NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12765 | 1tl4 | 6266 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -11.582 6.867 10.254 2 2H MET 1 H2 MET 1 -13.010 6.678 11.077 3 3H MET 1 H3 MET 1 -11.645 5.723 11.332 4 HA MET 1 HA MET 1 -13.393 4.575 10.072 5 1HB MET 1 2HB MET 1 -13.615 5.140 7.730 6 2HB MET 1 3HB MET 1 -13.942 6.565 8.693 7 1HG MET 1 2HG MET 1 -11.665 7.443 8.193 8 2HG MET 1 3HG MET 1 -11.327 5.973 7.271 9 1HE MET 1 1HE MET 1 -13.056 9.427 7.385 10 2HE MET 1 2HE MET 1 -14.103 9.397 5.950 11 3HE MET 1 3HE MET 1 -14.512 8.401 7.362 12 HA PRO 2 HA PRO 2 -9.347 2.731 9.032 13 1HB PRO 2 2HB PRO 2 -9.847 0.570 7.653 14 2HB PRO 2 3HB PRO 2 -10.802 0.877 9.121 15 1HG PRO 2 2HG PRO 2 -11.663 1.405 6.263 16 2HG PRO 2 3HG PRO 2 -12.597 0.632 7.570 17 1HD PRO 2 2HD PRO 2 -12.629 3.352 6.826 18 2HD PRO 2 3HD PRO 2 -13.240 2.716 8.384 19 H LYS 3 H LYS 3 -9.067 5.004 7.739 20 HA LYS 3 HA LYS 3 -8.308 4.438 4.912 21 1HB LYS 3 2HB LYS 3 -9.974 6.215 5.456 22 2HB LYS 3 3HB LYS 3 -8.723 7.053 6.376 23 1HG LYS 3 2HG LYS 3 -7.400 7.166 4.163 24 2HG LYS 3 3HG LYS 3 -8.862 6.508 3.393 25 1HD LYS 3 2HD LYS 3 -10.055 8.471 4.811 26 2HD LYS 3 3HD LYS 3 -8.432 9.146 4.840 27 1HE LYS 3 2HE LYS 3 -9.641 10.169 3.062 28 2HE LYS 3 3HE LYS 3 -8.449 9.109 2.290 29 1HZ LYS 3 1HZ LYS 3 -10.974 9.092 1.573 30 2HZ LYS 3 2HZ LYS 3 -10.162 7.673 1.605 31 3HZ LYS 3 3HZ LYS 3 -11.120 7.991 2.805 32 H HIS 4 H HIS 4 -6.178 4.368 4.475 33 HA HIS 4 HA HIS 4 -4.213 4.779 6.684 34 1HB HIS 4 2HB HIS 4 -4.788 2.259 5.066 35 2HB HIS 4 3HB HIS 4 -3.530 2.450 6.286 36 HD1 HIS 4 1HD HIS 4 -5.693 3.948 8.373 37 HD2 HIS 4 2HD HIS 4 -5.938 0.232 6.415 38 HE1 HIS 4 1HE HIS 4 -7.169 2.434 9.820 39 H GLU 5 H GLU 5 -2.851 6.261 5.707 40 HA GLU 5 HA GLU 5 -1.963 5.848 2.920 41 1HB GLU 5 2HB GLU 5 -2.323 8.176 3.729 42 2HB GLU 5 3HB GLU 5 -1.049 7.924 4.924 43 1HG GLU 5 2HG GLU 5 0.481 7.313 2.881 44 2HG GLU 5 3HG GLU 5 -0.812 7.987 1.888 45 H PHE 6 H PHE 6 -0.140 4.826 2.392 46 HA PHE 6 HA PHE 6 1.989 4.365 4.443 47 1HB PHE 6 2HB PHE 6 1.249 2.612 2.059 48 2HB PHE 6 3HB PHE 6 2.668 2.404 3.082 49 HD1 PHE 6 HD1 PHE 6 -1.103 2.512 3.246 50 HD2 PHE 6 HD2 PHE 6 2.543 0.981 4.990 51 HE1 PHE 6 HE1 PHE 6 -2.410 1.138 4.793 52 HE2 PHE 6 HE2 PHE 6 1.226 -0.558 6.368 53 HZ PHE 6 HZ PHE 6 -1.271 -0.426 6.366 54 H SER 7 H SER 7 3.861 5.306 3.867 55 HA SER 7 HA SER 7 4.169 6.304 1.071 56 1HB SER 7 2HB SER 7 4.691 7.877 2.930 57 2HB SER 7 3HB SER 7 6.015 6.802 3.413 58 HG SER 7 HG SER 7 6.826 7.122 1.216 59 H VAL 8 H VAL 8 5.733 5.356 -0.223 60 HA VAL 8 HA VAL 8 6.912 2.772 0.633 61 HB VAL 8 HB VAL 8 5.010 3.262 -1.715 62 1HG1 VAL 8 1HG1 VAL 8 6.582 1.578 -2.463 63 2HG1 VAL 8 2HG1 VAL 8 6.501 0.747 -0.883 64 3HG1 VAL 8 3HG1 VAL 8 5.119 0.745 -1.989 65 1HG2 VAL 8 1HG2 VAL 8 3.715 3.058 0.327 66 2HG2 VAL 8 2HG2 VAL 8 3.607 1.509 -0.507 67 3HG2 VAL 8 3HG2 VAL 8 4.703 1.682 0.867 68 H ASP 9 H ASP 9 8.300 2.072 -1.495 69 HA ASP 9 HA ASP 9 9.281 4.558 -2.817 70 1HB ASP 9 2HB ASP 9 11.101 3.378 -1.560 71 2HB ASP 9 3HB ASP 9 10.892 2.007 -2.675 72 H MET 10 H MET 10 8.277 4.707 -4.739 73 HA MET 10 HA MET 10 8.580 2.372 -6.508 74 1HB MET 10 2HB MET 10 6.356 4.420 -6.868 75 2HB MET 10 3HB MET 10 6.613 2.910 -7.753 76 1HG MET 10 2HG MET 10 4.819 2.474 -6.367 77 2HG MET 10 3HG MET 10 6.135 1.763 -5.430 78 1HE MET 10 1HE MET 10 3.144 3.646 -3.303 79 2HE MET 10 2HE MET 10 2.963 3.125 -4.986 80 3HE MET 10 3HE MET 10 3.688 2.016 -3.787 81 H THR 11 H THR 11 10.750 3.703 -6.368 82 HA THR 11 HA THR 11 10.754 6.078 -8.024 83 HB THR 11 HB THR 11 13.071 4.236 -7.342 84 HG1 THR 11 1HG THR 11 12.184 4.870 -5.480 85 1HG2 THR 11 1HG2 THR 11 14.383 6.366 -7.493 86 2HG2 THR 11 2HG2 THR 11 13.729 5.869 -9.056 87 3HG2 THR 11 3HG2 THR 11 12.949 7.183 -8.147 88 H CYS 12 HN CYS 12 10.310 2.768 -8.901 89 HA CYS 12 HA CYS 12 10.258 3.711 -11.663 90 1HB CYS 12 2HB CYS 12 10.965 1.427 -12.436 91 2HB CYS 12 3HB CYS 12 12.239 2.490 -11.840 92 H GLY 13 H GLY 13 8.512 3.064 -12.732 93 1HA GLY 13 2HA GLY 13 6.158 2.970 -11.427 94 2HA GLY 13 3HA GLY 13 6.354 2.379 -13.082 95 H GLY 14 H GLY 14 7.948 0.119 -12.572 96 1HA GLY 14 2HA GLY 14 6.069 -1.859 -12.281 97 2HA GLY 14 3HA GLY 14 7.812 -2.103 -12.051 98 H CYS 15 HN CYS 15 7.809 -0.225 -9.614 99 HA CYS 15 HA CYS 15 7.221 -2.210 -7.617 100 1HB CYS 15 2HB CYS 15 7.643 0.761 -7.496 101 2HB CYS 15 3HB CYS 15 7.512 -0.263 -6.059 102 H ALA 16 H ALA 16 5.283 0.487 -9.002 103 HA ALA 16 HA ALA 16 3.161 0.307 -7.025 104 1HB ALA 16 1HB ALA 16 3.336 2.308 -8.357 105 2HB ALA 16 2HB ALA 16 3.179 1.387 -9.876 106 3HB ALA 16 3HB ALA 16 1.822 1.479 -8.753 107 H GLU 17 H GLU 17 3.785 -1.122 -10.253 108 HA GLU 17 HA GLU 17 1.392 -2.608 -10.499 109 1HB GLU 17 2HB GLU 17 4.172 -3.391 -11.488 110 2HB GLU 17 3HB GLU 17 2.630 -4.013 -12.063 111 1HG GLU 17 2HG GLU 17 1.996 -1.794 -12.905 112 2HG GLU 17 3HG GLU 17 3.490 -1.083 -12.272 113 H ALA 18 H ALA 18 4.552 -3.540 -9.081 114 HA ALA 18 HA ALA 18 3.858 -6.128 -8.196 115 1HB ALA 18 1HB ALA 18 5.781 -4.144 -6.915 116 2HB ALA 18 2HB ALA 18 5.764 -5.898 -6.665 117 3HB ALA 18 3HB ALA 18 6.173 -5.234 -8.265 118 H VAL 19 H VAL 19 3.675 -2.967 -6.372 119 HA VAL 19 HA VAL 19 2.652 -4.027 -3.994 120 HB VAL 19 HB VAL 19 2.341 -1.347 -5.405 121 1HG1 VAL 19 1HG1 VAL 19 1.274 -2.384 -2.785 122 2HG1 VAL 19 2HG1 VAL 19 1.571 -0.636 -3.071 123 3HG1 VAL 19 3HG1 VAL 19 0.402 -1.491 -4.082 124 1HG2 VAL 19 1HG2 VAL 19 3.792 -1.886 -2.799 125 2HG2 VAL 19 2HG2 VAL 19 4.619 -2.147 -4.345 126 3HG2 VAL 19 3HG2 VAL 19 3.984 -0.545 -3.932 127 H SER 20 H SER 20 0.951 -2.889 -6.947 128 HA SER 20 HA SER 20 -1.669 -3.376 -5.959 129 1HB SER 20 2HB SER 20 -0.832 -2.205 -8.170 130 2HB SER 20 3HB SER 20 -0.871 -3.803 -8.889 131 HG SER 20 HG SER 20 -2.854 -2.687 -9.163 132 H ARG 21 H ARG 21 0.440 -5.515 -7.922 133 HA ARG 21 HA ARG 21 -1.198 -7.774 -7.828 134 1HB ARG 21 2HB ARG 21 0.416 -8.563 -9.071 135 2HB ARG 21 3HB ARG 21 1.329 -7.108 -8.826 136 1HG ARG 21 2HG ARG 21 2.540 -8.116 -6.929 137 2HG ARG 21 3HG ARG 21 1.603 -9.601 -7.105 138 1HD ARG 21 2HD ARG 21 2.507 -9.947 -9.357 139 2HD ARG 21 3HD ARG 21 3.277 -8.342 -9.327 140 HE ARG 21 HE ARG 21 4.266 -9.832 -7.131 141 1HH1 ARG 21 2HH2 ARG 21 4.442 -9.757 -10.651 142 2HH1 ARG 21 1HH2 ARG 21 6.040 -10.423 -10.758 143 1HH2 ARG 21 2HH1 ARG 21 6.408 -10.735 -7.224 144 2HH2 ARG 21 1HH1 ARG 21 7.175 -10.997 -8.754 145 H VAL 22 H VAL 22 0.750 -6.449 -5.215 146 HA VAL 22 HA VAL 22 0.453 -8.808 -3.543 147 HB VAL 22 HB VAL 22 2.098 -6.546 -3.523 148 1HG1 VAL 22 1HG1 VAL 22 0.626 -5.145 -2.071 149 2HG1 VAL 22 2HG1 VAL 22 0.380 -6.526 -0.977 150 3HG1 VAL 22 3HG1 VAL 22 1.955 -5.771 -1.139 151 1HG2 VAL 22 1HG2 VAL 22 2.650 -8.813 -2.899 152 2HG2 VAL 22 2HG2 VAL 22 3.102 -7.659 -1.620 153 3HG2 VAL 22 3HG2 VAL 22 1.630 -8.665 -1.438 154 H LEU 23 H LEU 23 -0.909 -5.533 -3.410 155 HA LEU 23 HA LEU 23 -2.675 -6.082 -1.217 156 1HB LEU 23 2HB LEU 23 -2.155 -3.871 -3.146 157 2HB LEU 23 3HB LEU 23 -3.762 -3.874 -2.526 158 HG LEU 23 HG LEU 23 -1.249 -4.049 -0.792 159 1HD1 LEU 23 1HD1 LEU 23 -1.476 -1.663 -0.494 160 2HD1 LEU 23 2HD1 LEU 23 -1.397 -1.959 -2.229 161 3HD1 LEU 23 3HD1 LEU 23 -2.975 -1.635 -1.468 162 1HD2 LEU 23 1HD2 LEU 23 -2.804 -3.317 1.001 163 2HD2 LEU 23 2HD2 LEU 23 -4.115 -3.224 -0.200 164 3HD2 LEU 23 3HD2 LEU 23 -3.448 -4.793 0.270 165 H ASN 24 H ASN 24 -3.255 -5.930 -4.782 166 HA ASN 24 HA ASN 24 -5.971 -6.318 -4.813 167 1HB ASN 24 2HB ASN 24 -4.501 -6.102 -6.862 168 2HB ASN 24 3HB ASN 24 -3.991 -7.769 -6.625 169 1HD2 ASN 24 1HD2 ASN 24 -7.267 -7.712 -5.633 170 2HD2 ASN 24 2HD2 ASN 24 -7.908 -8.188 -7.188 171 H LYS 25 H LYS 25 -3.433 -8.777 -4.316 172 HA LYS 25 HA LYS 25 -5.031 -11.093 -4.451 173 1HB LYS 25 2HB LYS 25 -2.430 -10.562 -4.213 174 2HB LYS 25 3HB LYS 25 -2.719 -10.968 -2.521 175 1HG LYS 25 2HG LYS 25 -3.757 -13.118 -3.258 176 2HG LYS 25 3HG LYS 25 -3.367 -12.741 -4.939 177 1HD LYS 25 2HD LYS 25 -1.308 -13.043 -2.689 178 2HD LYS 25 3HD LYS 25 -1.807 -14.324 -3.783 179 1HE LYS 25 2HE LYS 25 0.244 -13.533 -4.613 180 2HE LYS 25 3HE LYS 25 -0.992 -12.999 -5.756 181 1HZ LYS 25 1HZ LYS 25 0.800 -11.388 -5.061 182 2HZ LYS 25 2HZ LYS 25 -0.700 -10.778 -5.034 183 3HZ LYS 25 3HZ LYS 25 0.016 -11.234 -3.625 184 H LEU 26 H LEU 26 -4.569 -8.779 -1.878 185 HA LEU 26 HA LEU 26 -5.662 -10.211 0.344 186 1HB LEU 26 2HB LEU 26 -4.314 -8.032 0.255 187 2HB LEU 26 3HB LEU 26 -5.803 -7.237 -0.250 188 HG LEU 26 HG LEU 26 -5.346 -6.786 2.005 189 1HD1 LEU 26 1HD1 LEU 26 -7.653 -7.057 0.934 190 2HD1 LEU 26 2HD1 LEU 26 -7.774 -8.499 1.967 191 3HD1 LEU 26 3HD1 LEU 26 -7.486 -6.902 2.701 192 1HD2 LEU 26 1HD2 LEU 26 -5.829 -9.707 2.656 193 2HD2 LEU 26 2HD2 LEU 26 -4.252 -8.879 2.713 194 3HD2 LEU 26 3HD2 LEU 26 -5.573 -8.347 3.776 195 H GLY 27 H GLY 27 -7.081 -8.284 -2.313 196 1HA GLY 27 2HA GLY 27 -9.096 -8.826 -3.317 197 2HA GLY 27 3HA GLY 27 -9.712 -9.548 -1.836 198 H GLY 28 H GLY 28 -10.266 -8.052 -0.035 199 1HA GLY 28 2HA GLY 28 -12.281 -6.372 -1.021 200 2HA GLY 28 3HA GLY 28 -11.786 -6.497 0.668 201 H VAL 29 H VAL 29 -9.009 -5.557 -0.093 202 HA VAL 29 HA VAL 29 -9.187 -2.867 0.623 203 HB VAL 29 HB VAL 29 -6.882 -2.651 -0.299 204 1HG1 VAL 29 1HG1 VAL 29 -5.976 -4.872 0.883 205 2HG1 VAL 29 2HG1 VAL 29 -6.691 -3.516 1.788 206 3HG1 VAL 29 3HG1 VAL 29 -7.645 -4.956 1.456 207 1HG2 VAL 29 1HG2 VAL 29 -5.732 -4.407 -1.416 208 2HG2 VAL 29 2HG2 VAL 29 -7.137 -5.501 -1.331 209 3HG2 VAL 29 3HG2 VAL 29 -7.172 -4.064 -2.362 210 H LYS 30 H LYS 30 -9.109 -0.824 -0.559 211 HA LYS 30 HA LYS 30 -8.386 -1.110 -3.332 212 1HB LYS 30 2HB LYS 30 -10.871 0.398 -2.518 213 2HB LYS 30 3HB LYS 30 -9.849 1.011 -3.817 214 1HG LYS 30 2HG LYS 30 -11.187 -1.714 -3.760 215 2HG LYS 30 3HG LYS 30 -11.679 -0.305 -4.670 216 1HD LYS 30 2HD LYS 30 -10.557 -1.139 -6.401 217 2HD LYS 30 3HD LYS 30 -9.132 -0.455 -5.652 218 1HE LYS 30 2HE LYS 30 -8.964 -2.818 -6.564 219 2HE LYS 30 3HE LYS 30 -8.360 -2.604 -4.929 220 1HZ LYS 30 1HZ LYS 30 -11.056 -3.658 -5.479 221 2HZ LYS 30 2HZ LYS 30 -9.719 -4.595 -5.226 222 3HZ LYS 30 3HZ LYS 30 -10.226 -3.608 -4.043 223 H TYR 31 H TYR 31 -7.257 0.754 -4.072 224 HA TYR 31 HA TYR 31 -6.036 2.331 -1.952 225 1HB TYR 31 2HB TYR 31 -3.820 1.227 -2.502 226 2HB TYR 31 3HB TYR 31 -4.937 0.272 -1.544 227 HD1 TYR 31 HD1 TYR 31 -6.164 -1.677 -2.513 228 HD2 TYR 31 HD2 TYR 31 -2.991 0.362 -4.573 229 HE1 TYR 31 HE1 TYR 31 -6.092 -3.498 -4.219 230 HE2 TYR 31 HE2 TYR 31 -2.880 -1.490 -6.219 231 HH TYR 31 HH TYR 31 -3.838 -3.448 -6.967 232 H ASP 32 H ASP 32 -5.414 4.206 -2.753 233 HA ASP 32 HA ASP 32 -5.189 4.513 -5.710 234 1HB ASP 32 2HB ASP 32 -6.660 6.146 -4.601 235 2HB ASP 32 3HB ASP 32 -5.332 6.634 -3.535 236 H ILE 33 H ILE 33 -3.250 5.659 -6.438 237 HA ILE 33 HA ILE 33 -0.813 4.659 -4.997 238 HB ILE 33 HB ILE 33 -1.975 3.990 -7.715 239 1HG1 ILE 33 2HG1 ILE 33 -0.799 1.922 -5.855 240 2HG1 ILE 33 3HG1 ILE 33 -2.363 2.607 -5.414 241 1HG2 ILE 33 1HG2 ILE 33 0.860 3.502 -6.755 242 2HG2 ILE 33 2HG2 ILE 33 0.100 2.738 -8.177 243 3HG2 ILE 33 3HG2 ILE 33 0.337 4.482 -8.147 244 1HD1 ILE 33 1HD1 ILE 33 -2.640 0.587 -6.851 245 2HD1 ILE 33 2HD1 ILE 33 -3.415 2.025 -7.491 246 3HD1 ILE 33 3HD1 ILE 33 -1.875 1.449 -8.183 247 H ASP 34 H ASP 34 0.387 6.487 -4.805 248 HA ASP 34 HA ASP 34 0.507 8.412 -7.099 249 1HB ASP 34 2HB ASP 34 -0.100 9.390 -4.919 250 2HB ASP 34 3HB ASP 34 1.415 8.772 -4.236 251 H LEU 35 H LEU 35 2.166 8.026 -8.404 252 HA LEU 35 HA LEU 35 4.488 6.443 -7.575 253 1HB LEU 35 2HB LEU 35 3.621 7.724 -10.174 254 2HB LEU 35 3HB LEU 35 5.294 7.247 -9.899 255 HG LEU 35 HG LEU 35 2.851 5.403 -9.792 256 1HD1 LEU 35 1HD1 LEU 35 5.117 5.602 -11.828 257 2HD1 LEU 35 2HD1 LEU 35 3.770 4.449 -11.874 258 3HD1 LEU 35 3HD1 LEU 35 3.454 6.183 -12.079 259 1HD2 LEU 35 1HD2 LEU 35 4.504 4.419 -8.327 260 2HD2 LEU 35 2HD2 LEU 35 4.612 3.561 -9.858 261 3HD2 LEU 35 3HD2 LEU 35 5.826 4.789 -9.464 262 HA PRO 36 HA PRO 36 6.994 10.383 -8.429 263 1HB PRO 36 2HB PRO 36 5.775 12.876 -8.102 264 2HB PRO 36 3HB PRO 36 6.059 12.045 -9.657 265 1HG PRO 36 2HG PRO 36 3.543 12.025 -7.975 266 2HG PRO 36 3HG PRO 36 3.683 12.299 -9.737 267 1HD PRO 36 2HD PRO 36 2.989 9.901 -8.813 268 2HD PRO 36 3HD PRO 36 4.200 9.992 -10.122 269 H ASN 37 H ASN 37 4.362 10.577 -6.061 270 HA ASN 37 HA ASN 37 6.257 11.592 -3.966 271 1HB ASN 37 2HB ASN 37 3.255 11.222 -3.765 272 2HB ASN 37 3HB ASN 37 4.325 11.934 -2.572 273 1HD2 ASN 37 1HD2 ASN 37 2.305 12.686 -5.219 274 2HD2 ASN 37 2HD2 ASN 37 2.891 14.332 -5.466 275 H LYS 38 H LYS 38 5.408 8.672 -5.249 276 HA LYS 38 HA LYS 38 5.465 6.545 -4.628 277 1HB LYS 38 2HB LYS 38 7.650 7.626 -2.804 278 2HB LYS 38 3HB LYS 38 7.448 5.955 -3.361 279 1HG LYS 38 2HG LYS 38 7.599 6.732 -5.718 280 2HG LYS 38 3HG LYS 38 7.957 8.368 -5.166 281 1HD LYS 38 2HD LYS 38 9.708 5.928 -4.574 282 2HD LYS 38 3HD LYS 38 9.895 6.997 -5.955 283 1HE LYS 38 2HE LYS 38 10.446 8.862 -4.527 284 2HE LYS 38 3HE LYS 38 10.064 7.930 -3.062 285 1HZ LYS 38 1HZ LYS 38 11.870 6.489 -3.476 286 2HZ LYS 38 2HZ LYS 38 12.136 7.020 -4.961 287 3HZ LYS 38 3HZ LYS 38 12.486 8.003 -3.665 288 H LYS 39 H LYS 39 3.205 6.775 -3.734 289 HA LYS 39 HA LYS 39 3.096 5.983 -0.893 290 1HB LYS 39 2HB LYS 39 2.037 8.547 -2.095 291 2HB LYS 39 3HB LYS 39 1.077 7.762 -0.847 292 1HG LYS 39 2HG LYS 39 2.645 8.083 0.826 293 2HG LYS 39 3HG LYS 39 3.986 8.126 -0.334 294 1HD LYS 39 2HD LYS 39 3.074 10.361 -1.161 295 2HD LYS 39 3HD LYS 39 1.958 10.318 0.214 296 1HE LYS 39 2HE LYS 39 4.012 11.653 0.659 297 2HE LYS 39 3HE LYS 39 3.806 10.318 1.803 298 1HZ LYS 39 1HZ LYS 39 5.518 9.123 0.777 299 2HZ LYS 39 2HZ LYS 39 5.492 10.016 -0.603 300 3HZ LYS 39 3HZ LYS 39 6.094 10.653 0.801 301 H VAL 40 H VAL 40 1.176 4.998 -0.278 302 HA VAL 40 HA VAL 40 -0.752 4.350 -2.416 303 HB VAL 40 HB VAL 40 0.061 2.463 -0.167 304 1HG1 VAL 40 1HG1 VAL 40 -1.424 2.036 -2.795 305 2HG1 VAL 40 2HG1 VAL 40 -1.218 0.855 -1.479 306 3HG1 VAL 40 3HG1 VAL 40 -2.208 2.318 -1.233 307 1HG2 VAL 40 1HG2 VAL 40 2.003 2.695 -1.648 308 2HG2 VAL 40 2HG2 VAL 40 1.220 1.131 -1.850 309 3HG2 VAL 40 3HG2 VAL 40 0.963 2.404 -3.072 310 H CYS 41 H CYS 41 -2.684 5.191 -1.796 311 HA CYS 41 HA CYS 41 -3.281 5.708 1.115 312 1HB CYS 41 2HB CYS 41 -4.463 6.811 -1.458 313 2HB CYS 41 3HB CYS 41 -5.171 7.063 0.148 314 HG CYS 41 HG CYS 41 -3.906 9.212 -0.669 315 H ILE 42 H ILE 42 -3.926 3.763 1.872 316 HA ILE 42 HA ILE 42 -5.701 2.212 0.140 317 HB ILE 42 HB ILE 42 -4.569 1.295 2.801 318 1HG1 ILE 42 2HG1 ILE 42 -3.419 0.994 0.012 319 2HG1 ILE 42 3HG1 ILE 42 -2.714 1.917 1.360 320 1HG2 ILE 42 1HG2 ILE 42 -5.094 -0.981 1.640 321 2HG2 ILE 42 2HG2 ILE 42 -6.490 0.017 2.037 322 3HG2 ILE 42 3HG2 ILE 42 -5.879 -0.060 0.386 323 1HD1 ILE 42 1HD1 ILE 42 -2.194 -0.089 2.585 324 2HD1 ILE 42 2HD1 ILE 42 -2.911 -1.086 1.294 325 3HD1 ILE 42 3HD1 ILE 42 -1.501 -0.077 0.983 326 H GLU 43 H GLU 43 -7.838 1.754 0.663 327 HA GLU 43 HA GLU 43 -8.877 2.751 3.250 328 1HB GLU 43 2HB GLU 43 -9.143 4.410 1.361 329 2HB GLU 43 3HB GLU 43 -10.279 3.300 0.591 330 1HG GLU 43 2HG GLU 43 -11.903 3.636 2.298 331 2HG GLU 43 3HG GLU 43 -10.687 4.122 3.492 332 H SER 44 H SER 44 -9.736 1.005 4.213 333 HA SER 44 HA SER 44 -10.684 -1.308 2.602 334 1HB SER 44 2HB SER 44 -8.283 -1.499 2.412 335 2HB SER 44 3HB SER 44 -8.055 -1.084 4.126 336 HG SER 44 HG SER 44 -8.460 -3.018 4.686 337 H GLU 45 H GLU 45 -12.118 -2.502 3.784 338 HA GLU 45 HA GLU 45 -12.736 -1.959 6.519 339 1HB GLU 45 2HB GLU 45 -13.986 -4.087 6.404 340 2HB GLU 45 3HB GLU 45 -14.349 -3.004 5.056 341 1HG GLU 45 2HG GLU 45 -12.777 -4.344 3.605 342 2HG GLU 45 3HG GLU 45 -12.534 -5.445 4.975 343 H HIS 46 H HIS 46 -10.349 -4.010 4.921 344 HA HIS 46 HA HIS 46 -9.612 -5.532 7.289 345 1HB HIS 46 2HB HIS 46 -7.917 -5.056 4.806 346 2HB HIS 46 3HB HIS 46 -7.766 -6.325 6.001 347 HD1 HIS 46 1HD HIS 46 -8.698 -8.546 5.191 348 HD2 HIS 46 2HD HIS 46 -10.206 -5.185 3.177 349 HE1 HIS 46 1HE HIS 46 -9.796 -9.384 3.071 350 H SER 47 H SER 47 -8.339 -4.789 8.911 351 HA SER 47 HA SER 47 -7.828 -2.051 9.181 352 1HB SER 47 2HB SER 47 -6.788 -2.642 11.291 353 2HB SER 47 3HB SER 47 -8.201 -3.661 11.033 354 HG SER 47 HG SER 47 -6.567 -5.237 10.124 355 H MET 48 H MET 48 -5.937 -0.849 9.502 356 HA MET 48 HA MET 48 -3.789 -0.973 7.841 357 1HB MET 48 2HB MET 48 -2.615 0.478 9.194 358 2HB MET 48 3HB MET 48 -4.311 0.893 9.415 359 1HG MET 48 2HG MET 48 -2.580 -0.730 11.280 360 2HG MET 48 3HG MET 48 -3.046 0.953 11.510 361 1HE MET 48 1HE MET 48 -4.868 -1.006 14.406 362 2HE MET 48 2HE MET 48 -3.316 -1.459 13.664 363 3HE MET 48 3HE MET 48 -3.671 0.253 14.017 364 H ASP 49 H ASP 49 -4.134 -2.961 10.791 365 HA ASP 49 HA ASP 49 -1.390 -3.898 10.822 366 1HB ASP 49 2HB ASP 49 -2.719 -4.189 12.803 367 2HB ASP 49 3HB ASP 49 -3.985 -5.060 11.918 368 H THR 50 H THR 50 -4.422 -5.376 9.666 369 HA THR 50 HA THR 50 -3.414 -7.631 8.409 370 HB THR 50 HB THR 50 -5.735 -6.013 7.292 371 HG1 THR 50 1HG THR 50 -5.545 -7.302 9.800 372 1HG2 THR 50 1HG2 THR 50 -5.354 -8.987 7.888 373 2HG2 THR 50 2HG2 THR 50 -6.792 -8.248 7.162 374 3HG2 THR 50 3HG2 THR 50 -5.247 -8.230 6.284 375 H LEU 51 H LEU 51 -3.859 -4.327 7.140 376 HA LEU 51 HA LEU 51 -2.906 -4.792 4.488 377 1HB LEU 51 2HB LEU 51 -2.693 -2.253 6.163 378 2HB LEU 51 3HB LEU 51 -2.367 -2.417 4.444 379 HG LEU 51 HG LEU 51 -5.007 -2.402 5.909 380 1HD1 LEU 51 1HD1 LEU 51 -3.876 -1.172 3.384 381 2HD1 LEU 51 2HD1 LEU 51 -5.489 -0.817 4.061 382 3HD1 LEU 51 3HD1 LEU 51 -4.026 -0.366 4.951 383 1HD2 LEU 51 1HD2 LEU 51 -4.620 -3.607 3.138 384 2HD2 LEU 51 2HD2 LEU 51 -5.208 -4.472 4.584 385 3HD2 LEU 51 3HD2 LEU 51 -6.165 -3.162 3.905 386 H LEU 52 H LEU 52 -1.145 -3.429 7.340 387 HA LEU 52 HA LEU 52 1.342 -3.049 6.323 388 1HB LEU 52 2HB LEU 52 0.322 -3.782 9.020 389 2HB LEU 52 3HB LEU 52 1.945 -4.340 8.650 390 HG LEU 52 HG LEU 52 2.413 -1.873 7.897 391 1HD1 LEU 52 1HD1 LEU 52 0.118 -1.501 9.893 392 2HD1 LEU 52 2HD1 LEU 52 1.141 -0.225 9.214 393 3HD1 LEU 52 3HD1 LEU 52 0.023 -1.113 8.167 394 1HD2 LEU 52 1HD2 LEU 52 2.096 -2.747 10.783 395 2HD2 LEU 52 2HD2 LEU 52 3.504 -3.021 9.728 396 3HD2 LEU 52 3HD2 LEU 52 3.077 -1.371 10.219 397 H ALA 53 H ALA 53 0.313 -6.181 7.822 398 HA ALA 53 HA ALA 53 2.794 -7.397 7.047 399 1HB ALA 53 1HB ALA 53 0.139 -8.717 7.835 400 2HB ALA 53 2HB ALA 53 1.730 -9.510 7.839 401 3HB ALA 53 3HB ALA 53 1.398 -8.178 8.966 402 H THR 54 H THR 54 -0.132 -6.893 5.146 403 HA THR 54 HA THR 54 0.597 -8.902 3.162 404 HB THR 54 HB THR 54 -1.381 -6.585 3.045 405 HG1 THR 54 1HG THR 54 -2.031 -7.937 4.668 406 1HG2 THR 54 1HG2 THR 54 -0.733 -7.508 0.857 407 2HG2 THR 54 2HG2 THR 54 -1.110 -9.150 1.445 408 3HG2 THR 54 3HG2 THR 54 -2.393 -7.927 1.304 409 H LEU 55 H LEU 55 0.809 -5.344 3.598 410 HA LEU 55 HA LEU 55 1.748 -4.827 0.954 411 1HB LEU 55 2HB LEU 55 0.823 -3.393 3.253 412 2HB LEU 55 3HB LEU 55 2.422 -2.745 2.865 413 HG LEU 55 HG LEU 55 -0.188 -2.657 1.399 414 1HD1 LEU 55 1HD1 LEU 55 0.314 -0.895 2.973 415 2HD1 LEU 55 2HD1 LEU 55 1.950 -0.666 2.319 416 3HD1 LEU 55 3HD1 LEU 55 0.569 -0.191 1.360 417 1HD2 LEU 55 1HD2 LEU 55 1.233 -3.261 -0.422 418 2HD2 LEU 55 2HD2 LEU 55 0.975 -1.517 -0.475 419 3HD2 LEU 55 3HD2 LEU 55 2.528 -2.159 0.136 420 H LYS 56 H LYS 56 3.241 -5.265 4.102 421 HA LYS 56 HA LYS 56 5.937 -4.820 3.727 422 1HB LYS 56 2HB LYS 56 4.358 -6.865 5.327 423 2HB LYS 56 3HB LYS 56 6.127 -6.850 5.325 424 1HG LYS 56 2HG LYS 56 6.253 -4.651 6.153 425 2HG LYS 56 3HG LYS 56 4.571 -4.302 5.879 426 1HD LYS 56 2HD LYS 56 5.001 -4.411 8.192 427 2HD LYS 56 3HD LYS 56 4.001 -5.793 7.831 428 1HE LYS 56 2HE LYS 56 7.060 -5.865 8.116 429 2HE LYS 56 3HE LYS 56 5.944 -6.132 9.459 430 1HZ LYS 56 1HZ LYS 56 6.070 -7.805 7.050 431 2HZ LYS 56 2HZ LYS 56 6.691 -8.183 8.524 432 3HZ LYS 56 3HZ LYS 56 5.066 -8.030 8.337 433 H LYS 57 H LYS 57 4.041 -7.506 2.319 434 HA LYS 57 HA LYS 57 6.335 -9.168 1.853 435 1HB LYS 57 2HB LYS 57 3.707 -9.189 0.338 436 2HB LYS 57 3HB LYS 57 4.927 -10.472 0.417 437 1HG LYS 57 2HG LYS 57 4.570 -10.463 2.968 438 2HG LYS 57 3HG LYS 57 3.151 -9.449 2.655 439 1HD LYS 57 2HD LYS 57 2.518 -11.351 0.926 440 2HD LYS 57 3HD LYS 57 3.652 -12.328 1.858 441 1HE LYS 57 2HE LYS 57 0.997 -11.099 2.686 442 2HE LYS 57 3HE LYS 57 1.510 -12.782 2.784 443 1HZ LYS 57 1HZ LYS 57 3.062 -12.070 4.550 444 2HZ LYS 57 2HZ LYS 57 2.412 -10.546 4.495 445 3HZ LYS 57 3HZ LYS 57 1.482 -11.818 4.932 446 H THR 58 H THR 58 5.359 -6.231 0.269 447 HA THR 58 HA THR 58 6.763 -6.700 -2.265 448 HB THR 58 HB THR 58 6.621 -4.335 -2.535 449 HG1 THR 58 1HG THR 58 5.491 -4.122 0.064 450 1HG2 THR 58 1HG2 THR 58 4.195 -3.994 -2.273 451 2HG2 THR 58 2HG2 THR 58 4.576 -5.593 -2.960 452 3HG2 THR 58 3HG2 THR 58 4.102 -5.430 -1.254 453 H GLY 59 H GLY 59 7.636 -5.797 1.009 454 1HA GLY 59 2HA GLY 59 9.465 -5.104 1.989 455 2HA GLY 59 3HA GLY 59 10.373 -6.173 0.892 456 H LYS 60 H LYS 60 8.490 -3.229 0.047 457 HA LYS 60 HA LYS 60 10.949 -1.860 -0.909 458 1HB LYS 60 2HB LYS 60 8.184 -0.694 -0.578 459 2HB LYS 60 3HB LYS 60 9.484 -0.067 -1.585 460 1HG LYS 60 2HG LYS 60 7.752 -2.497 -2.073 461 2HG LYS 60 3HG LYS 60 7.814 -1.011 -3.008 462 1HD LYS 60 2HD LYS 60 9.909 -3.221 -2.892 463 2HD LYS 60 3HD LYS 60 8.897 -2.729 -4.251 464 1HE LYS 60 2HE LYS 60 10.042 -0.356 -3.959 465 2HE LYS 60 3HE LYS 60 11.269 -1.229 -3.036 466 1HZ LYS 60 1HZ LYS 60 11.958 -1.050 -5.239 467 2HZ LYS 60 2HZ LYS 60 11.495 -2.630 -5.099 468 3HZ LYS 60 3HZ LYS 60 10.526 -1.504 -5.856 469 H THR 61 H THR 61 10.928 0.611 -0.068 470 HA THR 61 HA THR 61 11.213 0.681 2.773 471 HB THR 61 HB THR 61 10.939 2.990 0.929 472 HG1 THR 61 1HG THR 61 13.200 1.306 1.209 473 1HG2 THR 61 1HG2 THR 61 12.787 2.490 3.313 474 2HG2 THR 61 2HG2 THR 61 12.734 3.972 2.336 475 3HG2 THR 61 3HG2 THR 61 11.336 3.515 3.324 476 H VAL 62 H VAL 62 8.869 -0.314 2.833 477 HA VAL 62 HA VAL 62 6.693 1.610 2.586 478 HB VAL 62 HB VAL 62 6.258 -0.660 2.019 479 1HG1 VAL 62 1HG1 VAL 62 7.777 -1.880 3.572 480 2HG1 VAL 62 2HG1 VAL 62 6.724 -1.427 4.932 481 3HG1 VAL 62 3HG1 VAL 62 6.109 -2.465 3.639 482 1HG2 VAL 62 1HG2 VAL 62 4.755 0.053 4.571 483 2HG2 VAL 62 2HG2 VAL 62 4.428 0.747 2.970 484 3HG2 VAL 62 3HG2 VAL 62 4.192 -0.986 3.251 485 H SER 63 H SER 63 6.015 2.987 4.097 486 HA SER 63 HA SER 63 6.542 2.475 6.974 487 1HB SER 63 2HB SER 63 8.307 4.009 6.087 488 2HB SER 63 3HB SER 63 7.034 5.120 5.537 489 HG SER 63 HG SER 63 7.629 4.327 8.207 490 H TYR 64 H TYR 64 4.690 2.771 8.087 491 HA TYR 64 HA TYR 64 2.305 3.549 6.571 492 1HB TYR 64 2HB TYR 64 2.281 1.447 7.832 493 2HB TYR 64 3HB TYR 64 2.639 2.317 9.326 494 HD1 TYR 64 HD1 TYR 64 0.190 2.980 6.520 495 HD2 TYR 64 HD2 TYR 64 0.721 2.206 10.730 496 HE1 TYR 64 HE1 TYR 64 -1.990 3.962 6.985 497 HE2 TYR 64 HE2 TYR 64 -1.606 2.945 11.139 498 HH TYR 64 HH TYR 64 -3.109 4.993 8.952 499 H LEU 65 H LEU 65 1.192 5.410 6.892 500 HA LEU 65 HA LEU 65 2.190 7.386 8.874 501 1HB LEU 65 2HB LEU 65 0.650 7.715 6.304 502 2HB LEU 65 3HB LEU 65 0.850 8.982 7.513 503 HG LEU 65 HG LEU 65 3.439 8.301 7.350 504 1HD1 LEU 65 1HD1 LEU 65 2.418 7.680 4.553 505 2HD1 LEU 65 2HD1 LEU 65 4.110 7.759 5.109 506 3HD1 LEU 65 3HD1 LEU 65 3.050 6.480 5.699 507 1HD2 LEU 65 1HD2 LEU 65 1.961 10.072 5.385 508 2HD2 LEU 65 2HD2 LEU 65 2.553 10.504 7.010 509 3HD2 LEU 65 3HD2 LEU 65 3.710 10.114 5.717 510 H GLY 66 H GLY 66 0.029 8.883 9.385 511 1HA GLY 66 2HA GLY 66 -1.205 7.549 11.465 512 2HA GLY 66 3HA GLY 66 -1.821 9.024 10.705 513 H LEU 67 H LEU 67 -3.585 7.369 11.852 514 HA LEU 67 HA LEU 67 -4.986 5.823 9.743 515 1HB LEU 67 2HB LEU 67 -4.467 4.683 11.840 516 2HB LEU 67 3HB LEU 67 -5.227 5.959 12.794 517 HG LEU 67 HG LEU 67 -6.855 4.612 10.670 518 1HD1 LEU 67 1HD1 LEU 67 -6.210 3.361 13.385 519 2HD1 LEU 67 2HD1 LEU 67 -7.436 2.761 12.251 520 3HD1 LEU 67 3HD1 LEU 67 -5.721 2.718 11.804 521 1HD2 LEU 67 1HD2 LEU 67 -7.917 6.416 12.030 522 2HD2 LEU 67 2HD2 LEU 67 -8.673 4.857 12.349 523 3HD2 LEU 67 3HD2 LEU 67 -7.514 5.530 13.511 524 H GLU 68 H GLU 68 -6.832 6.713 8.894 525 HA GLU 68 HA GLU 68 -8.135 8.983 10.330 526 1HB GLU 68 2HB GLU 68 -7.287 9.997 8.409 527 2HB GLU 68 3HB GLU 68 -7.539 8.579 7.398 528 1HG GLU 68 2HG GLU 68 -9.106 10.394 6.842 529 2HG GLU 68 3HG GLU 68 -9.972 8.962 7.412 Start of MODEL 2 1 1H MET 1 H1 MET 1 -12.230 1.742 5.316 2 2H MET 1 H2 MET 1 -12.800 2.677 4.035 3 3H MET 1 H3 MET 1 -11.754 3.291 5.050 4 HA MET 1 HA MET 1 -14.162 3.923 5.237 5 1HB MET 1 2HB MET 1 -14.959 1.638 5.607 6 2HB MET 1 3HB MET 1 -14.084 1.533 7.134 7 1HG MET 1 2HG MET 1 -15.364 3.477 7.997 8 2HG MET 1 3HG MET 1 -16.271 3.552 6.483 9 1HE MET 1 1HE MET 1 -18.448 0.295 6.676 10 2HE MET 1 2HE MET 1 -18.108 1.782 5.762 11 3HE MET 1 3HE MET 1 -16.905 0.472 5.832 12 HA PRO 2 HA PRO 2 -10.918 5.433 8.288 13 1HB PRO 2 2HB PRO 2 -8.793 3.831 8.646 14 2HB PRO 2 3HB PRO 2 -10.119 3.863 9.865 15 1HG PRO 2 2HG PRO 2 -9.627 1.857 7.632 16 2HG PRO 2 3HG PRO 2 -10.057 1.504 9.328 17 1HD PRO 2 2HD PRO 2 -11.883 1.529 7.326 18 2HD PRO 2 3HD PRO 2 -12.312 2.095 8.957 19 H LYS 3 H LYS 3 -8.704 5.942 7.423 20 HA LYS 3 HA LYS 3 -8.094 4.835 4.721 21 1HB LYS 3 2HB LYS 3 -9.003 7.075 4.502 22 2HB LYS 3 3HB LYS 3 -7.913 7.699 5.727 23 1HG LYS 3 2HG LYS 3 -6.517 6.412 3.406 24 2HG LYS 3 3HG LYS 3 -7.554 7.773 2.972 25 1HD LYS 3 2HD LYS 3 -6.523 9.167 4.718 26 2HD LYS 3 3HD LYS 3 -5.391 7.858 5.111 27 1HE LYS 3 2HE LYS 3 -4.384 8.040 2.866 28 2HE LYS 3 3HE LYS 3 -5.562 9.285 2.408 29 1HZ LYS 3 1HZ LYS 3 -3.730 9.595 4.698 30 2HZ LYS 3 2HZ LYS 3 -3.342 10.178 3.214 31 3HZ LYS 3 3HZ LYS 3 -4.659 10.718 4.133 32 H HIS 4 H HIS 4 -5.926 4.420 4.362 33 HA HIS 4 HA HIS 4 -4.075 4.560 6.717 34 1HB HIS 4 2HB HIS 4 -4.646 2.180 4.916 35 2HB HIS 4 3HB HIS 4 -3.408 2.249 6.167 36 HD1 HIS 4 1HD HIS 4 -5.868 3.720 8.130 37 HD2 HIS 4 2HD HIS 4 -5.664 0.006 6.159 38 HE1 HIS 4 1HE HIS 4 -7.396 2.101 9.412 39 H GLU 5 H GLU 5 -2.644 6.076 5.889 40 HA GLU 5 HA GLU 5 -1.865 5.847 3.045 41 1HB GLU 5 2HB GLU 5 -2.389 8.048 4.119 42 2HB GLU 5 3HB GLU 5 -0.878 7.927 5.012 43 1HG GLU 5 2HG GLU 5 0.380 7.751 2.875 44 2HG GLU 5 3HG GLU 5 -1.135 7.754 1.967 45 H PHE 6 H PHE 6 -0.039 4.939 2.396 46 HA PHE 6 HA PHE 6 2.163 4.402 4.355 47 1HB PHE 6 2HB PHE 6 1.188 2.771 2.000 48 2HB PHE 6 3HB PHE 6 2.731 2.533 2.803 49 HD1 PHE 6 1HD PHE 6 -1.017 2.554 3.566 50 HD2 PHE 6 2HD PHE 6 2.880 1.087 4.741 51 HE1 PHE 6 1HE PHE 6 -2.039 0.706 4.797 52 HE2 PHE 6 2HE PHE 6 1.880 -0.987 5.430 53 HZ PHE 6 HZ PHE 6 -0.638 -1.239 5.425 54 H SER 7 H SER 7 4.012 5.418 3.805 55 HA SER 7 HA SER 7 4.302 6.528 1.039 56 1HB SER 7 2HB SER 7 4.445 8.120 2.930 57 2HB SER 7 3HB SER 7 5.890 7.308 3.515 58 HG SER 7 HG SER 7 6.813 7.804 1.405 59 H VAL 8 H VAL 8 5.933 5.700 -0.193 60 HA VAL 8 HA VAL 8 7.256 3.250 0.873 61 HB VAL 8 HB VAL 8 5.570 3.390 -1.659 62 1HG1 VAL 8 1HG1 VAL 8 6.663 1.092 0.016 63 2HG1 VAL 8 2HG1 VAL 8 5.426 0.871 -1.236 64 3HG1 VAL 8 3HG1 VAL 8 7.013 1.435 -1.687 65 1HG2 VAL 8 1HG2 VAL 8 4.685 2.612 1.138 66 2HG2 VAL 8 2HG2 VAL 8 3.966 3.825 0.051 67 3HG2 VAL 8 3HG2 VAL 8 3.822 2.116 -0.324 68 H ASP 9 H ASP 9 8.584 2.322 -1.012 69 HA ASP 9 HA ASP 9 9.879 4.431 -2.701 70 1HB ASP 9 2HB ASP 9 11.664 3.119 -1.905 71 2HB ASP 9 3HB ASP 9 10.743 1.615 -2.015 72 H MET 10 H MET 10 8.643 4.733 -4.414 73 HA MET 10 HA MET 10 8.192 2.402 -6.048 74 1HB MET 10 2HB MET 10 5.963 4.471 -5.833 75 2HB MET 10 3HB MET 10 6.021 3.063 -6.918 76 1HG MET 10 2HG MET 10 6.116 1.575 -4.900 77 2HG MET 10 3HG MET 10 5.821 2.998 -3.896 78 1HE MET 10 1HE MET 10 2.160 3.935 -5.040 79 2HE MET 10 2HE MET 10 3.563 4.410 -4.056 80 3HE MET 10 3HE MET 10 3.634 4.526 -5.835 81 H THR 11 H THR 11 10.352 3.523 -6.305 82 HA THR 11 HA THR 11 10.387 6.007 -7.717 83 HB THR 11 HB THR 11 12.796 5.160 -8.269 84 HG1 THR 11 1HG THR 11 12.149 3.337 -6.189 85 1HG2 THR 11 1HG2 THR 11 11.818 5.568 -5.410 86 2HG2 THR 11 2HG2 THR 11 13.514 5.626 -5.931 87 3HG2 THR 11 3HG2 THR 11 12.358 6.820 -6.548 88 H CYS 12 HN CYS 12 9.616 2.820 -8.922 89 HA CYS 12 HA CYS 12 9.175 4.131 -11.496 90 1HB CYS 12 2HB CYS 12 9.957 2.078 -12.718 91 2HB CYS 12 3HB CYS 12 11.232 3.081 -12.032 92 H GLY 13 H GLY 13 7.569 3.135 -12.708 93 1HA GLY 13 2HA GLY 13 5.137 2.545 -11.703 94 2HA GLY 13 3HA GLY 13 5.740 1.843 -13.199 95 H GLY 14 H GLY 14 7.611 0.126 -12.490 96 1HA GLY 14 2HA GLY 14 6.360 -2.199 -12.042 97 2HA GLY 14 3HA GLY 14 8.083 -1.922 -11.665 98 H CYS 15 HN CYS 15 7.675 -0.115 -9.421 99 HA CYS 15 HA CYS 15 7.336 -2.105 -7.338 100 1HB CYS 15 2HB CYS 15 7.401 0.903 -7.284 101 2HB CYS 15 3HB CYS 15 7.544 -0.137 -5.848 102 H ALA 16 H ALA 16 5.287 0.455 -8.764 103 HA ALA 16 HA ALA 16 3.165 0.215 -6.793 104 1HB ALA 16 1HB ALA 16 1.899 1.589 -8.333 105 2HB ALA 16 2HB ALA 16 3.525 2.269 -8.107 106 3HB ALA 16 3HB ALA 16 3.117 1.387 -9.601 107 H GLU 17 H GLU 17 3.819 -1.080 -10.062 108 HA GLU 17 HA GLU 17 1.448 -2.601 -10.375 109 1HB GLU 17 2HB GLU 17 4.289 -3.146 -11.321 110 2HB GLU 17 3HB GLU 17 2.861 -3.979 -11.927 111 1HG GLU 17 2HG GLU 17 1.998 -2.033 -12.966 112 2HG GLU 17 3HG GLU 17 3.026 -0.935 -12.043 113 H ALA 18 H ALA 18 4.609 -3.541 -8.926 114 HA ALA 18 HA ALA 18 3.914 -6.140 -8.092 115 1HB ALA 18 1HB ALA 18 5.761 -5.925 -6.493 116 2HB ALA 18 2HB ALA 18 6.222 -5.257 -8.075 117 3HB ALA 18 3HB ALA 18 5.798 -4.172 -6.732 118 H VAL 19 H VAL 19 3.693 -3.023 -6.219 119 HA VAL 19 HA VAL 19 2.576 -4.081 -3.895 120 HB VAL 19 HB VAL 19 2.384 -1.396 -5.309 121 1HG1 VAL 19 1HG1 VAL 19 1.032 -2.372 -2.809 122 2HG1 VAL 19 2HG1 VAL 19 1.384 -0.632 -3.081 123 3HG1 VAL 19 3HG1 VAL 19 0.319 -1.485 -4.198 124 1HG2 VAL 19 1HG2 VAL 19 3.598 -2.078 -2.607 125 2HG2 VAL 19 2HG2 VAL 19 4.542 -2.121 -4.112 126 3HG2 VAL 19 3HG2 VAL 19 3.810 -0.604 -3.561 127 H SER 20 H SER 20 0.980 -2.919 -6.892 128 HA SER 20 HA SER 20 -1.671 -3.307 -6.018 129 1HB SER 20 2HB SER 20 -0.668 -2.212 -8.226 130 2HB SER 20 3HB SER 20 -0.792 -3.826 -8.909 131 HG SER 20 HG SER 20 -2.671 -2.586 -9.295 132 H ARG 21 H ARG 21 0.471 -5.546 -7.775 133 HA ARG 21 HA ARG 21 -1.234 -7.790 -7.767 134 1HB ARG 21 2HB ARG 21 0.501 -8.597 -8.828 135 2HB ARG 21 3HB ARG 21 1.487 -7.230 -8.368 136 1HG ARG 21 2HG ARG 21 2.263 -8.400 -6.344 137 2HG ARG 21 3HG ARG 21 1.259 -9.804 -6.754 138 1HD ARG 21 2HD ARG 21 2.503 -10.112 -8.845 139 2HD ARG 21 3HD ARG 21 3.400 -8.599 -8.560 140 HE ARG 21 HE ARG 21 3.785 -10.333 -6.339 141 1HH1 ARG 21 2HH2 ARG 21 4.683 -10.026 -9.732 142 2HH1 ARG 21 1HH2 ARG 21 6.221 -10.815 -9.579 143 1HH2 ARG 21 2HH1 ARG 21 5.837 -11.397 -6.080 144 2HH2 ARG 21 1HH1 ARG 21 6.880 -11.624 -7.444 145 H VAL 22 H VAL 22 0.907 -6.621 -5.171 146 HA VAL 22 HA VAL 22 0.537 -8.837 -3.417 147 HB VAL 22 HB VAL 22 2.082 -6.454 -3.541 148 1HG1 VAL 22 1HG1 VAL 22 0.675 -6.578 -0.846 149 2HG1 VAL 22 2HG1 VAL 22 2.114 -5.641 -1.254 150 3HG1 VAL 22 3HG1 VAL 22 0.594 -5.230 -2.009 151 1HG2 VAL 22 1HG2 VAL 22 2.088 -8.618 -1.450 152 2HG2 VAL 22 2HG2 VAL 22 2.918 -8.663 -3.033 153 3HG2 VAL 22 3HG2 VAL 22 3.393 -7.462 -1.815 154 H LEU 23 H LEU 23 -1.007 -5.688 -3.616 155 HA LEU 23 HA LEU 23 -2.748 -6.107 -1.320 156 1HB LEU 23 2HB LEU 23 -2.250 -3.976 -3.371 157 2HB LEU 23 3HB LEU 23 -3.795 -3.919 -2.621 158 HG LEU 23 HG LEU 23 -1.107 -4.020 -1.143 159 1HD1 LEU 23 1HD1 LEU 23 -2.966 -1.666 -1.572 160 2HD1 LEU 23 2HD1 LEU 23 -1.363 -1.647 -0.791 161 3HD1 LEU 23 3HD1 LEU 23 -1.496 -1.932 -2.536 162 1HD2 LEU 23 1HD2 LEU 23 -2.548 -3.137 0.746 163 2HD2 LEU 23 2HD2 LEU 23 -3.959 -3.477 -0.291 164 3HD2 LEU 23 3HD2 LEU 23 -2.938 -4.803 0.305 165 H ASN 24 H ASN 24 -3.159 -6.359 -4.874 166 HA ASN 24 HA ASN 24 -5.902 -7.057 -4.834 167 1HB ASN 24 2HB ASN 24 -4.660 -6.633 -6.906 168 2HB ASN 24 3HB ASN 24 -3.690 -8.091 -6.652 169 1HD2 ASN 24 1HD2 ASN 24 -6.918 -8.782 -5.603 170 2HD2 ASN 24 2HD2 ASN 24 -7.452 -9.450 -7.131 171 H LYS 25 H LYS 25 -2.930 -9.065 -4.350 172 HA LYS 25 HA LYS 25 -4.329 -11.447 -3.816 173 1HB LYS 25 2HB LYS 25 -1.603 -10.585 -3.697 174 2HB LYS 25 3HB LYS 25 -1.959 -11.326 -2.145 175 1HG LYS 25 2HG LYS 25 -2.544 -12.568 -4.872 176 2HG LYS 25 3HG LYS 25 -1.079 -12.875 -3.922 177 1HD LYS 25 2HD LYS 25 -2.370 -13.914 -2.117 178 2HD LYS 25 3HD LYS 25 -3.891 -13.429 -2.845 179 1HE LYS 25 2HE LYS 25 -3.570 -15.774 -3.254 180 2HE LYS 25 3HE LYS 25 -3.559 -14.879 -4.777 181 1HZ LYS 25 1HZ LYS 25 -1.163 -15.041 -4.784 182 2HZ LYS 25 2HZ LYS 25 -1.167 -15.852 -3.348 183 3HZ LYS 25 3HZ LYS 25 -1.835 -16.535 -4.685 184 H LEU 26 H LEU 26 -3.881 -8.666 -1.674 185 HA LEU 26 HA LEU 26 -4.815 -9.903 0.751 186 1HB LEU 26 2HB LEU 26 -3.850 -7.504 0.418 187 2HB LEU 26 3HB LEU 26 -5.468 -7.063 -0.119 188 HG LEU 26 HG LEU 26 -5.306 -6.357 2.038 189 1HD1 LEU 26 1HD1 LEU 26 -7.421 -7.514 1.295 190 2HD1 LEU 26 2HD1 LEU 26 -6.928 -8.869 2.349 191 3HD1 LEU 26 3HD1 LEU 26 -7.179 -7.254 3.039 192 1HD2 LEU 26 1HD2 LEU 26 -3.479 -7.667 2.879 193 2HD2 LEU 26 2HD2 LEU 26 -4.861 -7.734 3.976 194 3HD2 LEU 26 3HD2 LEU 26 -4.488 -9.135 2.944 195 H GLY 27 H GLY 27 -6.488 -8.126 -1.880 196 1HA GLY 27 2HA GLY 27 -8.314 -9.258 -3.014 197 2HA GLY 27 3HA GLY 27 -8.924 -9.850 -1.477 198 H GLY 28 H GLY 28 -9.996 -8.354 -0.026 199 1HA GLY 28 2HA GLY 28 -11.740 -6.674 -1.605 200 2HA GLY 28 3HA GLY 28 -11.875 -7.055 0.116 201 H VAL 29 H VAL 29 -9.206 -5.448 -1.633 202 HA VAL 29 HA VAL 29 -9.348 -3.179 0.308 203 HB VAL 29 HB VAL 29 -7.023 -2.719 -0.493 204 1HG1 VAL 29 1HG1 VAL 29 -5.990 -4.606 0.729 205 2HG1 VAL 29 2HG1 VAL 29 -7.409 -3.967 1.594 206 3HG1 VAL 29 3HG1 VAL 29 -7.530 -5.475 0.663 207 1HG2 VAL 29 1HG2 VAL 29 -7.270 -4.099 -2.676 208 2HG2 VAL 29 2HG2 VAL 29 -5.782 -4.310 -1.732 209 3HG2 VAL 29 3HG2 VAL 29 -7.065 -5.535 -1.650 210 H LYS 30 H LYS 30 -9.014 -0.995 -0.532 211 HA LYS 30 HA LYS 30 -8.798 -0.805 -3.407 212 1HB LYS 30 2HB LYS 30 -11.169 0.091 -2.322 213 2HB LYS 30 3HB LYS 30 -10.172 1.536 -2.176 214 1HG LYS 30 2HG LYS 30 -10.776 -0.068 -4.712 215 2HG LYS 30 3HG LYS 30 -11.468 1.475 -4.240 216 1HD LYS 30 2HD LYS 30 -9.951 2.439 -5.542 217 2HD LYS 30 3HD LYS 30 -8.783 2.149 -4.270 218 1HE LYS 30 2HE LYS 30 -8.223 -0.081 -5.459 219 2HE LYS 30 3HE LYS 30 -9.401 0.363 -6.692 220 1HZ LYS 30 1HZ LYS 30 -8.037 2.328 -7.168 221 2HZ LYS 30 2HZ LYS 30 -6.911 1.828 -6.077 222 3HZ LYS 30 3HZ LYS 30 -7.214 0.923 -7.399 223 H TYR 31 H TYR 31 -7.190 0.654 -3.877 224 HA TYR 31 HA TYR 31 -5.880 2.160 -1.774 225 1HB TYR 31 2HB TYR 31 -3.702 1.029 -2.348 226 2HB TYR 31 3HB TYR 31 -4.852 0.025 -1.471 227 HD1 TYR 31 HD1 TYR 31 -6.203 -1.747 -2.674 228 HD2 TYR 31 HD2 TYR 31 -2.863 0.284 -4.483 229 HE1 TYR 31 HE1 TYR 31 -6.195 -3.401 -4.533 230 HE2 TYR 31 HE2 TYR 31 -2.809 -1.421 -6.272 231 HH TYR 31 HH TYR 31 -3.795 -3.329 -7.157 232 H ASP 32 H ASP 32 -5.192 4.050 -2.644 233 HA ASP 32 HA ASP 32 -5.104 4.241 -5.622 234 1HB ASP 32 2HB ASP 32 -6.691 5.809 -4.498 235 2HB ASP 32 3HB ASP 32 -5.320 6.526 -3.633 236 H ILE 33 H ILE 33 -3.321 5.512 -6.470 237 HA ILE 33 HA ILE 33 -0.792 4.571 -5.139 238 HB ILE 33 HB ILE 33 -2.073 3.990 -7.825 239 1HG1 ILE 33 2HG1 ILE 33 -0.967 1.970 -5.820 240 2HG1 ILE 33 3HG1 ILE 33 -2.619 2.588 -5.687 241 1HG2 ILE 33 1HG2 ILE 33 0.266 4.429 -8.270 242 2HG2 ILE 33 2HG2 ILE 33 0.758 3.329 -6.959 243 3HG2 ILE 33 3HG2 ILE 33 -0.066 2.711 -8.417 244 1HD1 ILE 33 1HD1 ILE 33 -3.030 1.971 -8.113 245 2HD1 ILE 33 2HD1 ILE 33 -1.545 0.988 -8.007 246 3HD1 ILE 33 3HD1 ILE 33 -2.932 0.673 -6.946 247 H ASP 34 H ASP 34 0.418 6.402 -4.957 248 HA ASP 34 HA ASP 34 0.487 8.311 -7.274 249 1HB ASP 34 2HB ASP 34 -0.221 9.234 -5.060 250 2HB ASP 34 3HB ASP 34 1.375 8.777 -4.429 251 H LEU 35 H LEU 35 2.141 7.793 -8.565 252 HA LEU 35 HA LEU 35 4.559 6.445 -7.603 253 1HB LEU 35 2HB LEU 35 3.484 7.307 -10.262 254 2HB LEU 35 3HB LEU 35 5.233 7.254 -10.040 255 HG LEU 35 HG LEU 35 4.183 5.257 -11.091 256 1HD1 LEU 35 1HD1 LEU 35 5.292 3.455 -9.725 257 2HD1 LEU 35 2HD1 LEU 35 6.328 4.857 -10.023 258 3HD1 LEU 35 3HD1 LEU 35 5.548 4.642 -8.448 259 1HD2 LEU 35 1HD2 LEU 35 2.929 4.654 -8.399 260 2HD2 LEU 35 2HD2 LEU 35 2.062 5.330 -9.800 261 3HD2 LEU 35 3HD2 LEU 35 2.799 3.726 -9.914 262 HA PRO 36 HA PRO 36 6.417 10.919 -8.785 263 1HB PRO 36 2HB PRO 36 3.840 12.262 -7.894 264 2HB PRO 36 3HB PRO 36 5.163 12.963 -8.875 265 1HG PRO 36 2HG PRO 36 2.985 11.945 -10.108 266 2HG PRO 36 3HG PRO 36 4.611 11.521 -10.727 267 1HD PRO 36 2HD PRO 36 2.748 9.864 -9.049 268 2HD PRO 36 3HD PRO 36 3.839 9.395 -10.387 269 H ASN 37 H ASN 37 4.015 10.522 -6.202 270 HA ASN 37 HA ASN 37 5.872 11.618 -4.162 271 1HB ASN 37 2HB ASN 37 3.131 11.955 -4.630 272 2HB ASN 37 3HB ASN 37 3.157 10.853 -3.269 273 1HD2 ASN 37 1HD2 ASN 37 3.696 14.050 -4.444 274 2HD2 ASN 37 2HD2 ASN 37 4.273 14.773 -2.958 275 H LYS 38 H LYS 38 5.323 8.628 -5.397 276 HA LYS 38 HA LYS 38 5.461 6.500 -4.717 277 1HB LYS 38 2HB LYS 38 7.561 7.682 -2.838 278 2HB LYS 38 3HB LYS 38 7.367 6.000 -3.343 279 1HG LYS 38 2HG LYS 38 9.033 6.664 -4.784 280 2HG LYS 38 3HG LYS 38 7.577 6.890 -5.768 281 1HD LYS 38 2HD LYS 38 7.666 9.344 -5.066 282 2HD LYS 38 3HD LYS 38 9.210 9.001 -4.277 283 1HE LYS 38 2HE LYS 38 10.185 8.345 -6.451 284 2HE LYS 38 3HE LYS 38 8.597 8.453 -7.229 285 1HZ LYS 38 1HZ LYS 38 9.827 10.404 -7.696 286 2HZ LYS 38 2HZ LYS 38 8.563 10.795 -6.714 287 3HZ LYS 38 3HZ LYS 38 10.085 10.723 -6.098 288 H LYS 39 H LYS 39 3.174 6.775 -3.851 289 HA LYS 39 HA LYS 39 3.109 6.104 -0.986 290 1HB LYS 39 2HB LYS 39 2.144 8.654 -2.284 291 2HB LYS 39 3HB LYS 39 1.024 7.946 -1.127 292 1HG LYS 39 2HG LYS 39 2.610 8.017 0.647 293 2HG LYS 39 3HG LYS 39 3.934 8.368 -0.474 294 1HD LYS 39 2HD LYS 39 2.552 10.572 -1.008 295 2HD LYS 39 3HD LYS 39 1.672 10.166 0.470 296 1HE LYS 39 2HE LYS 39 3.479 11.642 1.106 297 2HE LYS 39 3HE LYS 39 3.887 10.022 1.674 298 1HZ LYS 39 1HZ LYS 39 5.124 9.945 -0.650 299 2HZ LYS 39 2HZ LYS 39 5.021 11.553 -0.536 300 3HZ LYS 39 3HZ LYS 39 5.815 10.693 0.649 301 H VAL 40 H VAL 40 1.277 5.077 -0.309 302 HA VAL 40 HA VAL 40 -0.640 4.153 -2.377 303 HB VAL 40 HB VAL 40 0.596 2.508 -0.135 304 1HG1 VAL 40 1HG1 VAL 40 -1.698 1.859 -0.719 305 2HG1 VAL 40 2HG1 VAL 40 -1.258 1.786 -2.441 306 3HG1 VAL 40 3HG1 VAL 40 -0.545 0.637 -1.287 307 1HG2 VAL 40 1HG2 VAL 40 2.277 2.945 -1.902 308 2HG2 VAL 40 2HG2 VAL 40 1.761 1.265 -1.869 309 3HG2 VAL 40 3HG2 VAL 40 1.127 2.358 -3.125 310 H CYS 41 H CYS 41 -2.545 5.043 -1.773 311 HA CYS 41 HA CYS 41 -3.178 5.557 1.131 312 1HB CYS 41 2HB CYS 41 -4.411 6.569 -1.460 313 2HB CYS 41 3HB CYS 41 -5.095 6.855 0.149 314 HG CYS 41 HG CYS 41 -2.078 7.688 -0.857 315 H ILE 42 H ILE 42 -3.734 3.575 1.870 316 HA ILE 42 HA ILE 42 -5.596 2.000 0.315 317 HB ILE 42 HB ILE 42 -4.051 1.721 2.871 318 1HG1 ILE 42 2HG1 ILE 42 -4.395 -0.502 0.937 319 2HG1 ILE 42 3HG1 ILE 42 -3.568 0.905 0.323 320 1HG2 ILE 42 1HG2 ILE 42 -6.375 -0.130 2.225 321 2HG2 ILE 42 2HG2 ILE 42 -5.174 -0.315 3.529 322 3HG2 ILE 42 3HG2 ILE 42 -6.316 1.006 3.589 323 1HD1 ILE 42 1HD1 ILE 42 -2.031 -0.817 1.299 324 2HD1 ILE 42 2HD1 ILE 42 -1.836 0.832 1.910 325 3HD1 ILE 42 3HD1 ILE 42 -2.660 -0.392 2.894 326 H GLU 43 H GLU 43 -7.766 1.752 0.698 327 HA GLU 43 HA GLU 43 -8.988 2.874 3.090 328 1HB GLU 43 2HB GLU 43 -8.842 4.608 0.993 329 2HB GLU 43 3HB GLU 43 -10.336 3.773 0.558 330 1HG GLU 43 2HG GLU 43 -9.783 5.042 3.296 331 2HG GLU 43 3HG GLU 43 -10.579 5.883 1.960 332 H SER 44 H SER 44 -10.053 1.102 3.753 333 HA SER 44 HA SER 44 -12.195 0.092 2.232 334 1HB SER 44 2HB SER 44 -10.489 -1.362 1.209 335 2HB SER 44 3HB SER 44 -10.009 -1.955 2.818 336 HG SER 44 HG SER 44 -11.642 -3.255 1.606 337 H GLU 45 H GLU 45 -13.025 -1.926 3.654 338 HA GLU 45 HA GLU 45 -12.940 -1.135 6.542 339 1HB GLU 45 2HB GLU 45 -14.906 -2.763 6.680 340 2HB GLU 45 3HB GLU 45 -15.168 -1.169 5.979 341 1HG GLU 45 2HG GLU 45 -15.125 -2.088 3.701 342 2HG GLU 45 3HG GLU 45 -14.766 -3.704 4.353 343 H HIS 46 H HIS 46 -10.629 -1.940 5.984 344 HA HIS 46 HA HIS 46 -10.452 -4.754 6.949 345 1HB HIS 46 2HB HIS 46 -8.812 -3.417 4.758 346 2HB HIS 46 3HB HIS 46 -8.179 -4.729 5.754 347 HD1 HIS 46 1HD HIS 46 -9.608 -7.119 5.641 348 HD2 HIS 46 2HD HIS 46 -9.584 -4.349 2.501 349 HE1 HIS 46 1HE HIS 46 -9.881 -8.448 3.479 350 H SER 47 H SER 47 -8.673 -5.038 8.429 351 HA SER 47 HA SER 47 -7.924 -2.703 9.926 352 1HB SER 47 2HB SER 47 -6.506 -4.668 10.992 353 2HB SER 47 3HB SER 47 -8.230 -4.483 11.275 354 HG SER 47 HG SER 47 -6.949 -6.358 9.582 355 H MET 48 H MET 48 -6.197 -1.494 9.766 356 HA MET 48 HA MET 48 -4.356 -1.510 7.784 357 1HB MET 48 2HB MET 48 -2.993 -0.019 9.050 358 2HB MET 48 3HB MET 48 -4.681 0.309 9.424 359 1HG MET 48 2HG MET 48 -4.373 -1.242 11.424 360 2HG MET 48 3HG MET 48 -2.623 -1.044 11.144 361 1HE MET 48 1HE MET 48 -2.331 -0.195 13.625 362 2HE MET 48 2HE MET 48 -3.279 1.138 14.329 363 3HE MET 48 3HE MET 48 -4.081 -0.393 13.904 364 H ASP 49 H ASP 49 -3.989 -3.323 10.861 365 HA ASP 49 HA ASP 49 -1.494 -4.479 10.748 366 1HB ASP 49 2HB ASP 49 -2.844 -5.241 12.503 367 2HB ASP 49 3HB ASP 49 -4.268 -5.447 11.476 368 H THR 50 H THR 50 -4.341 -5.787 9.096 369 HA THR 50 HA THR 50 -3.014 -7.933 7.932 370 HB THR 50 HB THR 50 -5.633 -6.721 6.981 371 HG1 THR 50 1HG THR 50 -4.943 -7.704 9.547 372 1HG2 THR 50 1HG2 THR 50 -4.895 -8.907 6.005 373 2HG2 THR 50 2HG2 THR 50 -4.851 -9.594 7.643 374 3HG2 THR 50 3HG2 THR 50 -6.390 -9.037 6.949 375 H LEU 51 H LEU 51 -3.785 -4.667 6.743 376 HA LEU 51 HA LEU 51 -2.952 -5.047 4.002 377 1HB LEU 51 2HB LEU 51 -3.404 -2.673 5.849 378 2HB LEU 51 3HB LEU 51 -2.725 -2.485 4.265 379 HG LEU 51 HG LEU 51 -5.318 -2.271 4.827 380 1HD1 LEU 51 1HD1 LEU 51 -4.043 -2.027 2.621 381 2HD1 LEU 51 2HD1 LEU 51 -4.309 -3.745 2.341 382 3HD1 LEU 51 3HD1 LEU 51 -5.694 -2.616 2.420 383 1HD2 LEU 51 1HD2 LEU 51 -5.825 -4.489 5.624 384 2HD2 LEU 51 2HD2 LEU 51 -6.630 -4.193 4.077 385 3HD2 LEU 51 3HD2 LEU 51 -5.211 -5.231 4.131 386 H LEU 52 H LEU 52 -1.425 -3.394 6.804 387 HA LEU 52 HA LEU 52 1.094 -2.884 5.974 388 1HB LEU 52 2HB LEU 52 -0.043 -3.672 8.610 389 2HB LEU 52 3HB LEU 52 1.684 -3.872 8.374 390 HG LEU 52 HG LEU 52 1.649 -1.385 7.574 391 1HD1 LEU 52 1HD1 LEU 52 -0.915 -1.332 7.566 392 2HD1 LEU 52 2HD1 LEU 52 -0.839 -1.427 9.336 393 3HD1 LEU 52 3HD1 LEU 52 -0.148 -0.041 8.478 394 1HD2 LEU 52 1HD2 LEU 52 1.912 -0.638 9.892 395 2HD2 LEU 52 2HD2 LEU 52 1.227 -2.180 10.464 396 3HD2 LEU 52 3HD2 LEU 52 2.763 -2.159 9.562 397 H ALA 53 H ALA 53 0.290 -6.001 7.598 398 HA ALA 53 HA ALA 53 2.861 -7.089 7.068 399 1HB ALA 53 1HB ALA 53 1.303 -7.932 8.822 400 2HB ALA 53 2HB ALA 53 0.206 -8.536 7.562 401 3HB ALA 53 3HB ALA 53 1.827 -9.245 7.747 402 H THR 54 H THR 54 0.061 -6.865 4.917 403 HA THR 54 HA THR 54 1.186 -8.821 3.078 404 HB THR 54 HB THR 54 -1.280 -7.064 3.037 405 HG1 THR 54 1HG THR 54 -1.687 -8.652 4.347 406 1HG2 THR 54 1HG2 THR 54 -0.253 -9.041 0.973 407 2HG2 THR 54 2HG2 THR 54 -1.962 -8.604 1.147 408 3HG2 THR 54 3HG2 THR 54 -0.773 -7.353 0.763 409 H LEU 55 H LEU 55 0.927 -5.262 3.359 410 HA LEU 55 HA LEU 55 1.936 -4.766 0.764 411 1HB LEU 55 2HB LEU 55 0.853 -3.313 2.960 412 2HB LEU 55 3HB LEU 55 2.455 -2.626 2.669 413 HG LEU 55 HG LEU 55 0.096 -2.855 0.796 414 1HD1 LEU 55 1HD1 LEU 55 1.645 -0.478 1.948 415 2HD1 LEU 55 2HD1 LEU 55 0.256 -0.369 0.857 416 3HD1 LEU 55 3HD1 LEU 55 0.051 -1.043 2.484 417 1HD2 LEU 55 1HD2 LEU 55 2.968 -2.050 0.238 418 2HD2 LEU 55 2HD2 LEU 55 1.940 -3.192 -0.662 419 3HD2 LEU 55 3HD2 LEU 55 1.601 -1.457 -0.740 420 H LYS 56 H LYS 56 3.328 -5.114 3.970 421 HA LYS 56 HA LYS 56 6.062 -4.761 3.620 422 1HB LYS 56 2HB LYS 56 4.378 -6.645 5.283 423 2HB LYS 56 3HB LYS 56 6.135 -6.723 5.315 424 1HG LYS 56 2HG LYS 56 6.300 -4.415 6.016 425 2HG LYS 56 3HG LYS 56 4.598 -4.121 5.782 426 1HD LYS 56 2HD LYS 56 5.303 -4.304 8.169 427 2HD LYS 56 3HD LYS 56 4.008 -5.384 7.720 428 1HE LYS 56 2HE LYS 56 5.638 -6.518 9.171 429 2HE LYS 56 3HE LYS 56 5.558 -7.300 7.591 430 1HZ LYS 56 1HZ LYS 56 7.565 -6.121 6.980 431 2HZ LYS 56 2HZ LYS 56 7.633 -5.381 8.449 432 3HZ LYS 56 3HZ LYS 56 7.816 -7.010 8.339 433 H LYS 57 H LYS 57 4.098 -7.421 2.271 434 HA LYS 57 HA LYS 57 6.280 -9.229 1.886 435 1HB LYS 57 2HB LYS 57 3.696 -8.995 0.320 436 2HB LYS 57 3HB LYS 57 4.809 -10.357 0.259 437 1HG LYS 57 2HG LYS 57 4.395 -10.987 2.529 438 2HG LYS 57 3HG LYS 57 3.591 -9.461 2.886 439 1HD LYS 57 2HD LYS 57 1.771 -10.043 1.301 440 2HD LYS 57 3HD LYS 57 2.499 -11.629 1.048 441 1HE LYS 57 2HE LYS 57 1.970 -12.413 3.177 442 2HE LYS 57 3HE LYS 57 1.986 -10.822 3.924 443 1HZ LYS 57 1HZ LYS 57 -0.206 -11.832 3.763 444 2HZ LYS 57 2HZ LYS 57 -0.188 -10.361 3.085 445 3HZ LYS 57 3HZ LYS 57 -0.176 -11.709 2.129 446 H THR 58 H THR 58 5.480 -6.259 0.188 447 HA THR 58 HA THR 58 7.090 -6.773 -2.232 448 HB THR 58 HB THR 58 7.003 -4.466 -2.553 449 HG1 THR 58 1HG THR 58 5.694 -4.141 -0.042 450 1HG2 THR 58 1HG2 THR 58 4.631 -4.070 -2.632 451 2HG2 THR 58 2HG2 THR 58 4.944 -5.773 -3.014 452 3HG2 THR 58 3HG2 THR 58 4.329 -5.311 -1.408 453 H GLY 59 H GLY 59 7.705 -5.787 1.090 454 1HA GLY 59 2HA GLY 59 9.478 -5.065 2.170 455 2HA GLY 59 3HA GLY 59 10.490 -6.079 1.110 456 H LYS 60 H LYS 60 8.459 -3.308 0.046 457 HA LYS 60 HA LYS 60 10.837 -1.764 -0.776 458 1HB LYS 60 2HB LYS 60 7.991 -0.809 -0.395 459 2HB LYS 60 3HB LYS 60 9.233 -0.003 -1.325 460 1HG LYS 60 2HG LYS 60 7.697 -2.485 -2.066 461 2HG LYS 60 3HG LYS 60 7.712 -0.939 -2.878 462 1HD LYS 60 2HD LYS 60 9.893 -3.066 -2.875 463 2HD LYS 60 3HD LYS 60 8.924 -2.481 -4.229 464 1HE LYS 60 2HE LYS 60 9.902 -0.088 -3.493 465 2HE LYS 60 3HE LYS 60 11.210 -1.034 -2.795 466 1HZ LYS 60 1HZ LYS 60 10.417 -0.825 -5.631 467 2HZ LYS 60 2HZ LYS 60 11.690 -0.185 -4.840 468 3HZ LYS 60 3HZ LYS 60 11.630 -1.829 -5.064 469 H THR 61 H THR 61 10.767 0.676 0.127 470 HA THR 61 HA THR 61 11.031 0.683 2.930 471 HB THR 61 HB THR 61 10.660 3.100 1.241 472 HG1 THR 61 1HG THR 61 12.783 2.795 0.468 473 1HG2 THR 61 1HG2 THR 61 12.551 3.973 2.581 474 2HG2 THR 61 2HG2 THR 61 11.262 3.392 3.649 475 3HG2 THR 61 3HG2 THR 61 12.714 2.400 3.390 476 H VAL 62 H VAL 62 8.609 -0.363 2.802 477 HA VAL 62 HA VAL 62 6.490 1.550 2.402 478 HB VAL 62 HB VAL 62 6.223 -0.541 1.568 479 1HG1 VAL 62 1HG1 VAL 62 7.527 -2.024 3.075 480 2HG1 VAL 62 2HG1 VAL 62 6.306 -1.808 4.344 481 3HG1 VAL 62 3HG1 VAL 62 5.885 -2.612 2.823 482 1HG2 VAL 62 1HG2 VAL 62 4.217 0.666 2.483 483 2HG2 VAL 62 2HG2 VAL 62 4.024 -1.074 2.239 484 3HG2 VAL 62 3HG2 VAL 62 4.282 -0.446 3.876 485 H SER 63 H SER 63 6.640 3.102 3.756 486 HA SER 63 HA SER 63 6.856 2.684 6.683 487 1HB SER 63 2HB SER 63 6.984 5.245 5.068 488 2HB SER 63 3HB SER 63 7.533 4.988 6.730 489 HG SER 63 HG SER 63 8.602 3.731 4.386 490 H TYR 64 H TYR 64 4.907 2.453 7.639 491 HA TYR 64 HA TYR 64 2.474 3.466 6.424 492 1HB TYR 64 2HB TYR 64 2.497 1.285 7.533 493 2HB TYR 64 3HB TYR 64 2.993 2.037 9.050 494 HD1 TYR 64 HD1 TYR 64 1.213 1.842 10.601 495 HD2 TYR 64 HD2 TYR 64 0.321 2.904 6.514 496 HE1 TYR 64 HE1 TYR 64 -1.121 2.361 11.229 497 HE2 TYR 64 HE2 TYR 64 -1.902 3.667 7.209 498 HH TYR 64 HH TYR 64 -2.907 4.488 9.388 499 H LEU 65 H LEU 65 1.372 5.290 6.946 500 HA LEU 65 HA LEU 65 2.442 7.157 8.979 501 1HB LEU 65 2HB LEU 65 0.424 7.508 6.770 502 2HB LEU 65 3HB LEU 65 0.769 8.694 8.026 503 HG LEU 65 HG LEU 65 3.309 8.299 7.333 504 1HD1 LEU 65 1HD1 LEU 65 3.584 7.979 4.955 505 2HD1 LEU 65 2HD1 LEU 65 2.853 6.535 5.648 506 3HD1 LEU 65 3HD1 LEU 65 1.844 7.680 4.737 507 1HD2 LEU 65 1HD2 LEU 65 3.116 10.201 5.812 508 2HD2 LEU 65 2HD2 LEU 65 1.346 9.986 5.761 509 3HD2 LEU 65 3HD2 LEU 65 2.158 10.400 7.299 510 H GLY 66 H GLY 66 0.236 8.349 10.001 511 1HA GLY 66 2HA GLY 66 -0.535 6.477 12.008 512 2HA GLY 66 3HA GLY 66 -1.196 8.102 11.763 513 H LEU 67 H LEU 67 -3.029 6.639 12.665 514 HA LEU 67 HA LEU 67 -4.642 5.302 10.595 515 1HB LEU 67 2HB LEU 67 -4.703 4.518 12.941 516 2HB LEU 67 3HB LEU 67 -5.208 6.129 13.472 517 HG LEU 67 HG LEU 67 -7.338 5.888 12.215 518 1HD1 LEU 67 1HD1 LEU 67 -6.691 4.370 10.402 519 2HD1 LEU 67 2HD1 LEU 67 -6.271 3.098 11.573 520 3HD1 LEU 67 3HD1 LEU 67 -7.959 3.613 11.367 521 1HD2 LEU 67 1HD2 LEU 67 -8.335 4.198 13.693 522 2HD2 LEU 67 2HD2 LEU 67 -6.723 3.558 14.080 523 3HD2 LEU 67 3HD2 LEU 67 -7.177 5.201 14.583 524 H GLU 68 H GLU 68 -6.578 6.359 9.665 525 HA GLU 68 HA GLU 68 -6.930 9.208 10.000 526 1HB GLU 68 2HB GLU 68 -4.798 8.596 8.516 527 2HB GLU 68 3HB GLU 68 -6.006 8.081 7.343 528 1HG GLU 68 2HG GLU 68 -6.939 10.419 7.400 529 2HG GLU 68 3HG GLU 68 -5.637 10.877 8.517 Start of MODEL 3 1 1H MET 1 H1 MET 1 -13.465 1.078 6.089 2 2H MET 1 H2 MET 1 -14.166 1.340 4.726 3 3H MET 1 H3 MET 1 -12.579 1.857 4.922 4 HA MET 1 HA MET 1 -14.406 3.599 5.059 5 1HB MET 1 2HB MET 1 -15.939 2.326 6.375 6 2HB MET 1 3HB MET 1 -14.816 2.193 7.727 7 1HG MET 1 2HG MET 1 -15.782 4.879 6.692 8 2HG MET 1 3HG MET 1 -16.691 3.935 7.877 9 1HE MET 1 1HE MET 1 -16.692 6.138 9.398 10 2HE MET 1 2HE MET 1 -15.194 6.931 9.945 11 3HE MET 1 3HE MET 1 -15.646 6.985 8.226 12 HA PRO 2 HA PRO 2 -11.159 5.238 8.137 13 1HB PRO 2 2HB PRO 2 -9.147 3.564 8.947 14 2HB PRO 2 3HB PRO 2 -10.618 3.879 9.924 15 1HG PRO 2 2HG PRO 2 -10.055 1.554 8.051 16 2HG PRO 2 3HG PRO 2 -10.722 1.476 9.709 17 1HD PRO 2 2HD PRO 2 -12.327 1.339 7.594 18 2HD PRO 2 3HD PRO 2 -12.819 2.345 8.981 19 H LYS 3 H LYS 3 -8.952 5.826 7.690 20 HA LYS 3 HA LYS 3 -7.932 5.043 4.995 21 1HB LYS 3 2HB LYS 3 -8.417 7.434 5.239 22 2HB LYS 3 3HB LYS 3 -7.537 7.451 6.779 23 1HG LYS 3 2HG LYS 3 -5.416 6.884 5.553 24 2HG LYS 3 3HG LYS 3 -6.293 7.039 4.028 25 1HD LYS 3 2HD LYS 3 -6.077 9.184 6.219 26 2HD LYS 3 3HD LYS 3 -4.936 9.068 4.901 27 1HE LYS 3 2HE LYS 3 -7.924 9.665 4.650 28 2HE LYS 3 3HE LYS 3 -6.581 10.798 4.462 29 1HZ LYS 3 1HZ LYS 3 -5.797 9.406 2.615 30 2HZ LYS 3 2HZ LYS 3 -7.210 8.533 2.685 31 3HZ LYS 3 3HZ LYS 3 -7.262 10.114 2.323 32 H HIS 4 H HIS 4 -6.136 3.889 4.946 33 HA HIS 4 HA HIS 4 -4.154 4.074 7.167 34 1HB HIS 4 2HB HIS 4 -4.784 1.582 5.531 35 2HB HIS 4 3HB HIS 4 -3.618 1.744 6.835 36 HD1 HIS 4 1HD HIS 4 -5.933 3.428 8.654 37 HD2 HIS 4 2HD HIS 4 -6.086 -0.380 6.877 38 HE1 HIS 4 1HE HIS 4 -7.592 2.039 10.026 39 H GLU 5 H GLU 5 -2.809 5.525 6.192 40 HA GLU 5 HA GLU 5 -2.168 5.176 3.306 41 1HB GLU 5 2HB GLU 5 -2.175 7.567 5.122 42 2HB GLU 5 3HB GLU 5 -0.897 7.469 3.904 43 1HG GLU 5 2HG GLU 5 -2.420 7.191 2.155 44 2HG GLU 5 3HG GLU 5 -3.830 7.050 3.241 45 H PHE 6 H PHE 6 -0.107 5.024 2.539 46 HA PHE 6 HA PHE 6 2.057 4.354 4.453 47 1HB PHE 6 2HB PHE 6 1.213 2.696 2.038 48 2HB PHE 6 3HB PHE 6 2.611 2.392 3.059 49 HD1 PHE 6 1HD PHE 6 2.402 0.796 4.827 50 HD2 PHE 6 2HD PHE 6 -1.163 2.579 3.152 51 HE1 PHE 6 1HE PHE 6 1.005 -0.903 5.879 52 HE2 PHE 6 2HE PHE 6 -2.545 1.093 4.541 53 HZ PHE 6 HZ PHE 6 -1.471 -0.639 5.969 54 H SER 7 H SER 7 4.028 5.053 3.722 55 HA SER 7 HA SER 7 4.103 6.317 1.019 56 1HB SER 7 2HB SER 7 4.716 7.868 2.738 57 2HB SER 7 3HB SER 7 6.020 6.798 3.296 58 HG SER 7 HG SER 7 5.846 7.593 0.565 59 H VAL 8 H VAL 8 5.171 5.193 -0.472 60 HA VAL 8 HA VAL 8 6.650 2.722 0.314 61 HB VAL 8 HB VAL 8 4.556 2.994 -1.868 62 1HG1 VAL 8 1HG1 VAL 8 6.248 0.635 -0.924 63 2HG1 VAL 8 2HG1 VAL 8 4.893 0.523 -2.063 64 3HG1 VAL 8 3HG1 VAL 8 6.335 1.442 -2.507 65 1HG2 VAL 8 1HG2 VAL 8 4.514 1.590 0.836 66 2HG2 VAL 8 2HG2 VAL 8 3.420 2.877 0.295 67 3HG2 VAL 8 3HG2 VAL 8 3.331 1.266 -0.437 68 H ASP 9 H ASP 9 8.655 2.950 -0.516 69 HA ASP 9 HA ASP 9 9.303 5.079 -2.299 70 1HB ASP 9 2HB ASP 9 10.962 4.276 -0.779 71 2HB ASP 9 3HB ASP 9 10.942 2.654 -1.518 72 H MET 10 H MET 10 7.683 4.654 -3.998 73 HA MET 10 HA MET 10 8.246 2.521 -5.890 74 1HB MET 10 2HB MET 10 6.653 5.057 -6.406 75 2HB MET 10 3HB MET 10 6.656 3.536 -7.323 76 1HG MET 10 2HG MET 10 5.755 2.379 -5.265 77 2HG MET 10 3HG MET 10 5.584 3.984 -4.534 78 1HE MET 10 1HE MET 10 1.894 3.264 -5.125 79 2HE MET 10 2HE MET 10 3.151 2.144 -4.545 80 3HE MET 10 3HE MET 10 3.143 3.844 -4.002 81 H THR 11 H THR 11 10.146 2.517 -6.981 82 HA THR 11 HA THR 11 11.455 5.054 -7.733 83 HB THR 11 HB THR 11 12.675 3.130 -6.672 84 HG1 THR 11 1HG THR 11 14.466 3.531 -7.995 85 1HG2 THR 11 1HG2 THR 11 13.505 1.340 -8.106 86 2HG2 THR 11 2HG2 THR 11 11.739 1.262 -8.057 87 3HG2 THR 11 3HG2 THR 11 12.560 1.932 -9.482 88 H CYS 12 HN CYS 12 9.505 2.453 -9.181 89 HA CYS 12 HA CYS 12 9.394 3.936 -11.705 90 1HB CYS 12 2HB CYS 12 9.990 1.980 -13.018 91 2HB CYS 12 3HB CYS 12 11.306 2.328 -11.902 92 H GLY 13 H GLY 13 7.665 2.948 -13.073 93 1HA GLY 13 2HA GLY 13 5.158 2.593 -11.933 94 2HA GLY 13 3HA GLY 13 5.659 1.924 -13.495 95 H GLY 14 H GLY 14 7.622 0.146 -12.704 96 1HA GLY 14 2HA GLY 14 6.379 -2.228 -12.208 97 2HA GLY 14 3HA GLY 14 8.077 -1.882 -11.828 98 H CYS 15 HN CYS 15 7.530 0.111 -9.729 99 HA CYS 15 HA CYS 15 7.142 -1.725 -7.508 100 1HB CYS 15 2HB CYS 15 7.367 1.283 -7.689 101 2HB CYS 15 3HB CYS 15 7.188 0.383 -6.187 102 H ALA 16 H ALA 16 5.108 0.747 -9.141 103 HA ALA 16 HA ALA 16 2.930 0.616 -7.238 104 1HB ALA 16 1HB ALA 16 3.174 2.497 -8.819 105 2HB ALA 16 2HB ALA 16 2.895 1.402 -10.188 106 3HB ALA 16 3HB ALA 16 1.612 1.678 -9.000 107 H GLU 17 H GLU 17 3.684 -0.972 -10.356 108 HA GLU 17 HA GLU 17 1.444 -2.675 -10.551 109 1HB GLU 17 2HB GLU 17 4.332 -3.130 -11.396 110 2HB GLU 17 3HB GLU 17 2.965 -4.091 -11.952 111 1HG GLU 17 2HG GLU 17 2.031 -2.290 -13.181 112 2HG GLU 17 3HG GLU 17 3.000 -1.069 -12.354 113 H ALA 18 H ALA 18 4.630 -3.291 -8.970 114 HA ALA 18 HA ALA 18 4.043 -5.879 -8.030 115 1HB ALA 18 1HB ALA 18 5.835 -3.766 -6.758 116 2HB ALA 18 2HB ALA 18 5.888 -5.504 -6.428 117 3HB ALA 18 3HB ALA 18 6.323 -4.895 -8.043 118 H VAL 19 H VAL 19 3.647 -2.714 -6.327 119 HA VAL 19 HA VAL 19 2.618 -3.701 -3.920 120 HB VAL 19 HB VAL 19 2.211 -1.134 -5.514 121 1HG1 VAL 19 1HG1 VAL 19 1.336 -0.254 -3.316 122 2HG1 VAL 19 2HG1 VAL 19 0.248 -1.337 -4.185 123 3HG1 VAL 19 3HG1 VAL 19 1.193 -1.968 -2.803 124 1HG2 VAL 19 1HG2 VAL 19 3.631 -1.445 -2.863 125 2HG2 VAL 19 2HG2 VAL 19 4.501 -1.759 -4.376 126 3HG2 VAL 19 3HG2 VAL 19 3.788 -0.166 -4.075 127 H SER 20 H SER 20 0.969 -2.727 -6.945 128 HA SER 20 HA SER 20 -1.668 -3.231 -6.100 129 1HB SER 20 2HB SER 20 -0.806 -2.083 -8.246 130 2HB SER 20 3HB SER 20 -0.564 -3.656 -8.948 131 HG SER 20 HG SER 20 -3.087 -2.987 -7.871 132 H ARG 21 H ARG 21 0.575 -5.368 -7.800 133 HA ARG 21 HA ARG 21 -0.972 -7.709 -7.792 134 1HB ARG 21 2HB ARG 21 0.825 -8.429 -8.786 135 2HB ARG 21 3HB ARG 21 1.773 -7.058 -8.260 136 1HG ARG 21 2HG ARG 21 2.631 -8.198 -6.352 137 2HG ARG 21 3HG ARG 21 1.453 -9.503 -6.479 138 1HD ARG 21 2HD ARG 21 3.585 -10.314 -7.325 139 2HD ARG 21 3HD ARG 21 2.402 -10.235 -8.612 140 HE ARG 21 HE ARG 21 3.559 -8.590 -9.704 141 1HH1 ARG 21 2HH2 ARG 21 4.912 -8.916 -6.474 142 2HH1 ARG 21 1HH2 ARG 21 6.427 -8.148 -6.840 143 1HH2 ARG 21 2HH1 ARG 21 5.520 -7.483 -10.227 144 2HH2 ARG 21 1HH1 ARG 21 6.748 -7.260 -9.029 145 H VAL 22 H VAL 22 1.047 -6.462 -5.067 146 HA VAL 22 HA VAL 22 0.682 -8.732 -3.386 147 HB VAL 22 HB VAL 22 1.863 -5.975 -3.350 148 1HG1 VAL 22 1HG1 VAL 22 2.272 -6.067 -0.935 149 2HG1 VAL 22 2HG1 VAL 22 0.640 -5.645 -1.481 150 3HG1 VAL 22 3HG1 VAL 22 0.970 -7.280 -0.811 151 1HG2 VAL 22 1HG2 VAL 22 3.771 -7.049 -2.504 152 2HG2 VAL 22 2HG2 VAL 22 2.893 -8.587 -2.269 153 3HG2 VAL 22 3HG2 VAL 22 3.172 -7.945 -3.912 154 H LEU 23 H LEU 23 -0.884 -5.535 -3.575 155 HA LEU 23 HA LEU 23 -2.653 -6.045 -1.345 156 1HB LEU 23 2HB LEU 23 -2.177 -3.894 -3.367 157 2HB LEU 23 3HB LEU 23 -3.754 -3.882 -2.693 158 HG LEU 23 HG LEU 23 -1.153 -3.985 -1.074 159 1HD1 LEU 23 1HD1 LEU 23 -2.951 -1.607 -1.680 160 2HD1 LEU 23 2HD1 LEU 23 -1.431 -1.601 -0.750 161 3HD1 LEU 23 3HD1 LEU 23 -1.398 -1.911 -2.491 162 1HD2 LEU 23 1HD2 LEU 23 -3.189 -4.762 0.181 163 2HD2 LEU 23 2HD2 LEU 23 -2.641 -3.203 0.778 164 3HD2 LEU 23 3HD2 LEU 23 -4.018 -3.289 -0.354 165 H ASN 24 H ASN 24 -2.971 -6.370 -4.895 166 HA ASN 24 HA ASN 24 -5.726 -7.108 -4.913 167 1HB ASN 24 2HB ASN 24 -4.485 -6.621 -6.971 168 2HB ASN 24 3HB ASN 24 -3.453 -8.036 -6.715 169 1HD2 ASN 24 1HD2 ASN 24 -6.671 -8.862 -5.718 170 2HD2 ASN 24 2HD2 ASN 24 -7.140 -9.556 -7.255 171 H LYS 25 H LYS 25 -2.679 -9.018 -4.393 172 HA LYS 25 HA LYS 25 -3.970 -11.454 -3.907 173 1HB LYS 25 2HB LYS 25 -1.318 -10.305 -3.514 174 2HB LYS 25 3HB LYS 25 -1.733 -11.356 -2.193 175 1HG LYS 25 2HG LYS 25 -1.991 -12.122 -5.158 176 2HG LYS 25 3HG LYS 25 -0.505 -12.284 -4.242 177 1HD LYS 25 2HD LYS 25 -1.351 -14.398 -4.251 178 2HD LYS 25 3HD LYS 25 -1.662 -13.841 -2.618 179 1HE LYS 25 2HE LYS 25 -3.860 -13.607 -4.727 180 2HE LYS 25 3HE LYS 25 -3.422 -15.212 -4.157 181 1HZ LYS 25 1HZ LYS 25 -3.933 -14.594 -1.933 182 2HZ LYS 25 2HZ LYS 25 -4.326 -13.063 -2.355 183 3HZ LYS 25 3HZ LYS 25 -5.226 -14.308 -2.899 184 H LEU 26 H LEU 26 -3.621 -8.661 -1.693 185 HA LEU 26 HA LEU 26 -4.726 -9.932 0.622 186 1HB LEU 26 2HB LEU 26 -3.789 -7.503 0.398 187 2HB LEU 26 3HB LEU 26 -5.374 -7.084 -0.225 188 HG LEU 26 HG LEU 26 -5.375 -6.437 1.950 189 1HD1 LEU 26 1HD1 LEU 26 -6.980 -8.981 2.018 190 2HD1 LEU 26 2HD1 LEU 26 -7.276 -7.417 2.797 191 3HD1 LEU 26 3HD1 LEU 26 -7.412 -7.556 1.027 192 1HD2 LEU 26 1HD2 LEU 26 -3.606 -7.750 2.897 193 2HD2 LEU 26 2HD2 LEU 26 -5.066 -7.862 3.881 194 3HD2 LEU 26 3HD2 LEU 26 -4.596 -9.231 2.843 195 H GLY 27 H GLY 27 -6.341 -8.009 -1.958 196 1HA GLY 27 2HA GLY 27 -8.106 -9.163 -3.232 197 2HA GLY 27 3HA GLY 27 -8.776 -9.782 -1.729 198 H GLY 28 H GLY 28 -9.871 -8.318 -0.274 199 1HA GLY 28 2HA GLY 28 -11.587 -6.614 -1.852 200 2HA GLY 28 3HA GLY 28 -11.748 -7.020 -0.139 201 H VAL 29 H VAL 29 -9.084 -5.374 -1.851 202 HA VAL 29 HA VAL 29 -9.204 -3.165 0.159 203 HB VAL 29 HB VAL 29 -6.874 -2.707 -0.683 204 1HG1 VAL 29 1HG1 VAL 29 -5.862 -4.627 0.535 205 2HG1 VAL 29 2HG1 VAL 29 -7.245 -3.928 1.405 206 3HG1 VAL 29 3HG1 VAL 29 -7.429 -5.447 0.501 207 1HG2 VAL 29 1HG2 VAL 29 -5.693 -4.324 -1.939 208 2HG2 VAL 29 2HG2 VAL 29 -6.996 -5.518 -1.851 209 3HG2 VAL 29 3HG2 VAL 29 -7.185 -4.069 -2.864 210 H LYS 30 H LYS 30 -8.953 -0.988 -0.532 211 HA LYS 30 HA LYS 30 -8.901 -0.492 -3.393 212 1HB LYS 30 2HB LYS 30 -11.278 -0.134 -2.868 213 2HB LYS 30 3HB LYS 30 -10.852 0.868 -1.488 214 1HG LYS 30 2HG LYS 30 -11.598 2.189 -3.447 215 2HG LYS 30 3HG LYS 30 -10.023 2.634 -2.840 216 1HD LYS 30 2HD LYS 30 -10.169 2.638 -5.324 217 2HD LYS 30 3HD LYS 30 -8.860 1.678 -4.695 218 1HE LYS 30 2HE LYS 30 -9.942 0.586 -6.594 219 2HE LYS 30 3HE LYS 30 -10.062 -0.423 -5.163 220 1HZ LYS 30 1HZ LYS 30 -12.298 0.358 -4.830 221 2HZ LYS 30 2HZ LYS 30 -12.223 1.294 -6.185 222 3HZ LYS 30 3HZ LYS 30 -12.137 -0.346 -6.306 223 H TYR 31 H TYR 31 -7.180 0.644 -3.769 224 HA TYR 31 HA TYR 31 -5.940 2.264 -1.657 225 1HB TYR 31 2HB TYR 31 -3.784 1.234 -2.341 226 2HB TYR 31 3HB TYR 31 -4.876 0.144 -1.498 227 HD1 TYR 31 HD1 TYR 31 -6.277 -1.541 -2.817 228 HD2 TYR 31 HD2 TYR 31 -2.843 0.524 -4.404 229 HE1 TYR 31 HE1 TYR 31 -6.125 -3.200 -4.651 230 HE2 TYR 31 HE2 TYR 31 -2.607 -1.230 -6.134 231 HH TYR 31 HH TYR 31 -4.851 -3.992 -6.391 232 H ASP 32 H ASP 32 -5.430 4.221 -2.398 233 HA ASP 32 HA ASP 32 -5.386 4.730 -5.323 234 1HB ASP 32 2HB ASP 32 -6.574 6.360 -3.817 235 2HB ASP 32 3HB ASP 32 -5.027 6.678 -3.013 236 H ILE 33 H ILE 33 -3.420 5.887 -6.107 237 HA ILE 33 HA ILE 33 -0.904 4.710 -4.973 238 HB ILE 33 HB ILE 33 -2.269 4.303 -7.655 239 1HG1 ILE 33 2HG1 ILE 33 -0.833 2.233 -5.963 240 2HG1 ILE 33 3HG1 ILE 33 -2.502 2.694 -5.601 241 1HG2 ILE 33 1HG2 ILE 33 0.682 3.935 -7.047 242 2HG2 ILE 33 2HG2 ILE 33 -0.145 3.237 -8.457 243 3HG2 ILE 33 3HG2 ILE 33 -0.057 4.982 -8.279 244 1HD1 ILE 33 1HD1 ILE 33 -2.556 0.744 -7.043 245 2HD1 ILE 33 2HD1 ILE 33 -3.267 2.130 -7.855 246 3HD1 ILE 33 3HD1 ILE 33 -1.631 1.570 -8.293 247 H ASP 34 H ASP 34 0.604 6.307 -4.900 248 HA ASP 34 HA ASP 34 0.645 8.284 -7.137 249 1HB ASP 34 2HB ASP 34 -0.042 9.360 -4.994 250 2HB ASP 34 3HB ASP 34 1.518 8.873 -4.297 251 H LEU 35 H LEU 35 2.319 7.896 -8.344 252 HA LEU 35 HA LEU 35 4.573 6.255 -7.489 253 1HB LEU 35 2HB LEU 35 3.552 7.418 -10.063 254 2HB LEU 35 3HB LEU 35 5.286 7.125 -9.951 255 HG LEU 35 HG LEU 35 3.374 4.946 -9.093 256 1HD1 LEU 35 1HD1 LEU 35 3.306 4.049 -11.388 257 2HD1 LEU 35 2HD1 LEU 35 2.494 5.622 -11.285 258 3HD1 LEU 35 3HD1 LEU 35 4.121 5.508 -11.994 259 1HD2 LEU 35 1HD2 LEU 35 5.936 4.868 -8.868 260 2HD2 LEU 35 2HD2 LEU 35 5.212 3.487 -9.723 261 3HD2 LEU 35 3HD2 LEU 35 6.012 4.786 -10.628 262 HA PRO 36 HA PRO 36 7.227 10.107 -8.282 263 1HB PRO 36 2HB PRO 36 6.043 12.628 -8.241 264 2HB PRO 36 3HB PRO 36 6.417 11.681 -9.711 265 1HG PRO 36 2HG PRO 36 3.786 11.828 -8.220 266 2HG PRO 36 3HG PRO 36 4.058 11.983 -9.980 267 1HD PRO 36 2HD PRO 36 3.246 9.665 -8.947 268 2HD PRO 36 3HD PRO 36 4.536 9.645 -10.182 269 H ASN 37 H ASN 37 4.356 10.481 -6.179 270 HA ASN 37 HA ASN 37 6.097 11.640 -4.031 271 1HB ASN 37 2HB ASN 37 3.090 11.319 -3.988 272 2HB ASN 37 3HB ASN 37 4.097 12.116 -2.809 273 1HD2 ASN 37 1HD2 ASN 37 2.219 12.685 -5.584 274 2HD2 ASN 37 2HD2 ASN 37 2.850 14.293 -5.951 275 H LYS 38 H LYS 38 5.528 8.588 -5.105 276 HA LYS 38 HA LYS 38 5.873 6.558 -4.118 277 1HB LYS 38 2HB LYS 38 7.376 8.448 -2.241 278 2HB LYS 38 3HB LYS 38 7.639 6.718 -2.304 279 1HG LYS 38 2HG LYS 38 8.307 6.850 -4.660 280 2HG LYS 38 3HG LYS 38 7.984 8.588 -4.694 281 1HD LYS 38 2HD LYS 38 9.659 9.019 -2.978 282 2HD LYS 38 3HD LYS 38 10.031 7.299 -2.824 283 1HE LYS 38 2HE LYS 38 10.387 8.935 -5.391 284 2HE LYS 38 3HE LYS 38 11.670 8.601 -4.213 285 1HZ LYS 38 1HZ LYS 38 11.323 6.247 -4.589 286 2HZ LYS 38 2HZ LYS 38 10.229 6.556 -5.778 287 3HZ LYS 38 3HZ LYS 38 11.795 7.016 -5.960 288 H LYS 39 H LYS 39 3.359 6.825 -3.652 289 HA LYS 39 HA LYS 39 2.959 6.301 -0.786 290 1HB LYS 39 2HB LYS 39 2.620 8.888 -1.762 291 2HB LYS 39 3HB LYS 39 0.995 8.215 -1.947 292 1HG LYS 39 2HG LYS 39 1.189 7.462 0.500 293 2HG LYS 39 3HG LYS 39 2.710 8.389 0.554 294 1HD LYS 39 2HD LYS 39 1.324 10.411 -0.221 295 2HD LYS 39 3HD LYS 39 -0.119 9.401 0.031 296 1HE LYS 39 2HE LYS 39 0.724 9.013 2.432 297 2HE LYS 39 3HE LYS 39 1.952 10.257 2.117 298 1HZ LYS 39 1HZ LYS 39 0.098 11.232 3.185 299 2HZ LYS 39 2HZ LYS 39 -0.029 11.739 1.613 300 3HZ LYS 39 3HZ LYS 39 -0.971 10.519 2.236 301 H VAL 40 H VAL 40 1.079 5.253 -0.206 302 HA VAL 40 HA VAL 40 -0.775 4.429 -2.325 303 HB VAL 40 HB VAL 40 0.307 2.618 -0.115 304 1HG1 VAL 40 1HG1 VAL 40 -1.438 2.068 -2.552 305 2HG1 VAL 40 2HG1 VAL 40 -0.914 0.868 -1.345 306 3HG1 VAL 40 3HG1 VAL 40 -2.004 2.191 -0.876 307 1HG2 VAL 40 1HG2 VAL 40 2.075 3.004 -1.818 308 2HG2 VAL 40 2HG2 VAL 40 1.443 1.358 -1.839 309 3HG2 VAL 40 3HG2 VAL 40 0.911 2.519 -3.085 310 H CYS 41 H CYS 41 -2.890 4.910 -1.557 311 HA CYS 41 HA CYS 41 -3.204 5.397 1.383 312 1HB CYS 41 2HB CYS 41 -4.850 6.701 -0.799 313 2HB CYS 41 3HB CYS 41 -4.731 7.091 0.887 314 HG CYS 41 HG CYS 41 -3.723 9.019 -0.512 315 H ILE 42 H ILE 42 -4.180 3.648 2.259 316 HA ILE 42 HA ILE 42 -6.016 2.243 0.456 317 HB ILE 42 HB ILE 42 -4.787 1.044 2.939 318 1HG1 ILE 42 2HG1 ILE 42 -3.684 1.187 0.122 319 2HG1 ILE 42 3HG1 ILE 42 -2.939 1.866 1.577 320 1HG2 ILE 42 1HG2 ILE 42 -5.347 -1.067 1.555 321 2HG2 ILE 42 2HG2 ILE 42 -6.753 -0.092 1.978 322 3HG2 ILE 42 3HG2 ILE 42 -6.066 -0.016 0.356 323 1HD1 ILE 42 1HD1 ILE 42 -3.203 -1.093 1.051 324 2HD1 ILE 42 2HD1 ILE 42 -1.779 -0.090 0.806 325 3HD1 ILE 42 3HD1 ILE 42 -2.372 -0.330 2.433 326 H GLU 43 H GLU 43 -8.112 2.217 0.789 327 HA GLU 43 HA GLU 43 -9.215 2.958 3.462 328 1HB GLU 43 2HB GLU 43 -9.640 4.253 0.759 329 2HB GLU 43 3HB GLU 43 -10.923 4.286 1.973 330 1HG GLU 43 2HG GLU 43 -9.586 5.446 3.561 331 2HG GLU 43 3HG GLU 43 -8.082 5.116 2.679 332 H SER 44 H SER 44 -9.981 0.979 4.018 333 HA SER 44 HA SER 44 -12.215 -0.105 2.536 334 1HB SER 44 2HB SER 44 -10.180 -1.120 1.373 335 2HB SER 44 3HB SER 44 -9.808 -1.935 2.902 336 HG SER 44 HG SER 44 -11.238 -3.173 1.409 337 H GLU 45 H GLU 45 -12.644 -2.350 3.637 338 HA GLU 45 HA GLU 45 -12.703 -2.010 6.625 339 1HB GLU 45 2HB GLU 45 -14.261 -3.742 4.660 340 2HB GLU 45 3HB GLU 45 -14.316 -3.980 6.404 341 1HG GLU 45 2HG GLU 45 -16.080 -2.407 4.991 342 2HG GLU 45 3HG GLU 45 -15.790 -2.331 6.729 343 H HIS 46 H HIS 46 -10.266 -2.278 6.050 344 HA HIS 46 HA HIS 46 -9.614 -5.035 6.893 345 1HB HIS 46 2HB HIS 46 -8.293 -3.550 4.579 346 2HB HIS 46 3HB HIS 46 -7.549 -4.907 5.429 347 HD1 HIS 46 1HD HIS 46 -9.257 -7.243 5.390 348 HD2 HIS 46 2HD HIS 46 -9.389 -4.334 2.359 349 HE1 HIS 46 1HE HIS 46 -10.036 -8.423 3.266 350 H SER 47 H SER 47 -8.258 -4.857 8.663 351 HA SER 47 HA SER 47 -7.756 -2.206 9.668 352 1HB SER 47 2HB SER 47 -8.222 -4.334 11.027 353 2HB SER 47 3HB SER 47 -6.510 -4.741 10.780 354 HG SER 47 HG SER 47 -6.012 -3.223 12.196 355 H MET 48 H MET 48 -5.792 -1.193 10.055 356 HA MET 48 HA MET 48 -3.890 -1.193 8.031 357 1HB MET 48 2HB MET 48 -2.472 0.142 9.350 358 2HB MET 48 3HB MET 48 -4.138 0.680 9.578 359 1HG MET 48 2HG MET 48 -2.738 -1.177 11.498 360 2HG MET 48 3HG MET 48 -2.616 0.578 11.616 361 1HE MET 48 1HE MET 48 -4.925 -0.569 14.633 362 2HE MET 48 2HE MET 48 -3.620 -1.527 13.900 363 3HE MET 48 3HE MET 48 -3.385 0.214 14.196 364 H ASP 49 H ASP 49 -3.970 -3.245 10.923 365 HA ASP 49 HA ASP 49 -1.357 -4.295 10.778 366 1HB ASP 49 2HB ASP 49 -3.754 -5.949 11.657 367 2HB ASP 49 3HB ASP 49 -2.120 -5.905 12.317 368 H THR 50 H THR 50 -4.449 -5.575 9.549 369 HA THR 50 HA THR 50 -3.600 -7.889 8.267 370 HB THR 50 HB THR 50 -5.862 -6.112 7.266 371 HG1 THR 50 1HG THR 50 -5.792 -7.553 9.703 372 1HG2 THR 50 1HG2 THR 50 -7.072 -8.244 7.123 373 2HG2 THR 50 2HG2 THR 50 -5.550 -8.348 6.216 374 3HG2 THR 50 3HG2 THR 50 -5.686 -9.112 7.813 375 H LEU 51 H LEU 51 -3.955 -4.555 7.066 376 HA LEU 51 HA LEU 51 -3.066 -5.057 4.367 377 1HB LEU 51 2HB LEU 51 -2.976 -2.520 6.055 378 2HB LEU 51 3HB LEU 51 -2.553 -2.653 4.346 379 HG LEU 51 HG LEU 51 -5.282 -2.856 5.656 380 1HD1 LEU 51 1HD1 LEU 51 -5.716 -1.127 3.937 381 2HD1 LEU 51 2HD1 LEU 51 -4.273 -0.695 4.887 382 3HD1 LEU 51 3HD1 LEU 51 -4.073 -1.408 3.277 383 1HD2 LEU 51 1HD2 LEU 51 -6.196 -3.451 3.406 384 2HD2 LEU 51 2HD2 LEU 51 -4.554 -3.825 2.847 385 3HD2 LEU 51 3HD2 LEU 51 -5.311 -4.788 4.144 386 H LEU 52 H LEU 52 -1.346 -3.586 7.165 387 HA LEU 52 HA LEU 52 1.110 -3.159 6.183 388 1HB LEU 52 2HB LEU 52 0.156 -3.948 8.869 389 2HB LEU 52 3HB LEU 52 1.881 -4.005 8.527 390 HG LEU 52 HG LEU 52 0.260 -1.564 7.784 391 1HD1 LEU 52 1HD1 LEU 52 0.857 -0.552 9.893 392 2HD1 LEU 52 2HD1 LEU 52 -0.203 -1.958 10.098 393 3HD1 LEU 52 3HD1 LEU 52 1.534 -2.114 10.452 394 1HD2 LEU 52 1HD2 LEU 52 2.425 -0.453 7.938 395 2HD2 LEU 52 2HD2 LEU 52 3.175 -1.876 8.692 396 3HD2 LEU 52 3HD2 LEU 52 2.718 -1.910 6.982 397 H ALA 53 H ALA 53 0.145 -6.220 7.792 398 HA ALA 53 HA ALA 53 2.530 -7.643 7.371 399 1HB ALA 53 1HB ALA 53 0.685 -8.393 8.844 400 2HB ALA 53 2HB ALA 53 -0.340 -8.697 7.424 401 3HB ALA 53 3HB ALA 53 1.128 -9.665 7.688 402 H THR 54 H THR 54 -0.195 -7.106 5.082 403 HA THR 54 HA THR 54 1.026 -8.928 3.143 404 HB THR 54 HB THR 54 -1.489 -7.279 3.208 405 HG1 THR 54 1HG THR 54 -1.785 -9.088 4.286 406 1HG2 THR 54 1HG2 THR 54 -0.284 -8.855 0.908 407 2HG2 THR 54 2HG2 THR 54 -2.026 -8.627 1.094 408 3HG2 THR 54 3HG2 THR 54 -0.970 -7.211 0.920 409 H LEU 55 H LEU 55 0.735 -5.372 3.584 410 HA LEU 55 HA LEU 55 1.690 -4.806 0.962 411 1HB LEU 55 2HB LEU 55 0.700 -3.402 3.259 412 2HB LEU 55 3HB LEU 55 2.266 -2.681 2.815 413 HG LEU 55 HG LEU 55 -0.330 -2.787 1.306 414 1HD1 LEU 55 1HD1 LEU 55 1.598 -0.643 2.329 415 2HD1 LEU 55 2HD1 LEU 55 0.263 -0.270 1.267 416 3HD1 LEU 55 3HD1 LEU 55 -0.063 -0.979 2.862 417 1HD2 LEU 55 1HD2 LEU 55 1.201 -3.275 -0.451 418 2HD2 LEU 55 2HD2 LEU 55 0.878 -1.541 -0.497 419 3HD2 LEU 55 3HD2 LEU 55 2.415 -2.129 0.194 420 H LYS 56 H LYS 56 3.221 -5.300 4.132 421 HA LYS 56 HA LYS 56 5.925 -4.809 3.521 422 1HB LYS 56 2HB LYS 56 4.378 -6.421 5.505 423 2HB LYS 56 3HB LYS 56 5.955 -7.053 5.156 424 1HG LYS 56 2HG LYS 56 5.989 -5.569 7.031 425 2HG LYS 56 3HG LYS 56 7.073 -5.036 5.735 426 1HD LYS 56 2HD LYS 56 5.355 -3.300 5.085 427 2HD LYS 56 3HD LYS 56 4.353 -3.833 6.446 428 1HE LYS 56 2HE LYS 56 6.104 -3.214 8.046 429 2HE LYS 56 3HE LYS 56 7.254 -2.872 6.744 430 1HZ LYS 56 1HZ LYS 56 6.269 -0.904 7.726 431 2HZ LYS 56 2HZ LYS 56 6.021 -0.958 6.126 432 3HZ LYS 56 3HZ LYS 56 4.787 -1.323 7.162 433 H LYS 57 H LYS 57 3.896 -7.407 2.255 434 HA LYS 57 HA LYS 57 6.078 -9.155 1.583 435 1HB LYS 57 2HB LYS 57 3.373 -8.917 0.240 436 2HB LYS 57 3HB LYS 57 4.514 -10.241 0.050 437 1HG LYS 57 2HG LYS 57 4.293 -10.958 2.325 438 2HG LYS 57 3HG LYS 57 3.430 -9.490 2.788 439 1HD LYS 57 2HD LYS 57 1.573 -10.101 1.260 440 2HD LYS 57 3HD LYS 57 2.367 -11.637 0.904 441 1HE LYS 57 2HE LYS 57 1.992 -12.513 3.043 442 2HE LYS 57 3HE LYS 57 1.908 -10.939 3.824 443 1HZ LYS 57 1HZ LYS 57 -0.293 -10.604 2.973 444 2HZ LYS 57 2HZ LYS 57 -0.210 -11.979 2.062 445 3HZ LYS 57 3HZ LYS 57 -0.217 -12.059 3.700 446 H THR 58 H THR 58 5.183 -6.048 0.253 447 HA THR 58 HA THR 58 6.490 -6.332 -2.320 448 HB THR 58 HB THR 58 6.875 -3.925 -2.144 449 HG1 THR 58 1HG THR 58 5.605 -3.958 0.376 450 1HG2 THR 58 1HG2 THR 58 4.532 -3.188 -1.878 451 2HG2 THR 58 2HG2 THR 58 4.700 -4.625 -2.921 452 3HG2 THR 58 3HG2 THR 58 4.108 -4.787 -1.254 453 H GLY 59 H GLY 59 7.521 -5.762 0.998 454 1HA GLY 59 2HA GLY 59 9.442 -5.754 2.047 455 2HA GLY 59 3HA GLY 59 10.142 -6.790 0.778 456 H LYS 60 H LYS 60 8.847 -3.465 0.568 457 HA LYS 60 HA LYS 60 11.548 -2.400 -0.203 458 1HB LYS 60 2HB LYS 60 8.795 -1.216 -0.678 459 2HB LYS 60 3HB LYS 60 10.346 -0.637 -1.306 460 1HG LYS 60 2HG LYS 60 10.576 -2.517 -2.799 461 2HG LYS 60 3HG LYS 60 9.225 -3.358 -2.055 462 1HD LYS 60 2HD LYS 60 8.533 -2.325 -4.200 463 2HD LYS 60 3HD LYS 60 7.605 -1.777 -2.805 464 1HE LYS 60 2HE LYS 60 8.060 0.141 -4.180 465 2HE LYS 60 3HE LYS 60 8.940 0.322 -2.687 466 1HZ LYS 60 1HZ LYS 60 10.899 -0.623 -4.001 467 2HZ LYS 60 2HZ LYS 60 9.967 -0.313 -5.358 468 3HZ LYS 60 3HZ LYS 60 10.368 0.899 -4.342 469 H THR 61 H THR 61 11.525 0.120 0.380 470 HA THR 61 HA THR 61 10.923 0.662 3.093 471 HB THR 61 HB THR 61 11.112 2.668 0.922 472 HG1 THR 61 1HG THR 61 13.336 2.389 0.903 473 1HG2 THR 61 1HG2 THR 61 12.284 2.587 3.735 474 2HG2 THR 61 2HG2 THR 61 12.395 3.949 2.600 475 3HG2 THR 61 3HG2 THR 61 10.817 3.473 3.257 476 H VAL 62 H VAL 62 8.773 -0.308 3.051 477 HA VAL 62 HA VAL 62 6.608 1.611 2.284 478 HB VAL 62 HB VAL 62 5.994 -0.331 1.400 479 1HG1 VAL 62 1HG1 VAL 62 7.448 -2.011 2.235 480 2HG1 VAL 62 2HG1 VAL 62 6.859 -1.813 3.903 481 3HG1 VAL 62 3HG1 VAL 62 5.815 -2.522 2.649 482 1HG2 VAL 62 1HG2 VAL 62 4.254 0.756 2.911 483 2HG2 VAL 62 2HG2 VAL 62 3.959 -0.922 2.424 484 3HG2 VAL 62 3HG2 VAL 62 4.545 -0.567 4.055 485 H SER 63 H SER 63 6.836 3.126 3.709 486 HA SER 63 HA SER 63 6.968 2.642 6.631 487 1HB SER 63 2HB SER 63 6.834 5.229 5.017 488 2HB SER 63 3HB SER 63 7.172 5.091 6.749 489 HG SER 63 HG SER 63 9.097 5.239 5.441 490 H TYR 64 H TYR 64 5.169 3.061 7.998 491 HA TYR 64 HA TYR 64 2.573 3.317 6.642 492 1HB TYR 64 2HB TYR 64 2.934 1.618 8.451 493 2HB TYR 64 3HB TYR 64 3.199 2.931 9.593 494 HD1 TYR 64 HD1 TYR 64 0.641 2.357 6.851 495 HD2 TYR 64 HD2 TYR 64 1.320 3.060 11.055 496 HE1 TYR 64 HE1 TYR 64 -1.731 2.786 7.157 497 HE2 TYR 64 HE2 TYR 64 -1.118 3.293 11.391 498 HH TYR 64 HH TYR 64 -3.198 3.269 10.382 499 H LEU 65 H LEU 65 1.225 5.077 6.882 500 HA LEU 65 HA LEU 65 2.317 7.553 8.164 501 1HB LEU 65 2HB LEU 65 0.681 7.073 5.660 502 2HB LEU 65 3HB LEU 65 0.669 8.623 6.451 503 HG LEU 65 HG LEU 65 2.248 8.134 4.421 504 1HD1 LEU 65 1HD1 LEU 65 2.097 10.255 5.601 505 2HD1 LEU 65 2HD1 LEU 65 3.193 9.650 6.872 506 3HD1 LEU 65 3HD1 LEU 65 3.789 9.860 5.208 507 1HD2 LEU 65 1HD2 LEU 65 3.500 6.229 5.402 508 2HD2 LEU 65 2HD2 LEU 65 4.550 7.596 5.009 509 3HD2 LEU 65 3HD2 LEU 65 4.115 7.307 6.682 510 H GLY 66 H GLY 66 0.242 9.032 8.540 511 1HA GLY 66 2HA GLY 66 -0.959 8.072 10.821 512 2HA GLY 66 3HA GLY 66 -1.594 9.405 9.845 513 H LEU 67 H LEU 67 -2.900 7.208 11.403 514 HA LEU 67 HA LEU 67 -4.631 5.891 9.436 515 1HB LEU 67 2HB LEU 67 -3.882 4.757 11.519 516 2HB LEU 67 3HB LEU 67 -4.630 6.009 12.501 517 HG LEU 67 HG LEU 67 -6.366 4.608 10.496 518 1HD1 LEU 67 1HD1 LEU 67 -5.120 2.725 11.431 519 2HD1 LEU 67 2HD1 LEU 67 -5.380 3.326 13.084 520 3HD1 LEU 67 3HD1 LEU 67 -6.749 2.731 12.129 521 1HD2 LEU 67 1HD2 LEU 67 -6.826 5.401 13.412 522 2HD2 LEU 67 2HD2 LEU 67 -7.327 6.368 12.016 523 3HD2 LEU 67 3HD2 LEU 67 -8.051 4.783 12.286 524 H GLU 68 H GLU 68 -6.813 6.718 9.109 525 HA GLU 68 HA GLU 68 -7.787 8.809 10.874 526 1HB GLU 68 2HB GLU 68 -7.962 9.260 7.870 527 2HB GLU 68 3HB GLU 68 -8.549 10.289 9.161 528 1HG GLU 68 2HG GLU 68 -6.209 10.727 9.890 529 2HG GLU 68 3HG GLU 68 -5.604 9.732 8.555 Start of MODEL 4 1 1H MET 1 H1 MET 1 -11.111 7.162 9.165 2 2H MET 1 H2 MET 1 -12.370 7.561 10.187 3 3H MET 1 H3 MET 1 -10.809 7.345 10.664 4 HA MET 1 HA MET 1 -11.505 5.390 11.373 5 1HB MET 1 2HB MET 1 -13.661 5.292 9.239 6 2HB MET 1 3HB MET 1 -13.428 4.179 10.624 7 1HG MET 1 2HG MET 1 -15.085 5.599 11.358 8 2HG MET 1 3HG MET 1 -13.619 6.216 12.120 9 1HE MET 1 1HE MET 1 -15.465 9.557 11.672 10 2HE MET 1 2HE MET 1 -16.018 7.994 12.318 11 3HE MET 1 3HE MET 1 -14.386 8.596 12.710 12 HA PRO 2 HA PRO 2 -9.159 2.732 8.894 13 1HB PRO 2 2HB PRO 2 -10.093 0.855 7.234 14 2HB PRO 2 3HB PRO 2 -10.561 0.873 8.956 15 1HG PRO 2 2HG PRO 2 -12.110 2.092 6.641 16 2HG PRO 2 3HG PRO 2 -12.713 0.908 7.840 17 1HD PRO 2 2HD PRO 2 -13.102 3.536 8.142 18 2HD PRO 2 3HD PRO 2 -12.671 2.506 9.557 19 H LYS 3 H LYS 3 -8.874 5.052 7.861 20 HA LYS 3 HA LYS 3 -8.113 4.665 4.986 21 1HB LYS 3 2HB LYS 3 -8.265 7.022 6.884 22 2HB LYS 3 3HB LYS 3 -7.093 7.005 5.570 23 1HG LYS 3 2HG LYS 3 -8.764 6.808 3.880 24 2HG LYS 3 3HG LYS 3 -10.072 6.670 5.080 25 1HD LYS 3 2HD LYS 3 -9.675 8.882 5.910 26 2HD LYS 3 3HD LYS 3 -8.099 8.979 5.078 27 1HE LYS 3 2HE LYS 3 -9.208 9.029 2.897 28 2HE LYS 3 3HE LYS 3 -10.796 9.033 3.688 29 1HZ LYS 3 1HZ LYS 3 -9.825 11.277 3.103 30 2HZ LYS 3 2HZ LYS 3 -10.287 11.101 4.684 31 3HZ LYS 3 3HZ LYS 3 -8.725 11.039 4.325 32 H HIS 4 H HIS 4 -6.180 3.623 4.840 33 HA HIS 4 HA HIS 4 -4.201 3.900 7.071 34 1HB HIS 4 2HB HIS 4 -4.746 1.346 5.535 35 2HB HIS 4 3HB HIS 4 -3.591 1.592 6.844 36 HD1 HIS 4 1HD HIS 4 -6.659 -0.192 6.617 37 HD2 HIS 4 2HD HIS 4 -5.256 2.946 9.061 38 HE1 HIS 4 1HE HIS 4 -8.140 -0.143 8.653 39 H GLU 5 H GLU 5 -2.940 5.370 6.104 40 HA GLU 5 HA GLU 5 -2.129 5.009 3.307 41 1HB GLU 5 2HB GLU 5 -1.937 7.246 5.322 42 2HB GLU 5 3HB GLU 5 -1.024 7.300 3.812 43 1HG GLU 5 2HG GLU 5 -3.223 8.526 3.811 44 2HG GLU 5 3HG GLU 5 -3.065 7.291 2.566 45 H PHE 6 H PHE 6 -0.118 4.653 2.572 46 HA PHE 6 HA PHE 6 2.068 4.228 4.538 47 1HB PHE 6 2HB PHE 6 1.356 2.399 2.216 48 2HB PHE 6 3HB PHE 6 2.720 2.212 3.315 49 HD1 PHE 6 1HD PHE 6 2.411 1.213 5.545 50 HD2 PHE 6 2HD PHE 6 -1.006 2.083 3.054 51 HE1 PHE 6 1HE PHE 6 0.887 0.283 7.240 52 HE2 PHE 6 2HE PHE 6 -2.461 0.882 4.644 53 HZ PHE 6 HZ PHE 6 -1.516 -0.041 6.749 54 H SER 7 H SER 7 4.031 4.904 3.835 55 HA SER 7 HA SER 7 4.156 6.158 1.112 56 1HB SER 7 2HB SER 7 4.512 7.719 3.060 57 2HB SER 7 3HB SER 7 5.992 6.796 3.420 58 HG SER 7 HG SER 7 6.564 7.331 1.146 59 H VAL 8 H VAL 8 5.684 5.339 -0.212 60 HA VAL 8 HA VAL 8 7.218 2.951 0.683 61 HB VAL 8 HB VAL 8 5.656 3.255 -1.902 62 1HG1 VAL 8 1HG1 VAL 8 5.934 0.697 -1.913 63 2HG1 VAL 8 2HG1 VAL 8 7.395 1.595 -2.251 64 3HG1 VAL 8 3HG1 VAL 8 7.137 0.904 -0.631 65 1HG2 VAL 8 1HG2 VAL 8 4.099 1.548 -0.912 66 2HG2 VAL 8 2HG2 VAL 8 4.913 1.765 0.645 67 3HG2 VAL 8 3HG2 VAL 8 4.019 3.107 -0.098 68 H ASP 9 H ASP 9 8.790 2.504 -1.305 69 HA ASP 9 HA ASP 9 9.525 5.053 -2.640 70 1HB ASP 9 2HB ASP 9 11.441 4.446 -1.271 71 2HB ASP 9 3HB ASP 9 11.493 2.832 -2.031 72 H MET 10 H MET 10 7.643 4.338 -3.879 73 HA MET 10 HA MET 10 7.978 2.136 -5.690 74 1HB MET 10 2HB MET 10 6.075 4.501 -5.644 75 2HB MET 10 3HB MET 10 5.977 3.212 -6.847 76 1HG MET 10 2HG MET 10 5.071 1.708 -5.409 77 2HG MET 10 3HG MET 10 5.985 2.291 -4.026 78 1HE MET 10 1HE MET 10 3.701 4.483 -6.388 79 2HE MET 10 2HE MET 10 2.844 2.926 -6.287 80 3HE MET 10 3HE MET 10 2.155 4.380 -5.518 81 H THR 11 H THR 11 10.219 2.855 -6.222 82 HA THR 11 HA THR 11 10.573 5.368 -7.548 83 HB THR 11 HB THR 11 12.312 4.314 -6.182 84 HG1 THR 11 1HG THR 11 12.839 4.969 -8.874 85 1HG2 THR 11 1HG2 THR 11 12.695 2.391 -8.522 86 2HG2 THR 11 2HG2 THR 11 13.738 2.563 -7.097 87 3HG2 THR 11 3HG2 THR 11 12.085 1.956 -6.909 88 H CYS 12 HN CYS 12 9.088 2.665 -8.929 89 HA CYS 12 HA CYS 12 9.192 4.047 -11.428 90 1HB CYS 12 2HB CYS 12 9.954 2.266 -12.849 91 2HB CYS 12 3HB CYS 12 11.199 2.534 -11.637 92 H GLY 13 H GLY 13 7.578 3.030 -12.918 93 1HA GLY 13 2HA GLY 13 5.062 2.561 -11.827 94 2HA GLY 13 3HA GLY 13 5.586 2.026 -13.429 95 H GLY 14 H GLY 14 7.668 0.234 -12.508 96 1HA GLY 14 2HA GLY 14 6.241 -2.165 -12.238 97 2HA GLY 14 3HA GLY 14 7.973 -1.923 -11.894 98 H CYS 15 HN CYS 15 7.583 0.028 -9.710 99 HA CYS 15 HA CYS 15 7.183 -1.835 -7.524 100 1HB CYS 15 2HB CYS 15 7.249 1.181 -7.583 101 2HB CYS 15 3HB CYS 15 7.261 0.148 -6.138 102 H ALA 16 H ALA 16 5.219 0.772 -9.048 103 HA ALA 16 HA ALA 16 3.004 0.588 -7.239 104 1HB ALA 16 1HB ALA 16 3.232 2.482 -8.755 105 2HB ALA 16 2HB ALA 16 3.035 1.429 -10.173 106 3HB ALA 16 3HB ALA 16 1.696 1.647 -9.039 107 H GLU 17 H GLU 17 3.694 -1.061 -10.367 108 HA GLU 17 HA GLU 17 1.451 -2.711 -10.474 109 1HB GLU 17 2HB GLU 17 3.419 -2.478 -12.170 110 2HB GLU 17 3HB GLU 17 4.229 -3.715 -11.199 111 1HG GLU 17 2HG GLU 17 1.959 -5.041 -11.475 112 2HG GLU 17 3HG GLU 17 1.661 -3.876 -12.773 113 H ALA 18 H ALA 18 4.604 -3.377 -8.844 114 HA ALA 18 HA ALA 18 3.939 -5.914 -7.787 115 1HB ALA 18 1HB ALA 18 5.795 -5.544 -6.235 116 2HB ALA 18 2HB ALA 18 6.243 -4.969 -7.859 117 3HB ALA 18 3HB ALA 18 5.787 -3.809 -6.589 118 H VAL 19 H VAL 19 3.619 -2.667 -6.197 119 HA VAL 19 HA VAL 19 2.579 -3.566 -3.763 120 HB VAL 19 HB VAL 19 2.101 -1.055 -5.445 121 1HG1 VAL 19 1HG1 VAL 19 1.227 -0.145 -3.260 122 2HG1 VAL 19 2HG1 VAL 19 0.172 -1.310 -4.050 123 3HG1 VAL 19 3HG1 VAL 19 1.194 -1.848 -2.685 124 1HG2 VAL 19 1HG2 VAL 19 3.612 -1.268 -2.826 125 2HG2 VAL 19 2HG2 VAL 19 4.439 -1.499 -4.381 126 3HG2 VAL 19 3HG2 VAL 19 3.635 0.038 -4.013 127 H SER 20 H SER 20 0.944 -2.653 -6.813 128 HA SER 20 HA SER 20 -1.689 -3.074 -5.902 129 1HB SER 20 2HB SER 20 -0.717 -2.005 -8.128 130 2HB SER 20 3HB SER 20 -0.886 -3.626 -8.792 131 HG SER 20 HG SER 20 -2.770 -2.351 -9.104 132 H ARG 21 H ARG 21 0.479 -5.306 -7.657 133 HA ARG 21 HA ARG 21 -1.180 -7.545 -7.717 134 1HB ARG 21 2HB ARG 21 0.519 -8.355 -8.770 135 2HB ARG 21 3HB ARG 21 1.438 -6.910 -8.472 136 1HG ARG 21 2HG ARG 21 2.446 -7.904 -6.448 137 2HG ARG 21 3HG ARG 21 1.511 -9.355 -6.671 138 1HD ARG 21 2HD ARG 21 4.007 -8.409 -7.985 139 2HD ARG 21 3HD ARG 21 3.455 -10.036 -7.686 140 HE ARG 21 HE ARG 21 2.266 -10.093 -9.722 141 1HH1 ARG 21 2HH2 ARG 21 4.071 -6.982 -9.420 142 2HH1 ARG 21 1HH2 ARG 21 3.861 -6.673 -11.144 143 1HH2 ARG 21 2HH1 ARG 21 2.117 -9.471 -12.027 144 2HH2 ARG 21 1HH1 ARG 21 2.862 -7.927 -12.457 145 H VAL 22 H VAL 22 0.984 -6.453 -5.053 146 HA VAL 22 HA VAL 22 0.742 -8.775 -3.442 147 HB VAL 22 HB VAL 22 1.788 -5.950 -3.349 148 1HG1 VAL 22 1HG1 VAL 22 2.429 -6.181 -1.006 149 2HG1 VAL 22 2HG1 VAL 22 0.721 -5.864 -1.353 150 3HG1 VAL 22 3HG1 VAL 22 1.245 -7.518 -0.875 151 1HG2 VAL 22 1HG2 VAL 22 3.061 -8.556 -2.586 152 2HG2 VAL 22 2HG2 VAL 22 3.134 -7.784 -4.190 153 3HG2 VAL 22 3HG2 VAL 22 3.822 -6.943 -2.788 154 H LEU 23 H LEU 23 -0.825 -5.558 -3.393 155 HA LEU 23 HA LEU 23 -2.590 -6.178 -1.211 156 1HB LEU 23 2HB LEU 23 -2.181 -3.983 -3.153 157 2HB LEU 23 3HB LEU 23 -3.810 -4.093 -2.629 158 HG LEU 23 HG LEU 23 -1.416 -4.137 -0.722 159 1HD1 LEU 23 1HD1 LEU 23 -3.110 -1.756 -1.573 160 2HD1 LEU 23 2HD1 LEU 23 -1.708 -1.758 -0.466 161 3HD1 LEU 23 3HD1 LEU 23 -1.468 -2.078 -2.180 162 1HD2 LEU 23 1HD2 LEU 23 -4.339 -3.392 -0.367 163 2HD2 LEU 23 2HD2 LEU 23 -3.675 -4.933 0.198 164 3HD2 LEU 23 3HD2 LEU 23 -3.127 -3.411 0.931 165 H ASN 24 H ASN 24 -2.866 -6.521 -4.758 166 HA ASN 24 HA ASN 24 -5.621 -7.195 -4.816 167 1HB ASN 24 2HB ASN 24 -4.387 -6.584 -6.825 168 2HB ASN 24 3HB ASN 24 -3.376 -8.031 -6.686 169 1HD2 ASN 24 1HD2 ASN 24 -6.632 -8.802 -5.768 170 2HD2 ASN 24 2HD2 ASN 24 -7.075 -9.441 -7.331 171 H LYS 25 H LYS 25 -2.670 -9.208 -4.304 172 HA LYS 25 HA LYS 25 -3.889 -11.692 -4.147 173 1HB LYS 25 2HB LYS 25 -1.400 -10.922 -3.677 174 2HB LYS 25 3HB LYS 25 -1.906 -10.960 -1.986 175 1HG LYS 25 2HG LYS 25 -2.806 -13.288 -2.374 176 2HG LYS 25 3HG LYS 25 -2.088 -13.241 -4.002 177 1HD LYS 25 2HD LYS 25 0.158 -12.824 -2.950 178 2HD LYS 25 3HD LYS 25 -0.569 -13.020 -1.353 179 1HE LYS 25 2HE LYS 25 -0.410 -15.116 -3.586 180 2HE LYS 25 3HE LYS 25 0.541 -15.103 -2.096 181 1HZ LYS 25 1HZ LYS 25 -2.383 -15.450 -2.270 182 2HZ LYS 25 2HZ LYS 25 -1.283 -16.619 -1.932 183 3HZ LYS 25 3HZ LYS 25 -1.525 -15.391 -0.866 184 H LEU 26 H LEU 26 -3.867 -9.189 -1.634 185 HA LEU 26 HA LEU 26 -5.517 -10.619 0.292 186 1HB LEU 26 2HB LEU 26 -4.124 -8.817 0.972 187 2HB LEU 26 3HB LEU 26 -4.881 -7.678 -0.120 188 HG LEU 26 HG LEU 26 -5.678 -6.970 1.838 189 1HD1 LEU 26 1HD1 LEU 26 -7.591 -7.475 0.332 190 2HD1 LEU 26 2HD1 LEU 26 -7.912 -8.928 1.338 191 3HD1 LEU 26 3HD1 LEU 26 -7.894 -7.329 2.065 192 1HD2 LEU 26 1HD2 LEU 26 -4.772 -8.733 3.264 193 2HD2 LEU 26 2HD2 LEU 26 -6.442 -8.313 3.690 194 3HD2 LEU 26 3HD2 LEU 26 -6.103 -9.820 2.791 195 H GLY 27 H GLY 27 -6.274 -8.052 -2.138 196 1HA GLY 27 2HA GLY 27 -7.883 -8.400 -3.822 197 2HA GLY 27 3HA GLY 27 -8.748 -9.567 -2.835 198 H GLY 28 H GLY 28 -9.563 -8.343 -0.621 199 1HA GLY 28 2HA GLY 28 -11.676 -6.675 -1.642 200 2HA GLY 28 3HA GLY 28 -11.418 -7.161 0.035 201 H VAL 29 H VAL 29 -9.268 -5.251 -2.070 202 HA VAL 29 HA VAL 29 -9.220 -3.039 -0.055 203 HB VAL 29 HB VAL 29 -6.808 -2.853 -0.818 204 1HG1 VAL 29 1HG1 VAL 29 -6.047 -4.943 0.487 205 2HG1 VAL 29 2HG1 VAL 29 -7.160 -3.836 1.315 206 3HG1 VAL 29 3HG1 VAL 29 -7.748 -5.357 0.615 207 1HG2 VAL 29 1HG2 VAL 29 -5.722 -4.631 -1.909 208 2HG2 VAL 29 2HG2 VAL 29 -7.108 -5.719 -1.802 209 3HG2 VAL 29 3HG2 VAL 29 -7.141 -4.352 -2.923 210 H LYS 30 H LYS 30 -9.094 -0.884 -0.934 211 HA LYS 30 HA LYS 30 -8.357 -0.685 -3.715 212 1HB LYS 30 2HB LYS 30 -10.948 0.449 -2.667 213 2HB LYS 30 3HB LYS 30 -10.018 1.370 -3.845 214 1HG LYS 30 2HG LYS 30 -11.019 -1.474 -4.308 215 2HG LYS 30 3HG LYS 30 -11.800 0.004 -4.811 216 1HD LYS 30 2HD LYS 30 -10.788 -0.444 -6.768 217 2HD LYS 30 3HD LYS 30 -9.582 0.615 -6.064 218 1HE LYS 30 2HE LYS 30 -8.742 -1.385 -7.331 219 2HE LYS 30 3HE LYS 30 -8.040 -1.204 -5.739 220 1HZ LYS 30 1HZ LYS 30 -9.485 -2.904 -4.928 221 2HZ LYS 30 2HZ LYS 30 -10.269 -3.037 -6.374 222 3HZ LYS 30 3HZ LYS 30 -8.684 -3.470 -6.232 223 H TYR 31 H TYR 31 -7.263 1.263 -4.152 224 HA TYR 31 HA TYR 31 -6.386 2.764 -1.869 225 1HB TYR 31 2HB TYR 31 -3.971 1.880 -2.275 226 2HB TYR 31 3HB TYR 31 -5.094 0.866 -1.387 227 HD1 TYR 31 HD1 TYR 31 -2.914 0.942 -4.259 228 HD2 TYR 31 HD2 TYR 31 -6.161 -1.142 -2.370 229 HE1 TYR 31 HE1 TYR 31 -2.659 -0.931 -5.869 230 HE2 TYR 31 HE2 TYR 31 -6.051 -2.896 -4.123 231 HH TYR 31 HH TYR 31 -3.702 -2.839 -6.784 232 H ASP 32 H ASP 32 -5.081 4.521 -2.467 233 HA ASP 32 HA ASP 32 -5.096 5.143 -5.385 234 1HB ASP 32 2HB ASP 32 -6.170 6.869 -3.927 235 2HB ASP 32 3HB ASP 32 -4.640 7.044 -3.052 236 H ILE 33 H ILE 33 -3.087 5.925 -6.240 237 HA ILE 33 HA ILE 33 -0.699 4.571 -5.064 238 HB ILE 33 HB ILE 33 -2.098 4.239 -7.748 239 1HG1 ILE 33 2HG1 ILE 33 -1.396 2.190 -5.610 240 2HG1 ILE 33 3HG1 ILE 33 -3.006 2.923 -5.763 241 1HG2 ILE 33 1HG2 ILE 33 0.346 4.284 -8.053 242 2HG2 ILE 33 2HG2 ILE 33 0.520 3.029 -6.806 243 3HG2 ILE 33 3HG2 ILE 33 -0.312 2.676 -8.343 244 1HD1 ILE 33 1HD1 ILE 33 -1.783 0.980 -7.695 245 2HD1 ILE 33 2HD1 ILE 33 -3.398 1.005 -6.946 246 3HD1 ILE 33 3HD1 ILE 33 -3.023 2.147 -8.221 247 H ASP 34 H ASP 34 0.311 6.554 -4.707 248 HA ASP 34 HA ASP 34 0.535 8.447 -7.015 249 1HB ASP 34 2HB ASP 34 -0.046 9.366 -4.782 250 2HB ASP 34 3HB ASP 34 1.533 8.808 -4.190 251 H LEU 35 H LEU 35 2.124 7.932 -8.363 252 HA LEU 35 HA LEU 35 4.481 6.394 -7.553 253 1HB LEU 35 2HB LEU 35 3.368 7.430 -10.130 254 2HB LEU 35 3HB LEU 35 5.115 7.216 -10.014 255 HG LEU 35 HG LEU 35 3.203 5.007 -9.156 256 1HD1 LEU 35 1HD1 LEU 35 3.333 4.017 -11.386 257 2HD1 LEU 35 2HD1 LEU 35 2.587 5.620 -11.474 258 3HD1 LEU 35 3HD1 LEU 35 4.280 5.399 -11.979 259 1HD2 LEU 35 1HD2 LEU 35 5.118 3.524 -9.703 260 2HD2 LEU 35 2HD2 LEU 35 6.047 4.909 -10.292 261 3HD2 LEU 35 3HD2 LEU 35 5.644 4.777 -8.573 262 HA PRO 36 HA PRO 36 6.872 10.397 -8.557 263 1HB PRO 36 2HB PRO 36 5.550 12.847 -8.286 264 2HB PRO 36 3HB PRO 36 5.892 11.995 -9.818 265 1HG PRO 36 2HG PRO 36 3.356 11.931 -8.179 266 2HG PRO 36 3HG PRO 36 3.514 12.128 -9.948 267 1HD PRO 36 2HD PRO 36 2.888 9.759 -8.903 268 2HD PRO 36 3HD PRO 36 4.086 9.819 -10.224 269 H ASN 37 H ASN 37 4.263 10.519 -6.144 270 HA ASN 37 HA ASN 37 6.220 11.504 -4.082 271 1HB ASN 37 2HB ASN 37 3.220 11.218 -3.776 272 2HB ASN 37 3HB ASN 37 4.358 11.886 -2.633 273 1HD2 ASN 37 1HD2 ASN 37 2.306 12.710 -5.248 274 2HD2 ASN 37 2HD2 ASN 37 2.907 14.355 -5.472 275 H LYS 38 H LYS 38 5.352 8.586 -5.346 276 HA LYS 38 HA LYS 38 5.428 6.448 -4.639 277 1HB LYS 38 2HB LYS 38 7.557 7.809 -2.921 278 2HB LYS 38 3HB LYS 38 7.348 6.085 -3.048 279 1HG LYS 38 2HG LYS 38 8.870 6.232 -4.727 280 2HG LYS 38 3HG LYS 38 7.437 6.579 -5.678 281 1HD LYS 38 2HD LYS 38 8.877 8.273 -6.348 282 2HD LYS 38 3HD LYS 38 7.899 9.071 -5.132 283 1HE LYS 38 2HE LYS 38 10.181 9.704 -4.756 284 2HE LYS 38 3HE LYS 38 9.707 8.647 -3.419 285 1HZ LYS 38 1HZ LYS 38 10.926 6.846 -4.462 286 2HZ LYS 38 2HZ LYS 38 11.254 7.754 -5.783 287 3HZ LYS 38 3HZ LYS 38 11.900 8.121 -4.319 288 H LYS 39 H LYS 39 3.079 6.746 -3.698 289 HA LYS 39 HA LYS 39 3.132 5.959 -0.870 290 1HB LYS 39 2HB LYS 39 1.993 8.541 -2.010 291 2HB LYS 39 3HB LYS 39 1.200 7.797 -0.643 292 1HG LYS 39 2HG LYS 39 3.034 8.135 0.800 293 2HG LYS 39 3HG LYS 39 4.172 8.353 -0.536 294 1HD LYS 39 2HD LYS 39 2.975 10.433 -1.199 295 2HD LYS 39 3HD LYS 39 1.987 10.296 0.276 296 1HE LYS 39 2HE LYS 39 4.046 10.396 1.664 297 2HE LYS 39 3HE LYS 39 5.059 10.375 0.212 298 1HZ LYS 39 1HZ LYS 39 3.187 12.533 0.914 299 2HZ LYS 39 2HZ LYS 39 4.826 12.578 1.076 300 3HZ LYS 39 3HZ LYS 39 4.154 12.482 -0.420 301 H VAL 40 H VAL 40 1.190 5.075 -0.154 302 HA VAL 40 HA VAL 40 -0.690 4.115 -2.227 303 HB VAL 40 HB VAL 40 0.650 2.467 -0.049 304 1HG1 VAL 40 1HG1 VAL 40 -0.397 0.575 -1.244 305 2HG1 VAL 40 2HG1 VAL 40 -1.621 1.736 -0.702 306 3HG1 VAL 40 3HG1 VAL 40 -1.133 1.704 -2.407 307 1HG2 VAL 40 1HG2 VAL 40 1.161 2.495 -3.036 308 2HG2 VAL 40 2HG2 VAL 40 2.293 3.063 -1.777 309 3HG2 VAL 40 3HG2 VAL 40 1.862 1.362 -1.838 310 H CYS 41 H CYS 41 -2.661 4.971 -1.486 311 HA CYS 41 HA CYS 41 -3.057 5.285 1.481 312 1HB CYS 41 2HB CYS 41 -4.418 6.769 -0.771 313 2HB CYS 41 3HB CYS 41 -4.591 7.053 0.928 314 HG CYS 41 HG CYS 41 -1.958 7.335 -1.056 315 H ILE 42 H ILE 42 -4.328 3.673 2.331 316 HA ILE 42 HA ILE 42 -5.942 2.249 0.312 317 HB ILE 42 HB ILE 42 -4.888 1.060 2.892 318 1HG1 ILE 42 2HG1 ILE 42 -3.584 1.121 0.158 319 2HG1 ILE 42 3HG1 ILE 42 -2.967 1.851 1.640 320 1HG2 ILE 42 1HG2 ILE 42 -6.051 -0.086 0.301 321 2HG2 ILE 42 2HG2 ILE 42 -5.336 -1.087 1.543 322 3HG2 ILE 42 3HG2 ILE 42 -6.769 -0.137 1.910 323 1HD1 ILE 42 1HD1 ILE 42 -3.168 -1.137 1.224 324 2HD1 ILE 42 2HD1 ILE 42 -1.742 -0.135 1.010 325 3HD1 ILE 42 3HD1 ILE 42 -2.427 -0.298 2.604 326 H GLU 43 H GLU 43 -8.093 1.979 0.532 327 HA GLU 43 HA GLU 43 -9.372 2.519 3.177 328 1HB GLU 43 2HB GLU 43 -10.204 3.489 0.424 329 2HB GLU 43 3HB GLU 43 -11.366 3.269 1.739 330 1HG GLU 43 2HG GLU 43 -10.062 4.745 3.207 331 2HG GLU 43 3HG GLU 43 -8.915 5.060 1.888 332 H SER 44 H SER 44 -10.278 0.775 3.926 333 HA SER 44 HA SER 44 -12.240 -0.656 2.538 334 1HB SER 44 2HB SER 44 -10.325 -1.962 1.638 335 2HB SER 44 3HB SER 44 -9.802 -2.308 3.299 336 HG SER 44 HG SER 44 -11.371 -3.820 2.011 337 H GLU 45 H GLU 45 -12.671 -2.648 4.296 338 HA GLU 45 HA GLU 45 -12.936 -1.659 7.048 339 1HB GLU 45 2HB GLU 45 -14.170 -3.630 6.497 340 2HB GLU 45 3HB GLU 45 -12.789 -4.438 5.751 341 1HG GLU 45 2HG GLU 45 -12.843 -3.792 8.724 342 2HG GLU 45 3HG GLU 45 -13.547 -5.266 8.054 343 H HIS 46 H HIS 46 -10.742 -3.749 5.327 344 HA HIS 46 HA HIS 46 -9.076 -4.809 6.858 345 1HB HIS 46 2HB HIS 46 -8.076 -3.294 4.486 346 2HB HIS 46 3HB HIS 46 -7.250 -4.627 5.322 347 HD1 HIS 46 1HD HIS 46 -9.671 -6.616 5.786 348 HD2 HIS 46 2HD HIS 46 -9.084 -4.367 2.294 349 HE1 HIS 46 1HE HIS 46 -10.457 -8.059 3.818 350 H SER 47 H SER 47 -8.948 -4.057 8.829 351 HA SER 47 HA SER 47 -7.671 -1.972 9.991 352 1HB SER 47 2HB SER 47 -8.447 -4.167 11.036 353 2HB SER 47 3HB SER 47 -6.820 -4.796 10.708 354 HG SER 47 HG SER 47 -6.021 -3.433 12.234 355 H MET 48 H MET 48 -5.674 -1.098 10.208 356 HA MET 48 HA MET 48 -3.846 -1.157 8.154 357 1HB MET 48 2HB MET 48 -2.198 -0.137 9.721 358 2HB MET 48 3HB MET 48 -3.747 0.690 9.610 359 1HG MET 48 2HG MET 48 -3.400 -1.361 11.759 360 2HG MET 48 3HG MET 48 -2.578 0.186 11.955 361 1HE MET 48 1HE MET 48 -5.751 0.136 14.372 362 2HE MET 48 2HE MET 48 -4.921 -1.322 13.780 363 3HE MET 48 3HE MET 48 -3.971 0.087 14.318 364 H ASP 49 H ASP 49 -3.906 -3.309 10.962 365 HA ASP 49 HA ASP 49 -1.335 -4.422 10.785 366 1HB ASP 49 2HB ASP 49 -3.788 -5.998 11.658 367 2HB ASP 49 3HB ASP 49 -2.155 -6.015 12.322 368 H THR 50 H THR 50 -4.469 -5.613 9.537 369 HA THR 50 HA THR 50 -3.600 -7.928 8.220 370 HB THR 50 HB THR 50 -5.935 -6.135 7.405 371 HG1 THR 50 1HG THR 50 -5.726 -7.848 9.653 372 1HG2 THR 50 1HG2 THR 50 -5.649 -9.173 7.584 373 2HG2 THR 50 2HG2 THR 50 -7.089 -8.277 7.058 374 3HG2 THR 50 3HG2 THR 50 -5.606 -8.219 6.086 375 H LEU 51 H LEU 51 -4.080 -4.571 7.071 376 HA LEU 51 HA LEU 51 -3.193 -5.043 4.367 377 1HB LEU 51 2HB LEU 51 -3.079 -2.523 6.070 378 2HB LEU 51 3HB LEU 51 -2.638 -2.637 4.363 379 HG LEU 51 HG LEU 51 -5.384 -2.979 5.610 380 1HD1 LEU 51 1HD1 LEU 51 -4.194 -1.332 3.359 381 2HD1 LEU 51 2HD1 LEU 51 -5.846 -1.133 4.017 382 3HD1 LEU 51 3HD1 LEU 51 -4.420 -0.744 5.014 383 1HD2 LEU 51 1HD2 LEU 51 -4.500 -3.734 2.781 384 2HD2 LEU 51 2HD2 LEU 51 -5.346 -4.777 3.948 385 3HD2 LEU 51 3HD2 LEU 51 -6.172 -3.389 3.238 386 H LEU 52 H LEU 52 -1.392 -3.810 7.239 387 HA LEU 52 HA LEU 52 1.049 -3.448 6.075 388 1HB LEU 52 2HB LEU 52 0.183 -4.133 8.822 389 2HB LEU 52 3HB LEU 52 1.886 -4.322 8.408 390 HG LEU 52 HG LEU 52 0.369 -1.828 7.621 391 1HD1 LEU 52 1HD1 LEU 52 1.041 -0.740 9.684 392 2HD1 LEU 52 2HD1 LEU 52 -0.034 -2.114 9.986 393 3HD1 LEU 52 3HD1 LEU 52 1.713 -2.287 10.286 394 1HD2 LEU 52 1HD2 LEU 52 2.711 -0.824 7.930 395 2HD2 LEU 52 2HD2 LEU 52 3.299 -2.456 8.259 396 3HD2 LEU 52 3HD2 LEU 52 2.630 -2.048 6.657 397 H ALA 53 H ALA 53 -0.077 -6.498 7.638 398 HA ALA 53 HA ALA 53 2.195 -8.061 7.059 399 1HB ALA 53 1HB ALA 53 -0.738 -8.922 7.159 400 2HB ALA 53 2HB ALA 53 0.666 -9.998 7.327 401 3HB ALA 53 3HB ALA 53 0.346 -8.760 8.558 402 H THR 54 H THR 54 -0.501 -7.159 4.886 403 HA THR 54 HA THR 54 0.316 -8.958 2.761 404 HB THR 54 HB THR 54 -1.464 -6.474 2.637 405 HG1 THR 54 1HG THR 54 -2.317 -7.838 4.215 406 1HG2 THR 54 1HG2 THR 54 -2.407 -7.513 0.748 407 2HG2 THR 54 2HG2 THR 54 -0.665 -7.468 0.502 408 3HG2 THR 54 3HG2 THR 54 -1.444 -8.997 0.982 409 H LEU 55 H LEU 55 0.574 -5.449 3.455 410 HA LEU 55 HA LEU 55 1.652 -4.777 0.919 411 1HB LEU 55 2HB LEU 55 0.756 -3.465 3.345 412 2HB LEU 55 3HB LEU 55 2.291 -2.753 2.836 413 HG LEU 55 HG LEU 55 -0.379 -2.710 1.479 414 1HD1 LEU 55 1HD1 LEU 55 0.270 -0.225 1.583 415 2HD1 LEU 55 2HD1 LEU 55 0.107 -1.025 3.162 416 3HD1 LEU 55 3HD1 LEU 55 1.703 -0.684 2.465 417 1HD2 LEU 55 1HD2 LEU 55 0.729 -1.424 -0.342 418 2HD2 LEU 55 2HD2 LEU 55 2.310 -2.024 0.221 419 3HD2 LEU 55 3HD2 LEU 55 1.070 -3.151 -0.402 420 H LYS 56 H LYS 56 3.124 -5.417 4.097 421 HA LYS 56 HA LYS 56 5.824 -4.957 3.728 422 1HB LYS 56 2HB LYS 56 4.129 -6.841 5.294 423 2HB LYS 56 3HB LYS 56 5.686 -7.483 4.930 424 1HG LYS 56 2HG LYS 56 5.665 -6.455 7.048 425 2HG LYS 56 3HG LYS 56 6.860 -5.690 6.009 426 1HD LYS 56 2HD LYS 56 4.100 -4.482 6.569 427 2HD LYS 56 3HD LYS 56 5.479 -4.285 7.651 428 1HE LYS 56 2HE LYS 56 6.758 -3.433 5.515 429 2HE LYS 56 3HE LYS 56 5.125 -3.161 4.864 430 1HZ LYS 56 1HZ LYS 56 4.703 -1.721 6.732 431 2HZ LYS 56 2HZ LYS 56 6.200 -2.009 7.357 432 3HZ LYS 56 3HZ LYS 56 6.040 -1.220 5.937 433 H LYS 57 H LYS 57 3.923 -7.406 1.964 434 HA LYS 57 HA LYS 57 6.199 -9.021 1.285 435 1HB LYS 57 2HB LYS 57 3.545 -8.708 -0.142 436 2HB LYS 57 3HB LYS 57 4.700 -10.017 -0.392 437 1HG LYS 57 2HG LYS 57 3.298 -9.446 2.265 438 2HG LYS 57 3HG LYS 57 2.740 -10.598 1.057 439 1HD LYS 57 2HD LYS 57 4.802 -11.907 1.287 440 2HD LYS 57 3HD LYS 57 5.458 -10.764 2.462 441 1HE LYS 57 2HE LYS 57 2.873 -12.358 2.844 442 2HE LYS 57 3HE LYS 57 4.454 -12.827 3.482 443 1HZ LYS 57 1HZ LYS 57 4.478 -10.785 4.764 444 2HZ LYS 57 2HZ LYS 57 2.983 -10.363 4.235 445 3HZ LYS 57 3HZ LYS 57 3.176 -11.709 5.139 446 H THR 58 H THR 58 5.325 -5.831 0.135 447 HA THR 58 HA THR 58 6.771 -5.922 -2.393 448 HB THR 58 HB THR 58 7.027 -3.503 -1.991 449 HG1 THR 58 1HG THR 58 7.214 -3.553 0.300 450 1HG2 THR 58 1HG2 THR 58 4.636 -2.950 -1.887 451 2HG2 THR 58 2HG2 THR 58 4.938 -4.329 -2.976 452 3HG2 THR 58 3HG2 THR 58 4.257 -4.590 -1.353 453 H GLY 59 H GLY 59 7.633 -5.634 1.020 454 1HA GLY 59 2HA GLY 59 9.521 -5.402 2.123 455 2HA GLY 59 3HA GLY 59 10.222 -6.550 0.955 456 H LYS 60 H LYS 60 9.163 -3.104 0.768 457 HA LYS 60 HA LYS 60 11.912 -2.216 0.106 458 1HB LYS 60 2HB LYS 60 9.363 -0.997 -0.999 459 2HB LYS 60 3HB LYS 60 11.039 -0.743 -1.488 460 1HG LYS 60 2HG LYS 60 11.105 -3.227 -2.177 461 2HG LYS 60 3HG LYS 60 9.360 -3.227 -1.951 462 1HD LYS 60 2HD LYS 60 9.819 -3.016 -4.250 463 2HD LYS 60 3HD LYS 60 9.075 -1.510 -3.693 464 1HE LYS 60 2HE LYS 60 11.153 -0.301 -3.763 465 2HE LYS 60 3HE LYS 60 12.114 -1.794 -3.803 466 1HZ LYS 60 1HZ LYS 60 11.297 -2.166 -6.041 467 2HZ LYS 60 2HZ LYS 60 10.463 -0.746 -6.018 468 3HZ LYS 60 3HZ LYS 60 12.090 -0.732 -5.907 469 H THR 61 H THR 61 11.187 0.541 0.168 470 HA THR 61 HA THR 61 11.224 1.031 2.872 471 HB THR 61 HB THR 61 10.630 3.130 0.861 472 HG1 THR 61 1HG THR 61 12.685 2.875 -0.021 473 1HG2 THR 61 1HG2 THR 61 11.292 3.771 3.179 474 2HG2 THR 61 2HG2 THR 61 12.814 2.873 2.975 475 3HG2 THR 61 3HG2 THR 61 12.485 4.306 1.980 476 H VAL 62 H VAL 62 8.802 -0.295 2.728 477 HA VAL 62 HA VAL 62 6.598 1.618 2.413 478 HB VAL 62 HB VAL 62 6.199 -0.304 1.382 479 1HG1 VAL 62 1HG1 VAL 62 7.682 -1.951 2.165 480 2HG1 VAL 62 2HG1 VAL 62 7.097 -1.828 3.833 481 3HG1 VAL 62 3HG1 VAL 62 6.087 -2.579 2.574 482 1HG2 VAL 62 1HG2 VAL 62 4.583 -0.619 3.933 483 2HG2 VAL 62 2HG2 VAL 62 4.285 0.589 2.667 484 3HG2 VAL 62 3HG2 VAL 62 4.157 -1.135 2.294 485 H SER 63 H SER 63 6.872 3.033 3.937 486 HA SER 63 HA SER 63 6.816 2.379 6.832 487 1HB SER 63 2HB SER 63 6.835 5.042 5.342 488 2HB SER 63 3HB SER 63 7.001 4.835 7.095 489 HG SER 63 HG SER 63 9.041 5.000 5.934 490 H TYR 64 H TYR 64 5.015 2.836 8.157 491 HA TYR 64 HA TYR 64 2.412 3.212 6.837 492 1HB TYR 64 2HB TYR 64 2.643 1.502 8.600 493 2HB TYR 64 3HB TYR 64 3.207 2.731 9.728 494 HD1 TYR 64 HD1 TYR 64 0.262 2.910 7.348 495 HD2 TYR 64 HD2 TYR 64 1.579 2.620 11.447 496 HE1 TYR 64 HE1 TYR 64 -2.059 3.140 8.107 497 HE2 TYR 64 HE2 TYR 64 -0.765 2.822 12.199 498 HH TYR 64 HH TYR 64 -3.002 2.928 11.544 499 H LEU 65 H LEU 65 1.244 5.063 6.955 500 HA LEU 65 HA LEU 65 2.413 7.494 8.241 501 1HB LEU 65 2HB LEU 65 0.732 7.089 5.749 502 2HB LEU 65 3HB LEU 65 0.903 8.644 6.513 503 HG LEU 65 HG LEU 65 2.444 7.731 4.474 504 1HD1 LEU 65 1HD1 LEU 65 2.215 10.055 5.177 505 2HD1 LEU 65 2HD1 LEU 65 3.286 9.754 6.572 506 3HD1 LEU 65 3HD1 LEU 65 3.913 9.634 4.912 507 1HD2 LEU 65 1HD2 LEU 65 3.764 6.110 5.714 508 2HD2 LEU 65 2HD2 LEU 65 4.781 7.487 5.306 509 3HD2 LEU 65 3HD2 LEU 65 4.196 7.331 6.944 510 H GLY 66 H GLY 66 0.349 9.076 8.504 511 1HA GLY 66 2HA GLY 66 -0.947 8.092 10.813 512 2HA GLY 66 3HA GLY 66 -1.374 9.561 9.918 513 H LEU 67 H LEU 67 -3.374 8.260 11.119 514 HA LEU 67 HA LEU 67 -4.904 6.770 9.068 515 1HB LEU 67 2HB LEU 67 -4.305 5.438 11.004 516 2HB LEU 67 3HB LEU 67 -4.831 6.683 12.137 517 HG LEU 67 HG LEU 67 -6.803 5.587 10.171 518 1HD1 LEU 67 1HD1 LEU 67 -6.048 4.182 12.781 519 2HD1 LEU 67 2HD1 LEU 67 -7.349 3.702 11.669 520 3HD1 LEU 67 3HD1 LEU 67 -5.658 3.579 11.166 521 1HD2 LEU 67 1HD2 LEU 67 -7.509 7.415 11.777 522 2HD2 LEU 67 2HD2 LEU 67 -8.400 5.916 12.038 523 3HD2 LEU 67 3HD2 LEU 67 -7.070 6.362 13.123 524 H GLU 68 H GLU 68 -6.907 7.720 8.598 525 HA GLU 68 HA GLU 68 -7.786 10.128 10.161 526 1HB GLU 68 2HB GLU 68 -8.008 9.495 7.221 527 2HB GLU 68 3HB GLU 68 -8.969 10.746 8.020 528 1HG GLU 68 2HG GLU 68 -6.812 11.888 8.643 529 2HG GLU 68 3HG GLU 68 -5.946 10.691 7.662 Start of MODEL 5 1 1H MET 1 H1 MET 1 -14.580 3.110 5.435 2 2H MET 1 H2 MET 1 -15.701 4.254 5.006 3 3H MET 1 H3 MET 1 -14.205 4.282 4.352 4 HA MET 1 HA MET 1 -14.276 5.986 5.838 5 1HB MET 1 2HB MET 1 -15.502 3.984 7.718 6 2HB MET 1 3HB MET 1 -14.512 5.306 8.369 7 1HG MET 1 2HG MET 1 -15.905 6.959 7.233 8 2HG MET 1 3HG MET 1 -16.921 5.671 6.557 9 1HE MET 1 1HE MET 1 -17.955 8.231 8.211 10 2HE MET 1 2HE MET 1 -19.031 6.997 7.501 11 3HE MET 1 3HE MET 1 -19.206 7.457 9.212 12 HA PRO 2 HA PRO 2 -10.682 4.289 8.348 13 1HB PRO 2 2HB PRO 2 -10.077 1.559 8.305 14 2HB PRO 2 3HB PRO 2 -10.948 2.447 9.584 15 1HG PRO 2 2HG PRO 2 -12.114 0.889 7.275 16 2HG PRO 2 3HG PRO 2 -12.618 0.853 8.987 17 1HD PRO 2 2HD PRO 2 -13.976 2.286 7.192 18 2HD PRO 2 3HD PRO 2 -13.624 3.004 8.795 19 H LYS 3 H LYS 3 -9.012 5.046 7.166 20 HA LYS 3 HA LYS 3 -8.004 3.353 4.992 21 1HB LYS 3 2HB LYS 3 -7.784 5.041 3.390 22 2HB LYS 3 3HB LYS 3 -9.385 5.309 4.077 23 1HG LYS 3 2HG LYS 3 -8.138 7.050 5.628 24 2HG LYS 3 3HG LYS 3 -6.787 6.840 4.529 25 1HD LYS 3 2HD LYS 3 -7.736 8.561 3.402 26 2HD LYS 3 3HD LYS 3 -8.699 7.274 2.667 27 1HE LYS 3 2HE LYS 3 -9.463 9.222 4.883 28 2HE LYS 3 3HE LYS 3 -10.228 8.993 3.298 29 1HZ LYS 3 1HZ LYS 3 -10.890 6.738 4.155 30 2HZ LYS 3 2HZ LYS 3 -10.361 7.253 5.669 31 3HZ LYS 3 3HZ LYS 3 -11.578 8.000 4.933 32 H HIS 4 H HIS 4 -5.893 3.515 4.452 33 HA HIS 4 HA HIS 4 -4.190 4.214 6.807 34 1HB HIS 4 2HB HIS 4 -3.976 1.732 5.061 35 2HB HIS 4 3HB HIS 4 -3.361 1.990 6.681 36 HD1 HIS 4 1HD HIS 4 -6.572 1.111 4.810 37 HD2 HIS 4 2HD HIS 4 -5.225 1.939 8.685 38 HE1 HIS 4 1HE HIS 4 -8.421 0.320 6.400 39 H GLU 5 H GLU 5 -2.774 5.805 6.064 40 HA GLU 5 HA GLU 5 -1.937 5.735 3.223 41 1HB GLU 5 2HB GLU 5 -2.408 7.934 4.216 42 2HB GLU 5 3HB GLU 5 -1.110 7.689 5.385 43 1HG GLU 5 2HG GLU 5 0.535 7.532 3.534 44 2HG GLU 5 3HG GLU 5 -0.770 7.569 2.345 45 H PHE 6 H PHE 6 -0.054 4.920 2.541 46 HA PHE 6 HA PHE 6 2.112 4.365 4.503 47 1HB PHE 6 2HB PHE 6 1.254 2.616 2.168 48 2HB PHE 6 3HB PHE 6 2.763 2.437 3.058 49 HD1 PHE 6 1HD PHE 6 -0.982 2.328 3.497 50 HD2 PHE 6 2HD PHE 6 2.855 1.121 5.091 51 HE1 PHE 6 1HE PHE 6 -2.078 0.681 4.977 52 HE2 PHE 6 2HE PHE 6 1.763 -0.514 6.481 53 HZ PHE 6 HZ PHE 6 -0.743 -0.745 6.471 54 H SER 7 H SER 7 4.064 5.073 3.851 55 HA SER 7 HA SER 7 4.245 6.359 1.174 56 1HB SER 7 2HB SER 7 5.068 7.729 3.006 57 2HB SER 7 3HB SER 7 6.246 6.470 3.434 58 HG SER 7 HG SER 7 6.099 7.470 0.770 59 H VAL 8 H VAL 8 5.354 5.254 -0.373 60 HA VAL 8 HA VAL 8 6.660 2.674 0.305 61 HB VAL 8 HB VAL 8 4.510 3.020 -1.819 62 1HG1 VAL 8 1HG1 VAL 8 5.975 0.541 -0.802 63 2HG1 VAL 8 2HG1 VAL 8 4.730 0.591 -2.070 64 3HG1 VAL 8 3HG1 VAL 8 6.308 1.351 -2.342 65 1HG2 VAL 8 1HG2 VAL 8 3.224 1.362 -0.356 66 2HG2 VAL 8 2HG2 VAL 8 4.442 1.622 0.894 67 3HG2 VAL 8 3HG2 VAL 8 3.400 2.963 0.380 68 H ASP 9 H ASP 9 8.600 2.827 -0.578 69 HA ASP 9 HA ASP 9 9.353 4.986 -2.232 70 1HB ASP 9 2HB ASP 9 10.668 3.936 -0.484 71 2HB ASP 9 3HB ASP 9 10.777 2.440 -1.442 72 H MET 10 H MET 10 7.620 4.348 -3.907 73 HA MET 10 HA MET 10 8.334 2.255 -5.817 74 1HB MET 10 2HB MET 10 6.185 4.403 -5.896 75 2HB MET 10 3HB MET 10 6.325 3.024 -7.006 76 1HG MET 10 2HG MET 10 6.039 1.456 -5.125 77 2HG MET 10 3HG MET 10 5.847 2.815 -4.018 78 1HE MET 10 1HE MET 10 2.420 4.280 -4.939 79 2HE MET 10 2HE MET 10 3.840 4.382 -3.878 80 3HE MET 10 3HE MET 10 3.969 4.829 -5.596 81 H THR 11 H THR 11 10.067 2.609 -7.157 82 HA THR 11 HA THR 11 10.885 5.317 -7.906 83 HB THR 11 HB THR 11 12.639 3.879 -9.128 84 HG1 THR 11 1HG THR 11 12.630 1.684 -8.471 85 1HG2 THR 11 1HG2 THR 11 13.806 3.261 -7.023 86 2HG2 THR 11 2HG2 THR 11 13.080 4.873 -6.900 87 3HG2 THR 11 3HG2 THR 11 12.302 3.487 -6.107 88 H CYS 12 HN CYS 12 10.253 2.303 -9.687 89 HA CYS 12 HA CYS 12 9.357 3.860 -12.062 90 1HB CYS 12 2HB CYS 12 9.897 1.876 -13.316 91 2HB CYS 12 3HB CYS 12 11.249 2.276 -12.261 92 H GLY 13 H GLY 13 7.567 2.970 -13.321 93 1HA GLY 13 2HA GLY 13 5.113 2.560 -12.082 94 2HA GLY 13 3HA GLY 13 5.537 1.963 -13.695 95 H GLY 14 H GLY 14 7.591 0.180 -12.987 96 1HA GLY 14 2HA GLY 14 6.334 -2.214 -12.524 97 2HA GLY 14 3HA GLY 14 8.056 -1.884 -12.217 98 H CYS 15 HN CYS 15 7.659 0.045 -10.041 99 HA CYS 15 HA CYS 15 7.332 -1.842 -7.859 100 1HB CYS 15 2HB CYS 15 7.563 1.176 -7.939 101 2HB CYS 15 3HB CYS 15 7.379 0.209 -6.472 102 H ALA 16 H ALA 16 5.261 0.707 -9.333 103 HA ALA 16 HA ALA 16 3.144 0.493 -7.384 104 1HB ALA 16 1HB ALA 16 3.070 1.409 -10.291 105 2HB ALA 16 2HB ALA 16 1.746 1.541 -9.133 106 3HB ALA 16 3HB ALA 16 3.260 2.423 -8.841 107 H GLU 17 H GLU 17 3.705 -1.042 -10.578 108 HA GLU 17 HA GLU 17 1.445 -2.726 -10.664 109 1HB GLU 17 2HB GLU 17 4.293 -3.222 -11.627 110 2HB GLU 17 3HB GLU 17 2.895 -4.180 -12.108 111 1HG GLU 17 2HG GLU 17 1.910 -2.368 -13.301 112 2HG GLU 17 3HG GLU 17 2.985 -1.168 -12.574 113 H ALA 18 H ALA 18 4.695 -3.359 -9.243 114 HA ALA 18 HA ALA 18 4.141 -5.946 -8.319 115 1HB ALA 18 1HB ALA 18 6.019 -3.887 -7.089 116 2HB ALA 18 2HB ALA 18 6.079 -5.637 -6.821 117 3HB ALA 18 3HB ALA 18 6.427 -4.973 -8.434 118 H VAL 19 H VAL 19 3.872 -2.829 -6.526 119 HA VAL 19 HA VAL 19 2.962 -3.891 -4.102 120 HB VAL 19 HB VAL 19 2.504 -1.223 -5.514 121 1HG1 VAL 19 1HG1 VAL 19 2.038 -0.483 -3.109 122 2HG1 VAL 19 2HG1 VAL 19 0.775 -1.428 -3.913 123 3HG1 VAL 19 3HG1 VAL 19 1.869 -2.236 -2.745 124 1HG2 VAL 19 1HG2 VAL 19 4.329 -0.380 -4.310 125 2HG2 VAL 19 2HG2 VAL 19 4.320 -1.701 -3.142 126 3HG2 VAL 19 3HG2 VAL 19 4.932 -1.982 -4.766 127 H SER 20 H SER 20 1.174 -2.748 -6.958 128 HA SER 20 HA SER 20 -1.456 -3.128 -6.036 129 1HB SER 20 2HB SER 20 -0.600 -2.088 -8.209 130 2HB SER 20 3HB SER 20 -0.429 -3.705 -8.867 131 HG SER 20 HG SER 20 -2.439 -2.796 -9.422 132 H ARG 21 H ARG 21 0.616 -5.413 -7.845 133 HA ARG 21 HA ARG 21 -1.049 -7.643 -7.799 134 1HB ARG 21 2HB ARG 21 0.691 -8.453 -8.892 135 2HB ARG 21 3HB ARG 21 1.710 -7.126 -8.379 136 1HG ARG 21 2HG ARG 21 2.481 -8.361 -6.416 137 2HG ARG 21 3HG ARG 21 1.354 -9.675 -6.745 138 1HD ARG 21 2HD ARG 21 3.509 -10.366 -7.529 139 2HD ARG 21 3HD ARG 21 2.487 -10.049 -8.951 140 HE ARG 21 HE ARG 21 4.098 -7.796 -8.003 141 1HH1 ARG 21 2HH2 ARG 21 4.250 -10.678 -10.018 142 2HH1 ARG 21 1HH2 ARG 21 5.403 -10.038 -11.147 143 1HH2 ARG 21 2HH1 ARG 21 5.605 -6.869 -9.544 144 2HH2 ARG 21 1HH1 ARG 21 6.212 -7.838 -10.837 145 H VAL 22 H VAL 22 0.990 -6.466 -5.138 146 HA VAL 22 HA VAL 22 0.582 -8.791 -3.446 147 HB VAL 22 HB VAL 22 2.153 -6.274 -3.551 148 1HG1 VAL 22 1HG1 VAL 22 1.095 -7.125 -0.847 149 2HG1 VAL 22 2HG1 VAL 22 2.550 -6.145 -1.114 150 3HG1 VAL 22 3HG1 VAL 22 0.987 -5.527 -1.658 151 1HG2 VAL 22 1HG2 VAL 22 3.033 -8.506 -3.839 152 2HG2 VAL 22 2HG2 VAL 22 3.805 -7.578 -2.528 153 3HG2 VAL 22 3HG2 VAL 22 2.625 -8.876 -2.140 154 H LEU 23 H LEU 23 -0.651 -5.434 -3.516 155 HA LEU 23 HA LEU 23 -2.182 -5.812 -1.142 156 1HB LEU 23 2HB LEU 23 -1.728 -3.675 -3.097 157 2HB LEU 23 3HB LEU 23 -3.361 -3.661 -2.518 158 HG LEU 23 HG LEU 23 -0.915 -3.865 -0.692 159 1HD1 LEU 23 1HD1 LEU 23 -1.182 -1.426 -0.419 160 2HD1 LEU 23 2HD1 LEU 23 -0.875 -1.807 -2.115 161 3HD1 LEU 23 3HD1 LEU 23 -2.533 -1.461 -1.580 162 1HD2 LEU 23 1HD2 LEU 23 -3.257 -4.549 0.202 163 2HD2 LEU 23 2HD2 LEU 23 -2.521 -3.174 1.034 164 3HD2 LEU 23 3HD2 LEU 23 -3.765 -2.912 -0.218 165 H ASN 24 H ASN 24 -2.953 -6.001 -4.636 166 HA ASN 24 HA ASN 24 -5.705 -6.405 -4.516 167 1HB ASN 24 2HB ASN 24 -4.416 -6.279 -6.633 168 2HB ASN 24 3HB ASN 24 -3.668 -7.836 -6.282 169 1HD2 ASN 24 1HD2 ASN 24 -6.996 -7.876 -5.228 170 2HD2 ASN 24 2HD2 ASN 24 -7.614 -8.617 -6.689 171 H LYS 25 H LYS 25 -3.033 -8.775 -3.984 172 HA LYS 25 HA LYS 25 -4.631 -11.073 -3.800 173 1HB LYS 25 2HB LYS 25 -1.849 -10.219 -3.221 174 2HB LYS 25 3HB LYS 25 -2.395 -11.521 -2.202 175 1HG LYS 25 2HG LYS 25 -3.000 -12.841 -4.207 176 2HG LYS 25 3HG LYS 25 -2.766 -11.395 -5.223 177 1HD LYS 25 2HD LYS 25 -0.344 -11.391 -4.706 178 2HD LYS 25 3HD LYS 25 -0.555 -12.794 -3.650 179 1HE LYS 25 2HE LYS 25 0.343 -13.456 -5.855 180 2HE LYS 25 3HE LYS 25 -1.228 -14.205 -5.537 181 1HZ LYS 25 1HZ LYS 25 -0.840 -11.787 -7.183 182 2HZ LYS 25 2HZ LYS 25 -1.024 -13.313 -7.779 183 3HZ LYS 25 3HZ LYS 25 -2.251 -12.599 -6.959 184 H LEU 26 H LEU 26 -3.924 -8.692 -1.286 185 HA LEU 26 HA LEU 26 -5.069 -10.079 0.943 186 1HB LEU 26 2HB LEU 26 -3.829 -8.183 1.338 187 2HB LEU 26 3HB LEU 26 -4.689 -7.186 0.189 188 HG LEU 26 HG LEU 26 -5.068 -6.353 2.271 189 1HD1 LEU 26 1HD1 LEU 26 -7.005 -6.343 0.671 190 2HD1 LEU 26 2HD1 LEU 26 -7.717 -7.647 1.622 191 3HD1 LEU 26 3HD1 LEU 26 -7.387 -6.122 2.403 192 1HD2 LEU 26 1HD2 LEU 26 -6.137 -7.448 4.086 193 2HD2 LEU 26 2HD2 LEU 26 -6.317 -8.969 3.155 194 3HD2 LEU 26 3HD2 LEU 26 -4.699 -8.389 3.622 195 H GLY 27 H GLY 27 -6.582 -8.069 -1.627 196 1HA GLY 27 2HA GLY 27 -8.670 -8.832 -2.524 197 2HA GLY 27 3HA GLY 27 -9.247 -9.238 -0.910 198 H GLY 28 H GLY 28 -9.915 -7.580 0.594 199 1HA GLY 28 2HA GLY 28 -11.534 -5.765 -0.964 200 2HA GLY 28 3HA GLY 28 -11.620 -6.088 0.770 201 H VAL 29 H VAL 29 -9.049 -4.798 -1.333 202 HA VAL 29 HA VAL 29 -8.848 -2.354 0.420 203 HB VAL 29 HB VAL 29 -6.538 -2.178 -0.562 204 1HG1 VAL 29 1HG1 VAL 29 -7.490 -4.267 1.344 205 2HG1 VAL 29 2HG1 VAL 29 -5.766 -4.248 0.929 206 3HG1 VAL 29 3HG1 VAL 29 -6.543 -2.813 1.646 207 1HG2 VAL 29 1HG2 VAL 29 -6.883 -3.843 -2.467 208 2HG2 VAL 29 2HG2 VAL 29 -5.426 -4.047 -1.485 209 3HG2 VAL 29 3HG2 VAL 29 -6.819 -5.128 -1.259 210 H LYS 30 H LYS 30 -9.198 -0.380 -0.433 211 HA LYS 30 HA LYS 30 -8.760 -0.125 -3.351 212 1HB LYS 30 2HB LYS 30 -11.040 0.525 -2.973 213 2HB LYS 30 3HB LYS 30 -10.577 1.573 -1.627 214 1HG LYS 30 2HG LYS 30 -11.043 2.777 -3.803 215 2HG LYS 30 3HG LYS 30 -9.519 3.148 -3.031 216 1HD LYS 30 2HD LYS 30 -9.252 2.969 -5.463 217 2HD LYS 30 3HD LYS 30 -8.231 1.851 -4.613 218 1HE LYS 30 2HE LYS 30 -9.114 0.750 -6.539 219 2HE LYS 30 3HE LYS 30 -9.817 -0.038 -5.133 220 1HZ LYS 30 1HZ LYS 30 -11.807 1.253 -5.439 221 2HZ LYS 30 2HZ LYS 30 -11.176 1.994 -6.771 222 3HZ LYS 30 3HZ LYS 30 -11.468 0.375 -6.787 223 H TYR 31 H TYR 31 -6.701 -0.079 -3.214 224 HA TYR 31 HA TYR 31 -5.224 2.026 -1.770 225 1HB TYR 31 2HB TYR 31 -3.302 1.030 -2.933 226 2HB TYR 31 3HB TYR 31 -4.146 -0.042 -1.828 227 HD1 TYR 31 HD1 TYR 31 -5.494 -1.946 -2.663 228 HD2 TYR 31 HD2 TYR 31 -3.254 0.554 -5.317 229 HE1 TYR 31 HE1 TYR 31 -5.566 -3.737 -4.402 230 HE2 TYR 31 HE2 TYR 31 -3.293 -1.223 -7.049 231 HH TYR 31 HH TYR 31 -3.736 -3.476 -7.433 232 H ASP 32 H ASP 32 -5.273 4.008 -2.601 233 HA ASP 32 HA ASP 32 -5.154 4.333 -5.560 234 1HB ASP 32 2HB ASP 32 -6.630 5.922 -4.318 235 2HB ASP 32 3HB ASP 32 -5.220 6.470 -3.392 236 H ILE 33 H ILE 33 -3.232 5.556 -6.286 237 HA ILE 33 HA ILE 33 -0.734 4.729 -4.834 238 HB ILE 33 HB ILE 33 -1.798 3.929 -7.553 239 1HG1 ILE 33 2HG1 ILE 33 -0.187 2.164 -5.668 240 2HG1 ILE 33 3HG1 ILE 33 -1.896 2.480 -5.352 241 1HG2 ILE 33 1HG2 ILE 33 0.484 3.125 -8.160 242 2HG2 ILE 33 2HG2 ILE 33 0.342 4.870 -8.124 243 3HG2 ILE 33 3HG2 ILE 33 1.135 4.020 -6.778 244 1HD1 ILE 33 1HD1 ILE 33 -2.598 1.548 -7.439 245 2HD1 ILE 33 2HD1 ILE 33 -0.931 1.430 -8.047 246 3HD1 ILE 33 3HD1 ILE 33 -1.446 0.404 -6.710 247 H ASP 34 H ASP 34 0.649 6.431 -4.794 248 HA ASP 34 HA ASP 34 0.685 8.297 -7.124 249 1HB ASP 34 2HB ASP 34 -0.168 9.414 -5.079 250 2HB ASP 34 3HB ASP 34 1.373 9.048 -4.281 251 H LEU 35 H LEU 35 2.401 7.800 -8.267 252 HA LEU 35 HA LEU 35 4.694 6.342 -7.222 253 1HB LEU 35 2HB LEU 35 3.655 7.219 -9.876 254 2HB LEU 35 3HB LEU 35 5.411 7.104 -9.704 255 HG LEU 35 HG LEU 35 3.631 4.841 -8.740 256 1HD1 LEU 35 1HD1 LEU 35 4.438 5.206 -11.657 257 2HD1 LEU 35 2HD1 LEU 35 3.625 3.794 -10.949 258 3HD1 LEU 35 3HD1 LEU 35 2.785 5.350 -11.010 259 1HD2 LEU 35 1HD2 LEU 35 6.345 4.812 -10.153 260 2HD2 LEU 35 2HD2 LEU 35 6.137 4.828 -8.397 261 3HD2 LEU 35 3HD2 LEU 35 5.552 3.444 -9.358 262 HA PRO 36 HA PRO 36 6.949 10.669 -8.285 263 1HB PRO 36 2HB PRO 36 4.335 12.140 -7.729 264 2HB PRO 36 3HB PRO 36 5.796 12.783 -8.527 265 1HG PRO 36 2HG PRO 36 3.752 11.837 -10.031 266 2HG PRO 36 3HG PRO 36 5.414 11.298 -10.428 267 1HD PRO 36 2HD PRO 36 3.268 9.814 -8.917 268 2HD PRO 36 3HD PRO 36 4.447 9.231 -10.131 269 H ASN 37 H ASN 37 4.183 10.534 -6.024 270 HA ASN 37 HA ASN 37 5.798 11.804 -3.918 271 1HB ASN 37 2HB ASN 37 3.156 12.024 -4.573 272 2HB ASN 37 3HB ASN 37 3.043 10.842 -3.266 273 1HD2 ASN 37 1HD2 ASN 37 4.526 13.922 -4.269 274 2HD2 ASN 37 2HD2 ASN 37 4.473 14.700 -2.704 275 H LYS 38 H LYS 38 5.545 8.639 -4.928 276 HA LYS 38 HA LYS 38 5.951 6.618 -3.950 277 1HB LYS 38 2HB LYS 38 7.622 8.480 -2.186 278 2HB LYS 38 3HB LYS 38 7.774 6.725 -2.206 279 1HG LYS 38 2HG LYS 38 8.201 6.793 -4.659 280 2HG LYS 38 3HG LYS 38 8.147 8.561 -4.629 281 1HD LYS 38 2HD LYS 38 10.087 8.687 -3.183 282 2HD LYS 38 3HD LYS 38 10.053 6.942 -2.891 283 1HE LYS 38 2HE LYS 38 10.385 6.620 -5.419 284 2HE LYS 38 3HE LYS 38 10.764 8.350 -5.497 285 1HZ LYS 38 1HZ LYS 38 12.548 7.866 -3.872 286 2HZ LYS 38 2HZ LYS 38 12.125 6.281 -3.888 287 3HZ LYS 38 3HZ LYS 38 12.731 6.964 -5.246 288 H LYS 39 H LYS 39 3.529 7.059 -3.467 289 HA LYS 39 HA LYS 39 3.045 6.394 -0.624 290 1HB LYS 39 2HB LYS 39 2.146 8.853 -2.134 291 2HB LYS 39 3HB LYS 39 1.003 8.089 -1.032 292 1HG LYS 39 2HG LYS 39 2.703 8.180 0.777 293 2HG LYS 39 3HG LYS 39 3.778 9.110 -0.290 294 1HD LYS 39 2HD LYS 39 2.084 10.892 -0.503 295 2HD LYS 39 3HD LYS 39 0.889 9.877 0.317 296 1HE LYS 39 2HE LYS 39 2.505 9.872 2.337 297 2HE LYS 39 3HE LYS 39 3.301 11.261 1.574 298 1HZ LYS 39 1HZ LYS 39 1.388 12.534 2.051 299 2HZ LYS 39 2HZ LYS 39 0.390 11.200 1.923 300 3HZ LYS 39 3HZ LYS 39 1.222 11.333 3.235 301 H VAL 40 H VAL 40 1.168 5.319 -0.146 302 HA VAL 40 HA VAL 40 -0.652 4.639 -2.341 303 HB VAL 40 HB VAL 40 0.349 2.657 -0.246 304 1HG1 VAL 40 1HG1 VAL 40 -1.921 2.382 -1.292 305 2HG1 VAL 40 2HG1 VAL 40 -1.133 2.260 -2.873 306 3HG1 VAL 40 3HG1 VAL 40 -0.810 1.030 -1.625 307 1HG2 VAL 40 1HG2 VAL 40 1.222 2.910 -3.159 308 2HG2 VAL 40 2HG2 VAL 40 2.239 3.159 -1.722 309 3HG2 VAL 40 3HG2 VAL 40 1.594 1.553 -2.073 310 H CYS 41 H CYS 41 -2.724 5.066 -1.626 311 HA CYS 41 HA CYS 41 -3.200 5.541 1.328 312 1HB CYS 41 2HB CYS 41 -4.329 6.902 -1.145 313 2HB CYS 41 3HB CYS 41 -5.127 6.964 0.437 314 HG CYS 41 HG CYS 41 -2.013 7.823 -0.174 315 H ILE 42 H ILE 42 -4.138 3.740 2.097 316 HA ILE 42 HA ILE 42 -5.865 2.305 0.195 317 HB ILE 42 HB ILE 42 -4.668 1.058 2.637 318 1HG1 ILE 42 2HG1 ILE 42 -3.264 1.208 -0.029 319 2HG1 ILE 42 3HG1 ILE 42 -2.774 2.079 1.443 320 1HG2 ILE 42 1HG2 ILE 42 -5.600 0.081 -0.115 321 2HG2 ILE 42 2HG2 ILE 42 -4.943 -0.988 1.112 322 3HG2 ILE 42 3HG2 ILE 42 -6.463 -0.133 1.406 323 1HD1 ILE 42 1HD1 ILE 42 -2.286 0.023 2.626 324 2HD1 ILE 42 2HD1 ILE 42 -2.757 -0.930 1.209 325 3HD1 ILE 42 3HD1 ILE 42 -1.383 0.165 1.136 326 H GLU 43 H GLU 43 -7.946 2.845 0.483 327 HA GLU 43 HA GLU 43 -9.068 2.938 3.233 328 1HB GLU 43 2HB GLU 43 -9.869 4.588 1.622 329 2HB GLU 43 3HB GLU 43 -10.515 3.297 0.598 330 1HG GLU 43 2HG GLU 43 -12.278 2.871 2.011 331 2HG GLU 43 3HG GLU 43 -11.320 3.100 3.470 332 H SER 44 H SER 44 -9.969 1.133 4.187 333 HA SER 44 HA SER 44 -10.794 -1.120 2.531 334 1HB SER 44 2HB SER 44 -8.282 -1.417 2.638 335 2HB SER 44 3HB SER 44 -8.417 -1.470 4.408 336 HG SER 44 HG SER 44 -9.671 -3.243 2.554 337 H GLU 45 H GLU 45 -11.987 -2.635 3.694 338 HA GLU 45 HA GLU 45 -12.801 -1.953 6.440 339 1HB GLU 45 2HB GLU 45 -13.602 -4.265 4.621 340 2HB GLU 45 3HB GLU 45 -14.326 -3.838 6.179 341 1HG GLU 45 2HG GLU 45 -14.945 -1.592 5.249 342 2HG GLU 45 3HG GLU 45 -14.334 -2.097 3.663 343 H HIS 46 H HIS 46 -10.267 -3.764 4.880 344 HA HIS 46 HA HIS 46 -9.943 -5.715 7.054 345 1HB HIS 46 2HB HIS 46 -8.103 -4.862 4.789 346 2HB HIS 46 3HB HIS 46 -7.754 -6.116 5.969 347 HD1 HIS 46 1HD HIS 46 -8.142 -8.431 5.015 348 HD2 HIS 46 2HD HIS 46 -10.508 -5.441 3.253 349 HE1 HIS 46 1HE HIS 46 -9.221 -9.470 2.970 350 H SER 47 H SER 47 -8.247 -5.551 8.643 351 HA SER 47 HA SER 47 -8.156 -2.923 9.761 352 1HB SER 47 2HB SER 47 -8.209 -5.046 11.101 353 2HB SER 47 3HB SER 47 -6.553 -5.386 10.572 354 HG SER 47 HG SER 47 -7.503 -3.331 12.257 355 H MET 48 H MET 48 -6.256 -1.712 10.382 356 HA MET 48 HA MET 48 -4.402 -1.260 8.320 357 1HB MET 48 2HB MET 48 -3.435 0.356 9.561 358 2HB MET 48 3HB MET 48 -5.094 0.298 10.201 359 1HG MET 48 2HG MET 48 -4.175 -1.272 11.970 360 2HG MET 48 3HG MET 48 -2.555 -0.733 11.460 361 1HE MET 48 1HE MET 48 -3.389 -0.509 14.442 362 2HE MET 48 2HE MET 48 -1.853 0.126 13.799 363 3HE MET 48 3HE MET 48 -2.878 1.151 14.831 364 H ASP 49 H ASP 49 -4.344 -3.423 11.090 365 HA ASP 49 HA ASP 49 -1.692 -4.428 11.096 366 1HB ASP 49 2HB ASP 49 -2.938 -5.392 12.782 367 2HB ASP 49 3HB ASP 49 -4.444 -5.357 11.865 368 H THR 50 H THR 50 -4.526 -5.725 9.363 369 HA THR 50 HA THR 50 -3.108 -7.657 8.004 370 HB THR 50 HB THR 50 -5.691 -6.521 6.935 371 HG1 THR 50 1HG THR 50 -5.248 -7.536 9.550 372 1HG2 THR 50 1HG2 THR 50 -6.328 -8.891 6.858 373 2HG2 THR 50 2HG2 THR 50 -4.756 -8.679 6.055 374 3HG2 THR 50 3HG2 THR 50 -4.834 -9.350 7.699 375 H LEU 51 H LEU 51 -4.138 -4.413 7.017 376 HA LEU 51 HA LEU 51 -3.103 -4.262 4.364 377 1HB LEU 51 2HB LEU 51 -3.426 -2.312 6.657 378 2HB LEU 51 3HB LEU 51 -2.682 -1.810 5.164 379 HG LEU 51 HG LEU 51 -5.303 -1.567 5.736 380 1HD1 LEU 51 1HD1 LEU 51 -4.033 -0.527 3.945 381 2HD1 LEU 51 2HD1 LEU 51 -4.053 -2.031 3.003 382 3HD1 LEU 51 3HD1 LEU 51 -5.579 -1.154 3.344 383 1HD2 LEU 51 1HD2 LEU 51 -5.275 -4.070 3.979 384 2HD2 LEU 51 2HD2 LEU 51 -5.875 -3.993 5.651 385 3HD2 LEU 51 3HD2 LEU 51 -6.657 -3.058 4.384 386 H LEU 52 H LEU 52 -1.489 -3.288 7.426 387 HA LEU 52 HA LEU 52 1.047 -2.690 6.497 388 1HB LEU 52 2HB LEU 52 -0.104 -3.571 9.022 389 2HB LEU 52 3HB LEU 52 1.581 -4.003 8.817 390 HG LEU 52 HG LEU 52 0.646 -1.181 8.210 391 1HD1 LEU 52 1HD1 LEU 52 0.994 -2.290 10.970 392 2HD1 LEU 52 2HD1 LEU 52 0.954 -0.554 10.543 393 3HD1 LEU 52 3HD1 LEU 52 -0.453 -1.571 10.208 394 1HD2 LEU 52 1HD2 LEU 52 3.174 -2.331 9.506 395 2HD2 LEU 52 2HD2 LEU 52 3.032 -1.851 7.800 396 3HD2 LEU 52 3HD2 LEU 52 2.909 -0.631 9.084 397 H ALA 53 H ALA 53 -0.069 -5.849 7.708 398 HA ALA 53 HA ALA 53 2.271 -7.343 7.252 399 1HB ALA 53 1HB ALA 53 -0.636 -8.266 7.330 400 2HB ALA 53 2HB ALA 53 0.795 -9.298 7.541 401 3HB ALA 53 3HB ALA 53 0.425 -8.037 8.735 402 H THR 54 H THR 54 -0.605 -6.810 5.140 403 HA THR 54 HA THR 54 0.271 -8.463 2.998 404 HB THR 54 HB THR 54 -1.501 -5.986 3.077 405 HG1 THR 54 1HG THR 54 -2.327 -7.669 4.231 406 1HG2 THR 54 1HG2 THR 54 -1.182 -8.044 0.874 407 2HG2 THR 54 2HG2 THR 54 -2.328 -6.681 0.945 408 3HG2 THR 54 3HG2 THR 54 -0.608 -6.357 0.803 409 H LEU 55 H LEU 55 0.737 -4.961 3.703 410 HA LEU 55 HA LEU 55 1.995 -4.554 1.171 411 1HB LEU 55 2HB LEU 55 1.049 -2.978 3.424 412 2HB LEU 55 3HB LEU 55 2.629 -2.386 2.900 413 HG LEU 55 HG LEU 55 0.047 -2.504 1.351 414 1HD1 LEU 55 1HD1 LEU 55 1.925 -0.355 2.454 415 2HD1 LEU 55 2HD1 LEU 55 0.693 0.013 1.272 416 3HD1 LEU 55 3HD1 LEU 55 0.224 -0.655 2.861 417 1HD2 LEU 55 1HD2 LEU 55 1.716 -3.052 -0.305 418 2HD2 LEU 55 2HD2 LEU 55 1.347 -1.337 -0.455 419 3HD2 LEU 55 3HD2 LEU 55 2.846 -1.839 0.364 420 H LYS 56 H LYS 56 3.241 -5.486 4.383 421 HA LYS 56 HA LYS 56 5.995 -5.049 4.035 422 1HB LYS 56 2HB LYS 56 4.171 -6.841 5.552 423 2HB LYS 56 3HB LYS 56 5.673 -7.605 5.083 424 1HG LYS 56 2HG LYS 56 5.981 -6.842 7.114 425 2HG LYS 56 3HG LYS 56 6.956 -5.723 6.162 426 1HD LYS 56 2HD LYS 56 4.201 -5.172 7.438 427 2HD LYS 56 3HD LYS 56 5.738 -4.901 8.227 428 1HE LYS 56 2HE LYS 56 5.129 -2.792 7.542 429 2HE LYS 56 3HE LYS 56 6.396 -3.264 6.411 430 1HZ LYS 56 1HZ LYS 56 4.312 -2.196 5.493 431 2HZ LYS 56 2HZ LYS 56 4.819 -3.571 4.757 432 3HZ LYS 56 3HZ LYS 56 3.542 -3.643 5.779 433 H LYS 57 H LYS 57 3.838 -7.420 2.388 434 HA LYS 57 HA LYS 57 6.029 -9.008 1.422 435 1HB LYS 57 2HB LYS 57 3.156 -8.841 0.450 436 2HB LYS 57 3HB LYS 57 4.354 -10.038 -0.048 437 1HG LYS 57 2HG LYS 57 4.659 -10.780 2.274 438 2HG LYS 57 3HG LYS 57 3.439 -9.648 2.848 439 1HD LYS 57 2HD LYS 57 2.802 -11.716 0.700 440 2HD LYS 57 3HD LYS 57 2.804 -12.146 2.422 441 1HE LYS 57 2HE LYS 57 1.173 -10.437 2.951 442 2HE LYS 57 3HE LYS 57 1.156 -9.848 1.269 443 1HZ LYS 57 1HZ LYS 57 0.231 -11.971 0.627 444 2HZ LYS 57 2HZ LYS 57 0.254 -12.500 2.189 445 3HZ LYS 57 3HZ LYS 57 -0.713 -11.243 1.758 446 H THR 58 H THR 58 5.147 -5.828 0.471 447 HA THR 58 HA THR 58 6.070 -5.969 -2.278 448 HB THR 58 HB THR 58 6.640 -3.621 -1.989 449 HG1 THR 58 1HG THR 58 5.828 -3.787 0.707 450 1HG2 THR 58 1HG2 THR 58 4.413 -2.760 -1.252 451 2HG2 THR 58 2HG2 THR 58 4.331 -4.090 -2.440 452 3HG2 THR 58 3HG2 THR 58 3.976 -4.387 -0.733 453 H GLY 59 H GLY 59 7.550 -5.851 0.918 454 1HA GLY 59 2HA GLY 59 9.598 -5.979 1.700 455 2HA GLY 59 3HA GLY 59 10.066 -6.945 0.277 456 H LYS 60 H LYS 60 8.876 -3.577 0.275 457 HA LYS 60 HA LYS 60 11.558 -2.587 -0.645 458 1HB LYS 60 2HB LYS 60 8.820 -1.309 -0.889 459 2HB LYS 60 3HB LYS 60 10.347 -0.720 -1.567 460 1HG LYS 60 2HG LYS 60 10.500 -2.557 -3.129 461 2HG LYS 60 3HG LYS 60 9.119 -3.369 -2.414 462 1HD LYS 60 2HD LYS 60 8.479 -2.192 -4.511 463 2HD LYS 60 3HD LYS 60 7.572 -1.679 -3.091 464 1HE LYS 60 2HE LYS 60 8.096 0.282 -4.368 465 2HE LYS 60 3HE LYS 60 8.985 0.361 -2.873 466 1HZ LYS 60 1HZ LYS 60 10.006 -0.229 -5.574 467 2HZ LYS 60 2HZ LYS 60 10.419 0.974 -4.540 468 3HZ LYS 60 3HZ LYS 60 10.913 -0.560 -4.212 469 H THR 61 H THR 61 11.699 -0.096 -0.011 470 HA THR 61 HA THR 61 11.302 0.418 2.750 471 HB THR 61 HB THR 61 11.475 2.838 1.273 472 HG1 THR 61 1HG THR 61 12.819 2.397 -0.434 473 1HG2 THR 61 1HG2 THR 61 13.821 2.830 1.975 474 2HG2 THR 61 2HG2 THR 61 12.756 2.303 3.292 475 3HG2 THR 61 3HG2 THR 61 13.708 1.104 2.381 476 H VAL 62 H VAL 62 9.157 -0.337 3.042 477 HA VAL 62 HA VAL 62 7.087 1.690 2.323 478 HB VAL 62 HB VAL 62 6.290 -0.318 1.489 479 1HG1 VAL 62 1HG1 VAL 62 6.009 -2.400 2.807 480 2HG1 VAL 62 2HG1 VAL 62 7.697 -2.014 2.484 481 3HG1 VAL 62 3HG1 VAL 62 7.014 -1.715 4.098 482 1HG2 VAL 62 1HG2 VAL 62 4.733 1.041 3.011 483 2HG2 VAL 62 2HG2 VAL 62 4.264 -0.639 2.681 484 3HG2 VAL 62 3HG2 VAL 62 4.993 -0.206 4.239 485 H SER 63 H SER 63 6.547 3.081 3.892 486 HA SER 63 HA SER 63 6.803 2.252 6.751 487 1HB SER 63 2HB SER 63 7.183 4.727 7.160 488 2HB SER 63 3HB SER 63 8.516 3.854 6.375 489 HG SER 63 HG SER 63 8.114 5.792 5.280 490 H TYR 64 H TYR 64 5.087 2.902 8.082 491 HA TYR 64 HA TYR 64 2.561 3.383 6.618 492 1HB TYR 64 2HB TYR 64 2.711 1.339 7.920 493 2HB TYR 64 3HB TYR 64 3.171 2.247 9.362 494 HD1 TYR 64 HD1 TYR 64 0.415 2.768 6.812 495 HD2 TYR 64 HD2 TYR 64 1.432 2.040 10.942 496 HE1 TYR 64 HE1 TYR 64 -1.870 3.330 7.492 497 HE2 TYR 64 HE2 TYR 64 -0.945 2.311 11.562 498 HH TYR 64 HH TYR 64 -3.038 2.904 10.840 499 H LEU 65 H LEU 65 1.263 5.095 7.068 500 HA LEU 65 HA LEU 65 2.165 7.146 8.982 501 1HB LEU 65 2HB LEU 65 0.858 7.525 6.300 502 2HB LEU 65 3HB LEU 65 1.051 8.781 7.523 503 HG LEU 65 HG LEU 65 3.611 7.905 7.504 504 1HD1 LEU 65 1HD1 LEU 65 3.182 6.182 5.821 505 2HD1 LEU 65 2HD1 LEU 65 2.550 7.405 4.696 506 3HD1 LEU 65 3HD1 LEU 65 4.272 7.420 5.187 507 1HD2 LEU 65 1HD2 LEU 65 2.884 10.201 7.171 508 2HD2 LEU 65 2HD2 LEU 65 4.123 9.740 5.983 509 3HD2 LEU 65 3HD2 LEU 65 2.414 9.827 5.496 510 H GLY 66 H GLY 66 -0.185 8.638 9.075 511 1HA GLY 66 2HA GLY 66 -1.565 7.373 11.110 512 2HA GLY 66 3HA GLY 66 -2.135 8.771 10.195 513 H LEU 67 H LEU 67 -3.937 7.294 11.219 514 HA LEU 67 HA LEU 67 -5.183 5.498 9.204 515 1HB LEU 67 2HB LEU 67 -4.848 4.322 11.296 516 2HB LEU 67 3HB LEU 67 -5.371 5.724 12.229 517 HG LEU 67 HG LEU 67 -7.700 5.438 11.356 518 1HD1 LEU 67 1HD1 LEU 67 -7.174 4.163 9.271 519 2HD1 LEU 67 2HD1 LEU 67 -6.638 2.797 10.279 520 3HD1 LEU 67 3HD1 LEU 67 -8.332 3.318 10.301 521 1HD2 LEU 67 1HD2 LEU 67 -7.008 4.543 13.540 522 2HD2 LEU 67 2HD2 LEU 67 -8.198 3.484 12.765 523 3HD2 LEU 67 3HD2 LEU 67 -6.480 3.032 12.768 524 H GLU 68 H GLU 68 -6.737 6.636 8.115 525 HA GLU 68 HA GLU 68 -8.396 8.647 9.549 526 1HB GLU 68 2HB GLU 68 -7.398 8.986 6.686 527 2HB GLU 68 3HB GLU 68 -8.457 10.057 7.604 528 1HG GLU 68 2HG GLU 68 -6.377 11.131 7.704 529 2HG GLU 68 3HG GLU 68 -6.481 10.311 9.269 Start of MODEL 6 1 1H MET 1 H1 MET 1 -12.304 4.869 3.828 2 2H MET 1 H2 MET 1 -13.667 3.951 3.681 3 3H MET 1 H3 MET 1 -13.333 5.125 2.568 4 HA MET 1 HA MET 1 -14.071 6.764 3.741 5 1HB MET 1 2HB MET 1 -15.960 5.274 3.727 6 2HB MET 1 3HB MET 1 -15.507 4.540 5.263 7 1HG MET 1 2HG MET 1 -16.079 7.508 4.920 8 2HG MET 1 3HG MET 1 -17.311 6.312 5.335 9 1HE MET 1 1HE MET 1 -16.816 8.383 8.635 10 2HE MET 1 2HE MET 1 -16.626 9.007 6.980 11 3HE MET 1 3HE MET 1 -17.971 7.901 7.369 12 HA PRO 2 HA PRO 2 -11.253 6.369 7.517 13 1HB PRO 2 2HB PRO 2 -10.311 3.895 8.104 14 2HB PRO 2 3HB PRO 2 -11.725 4.572 8.983 15 1HG PRO 2 2HG PRO 2 -11.682 2.624 6.659 16 2HG PRO 2 3HG PRO 2 -12.657 2.519 8.150 17 1HD PRO 2 2HD PRO 2 -13.614 3.473 5.787 18 2HD PRO 2 3HD PRO 2 -14.195 4.099 7.353 19 H LYS 3 H LYS 3 -8.896 5.884 7.024 20 HA LYS 3 HA LYS 3 -8.276 4.068 4.879 21 1HB LYS 3 2HB LYS 3 -7.193 5.633 3.350 22 2HB LYS 3 3HB LYS 3 -8.912 6.012 3.476 23 1HG LYS 3 2HG LYS 3 -8.403 7.805 5.118 24 2HG LYS 3 3HG LYS 3 -6.678 7.423 4.960 25 1HD LYS 3 2HD LYS 3 -8.398 8.359 2.658 26 2HD LYS 3 3HD LYS 3 -7.465 9.448 3.693 27 1HE LYS 3 2HE LYS 3 -6.255 7.173 2.059 28 2HE LYS 3 3HE LYS 3 -6.318 8.869 1.561 29 1HZ LYS 3 1HZ LYS 3 -4.795 7.835 3.908 30 2HZ LYS 3 2HZ LYS 3 -4.200 8.456 2.487 31 3HZ LYS 3 3HZ LYS 3 -5.015 9.365 3.628 32 H HIS 4 H HIS 4 -5.827 4.052 4.506 33 HA HIS 4 HA HIS 4 -4.260 5.273 6.713 34 1HB HIS 4 2HB HIS 4 -3.658 2.437 5.835 35 2HB HIS 4 3HB HIS 4 -3.081 3.320 7.232 36 HD1 HIS 4 1HD HIS 4 -6.218 4.007 8.228 37 HD2 HIS 4 2HD HIS 4 -4.560 0.337 7.047 38 HE1 HIS 4 1HE HIS 4 -7.705 2.178 9.217 39 H GLU 5 H GLU 5 -2.901 6.625 5.522 40 HA GLU 5 HA GLU 5 -1.936 5.789 2.910 41 1HB GLU 5 2HB GLU 5 -2.032 8.225 3.778 42 2HB GLU 5 3HB GLU 5 -0.542 7.828 4.636 43 1HG GLU 5 2HG GLU 5 0.272 6.928 2.273 44 2HG GLU 5 3HG GLU 5 -1.055 7.894 1.646 45 H PHE 6 H PHE 6 -0.157 4.651 2.383 46 HA PHE 6 HA PHE 6 1.912 4.148 4.458 47 1HB PHE 6 2HB PHE 6 1.074 2.367 2.155 48 2HB PHE 6 3HB PHE 6 2.608 2.204 3.005 49 HD1 PHE 6 1HD PHE 6 2.745 0.685 4.844 50 HD2 PHE 6 2HD PHE 6 -1.112 2.365 3.804 51 HE1 PHE 6 1HE PHE 6 1.647 -0.975 6.189 52 HE2 PHE 6 2HE PHE 6 -2.179 0.797 5.363 53 HZ PHE 6 HZ PHE 6 -0.837 -0.927 6.529 54 H SER 7 H SER 7 3.850 4.995 3.920 55 HA SER 7 HA SER 7 4.185 6.302 1.244 56 1HB SER 7 2HB SER 7 4.565 7.785 3.130 57 2HB SER 7 3HB SER 7 5.785 6.659 3.800 58 HG SER 7 HG SER 7 6.762 8.311 2.558 59 H VAL 8 H VAL 8 5.880 5.564 -0.074 60 HA VAL 8 HA VAL 8 7.055 2.931 0.651 61 HB VAL 8 HB VAL 8 5.366 3.473 -1.828 62 1HG1 VAL 8 1HG1 VAL 8 6.572 0.943 -0.628 63 2HG1 VAL 8 2HG1 VAL 8 5.241 0.892 -1.798 64 3HG1 VAL 8 3HG1 VAL 8 6.774 1.573 -2.271 65 1HG2 VAL 8 1HG2 VAL 8 4.551 2.257 0.823 66 2HG2 VAL 8 2HG2 VAL 8 3.788 3.597 -0.061 67 3HG2 VAL 8 3HG2 VAL 8 3.661 1.952 -0.675 68 H ASP 9 H ASP 9 8.382 2.230 -1.333 69 HA ASP 9 HA ASP 9 9.500 4.531 -2.885 70 1HB ASP 9 2HB ASP 9 11.449 3.487 -2.045 71 2HB ASP 9 3HB ASP 9 10.777 1.860 -2.272 72 H MET 10 H MET 10 8.129 4.673 -4.519 73 HA MET 10 HA MET 10 7.890 2.325 -6.268 74 1HB MET 10 2HB MET 10 5.676 4.372 -5.876 75 2HB MET 10 3HB MET 10 5.670 3.015 -7.028 76 1HG MET 10 2HG MET 10 5.830 1.427 -5.104 77 2HG MET 10 3HG MET 10 5.638 2.802 -4.010 78 1HE MET 10 1HE MET 10 1.994 3.983 -4.846 79 2HE MET 10 2HE MET 10 3.509 4.373 -4.001 80 3HE MET 10 3HE MET 10 3.406 4.508 -5.778 81 H THR 11 H THR 11 10.045 3.941 -6.347 82 HA THR 11 HA THR 11 9.544 6.343 -7.804 83 HB THR 11 HB THR 11 12.147 4.831 -7.392 84 HG1 THR 11 1HG THR 11 11.290 5.255 -5.452 85 1HG2 THR 11 1HG2 THR 11 13.129 7.146 -7.450 86 2HG2 THR 11 2HG2 THR 11 12.533 6.610 -9.023 87 3HG2 THR 11 3HG2 THR 11 11.576 7.757 -8.055 88 H CYS 12 HN CYS 12 9.322 3.186 -9.060 89 HA CYS 12 HA CYS 12 9.093 4.403 -11.671 90 1HB CYS 12 2HB CYS 12 10.265 2.468 -12.779 91 2HB CYS 12 3HB CYS 12 11.294 3.682 -12.021 92 H GLY 13 H GLY 13 7.714 3.357 -12.996 93 1HA GLY 13 2HA GLY 13 5.284 2.754 -12.186 94 2HA GLY 13 3HA GLY 13 5.952 2.018 -13.635 95 H GLY 14 H GLY 14 7.633 0.135 -12.878 96 1HA GLY 14 2HA GLY 14 5.902 -1.971 -12.458 97 2HA GLY 14 3HA GLY 14 7.675 -2.081 -12.307 98 H CYS 15 HN CYS 15 7.618 -0.109 -9.946 99 HA CYS 15 HA CYS 15 7.277 -2.091 -7.863 100 1HB CYS 15 2HB CYS 15 7.561 0.910 -7.820 101 2HB CYS 15 3HB CYS 15 7.577 -0.130 -6.375 102 H ALA 16 H ALA 16 5.218 0.503 -9.244 103 HA ALA 16 HA ALA 16 3.186 0.326 -7.188 104 1HB ALA 16 1HB ALA 16 3.349 2.288 -8.617 105 2HB ALA 16 2HB ALA 16 2.971 1.310 -10.061 106 3HB ALA 16 3HB ALA 16 1.767 1.497 -8.781 107 H GLU 17 H GLU 17 3.711 -1.221 -10.396 108 HA GLU 17 HA GLU 17 1.373 -2.811 -10.359 109 1HB GLU 17 2HB GLU 17 4.081 -3.588 -11.536 110 2HB GLU 17 3HB GLU 17 2.491 -4.235 -11.960 111 1HG GLU 17 2HG GLU 17 3.436 -1.369 -12.439 112 2HG GLU 17 3HG GLU 17 3.170 -2.626 -13.646 113 H ALA 18 H ALA 18 4.640 -3.575 -9.053 114 HA ALA 18 HA ALA 18 3.998 -6.141 -8.026 115 1HB ALA 18 1HB ALA 18 5.918 -4.073 -6.870 116 2HB ALA 18 2HB ALA 18 5.920 -5.812 -6.528 117 3HB ALA 18 3HB ALA 18 6.302 -5.229 -8.165 118 H VAL 19 H VAL 19 3.809 -2.911 -6.370 119 HA VAL 19 HA VAL 19 2.837 -3.823 -3.909 120 HB VAL 19 HB VAL 19 2.501 -1.240 -5.490 121 1HG1 VAL 19 1HG1 VAL 19 1.656 -2.007 -2.703 122 2HG1 VAL 19 2HG1 VAL 19 1.899 -0.308 -3.219 123 3HG1 VAL 19 3HG1 VAL 19 0.649 -1.293 -3.999 124 1HG2 VAL 19 1HG2 VAL 19 4.286 -0.396 -4.227 125 2HG2 VAL 19 2HG2 VAL 19 4.098 -1.594 -2.956 126 3HG2 VAL 19 3HG2 VAL 19 4.832 -2.057 -4.499 127 H SER 20 H SER 20 1.106 -2.807 -6.848 128 HA SER 20 HA SER 20 -1.554 -3.095 -5.986 129 1HB SER 20 2HB SER 20 -0.618 -2.161 -8.197 130 2HB SER 20 3HB SER 20 -0.485 -3.812 -8.776 131 HG SER 20 HG SER 20 -2.461 -2.862 -9.384 132 H ARG 21 H ARG 21 0.521 -5.489 -7.656 133 HA ARG 21 HA ARG 21 -1.189 -7.684 -7.526 134 1HB ARG 21 2HB ARG 21 0.498 -8.596 -8.581 135 2HB ARG 21 3HB ARG 21 1.482 -7.195 -8.282 136 1HG ARG 21 2HG ARG 21 2.442 -8.175 -6.278 137 2HG ARG 21 3HG ARG 21 1.391 -9.589 -6.396 138 1HD ARG 21 2HD ARG 21 2.435 -10.205 -8.530 139 2HD ARG 21 3HD ARG 21 3.371 -8.687 -8.531 140 HE ARG 21 HE ARG 21 3.913 -10.103 -6.125 141 1HH1 ARG 21 2HH2 ARG 21 4.533 -10.329 -9.582 142 2HH1 ARG 21 1HH2 ARG 21 6.065 -11.132 -9.437 143 1HH2 ARG 21 2HH1 ARG 21 5.960 -11.168 -5.869 144 2HH2 ARG 21 1HH1 ARG 21 6.885 -11.631 -7.258 145 H VAL 22 H VAL 22 1.083 -6.540 -4.964 146 HA VAL 22 HA VAL 22 0.740 -8.786 -3.246 147 HB VAL 22 HB VAL 22 2.018 -6.056 -3.306 148 1HG1 VAL 22 1HG1 VAL 22 2.639 -6.223 -0.936 149 2HG1 VAL 22 2HG1 VAL 22 0.974 -5.754 -1.325 150 3HG1 VAL 22 3HG1 VAL 22 1.329 -7.421 -0.743 151 1HG2 VAL 22 1HG2 VAL 22 3.202 -8.062 -4.025 152 2HG2 VAL 22 2HG2 VAL 22 3.965 -7.217 -2.665 153 3HG2 VAL 22 3HG2 VAL 22 3.048 -8.727 -2.378 154 H LEU 23 H LEU 23 -0.670 -5.492 -3.335 155 HA LEU 23 HA LEU 23 -2.334 -5.908 -1.040 156 1HB LEU 23 2HB LEU 23 -1.936 -3.826 -3.078 157 2HB LEU 23 3HB LEU 23 -3.592 -3.909 -2.597 158 HG LEU 23 HG LEU 23 -1.242 -3.868 -0.634 159 1HD1 LEU 23 1HD1 LEU 23 -1.221 -1.866 -2.135 160 2HD1 LEU 23 2HD1 LEU 23 -2.907 -1.534 -1.661 161 3HD1 LEU 23 3HD1 LEU 23 -1.590 -1.467 -0.458 162 1HD2 LEU 23 1HD2 LEU 23 -4.145 -3.040 -0.326 163 2HD2 LEU 23 2HD2 LEU 23 -3.571 -4.638 0.174 164 3HD2 LEU 23 3HD2 LEU 23 -2.952 -3.195 0.986 165 H ASN 24 H ASN 24 -2.850 -6.361 -4.554 166 HA ASN 24 HA ASN 24 -5.599 -6.974 -4.405 167 1HB ASN 24 2HB ASN 24 -4.579 -6.500 -6.549 168 2HB ASN 24 3HB ASN 24 -3.461 -7.866 -6.377 169 1HD2 ASN 24 1HD2 ASN 24 -6.997 -7.740 -5.612 170 2HD2 ASN 24 2HD2 ASN 24 -7.343 -9.096 -6.663 171 H LYS 25 H LYS 25 -2.715 -9.021 -3.950 172 HA LYS 25 HA LYS 25 -3.963 -11.450 -3.591 173 1HB LYS 25 2HB LYS 25 -1.436 -10.542 -3.182 174 2HB LYS 25 3HB LYS 25 -1.908 -10.819 -1.513 175 1HG LYS 25 2HG LYS 25 -1.879 -12.852 -3.806 176 2HG LYS 25 3HG LYS 25 -0.749 -12.719 -2.467 177 1HD LYS 25 2HD LYS 25 -1.990 -14.347 -1.535 178 2HD LYS 25 3HD LYS 25 -2.965 -12.991 -0.991 179 1HE LYS 25 2HE LYS 25 -4.059 -13.612 -3.537 180 2HE LYS 25 3HE LYS 25 -3.543 -15.185 -2.950 181 1HZ LYS 25 1HZ LYS 25 -5.318 -13.295 -1.551 182 2HZ LYS 25 2HZ LYS 25 -5.809 -14.644 -2.349 183 3HZ LYS 25 3HZ LYS 25 -4.904 -14.787 -0.979 184 H LEU 26 H LEU 26 -3.915 -8.751 -1.249 185 HA LEU 26 HA LEU 26 -5.505 -10.106 0.806 186 1HB LEU 26 2HB LEU 26 -4.024 -8.316 1.374 187 2HB LEU 26 3HB LEU 26 -4.788 -7.200 0.266 188 HG LEU 26 HG LEU 26 -5.356 -6.444 2.267 189 1HD1 LEU 26 1HD1 LEU 26 -7.697 -6.451 2.429 190 2HD1 LEU 26 2HD1 LEU 26 -7.331 -6.697 0.708 191 3HD1 LEU 26 3HD1 LEU 26 -7.865 -8.057 1.733 192 1HD2 LEU 26 1HD2 LEU 26 -6.306 -7.678 4.113 193 2HD2 LEU 26 2HD2 LEU 26 -6.238 -9.202 3.184 194 3HD2 LEU 26 3HD2 LEU 26 -4.735 -8.365 3.650 195 H GLY 27 H GLY 27 -6.116 -7.709 -1.801 196 1HA GLY 27 2HA GLY 27 -7.751 -7.912 -3.430 197 2HA GLY 27 3HA GLY 27 -8.563 -9.173 -2.508 198 H GLY 28 H GLY 28 -9.274 -8.035 -0.169 199 1HA GLY 28 2HA GLY 28 -11.492 -6.343 -0.973 200 2HA GLY 28 3HA GLY 28 -11.085 -6.867 0.665 201 H VAL 29 H VAL 29 -9.311 -4.870 -1.743 202 HA VAL 29 HA VAL 29 -9.061 -2.636 0.229 203 HB VAL 29 HB VAL 29 -6.665 -2.468 -0.660 204 1HG1 VAL 29 1HG1 VAL 29 -6.670 -3.133 1.535 205 2HG1 VAL 29 2HG1 VAL 29 -7.662 -4.561 1.235 206 3HG1 VAL 29 3HG1 VAL 29 -5.949 -4.581 0.803 207 1HG2 VAL 29 1HG2 VAL 29 -6.983 -5.415 -1.327 208 2HG2 VAL 29 2HG2 VAL 29 -7.024 -4.159 -2.571 209 3HG2 VAL 29 3HG2 VAL 29 -5.580 -4.364 -1.581 210 H LYS 30 H LYS 30 -9.082 -0.588 -0.669 211 HA LYS 30 HA LYS 30 -9.017 -0.297 -3.641 212 1HB LYS 30 2HB LYS 30 -11.197 0.290 -2.507 213 2HB LYS 30 3HB LYS 30 -10.346 1.433 -1.507 214 1HG LYS 30 2HG LYS 30 -10.942 1.543 -4.471 215 2HG LYS 30 3HG LYS 30 -11.508 2.622 -3.198 216 1HD LYS 30 2HD LYS 30 -8.754 2.489 -4.445 217 2HD LYS 30 3HD LYS 30 -9.899 3.788 -4.584 218 1HE LYS 30 2HE LYS 30 -8.890 3.131 -1.784 219 2HE LYS 30 3HE LYS 30 -7.821 3.876 -2.954 220 1HZ LYS 30 1HZ LYS 30 -9.419 5.619 -3.229 221 2HZ LYS 30 2HZ LYS 30 -10.327 5.051 -1.881 222 3HZ LYS 30 3HZ LYS 30 -8.733 5.555 -1.823 223 H TYR 31 H TYR 31 -7.119 0.942 -4.202 224 HA TYR 31 HA TYR 31 -5.641 2.267 -1.994 225 1HB TYR 31 2HB TYR 31 -3.576 1.095 -2.894 226 2HB TYR 31 3HB TYR 31 -4.660 0.211 -1.838 227 HD1 TYR 31 HD1 TYR 31 -6.286 -1.498 -2.787 228 HD2 TYR 31 HD2 TYR 31 -3.033 0.186 -5.022 229 HE1 TYR 31 HE1 TYR 31 -6.646 -3.184 -4.558 230 HE2 TYR 31 HE2 TYR 31 -3.352 -1.552 -6.783 231 HH TYR 31 HH TYR 31 -5.936 -4.016 -6.566 232 H ASP 32 H ASP 32 -5.480 4.352 -2.603 233 HA ASP 32 HA ASP 32 -5.421 5.011 -5.450 234 1HB ASP 32 2HB ASP 32 -5.084 7.074 -3.288 235 2HB ASP 32 3HB ASP 32 -5.765 7.188 -4.883 236 H ILE 33 H ILE 33 -3.534 4.722 -6.390 237 HA ILE 33 HA ILE 33 -0.977 4.641 -4.943 238 HB ILE 33 HB ILE 33 -2.015 3.982 -7.708 239 1HG1 ILE 33 2HG1 ILE 33 -0.529 1.990 -6.038 240 2HG1 ILE 33 3HG1 ILE 33 -2.087 2.502 -5.382 241 1HG2 ILE 33 1HG2 ILE 33 0.890 3.787 -6.846 242 2HG2 ILE 33 2HG2 ILE 33 0.178 3.055 -8.298 243 3HG2 ILE 33 3HG2 ILE 33 0.216 4.807 -8.138 244 1HD1 ILE 33 1HD1 ILE 33 -3.327 1.809 -7.233 245 2HD1 ILE 33 2HD1 ILE 33 -1.896 1.684 -8.294 246 3HD1 ILE 33 3HD1 ILE 33 -2.138 0.502 -7.009 247 H ASP 34 H ASP 34 0.497 6.269 -4.967 248 HA ASP 34 HA ASP 34 0.428 8.259 -7.203 249 1HB ASP 34 2HB ASP 34 -0.203 9.291 -5.041 250 2HB ASP 34 3HB ASP 34 1.323 8.712 -4.346 251 H LEU 35 H LEU 35 2.060 7.813 -8.493 252 HA LEU 35 HA LEU 35 4.404 6.265 -7.693 253 1HB LEU 35 2HB LEU 35 3.399 7.482 -10.264 254 2HB LEU 35 3HB LEU 35 5.118 7.159 -10.094 255 HG LEU 35 HG LEU 35 3.852 5.404 -11.288 256 1HD1 LEU 35 1HD1 LEU 35 5.119 4.402 -8.718 257 2HD1 LEU 35 2HD1 LEU 35 4.832 3.435 -10.159 258 3HD1 LEU 35 3HD1 LEU 35 5.980 4.781 -10.223 259 1HD2 LEU 35 1HD2 LEU 35 2.370 3.893 -10.158 260 2HD2 LEU 35 2HD2 LEU 35 2.625 4.715 -8.603 261 3HD2 LEU 35 3HD2 LEU 35 1.764 5.545 -9.928 262 HA PRO 36 HA PRO 36 6.854 10.229 -8.638 263 1HB PRO 36 2HB PRO 36 5.624 12.723 -8.458 264 2HB PRO 36 3HB PRO 36 5.885 11.796 -9.962 265 1HG PRO 36 2HG PRO 36 3.401 11.857 -8.234 266 2HG PRO 36 3HG PRO 36 3.505 12.048 -10.008 267 1HD PRO 36 2HD PRO 36 2.847 9.696 -8.963 268 2HD PRO 36 3HD PRO 36 4.039 9.733 -10.294 269 H ASN 37 H ASN 37 4.254 10.424 -6.224 270 HA ASN 37 HA ASN 37 6.180 11.551 -4.216 271 1HB ASN 37 2HB ASN 37 3.197 11.117 -3.942 272 2HB ASN 37 3HB ASN 37 4.281 11.845 -2.768 273 1HD2 ASN 37 1HD2 ASN 37 2.178 12.604 -5.333 274 2HD2 ASN 37 2HD2 ASN 37 2.763 14.245 -5.606 275 H LYS 38 H LYS 38 5.285 8.518 -5.366 276 HA LYS 38 HA LYS 38 5.400 6.430 -4.608 277 1HB LYS 38 2HB LYS 38 7.522 7.552 -2.731 278 2HB LYS 38 3HB LYS 38 7.243 5.887 -3.203 279 1HG LYS 38 2HG LYS 38 9.088 6.512 -4.473 280 2HG LYS 38 3HG LYS 38 7.703 6.474 -5.584 281 1HD LYS 38 2HD LYS 38 9.255 8.273 -6.052 282 2HD LYS 38 3HD LYS 38 7.637 8.849 -5.687 283 1HE LYS 38 2HE LYS 38 8.342 9.474 -3.392 284 2HE LYS 38 3HE LYS 38 9.982 8.899 -3.749 285 1HZ LYS 38 1HZ LYS 38 8.562 11.013 -5.253 286 2HZ LYS 38 2HZ LYS 38 9.635 11.319 -4.032 287 3HZ LYS 38 3HZ LYS 38 10.137 10.591 -5.426 288 H LYS 39 H LYS 39 3.099 7.008 -3.688 289 HA LYS 39 HA LYS 39 3.074 6.199 -0.828 290 1HB LYS 39 2HB LYS 39 1.717 8.608 -2.126 291 2HB LYS 39 3HB LYS 39 1.103 7.891 -0.653 292 1HG LYS 39 2HG LYS 39 2.989 8.531 0.616 293 2HG LYS 39 3HG LYS 39 3.947 8.938 -0.821 294 1HD LYS 39 2HD LYS 39 2.523 10.772 -1.413 295 2HD LYS 39 3HD LYS 39 1.293 10.332 -0.231 296 1HE LYS 39 2HE LYS 39 4.111 11.165 0.594 297 2HE LYS 39 3HE LYS 39 2.802 12.331 0.320 298 1HZ LYS 39 1HZ LYS 39 2.857 11.731 2.647 299 2HZ LYS 39 2HZ LYS 39 1.473 11.108 1.973 300 3HZ LYS 39 3HZ LYS 39 2.653 10.126 2.289 301 H VAL 40 H VAL 40 1.119 5.182 -0.204 302 HA VAL 40 HA VAL 40 -0.844 4.565 -2.344 303 HB VAL 40 HB VAL 40 0.155 2.608 -0.230 304 1HG1 VAL 40 1HG1 VAL 40 -1.427 2.226 -2.807 305 2HG1 VAL 40 2HG1 VAL 40 -1.119 1.007 -1.545 306 3HG1 VAL 40 3HG1 VAL 40 -2.170 2.408 -1.212 307 1HG2 VAL 40 1HG2 VAL 40 2.006 3.050 -1.840 308 2HG2 VAL 40 2HG2 VAL 40 1.321 1.432 -1.992 309 3HG2 VAL 40 3HG2 VAL 40 0.889 2.687 -3.180 310 H CYS 41 H CYS 41 -2.620 5.637 -1.646 311 HA CYS 41 HA CYS 41 -3.333 5.857 1.264 312 1HB CYS 41 2HB CYS 41 -4.357 6.922 -1.346 313 2HB CYS 41 3HB CYS 41 -5.423 6.927 0.041 314 HG CYS 41 HG CYS 41 -2.356 8.108 0.094 315 H ILE 42 H ILE 42 -3.872 3.818 2.018 316 HA ILE 42 HA ILE 42 -5.541 2.261 0.177 317 HB ILE 42 HB ILE 42 -4.519 1.247 2.825 318 1HG1 ILE 42 2HG1 ILE 42 -3.238 1.012 0.081 319 2HG1 ILE 42 3HG1 ILE 42 -2.615 1.985 1.444 320 1HG2 ILE 42 1HG2 ILE 42 -4.986 -0.968 1.544 321 2HG2 ILE 42 2HG2 ILE 42 -6.412 0.037 1.775 322 3HG2 ILE 42 3HG2 ILE 42 -5.583 0.000 0.219 323 1HD1 ILE 42 1HD1 ILE 42 -2.785 -1.024 1.472 324 2HD1 ILE 42 2HD1 ILE 42 -1.378 -0.011 1.190 325 3HD1 ILE 42 3HD1 ILE 42 -2.165 0.035 2.763 326 H GLU 43 H GLU 43 -7.627 2.085 0.384 327 HA GLU 43 HA GLU 43 -9.044 2.990 2.845 328 1HB GLU 43 2HB GLU 43 -9.196 4.297 0.571 329 2HB GLU 43 3HB GLU 43 -10.164 2.909 0.036 330 1HG GLU 43 2HG GLU 43 -11.684 3.302 1.967 331 2HG GLU 43 3HG GLU 43 -10.723 4.754 2.354 332 H SER 44 H SER 44 -9.654 1.086 3.894 333 HA SER 44 HA SER 44 -10.587 -1.244 2.339 334 1HB SER 44 2HB SER 44 -8.105 -1.345 2.265 335 2HB SER 44 3HB SER 44 -8.050 -1.264 4.041 336 HG SER 44 HG SER 44 -9.253 -3.251 4.018 337 H GLU 45 H GLU 45 -12.102 -2.314 3.530 338 HA GLU 45 HA GLU 45 -12.477 -1.679 6.381 339 1HB GLU 45 2HB GLU 45 -13.966 -3.589 4.527 340 2HB GLU 45 3HB GLU 45 -14.432 -3.125 6.169 341 1HG GLU 45 2HG GLU 45 -14.537 -0.722 5.426 342 2HG GLU 45 3HG GLU 45 -14.219 -1.248 3.762 343 H HIS 46 H HIS 46 -10.059 -2.482 6.414 344 HA HIS 46 HA HIS 46 -10.028 -5.164 7.602 345 1HB HIS 46 2HB HIS 46 -8.112 -4.290 5.380 346 2HB HIS 46 3HB HIS 46 -7.749 -5.547 6.543 347 HD1 HIS 46 1HD HIS 46 -8.312 -7.913 5.866 348 HD2 HIS 46 2HD HIS 46 -10.435 -4.974 3.731 349 HE1 HIS 46 1HE HIS 46 -9.506 -9.108 3.957 350 H SER 47 H SER 47 -7.858 -5.272 8.920 351 HA SER 47 HA SER 47 -7.606 -2.686 10.276 352 1HB SER 47 2HB SER 47 -7.553 -4.789 11.590 353 2HB SER 47 3HB SER 47 -6.098 -5.280 10.717 354 HG SER 47 HG SER 47 -6.411 -3.311 12.663 355 H MET 48 H MET 48 -5.648 -1.577 10.524 356 HA MET 48 HA MET 48 -3.837 -1.348 8.359 357 1HB MET 48 2HB MET 48 -2.526 0.022 9.727 358 2HB MET 48 3HB MET 48 -4.207 0.350 10.189 359 1HG MET 48 2HG MET 48 -3.835 -1.427 12.007 360 2HG MET 48 3HG MET 48 -2.099 -1.265 11.639 361 1HE MET 48 1HE MET 48 -2.423 0.494 15.107 362 2HE MET 48 2HE MET 48 -3.339 -0.925 14.545 363 3HE MET 48 3HE MET 48 -1.601 -0.777 14.171 364 H ASP 49 H ASP 49 -4.022 -3.623 11.085 365 HA ASP 49 HA ASP 49 -1.353 -4.634 10.942 366 1HB ASP 49 2HB ASP 49 -2.097 -5.952 12.590 367 2HB ASP 49 3HB ASP 49 -3.693 -5.228 12.442 368 H THR 50 H THR 50 -4.352 -5.816 9.424 369 HA THR 50 HA THR 50 -3.196 -7.819 7.939 370 HB THR 50 HB THR 50 -5.617 -6.498 6.785 371 HG1 THR 50 1HG THR 50 -5.468 -7.252 9.529 372 1HG2 THR 50 1HG2 THR 50 -5.114 -9.278 7.934 373 2HG2 THR 50 2HG2 THR 50 -6.532 -8.770 6.997 374 3HG2 THR 50 3HG2 THR 50 -4.932 -8.825 6.224 375 H LEU 51 H LEU 51 -3.980 -4.450 7.015 376 HA LEU 51 HA LEU 51 -2.956 -4.532 4.352 377 1HB LEU 51 2HB LEU 51 -2.915 -2.248 6.379 378 2HB LEU 51 3HB LEU 51 -2.456 -2.132 4.688 379 HG LEU 51 HG LEU 51 -5.170 -2.270 5.933 380 1HD1 LEU 51 1HD1 LEU 51 -3.966 -1.096 3.402 381 2HD1 LEU 51 2HD1 LEU 51 -5.597 -0.725 4.016 382 3HD1 LEU 51 3HD1 LEU 51 -4.156 -0.223 4.914 383 1HD2 LEU 51 1HD2 LEU 51 -5.308 -4.358 4.610 384 2HD2 LEU 51 2HD2 LEU 51 -6.248 -3.066 3.874 385 3HD2 LEU 51 3HD2 LEU 51 -4.675 -3.498 3.180 386 H LEU 52 H LEU 52 -1.249 -3.659 7.397 387 HA LEU 52 HA LEU 52 1.271 -3.163 6.356 388 1HB LEU 52 2HB LEU 52 0.239 -4.025 8.961 389 2HB LEU 52 3HB LEU 52 1.934 -4.360 8.649 390 HG LEU 52 HG LEU 52 0.763 -1.627 8.063 391 1HD1 LEU 52 1HD1 LEU 52 1.310 -0.876 10.284 392 2HD1 LEU 52 2HD1 LEU 52 0.015 -2.083 10.248 393 3HD1 LEU 52 3HD1 LEU 52 1.651 -2.567 10.767 394 1HD2 LEU 52 1HD2 LEU 52 3.153 -2.215 7.375 395 2HD2 LEU 52 2HD2 LEU 52 3.074 -0.884 8.539 396 3HD2 LEU 52 3HD2 LEU 52 3.518 -2.513 9.082 397 H ALA 53 H ALA 53 0.089 -6.267 7.700 398 HA ALA 53 HA ALA 53 2.333 -7.844 7.143 399 1HB ALA 53 1HB ALA 53 0.483 -8.486 8.657 400 2HB ALA 53 2HB ALA 53 -0.606 -8.666 7.265 401 3HB ALA 53 3HB ALA 53 0.788 -9.753 7.452 402 H THR 54 H THR 54 -0.445 -7.048 5.013 403 HA THR 54 HA THR 54 0.385 -8.765 2.857 404 HB THR 54 HB THR 54 -1.347 -6.251 2.888 405 HG1 THR 54 1HG THR 54 -2.225 -7.784 4.215 406 1HG2 THR 54 1HG2 THR 54 -1.155 -8.530 0.894 407 2HG2 THR 54 2HG2 THR 54 -2.274 -7.148 0.848 408 3HG2 THR 54 3HG2 THR 54 -0.550 -6.873 0.637 409 H LEU 55 H LEU 55 0.822 -5.256 3.584 410 HA LEU 55 HA LEU 55 1.924 -4.762 0.974 411 1HB LEU 55 2HB LEU 55 1.203 -3.230 3.390 412 2HB LEU 55 3HB LEU 55 2.649 -2.625 2.587 413 HG LEU 55 HG LEU 55 -0.162 -2.738 1.517 414 1HD1 LEU 55 1HD1 LEU 55 0.146 -0.838 2.849 415 2HD1 LEU 55 2HD1 LEU 55 1.851 -0.652 2.444 416 3HD1 LEU 55 3HD1 LEU 55 0.669 -0.199 1.262 417 1HD2 LEU 55 1HD2 LEU 55 0.750 -1.587 -0.489 418 2HD2 LEU 55 2HD2 LEU 55 2.392 -2.068 -0.004 419 3HD2 LEU 55 3HD2 LEU 55 1.168 -3.294 -0.428 420 H LYS 56 H LYS 56 3.337 -5.400 4.174 421 HA LYS 56 HA LYS 56 6.062 -4.983 3.844 422 1HB LYS 56 2HB LYS 56 4.258 -6.818 5.339 423 2HB LYS 56 3HB LYS 56 5.795 -7.527 4.946 424 1HG LYS 56 2HG LYS 56 5.927 -6.655 7.031 425 2HG LYS 56 3HG LYS 56 7.030 -5.710 6.041 426 1HD LYS 56 2HD LYS 56 4.239 -4.739 6.910 427 2HD LYS 56 3HD LYS 56 5.640 -4.666 7.947 428 1HE LYS 56 2HE LYS 56 5.730 -2.560 7.180 429 2HE LYS 56 3HE LYS 56 6.832 -3.332 6.044 430 1HZ LYS 56 1HZ LYS 56 3.978 -2.737 5.541 431 2HZ LYS 56 2HZ LYS 56 5.254 -1.809 5.060 432 3HZ LYS 56 3HZ LYS 56 5.044 -3.331 4.443 433 H LYS 57 H LYS 57 4.048 -7.415 2.108 434 HA LYS 57 HA LYS 57 6.328 -9.019 1.395 435 1HB LYS 57 2HB LYS 57 3.579 -8.983 0.115 436 2HB LYS 57 3HB LYS 57 4.810 -10.255 0.008 437 1HG LYS 57 2HG LYS 57 4.705 -10.422 2.559 438 2HG LYS 57 3HG LYS 57 3.289 -9.361 2.488 439 1HD LYS 57 2HD LYS 57 2.395 -11.126 0.733 440 2HD LYS 57 3HD LYS 57 3.603 -12.186 1.461 441 1HE LYS 57 2HE LYS 57 1.081 -10.991 2.646 442 2HE LYS 57 3HE LYS 57 1.632 -12.667 2.662 443 1HZ LYS 57 1HZ LYS 57 3.392 -11.873 4.239 444 2HZ LYS 57 2HZ LYS 57 2.595 -10.418 4.309 445 3HZ LYS 57 3HZ LYS 57 1.852 -11.780 4.813 446 H THR 58 H THR 58 5.394 -5.953 0.192 447 HA THR 58 HA THR 58 6.597 -6.022 -2.464 448 HB THR 58 HB THR 58 7.052 -3.660 -2.010 449 HG1 THR 58 1HG THR 58 5.853 -3.994 0.514 450 1HG2 THR 58 1HG2 THR 58 4.302 -4.670 -1.208 451 2HG2 THR 58 2HG2 THR 58 4.702 -2.966 -1.418 452 3HG2 THR 58 3HG2 THR 58 4.854 -4.100 -2.793 453 H GLY 59 H GLY 59 7.787 -5.882 0.855 454 1HA GLY 59 2HA GLY 59 9.738 -6.081 1.804 455 2HA GLY 59 3HA GLY 59 10.398 -6.905 0.365 456 H LYS 60 H LYS 60 9.072 -3.584 0.797 457 HA LYS 60 HA LYS 60 11.738 -2.374 0.215 458 1HB LYS 60 2HB LYS 60 9.032 -1.322 -0.630 459 2HB LYS 60 3HB LYS 60 10.623 -0.768 -1.130 460 1HG LYS 60 2HG LYS 60 11.007 -3.081 -2.210 461 2HG LYS 60 3HG LYS 60 9.308 -3.406 -1.890 462 1HD LYS 60 2HD LYS 60 9.257 -2.699 -4.090 463 2HD LYS 60 3HD LYS 60 8.779 -1.253 -3.186 464 1HE LYS 60 2HE LYS 60 11.369 -0.678 -3.197 465 2HE LYS 60 3HE LYS 60 11.495 -1.879 -4.481 466 1HZ LYS 60 1HZ LYS 60 9.693 0.460 -4.566 467 2HZ LYS 60 2HZ LYS 60 11.231 0.517 -5.047 468 3HZ LYS 60 3HZ LYS 60 10.159 -0.444 -5.869 469 H THR 61 H THR 61 11.261 0.200 0.689 470 HA THR 61 HA THR 61 10.756 0.386 3.463 471 HB THR 61 HB THR 61 10.980 2.655 1.560 472 HG1 THR 61 1HG THR 61 13.101 1.009 2.463 473 1HG2 THR 61 1HG2 THR 61 12.354 3.670 3.359 474 2HG2 THR 61 2HG2 THR 61 10.749 3.231 3.968 475 3HG2 THR 61 3HG2 THR 61 12.153 2.209 4.349 476 H VAL 62 H VAL 62 8.496 -0.625 2.898 477 HA VAL 62 HA VAL 62 6.430 1.401 2.249 478 HB VAL 62 HB VAL 62 6.206 -0.483 1.052 479 1HG1 VAL 62 1HG1 VAL 62 7.387 -2.252 1.903 480 2HG1 VAL 62 2HG1 VAL 62 6.794 -2.046 3.549 481 3HG1 VAL 62 3HG1 VAL 62 5.746 -2.768 2.312 482 1HG2 VAL 62 1HG2 VAL 62 4.139 -0.890 3.222 483 2HG2 VAL 62 2HG2 VAL 62 4.115 0.451 2.064 484 3HG2 VAL 62 3HG2 VAL 62 4.024 -1.212 1.476 485 H SER 63 H SER 63 6.441 2.680 3.904 486 HA SER 63 HA SER 63 6.189 1.691 6.703 487 1HB SER 63 2HB SER 63 6.811 4.459 5.596 488 2HB SER 63 3HB SER 63 6.883 3.974 7.300 489 HG SER 63 HG SER 63 8.495 2.419 6.657 490 H TYR 64 H TYR 64 4.379 1.987 7.875 491 HA TYR 64 HA TYR 64 1.899 2.967 6.679 492 1HB TYR 64 2HB TYR 64 1.721 1.021 8.006 493 2HB TYR 64 3HB TYR 64 2.788 1.646 9.251 494 HD1 TYR 64 HD1 TYR 64 -0.690 1.796 7.933 495 HD2 TYR 64 HD2 TYR 64 2.016 2.958 11.085 496 HE1 TYR 64 HE1 TYR 64 -2.610 2.489 9.341 497 HE2 TYR 64 HE2 TYR 64 0.091 3.674 12.469 498 HH TYR 64 HH TYR 64 -3.234 3.698 11.193 499 H LEU 65 H LEU 65 1.051 4.982 6.960 500 HA LEU 65 HA LEU 65 2.166 6.833 9.033 501 1HB LEU 65 2HB LEU 65 0.572 7.366 6.525 502 2HB LEU 65 3HB LEU 65 0.809 8.517 7.831 503 HG LEU 65 HG LEU 65 3.383 7.918 7.567 504 1HD1 LEU 65 1HD1 LEU 65 4.008 7.570 5.246 505 2HD1 LEU 65 2HD1 LEU 65 3.135 6.167 5.851 506 3HD1 LEU 65 3HD1 LEU 65 2.309 7.313 4.779 507 1HD2 LEU 65 1HD2 LEU 65 3.576 9.833 6.051 508 2HD2 LEU 65 2HD2 LEU 65 1.828 9.727 5.702 509 3HD2 LEU 65 3HD2 LEU 65 2.398 10.087 7.356 510 H GLY 66 H GLY 66 0.148 8.253 9.821 511 1HA GLY 66 2HA GLY 66 -1.037 6.549 11.689 512 2HA GLY 66 3HA GLY 66 -1.505 8.230 11.391 513 H LEU 67 H LEU 67 -3.407 6.567 12.266 514 HA LEU 67 HA LEU 67 -4.975 5.355 10.162 515 1HB LEU 67 2HB LEU 67 -4.766 5.017 12.839 516 2HB LEU 67 3HB LEU 67 -6.031 6.230 12.868 517 HG LEU 67 HG LEU 67 -7.058 4.175 13.038 518 1HD1 LEU 67 1HD1 LEU 67 -8.491 3.921 11.099 519 2HD1 LEU 67 2HD1 LEU 67 -8.163 5.643 11.349 520 3HD1 LEU 67 3HD1 LEU 67 -7.329 4.752 10.057 521 1HD2 LEU 67 1HD2 LEU 67 -5.229 2.715 12.481 522 2HD2 LEU 67 2HD2 LEU 67 -6.653 2.225 11.557 523 3HD2 LEU 67 3HD2 LEU 67 -5.341 3.126 10.763 524 H GLU 68 H GLU 68 -6.549 6.444 8.930 525 HA GLU 68 HA GLU 68 -7.215 9.277 9.610 526 1HB GLU 68 2HB GLU 68 -6.980 7.897 6.966 527 2HB GLU 68 3HB GLU 68 -7.324 9.612 7.176 528 1HG GLU 68 2HG GLU 68 -5.027 10.036 7.864 529 2HG GLU 68 3HG GLU 68 -4.675 8.307 8.004 Start of MODEL 7 1 1H MET 1 H1 MET 1 -11.120 7.249 9.354 2 2H MET 1 H2 MET 1 -12.619 7.876 9.436 3 3H MET 1 H3 MET 1 -12.043 6.774 10.576 4 HA MET 1 HA MET 1 -13.567 5.660 9.074 5 1HB MET 1 2HB MET 1 -11.657 5.629 6.821 6 2HB MET 1 3HB MET 1 -13.409 5.847 6.824 7 1HG MET 1 2HG MET 1 -11.267 7.955 7.229 8 2HG MET 1 3HG MET 1 -12.290 7.747 5.819 9 1HE MET 1 1HE MET 1 -12.399 10.482 6.232 10 2HE MET 1 2HE MET 1 -13.201 11.200 7.649 11 3HE MET 1 3HE MET 1 -11.645 10.363 7.842 12 HA PRO 2 HA PRO 2 -9.837 2.820 9.413 13 1HB PRO 2 2HB PRO 2 -10.204 0.669 7.905 14 2HB PRO 2 3HB PRO 2 -11.354 1.008 9.222 15 1HG PRO 2 2HG PRO 2 -11.711 1.637 6.279 16 2HG PRO 2 3HG PRO 2 -12.876 0.847 7.376 17 1HD PRO 2 2HD PRO 2 -12.832 3.551 6.750 18 2HD PRO 2 3HD PRO 2 -13.525 2.916 8.269 19 H LYS 3 H LYS 3 -9.291 5.170 8.060 20 HA LYS 3 HA LYS 3 -8.429 4.451 5.316 21 1HB LYS 3 2HB LYS 3 -9.804 6.459 5.650 22 2HB LYS 3 3HB LYS 3 -8.555 7.138 6.705 23 1HG LYS 3 2HG LYS 3 -6.939 7.079 4.897 24 2HG LYS 3 3HG LYS 3 -8.120 6.267 3.847 25 1HD LYS 3 2HD LYS 3 -9.590 8.281 3.979 26 2HD LYS 3 3HD LYS 3 -8.456 9.058 5.093 27 1HE LYS 3 2HE LYS 3 -8.314 9.786 2.647 28 2HE LYS 3 3HE LYS 3 -6.780 9.312 3.413 29 1HZ LYS 3 1HZ LYS 3 -6.787 7.303 2.344 30 2HZ LYS 3 2HZ LYS 3 -8.384 7.417 1.847 31 3HZ LYS 3 3HZ LYS 3 -7.201 8.355 1.159 32 H HIS 4 H HIS 4 -6.323 4.234 4.806 33 HA HIS 4 HA HIS 4 -4.294 4.302 6.986 34 1HB HIS 4 2HB HIS 4 -5.062 1.887 5.308 35 2HB HIS 4 3HB HIS 4 -3.818 1.997 6.572 36 HD1 HIS 4 1HD HIS 4 -6.077 3.537 8.591 37 HD2 HIS 4 2HD HIS 4 -6.283 -0.146 6.575 38 HE1 HIS 4 1HE HIS 4 -7.602 2.007 9.980 39 H GLU 5 H GLU 5 -3.067 5.804 5.911 40 HA GLU 5 HA GLU 5 -2.192 5.288 3.136 41 1HB GLU 5 2HB GLU 5 -2.047 7.623 5.016 42 2HB GLU 5 3HB GLU 5 -0.929 7.543 3.659 43 1HG GLU 5 2HG GLU 5 -2.935 8.895 3.215 44 2HG GLU 5 3HG GLU 5 -2.887 7.490 2.166 45 H PHE 6 H PHE 6 -0.071 5.080 2.471 46 HA PHE 6 HA PHE 6 2.016 4.489 4.481 47 1HB PHE 6 2HB PHE 6 1.215 2.691 2.159 48 2HB PHE 6 3HB PHE 6 2.647 2.467 3.153 49 HD1 PHE 6 1HD PHE 6 -1.119 2.533 3.301 50 HD2 PHE 6 2HD PHE 6 2.525 1.130 5.167 51 HE1 PHE 6 1HE PHE 6 -2.424 1.142 4.840 52 HE2 PHE 6 2HE PHE 6 1.218 -0.439 6.502 53 HZ PHE 6 HZ PHE 6 -1.276 -0.400 6.423 54 H SER 7 H SER 7 4.093 4.985 3.672 55 HA SER 7 HA SER 7 4.209 6.155 0.915 56 1HB SER 7 2HB SER 7 4.572 7.926 2.543 57 2HB SER 7 3HB SER 7 5.917 7.012 3.252 58 HG SER 7 HG SER 7 5.861 7.569 0.455 59 H VAL 8 H VAL 8 5.863 5.388 -0.399 60 HA VAL 8 HA VAL 8 7.147 2.867 0.518 61 HB VAL 8 HB VAL 8 5.216 3.203 -1.824 62 1HG1 VAL 8 1HG1 VAL 8 6.702 0.765 -0.782 63 2HG1 VAL 8 2HG1 VAL 8 5.256 0.645 -1.800 64 3HG1 VAL 8 3HG1 VAL 8 6.683 1.422 -2.439 65 1HG2 VAL 8 1HG2 VAL 8 4.808 1.982 0.918 66 2HG2 VAL 8 2HG2 VAL 8 3.861 3.264 0.140 67 3HG2 VAL 8 3HG2 VAL 8 3.762 1.608 -0.453 68 H ASP 9 H ASP 9 8.378 1.998 -1.519 69 HA ASP 9 HA ASP 9 9.789 4.231 -2.930 70 1HB ASP 9 2HB ASP 9 11.461 2.900 -1.945 71 2HB ASP 9 3HB ASP 9 10.592 1.395 -2.265 72 H MET 10 H MET 10 8.695 4.649 -4.770 73 HA MET 10 HA MET 10 8.614 2.388 -6.634 74 1HB MET 10 2HB MET 10 6.599 4.659 -6.859 75 2HB MET 10 3HB MET 10 6.755 3.210 -7.865 76 1HG MET 10 2HG MET 10 4.928 2.832 -6.529 77 2HG MET 10 3HG MET 10 6.165 1.870 -5.721 78 1HE MET 10 1HE MET 10 3.122 3.313 -5.053 79 2HE MET 10 2HE MET 10 3.795 2.051 -3.982 80 3HE MET 10 3HE MET 10 3.323 3.643 -3.326 81 H THR 11 H THR 11 10.894 3.443 -6.380 82 HA THR 11 HA THR 11 11.309 5.822 -7.938 83 HB THR 11 HB THR 11 13.234 3.566 -7.242 84 HG1 THR 11 1HG THR 11 12.370 4.434 -5.411 85 1HG2 THR 11 1HG2 THR 11 13.726 6.471 -8.051 86 2HG2 THR 11 2HG2 THR 11 14.953 5.373 -7.385 87 3HG2 THR 11 3HG2 THR 11 14.227 5.026 -8.961 88 H CYS 12 HN CYS 12 10.582 2.527 -8.884 89 HA CYS 12 HA CYS 12 10.654 3.450 -11.656 90 1HB CYS 12 2HB CYS 12 11.287 1.125 -12.376 91 2HB CYS 12 3HB CYS 12 12.583 2.146 -11.753 92 H GLY 13 H GLY 13 8.913 2.882 -12.769 93 1HA GLY 13 2HA GLY 13 6.553 2.961 -11.481 94 2HA GLY 13 3HA GLY 13 6.710 2.360 -13.138 95 H GLY 14 H GLY 14 8.126 -0.029 -12.603 96 1HA GLY 14 2HA GLY 14 6.039 -1.808 -12.326 97 2HA GLY 14 3HA GLY 14 7.751 -2.238 -12.136 98 H CYS 15 HN CYS 15 7.945 -0.370 -9.664 99 HA CYS 15 HA CYS 15 7.220 -2.313 -7.679 100 1HB CYS 15 2HB CYS 15 7.860 0.623 -7.532 101 2HB CYS 15 3HB CYS 15 7.603 -0.388 -6.104 102 H ALA 16 H ALA 16 5.450 0.470 -9.090 103 HA ALA 16 HA ALA 16 3.322 0.499 -7.143 104 1HB ALA 16 1HB ALA 16 2.103 1.767 -8.825 105 2HB ALA 16 2HB ALA 16 3.772 2.359 -8.729 106 3HB ALA 16 3HB ALA 16 3.265 1.320 -10.080 107 H GLU 17 H GLU 17 3.838 -1.158 -10.278 108 HA GLU 17 HA GLU 17 1.353 -2.519 -10.413 109 1HB GLU 17 2HB GLU 17 4.060 -3.460 -11.465 110 2HB GLU 17 3HB GLU 17 2.469 -4.020 -11.972 111 1HG GLU 17 2HG GLU 17 1.923 -1.779 -12.842 112 2HG GLU 17 3HG GLU 17 3.494 -1.155 -12.308 113 H ALA 18 H ALA 18 4.522 -3.539 -9.070 114 HA ALA 18 HA ALA 18 3.774 -6.083 -8.116 115 1HB ALA 18 1HB ALA 18 6.110 -5.240 -8.224 116 2HB ALA 18 2HB ALA 18 5.759 -4.132 -6.877 117 3HB ALA 18 3HB ALA 18 5.702 -5.882 -6.616 118 H VAL 19 H VAL 19 3.728 -2.903 -6.352 119 HA VAL 19 HA VAL 19 2.695 -3.807 -3.928 120 HB VAL 19 HB VAL 19 2.392 -1.210 -5.494 121 1HG1 VAL 19 1HG1 VAL 19 1.737 -0.289 -3.257 122 2HG1 VAL 19 2HG1 VAL 19 0.511 -1.298 -4.031 123 3HG1 VAL 19 3HG1 VAL 19 1.519 -1.992 -2.724 124 1HG2 VAL 19 1HG2 VAL 19 4.698 -2.084 -4.381 125 2HG2 VAL 19 2HG2 VAL 19 4.197 -0.385 -4.345 126 3HG2 VAL 19 3HG2 VAL 19 3.939 -1.405 -2.932 127 H SER 20 H SER 20 1.000 -2.677 -6.872 128 HA SER 20 HA SER 20 -1.596 -2.939 -5.864 129 1HB SER 20 2HB SER 20 -0.798 -1.887 -8.081 130 2HB SER 20 3HB SER 20 -0.829 -3.492 -8.786 131 HG SER 20 HG SER 20 -3.103 -2.537 -7.404 132 H ARG 21 H ARG 21 0.275 -5.272 -7.781 133 HA ARG 21 HA ARG 21 -1.458 -7.454 -7.709 134 1HB ARG 21 2HB ARG 21 0.179 -8.333 -8.852 135 2HB ARG 21 3HB ARG 21 1.189 -6.956 -8.522 136 1HG ARG 21 2HG ARG 21 2.200 -8.054 -6.588 137 2HG ARG 21 3HG ARG 21 1.137 -9.446 -6.765 138 1HD ARG 21 2HD ARG 21 2.119 -9.928 -8.975 139 2HD ARG 21 3HD ARG 21 3.051 -8.412 -8.905 140 HE ARG 21 HE ARG 21 3.679 -10.012 -6.630 141 1HH1 ARG 21 2HH2 ARG 21 4.216 -9.886 -10.112 142 2HH1 ARG 21 1HH2 ARG 21 5.757 -10.681 -10.077 143 1HH2 ARG 21 2HH1 ARG 21 5.738 -11.083 -6.533 144 2HH2 ARG 21 1HH1 ARG 21 6.632 -11.386 -7.985 145 H VAL 22 H VAL 22 0.859 -6.428 -5.162 146 HA VAL 22 HA VAL 22 0.593 -8.753 -3.551 147 HB VAL 22 HB VAL 22 1.880 -6.071 -3.522 148 1HG1 VAL 22 1HG1 VAL 22 0.863 -5.545 -1.618 149 2HG1 VAL 22 2HG1 VAL 22 0.918 -7.187 -0.922 150 3HG1 VAL 22 3HG1 VAL 22 2.397 -6.245 -1.067 151 1HG2 VAL 22 1HG2 VAL 22 2.791 -8.763 -2.571 152 2HG2 VAL 22 2HG2 VAL 22 3.052 -8.020 -4.166 153 3HG2 VAL 22 3HG2 VAL 22 3.756 -7.267 -2.723 154 H LEU 23 H LEU 23 -0.854 -5.515 -3.414 155 HA LEU 23 HA LEU 23 -2.415 -5.969 -1.074 156 1HB LEU 23 2HB LEU 23 -2.063 -3.862 -3.084 157 2HB LEU 23 3HB LEU 23 -3.712 -3.933 -2.583 158 HG LEU 23 HG LEU 23 -1.340 -3.886 -0.658 159 1HD1 LEU 23 1HD1 LEU 23 -3.055 -1.568 -1.659 160 2HD1 LEU 23 2HD1 LEU 23 -1.730 -1.489 -0.484 161 3HD1 LEU 23 3HD1 LEU 23 -1.378 -1.881 -2.167 162 1HD2 LEU 23 1HD2 LEU 23 -4.247 -3.084 -0.298 163 2HD2 LEU 23 2HD2 LEU 23 -3.649 -4.679 0.177 164 3HD2 LEU 23 3HD2 LEU 23 -3.033 -3.232 0.993 165 H ASN 24 H ASN 24 -3.112 -6.144 -4.606 166 HA ASN 24 HA ASN 24 -5.841 -6.842 -4.477 167 1HB ASN 24 2HB ASN 24 -4.888 -6.335 -6.627 168 2HB ASN 24 3HB ASN 24 -3.662 -7.603 -6.456 169 1HD2 ASN 24 1HD2 ASN 24 -7.247 -7.563 -5.920 170 2HD2 ASN 24 2HD2 ASN 24 -7.532 -8.964 -6.928 171 H LYS 25 H LYS 25 -2.909 -8.963 -4.277 172 HA LYS 25 HA LYS 25 -4.386 -11.369 -4.125 173 1HB LYS 25 2HB LYS 25 -1.598 -10.482 -3.739 174 2HB LYS 25 3HB LYS 25 -2.074 -11.737 -2.622 175 1HG LYS 25 2HG LYS 25 -1.121 -12.673 -4.707 176 2HG LYS 25 3HG LYS 25 -2.794 -13.185 -4.499 177 1HD LYS 25 2HD LYS 25 -2.661 -10.669 -6.017 178 2HD LYS 25 3HD LYS 25 -1.599 -11.870 -6.743 179 1HE LYS 25 2HE LYS 25 -3.428 -13.454 -7.007 180 2HE LYS 25 3HE LYS 25 -4.532 -12.437 -6.073 181 1HZ LYS 25 1HZ LYS 25 -4.438 -10.779 -7.775 182 2HZ LYS 25 2HZ LYS 25 -3.373 -11.669 -8.666 183 3HZ LYS 25 3HZ LYS 25 -4.904 -12.213 -8.409 184 H LEU 26 H LEU 26 -3.738 -9.037 -1.558 185 HA LEU 26 HA LEU 26 -4.745 -10.635 0.629 186 1HB LEU 26 2HB LEU 26 -3.570 -8.778 1.247 187 2HB LEU 26 3HB LEU 26 -4.284 -7.724 0.082 188 HG LEU 26 HG LEU 26 -4.874 -6.955 2.155 189 1HD1 LEU 26 1HD1 LEU 26 -6.687 -6.923 0.385 190 2HD1 LEU 26 2HD1 LEU 26 -7.495 -8.205 1.325 191 3HD1 LEU 26 3HD1 LEU 26 -7.133 -6.682 2.103 192 1HD2 LEU 26 1HD2 LEU 26 -6.244 -8.160 3.731 193 2HD2 LEU 26 2HD2 LEU 26 -6.164 -9.640 2.731 194 3HD2 LEU 26 3HD2 LEU 26 -4.680 -9.004 3.491 195 H GLY 27 H GLY 27 -6.326 -8.362 -1.687 196 1HA GLY 27 2HA GLY 27 -8.243 -9.501 -2.799 197 2HA GLY 27 3HA GLY 27 -8.910 -9.832 -1.212 198 H GLY 28 H GLY 28 -9.872 -8.119 0.059 199 1HA GLY 28 2HA GLY 28 -11.479 -6.673 -1.868 200 2HA GLY 28 3HA GLY 28 -11.777 -6.889 -0.141 201 H VAL 29 H VAL 29 -8.968 -5.437 -1.736 202 HA VAL 29 HA VAL 29 -9.246 -3.068 0.067 203 HB VAL 29 HB VAL 29 -6.816 -2.710 -0.631 204 1HG1 VAL 29 1HG1 VAL 29 -7.257 -3.536 1.546 205 2HG1 VAL 29 2HG1 VAL 29 -7.822 -5.086 0.921 206 3HG1 VAL 29 3HG1 VAL 29 -6.089 -4.703 0.882 207 1HG2 VAL 29 1HG2 VAL 29 -6.939 -4.269 -2.666 208 2HG2 VAL 29 2HG2 VAL 29 -5.589 -4.538 -1.553 209 3HG2 VAL 29 3HG2 VAL 29 -6.971 -5.626 -1.530 210 H LYS 30 H LYS 30 -8.992 -0.909 -0.710 211 HA LYS 30 HA LYS 30 -8.579 -0.554 -3.524 212 1HB LYS 30 2HB LYS 30 -11.204 0.110 -2.267 213 2HB LYS 30 3HB LYS 30 -10.460 1.451 -3.146 214 1HG LYS 30 2HG LYS 30 -10.804 -1.329 -4.309 215 2HG LYS 30 3HG LYS 30 -11.965 -0.024 -4.548 216 1HD LYS 30 2HD LYS 30 -10.648 1.132 -6.017 217 2HD LYS 30 3HD LYS 30 -9.132 0.736 -5.217 218 1HE LYS 30 2HE LYS 30 -9.210 -1.574 -6.094 219 2HE LYS 30 3HE LYS 30 -10.728 -1.208 -6.938 220 1HZ LYS 30 1HZ LYS 30 -8.133 0.118 -7.424 221 2HZ LYS 30 2HZ LYS 30 -8.829 -1.019 -8.386 222 3HZ LYS 30 3HZ LYS 30 -9.538 0.453 -8.213 223 H TYR 31 H TYR 31 -7.478 1.302 -3.946 224 HA TYR 31 HA TYR 31 -6.601 2.953 -1.788 225 1HB TYR 31 2HB TYR 31 -4.194 2.104 -2.119 226 2HB TYR 31 3HB TYR 31 -5.280 1.021 -1.269 227 HD1 TYR 31 HD1 TYR 31 -2.976 1.195 -3.978 228 HD2 TYR 31 HD2 TYR 31 -6.305 -0.989 -2.357 229 HE1 TYR 31 HE1 TYR 31 -2.433 -0.745 -5.425 230 HE2 TYR 31 HE2 TYR 31 -5.972 -2.764 -4.042 231 HH TYR 31 HH TYR 31 -4.555 -3.601 -5.678 232 H ASP 32 H ASP 32 -5.130 4.570 -2.561 233 HA ASP 32 HA ASP 32 -5.155 4.954 -5.526 234 1HB ASP 32 2HB ASP 32 -6.217 6.833 -4.292 235 2HB ASP 32 3HB ASP 32 -4.729 7.040 -3.352 236 H ILE 33 H ILE 33 -3.081 5.751 -6.354 237 HA ILE 33 HA ILE 33 -0.704 4.556 -5.010 238 HB ILE 33 HB ILE 33 -1.913 4.028 -7.752 239 1HG1 ILE 33 2HG1 ILE 33 -1.178 2.034 -5.574 240 2HG1 ILE 33 3HG1 ILE 33 -2.811 2.721 -5.734 241 1HG2 ILE 33 1HG2 ILE 33 0.040 2.530 -8.106 242 2HG2 ILE 33 2HG2 ILE 33 0.482 4.233 -7.998 243 3HG2 ILE 33 3HG2 ILE 33 0.760 3.167 -6.601 244 1HD1 ILE 33 1HD1 ILE 33 -2.795 1.968 -8.194 245 2HD1 ILE 33 2HD1 ILE 33 -1.516 0.841 -7.682 246 3HD1 ILE 33 3HD1 ILE 33 -3.133 0.800 -6.939 247 H ASP 34 H ASP 34 0.176 6.622 -4.701 248 HA ASP 34 HA ASP 34 0.291 8.447 -7.085 249 1HB ASP 34 2HB ASP 34 -0.436 9.452 -4.950 250 2HB ASP 34 3HB ASP 34 1.151 8.999 -4.281 251 H LEU 35 H LEU 35 1.845 7.687 -8.369 252 HA LEU 35 HA LEU 35 4.228 6.450 -7.453 253 1HB LEU 35 2HB LEU 35 2.767 6.635 -9.841 254 2HB LEU 35 3HB LEU 35 4.263 7.493 -10.208 255 HG LEU 35 HG LEU 35 4.235 4.755 -8.842 256 1HD1 LEU 35 1HD1 LEU 35 2.923 4.602 -10.898 257 2HD1 LEU 35 2HD1 LEU 35 4.289 5.258 -11.832 258 3HD1 LEU 35 3HD1 LEU 35 4.443 3.684 -11.005 259 1HD2 LEU 35 1HD2 LEU 35 6.514 4.630 -9.792 260 2HD2 LEU 35 2HD2 LEU 35 6.282 6.213 -10.573 261 3HD2 LEU 35 3HD2 LEU 35 6.321 6.094 -8.803 262 HA PRO 36 HA PRO 36 6.429 10.601 -8.653 263 1HB PRO 36 2HB PRO 36 4.826 12.892 -8.118 264 2HB PRO 36 3HB PRO 36 5.395 12.298 -9.694 265 1HG PRO 36 2HG PRO 36 2.746 11.892 -8.371 266 2HG PRO 36 3HG PRO 36 3.098 12.061 -10.106 267 1HD PRO 36 2HD PRO 36 2.527 9.674 -8.996 268 2HD PRO 36 3HD PRO 36 3.736 9.802 -10.297 269 H ASN 37 H ASN 37 3.882 10.593 -6.128 270 HA ASN 37 HA ASN 37 5.730 11.738 -4.111 271 1HB ASN 37 2HB ASN 37 2.905 10.635 -3.909 272 2HB ASN 37 3HB ASN 37 3.911 10.969 -2.532 273 1HD2 ASN 37 1HD2 ASN 37 2.126 12.619 -5.104 274 2HD2 ASN 37 2HD2 ASN 37 2.451 14.234 -4.511 275 H LYS 38 H LYS 38 4.998 8.550 -5.334 276 HA LYS 38 HA LYS 38 5.397 6.504 -4.744 277 1HB LYS 38 2HB LYS 38 7.600 7.589 -2.965 278 2HB LYS 38 3HB LYS 38 7.322 5.926 -3.476 279 1HG LYS 38 2HG LYS 38 9.109 6.637 -4.776 280 2HG LYS 38 3HG LYS 38 7.690 6.527 -5.829 281 1HD LYS 38 2HD LYS 38 9.035 8.408 -6.434 282 2HD LYS 38 3HD LYS 38 7.498 8.965 -5.803 283 1HE LYS 38 2HE LYS 38 8.575 9.481 -3.604 284 2HE LYS 38 3HE LYS 38 10.139 9.021 -4.298 285 1HZ LYS 38 1HZ LYS 38 9.618 11.424 -4.378 286 2HZ LYS 38 2HZ LYS 38 9.883 10.790 -5.879 287 3HZ LYS 38 3HZ LYS 38 8.351 11.107 -5.394 288 H LYS 39 H LYS 39 3.137 6.779 -3.758 289 HA LYS 39 HA LYS 39 3.174 6.056 -0.925 290 1HB LYS 39 2HB LYS 39 1.723 8.439 -2.183 291 2HB LYS 39 3HB LYS 39 1.275 7.741 -0.637 292 1HG LYS 39 2HG LYS 39 3.432 8.366 0.339 293 2HG LYS 39 3HG LYS 39 4.005 8.939 -1.235 294 1HD LYS 39 2HD LYS 39 2.106 10.599 -1.260 295 2HD LYS 39 3HD LYS 39 1.704 10.115 0.387 296 1HE LYS 39 2HE LYS 39 3.721 10.972 1.295 297 2HE LYS 39 3HE LYS 39 4.557 10.987 -0.260 298 1HZ LYS 39 1HZ LYS 39 2.320 12.796 0.359 299 2HZ LYS 39 2HZ LYS 39 3.912 13.181 0.521 300 3HZ LYS 39 3HZ LYS 39 3.315 12.851 -0.960 301 H VAL 40 H VAL 40 1.282 5.033 -0.261 302 HA VAL 40 HA VAL 40 -0.649 4.248 -2.359 303 HB VAL 40 HB VAL 40 0.314 2.498 -0.060 304 1HG1 VAL 40 1HG1 VAL 40 -1.988 2.151 -0.967 305 2HG1 VAL 40 2HG1 VAL 40 -1.290 1.899 -2.575 306 3HG1 VAL 40 3HG1 VAL 40 -0.926 0.756 -1.260 307 1HG2 VAL 40 1HG2 VAL 40 2.167 2.768 -1.652 308 2HG2 VAL 40 2HG2 VAL 40 1.483 1.146 -1.676 309 3HG2 VAL 40 3HG2 VAL 40 1.079 2.298 -2.989 310 H CYS 41 H CYS 41 -2.664 4.963 -1.671 311 HA CYS 41 HA CYS 41 -3.046 5.553 1.251 312 1HB CYS 41 2HB CYS 41 -4.372 6.840 -1.132 313 2HB CYS 41 3HB CYS 41 -4.582 7.282 0.521 314 HG CYS 41 HG CYS 41 -3.218 9.056 -0.955 315 H ILE 42 H ILE 42 -4.034 3.776 2.093 316 HA ILE 42 HA ILE 42 -5.910 2.419 0.288 317 HB ILE 42 HB ILE 42 -4.741 1.288 2.855 318 1HG1 ILE 42 2HG1 ILE 42 -3.555 1.000 0.077 319 2HG1 ILE 42 3HG1 ILE 42 -2.871 1.949 1.410 320 1HG2 ILE 42 1HG2 ILE 42 -6.174 0.109 0.425 321 2HG2 ILE 42 2HG2 ILE 42 -5.297 -0.909 1.537 322 3HG2 ILE 42 3HG2 ILE 42 -6.658 0.055 2.113 323 1HD1 ILE 42 1HD1 ILE 42 -1.657 -0.061 1.136 324 2HD1 ILE 42 2HD1 ILE 42 -2.411 -0.031 2.708 325 3HD1 ILE 42 3HD1 ILE 42 -3.079 -1.051 1.410 326 H GLU 43 H GLU 43 -8.027 1.882 0.922 327 HA GLU 43 HA GLU 43 -8.939 2.921 3.544 328 1HB GLU 43 2HB GLU 43 -8.878 4.695 1.705 329 2HB GLU 43 3HB GLU 43 -10.232 3.859 0.944 330 1HG GLU 43 2HG GLU 43 -11.670 4.329 2.809 331 2HG GLU 43 3HG GLU 43 -10.317 4.719 3.872 332 H SER 44 H SER 44 -9.553 0.931 4.283 333 HA SER 44 HA SER 44 -11.890 -0.285 3.098 334 1HB SER 44 2HB SER 44 -10.291 -1.417 1.676 335 2HB SER 44 3HB SER 44 -9.215 -1.738 3.051 336 HG SER 44 HG SER 44 -11.870 -2.794 2.825 337 H GLU 45 H GLU 45 -12.751 -1.833 4.418 338 HA GLU 45 HA GLU 45 -12.667 -1.747 7.215 339 1HB GLU 45 2HB GLU 45 -13.336 -4.254 5.626 340 2HB GLU 45 3HB GLU 45 -14.095 -3.604 7.078 341 1HG GLU 45 2HG GLU 45 -15.714 -3.116 5.540 342 2HG GLU 45 3HG GLU 45 -14.803 -1.620 5.376 343 H HIS 46 H HIS 46 -10.700 -3.497 4.809 344 HA HIS 46 HA HIS 46 -9.405 -5.371 6.558 345 1HB HIS 46 2HB HIS 46 -8.550 -4.004 3.986 346 2HB HIS 46 3HB HIS 46 -7.532 -5.153 4.854 347 HD1 HIS 46 1HD HIS 46 -8.534 -7.707 5.110 348 HD2 HIS 46 2HD HIS 46 -10.057 -5.129 2.170 349 HE1 HIS 46 1HE HIS 46 -9.462 -9.184 3.255 350 H SER 47 H SER 47 -9.033 -4.325 8.477 351 HA SER 47 HA SER 47 -7.917 -1.998 9.176 352 1HB SER 47 2HB SER 47 -8.695 -3.860 10.694 353 2HB SER 47 3HB SER 47 -7.074 -4.571 10.514 354 HG SER 47 HG SER 47 -7.743 -2.016 11.573 355 H MET 48 H MET 48 -6.115 -0.950 9.386 356 HA MET 48 HA MET 48 -3.994 -0.991 7.825 357 1HB MET 48 2HB MET 48 -2.794 0.382 9.357 358 2HB MET 48 3HB MET 48 -4.514 0.759 9.501 359 1HG MET 48 2HG MET 48 -4.559 -0.914 11.424 360 2HG MET 48 3HG MET 48 -2.779 -0.852 11.374 361 1HE MET 48 1HE MET 48 -4.572 -0.338 13.940 362 2HE MET 48 2HE MET 48 -2.795 -0.332 13.926 363 3HE MET 48 3HE MET 48 -3.683 1.031 14.654 364 H ASP 49 H ASP 49 -4.202 -3.014 10.764 365 HA ASP 49 HA ASP 49 -1.470 -3.853 10.755 366 1HB ASP 49 2HB ASP 49 -3.961 -5.244 11.844 367 2HB ASP 49 3HB ASP 49 -2.285 -5.657 12.242 368 H THR 50 H THR 50 -4.389 -5.225 9.286 369 HA THR 50 HA THR 50 -3.126 -7.611 8.196 370 HB THR 50 HB THR 50 -5.712 -6.170 7.425 371 HG1 THR 50 1HG THR 50 -5.347 -7.071 9.666 372 1HG2 THR 50 1HG2 THR 50 -6.376 -8.377 6.540 373 2HG2 THR 50 2HG2 THR 50 -4.947 -7.752 5.689 374 3HG2 THR 50 3HG2 THR 50 -4.766 -9.023 6.920 375 H LEU 51 H LEU 51 -3.968 -4.298 7.075 376 HA LEU 51 HA LEU 51 -2.916 -4.591 4.440 377 1HB LEU 51 2HB LEU 51 -2.894 -2.096 6.171 378 2HB LEU 51 3HB LEU 51 -2.506 -2.192 4.467 379 HG LEU 51 HG LEU 51 -5.159 -2.456 5.875 380 1HD1 LEU 51 1HD1 LEU 51 -5.784 -0.832 4.109 381 2HD1 LEU 51 2HD1 LEU 51 -4.293 -0.306 4.928 382 3HD1 LEU 51 3HD1 LEU 51 -4.190 -1.102 3.352 383 1HD2 LEU 51 1HD2 LEU 51 -5.221 -4.464 4.449 384 2HD2 LEU 51 2HD2 LEU 51 -6.217 -3.198 3.730 385 3HD2 LEU 51 3HD2 LEU 51 -4.609 -3.529 3.061 386 H LEU 52 H LEU 52 -1.229 -3.680 7.512 387 HA LEU 52 HA LEU 52 1.212 -3.035 6.319 388 1HB LEU 52 2HB LEU 52 0.294 -3.784 9.038 389 2HB LEU 52 3HB LEU 52 1.897 -4.382 8.639 390 HG LEU 52 HG LEU 52 2.349 -1.889 7.869 391 1HD1 LEU 52 1HD1 LEU 52 -0.038 -1.151 8.249 392 2HD1 LEU 52 2HD1 LEU 52 0.137 -1.549 9.964 393 3HD1 LEU 52 3HD1 LEU 52 1.119 -0.255 9.250 394 1HD2 LEU 52 1HD2 LEU 52 2.159 -2.802 10.751 395 2HD2 LEU 52 2HD2 LEU 52 3.518 -3.063 9.630 396 3HD2 LEU 52 3HD2 LEU 52 3.118 -1.417 10.164 397 H ALA 53 H ALA 53 0.155 -6.168 7.762 398 HA ALA 53 HA ALA 53 2.368 -7.725 7.020 399 1HB ALA 53 1HB ALA 53 -0.568 -8.570 7.152 400 2HB ALA 53 2HB ALA 53 0.834 -9.659 7.209 401 3HB ALA 53 3HB ALA 53 0.561 -8.497 8.522 402 H THR 54 H THR 54 -0.598 -7.046 5.104 403 HA THR 54 HA THR 54 0.091 -8.523 2.811 404 HB THR 54 HB THR 54 -1.510 -5.945 3.146 405 HG1 THR 54 1HG THR 54 -2.372 -7.585 4.337 406 1HG2 THR 54 1HG2 THR 54 -0.919 -6.222 0.807 407 2HG2 THR 54 2HG2 THR 54 -1.499 -7.906 0.851 408 3HG2 THR 54 3HG2 THR 54 -2.625 -6.551 1.125 409 H LEU 55 H LEU 55 0.749 -5.041 3.550 410 HA LEU 55 HA LEU 55 1.788 -4.579 0.889 411 1HB LEU 55 2HB LEU 55 1.089 -3.074 3.300 412 2HB LEU 55 3HB LEU 55 2.540 -2.439 2.539 413 HG LEU 55 HG LEU 55 -0.274 -2.562 1.471 414 1HD1 LEU 55 1HD1 LEU 55 0.404 0.002 1.372 415 2HD1 LEU 55 2HD1 LEU 55 0.041 -0.741 2.952 416 3HD1 LEU 55 3HD1 LEU 55 1.704 -0.441 2.436 417 1HD2 LEU 55 1HD2 LEU 55 1.104 -3.008 -0.465 418 2HD2 LEU 55 2HD2 LEU 55 0.610 -1.313 -0.479 419 3HD2 LEU 55 3HD2 LEU 55 2.269 -1.738 0.014 420 H LYS 56 H LYS 56 3.169 -5.410 4.055 421 HA LYS 56 HA LYS 56 5.900 -5.014 3.471 422 1HB LYS 56 2HB LYS 56 4.293 -6.718 5.363 423 2HB LYS 56 3HB LYS 56 5.950 -7.197 5.060 424 1HG LYS 56 2HG LYS 56 5.960 -5.824 6.933 425 2HG LYS 56 3HG LYS 56 6.772 -4.949 5.633 426 1HD LYS 56 2HD LYS 56 4.343 -3.812 5.363 427 2HD LYS 56 3HD LYS 56 4.086 -4.486 6.972 428 1HE LYS 56 2HE LYS 56 4.729 -2.195 7.202 429 2HE LYS 56 3HE LYS 56 6.062 -3.182 7.818 430 1HZ LYS 56 1HZ LYS 56 5.963 -2.146 5.069 431 2HZ LYS 56 2HZ LYS 56 6.608 -1.241 6.225 432 3HZ LYS 56 3HZ LYS 56 7.289 -2.701 5.866 433 H LYS 57 H LYS 57 3.692 -7.457 2.158 434 HA LYS 57 HA LYS 57 5.623 -9.344 1.282 435 1HB LYS 57 2HB LYS 57 3.114 -8.438 -0.145 436 2HB LYS 57 3HB LYS 57 4.053 -9.876 -0.550 437 1HG LYS 57 2HG LYS 57 3.622 -10.837 1.687 438 2HG LYS 57 3HG LYS 57 2.621 -9.461 2.111 439 1HD LYS 57 2HD LYS 57 2.094 -11.560 -0.039 440 2HD LYS 57 3HD LYS 57 1.190 -11.283 1.461 441 1HE LYS 57 2HE LYS 57 0.610 -8.960 0.539 442 2HE LYS 57 3HE LYS 57 1.307 -9.482 -1.003 443 1HZ LYS 57 1HZ LYS 57 -1.054 -10.609 0.323 444 2HZ LYS 57 2HZ LYS 57 -0.998 -9.679 -1.040 445 3HZ LYS 57 3HZ LYS 57 -0.377 -11.207 -1.058 446 H THR 58 H THR 58 5.093 -6.041 0.123 447 HA THR 58 HA THR 58 6.485 -6.324 -2.447 448 HB THR 58 HB THR 58 6.462 -3.996 -2.510 449 HG1 THR 58 1HG THR 58 5.589 -3.890 0.197 450 1HG2 THR 58 1HG2 THR 58 3.942 -4.816 -1.098 451 2HG2 THR 58 2HG2 THR 58 4.181 -3.388 -2.081 452 3HG2 THR 58 3HG2 THR 58 4.306 -5.001 -2.828 453 H GLY 59 H GLY 59 7.467 -6.031 0.895 454 1HA GLY 59 2HA GLY 59 9.355 -5.656 1.929 455 2HA GLY 59 3HA GLY 59 10.161 -6.605 0.653 456 H LYS 60 H LYS 60 8.503 -3.473 0.274 457 HA LYS 60 HA LYS 60 11.005 -2.180 -0.687 458 1HB LYS 60 2HB LYS 60 8.171 -1.142 -0.471 459 2HB LYS 60 3HB LYS 60 9.446 -0.389 -1.397 460 1HG LYS 60 2HG LYS 60 8.245 -3.111 -1.974 461 2HG LYS 60 3HG LYS 60 7.838 -1.624 -2.834 462 1HD LYS 60 2HD LYS 60 10.393 -3.267 -2.886 463 2HD LYS 60 3HD LYS 60 9.268 -2.912 -4.203 464 1HE LYS 60 2HE LYS 60 9.830 -0.387 -3.736 465 2HE LYS 60 3HE LYS 60 11.204 -0.981 -2.792 466 1HZ LYS 60 1HZ LYS 60 10.737 -1.225 -5.682 467 2HZ LYS 60 2HZ LYS 60 11.850 -0.347 -4.852 468 3HZ LYS 60 3HZ LYS 60 11.990 -1.998 -4.884 469 H THR 61 H THR 61 10.999 0.304 0.028 470 HA THR 61 HA THR 61 11.141 0.575 2.817 471 HB THR 61 HB THR 61 10.895 2.839 0.905 472 HG1 THR 61 1HG THR 61 13.012 2.401 0.192 473 1HG2 THR 61 1HG2 THR 61 12.890 2.255 3.143 474 2HG2 THR 61 2HG2 THR 61 12.793 3.757 2.201 475 3HG2 THR 61 3HG2 THR 61 11.466 3.311 3.290 476 H VAL 62 H VAL 62 8.647 -0.430 2.587 477 HA VAL 62 HA VAL 62 6.651 1.690 2.326 478 HB VAL 62 HB VAL 62 5.932 -0.141 1.282 479 1HG1 VAL 62 1HG1 VAL 62 5.741 -2.431 2.474 480 2HG1 VAL 62 2HG1 VAL 62 7.268 -1.939 1.731 481 3HG1 VAL 62 3HG1 VAL 62 7.078 -1.817 3.482 482 1HG2 VAL 62 1HG2 VAL 62 4.557 -0.572 3.944 483 2HG2 VAL 62 2HG2 VAL 62 4.283 0.855 2.922 484 3HG2 VAL 62 3HG2 VAL 62 3.943 -0.759 2.289 485 H SER 63 H SER 63 6.709 3.095 3.859 486 HA SER 63 HA SER 63 6.618 2.307 6.730 487 1HB SER 63 2HB SER 63 8.288 4.063 5.920 488 2HB SER 63 3HB SER 63 6.894 5.085 5.523 489 HG SER 63 HG SER 63 7.763 4.150 8.053 490 H TYR 64 H TYR 64 4.964 3.420 8.006 491 HA TYR 64 HA TYR 64 2.320 3.421 6.614 492 1HB TYR 64 2HB TYR 64 2.493 1.580 8.091 493 2HB TYR 64 3HB TYR 64 3.315 2.527 9.323 494 HD1 TYR 64 HD1 TYR 64 2.142 3.540 11.087 495 HD2 TYR 64 HD2 TYR 64 -0.017 2.241 7.590 496 HE1 TYR 64 HE1 TYR 64 -0.003 4.042 12.217 497 HE2 TYR 64 HE2 TYR 64 -2.153 2.698 8.739 498 HH TYR 64 HH TYR 64 -3.112 3.803 10.518 499 H LEU 65 H LEU 65 0.975 5.153 6.897 500 HA LEU 65 HA LEU 65 1.876 7.479 8.535 501 1HB LEU 65 2HB LEU 65 0.242 7.402 6.003 502 2HB LEU 65 3HB LEU 65 0.344 8.768 7.111 503 HG LEU 65 HG LEU 65 2.986 8.398 6.882 504 1HD1 LEU 65 1HD1 LEU 65 2.903 6.417 5.465 505 2HD1 LEU 65 2HD1 LEU 65 1.938 7.299 4.252 506 3HD1 LEU 65 3HD1 LEU 65 3.615 7.782 4.612 507 1HD2 LEU 65 1HD2 LEU 65 2.971 10.071 5.090 508 2HD2 LEU 65 2HD2 LEU 65 1.239 9.749 4.807 509 3HD2 LEU 65 3HD2 LEU 65 1.784 10.419 6.367 510 H GLY 66 H GLY 66 -0.136 8.703 9.372 511 1HA GLY 66 2HA GLY 66 -1.197 7.080 11.335 512 2HA GLY 66 3HA GLY 66 -1.811 8.688 10.923 513 H LEU 67 H LEU 67 -3.382 6.652 11.975 514 HA LEU 67 HA LEU 67 -5.084 5.484 9.911 515 1HB LEU 67 2HB LEU 67 -4.530 4.674 12.362 516 2HB LEU 67 3HB LEU 67 -5.760 5.829 12.859 517 HG LEU 67 HG LEU 67 -6.056 3.416 11.037 518 1HD1 LEU 67 1HD1 LEU 67 -7.447 2.516 12.838 519 2HD1 LEU 67 2HD1 LEU 67 -5.846 2.948 13.464 520 3HD1 LEU 67 3HD1 LEU 67 -7.237 4.009 13.779 521 1HD2 LEU 67 1HD2 LEU 67 -7.675 4.964 10.166 522 2HD2 LEU 67 2HD2 LEU 67 -8.571 3.905 11.248 523 3HD2 LEU 67 3HD2 LEU 67 -8.124 5.531 11.793 524 H GLU 68 H GLU 68 -6.833 6.626 9.009 525 HA GLU 68 HA GLU 68 -7.770 9.125 10.352 526 1HB GLU 68 2HB GLU 68 -6.168 9.585 8.487 527 2HB GLU 68 3HB GLU 68 -7.245 8.749 7.381 528 1HG GLU 68 2HG GLU 68 -7.622 11.095 7.125 529 2HG GLU 68 3HG GLU 68 -9.035 10.473 7.985 Start of MODEL 8 1 1H MET 1 H1 MET 1 -12.038 6.598 6.895 2 2H MET 1 H2 MET 1 -11.482 7.724 8.048 3 3H MET 1 H3 MET 1 -10.541 6.584 7.628 4 HA MET 1 HA MET 1 -11.775 6.484 9.786 5 1HB MET 1 2HB MET 1 -13.733 5.192 7.869 6 2HB MET 1 3HB MET 1 -13.588 4.695 9.571 7 1HG MET 1 2HG MET 1 -14.074 6.975 10.312 8 2HG MET 1 3HG MET 1 -14.096 7.546 8.639 9 1HE MET 1 1HE MET 1 -15.906 5.334 11.327 10 2HE MET 1 2HE MET 1 -17.367 4.825 10.448 11 3HE MET 1 3HE MET 1 -15.788 4.164 9.985 12 HA PRO 2 HA PRO 2 -9.155 2.812 8.836 13 1HB PRO 2 2HB PRO 2 -9.654 0.858 7.116 14 2HB PRO 2 3HB PRO 2 -10.753 1.077 8.504 15 1HG PRO 2 2HG PRO 2 -11.156 2.086 5.665 16 2HG PRO 2 3HG PRO 2 -12.300 1.163 6.675 17 1HD PRO 2 2HD PRO 2 -12.306 3.913 6.467 18 2HD PRO 2 3HD PRO 2 -12.865 3.024 7.918 19 H LYS 3 H LYS 3 -8.841 5.346 7.497 20 HA LYS 3 HA LYS 3 -8.007 4.769 4.742 21 1HB LYS 3 2HB LYS 3 -9.230 6.924 5.575 22 2HB LYS 3 3HB LYS 3 -7.636 7.401 6.156 23 1HG LYS 3 2HG LYS 3 -7.213 6.501 3.481 24 2HG LYS 3 3HG LYS 3 -8.773 7.320 3.461 25 1HD LYS 3 2HD LYS 3 -7.287 9.010 2.939 26 2HD LYS 3 3HD LYS 3 -7.618 9.291 4.656 27 1HE LYS 3 2HE LYS 3 -5.468 8.088 5.224 28 2HE LYS 3 3HE LYS 3 -5.197 7.806 3.492 29 1HZ LYS 3 1HZ LYS 3 -5.131 10.362 4.927 30 2HZ LYS 3 2HZ LYS 3 -3.947 9.650 4.005 31 3HZ LYS 3 3HZ LYS 3 -5.248 10.291 3.288 32 H HIS 4 H HIS 4 -6.320 3.446 4.936 33 HA HIS 4 HA HIS 4 -4.177 3.958 6.939 34 1HB HIS 4 2HB HIS 4 -4.941 1.543 5.265 35 2HB HIS 4 3HB HIS 4 -3.612 1.574 6.433 36 HD1 HIS 4 1HD HIS 4 -6.534 -0.174 6.582 37 HD2 HIS 4 2HD HIS 4 -5.291 3.215 8.768 38 HE1 HIS 4 1HE HIS 4 -7.891 -0.123 8.736 39 H GLU 5 H GLU 5 -2.682 5.307 6.175 40 HA GLU 5 HA GLU 5 -2.031 5.271 3.283 41 1HB GLU 5 2HB GLU 5 -2.847 7.336 4.365 42 2HB GLU 5 3HB GLU 5 -1.428 7.345 5.415 43 1HG GLU 5 2HG GLU 5 0.059 7.716 3.555 44 2HG GLU 5 3HG GLU 5 -1.189 7.291 2.376 45 H PHE 6 H PHE 6 0.059 5.065 2.560 46 HA PHE 6 HA PHE 6 2.175 4.421 4.520 47 1HB PHE 6 2HB PHE 6 1.521 2.752 2.062 48 2HB PHE 6 3HB PHE 6 2.845 2.475 3.185 49 HD1 PHE 6 1HD PHE 6 -0.913 2.532 2.916 50 HD2 PHE 6 2HD PHE 6 2.499 1.056 5.122 51 HE1 PHE 6 1HE PHE 6 -2.396 1.139 4.298 52 HE2 PHE 6 2HE PHE 6 1.023 -0.460 6.352 53 HZ PHE 6 HZ PHE 6 -1.446 -0.374 6.022 54 H SER 7 H SER 7 4.098 5.237 3.958 55 HA SER 7 HA SER 7 4.465 6.630 1.352 56 1HB SER 7 2HB SER 7 5.173 7.860 3.285 57 2HB SER 7 3HB SER 7 6.147 6.505 3.884 58 HG SER 7 HG SER 7 7.388 8.089 2.722 59 H VAL 8 H VAL 8 5.703 5.620 -0.229 60 HA VAL 8 HA VAL 8 6.925 2.974 0.359 61 HB VAL 8 HB VAL 8 4.732 3.398 -1.728 62 1HG1 VAL 8 1HG1 VAL 8 6.308 0.920 -0.902 63 2HG1 VAL 8 2HG1 VAL 8 4.899 0.908 -1.976 64 3HG1 VAL 8 3HG1 VAL 8 6.371 1.736 -2.480 65 1HG2 VAL 8 1HG2 VAL 8 3.629 3.308 0.405 66 2HG2 VAL 8 2HG2 VAL 8 3.465 1.704 -0.316 67 3HG2 VAL 8 3HG2 VAL 8 4.664 1.976 0.953 68 H ASP 9 H ASP 9 8.631 2.530 -0.982 69 HA ASP 9 HA ASP 9 9.702 4.611 -2.663 70 1HB ASP 9 2HB ASP 9 11.249 3.265 -1.508 71 2HB ASP 9 3HB ASP 9 10.518 1.759 -2.072 72 H MET 10 H MET 10 7.677 4.827 -3.960 73 HA MET 10 HA MET 10 7.258 2.856 -6.094 74 1HB MET 10 2HB MET 10 6.164 5.676 -5.774 75 2HB MET 10 3HB MET 10 5.761 4.520 -7.041 76 1HG MET 10 2HG MET 10 5.308 3.954 -4.098 77 2HG MET 10 3HG MET 10 4.107 4.644 -5.208 78 1HE MET 10 1HE MET 10 3.400 2.070 -3.592 79 2HE MET 10 2HE MET 10 2.384 2.958 -4.759 80 3HE MET 10 3HE MET 10 2.556 1.196 -4.896 81 H THR 11 H THR 11 9.659 2.879 -6.442 82 HA THR 11 HA THR 11 10.871 5.216 -7.604 83 HB THR 11 HB THR 11 11.710 2.466 -6.879 84 HG1 THR 11 1HG THR 11 12.406 4.113 -5.646 85 1HG2 THR 11 1HG2 THR 11 12.368 2.277 -9.229 86 2HG2 THR 11 2HG2 THR 11 13.161 3.877 -9.146 87 3HG2 THR 11 3HG2 THR 11 13.776 2.519 -8.185 88 H CYS 12 HN CYS 12 9.242 2.371 -9.060 89 HA CYS 12 HA CYS 12 9.050 3.919 -11.538 90 1HB CYS 12 2HB CYS 12 9.846 2.132 -12.958 91 2HB CYS 12 3HB CYS 12 11.108 2.521 -11.796 92 H GLY 13 H GLY 13 7.497 2.815 -13.007 93 1HA GLY 13 2HA GLY 13 4.992 2.244 -11.942 94 2HA GLY 13 3HA GLY 13 5.575 1.690 -13.517 95 H GLY 14 H GLY 14 7.761 0.059 -12.428 96 1HA GLY 14 2HA GLY 14 6.421 -2.391 -12.098 97 2HA GLY 14 3HA GLY 14 8.147 -2.073 -11.791 98 H CYS 15 HN CYS 15 7.716 -0.079 -9.668 99 HA CYS 15 HA CYS 15 7.428 -1.869 -7.402 100 1HB CYS 15 2HB CYS 15 7.440 1.160 -7.604 101 2HB CYS 15 3HB CYS 15 7.474 0.247 -6.096 102 H ALA 16 H ALA 16 5.396 0.629 -8.962 103 HA ALA 16 HA ALA 16 3.141 0.369 -7.239 104 1HB ALA 16 1HB ALA 16 1.865 1.392 -9.073 105 2HB ALA 16 2HB ALA 16 3.397 2.230 -8.751 106 3HB ALA 16 3HB ALA 16 3.236 1.171 -10.170 107 H GLU 17 H GLU 17 3.873 -1.331 -10.351 108 HA GLU 17 HA GLU 17 1.629 -2.940 -10.493 109 1HB GLU 17 2HB GLU 17 3.392 -2.557 -12.172 110 2HB GLU 17 3HB GLU 17 4.539 -3.508 -11.221 111 1HG GLU 17 2HG GLU 17 1.932 -4.662 -12.285 112 2HG GLU 17 3HG GLU 17 3.472 -4.554 -13.164 113 H ALA 18 H ALA 18 4.801 -3.696 -8.892 114 HA ALA 18 HA ALA 18 4.012 -6.192 -7.851 115 1HB ALA 18 1HB ALA 18 6.357 -5.366 -7.889 116 2HB ALA 18 2HB ALA 18 5.946 -4.167 -6.639 117 3HB ALA 18 3HB ALA 18 5.881 -5.898 -6.257 118 H VAL 19 H VAL 19 3.811 -2.946 -6.260 119 HA VAL 19 HA VAL 19 2.713 -3.833 -3.827 120 HB VAL 19 HB VAL 19 2.472 -1.257 -5.432 121 1HG1 VAL 19 1HG1 VAL 19 1.499 -2.049 -2.701 122 2HG1 VAL 19 2HG1 VAL 19 1.788 -0.335 -3.139 123 3HG1 VAL 19 3HG1 VAL 19 0.577 -1.276 -4.025 124 1HG2 VAL 19 1HG2 VAL 19 4.762 -2.098 -4.336 125 2HG2 VAL 19 2HG2 VAL 19 4.245 -0.416 -4.185 126 3HG2 VAL 19 3HG2 VAL 19 4.000 -1.527 -2.843 127 H SER 20 H SER 20 1.152 -2.832 -6.850 128 HA SER 20 HA SER 20 -1.513 -3.066 -5.990 129 1HB SER 20 2HB SER 20 -0.544 -2.052 -8.169 130 2HB SER 20 3HB SER 20 -0.507 -3.672 -8.832 131 HG SER 20 HG SER 20 -2.443 -2.527 -9.338 132 H ARG 21 H ARG 21 0.550 -5.414 -7.687 133 HA ARG 21 HA ARG 21 -1.201 -7.577 -7.725 134 1HB ARG 21 2HB ARG 21 0.465 -8.463 -8.787 135 2HB ARG 21 3HB ARG 21 1.489 -7.110 -8.428 136 1HG ARG 21 2HG ARG 21 2.484 -8.192 -6.533 137 2HG ARG 21 3HG ARG 21 1.322 -9.512 -6.566 138 1HD ARG 21 2HD ARG 21 2.600 -10.670 -7.970 139 2HD ARG 21 3HD ARG 21 2.490 -9.423 -9.188 140 HE ARG 21 HE ARG 21 4.602 -9.775 -7.101 141 1HH1 ARG 21 2HH2 ARG 21 3.546 -7.855 -9.992 142 2HH1 ARG 21 1HH2 ARG 21 5.076 -7.384 -10.412 143 1HH2 ARG 21 2HH1 ARG 21 6.730 -9.031 -7.668 144 2HH2 ARG 21 1HH1 ARG 21 6.929 -8.030 -9.077 145 H VAL 22 H VAL 22 1.020 -6.601 -5.031 146 HA VAL 22 HA VAL 22 0.577 -8.894 -3.424 147 HB VAL 22 HB VAL 22 1.792 -6.133 -3.285 148 1HG1 VAL 22 1HG1 VAL 22 2.314 -6.475 -0.900 149 2HG1 VAL 22 2HG1 VAL 22 0.683 -5.957 -1.355 150 3HG1 VAL 22 3HG1 VAL 22 0.986 -7.662 -0.859 151 1HG2 VAL 22 1HG2 VAL 22 3.743 -7.301 -2.618 152 2HG2 VAL 22 2HG2 VAL 22 2.853 -8.846 -2.508 153 3HG2 VAL 22 3HG2 VAL 22 3.075 -8.039 -4.084 154 H LEU 23 H LEU 23 -0.787 -5.594 -3.431 155 HA LEU 23 HA LEU 23 -2.713 -6.091 -1.315 156 1HB LEU 23 2HB LEU 23 -2.132 -3.965 -3.368 157 2HB LEU 23 3HB LEU 23 -3.709 -3.928 -2.694 158 HG LEU 23 HG LEU 23 -1.133 -4.030 -1.043 159 1HD1 LEU 23 1HD1 LEU 23 -2.877 -1.648 -1.786 160 2HD1 LEU 23 2HD1 LEU 23 -1.401 -1.619 -0.784 161 3HD1 LEU 23 3HD1 LEU 23 -1.286 -1.991 -2.509 162 1HD2 LEU 23 1HD2 LEU 23 -3.246 -4.725 0.159 163 2HD2 LEU 23 2HD2 LEU 23 -2.633 -3.188 0.759 164 3HD2 LEU 23 3HD2 LEU 23 -3.992 -3.220 -0.398 165 H ASN 24 H ASN 24 -2.798 -6.570 -4.860 166 HA ASN 24 HA ASN 24 -5.621 -7.007 -4.972 167 1HB ASN 24 2HB ASN 24 -4.298 -6.552 -6.981 168 2HB ASN 24 3HB ASN 24 -3.426 -8.080 -6.782 169 1HD2 ASN 24 1HD2 ASN 24 -6.721 -8.573 -5.846 170 2HD2 ASN 24 2HD2 ASN 24 -7.215 -9.209 -7.397 171 H LYS 25 H LYS 25 -2.809 -9.155 -4.355 172 HA LYS 25 HA LYS 25 -4.314 -11.505 -3.951 173 1HB LYS 25 2HB LYS 25 -1.646 -10.824 -3.679 174 2HB LYS 25 3HB LYS 25 -2.094 -11.178 -2.007 175 1HG LYS 25 2HG LYS 25 -3.055 -13.356 -2.720 176 2HG LYS 25 3HG LYS 25 -2.655 -12.984 -4.408 177 1HD LYS 25 2HD LYS 25 -0.248 -12.916 -3.844 178 2HD LYS 25 3HD LYS 25 -0.634 -13.339 -2.159 179 1HE LYS 25 2HE LYS 25 -1.682 -15.468 -2.923 180 2HE LYS 25 3HE LYS 25 -1.359 -15.037 -4.609 181 1HZ LYS 25 1HZ LYS 25 0.251 -16.567 -3.775 182 2HZ LYS 25 2HZ LYS 25 0.988 -15.146 -4.135 183 3HZ LYS 25 3HZ LYS 25 0.697 -15.552 -2.564 184 H LEU 26 H LEU 26 -3.927 -8.734 -1.776 185 HA LEU 26 HA LEU 26 -5.451 -9.834 0.424 186 1HB LEU 26 2HB LEU 26 -4.039 -7.559 0.198 187 2HB LEU 26 3HB LEU 26 -5.589 -6.913 -0.324 188 HG LEU 26 HG LEU 26 -5.477 -6.372 1.872 189 1HD1 LEU 26 1HD1 LEU 26 -7.348 -7.336 2.835 190 2HD1 LEU 26 2HD1 LEU 26 -7.613 -7.417 1.084 191 3HD1 LEU 26 3HD1 LEU 26 -7.135 -8.883 1.977 192 1HD2 LEU 26 1HD2 LEU 26 -3.682 -7.740 2.637 193 2HD2 LEU 26 2HD2 LEU 26 -5.066 -7.887 3.726 194 3HD2 LEU 26 3HD2 LEU 26 -4.691 -9.209 2.591 195 H GLY 27 H GLY 27 -6.280 -7.859 -2.441 196 1HA GLY 27 2HA GLY 27 -8.030 -8.134 -3.923 197 2HA GLY 27 3HA GLY 27 -8.720 -9.393 -2.891 198 H GLY 28 H GLY 28 -9.344 -8.331 -0.601 199 1HA GLY 28 2HA GLY 28 -11.618 -6.605 -1.199 200 2HA GLY 28 3HA GLY 28 -11.111 -7.206 0.387 201 H VAL 29 H VAL 29 -9.557 -5.097 -2.095 202 HA VAL 29 HA VAL 29 -9.313 -2.902 -0.103 203 HB VAL 29 HB VAL 29 -6.925 -2.627 -0.729 204 1HG1 VAL 29 1HG1 VAL 29 -6.002 -4.425 0.646 205 2HG1 VAL 29 2HG1 VAL 29 -7.527 -3.862 1.374 206 3HG1 VAL 29 3HG1 VAL 29 -7.471 -5.374 0.440 207 1HG2 VAL 29 1HG2 VAL 29 -7.112 -4.062 -2.881 208 2HG2 VAL 29 2HG2 VAL 29 -5.693 -4.316 -1.844 209 3HG2 VAL 29 3HG2 VAL 29 -7.052 -5.465 -1.821 210 H LYS 30 H LYS 30 -9.006 -0.790 -1.047 211 HA LYS 30 HA LYS 30 -8.235 -0.681 -3.781 212 1HB LYS 30 2HB LYS 30 -10.908 0.449 -2.943 213 2HB LYS 30 3HB LYS 30 -9.898 1.367 -4.056 214 1HG LYS 30 2HG LYS 30 -10.967 -1.429 -4.531 215 2HG LYS 30 3HG LYS 30 -11.495 0.071 -5.252 216 1HD LYS 30 2HD LYS 30 -10.198 -0.447 -6.987 217 2HD LYS 30 3HD LYS 30 -8.912 0.280 -6.049 218 1HE LYS 30 2HE LYS 30 -8.426 -1.910 -7.238 219 2HE LYS 30 3HE LYS 30 -7.935 -1.855 -5.555 220 1HZ LYS 30 1HZ LYS 30 -9.058 -3.908 -6.194 221 2HZ LYS 30 2HZ LYS 30 -9.756 -3.136 -4.934 222 3HZ LYS 30 3HZ LYS 30 -10.466 -3.079 -6.432 223 H TYR 31 H TYR 31 -7.201 1.296 -4.260 224 HA TYR 31 HA TYR 31 -6.454 2.950 -2.044 225 1HB TYR 31 2HB TYR 31 -4.005 2.118 -2.287 226 2HB TYR 31 3HB TYR 31 -5.136 1.087 -1.423 227 HD1 TYR 31 HD1 TYR 31 -6.096 -0.977 -2.367 228 HD2 TYR 31 HD2 TYR 31 -2.788 1.119 -4.149 229 HE1 TYR 31 HE1 TYR 31 -5.820 -2.805 -4.018 230 HE2 TYR 31 HE2 TYR 31 -2.313 -0.884 -5.549 231 HH TYR 31 HH TYR 31 -4.364 -3.789 -5.549 232 H ASP 32 H ASP 32 -5.213 4.722 -2.725 233 HA ASP 32 HA ASP 32 -4.915 5.024 -5.684 234 1HB ASP 32 2HB ASP 32 -6.213 6.811 -4.460 235 2HB ASP 32 3HB ASP 32 -4.721 7.225 -3.597 236 H ILE 33 H ILE 33 -2.853 5.975 -6.367 237 HA ILE 33 HA ILE 33 -0.551 4.759 -4.886 238 HB ILE 33 HB ILE 33 -1.606 4.309 -7.680 239 1HG1 ILE 33 2HG1 ILE 33 -0.625 2.256 -5.658 240 2HG1 ILE 33 3HG1 ILE 33 -2.269 2.908 -5.553 241 1HG2 ILE 33 1HG2 ILE 33 0.493 2.915 -8.011 242 2HG2 ILE 33 2HG2 ILE 33 0.709 4.659 -8.070 243 3HG2 ILE 33 3HG2 ILE 33 1.176 3.766 -6.606 244 1HD1 ILE 33 1HD1 ILE 33 -1.219 1.363 -7.941 245 2HD1 ILE 33 2HD1 ILE 33 -2.528 0.926 -6.830 246 3HD1 ILE 33 3HD1 ILE 33 -2.748 2.279 -7.913 247 H ASP 34 H ASP 34 0.539 6.531 -4.386 248 HA ASP 34 HA ASP 34 0.951 8.765 -6.287 249 1HB ASP 34 2HB ASP 34 1.362 8.202 -3.421 250 2HB ASP 34 3HB ASP 34 2.663 9.155 -4.148 251 H LEU 35 H LEU 35 1.798 7.369 -7.911 252 HA LEU 35 HA LEU 35 4.278 6.023 -7.600 253 1HB LEU 35 2HB LEU 35 2.384 6.649 -9.753 254 2HB LEU 35 3HB LEU 35 4.028 6.914 -10.318 255 HG LEU 35 HG LEU 35 3.190 4.390 -8.872 256 1HD1 LEU 35 1HD1 LEU 35 1.736 4.575 -10.826 257 2HD1 LEU 35 2HD1 LEU 35 3.130 4.918 -11.876 258 3HD1 LEU 35 3HD1 LEU 35 2.956 3.320 -11.127 259 1HD2 LEU 35 1HD2 LEU 35 5.412 4.808 -10.928 260 2HD2 LEU 35 2HD2 LEU 35 5.676 4.963 -9.190 261 3HD2 LEU 35 3HD2 LEU 35 5.178 3.401 -9.874 262 HA PRO 36 HA PRO 36 6.358 10.151 -9.126 263 1HB PRO 36 2HB PRO 36 4.893 12.424 -8.387 264 2HB PRO 36 3HB PRO 36 5.042 11.767 -10.033 265 1HG PRO 36 2HG PRO 36 2.814 11.300 -8.042 266 2HG PRO 36 3HG PRO 36 2.678 11.666 -9.783 267 1HD PRO 36 2HD PRO 36 2.408 9.173 -8.932 268 2HD PRO 36 3HD PRO 36 3.397 9.465 -10.375 269 H ASN 37 H ASN 37 3.988 10.266 -6.428 270 HA ASN 37 HA ASN 37 6.055 11.589 -4.767 271 1HB ASN 37 2HB ASN 37 3.050 11.428 -4.504 272 2HB ASN 37 3HB ASN 37 4.095 12.279 -3.380 273 1HD2 ASN 37 1HD2 ASN 37 5.466 14.073 -4.227 274 2HD2 ASN 37 2HD2 ASN 37 4.863 14.971 -5.612 275 H LYS 38 H LYS 38 5.637 8.462 -5.060 276 HA LYS 38 HA LYS 38 6.341 6.749 -3.755 277 1HB LYS 38 2HB LYS 38 7.452 9.109 -2.141 278 2HB LYS 38 3HB LYS 38 7.693 7.465 -1.613 279 1HG LYS 38 2HG LYS 38 9.630 8.379 -2.616 280 2HG LYS 38 3HG LYS 38 9.100 6.890 -3.374 281 1HD LYS 38 2HD LYS 38 8.269 9.523 -4.624 282 2HD LYS 38 3HD LYS 38 9.965 9.017 -4.772 283 1HE LYS 38 2HE LYS 38 9.342 6.846 -5.700 284 2HE LYS 38 3HE LYS 38 7.627 7.224 -5.477 285 1HZ LYS 38 1HZ LYS 38 9.406 8.317 -7.488 286 2HZ LYS 38 2HZ LYS 38 7.922 7.573 -7.600 287 3HZ LYS 38 3HZ LYS 38 8.017 9.106 -7.024 288 H LYS 39 H LYS 39 3.637 6.893 -3.488 289 HA LYS 39 HA LYS 39 3.283 6.313 -0.625 290 1HB LYS 39 2HB LYS 39 2.619 8.929 -1.788 291 2HB LYS 39 3HB LYS 39 1.173 8.122 -1.177 292 1HG LYS 39 2HG LYS 39 2.414 7.867 1.028 293 2HG LYS 39 3HG LYS 39 3.689 8.897 0.319 294 1HD LYS 39 2HD LYS 39 1.809 10.561 -0.254 295 2HD LYS 39 3HD LYS 39 0.722 9.534 0.698 296 1HE LYS 39 2HE LYS 39 2.285 9.846 2.681 297 2HE LYS 39 3HE LYS 39 3.191 11.028 1.708 298 1HZ LYS 39 1HZ LYS 39 1.036 12.246 1.522 299 2HZ LYS 39 2HZ LYS 39 0.381 11.144 2.561 300 3HZ LYS 39 3HZ LYS 39 1.573 12.120 3.085 301 H VAL 40 H VAL 40 1.215 5.478 -0.062 302 HA VAL 40 HA VAL 40 -0.567 4.679 -2.251 303 HB VAL 40 HB VAL 40 0.417 2.825 -0.023 304 1HG1 VAL 40 1HG1 VAL 40 -0.895 1.122 -1.241 305 2HG1 VAL 40 2HG1 VAL 40 -1.914 2.489 -0.741 306 3HG1 VAL 40 3HG1 VAL 40 -1.391 2.353 -2.429 307 1HG2 VAL 40 1HG2 VAL 40 0.973 2.700 -3.002 308 2HG2 VAL 40 2HG2 VAL 40 2.178 3.106 -1.752 309 3HG2 VAL 40 3HG2 VAL 40 1.460 1.493 -1.787 310 H CYS 41 H CYS 41 -2.654 5.191 -1.586 311 HA CYS 41 HA CYS 41 -3.211 5.642 1.356 312 1HB CYS 41 2HB CYS 41 -4.368 6.967 -1.143 313 2HB CYS 41 3HB CYS 41 -5.024 7.160 0.488 314 HG CYS 41 HG CYS 41 -3.010 8.396 1.544 315 H ILE 42 H ILE 42 -4.131 3.766 2.065 316 HA ILE 42 HA ILE 42 -5.874 2.388 0.145 317 HB ILE 42 HB ILE 42 -4.812 1.237 2.752 318 1HG1 ILE 42 2HG1 ILE 42 -3.530 1.213 0.012 319 2HG1 ILE 42 3HG1 ILE 42 -2.874 1.895 1.509 320 1HG2 ILE 42 1HG2 ILE 42 -5.352 -0.935 1.506 321 2HG2 ILE 42 2HG2 ILE 42 -6.745 0.078 1.839 322 3HG2 ILE 42 3HG2 ILE 42 -6.044 0.030 0.222 323 1HD1 ILE 42 1HD1 ILE 42 -3.225 -1.063 1.008 324 2HD1 ILE 42 2HD1 ILE 42 -1.753 -0.132 0.808 325 3HD1 ILE 42 3HD1 ILE 42 -2.422 -0.306 2.408 326 H GLU 43 H GLU 43 -8.037 2.108 0.480 327 HA GLU 43 HA GLU 43 -9.140 2.660 3.201 328 1HB GLU 43 2HB GLU 43 -10.189 3.721 0.541 329 2HB GLU 43 3HB GLU 43 -11.211 3.497 1.968 330 1HG GLU 43 2HG GLU 43 -9.675 4.911 3.299 331 2HG GLU 43 3HG GLU 43 -8.760 5.283 1.817 332 H SER 44 H SER 44 -9.694 0.672 3.874 333 HA SER 44 HA SER 44 -12.002 -0.377 2.645 334 1HB SER 44 2HB SER 44 -10.151 -1.593 1.354 335 2HB SER 44 3HB SER 44 -9.727 -2.397 2.872 336 HG SER 44 HG SER 44 -11.250 -3.643 1.730 337 H GLU 45 H GLU 45 -12.867 -2.162 4.107 338 HA GLU 45 HA GLU 45 -12.378 -1.398 6.878 339 1HB GLU 45 2HB GLU 45 -14.223 -3.592 5.854 340 2HB GLU 45 3HB GLU 45 -14.300 -2.703 7.384 341 1HG GLU 45 2HG GLU 45 -14.898 -1.630 4.589 342 2HG GLU 45 3HG GLU 45 -16.013 -1.828 5.939 343 H HIS 46 H HIS 46 -10.024 -2.315 6.113 344 HA HIS 46 HA HIS 46 -9.686 -4.964 7.470 345 1HB HIS 46 2HB HIS 46 -8.262 -3.828 5.031 346 2HB HIS 46 3HB HIS 46 -7.517 -5.028 6.085 347 HD1 HIS 46 1HD HIS 46 -8.306 -7.523 5.860 348 HD2 HIS 46 2HD HIS 46 -10.307 -4.718 3.462 349 HE1 HIS 46 1HE HIS 46 -9.529 -8.846 4.059 350 H SER 47 H SER 47 -8.469 -4.716 9.279 351 HA SER 47 HA SER 47 -7.661 -2.176 10.226 352 1HB SER 47 2HB SER 47 -8.063 -4.337 11.564 353 2HB SER 47 3HB SER 47 -6.389 -4.771 11.151 354 HG SER 47 HG SER 47 -5.738 -3.292 12.564 355 H MET 48 H MET 48 -5.618 -1.216 10.457 356 HA MET 48 HA MET 48 -3.977 -1.264 8.181 357 1HB MET 48 2HB MET 48 -2.287 -0.071 9.474 358 2HB MET 48 3HB MET 48 -3.891 0.653 9.554 359 1HG MET 48 2HG MET 48 -3.090 -1.252 11.716 360 2HG MET 48 3HG MET 48 -2.365 0.354 11.713 361 1HE MET 48 1HE MET 48 -3.373 0.363 14.247 362 2HE MET 48 2HE MET 48 -5.121 0.272 14.580 363 3HE MET 48 3HE MET 48 -4.260 -1.157 13.966 364 H ASP 49 H ASP 49 -3.771 -3.209 11.161 365 HA ASP 49 HA ASP 49 -1.244 -4.325 10.901 366 1HB ASP 49 2HB ASP 49 -3.716 -5.890 11.770 367 2HB ASP 49 3HB ASP 49 -2.056 -6.041 12.354 368 H THR 50 H THR 50 -4.346 -5.512 9.604 369 HA THR 50 HA THR 50 -3.444 -7.813 8.291 370 HB THR 50 HB THR 50 -5.799 -6.093 7.418 371 HG1 THR 50 1HG THR 50 -5.561 -7.628 9.786 372 1HG2 THR 50 1HG2 THR 50 -5.421 -9.106 7.777 373 2HG2 THR 50 2HG2 THR 50 -6.919 -8.310 7.267 374 3HG2 THR 50 3HG2 THR 50 -5.477 -8.237 6.229 375 H LEU 51 H LEU 51 -3.781 -4.420 7.193 376 HA LEU 51 HA LEU 51 -3.059 -4.964 4.436 377 1HB LEU 51 2HB LEU 51 -2.915 -2.388 6.068 378 2HB LEU 51 3HB LEU 51 -2.522 -2.557 4.363 379 HG LEU 51 HG LEU 51 -5.219 -2.685 5.739 380 1HD1 LEU 51 1HD1 LEU 51 -5.712 -1.045 3.936 381 2HD1 LEU 51 2HD1 LEU 51 -4.219 -0.580 4.793 382 3HD1 LEU 51 3HD1 LEU 51 -4.110 -1.382 3.224 383 1HD2 LEU 51 1HD2 LEU 51 -4.619 -3.823 2.965 384 2HD2 LEU 51 2HD2 LEU 51 -5.327 -4.699 4.348 385 3HD2 LEU 51 3HD2 LEU 51 -6.235 -3.404 3.565 386 H LEU 52 H LEU 52 -1.230 -3.417 7.106 387 HA LEU 52 HA LEU 52 1.251 -3.158 6.151 388 1HB LEU 52 2HB LEU 52 0.207 -3.891 8.861 389 2HB LEU 52 3HB LEU 52 1.878 -4.290 8.510 390 HG LEU 52 HG LEU 52 2.121 -1.821 7.721 391 1HD1 LEU 52 1HD1 LEU 52 -0.230 -1.598 9.660 392 2HD1 LEU 52 2HD1 LEU 52 0.640 -0.259 8.898 393 3HD1 LEU 52 3HD1 LEU 52 -0.352 -1.343 7.905 394 1HD2 LEU 52 1HD2 LEU 52 2.692 -1.167 10.019 395 2HD2 LEU 52 2HD2 LEU 52 1.843 -2.606 10.632 396 3HD2 LEU 52 3HD2 LEU 52 3.283 -2.789 9.604 397 H ALA 53 H ALA 53 0.128 -6.202 7.750 398 HA ALA 53 HA ALA 53 2.438 -7.703 7.300 399 1HB ALA 53 1HB ALA 53 0.572 -8.390 8.772 400 2HB ALA 53 2HB ALA 53 -0.461 -8.669 7.352 401 3HB ALA 53 3HB ALA 53 0.978 -9.679 7.620 402 H THR 54 H THR 54 -0.247 -7.090 4.990 403 HA THR 54 HA THR 54 0.972 -8.939 3.060 404 HB THR 54 HB THR 54 -1.538 -7.282 3.118 405 HG1 THR 54 1HG THR 54 -1.821 -9.159 4.103 406 1HG2 THR 54 1HG2 THR 54 -0.859 -7.128 0.828 407 2HG2 THR 54 2HG2 THR 54 -0.376 -8.843 0.775 408 3HG2 THR 54 3HG2 THR 54 -2.079 -8.405 0.934 409 H LEU 55 H LEU 55 0.688 -5.410 3.521 410 HA LEU 55 HA LEU 55 1.724 -4.788 0.939 411 1HB LEU 55 2HB LEU 55 0.675 -3.434 3.249 412 2HB LEU 55 3HB LEU 55 2.238 -2.695 2.859 413 HG LEU 55 HG LEU 55 -0.321 -2.754 1.303 414 1HD1 LEU 55 1HD1 LEU 55 -0.055 -0.998 2.933 415 2HD1 LEU 55 2HD1 LEU 55 1.602 -0.645 2.415 416 3HD1 LEU 55 3HD1 LEU 55 0.273 -0.244 1.357 417 1HD2 LEU 55 1HD2 LEU 55 0.918 -1.475 -0.455 418 2HD2 LEU 55 2HD2 LEU 55 2.442 -2.091 0.239 419 3HD2 LEU 55 3HD2 LEU 55 1.229 -3.214 -0.441 420 H LYS 56 H LYS 56 3.203 -5.486 4.098 421 HA LYS 56 HA LYS 56 5.891 -4.902 3.673 422 1HB LYS 56 2HB LYS 56 4.244 -6.757 5.344 423 2HB LYS 56 3HB LYS 56 5.839 -7.340 4.999 424 1HG LYS 56 2HG LYS 56 5.908 -6.278 7.016 425 2HG LYS 56 3HG LYS 56 6.883 -5.318 5.908 426 1HD LYS 56 2HD LYS 56 4.087 -4.638 6.982 427 2HD LYS 56 3HD LYS 56 5.621 -4.053 7.610 428 1HE LYS 56 2HE LYS 56 6.123 -3.078 5.337 429 2HE LYS 56 3HE LYS 56 4.428 -3.360 4.890 430 1HZ LYS 56 1HZ LYS 56 3.740 -1.760 6.333 431 2HZ LYS 56 2HZ LYS 56 5.065 -1.859 7.314 432 3HZ LYS 56 3HZ LYS 56 5.184 -1.132 5.854 433 H LYS 57 H LYS 57 3.945 -7.439 2.089 434 HA LYS 57 HA LYS 57 6.145 -9.128 1.392 435 1HB LYS 57 2HB LYS 57 3.454 -8.782 0.036 436 2HB LYS 57 3HB LYS 57 4.571 -10.118 -0.227 437 1HG LYS 57 2HG LYS 57 4.298 -10.982 1.981 438 2HG LYS 57 3HG LYS 57 3.512 -9.513 2.563 439 1HD LYS 57 2HD LYS 57 1.607 -9.907 1.045 440 2HD LYS 57 3HD LYS 57 2.316 -11.440 0.531 441 1HE LYS 57 2HE LYS 57 1.981 -12.474 2.623 442 2HE LYS 57 3HE LYS 57 1.905 -10.957 3.510 443 1HZ LYS 57 1HZ LYS 57 -0.227 -12.060 3.305 444 2HZ LYS 57 2HZ LYS 57 -0.302 -10.559 2.687 445 3HZ LYS 57 3HZ LYS 57 -0.221 -11.860 1.677 446 H THR 58 H THR 58 5.210 -6.007 0.165 447 HA THR 58 HA THR 58 6.564 -6.149 -2.449 448 HB THR 58 HB THR 58 6.325 -3.830 -2.472 449 HG1 THR 58 1HG THR 58 5.448 -3.813 0.226 450 1HG2 THR 58 1HG2 THR 58 3.917 -5.018 -1.077 451 2HG2 THR 58 2HG2 THR 58 3.953 -3.491 -1.931 452 3HG2 THR 58 3HG2 THR 58 4.280 -5.015 -2.810 453 H GLY 59 H GLY 59 7.488 -5.673 0.904 454 1HA GLY 59 2HA GLY 59 9.393 -5.344 1.929 455 2HA GLY 59 3HA GLY 59 10.213 -6.227 0.615 456 H LYS 60 H LYS 60 8.433 -3.197 0.240 457 HA LYS 60 HA LYS 60 10.833 -1.725 -0.664 458 1HB LYS 60 2HB LYS 60 7.967 -0.825 -0.208 459 2HB LYS 60 3HB LYS 60 9.166 0.057 -1.126 460 1HG LYS 60 2HG LYS 60 7.953 -2.641 -1.852 461 2HG LYS 60 3HG LYS 60 7.521 -1.101 -2.580 462 1HD LYS 60 2HD LYS 60 10.063 -2.735 -2.886 463 2HD LYS 60 3HD LYS 60 8.882 -2.274 -4.116 464 1HE LYS 60 2HE LYS 60 9.454 0.202 -3.406 465 2HE LYS 60 3HE LYS 60 10.905 -0.481 -2.652 466 1HZ LYS 60 1HZ LYS 60 11.439 0.372 -4.654 467 2HZ LYS 60 2HZ LYS 60 11.518 -1.254 -4.900 468 3HZ LYS 60 3HZ LYS 60 10.259 -0.352 -5.523 469 H THR 61 H THR 61 10.785 0.711 0.338 470 HA THR 61 HA THR 61 10.891 0.644 3.205 471 HB THR 61 HB THR 61 10.656 3.091 1.537 472 HG1 THR 61 1HG THR 61 12.933 1.415 1.677 473 1HG2 THR 61 1HG2 THR 61 11.012 3.362 3.986 474 2HG2 THR 61 2HG2 THR 61 12.480 2.367 3.880 475 3HG2 THR 61 3HG2 THR 61 12.409 3.942 3.062 476 H VAL 62 H VAL 62 8.476 -0.439 2.733 477 HA VAL 62 HA VAL 62 6.393 1.538 2.315 478 HB VAL 62 HB VAL 62 5.956 -0.357 1.241 479 1HG1 VAL 62 1HG1 VAL 62 7.361 -2.055 1.958 480 2HG1 VAL 62 2HG1 VAL 62 6.885 -1.890 3.656 481 3HG1 VAL 62 3HG1 VAL 62 5.791 -2.658 2.480 482 1HG2 VAL 62 1HG2 VAL 62 4.257 -0.830 3.707 483 2HG2 VAL 62 2HG2 VAL 62 3.986 0.481 2.543 484 3HG2 VAL 62 3HG2 VAL 62 3.902 -1.206 2.015 485 H SER 63 H SER 63 6.523 2.929 3.862 486 HA SER 63 HA SER 63 6.579 2.147 6.735 487 1HB SER 63 2HB SER 63 7.066 4.852 5.428 488 2HB SER 63 3HB SER 63 7.459 4.369 7.088 489 HG SER 63 HG SER 63 8.560 3.317 4.667 490 H TYR 64 H TYR 64 4.753 2.418 7.973 491 HA TYR 64 HA TYR 64 2.308 3.300 6.675 492 1HB TYR 64 2HB TYR 64 2.377 1.307 8.078 493 2HB TYR 64 3HB TYR 64 2.960 2.251 9.448 494 HD1 TYR 64 HD1 TYR 64 0.079 2.545 7.001 495 HD2 TYR 64 HD2 TYR 64 1.343 2.467 11.126 496 HE1 TYR 64 HE1 TYR 64 -2.247 2.902 7.730 497 HE2 TYR 64 HE2 TYR 64 -0.999 2.775 11.844 498 HH TYR 64 HH TYR 64 -3.217 2.915 11.161 499 H LEU 65 H LEU 65 1.036 5.055 7.204 500 HA LEU 65 HA LEU 65 2.148 7.184 8.976 501 1HB LEU 65 2HB LEU 65 0.524 7.390 6.445 502 2HB LEU 65 3HB LEU 65 0.732 8.701 7.604 503 HG LEU 65 HG LEU 65 3.335 8.080 7.355 504 1HD1 LEU 65 1HD1 LEU 65 2.134 7.336 4.655 505 2HD1 LEU 65 2HD1 LEU 65 3.864 7.515 5.055 506 3HD1 LEU 65 3HD1 LEU 65 2.921 6.221 5.793 507 1HD2 LEU 65 1HD2 LEU 65 2.370 10.247 6.995 508 2HD2 LEU 65 2HD2 LEU 65 3.477 9.848 5.658 509 3HD2 LEU 65 3HD2 LEU 65 1.711 9.745 5.413 510 H GLY 66 H GLY 66 0.079 8.648 9.580 511 1HA GLY 66 2HA GLY 66 -1.351 7.187 11.511 512 2HA GLY 66 3HA GLY 66 -1.742 8.820 10.945 513 H LEU 67 H LEU 67 -3.564 6.743 11.720 514 HA LEU 67 HA LEU 67 -5.040 5.824 9.374 515 1HB LEU 67 2HB LEU 67 -4.929 4.496 11.373 516 2HB LEU 67 3HB LEU 67 -5.434 5.825 12.408 517 HG LEU 67 HG LEU 67 -7.266 4.813 10.233 518 1HD1 LEU 67 1HD1 LEU 67 -8.202 3.178 11.822 519 2HD1 LEU 67 2HD1 LEU 67 -6.491 2.833 11.541 520 3HD1 LEU 67 3HD1 LEU 67 -6.990 3.638 13.040 521 1HD2 LEU 67 1HD2 LEU 67 -8.142 6.792 11.378 522 2HD2 LEU 67 2HD2 LEU 67 -8.989 5.417 12.070 523 3HD2 LEU 67 3HD2 LEU 67 -7.657 6.154 12.962 524 H GLU 68 H GLU 68 -6.761 6.995 8.478 525 HA GLU 68 HA GLU 68 -7.960 9.223 10.023 526 1HB GLU 68 2HB GLU 68 -7.269 9.386 7.062 527 2HB GLU 68 3HB GLU 68 -8.125 10.592 8.021 528 1HG GLU 68 2HG GLU 68 -6.069 10.924 9.398 529 2HG GLU 68 3HG GLU 68 -5.210 9.745 8.391 Start of MODEL 9 1 1H MET 1 H1 MET 1 -11.215 7.769 7.867 2 2H MET 1 H2 MET 1 -12.500 8.577 8.303 3 3H MET 1 H3 MET 1 -11.757 7.488 9.363 4 HA MET 1 HA MET 1 -13.738 6.419 8.348 5 1HB MET 1 2HB MET 1 -11.921 6.201 5.911 6 2HB MET 1 3HB MET 1 -13.656 5.832 6.053 7 1HG MET 1 2HG MET 1 -12.319 8.538 5.931 8 2HG MET 1 3HG MET 1 -13.456 7.838 4.787 9 1HE MET 1 1HE MET 1 -14.522 10.340 4.920 10 2HE MET 1 2HE MET 1 -15.164 11.042 6.426 11 3HE MET 1 3HE MET 1 -13.412 10.801 6.235 12 HA PRO 2 HA PRO 2 -10.018 3.537 8.872 13 1HB PRO 2 2HB PRO 2 -10.488 1.120 7.828 14 2HB PRO 2 3HB PRO 2 -11.594 1.799 9.051 15 1HG PRO 2 2HG PRO 2 -12.014 1.633 6.079 16 2HG PRO 2 3HG PRO 2 -13.199 1.432 7.400 17 1HD PRO 2 2HD PRO 2 -12.588 3.775 5.861 18 2HD PRO 2 3HD PRO 2 -13.680 3.694 7.278 19 H LYS 3 H LYS 3 -9.013 5.282 7.413 20 HA LYS 3 HA LYS 3 -8.043 4.177 4.824 21 1HB LYS 3 2HB LYS 3 -9.314 6.268 4.816 22 2HB LYS 3 3HB LYS 3 -7.982 7.032 5.754 23 1HG LYS 3 2HG LYS 3 -6.457 6.904 4.015 24 2HG LYS 3 3HG LYS 3 -7.433 5.749 3.097 25 1HD LYS 3 2HD LYS 3 -7.407 8.125 2.231 26 2HD LYS 3 3HD LYS 3 -8.976 7.362 2.381 27 1HE LYS 3 2HE LYS 3 -7.844 9.326 4.439 28 2HE LYS 3 3HE LYS 3 -8.890 9.764 3.083 29 1HZ LYS 3 1HZ LYS 3 -9.654 8.175 5.436 30 2HZ LYS 3 2HZ LYS 3 -10.285 9.542 4.909 31 3HZ LYS 3 3HZ LYS 3 -10.528 8.119 4.045 32 H HIS 4 H HIS 4 -5.966 3.823 4.573 33 HA HIS 4 HA HIS 4 -4.114 4.232 6.856 34 1HB HIS 4 2HB HIS 4 -4.672 1.751 5.190 35 2HB HIS 4 3HB HIS 4 -3.477 1.851 6.490 36 HD1 HIS 4 1HD HIS 4 -6.026 3.563 8.193 37 HD2 HIS 4 2HD HIS 4 -5.770 -0.340 6.640 38 HE1 HIS 4 1HE HIS 4 -7.686 2.117 9.505 39 H GLU 5 H GLU 5 -2.703 5.645 6.014 40 HA GLU 5 HA GLU 5 -1.970 5.579 3.146 41 1HB GLU 5 2HB GLU 5 -2.508 7.606 5.111 42 2HB GLU 5 3HB GLU 5 -0.834 7.811 4.582 43 1HG GLU 5 2HG GLU 5 -3.016 7.472 2.516 44 2HG GLU 5 3HG GLU 5 -2.978 8.953 3.461 45 H PHE 6 H PHE 6 0.042 5.065 2.475 46 HA PHE 6 HA PHE 6 2.149 4.405 4.493 47 1HB PHE 6 2HB PHE 6 1.314 2.795 2.073 48 2HB PHE 6 3HB PHE 6 2.737 2.484 3.061 49 HD1 PHE 6 1HD PHE 6 -1.013 2.570 3.133 50 HD2 PHE 6 2HD PHE 6 2.571 1.139 5.087 51 HE1 PHE 6 1HE PHE 6 -2.362 1.109 4.572 52 HE2 PHE 6 2HE PHE 6 1.235 -0.446 6.357 53 HZ PHE 6 HZ PHE 6 -1.261 -0.430 6.190 54 H SER 7 H SER 7 4.113 5.210 3.986 55 HA SER 7 HA SER 7 4.491 6.444 1.291 56 1HB SER 7 2HB SER 7 5.136 7.815 3.228 57 2HB SER 7 3HB SER 7 6.351 6.598 3.668 58 HG SER 7 HG SER 7 6.100 8.237 1.349 59 H VAL 8 H VAL 8 5.725 5.340 -0.144 60 HA VAL 8 HA VAL 8 6.962 2.725 0.611 61 HB VAL 8 HB VAL 8 4.936 3.242 -1.608 62 1HG1 VAL 8 1HG1 VAL 8 6.500 1.428 -2.194 63 2HG1 VAL 8 2HG1 VAL 8 6.251 0.660 -0.614 64 3HG1 VAL 8 3HG1 VAL 8 4.932 0.737 -1.797 65 1HG2 VAL 8 1HG2 VAL 8 3.687 3.232 0.472 66 2HG2 VAL 8 2HG2 VAL 8 3.509 1.602 -0.183 67 3HG2 VAL 8 3HG2 VAL 8 4.659 1.894 1.122 68 H ASP 9 H ASP 9 8.631 2.071 -0.930 69 HA ASP 9 HA ASP 9 9.760 4.192 -2.622 70 1HB ASP 9 2HB ASP 9 11.393 2.676 -1.887 71 2HB ASP 9 3HB ASP 9 10.373 1.272 -2.205 72 H MET 10 H MET 10 8.486 4.852 -4.229 73 HA MET 10 HA MET 10 7.376 2.807 -6.092 74 1HB MET 10 2HB MET 10 6.294 5.606 -5.798 75 2HB MET 10 3HB MET 10 5.596 4.279 -6.710 76 1HG MET 10 2HG MET 10 5.784 3.919 -3.732 77 2HG MET 10 3HG MET 10 4.629 5.074 -4.376 78 1HE MET 10 1HE MET 10 5.435 1.781 -6.339 79 2HE MET 10 2HE MET 10 5.709 1.320 -4.632 80 3HE MET 10 3HE MET 10 4.324 0.667 -5.534 81 H THR 11 H THR 11 10.052 3.378 -6.247 82 HA THR 11 HA THR 11 10.560 5.741 -7.728 83 HB THR 11 HB THR 11 12.204 3.202 -7.433 84 HG1 THR 11 1HG THR 11 11.862 4.194 -5.516 85 1HG2 THR 11 1HG2 THR 11 13.016 5.973 -8.421 86 2HG2 THR 11 2HG2 THR 11 14.150 4.714 -7.890 87 3HG2 THR 11 3HG2 THR 11 13.151 4.444 -9.322 88 H CYS 12 HN CYS 12 9.178 2.733 -8.943 89 HA CYS 12 HA CYS 12 8.971 4.136 -11.482 90 1HB CYS 12 2HB CYS 12 9.763 2.383 -12.898 91 2HB CYS 12 3HB CYS 12 11.040 2.742 -11.744 92 H GLY 13 H GLY 13 7.363 3.141 -12.870 93 1HA GLY 13 2HA GLY 13 4.904 2.484 -11.712 94 2HA GLY 13 3HA GLY 13 5.400 2.085 -13.361 95 H GLY 14 H GLY 14 7.671 0.398 -12.469 96 1HA GLY 14 2HA GLY 14 6.412 -2.114 -12.314 97 2HA GLY 14 3HA GLY 14 8.123 -1.749 -11.952 98 H CYS 15 HN CYS 15 7.657 0.074 -9.729 99 HA CYS 15 HA CYS 15 7.268 -1.868 -7.606 100 1HB CYS 15 2HB CYS 15 7.459 1.151 -7.576 101 2HB CYS 15 3HB CYS 15 7.419 0.117 -6.139 102 H ALA 16 H ALA 16 5.291 0.736 -9.094 103 HA ALA 16 HA ALA 16 3.035 0.509 -7.358 104 1HB ALA 16 1HB ALA 16 3.202 2.371 -8.862 105 2HB ALA 16 2HB ALA 16 3.124 1.310 -10.287 106 3HB ALA 16 3HB ALA 16 1.726 1.451 -9.220 107 H GLU 17 H GLU 17 3.695 -1.189 -10.485 108 HA GLU 17 HA GLU 17 1.492 -2.870 -10.523 109 1HB GLU 17 2HB GLU 17 3.174 -2.429 -12.281 110 2HB GLU 17 3HB GLU 17 4.383 -3.363 -11.394 111 1HG GLU 17 2HG GLU 17 1.739 -4.546 -12.347 112 2HG GLU 17 3HG GLU 17 3.242 -4.420 -13.286 113 H ALA 18 H ALA 18 4.752 -3.502 -9.078 114 HA ALA 18 HA ALA 18 4.198 -6.051 -8.084 115 1HB ALA 18 1HB ALA 18 6.007 -3.929 -6.857 116 2HB ALA 18 2HB ALA 18 6.094 -5.674 -6.555 117 3HB ALA 18 3HB ALA 18 6.462 -5.035 -8.175 118 H VAL 19 H VAL 19 3.779 -2.879 -6.396 119 HA VAL 19 HA VAL 19 2.824 -3.996 -3.973 120 HB VAL 19 HB VAL 19 2.437 -1.291 -5.346 121 1HG1 VAL 19 1HG1 VAL 19 0.540 -1.572 -3.966 122 2HG1 VAL 19 2HG1 VAL 19 1.503 -2.421 -2.719 123 3HG1 VAL 19 3HG1 VAL 19 1.681 -0.654 -2.972 124 1HG2 VAL 19 1HG2 VAL 19 4.772 -1.850 -4.464 125 2HG2 VAL 19 2HG2 VAL 19 3.988 -0.467 -3.674 126 3HG2 VAL 19 3HG2 VAL 19 4.053 -2.007 -2.853 127 H SER 20 H SER 20 1.144 -2.875 -6.933 128 HA SER 20 HA SER 20 -1.461 -3.224 -5.978 129 1HB SER 20 2HB SER 20 -0.688 -2.125 -8.146 130 2HB SER 20 3HB SER 20 -0.579 -3.715 -8.871 131 HG SER 20 HG SER 20 -2.958 -2.882 -7.577 132 H ARG 21 H ARG 21 0.569 -5.445 -7.791 133 HA ARG 21 HA ARG 21 -1.041 -7.708 -7.895 134 1HB ARG 21 2HB ARG 21 0.728 -8.435 -8.960 135 2HB ARG 21 3HB ARG 21 1.717 -7.105 -8.396 136 1HG ARG 21 2HG ARG 21 2.510 -8.358 -6.486 137 2HG ARG 21 3HG ARG 21 1.365 -9.657 -6.783 138 1HD ARG 21 2HD ARG 21 3.043 -10.670 -7.845 139 2HD ARG 21 3HD ARG 21 2.657 -9.642 -9.210 140 HE ARG 21 HE ARG 21 4.833 -9.323 -7.178 141 1HH1 ARG 21 2HH2 ARG 21 3.445 -7.860 -10.182 142 2HH1 ARG 21 1HH2 ARG 21 4.911 -7.353 -10.754 143 1HH2 ARG 21 2HH1 ARG 21 6.839 -8.483 -7.978 144 2HH2 ARG 21 1HH1 ARG 21 6.856 -7.640 -9.499 145 H VAL 22 H VAL 22 0.982 -6.625 -5.115 146 HA VAL 22 HA VAL 22 0.474 -8.999 -3.543 147 HB VAL 22 HB VAL 22 1.938 -6.377 -3.408 148 1HG1 VAL 22 1HG1 VAL 22 0.802 -5.981 -1.504 149 2HG1 VAL 22 2HG1 VAL 22 0.844 -7.695 -0.947 150 3HG1 VAL 22 3HG1 VAL 22 2.312 -6.708 -0.940 151 1HG2 VAL 22 1HG2 VAL 22 3.076 -8.401 -4.052 152 2HG2 VAL 22 2HG2 VAL 22 3.722 -7.685 -2.567 153 3HG2 VAL 22 3HG2 VAL 22 2.692 -9.137 -2.469 154 H LEU 23 H LEU 23 -0.688 -5.580 -3.437 155 HA LEU 23 HA LEU 23 -2.335 -5.989 -1.207 156 1HB LEU 23 2HB LEU 23 -1.964 -3.882 -3.205 157 2HB LEU 23 3HB LEU 23 -3.621 -3.958 -2.685 158 HG LEU 23 HG LEU 23 -1.258 -3.912 -0.766 159 1HD1 LEU 23 1HD1 LEU 23 -1.352 -1.895 -2.276 160 2HD1 LEU 23 2HD1 LEU 23 -3.031 -1.631 -1.746 161 3HD1 LEU 23 3HD1 LEU 23 -1.685 -1.518 -0.590 162 1HD2 LEU 23 1HD2 LEU 23 -3.563 -4.771 0.043 163 2HD2 LEU 23 2HD2 LEU 23 -2.995 -3.321 0.872 164 3HD2 LEU 23 3HD2 LEU 23 -4.196 -3.196 -0.440 165 H ASN 24 H ASN 24 -2.990 -6.321 -4.712 166 HA ASN 24 HA ASN 24 -5.732 -6.881 -4.717 167 1HB ASN 24 2HB ASN 24 -4.564 -6.761 -6.814 168 2HB ASN 24 3HB ASN 24 -3.417 -8.013 -6.326 169 1HD2 ASN 24 1HD2 ASN 24 -7.011 -8.017 -6.008 170 2HD2 ASN 24 2HD2 ASN 24 -7.229 -9.434 -7.011 171 H LYS 25 H LYS 25 -2.996 -9.037 -3.826 172 HA LYS 25 HA LYS 25 -4.589 -11.404 -3.849 173 1HB LYS 25 2HB LYS 25 -1.778 -10.652 -3.346 174 2HB LYS 25 3HB LYS 25 -2.340 -11.868 -2.230 175 1HG LYS 25 2HG LYS 25 -1.451 -12.980 -4.221 176 2HG LYS 25 3HG LYS 25 -3.206 -13.175 -4.248 177 1HD LYS 25 2HD LYS 25 -3.043 -10.847 -5.639 178 2HD LYS 25 3HD LYS 25 -1.406 -11.416 -5.941 179 1HE LYS 25 2HE LYS 25 -2.290 -13.437 -7.029 180 2HE LYS 25 3HE LYS 25 -3.939 -13.042 -6.502 181 1HZ LYS 25 1HZ LYS 25 -2.362 -11.425 -8.386 182 2HZ LYS 25 2HZ LYS 25 -3.617 -12.416 -8.774 183 3HZ LYS 25 3HZ LYS 25 -3.878 -11.074 -7.859 184 H LEU 26 H LEU 26 -3.918 -9.077 -1.311 185 HA LEU 26 HA LEU 26 -5.133 -10.416 0.905 186 1HB LEU 26 2HB LEU 26 -3.972 -8.419 1.231 187 2HB LEU 26 3HB LEU 26 -4.901 -7.535 0.044 188 HG LEU 26 HG LEU 26 -5.353 -6.640 2.076 189 1HD1 LEU 26 1HD1 LEU 26 -7.665 -6.561 2.168 190 2HD1 LEU 26 2HD1 LEU 26 -7.310 -6.960 0.471 191 3HD1 LEU 26 3HD1 LEU 26 -7.900 -8.199 1.601 192 1HD2 LEU 26 1HD2 LEU 26 -6.317 -7.743 3.964 193 2HD2 LEU 26 2HD2 LEU 26 -6.342 -9.315 3.114 194 3HD2 LEU 26 3HD2 LEU 26 -4.792 -8.547 3.538 195 H GLY 27 H GLY 27 -6.560 -8.601 -1.846 196 1HA GLY 27 2HA GLY 27 -8.538 -9.462 -2.859 197 2HA GLY 27 3HA GLY 27 -9.201 -9.886 -1.285 198 H GLY 28 H GLY 28 -10.011 -8.265 0.131 199 1HA GLY 28 2HA GLY 28 -11.661 -6.538 -1.473 200 2HA GLY 28 3HA GLY 28 -11.767 -6.824 0.267 201 H VAL 29 H VAL 29 -9.133 -5.454 -1.716 202 HA VAL 29 HA VAL 29 -9.112 -3.010 0.041 203 HB VAL 29 HB VAL 29 -6.832 -2.676 -0.961 204 1HG1 VAL 29 1HG1 VAL 29 -5.997 -4.927 0.339 205 2HG1 VAL 29 2HG1 VAL 29 -6.535 -3.433 1.143 206 3HG1 VAL 29 3HG1 VAL 29 -7.656 -4.778 0.945 207 1HG2 VAL 29 1HG2 VAL 29 -5.689 -4.409 -2.063 208 2HG2 VAL 29 2HG2 VAL 29 -6.992 -5.590 -1.815 209 3HG2 VAL 29 3HG2 VAL 29 -7.208 -4.249 -2.953 210 H LYS 30 H LYS 30 -8.997 -0.916 -0.880 211 HA LYS 30 HA LYS 30 -8.426 -0.800 -3.641 212 1HB LYS 30 2HB LYS 30 -11.070 0.234 -2.692 213 2HB LYS 30 3HB LYS 30 -10.117 1.386 -3.632 214 1HG LYS 30 2HG LYS 30 -10.700 -1.434 -4.548 215 2HG LYS 30 3HG LYS 30 -11.663 -0.022 -5.003 216 1HD LYS 30 2HD LYS 30 -9.961 0.910 -6.362 217 2HD LYS 30 3HD LYS 30 -8.651 0.079 -5.563 218 1HE LYS 30 2HE LYS 30 -8.973 -0.921 -7.725 219 2HE LYS 30 3HE LYS 30 -9.325 -2.088 -6.441 220 1HZ LYS 30 1HZ LYS 30 -10.962 -2.156 -8.198 221 2HZ LYS 30 2HZ LYS 30 -11.666 -1.679 -6.792 222 3HZ LYS 30 3HZ LYS 30 -11.348 -0.573 -7.971 223 H TYR 31 H TYR 31 -7.339 1.146 -4.165 224 HA TYR 31 HA TYR 31 -6.413 2.754 -1.994 225 1HB TYR 31 2HB TYR 31 -4.014 1.876 -2.369 226 2HB TYR 31 3HB TYR 31 -5.096 0.813 -1.493 227 HD1 TYR 31 HD1 TYR 31 -2.779 0.905 -4.178 228 HD2 TYR 31 HD2 TYR 31 -6.214 -1.156 -2.622 229 HE1 TYR 31 HE1 TYR 31 -2.289 -1.064 -5.615 230 HE2 TYR 31 HE2 TYR 31 -5.907 -2.953 -4.290 231 HH TYR 31 HH TYR 31 -4.498 -3.844 -5.884 232 H ASP 32 H ASP 32 -4.945 4.364 -2.733 233 HA ASP 32 HA ASP 32 -4.830 4.734 -5.683 234 1HB ASP 32 2HB ASP 32 -6.091 6.533 -4.205 235 2HB ASP 32 3HB ASP 32 -4.463 7.014 -3.719 236 H ILE 33 H ILE 33 -2.733 5.835 -6.269 237 HA ILE 33 HA ILE 33 -0.429 4.778 -4.679 238 HB ILE 33 HB ILE 33 -1.305 4.185 -7.516 239 1HG1 ILE 33 2HG1 ILE 33 -0.240 2.098 -5.630 240 2HG1 ILE 33 3HG1 ILE 33 -1.848 2.723 -5.280 241 1HG2 ILE 33 1HG2 ILE 33 0.907 2.950 -7.687 242 2HG2 ILE 33 2HG2 ILE 33 0.987 4.711 -7.760 243 3HG2 ILE 33 3HG2 ILE 33 1.426 3.871 -6.253 244 1HD1 ILE 33 1HD1 ILE 33 -1.131 1.639 -8.025 245 2HD1 ILE 33 2HD1 ILE 33 -1.996 0.745 -6.771 246 3HD1 ILE 33 3HD1 ILE 33 -2.730 2.188 -7.453 247 H ASP 34 H ASP 34 0.599 6.687 -4.269 248 HA ASP 34 HA ASP 34 0.799 8.723 -6.434 249 1HB ASP 34 2HB ASP 34 2.178 8.850 -3.763 250 2HB ASP 34 3HB ASP 34 1.950 10.072 -5.005 251 H LEU 35 H LEU 35 2.079 7.689 -7.973 252 HA LEU 35 HA LEU 35 4.556 6.334 -7.313 253 1HB LEU 35 2HB LEU 35 3.220 7.347 -9.798 254 2HB LEU 35 3HB LEU 35 4.971 7.165 -9.843 255 HG LEU 35 HG LEU 35 3.311 4.888 -8.749 256 1HD1 LEU 35 1HD1 LEU 35 2.135 5.443 -10.832 257 2HD1 LEU 35 2HD1 LEU 35 3.675 5.437 -11.725 258 3HD1 LEU 35 3HD1 LEU 35 3.051 3.934 -11.016 259 1HD2 LEU 35 1HD2 LEU 35 5.767 4.867 -10.569 260 2HD2 LEU 35 2HD2 LEU 35 5.863 4.888 -8.808 261 3HD2 LEU 35 3HD2 LEU 35 5.119 3.509 -9.634 262 HA PRO 36 HA PRO 36 6.704 10.509 -8.354 263 1HB PRO 36 2HB PRO 36 5.211 12.853 -8.199 264 2HB PRO 36 3HB PRO 36 5.581 11.960 -9.699 265 1HG PRO 36 2HG PRO 36 3.085 11.765 -7.995 266 2HG PRO 36 3HG PRO 36 3.188 11.957 -9.770 267 1HD PRO 36 2HD PRO 36 2.765 9.561 -8.722 268 2HD PRO 36 3HD PRO 36 3.956 9.704 -10.042 269 H ASN 37 H ASN 37 4.040 10.434 -5.986 270 HA ASN 37 HA ASN 37 5.804 11.848 -4.015 271 1HB ASN 37 2HB ASN 37 2.901 11.198 -3.536 272 2HB ASN 37 3HB ASN 37 3.946 12.250 -2.643 273 1HD2 ASN 37 1HD2 ASN 37 4.907 14.189 -3.893 274 2HD2 ASN 37 2HD2 ASN 37 3.834 14.936 -5.065 275 H LYS 38 H LYS 38 5.679 8.787 -5.003 276 HA LYS 38 HA LYS 38 6.107 6.781 -4.036 277 1HB LYS 38 2HB LYS 38 8.084 6.835 -2.757 278 2HB LYS 38 3HB LYS 38 8.170 8.091 -3.949 279 1HG LYS 38 2HG LYS 38 8.000 9.833 -2.437 280 2HG LYS 38 3HG LYS 38 7.224 8.892 -1.184 281 1HD LYS 38 2HD LYS 38 10.144 8.786 -2.001 282 2HD LYS 38 3HD LYS 38 9.458 9.404 -0.498 283 1HE LYS 38 2HE LYS 38 9.846 6.538 -1.386 284 2HE LYS 38 3HE LYS 38 10.326 7.310 0.122 285 1HZ LYS 38 1HZ LYS 38 8.482 5.822 0.420 286 2HZ LYS 38 2HZ LYS 38 7.929 7.326 0.752 287 3HZ LYS 38 3HZ LYS 38 7.560 6.593 -0.676 288 H LYS 39 H LYS 39 3.620 7.001 -3.349 289 HA LYS 39 HA LYS 39 3.490 6.062 -0.583 290 1HB LYS 39 2HB LYS 39 2.083 8.483 -1.740 291 2HB LYS 39 3HB LYS 39 1.439 7.636 -0.373 292 1HG LYS 39 2HG LYS 39 3.098 8.429 1.087 293 2HG LYS 39 3HG LYS 39 4.235 8.714 -0.241 294 1HD LYS 39 2HD LYS 39 3.594 10.854 0.402 295 2HD LYS 39 3HD LYS 39 2.753 10.545 -1.110 296 1HE LYS 39 2HE LYS 39 1.542 10.425 1.700 297 2HE LYS 39 3HE LYS 39 1.327 11.716 0.509 298 1HZ LYS 39 1HZ LYS 39 0.203 10.014 -0.929 299 2HZ LYS 39 2HZ LYS 39 0.278 8.978 0.391 300 3HZ LYS 39 3HZ LYS 39 -0.524 10.307 0.571 301 H VAL 40 H VAL 40 1.360 5.169 -0.081 302 HA VAL 40 HA VAL 40 -0.366 4.436 -2.340 303 HB VAL 40 HB VAL 40 0.656 2.505 -0.197 304 1HG1 VAL 40 1HG1 VAL 40 -1.618 2.065 -1.029 305 2HG1 VAL 40 2HG1 VAL 40 -1.024 2.097 -2.703 306 3HG1 VAL 40 3HG1 VAL 40 -0.488 0.815 -1.587 307 1HG2 VAL 40 1HG2 VAL 40 1.418 2.682 -3.130 308 2HG2 VAL 40 2HG2 VAL 40 2.482 3.012 -1.735 309 3HG2 VAL 40 3HG2 VAL 40 1.874 1.380 -1.998 310 H CYS 41 H CYS 41 -2.426 4.987 -1.696 311 HA CYS 41 HA CYS 41 -2.978 5.408 1.219 312 1HB CYS 41 2HB CYS 41 -4.519 6.666 -1.069 313 2HB CYS 41 3HB CYS 41 -4.446 7.108 0.607 314 HG CYS 41 HG CYS 41 -1.710 7.588 0.294 315 H ILE 42 H ILE 42 -3.999 3.620 1.991 316 HA ILE 42 HA ILE 42 -5.792 2.274 0.083 317 HB ILE 42 HB ILE 42 -4.739 1.144 2.696 318 1HG1 ILE 42 2HG1 ILE 42 -3.416 0.897 -0.032 319 2HG1 ILE 42 3HG1 ILE 42 -2.799 1.803 1.357 320 1HG2 ILE 42 1HG2 ILE 42 -6.640 -0.066 1.856 321 2HG2 ILE 42 2HG2 ILE 42 -6.054 -0.035 0.199 322 3HG2 ILE 42 3HG2 ILE 42 -5.260 -1.054 1.366 323 1HD1 ILE 42 1HD1 ILE 42 -1.587 -0.218 1.117 324 2HD1 ILE 42 2HD1 ILE 42 -2.426 -0.202 2.642 325 3HD1 ILE 42 3HD1 ILE 42 -3.039 -1.189 1.299 326 H GLU 43 H GLU 43 -8.026 1.938 0.596 327 HA GLU 43 HA GLU 43 -8.891 2.835 3.297 328 1HB GLU 43 2HB GLU 43 -9.073 4.751 1.619 329 2HB GLU 43 3HB GLU 43 -10.320 3.815 0.798 330 1HG GLU 43 2HG GLU 43 -11.751 3.894 2.758 331 2HG GLU 43 3HG GLU 43 -10.444 4.525 3.768 332 H SER 44 H SER 44 -9.617 0.952 4.109 333 HA SER 44 HA SER 44 -11.966 -0.154 2.993 334 1HB SER 44 2HB SER 44 -10.346 -1.360 1.517 335 2HB SER 44 3HB SER 44 -9.561 -2.035 2.963 336 HG SER 44 HG SER 44 -11.340 -3.304 1.883 337 H GLU 45 H GLU 45 -12.562 -2.155 4.330 338 HA GLU 45 HA GLU 45 -12.506 -1.392 7.121 339 1HB GLU 45 2HB GLU 45 -13.489 -3.968 5.795 340 2HB GLU 45 3HB GLU 45 -13.861 -3.425 7.437 341 1HG GLU 45 2HG GLU 45 -14.985 -1.402 6.500 342 2HG GLU 45 3HG GLU 45 -14.684 -2.001 4.857 343 H HIS 46 H HIS 46 -10.668 -3.597 5.086 344 HA HIS 46 HA HIS 46 -9.526 -5.334 7.000 345 1HB HIS 46 2HB HIS 46 -8.415 -4.152 4.432 346 2HB HIS 46 3HB HIS 46 -7.551 -5.348 5.398 347 HD1 HIS 46 1HD HIS 46 -8.348 -7.859 5.243 348 HD2 HIS 46 2HD HIS 46 -10.554 -5.057 3.023 349 HE1 HIS 46 1HE HIS 46 -9.675 -9.180 3.520 350 H SER 47 H SER 47 -8.417 -4.861 8.775 351 HA SER 47 HA SER 47 -7.707 -2.332 9.621 352 1HB SER 47 2HB SER 47 -7.982 -4.250 11.129 353 2HB SER 47 3HB SER 47 -6.522 -5.015 10.460 354 HG SER 47 HG SER 47 -6.145 -3.868 12.433 355 H MET 48 H MET 48 -5.800 -1.217 9.920 356 HA MET 48 HA MET 48 -3.816 -1.147 7.983 357 1HB MET 48 2HB MET 48 -2.596 0.323 9.383 358 2HB MET 48 3HB MET 48 -4.318 0.642 9.627 359 1HG MET 48 2HG MET 48 -4.155 -0.977 11.607 360 2HG MET 48 3HG MET 48 -2.389 -0.812 11.441 361 1HE MET 48 1HE MET 48 -2.236 -0.100 13.972 362 2HE MET 48 2HE MET 48 -3.189 1.225 14.681 363 3HE MET 48 3HE MET 48 -4.005 -0.255 14.127 364 H ASP 49 H ASP 49 -3.991 -3.176 10.888 365 HA ASP 49 HA ASP 49 -1.387 -4.354 10.918 366 1HB ASP 49 2HB ASP 49 -2.742 -5.050 12.702 367 2HB ASP 49 3HB ASP 49 -4.202 -5.141 11.712 368 H THR 50 H THR 50 -4.338 -5.579 9.351 369 HA THR 50 HA THR 50 -3.059 -7.689 8.090 370 HB THR 50 HB THR 50 -5.656 -6.448 7.131 371 HG1 THR 50 1HG THR 50 -5.027 -7.439 9.710 372 1HG2 THR 50 1HG2 THR 50 -4.894 -8.616 6.144 373 2HG2 THR 50 2HG2 THR 50 -4.843 -9.321 7.776 374 3HG2 THR 50 3HG2 THR 50 -6.391 -8.795 7.087 375 H LEU 51 H LEU 51 -3.944 -4.426 6.935 376 HA LEU 51 HA LEU 51 -2.975 -4.694 4.254 377 1HB LEU 51 2HB LEU 51 -3.003 -2.279 6.112 378 2HB LEU 51 3HB LEU 51 -2.567 -2.266 4.412 379 HG LEU 51 HG LEU 51 -5.276 -2.588 5.718 380 1HD1 LEU 51 1HD1 LEU 51 -4.248 -1.246 3.215 381 2HD1 LEU 51 2HD1 LEU 51 -5.834 -0.941 3.974 382 3HD1 LEU 51 3HD1 LEU 51 -4.322 -0.447 4.783 383 1HD2 LEU 51 1HD2 LEU 51 -5.293 -4.595 4.304 384 2HD2 LEU 51 2HD2 LEU 51 -6.274 -3.326 3.569 385 3HD2 LEU 51 3HD2 LEU 51 -4.655 -3.660 2.927 386 H LEU 52 H LEU 52 -1.261 -3.684 7.295 387 HA LEU 52 HA LEU 52 1.206 -3.151 6.120 388 1HB LEU 52 2HB LEU 52 0.252 -3.811 8.847 389 2HB LEU 52 3HB LEU 52 1.809 -4.498 8.475 390 HG LEU 52 HG LEU 52 2.384 -2.028 7.657 391 1HD1 LEU 52 1HD1 LEU 52 0.202 -1.577 9.765 392 2HD1 LEU 52 2HD1 LEU 52 1.204 -0.332 9.006 393 3HD1 LEU 52 3HD1 LEU 52 0.006 -1.219 8.043 394 1HD2 LEU 52 1HD2 LEU 52 3.181 -1.574 9.941 395 2HD2 LEU 52 2HD2 LEU 52 2.129 -2.874 10.558 396 3HD2 LEU 52 3HD2 LEU 52 3.471 -3.261 9.458 397 H ALA 53 H ALA 53 0.032 -6.222 7.577 398 HA ALA 53 HA ALA 53 2.277 -7.802 6.949 399 1HB ALA 53 1HB ALA 53 0.494 -8.429 8.564 400 2HB ALA 53 2HB ALA 53 -0.647 -8.658 7.222 401 3HB ALA 53 3HB ALA 53 0.770 -9.720 7.377 402 H THR 54 H THR 54 -0.525 -6.982 4.894 403 HA THR 54 HA THR 54 0.196 -8.736 2.724 404 HB THR 54 HB THR 54 -1.454 -6.170 2.825 405 HG1 THR 54 1HG THR 54 -2.315 -7.734 4.146 406 1HG2 THR 54 1HG2 THR 54 -2.456 -6.944 0.805 407 2HG2 THR 54 2HG2 THR 54 -0.729 -6.731 0.546 408 3HG2 THR 54 3HG2 THR 54 -1.393 -8.375 0.749 409 H LEU 55 H LEU 55 0.719 -5.235 3.377 410 HA LEU 55 HA LEU 55 1.826 -4.741 0.768 411 1HB LEU 55 2HB LEU 55 1.190 -3.267 3.244 412 2HB LEU 55 3HB LEU 55 2.596 -2.621 2.391 413 HG LEU 55 HG LEU 55 -0.246 -2.710 1.436 414 1HD1 LEU 55 1HD1 LEU 55 0.129 -0.915 2.951 415 2HD1 LEU 55 2HD1 LEU 55 1.783 -0.628 2.395 416 3HD1 LEU 55 3HD1 LEU 55 0.463 -0.148 1.378 417 1HD2 LEU 55 1HD2 LEU 55 1.112 -3.126 -0.534 418 2HD2 LEU 55 2HD2 LEU 55 0.622 -1.430 -0.510 419 3HD2 LEU 55 3HD2 LEU 55 2.283 -1.868 -0.047 420 H LYS 56 H LYS 56 3.216 -5.388 3.985 421 HA LYS 56 HA LYS 56 5.927 -4.963 3.486 422 1HB LYS 56 2HB LYS 56 4.290 -6.634 5.355 423 2HB LYS 56 3HB LYS 56 5.913 -7.205 5.093 424 1HG LYS 56 2HG LYS 56 5.892 -5.770 6.964 425 2HG LYS 56 3HG LYS 56 6.878 -5.050 5.673 426 1HD LYS 56 2HD LYS 56 4.767 -3.633 5.107 427 2HD LYS 56 3HD LYS 56 4.104 -4.196 6.638 428 1HE LYS 56 2HE LYS 56 6.684 -2.596 6.209 429 2HE LYS 56 3HE LYS 56 5.160 -1.967 6.839 430 1HZ LYS 56 1HZ LYS 56 6.876 -3.978 8.143 431 2HZ LYS 56 2HZ LYS 56 6.717 -2.403 8.577 432 3HZ LYS 56 3HZ LYS 56 5.444 -3.428 8.745 433 H LYS 57 H LYS 57 3.922 -7.560 2.128 434 HA LYS 57 HA LYS 57 6.120 -9.332 1.589 435 1HB LYS 57 2HB LYS 57 3.484 -9.128 0.095 436 2HB LYS 57 3HB LYS 57 4.626 -10.483 0.087 437 1HG LYS 57 2HG LYS 57 4.319 -10.618 2.622 438 2HG LYS 57 3HG LYS 57 2.986 -9.466 2.430 439 1HD LYS 57 2HD LYS 57 2.101 -11.169 0.625 440 2HD LYS 57 3HD LYS 57 3.199 -12.308 1.404 441 1HE LYS 57 2HE LYS 57 0.689 -10.977 2.465 442 2HE LYS 57 3HE LYS 57 1.127 -12.686 2.472 443 1HZ LYS 57 1HZ LYS 57 2.827 -12.071 4.168 444 2HZ LYS 57 2HZ LYS 57 2.184 -10.543 4.206 445 3HZ LYS 57 3HZ LYS 57 1.273 -11.824 4.654 446 H THR 58 H THR 58 5.284 -6.309 0.123 447 HA THR 58 HA THR 58 6.620 -6.694 -2.473 448 HB THR 58 HB THR 58 6.422 -4.372 -2.670 449 HG1 THR 58 1HG THR 58 5.533 -4.162 0.021 450 1HG2 THR 58 1HG2 THR 58 4.014 -5.491 -1.238 451 2HG2 THR 58 2HG2 THR 58 4.042 -3.959 -2.064 452 3HG2 THR 58 3HG2 THR 58 4.347 -5.459 -2.981 453 H GLY 59 H GLY 59 7.611 -6.130 0.828 454 1HA GLY 59 2HA GLY 59 9.476 -5.639 1.819 455 2HA GLY 59 3HA GLY 59 10.339 -6.562 0.560 456 H LYS 60 H LYS 60 8.455 -3.579 0.069 457 HA LYS 60 HA LYS 60 10.813 -2.144 -0.977 458 1HB LYS 60 2HB LYS 60 7.971 -1.221 -0.448 459 2HB LYS 60 3HB LYS 60 9.128 -0.366 -1.437 460 1HG LYS 60 2HG LYS 60 7.928 -3.072 -2.048 461 2HG LYS 60 3HG LYS 60 7.483 -1.556 -2.829 462 1HD LYS 60 2HD LYS 60 10.000 -3.234 -3.100 463 2HD LYS 60 3HD LYS 60 8.814 -2.808 -4.336 464 1HE LYS 60 2HE LYS 60 9.443 -0.310 -3.826 465 2HE LYS 60 3HE LYS 60 10.838 -0.957 -2.949 466 1HZ LYS 60 1HZ LYS 60 10.316 -0.968 -5.825 467 2HZ LYS 60 2HZ LYS 60 11.521 -0.322 -4.939 468 3HZ LYS 60 3HZ LYS 60 11.480 -1.966 -5.134 469 H THR 61 H THR 61 10.954 0.266 -0.153 470 HA THR 61 HA THR 61 11.118 0.393 2.712 471 HB THR 61 HB THR 61 11.110 2.677 0.816 472 HG1 THR 61 1HG THR 61 13.215 0.844 1.276 473 1HG2 THR 61 1HG2 THR 61 12.738 2.128 3.344 474 2HG2 THR 61 2HG2 THR 61 12.842 3.592 2.345 475 3HG2 THR 61 3HG2 THR 61 11.348 3.230 3.229 476 H VAL 62 H VAL 62 8.782 -0.471 2.686 477 HA VAL 62 HA VAL 62 6.708 1.616 2.471 478 HB VAL 62 HB VAL 62 5.937 -0.374 1.609 479 1HG1 VAL 62 1HG1 VAL 62 6.949 -1.798 4.083 480 2HG1 VAL 62 2HG1 VAL 62 5.805 -2.502 2.918 481 3HG1 VAL 62 3HG1 VAL 62 7.431 -2.063 2.392 482 1HG2 VAL 62 1HG2 VAL 62 4.812 -0.332 4.441 483 2HG2 VAL 62 2HG2 VAL 62 4.379 0.835 3.173 484 3HG2 VAL 62 3HG2 VAL 62 4.024 -0.885 2.957 485 H SER 63 H SER 63 5.991 2.822 4.135 486 HA SER 63 HA SER 63 6.188 1.810 6.891 487 1HB SER 63 2HB SER 63 7.513 4.389 5.951 488 2HB SER 63 3HB SER 63 7.202 3.987 7.652 489 HG SER 63 HG SER 63 8.430 1.951 6.263 490 H TYR 64 H TYR 64 4.640 2.693 8.215 491 HA TYR 64 HA TYR 64 2.265 3.522 6.732 492 1HB TYR 64 2HB TYR 64 2.239 1.551 8.136 493 2HB TYR 64 3HB TYR 64 2.809 2.471 9.528 494 HD1 TYR 64 HD1 TYR 64 -0.004 2.773 7.013 495 HD2 TYR 64 HD2 TYR 64 1.177 2.830 11.164 496 HE1 TYR 64 HE1 TYR 64 -2.285 3.372 7.667 497 HE2 TYR 64 HE2 TYR 64 -1.152 3.362 11.813 498 HH TYR 64 HH TYR 64 -3.615 4.181 9.393 499 H LEU 65 H LEU 65 1.004 5.312 7.181 500 HA LEU 65 HA LEU 65 2.091 7.437 8.964 501 1HB LEU 65 2HB LEU 65 0.709 7.653 6.288 502 2HB LEU 65 3HB LEU 65 0.893 8.982 7.431 503 HG LEU 65 HG LEU 65 3.463 8.221 7.446 504 1HD1 LEU 65 1HD1 LEU 65 2.527 7.448 4.653 505 2HD1 LEU 65 2HD1 LEU 65 4.205 7.520 5.258 506 3HD1 LEU 65 3HD1 LEU 65 3.094 6.310 5.891 507 1HD2 LEU 65 1HD2 LEU 65 2.640 10.413 6.920 508 2HD2 LEU 65 2HD2 LEU 65 3.854 9.922 5.716 509 3HD2 LEU 65 3HD2 LEU 65 2.120 9.881 5.297 510 H GLY 66 H GLY 66 0.068 9.030 9.359 511 1HA GLY 66 2HA GLY 66 -1.411 7.760 11.328 512 2HA GLY 66 3HA GLY 66 -1.787 9.346 10.639 513 H LEU 67 H LEU 67 -3.709 7.662 11.645 514 HA LEU 67 HA LEU 67 -5.134 6.230 9.551 515 1HB LEU 67 2HB LEU 67 -5.174 5.520 11.926 516 2HB LEU 67 3HB LEU 67 -5.817 7.096 12.394 517 HG LEU 67 HG LEU 67 -7.909 6.601 11.073 518 1HD1 LEU 67 1HD1 LEU 67 -7.043 4.903 9.532 519 2HD1 LEU 67 2HD1 LEU 67 -6.638 3.830 10.892 520 3HD1 LEU 67 3HD1 LEU 67 -8.336 4.218 10.512 521 1HD2 LEU 67 1HD2 LEU 67 -8.841 5.027 12.690 522 2HD2 LEU 67 2HD2 LEU 67 -7.211 4.591 13.245 523 3HD2 LEU 67 3HD2 LEU 67 -7.833 6.239 13.504 524 H GLU 68 H GLU 68 -6.843 7.029 8.372 525 HA GLU 68 HA GLU 68 -8.555 8.864 9.656 526 1HB GLU 68 2HB GLU 68 -7.165 10.435 8.160 527 2HB GLU 68 3HB GLU 68 -7.969 9.681 6.782 528 1HG GLU 68 2HG GLU 68 -9.431 11.008 9.131 529 2HG GLU 68 3HG GLU 68 -8.953 11.868 7.671 Start of MODEL 10 1 1H MET 1 H1 MET 1 -13.775 6.100 3.977 2 2H MET 1 H2 MET 1 -15.385 5.964 4.288 3 3H MET 1 H3 MET 1 -14.406 6.993 5.173 4 HA MET 1 HA MET 1 -14.882 4.969 6.433 5 1HB MET 1 2HB MET 1 -13.590 3.851 3.925 6 2HB MET 1 3HB MET 1 -13.390 2.980 5.431 7 1HG MET 1 2HG MET 1 -15.809 2.765 5.684 8 2HG MET 1 3HG MET 1 -16.083 3.742 4.229 9 1HE MET 1 1HE MET 1 -17.723 1.838 3.345 10 2HE MET 1 2HE MET 1 -17.242 0.125 3.253 11 3HE MET 1 3HE MET 1 -17.377 0.923 4.833 12 HA PRO 2 HA PRO 2 -10.845 5.912 8.170 13 1HB PRO 2 2HB PRO 2 -9.952 3.513 9.214 14 2HB PRO 2 3HB PRO 2 -11.150 4.570 10.026 15 1HG PRO 2 2HG PRO 2 -11.663 2.151 8.262 16 2HG PRO 2 3HG PRO 2 -12.407 2.519 9.848 17 1HD PRO 2 2HD PRO 2 -13.728 3.068 7.580 18 2HD PRO 2 3HD PRO 2 -13.731 4.269 8.893 19 H LYS 3 H LYS 3 -8.605 5.646 7.620 20 HA LYS 3 HA LYS 3 -7.955 3.867 5.354 21 1HB LYS 3 2HB LYS 3 -7.321 5.765 3.904 22 2HB LYS 3 3HB LYS 3 -9.018 5.801 4.345 23 1HG LYS 3 2HG LYS 3 -8.213 7.477 6.222 24 2HG LYS 3 3HG LYS 3 -6.722 7.542 5.291 25 1HD LYS 3 2HD LYS 3 -7.978 9.341 4.411 26 2HD LYS 3 3HD LYS 3 -8.219 8.042 3.229 27 1HE LYS 3 2HE LYS 3 -10.352 9.061 3.607 28 2HE LYS 3 3HE LYS 3 -10.419 7.488 4.390 29 1HZ LYS 3 1HZ LYS 3 -9.997 8.608 6.522 30 2HZ LYS 3 2HZ LYS 3 -9.852 10.026 5.771 31 3HZ LYS 3 3HZ LYS 3 -11.305 9.262 5.807 32 H HIS 4 H HIS 4 -5.684 4.212 4.636 33 HA HIS 4 HA HIS 4 -3.791 4.980 6.802 34 1HB HIS 4 2HB HIS 4 -4.424 2.178 5.854 35 2HB HIS 4 3HB HIS 4 -2.729 2.599 5.907 36 HD1 HIS 4 1HD HIS 4 -5.297 3.809 8.523 37 HD2 HIS 4 2HD HIS 4 -1.881 1.398 8.025 38 HE1 HIS 4 1HE HIS 4 -4.550 3.073 10.862 39 H GLU 5 H GLU 5 -2.239 6.232 5.890 40 HA GLU 5 HA GLU 5 -1.612 5.892 3.007 41 1HB GLU 5 2HB GLU 5 -1.522 8.185 3.837 42 2HB GLU 5 3HB GLU 5 -0.441 7.713 5.128 43 1HG GLU 5 2HG GLU 5 1.256 7.023 3.368 44 2HG GLU 5 3HG GLU 5 0.131 7.589 2.122 45 H PHE 6 H PHE 6 0.300 4.899 2.405 46 HA PHE 6 HA PHE 6 2.248 4.189 4.470 47 1HB PHE 6 2HB PHE 6 1.317 2.311 2.251 48 2HB PHE 6 3HB PHE 6 2.891 2.174 3.015 49 HD1 PHE 6 1HD PHE 6 3.122 0.508 4.643 50 HD2 PHE 6 2HD PHE 6 -0.776 2.321 4.133 51 HE1 PHE 6 1HE PHE 6 2.072 -1.516 5.392 52 HE2 PHE 6 2HE PHE 6 -1.780 0.417 5.294 53 HZ PHE 6 HZ PHE 6 -0.440 -1.623 5.650 54 H SER 7 H SER 7 4.164 5.020 3.842 55 HA SER 7 HA SER 7 4.357 6.081 1.051 56 1HB SER 7 2HB SER 7 4.882 7.673 2.902 57 2HB SER 7 3HB SER 7 6.250 6.622 3.343 58 HG SER 7 HG SER 7 7.070 6.983 1.217 59 H VAL 8 H VAL 8 5.974 5.280 -0.295 60 HA VAL 8 HA VAL 8 7.220 2.705 0.509 61 HB VAL 8 HB VAL 8 5.473 3.173 -1.942 62 1HG1 VAL 8 1HG1 VAL 8 5.542 0.602 -1.999 63 2HG1 VAL 8 2HG1 VAL 8 7.010 1.419 -2.479 64 3HG1 VAL 8 3HG1 VAL 8 6.896 0.704 -0.858 65 1HG2 VAL 8 1HG2 VAL 8 4.854 1.795 0.690 66 2HG2 VAL 8 2HG2 VAL 8 3.970 3.134 -0.072 67 3HG2 VAL 8 3HG2 VAL 8 3.917 1.522 -0.781 68 H ASP 9 H ASP 9 8.710 1.997 -1.321 69 HA ASP 9 HA ASP 9 9.930 4.290 -2.820 70 1HB ASP 9 2HB ASP 9 11.736 3.072 -1.992 71 2HB ASP 9 3HB ASP 9 10.901 1.517 -2.153 72 H MET 10 H MET 10 8.497 4.663 -4.409 73 HA MET 10 HA MET 10 8.088 2.428 -6.294 74 1HB MET 10 2HB MET 10 6.315 4.885 -6.163 75 2HB MET 10 3HB MET 10 6.198 3.532 -7.287 76 1HG MET 10 2HG MET 10 5.513 2.036 -5.534 77 2HG MET 10 3HG MET 10 5.793 3.282 -4.299 78 1HE MET 10 1HE MET 10 1.892 2.998 -4.355 79 2HE MET 10 2HE MET 10 3.009 1.650 -4.677 80 3HE MET 10 3HE MET 10 3.377 2.824 -3.383 81 H THR 11 H THR 11 10.525 3.259 -6.488 82 HA THR 11 HA THR 11 10.856 5.687 -7.903 83 HB THR 11 HB THR 11 12.640 3.236 -7.735 84 HG1 THR 11 1HG THR 11 12.260 4.210 -5.776 85 1HG2 THR 11 1HG2 THR 11 13.474 4.557 -9.618 86 2HG2 THR 11 2HG2 THR 11 13.275 6.065 -8.689 87 3HG2 THR 11 3HG2 THR 11 14.490 4.865 -8.205 88 H CYS 12 HN CYS 12 9.495 2.723 -9.222 89 HA CYS 12 HA CYS 12 9.190 4.290 -11.652 90 1HB CYS 12 2HB CYS 12 9.888 2.645 -13.226 91 2HB CYS 12 3HB CYS 12 11.224 2.866 -12.102 92 H GLY 13 H GLY 13 7.558 3.295 -13.072 93 1HA GLY 13 2HA GLY 13 5.109 2.771 -11.887 94 2HA GLY 13 3HA GLY 13 5.563 2.278 -13.522 95 H GLY 14 H GLY 14 7.674 0.447 -12.756 96 1HA GLY 14 2HA GLY 14 6.161 -1.914 -12.501 97 2HA GLY 14 3HA GLY 14 7.929 -1.768 -12.324 98 H CYS 15 HN CYS 15 7.763 0.118 -10.013 99 HA CYS 15 HA CYS 15 7.536 -1.825 -7.872 100 1HB CYS 15 2HB CYS 15 7.587 1.188 -7.906 101 2HB CYS 15 3HB CYS 15 7.729 0.188 -6.448 102 H ALA 16 H ALA 16 5.497 0.864 -9.110 103 HA ALA 16 HA ALA 16 3.397 0.578 -7.198 104 1HB ALA 16 1HB ALA 16 2.003 1.789 -8.823 105 2HB ALA 16 2HB ALA 16 3.572 2.567 -8.562 106 3HB ALA 16 3HB ALA 16 3.270 1.638 -10.049 107 H GLU 17 H GLU 17 3.861 -0.910 -10.457 108 HA GLU 17 HA GLU 17 1.612 -2.526 -10.546 109 1HB GLU 17 2HB GLU 17 3.518 -2.272 -12.290 110 2HB GLU 17 3HB GLU 17 4.380 -3.503 -11.355 111 1HG GLU 17 2HG GLU 17 1.999 -4.776 -11.584 112 2HG GLU 17 3HG GLU 17 1.921 -3.710 -12.998 113 H ALA 18 H ALA 18 4.824 -3.384 -9.111 114 HA ALA 18 HA ALA 18 4.095 -5.926 -8.161 115 1HB ALA 18 1HB ALA 18 6.067 -3.957 -6.917 116 2HB ALA 18 2HB ALA 18 6.027 -5.708 -6.648 117 3HB ALA 18 3HB ALA 18 6.426 -5.067 -8.260 118 H VAL 19 H VAL 19 3.965 -2.755 -6.404 119 HA VAL 19 HA VAL 19 2.976 -3.733 -3.963 120 HB VAL 19 HB VAL 19 2.598 -1.092 -5.448 121 1HG1 VAL 19 1HG1 VAL 19 1.762 -2.090 -2.749 122 2HG1 VAL 19 2HG1 VAL 19 2.047 -0.347 -3.065 123 3HG1 VAL 19 3HG1 VAL 19 0.781 -1.216 -3.962 124 1HG2 VAL 19 1HG2 VAL 19 4.350 -0.252 -4.088 125 2HG2 VAL 19 2HG2 VAL 19 4.295 -1.630 -2.987 126 3HG2 VAL 19 3HG2 VAL 19 4.972 -1.824 -4.610 127 H SER 20 H SER 20 1.274 -2.600 -6.886 128 HA SER 20 HA SER 20 -1.369 -2.921 -5.946 129 1HB SER 20 2HB SER 20 -0.420 -1.829 -8.137 130 2HB SER 20 3HB SER 20 -0.485 -3.438 -8.842 131 HG SER 20 HG SER 20 -2.387 -2.217 -9.240 132 H ARG 21 H ARG 21 0.662 -5.193 -7.786 133 HA ARG 21 HA ARG 21 -1.098 -7.366 -7.816 134 1HB ARG 21 2HB ARG 21 0.521 -8.201 -8.990 135 2HB ARG 21 3HB ARG 21 1.501 -6.812 -8.659 136 1HG ARG 21 2HG ARG 21 2.589 -7.944 -6.767 137 2HG ARG 21 3HG ARG 21 1.554 -9.358 -7.001 138 1HD ARG 21 2HD ARG 21 2.446 -9.605 -9.320 139 2HD ARG 21 3HD ARG 21 3.381 -8.107 -9.114 140 HE ARG 21 HE ARG 21 4.056 -10.038 -7.090 141 1HH1 ARG 21 2HH2 ARG 21 4.583 -9.192 -10.484 142 2HH1 ARG 21 1HH2 ARG 21 6.086 -10.037 -10.638 143 1HH2 ARG 21 2HH1 ARG 21 6.079 -11.169 -7.250 144 2HH2 ARG 21 1HH1 ARG 21 6.960 -11.183 -8.743 145 H VAL 22 H VAL 22 1.180 -6.409 -5.228 146 HA VAL 22 HA VAL 22 0.760 -8.701 -3.559 147 HB VAL 22 HB VAL 22 2.219 -6.176 -3.553 148 1HG1 VAL 22 1HG1 VAL 22 2.327 -5.858 -1.093 149 2HG1 VAL 22 2HG1 VAL 22 0.828 -5.331 -1.845 150 3HG1 VAL 22 3HG1 VAL 22 0.888 -6.861 -0.918 151 1HG2 VAL 22 1HG2 VAL 22 2.628 -8.647 -1.885 152 2HG2 VAL 22 2HG2 VAL 22 3.249 -8.368 -3.537 153 3HG2 VAL 22 3HG2 VAL 22 3.780 -7.325 -2.205 154 H LEU 23 H LEU 23 -0.693 -5.453 -3.663 155 HA LEU 23 HA LEU 23 -2.553 -6.014 -1.491 156 1HB LEU 23 2HB LEU 23 -2.007 -3.764 -3.404 157 2HB LEU 23 3HB LEU 23 -3.549 -3.764 -2.623 158 HG LEU 23 HG LEU 23 -0.770 -3.750 -1.326 159 1HD1 LEU 23 1HD1 LEU 23 -3.045 -1.732 -1.341 160 2HD1 LEU 23 2HD1 LEU 23 -1.472 -1.559 -0.516 161 3HD1 LEU 23 3HD1 LEU 23 -1.535 -1.600 -2.290 162 1HD2 LEU 23 1HD2 LEU 23 -3.535 -4.099 -0.222 163 2HD2 LEU 23 2HD2 LEU 23 -2.041 -4.949 0.263 164 3HD2 LEU 23 3HD2 LEU 23 -2.311 -3.279 0.777 165 H ASN 24 H ASN 24 -2.692 -6.478 -4.975 166 HA ASN 24 HA ASN 24 -5.530 -6.927 -5.089 167 1HB ASN 24 2HB ASN 24 -4.188 -6.503 -7.103 168 2HB ASN 24 3HB ASN 24 -3.294 -8.006 -6.847 169 1HD2 ASN 24 1HD2 ASN 24 -6.567 -8.608 -5.932 170 2HD2 ASN 24 2HD2 ASN 24 -7.051 -9.240 -7.490 171 H LYS 25 H LYS 25 -2.645 -9.022 -4.488 172 HA LYS 25 HA LYS 25 -4.084 -11.388 -4.005 173 1HB LYS 25 2HB LYS 25 -1.398 -10.385 -3.554 174 2HB LYS 25 3HB LYS 25 -1.909 -11.318 -2.171 175 1HG LYS 25 2HG LYS 25 -2.110 -12.300 -5.069 176 2HG LYS 25 3HG LYS 25 -0.674 -12.461 -4.077 177 1HD LYS 25 2HD LYS 25 -1.620 -14.519 -3.921 178 2HD LYS 25 3HD LYS 25 -2.002 -13.791 -2.372 179 1HE LYS 25 2HE LYS 25 -4.065 -13.634 -4.611 180 2HE LYS 25 3HE LYS 25 -3.727 -15.219 -3.928 181 1HZ LYS 25 1HZ LYS 25 -4.634 -12.924 -2.320 182 2HZ LYS 25 2HZ LYS 25 -5.550 -14.179 -2.817 183 3HZ LYS 25 3HZ LYS 25 -4.314 -14.431 -1.767 184 H LEU 26 H LEU 26 -3.666 -8.538 -1.865 185 HA LEU 26 HA LEU 26 -5.018 -9.710 0.395 186 1HB LEU 26 2HB LEU 26 -3.702 -7.442 0.203 187 2HB LEU 26 3HB LEU 26 -5.228 -6.789 -0.387 188 HG LEU 26 HG LEU 26 -5.183 -6.217 1.811 189 1HD1 LEU 26 1HD1 LEU 26 -7.328 -7.325 1.011 190 2HD1 LEU 26 2HD1 LEU 26 -6.835 -8.743 1.968 191 3HD1 LEU 26 3HD1 LEU 26 -7.107 -7.181 2.765 192 1HD2 LEU 26 1HD2 LEU 26 -3.400 -7.546 2.638 193 2HD2 LEU 26 2HD2 LEU 26 -4.807 -7.798 3.677 194 3HD2 LEU 26 3HD2 LEU 26 -4.343 -9.053 2.512 195 H GLY 27 H GLY 27 -6.151 -7.673 -2.347 196 1HA GLY 27 2HA GLY 27 -7.959 -8.083 -3.720 197 2HA GLY 27 3HA GLY 27 -8.488 -9.406 -2.680 198 H GLY 28 H GLY 28 -9.096 -8.358 -0.307 199 1HA GLY 28 2HA GLY 28 -11.553 -6.928 -0.871 200 2HA GLY 28 3HA GLY 28 -10.947 -7.411 0.717 201 H VAL 29 H VAL 29 -9.396 -5.220 -1.649 202 HA VAL 29 HA VAL 29 -9.213 -3.112 0.463 203 HB VAL 29 HB VAL 29 -7.061 -2.526 -0.696 204 1HG1 VAL 29 1HG1 VAL 29 -7.253 -5.312 0.464 205 2HG1 VAL 29 2HG1 VAL 29 -5.737 -4.447 0.213 206 3HG1 VAL 29 3HG1 VAL 29 -6.932 -3.811 1.348 207 1HG2 VAL 29 1HG2 VAL 29 -7.549 -3.846 -2.867 208 2HG2 VAL 29 2HG2 VAL 29 -5.944 -4.074 -2.133 209 3HG2 VAL 29 3HG2 VAL 29 -7.196 -5.313 -1.924 210 H LYS 30 H LYS 30 -9.288 -0.917 -0.316 211 HA LYS 30 HA LYS 30 -9.111 -0.671 -3.180 212 1HB LYS 30 2HB LYS 30 -11.492 0.224 -2.043 213 2HB LYS 30 3HB LYS 30 -10.483 1.659 -1.953 214 1HG LYS 30 2HG LYS 30 -11.092 0.014 -4.460 215 2HG LYS 30 3HG LYS 30 -11.819 1.544 -4.002 216 1HD LYS 30 2HD LYS 30 -10.322 2.557 -5.292 217 2HD LYS 30 3HD LYS 30 -9.122 2.257 -4.055 218 1HE LYS 30 2HE LYS 30 -8.575 0.057 -5.284 219 2HE LYS 30 3HE LYS 30 -9.768 0.522 -6.501 220 1HZ LYS 30 1HZ LYS 30 -7.294 2.004 -5.845 221 2HZ LYS 30 2HZ LYS 30 -7.565 1.108 -7.184 222 3HZ LYS 30 3HZ LYS 30 -8.414 2.493 -6.946 223 H TYR 31 H TYR 31 -7.555 0.904 -3.610 224 HA TYR 31 HA TYR 31 -6.454 2.453 -1.481 225 1HB TYR 31 2HB TYR 31 -4.167 1.470 -1.779 226 2HB TYR 31 3HB TYR 31 -5.314 0.339 -1.057 227 HD1 TYR 31 HD1 TYR 31 -6.505 -1.384 -2.625 228 HD2 TYR 31 HD2 TYR 31 -2.890 0.729 -3.650 229 HE1 TYR 31 HE1 TYR 31 -6.047 -3.023 -4.413 230 HE2 TYR 31 HE2 TYR 31 -2.304 -1.070 -5.222 231 HH TYR 31 HH TYR 31 -4.433 -3.888 -5.835 232 H ASP 32 H ASP 32 -5.351 4.234 -2.348 233 HA ASP 32 HA ASP 32 -5.300 4.398 -5.331 234 1HB ASP 32 2HB ASP 32 -6.616 6.183 -4.138 235 2HB ASP 32 3HB ASP 32 -5.108 6.715 -3.374 236 H ILE 33 H ILE 33 -3.347 5.486 -6.187 237 HA ILE 33 HA ILE 33 -0.886 4.407 -4.857 238 HB ILE 33 HB ILE 33 -2.163 3.841 -7.556 239 1HG1 ILE 33 2HG1 ILE 33 -1.163 1.810 -5.540 240 2HG1 ILE 33 3HG1 ILE 33 -2.779 2.498 -5.362 241 1HG2 ILE 33 1HG2 ILE 33 -0.158 2.419 -8.005 242 2HG2 ILE 33 2HG2 ILE 33 0.177 4.150 -7.982 243 3HG2 ILE 33 3HG2 ILE 33 0.626 3.150 -6.581 244 1HD1 ILE 33 1HD1 ILE 33 -1.884 0.866 -7.731 245 2HD1 ILE 33 2HD1 ILE 33 -3.220 0.574 -6.597 246 3HD1 ILE 33 3HD1 ILE 33 -3.344 1.897 -7.728 247 H ASP 34 H ASP 34 0.272 6.286 -4.652 248 HA ASP 34 HA ASP 34 0.261 8.226 -6.936 249 1HB ASP 34 2HB ASP 34 -0.337 9.115 -4.704 250 2HB ASP 34 3HB ASP 34 1.275 8.644 -4.127 251 H LEU 35 H LEU 35 1.836 7.817 -8.319 252 HA LEU 35 HA LEU 35 4.247 6.368 -7.599 253 1HB LEU 35 2HB LEU 35 2.996 7.400 -10.102 254 2HB LEU 35 3HB LEU 35 4.758 7.368 -10.084 255 HG LEU 35 HG LEU 35 3.171 4.946 -9.172 256 1HD1 LEU 35 1HD1 LEU 35 3.236 4.014 -11.432 257 2HD1 LEU 35 2HD1 LEU 35 2.287 5.509 -11.409 258 3HD1 LEU 35 3HD1 LEU 35 3.941 5.518 -12.062 259 1HD2 LEU 35 1HD2 LEU 35 5.198 3.721 -9.806 260 2HD2 LEU 35 2HD2 LEU 35 5.875 5.158 -10.588 261 3HD2 LEU 35 3HD2 LEU 35 5.694 5.117 -8.831 262 HA PRO 36 HA PRO 36 6.579 10.429 -8.479 263 1HB PRO 36 2HB PRO 36 5.243 12.861 -8.211 264 2HB PRO 36 3HB PRO 36 5.558 12.007 -9.747 265 1HG PRO 36 2HG PRO 36 3.052 11.913 -8.054 266 2HG PRO 36 3HG PRO 36 3.174 12.147 -9.822 267 1HD PRO 36 2HD PRO 36 2.592 9.748 -8.815 268 2HD PRO 36 3HD PRO 36 3.764 9.850 -10.157 269 H ASN 37 H ASN 37 3.933 10.503 -6.084 270 HA ASN 37 HA ASN 37 5.792 11.660 -4.054 271 1HB ASN 37 2HB ASN 37 2.876 10.973 -3.723 272 2HB ASN 37 3HB ASN 37 3.955 11.662 -2.522 273 1HD2 ASN 37 1HD2 ASN 37 1.768 12.555 -4.985 274 2HD2 ASN 37 2HD2 ASN 37 2.279 14.237 -5.095 275 H LYS 38 H LYS 38 4.952 8.569 -5.265 276 HA LYS 38 HA LYS 38 5.452 6.495 -4.726 277 1HB LYS 38 2HB LYS 38 7.576 7.804 -2.955 278 2HB LYS 38 3HB LYS 38 7.390 6.095 -3.297 279 1HG LYS 38 2HG LYS 38 9.068 6.594 -4.699 280 2HG LYS 38 3HG LYS 38 7.646 6.570 -5.743 281 1HD LYS 38 2HD LYS 38 9.260 8.225 -6.359 282 2HD LYS 38 3HD LYS 38 7.717 8.951 -5.997 283 1HE LYS 38 2HE LYS 38 9.831 8.839 -3.814 284 2HE LYS 38 3HE LYS 38 10.024 9.983 -5.151 285 1HZ LYS 38 1HZ LYS 38 7.851 10.841 -4.707 286 2HZ LYS 38 2HZ LYS 38 7.705 9.893 -3.354 287 3HZ LYS 38 3HZ LYS 38 8.870 11.060 -3.426 288 H LYS 39 H LYS 39 3.159 6.540 -3.734 289 HA LYS 39 HA LYS 39 3.251 5.706 -0.924 290 1HB LYS 39 2HB LYS 39 2.012 8.262 -1.985 291 2HB LYS 39 3HB LYS 39 1.184 7.409 -0.694 292 1HG LYS 39 2HG LYS 39 2.788 7.837 0.895 293 2HG LYS 39 3HG LYS 39 4.083 7.856 -0.299 294 1HD LYS 39 2HD LYS 39 3.079 10.064 -1.161 295 2HD LYS 39 3HD LYS 39 2.108 10.064 0.316 296 1HE LYS 39 2HE LYS 39 4.205 11.430 0.464 297 2HE LYS 39 3HE LYS 39 4.093 10.190 1.714 298 1HZ LYS 39 1HZ LYS 39 6.276 10.385 0.608 299 2HZ LYS 39 2HZ LYS 39 5.665 8.875 0.626 300 3HZ LYS 39 3HZ LYS 39 5.621 9.756 -0.776 301 H VAL 40 H VAL 40 1.363 4.749 -0.221 302 HA VAL 40 HA VAL 40 -0.676 4.007 -2.248 303 HB VAL 40 HB VAL 40 0.259 2.392 0.175 304 1HG1 VAL 40 1HG1 VAL 40 -2.097 2.023 -0.406 305 2HG1 VAL 40 2HG1 VAL 40 -1.649 1.773 -2.111 306 3HG1 VAL 40 3HG1 VAL 40 -1.127 0.612 -0.878 307 1HG2 VAL 40 1HG2 VAL 40 1.979 2.356 -1.637 308 2HG2 VAL 40 2HG2 VAL 40 1.211 0.793 -1.344 309 3HG2 VAL 40 3HG2 VAL 40 0.729 1.762 -2.758 310 H CYS 41 H CYS 41 -2.757 4.566 -1.502 311 HA CYS 41 HA CYS 41 -3.112 5.333 1.385 312 1HB CYS 41 2HB CYS 41 -4.375 6.504 -1.119 313 2HB CYS 41 3HB CYS 41 -4.854 6.876 0.542 314 HG CYS 41 HG CYS 41 -2.465 7.709 1.322 315 H ILE 42 H ILE 42 -3.863 3.478 2.134 316 HA ILE 42 HA ILE 42 -5.766 1.954 0.573 317 HB ILE 42 HB ILE 42 -4.337 1.665 3.236 318 1HG1 ILE 42 2HG1 ILE 42 -4.408 -0.615 1.328 319 2HG1 ILE 42 3HG1 ILE 42 -3.692 0.830 0.664 320 1HG2 ILE 42 1HG2 ILE 42 -5.446 -0.428 3.761 321 2HG2 ILE 42 2HG2 ILE 42 -6.605 0.863 3.765 322 3HG2 ILE 42 3HG2 ILE 42 -6.545 -0.238 2.372 323 1HD1 ILE 42 1HD1 ILE 42 -1.996 0.964 2.326 324 2HD1 ILE 42 2HD1 ILE 42 -2.762 -0.285 3.323 325 3HD1 ILE 42 3HD1 ILE 42 -2.042 -0.718 1.767 326 H GLU 43 H GLU 43 -7.980 1.830 0.945 327 HA GLU 43 HA GLU 43 -9.078 2.788 3.479 328 1HB GLU 43 2HB GLU 43 -9.090 4.803 2.003 329 2HB GLU 43 3HB GLU 43 -10.104 3.938 0.842 330 1HG GLU 43 2HG GLU 43 -11.879 3.697 2.482 331 2HG GLU 43 3HG GLU 43 -10.862 4.361 3.773 332 H SER 44 H SER 44 -10.157 0.973 4.115 333 HA SER 44 HA SER 44 -12.351 0.033 2.555 334 1HB SER 44 2HB SER 44 -10.205 -1.381 1.794 335 2HB SER 44 3HB SER 44 -10.455 -2.149 3.353 336 HG SER 44 HG SER 44 -11.561 -3.282 1.737 337 H GLU 45 H GLU 45 -13.632 -1.503 3.943 338 HA GLU 45 HA GLU 45 -13.389 -0.758 6.770 339 1HB GLU 45 2HB GLU 45 -15.525 -0.819 5.375 340 2HB GLU 45 3HB GLU 45 -15.480 -2.579 5.518 341 1HG GLU 45 2HG GLU 45 -15.558 -2.350 7.993 342 2HG GLU 45 3HG GLU 45 -15.525 -0.583 7.838 343 H HIS 46 H HIS 46 -11.142 -1.971 6.512 344 HA HIS 46 HA HIS 46 -11.522 -4.499 8.009 345 1HB HIS 46 2HB HIS 46 -9.917 -5.737 6.616 346 2HB HIS 46 3HB HIS 46 -11.343 -5.266 5.690 347 HD1 HIS 46 1HD HIS 46 -8.674 -2.569 6.178 348 HD2 HIS 46 2HD HIS 46 -9.877 -5.524 3.421 349 HE1 HIS 46 1HE HIS 46 -7.460 -2.075 4.003 350 H SER 47 H SER 47 -9.355 -5.282 8.897 351 HA SER 47 HA SER 47 -8.165 -3.073 10.249 352 1HB SER 47 2HB SER 47 -8.320 -5.316 11.294 353 2HB SER 47 3HB SER 47 -7.198 -5.960 10.071 354 HG SER 47 HG SER 47 -6.160 -5.365 12.059 355 H MET 48 H MET 48 -6.286 -2.165 10.223 356 HA MET 48 HA MET 48 -4.718 -2.021 7.806 357 1HB MET 48 2HB MET 48 -3.235 -0.603 9.175 358 2HB MET 48 3HB MET 48 -4.890 -0.001 8.972 359 1HG MET 48 2HG MET 48 -4.268 -1.641 11.399 360 2HG MET 48 3HG MET 48 -3.626 -0.002 11.336 361 1HE MET 48 1HE MET 48 -5.572 -1.133 13.612 362 2HE MET 48 2HE MET 48 -4.870 0.506 13.613 363 3HE MET 48 3HE MET 48 -6.621 0.287 13.841 364 H ASP 49 H ASP 49 -4.495 -3.923 10.837 365 HA ASP 49 HA ASP 49 -1.651 -4.385 10.734 366 1HB ASP 49 2HB ASP 49 -2.867 -4.956 12.742 367 2HB ASP 49 3HB ASP 49 -3.975 -6.022 11.854 368 H THR 50 H THR 50 -4.365 -6.383 9.644 369 HA THR 50 HA THR 50 -3.236 -8.341 8.140 370 HB THR 50 HB THR 50 -5.656 -6.637 7.377 371 HG1 THR 50 1HG THR 50 -5.291 -8.536 9.437 372 1HG2 THR 50 1HG2 THR 50 -6.655 -8.751 6.679 373 2HG2 THR 50 2HG2 THR 50 -5.149 -8.467 5.794 374 3HG2 THR 50 3HG2 THR 50 -5.179 -9.640 7.130 375 H LEU 51 H LEU 51 -3.675 -4.884 7.181 376 HA LEU 51 HA LEU 51 -2.815 -5.339 4.426 377 1HB LEU 51 2HB LEU 51 -3.303 -2.823 6.111 378 2HB LEU 51 3HB LEU 51 -2.645 -2.819 4.503 379 HG LEU 51 HG LEU 51 -5.326 -2.749 5.247 380 1HD1 LEU 51 1HD1 LEU 51 -4.144 -3.655 2.550 381 2HD1 LEU 51 2HD1 LEU 51 -5.652 -2.743 2.787 382 3HD1 LEU 51 3HD1 LEU 51 -4.101 -1.991 3.131 383 1HD2 LEU 51 1HD2 LEU 51 -4.858 -5.536 4.073 384 2HD2 LEU 51 2HD2 LEU 51 -5.602 -5.134 5.634 385 3HD2 LEU 51 3HD2 LEU 51 -6.382 -4.730 4.125 386 H LEU 52 H LEU 52 -1.375 -3.702 7.250 387 HA LEU 52 HA LEU 52 1.144 -3.175 6.291 388 1HB LEU 52 2HB LEU 52 0.081 -3.861 8.977 389 2HB LEU 52 3HB LEU 52 1.804 -4.068 8.693 390 HG LEU 52 HG LEU 52 1.716 -1.601 7.788 391 1HD1 LEU 52 1HD1 LEU 52 -0.045 -0.226 8.782 392 2HD1 LEU 52 2HD1 LEU 52 -0.816 -1.507 7.831 393 3HD1 LEU 52 3HD1 LEU 52 -0.751 -1.637 9.594 394 1HD2 LEU 52 1HD2 LEU 52 2.900 -2.283 9.790 395 2HD2 LEU 52 2HD2 LEU 52 2.051 -0.750 10.070 396 3HD2 LEU 52 3HD2 LEU 52 1.390 -2.264 10.730 397 H ALA 53 H ALA 53 0.250 -6.247 7.909 398 HA ALA 53 HA ALA 53 2.742 -7.507 7.454 399 1HB ALA 53 1HB ALA 53 1.036 -8.265 9.099 400 2HB ALA 53 2HB ALA 53 -0.032 -8.760 7.768 401 3HB ALA 53 3HB ALA 53 1.520 -9.590 8.021 402 H THR 54 H THR 54 0.084 -7.021 5.143 403 HA THR 54 HA THR 54 1.186 -9.004 3.298 404 HB THR 54 HB THR 54 -1.098 -7.018 2.993 405 HG1 THR 54 1HG THR 54 -1.659 -8.448 4.575 406 1HG2 THR 54 1HG2 THR 54 -1.744 -8.654 1.211 407 2HG2 THR 54 2HG2 THR 54 -0.226 -7.801 0.868 408 3HG2 THR 54 3HG2 THR 54 -0.188 -9.482 1.461 409 H LEU 55 H LEU 55 0.961 -5.374 3.650 410 HA LEU 55 HA LEU 55 1.991 -4.927 1.059 411 1HB LEU 55 2HB LEU 55 0.776 -3.445 3.149 412 2HB LEU 55 3HB LEU 55 2.364 -2.685 2.885 413 HG LEU 55 HG LEU 55 0.059 -3.055 1.006 414 1HD1 LEU 55 1HD1 LEU 55 1.625 -0.609 1.980 415 2HD1 LEU 55 2HD1 LEU 55 0.193 -0.565 0.942 416 3HD1 LEU 55 3HD1 LEU 55 0.058 -1.142 2.614 417 1HD2 LEU 55 1HD2 LEU 55 1.578 -1.701 -0.589 418 2HD2 LEU 55 2HD2 LEU 55 2.934 -2.316 0.384 419 3HD2 LEU 55 3HD2 LEU 55 1.862 -3.444 -0.478 420 H LYS 56 H LYS 56 3.413 -5.130 4.290 421 HA LYS 56 HA LYS 56 6.103 -4.462 3.759 422 1HB LYS 56 2HB LYS 56 4.620 -6.118 5.758 423 2HB LYS 56 3HB LYS 56 6.284 -6.553 5.544 424 1HG LYS 56 2HG LYS 56 6.029 -4.967 7.314 425 2HG LYS 56 3HG LYS 56 7.066 -4.319 6.029 426 1HD LYS 56 2HD LYS 56 5.153 -2.911 5.219 427 2HD LYS 56 3HD LYS 56 4.116 -3.642 6.440 428 1HE LYS 56 2HE LYS 56 4.765 -1.433 7.154 429 2HE LYS 56 3HE LYS 56 5.442 -2.632 8.259 430 1HZ LYS 56 1HZ LYS 56 7.582 -2.282 7.287 431 2HZ LYS 56 2HZ LYS 56 6.976 -1.373 6.057 432 3HZ LYS 56 3HZ LYS 56 6.961 -0.769 7.535 433 H LYS 57 H LYS 57 4.310 -7.250 2.568 434 HA LYS 57 HA LYS 57 6.597 -8.918 2.088 435 1HB LYS 57 2HB LYS 57 3.968 -8.884 0.577 436 2HB LYS 57 3HB LYS 57 5.138 -10.191 0.586 437 1HG LYS 57 2HG LYS 57 3.901 -9.242 3.193 438 2HG LYS 57 3HG LYS 57 3.041 -10.351 2.118 439 1HD LYS 57 2HD LYS 57 4.640 -12.070 2.373 440 2HD LYS 57 3HD LYS 57 5.894 -10.970 2.939 441 1HE LYS 57 2HE LYS 57 4.922 -12.450 4.730 442 2HE LYS 57 3HE LYS 57 4.941 -10.714 5.089 443 1HZ LYS 57 1HZ LYS 57 2.698 -10.540 4.734 444 2HZ LYS 57 2HZ LYS 57 2.535 -12.055 4.068 445 3HZ LYS 57 3HZ LYS 57 2.874 -11.862 5.670 446 H THR 58 H THR 58 5.489 -6.032 0.422 447 HA THR 58 HA THR 58 6.903 -6.436 -2.098 448 HB THR 58 HB THR 58 6.936 -4.030 -2.237 449 HG1 THR 58 1HG THR 58 5.767 -3.916 0.335 450 1HG2 THR 58 1HG2 THR 58 4.523 -3.562 -1.969 451 2HG2 THR 58 2HG2 THR 58 4.831 -5.117 -2.781 452 3HG2 THR 58 3HG2 THR 58 4.347 -5.068 -1.071 453 H GLY 59 H GLY 59 7.781 -5.535 1.193 454 1HA GLY 59 2HA GLY 59 9.661 -5.329 2.271 455 2HA GLY 59 3HA GLY 59 10.381 -6.520 1.157 456 H LYS 60 H LYS 60 9.149 -3.305 0.348 457 HA LYS 60 HA LYS 60 11.887 -2.316 -0.347 458 1HB LYS 60 2HB LYS 60 9.252 -1.075 -1.163 459 2HB LYS 60 3HB LYS 60 10.854 -0.883 -1.891 460 1HG LYS 60 2HG LYS 60 10.731 -3.418 -2.466 461 2HG LYS 60 3HG LYS 60 9.040 -3.321 -1.995 462 1HD LYS 60 2HD LYS 60 9.069 -3.174 -4.322 463 2HD LYS 60 3HD LYS 60 8.658 -1.560 -3.728 464 1HE LYS 60 2HE LYS 60 11.562 -1.748 -3.920 465 2HE LYS 60 3HE LYS 60 10.908 -2.387 -5.425 466 1HZ LYS 60 1HZ LYS 60 10.173 -0.313 -6.012 467 2HZ LYS 60 2HZ LYS 60 9.867 0.187 -4.474 468 3HZ LYS 60 3HZ LYS 60 11.394 0.127 -4.997 469 H THR 61 H THR 61 11.289 0.446 -0.143 470 HA THR 61 HA THR 61 11.332 0.870 2.622 471 HB THR 61 HB THR 61 10.840 2.998 0.613 472 HG1 THR 61 1HG THR 61 13.022 2.778 -0.022 473 1HG2 THR 61 1HG2 THR 61 11.293 3.645 2.987 474 2HG2 THR 61 2HG2 THR 61 12.832 2.759 2.917 475 3HG2 THR 61 3HG2 THR 61 12.581 4.194 1.902 476 H VAL 62 H VAL 62 8.939 -0.445 2.375 477 HA VAL 62 HA VAL 62 6.711 1.481 2.233 478 HB VAL 62 HB VAL 62 6.280 -0.460 1.030 479 1HG1 VAL 62 1HG1 VAL 62 7.814 -2.117 1.897 480 2HG1 VAL 62 2HG1 VAL 62 7.013 -2.111 3.485 481 3HG1 VAL 62 3HG1 VAL 62 6.162 -2.714 2.071 482 1HG2 VAL 62 1HG2 VAL 62 4.788 -0.845 3.647 483 2HG2 VAL 62 2HG2 VAL 62 4.426 0.446 2.480 484 3HG2 VAL 62 3HG2 VAL 62 4.252 -1.249 2.012 485 H SER 63 H SER 63 5.969 2.489 4.026 486 HA SER 63 HA SER 63 5.321 0.850 6.285 487 1HB SER 63 2HB SER 63 7.659 2.704 6.572 488 2HB SER 63 3HB SER 63 6.471 2.727 7.877 489 HG SER 63 HG SER 63 8.151 1.165 8.155 490 H TYR 64 H TYR 64 4.079 1.986 7.886 491 HA TYR 64 HA TYR 64 1.959 3.315 6.489 492 1HB TYR 64 2HB TYR 64 1.080 1.790 7.891 493 2HB TYR 64 3HB TYR 64 2.407 1.881 9.043 494 HD1 TYR 64 HD1 TYR 64 -0.663 3.735 7.956 495 HD2 TYR 64 HD2 TYR 64 2.279 3.136 11.043 496 HE1 TYR 64 HE1 TYR 64 -2.027 5.069 9.515 497 HE2 TYR 64 HE2 TYR 64 0.987 4.589 12.561 498 HH TYR 64 HH TYR 64 -0.907 5.846 12.840 499 H LEU 65 H LEU 65 1.109 5.357 6.770 500 HA LEU 65 HA LEU 65 2.261 7.196 8.792 501 1HB LEU 65 2HB LEU 65 1.523 7.834 5.945 502 2HB LEU 65 3HB LEU 65 1.713 9.004 7.262 503 HG LEU 65 HG LEU 65 4.091 7.799 7.576 504 1HD1 LEU 65 1HD1 LEU 65 3.724 6.055 5.887 505 2HD1 LEU 65 2HD1 LEU 65 3.339 7.275 4.668 506 3HD1 LEU 65 3HD1 LEU 65 4.988 7.153 5.344 507 1HD2 LEU 65 1HD2 LEU 65 3.295 9.706 5.367 508 2HD2 LEU 65 2HD2 LEU 65 3.669 10.111 7.063 509 3HD2 LEU 65 3HD2 LEU 65 4.958 9.510 5.989 510 H GLY 66 H GLY 66 0.608 8.147 9.944 511 1HA GLY 66 2HA GLY 66 -1.404 8.906 10.662 512 2HA GLY 66 3HA GLY 66 -1.513 9.426 8.980 513 H LEU 67 H LEU 67 -2.715 7.265 11.379 514 HA LEU 67 HA LEU 67 -4.735 5.983 9.756 515 1HB LEU 67 2HB LEU 67 -3.934 5.193 11.971 516 2HB LEU 67 3HB LEU 67 -4.634 6.635 12.768 517 HG LEU 67 HG LEU 67 -6.284 4.629 11.149 518 1HD1 LEU 67 1HD1 LEU 67 -5.080 3.468 13.036 519 2HD1 LEU 67 2HD1 LEU 67 -5.777 4.636 14.168 520 3HD1 LEU 67 3HD1 LEU 67 -6.827 3.513 13.278 521 1HD2 LEU 67 1HD2 LEU 67 -7.595 6.636 11.591 522 2HD2 LEU 67 2HD2 LEU 67 -8.122 5.422 12.724 523 3HD2 LEU 67 3HD2 LEU 67 -7.033 6.705 13.267 524 H GLU 68 H GLU 68 -6.620 6.905 9.034 525 HA GLU 68 HA GLU 68 -7.901 9.102 10.322 526 1HB GLU 68 2HB GLU 68 -6.120 10.140 8.776 527 2HB GLU 68 3HB GLU 68 -7.026 9.505 7.416 528 1HG GLU 68 2HG GLU 68 -8.445 11.240 9.479 529 2HG GLU 68 3HG GLU 68 -7.295 12.004 8.368 Start of MODEL 11 1 1H MET 1 H1 MET 1 -10.823 7.379 9.402 2 2H MET 1 H2 MET 1 -11.507 6.821 10.808 3 3H MET 1 H3 MET 1 -10.056 6.291 10.180 4 HA MET 1 HA MET 1 -12.522 5.123 9.753 5 1HB MET 1 2HB MET 1 -12.720 7.103 8.141 6 2HB MET 1 3HB MET 1 -11.373 6.416 7.229 7 1HG MET 1 2HG MET 1 -12.769 4.445 6.673 8 2HG MET 1 3HG MET 1 -14.048 5.062 7.747 9 1HE MET 1 1HE MET 1 -11.882 6.989 4.999 10 2HE MET 1 2HE MET 1 -12.299 5.408 4.277 11 3HE MET 1 3HE MET 1 -13.033 6.894 3.646 12 HA PRO 2 HA PRO 2 -9.298 2.027 8.645 13 1HB PRO 2 2HB PRO 2 -10.735 0.198 7.153 14 2HB PRO 2 3HB PRO 2 -10.738 0.291 8.928 15 1HG PRO 2 2HG PRO 2 -12.749 1.539 7.036 16 2HG PRO 2 3HG PRO 2 -13.071 0.530 8.477 17 1HD PRO 2 2HD PRO 2 -13.216 3.196 8.624 18 2HD PRO 2 3HD PRO 2 -12.398 2.311 9.927 19 H LYS 3 H LYS 3 -8.559 4.021 7.504 20 HA LYS 3 HA LYS 3 -8.054 3.419 4.708 21 1HB LYS 3 2HB LYS 3 -10.002 5.018 4.748 22 2HB LYS 3 3HB LYS 3 -9.047 6.125 5.726 23 1HG LYS 3 2HG LYS 3 -7.342 6.153 3.801 24 2HG LYS 3 3HG LYS 3 -8.533 5.225 2.870 25 1HD LYS 3 2HD LYS 3 -10.156 7.085 3.084 26 2HD LYS 3 3HD LYS 3 -9.046 7.950 4.165 27 1HE LYS 3 2HE LYS 3 -8.948 8.909 1.929 28 2HE LYS 3 3HE LYS 3 -7.390 8.200 2.367 29 1HZ LYS 3 1HZ LYS 3 -9.416 6.837 0.725 30 2HZ LYS 3 2HZ LYS 3 -8.113 7.646 0.109 31 3HZ LYS 3 3HZ LYS 3 -7.906 6.305 1.049 32 H HIS 4 H HIS 4 -5.908 4.170 4.200 33 HA HIS 4 HA HIS 4 -4.273 5.179 6.448 34 1HB HIS 4 2HB HIS 4 -3.296 2.582 5.437 35 2HB HIS 4 3HB HIS 4 -3.401 3.200 7.072 36 HD1 HIS 4 1HD HIS 4 -5.134 1.950 8.558 37 HD2 HIS 4 2HD HIS 4 -5.809 1.579 4.428 38 HE1 HIS 4 1HE HIS 4 -7.081 0.306 8.266 39 H GLU 5 H GLU 5 -2.435 6.190 5.647 40 HA GLU 5 HA GLU 5 -1.851 5.859 2.751 41 1HB GLU 5 2HB GLU 5 -1.971 8.190 3.811 42 2HB GLU 5 3HB GLU 5 -0.479 7.772 4.635 43 1HG GLU 5 2HG GLU 5 0.190 7.058 2.057 44 2HG GLU 5 3HG GLU 5 -1.018 8.293 1.731 45 H PHE 6 H PHE 6 -0.008 4.841 2.100 46 HA PHE 6 HA PHE 6 2.106 4.229 4.099 47 1HB PHE 6 2HB PHE 6 1.068 2.395 1.904 48 2HB PHE 6 3HB PHE 6 2.641 2.214 2.666 49 HD1 PHE 6 1HD PHE 6 -1.039 2.358 3.568 50 HD2 PHE 6 2HD PHE 6 2.875 0.840 4.604 51 HE1 PHE 6 1HE PHE 6 -2.051 0.725 5.111 52 HE2 PHE 6 2HE PHE 6 1.848 -0.854 6.000 53 HZ PHE 6 HZ PHE 6 -0.643 -0.918 6.305 54 H SER 7 H SER 7 3.932 5.224 3.490 55 HA SER 7 HA SER 7 4.127 6.302 0.740 56 1HB SER 7 2HB SER 7 4.755 7.790 2.517 57 2HB SER 7 3HB SER 7 6.073 6.696 2.997 58 HG SER 7 HG SER 7 5.873 7.513 0.282 59 H VAL 8 H VAL 8 5.254 5.203 -0.778 60 HA VAL 8 HA VAL 8 6.532 2.614 0.052 61 HB VAL 8 HB VAL 8 4.921 3.296 -2.421 62 1HG1 VAL 8 1HG1 VAL 8 6.513 0.766 -1.775 63 2HG1 VAL 8 2HG1 VAL 8 5.386 0.953 -3.131 64 3HG1 VAL 8 3HG1 VAL 8 6.867 1.905 -3.091 65 1HG2 VAL 8 1HG2 VAL 8 4.596 1.213 -0.197 66 2HG2 VAL 8 2HG2 VAL 8 3.589 2.658 -0.402 67 3HG2 VAL 8 3HG2 VAL 8 3.547 1.355 -1.608 68 H ASP 9 H ASP 9 8.535 2.273 -0.693 69 HA ASP 9 HA ASP 9 9.922 4.551 -1.809 70 1HB ASP 9 2HB ASP 9 10.824 2.794 -0.169 71 2HB ASP 9 3HB ASP 9 11.288 1.875 -1.614 72 H MET 10 H MET 10 8.471 4.685 -3.646 73 HA MET 10 HA MET 10 8.478 2.651 -5.651 74 1HB MET 10 2HB MET 10 7.601 5.545 -5.891 75 2HB MET 10 3HB MET 10 7.322 4.235 -7.054 76 1HG MET 10 2HG MET 10 6.179 2.941 -5.181 77 2HG MET 10 3HG MET 10 6.232 4.437 -4.234 78 1HE MET 10 1HE MET 10 2.468 4.211 -5.167 79 2HE MET 10 2HE MET 10 3.561 2.889 -4.683 80 3HE MET 10 3HE MET 10 3.635 4.476 -3.863 81 H THR 11 H THR 11 10.652 2.191 -5.991 82 HA THR 11 HA THR 11 12.569 4.110 -6.947 83 HB THR 11 HB THR 11 13.820 1.945 -7.510 84 HG1 THR 11 1HG THR 11 12.005 0.619 -7.808 85 1HG2 THR 11 1HG2 THR 11 14.096 3.082 -5.336 86 2HG2 THR 11 2HG2 THR 11 12.696 2.218 -4.680 87 3HG2 THR 11 3HG2 THR 11 14.153 1.321 -5.148 88 H CYS 12 HN CYS 12 10.036 2.192 -8.521 89 HA CYS 12 HA CYS 12 10.587 3.400 -11.079 90 1HB CYS 12 2HB CYS 12 10.722 1.125 -12.203 91 2HB CYS 12 3HB CYS 12 12.165 1.609 -11.315 92 H GLY 13 H GLY 13 8.828 2.894 -12.543 93 1HA GLY 13 2HA GLY 13 6.249 3.168 -11.693 94 2HA GLY 13 3HA GLY 13 6.700 2.315 -13.168 95 H GLY 14 H GLY 14 7.997 0.086 -12.134 96 1HA GLY 14 2HA GLY 14 5.828 -1.631 -11.859 97 2HA GLY 14 3HA GLY 14 7.529 -2.067 -11.568 98 H CYS 15 HN CYS 15 7.395 0.159 -9.260 99 HA CYS 15 HA CYS 15 6.714 -1.564 -7.078 100 1HB CYS 15 2HB CYS 15 6.852 1.445 -7.297 101 2HB CYS 15 3HB CYS 15 6.652 0.537 -5.785 102 H ALA 16 H ALA 16 4.779 0.702 -9.096 103 HA ALA 16 HA ALA 16 2.402 0.617 -7.484 104 1HB ALA 16 1HB ALA 16 2.658 2.311 -9.171 105 2HB ALA 16 2HB ALA 16 2.771 1.089 -10.468 106 3HB ALA 16 3HB ALA 16 1.257 1.295 -9.578 107 H GLU 17 H GLU 17 3.480 -1.338 -10.333 108 HA GLU 17 HA GLU 17 1.251 -3.069 -10.465 109 1HB GLU 17 2HB GLU 17 4.185 -3.879 -10.807 110 2HB GLU 17 3HB GLU 17 2.712 -4.766 -11.241 111 1HG GLU 17 2HG GLU 17 2.258 -3.271 -13.058 112 2HG GLU 17 3HG GLU 17 3.666 -2.276 -12.629 113 H ALA 18 H ALA 18 4.334 -3.365 -8.664 114 HA ALA 18 HA ALA 18 3.969 -5.878 -7.499 115 1HB ALA 18 1HB ALA 18 5.667 -5.178 -5.892 116 2HB ALA 18 2HB ALA 18 6.099 -4.625 -7.527 117 3HB ALA 18 3HB ALA 18 5.425 -3.479 -6.345 118 H VAL 19 H VAL 19 3.198 -2.621 -6.084 119 HA VAL 19 HA VAL 19 2.136 -3.737 -3.708 120 HB VAL 19 HB VAL 19 1.723 -1.049 -5.094 121 1HG1 VAL 19 1HG1 VAL 19 0.758 -2.321 -2.538 122 2HG1 VAL 19 2HG1 VAL 19 0.994 -0.549 -2.611 123 3HG1 VAL 19 3HG1 VAL 19 -0.130 -1.323 -3.740 124 1HG2 VAL 19 1HG2 VAL 19 3.299 -1.597 -2.556 125 2HG2 VAL 19 2HG2 VAL 19 4.086 -1.665 -4.147 126 3HG2 VAL 19 3HG2 VAL 19 3.315 -0.169 -3.596 127 H SER 20 H SER 20 0.570 -2.593 -6.752 128 HA SER 20 HA SER 20 -2.110 -2.970 -5.924 129 1HB SER 20 2HB SER 20 -1.265 -1.912 -8.080 130 2HB SER 20 3HB SER 20 -0.822 -3.480 -8.697 131 HG SER 20 HG SER 20 -3.490 -3.162 -7.911 132 H ARG 21 H ARG 21 0.062 -5.192 -7.484 133 HA ARG 21 HA ARG 21 -1.499 -7.563 -7.533 134 1HB ARG 21 2HB ARG 21 0.328 -7.779 -8.823 135 2HB ARG 21 3HB ARG 21 1.309 -6.758 -7.795 136 1HG ARG 21 2HG ARG 21 2.108 -8.374 -6.464 137 2HG ARG 21 3HG ARG 21 0.904 -9.574 -6.933 138 1HD ARG 21 2HD ARG 21 3.168 -9.907 -8.061 139 2HD ARG 21 3HD ARG 21 1.824 -9.696 -9.201 140 HE ARG 21 HE ARG 21 3.124 -7.206 -8.499 141 1HH1 ARG 21 2HH2 ARG 21 3.368 -9.887 -10.799 142 2HH1 ARG 21 1HH2 ARG 21 4.089 -8.901 -12.042 143 1HH2 ARG 21 2HH1 ARG 21 4.240 -5.987 -10.051 144 2HH2 ARG 21 1HH1 ARG 21 4.311 -6.506 -11.686 145 H VAL 22 H VAL 22 0.827 -6.492 -4.968 146 HA VAL 22 HA VAL 22 0.412 -8.751 -3.323 147 HB VAL 22 HB VAL 22 2.161 -6.698 -3.379 148 1HG1 VAL 22 1HG1 VAL 22 0.661 -4.993 -2.244 149 2HG1 VAL 22 2HG1 VAL 22 0.486 -6.095 -0.869 150 3HG1 VAL 22 3HG1 VAL 22 2.052 -5.409 -1.285 151 1HG2 VAL 22 1HG2 VAL 22 3.052 -7.433 -1.284 152 2HG2 VAL 22 2HG2 VAL 22 1.531 -8.294 -0.924 153 3HG2 VAL 22 3HG2 VAL 22 2.556 -8.809 -2.305 154 H LEU 23 H LEU 23 -1.137 -5.621 -3.445 155 HA LEU 23 HA LEU 23 -2.860 -6.047 -1.132 156 1HB LEU 23 2HB LEU 23 -2.405 -3.905 -3.194 157 2HB LEU 23 3HB LEU 23 -3.870 -3.832 -2.327 158 HG LEU 23 HG LEU 23 -1.056 -3.938 -1.118 159 1HD1 LEU 23 1HD1 LEU 23 -3.040 -1.646 -1.133 160 2HD1 LEU 23 2HD1 LEU 23 -1.293 -1.637 -0.682 161 3HD1 LEU 23 3HD1 LEU 23 -1.796 -1.820 -2.379 162 1HD2 LEU 23 1HD2 LEU 23 -2.377 -3.130 0.943 163 2HD2 LEU 23 2HD2 LEU 23 -3.826 -3.668 0.055 164 3HD2 LEU 23 3HD2 LEU 23 -2.572 -4.834 0.544 165 H ASN 24 H ASN 24 -3.190 -6.454 -4.689 166 HA ASN 24 HA ASN 24 -6.010 -6.966 -4.585 167 1HB ASN 24 2HB ASN 24 -4.878 -6.608 -6.719 168 2HB ASN 24 3HB ASN 24 -3.910 -8.074 -6.490 169 1HD2 ASN 24 1HD2 ASN 24 -7.151 -8.549 -5.275 170 2HD2 ASN 24 2HD2 ASN 24 -7.743 -9.319 -6.730 171 H LYS 25 H LYS 25 -3.094 -9.006 -4.129 172 HA LYS 25 HA LYS 25 -4.430 -11.379 -3.507 173 1HB LYS 25 2HB LYS 25 -1.773 -10.513 -3.412 174 2HB LYS 25 3HB LYS 25 -2.106 -10.933 -1.733 175 1HG LYS 25 2HG LYS 25 -2.524 -12.719 -4.175 176 2HG LYS 25 3HG LYS 25 -1.190 -12.827 -3.018 177 1HD LYS 25 2HD LYS 25 -2.839 -13.302 -1.188 178 2HD LYS 25 3HD LYS 25 -4.145 -13.290 -2.385 179 1HE LYS 25 2HE LYS 25 -3.016 -15.139 -3.634 180 2HE LYS 25 3HE LYS 25 -1.795 -15.230 -2.354 181 1HZ LYS 25 1HZ LYS 25 -3.541 -16.839 -2.047 182 2HZ LYS 25 2HZ LYS 25 -3.570 -15.760 -0.807 183 3HZ LYS 25 3HZ LYS 25 -4.693 -15.669 -2.006 184 H LEU 26 H LEU 26 -4.075 -8.491 -1.479 185 HA LEU 26 HA LEU 26 -5.237 -9.576 0.927 186 1HB LEU 26 2HB LEU 26 -4.069 -7.231 0.476 187 2HB LEU 26 3HB LEU 26 -5.690 -6.727 0.006 188 HG LEU 26 HG LEU 26 -5.519 -6.002 2.102 189 1HD1 LEU 26 1HD1 LEU 26 -7.201 -7.177 3.357 190 2HD1 LEU 26 2HD1 LEU 26 -7.617 -7.199 1.625 191 3HD1 LEU 26 3HD1 LEU 26 -6.948 -8.653 2.435 192 1HD2 LEU 26 1HD2 LEU 26 -3.545 -7.118 2.834 193 2HD2 LEU 26 2HD2 LEU 26 -4.813 -7.253 4.049 194 3HD2 LEU 26 3HD2 LEU 26 -4.416 -8.662 3.036 195 H GLY 27 H GLY 27 -6.577 -7.718 -1.837 196 1HA GLY 27 2HA GLY 27 -8.429 -8.418 -3.138 197 2HA GLY 27 3HA GLY 27 -9.038 -9.401 -1.809 198 H GLY 28 H GLY 28 -9.667 -8.167 0.213 199 1HA GLY 28 2HA GLY 28 -11.807 -6.363 -0.598 200 2HA GLY 28 3HA GLY 28 -11.438 -6.916 1.041 201 H VAL 29 H VAL 29 -9.821 -5.003 -1.502 202 HA VAL 29 HA VAL 29 -9.518 -2.676 0.349 203 HB VAL 29 HB VAL 29 -7.179 -2.387 -0.513 204 1HG1 VAL 29 1HG1 VAL 29 -7.557 -3.406 1.676 205 2HG1 VAL 29 2HG1 VAL 29 -7.645 -5.028 0.928 206 3HG1 VAL 29 3HG1 VAL 29 -6.133 -4.118 0.875 207 1HG2 VAL 29 1HG2 VAL 29 -7.366 -3.935 -2.543 208 2HG2 VAL 29 2HG2 VAL 29 -5.955 -4.187 -1.495 209 3HG2 VAL 29 3HG2 VAL 29 -7.340 -5.302 -1.384 210 H LYS 30 H LYS 30 -9.319 -0.654 -0.708 211 HA LYS 30 HA LYS 30 -8.978 -0.788 -3.628 212 1HB LYS 30 2HB LYS 30 -11.233 0.421 -2.578 213 2HB LYS 30 3HB LYS 30 -10.103 1.769 -2.588 214 1HG LYS 30 2HG LYS 30 -10.966 0.028 -4.935 215 2HG LYS 30 3HG LYS 30 -11.463 1.677 -4.590 216 1HD LYS 30 2HD LYS 30 -9.888 2.357 -6.040 217 2HD LYS 30 3HD LYS 30 -8.748 2.082 -4.768 218 1HE LYS 30 2HE LYS 30 -7.903 1.043 -6.761 219 2HE LYS 30 3HE LYS 30 -8.397 -0.294 -5.720 220 1HZ LYS 30 1HZ LYS 30 -9.954 0.816 -7.957 221 2HZ LYS 30 2HZ LYS 30 -9.110 -0.595 -7.964 222 3HZ LYS 30 3HZ LYS 30 -10.431 -0.438 -7.000 223 H TYR 31 H TYR 31 -7.280 0.636 -4.267 224 HA TYR 31 HA TYR 31 -5.916 2.194 -2.198 225 1HB TYR 31 2HB TYR 31 -3.748 1.313 -3.332 226 2HB TYR 31 3HB TYR 31 -4.538 0.334 -2.103 227 HD1 TYR 31 HD1 TYR 31 -4.261 0.720 -5.817 228 HD2 TYR 31 HD2 TYR 31 -5.342 -1.864 -2.554 229 HE1 TYR 31 HE1 TYR 31 -4.374 -1.193 -7.380 230 HE2 TYR 31 HE2 TYR 31 -5.413 -3.799 -4.117 231 HH TYR 31 HH TYR 31 -4.340 -4.482 -6.222 232 H ASP 32 H ASP 32 -5.240 4.119 -2.982 233 HA ASP 32 HA ASP 32 -5.220 4.505 -5.942 234 1HB ASP 32 2HB ASP 32 -6.727 6.111 -4.729 235 2HB ASP 32 3HB ASP 32 -5.324 6.671 -3.804 236 H ILE 33 H ILE 33 -3.276 5.704 -6.643 237 HA ILE 33 HA ILE 33 -0.838 4.844 -5.123 238 HB ILE 33 HB ILE 33 -1.932 3.884 -7.779 239 1HG1 ILE 33 2HG1 ILE 33 -0.524 2.190 -5.688 240 2HG1 ILE 33 3HG1 ILE 33 -2.210 2.655 -5.444 241 1HG2 ILE 33 1HG2 ILE 33 0.965 3.845 -6.885 242 2HG2 ILE 33 2HG2 ILE 33 0.306 2.828 -8.181 243 3HG2 ILE 33 3HG2 ILE 33 0.280 4.579 -8.355 244 1HD1 ILE 33 1HD1 ILE 33 -2.025 0.464 -6.540 245 2HD1 ILE 33 2HD1 ILE 33 -2.938 1.653 -7.494 246 3HD1 ILE 33 3HD1 ILE 33 -1.270 1.222 -7.949 247 H ASP 34 H ASP 34 0.534 6.532 -5.130 248 HA ASP 34 HA ASP 34 0.525 8.447 -7.433 249 1HB ASP 34 2HB ASP 34 -0.342 9.397 -5.310 250 2HB ASP 34 3HB ASP 34 1.186 8.958 -4.522 251 H LEU 35 H LEU 35 2.290 8.134 -8.614 252 HA LEU 35 HA LEU 35 4.701 6.874 -7.621 253 1HB LEU 35 2HB LEU 35 3.648 7.830 -10.253 254 2HB LEU 35 3HB LEU 35 5.387 7.960 -10.049 255 HG LEU 35 HG LEU 35 4.674 5.935 -11.181 256 1HD1 LEU 35 1HD1 LEU 35 6.152 5.522 -8.551 257 2HD1 LEU 35 2HD1 LEU 35 6.075 4.308 -9.825 258 3HD1 LEU 35 3HD1 LEU 35 6.844 5.875 -10.143 259 1HD2 LEU 35 1HD2 LEU 35 2.586 5.426 -10.021 260 2HD2 LEU 35 2HD2 LEU 35 3.710 4.050 -10.065 261 3HD2 LEU 35 3HD2 LEU 35 3.495 4.971 -8.563 262 HA PRO 36 HA PRO 36 6.816 11.059 -8.384 263 1HB PRO 36 2HB PRO 36 5.306 13.402 -8.204 264 2HB PRO 36 3HB PRO 36 5.793 12.580 -9.713 265 1HG PRO 36 2HG PRO 36 3.181 12.319 -8.214 266 2HG PRO 36 3HG PRO 36 3.419 12.553 -9.970 267 1HD PRO 36 2HD PRO 36 2.920 10.125 -8.994 268 2HD PRO 36 3HD PRO 36 4.188 10.300 -10.236 269 H ASN 37 H ASN 37 4.021 10.994 -6.159 270 HA ASN 37 HA ASN 37 5.720 12.177 -3.991 271 1HB ASN 37 2HB ASN 37 2.762 11.526 -3.932 272 2HB ASN 37 3HB ASN 37 3.708 12.328 -2.687 273 1HD2 ASN 37 1HD2 ASN 37 1.755 12.909 -5.433 274 2HD2 ASN 37 2HD2 ASN 37 2.197 14.605 -5.640 275 H LYS 38 H LYS 38 5.355 9.209 -5.318 276 HA LYS 38 HA LYS 38 5.490 7.076 -4.653 277 1HB LYS 38 2HB LYS 38 7.540 6.641 -3.599 278 2HB LYS 38 3HB LYS 38 7.688 7.959 -4.739 279 1HG LYS 38 2HG LYS 38 7.654 9.597 -2.837 280 2HG LYS 38 3HG LYS 38 7.679 8.240 -1.705 281 1HD LYS 38 2HD LYS 38 9.774 8.899 -3.836 282 2HD LYS 38 3HD LYS 38 9.915 9.233 -2.099 283 1HE LYS 38 2HE LYS 38 9.727 6.774 -1.637 284 2HE LYS 38 3HE LYS 38 9.712 6.467 -3.388 285 1HZ LYS 38 1HZ LYS 38 11.960 7.623 -1.905 286 2HZ LYS 38 2HZ LYS 38 11.851 6.114 -2.528 287 3HZ LYS 38 3HZ LYS 38 11.898 7.391 -3.544 288 H LYS 39 H LYS 39 3.251 7.279 -3.796 289 HA LYS 39 HA LYS 39 3.170 6.207 -1.069 290 1HB LYS 39 2HB LYS 39 1.854 8.767 -2.124 291 2HB LYS 39 3HB LYS 39 1.139 7.902 -0.776 292 1HG LYS 39 2HG LYS 39 2.921 8.371 0.677 293 2HG LYS 39 3HG LYS 39 4.004 8.874 -0.622 294 1HD LYS 39 2HD LYS 39 2.600 10.784 -1.172 295 2HD LYS 39 3HD LYS 39 1.423 10.351 0.073 296 1HE LYS 39 2HE LYS 39 4.361 10.964 0.679 297 2HE LYS 39 3HE LYS 39 3.109 12.216 0.623 298 1HZ LYS 39 1HZ LYS 39 2.957 9.878 2.428 299 2HZ LYS 39 2HZ LYS 39 3.418 11.405 2.892 300 3HZ LYS 39 3HZ LYS 39 1.898 11.029 2.343 301 H VAL 40 H VAL 40 1.158 5.267 -0.492 302 HA VAL 40 HA VAL 40 -0.730 4.729 -2.694 303 HB VAL 40 HB VAL 40 0.265 2.714 -0.626 304 1HG1 VAL 40 1HG1 VAL 40 -0.973 1.102 -1.980 305 2HG1 VAL 40 2HG1 VAL 40 -2.058 2.438 -1.538 306 3HG1 VAL 40 3HG1 VAL 40 -1.374 2.364 -3.170 307 1HG2 VAL 40 1HG2 VAL 40 1.020 3.001 -3.564 308 2HG2 VAL 40 2HG2 VAL 40 2.105 3.188 -2.163 309 3HG2 VAL 40 3HG2 VAL 40 1.411 1.612 -2.534 310 H CYS 41 H CYS 41 -2.770 5.209 -2.005 311 HA CYS 41 HA CYS 41 -3.311 5.666 0.929 312 1HB CYS 41 2HB CYS 41 -4.616 6.825 -1.572 313 2HB CYS 41 3HB CYS 41 -5.250 7.006 0.075 314 HG CYS 41 HG CYS 41 -2.290 7.905 -1.040 315 H ILE 42 H ILE 42 -4.075 3.817 1.718 316 HA ILE 42 HA ILE 42 -5.710 2.164 -0.075 317 HB ILE 42 HB ILE 42 -4.513 1.271 2.564 318 1HG1 ILE 42 2HG1 ILE 42 -3.325 1.137 -0.222 319 2HG1 ILE 42 3HG1 ILE 42 -2.702 2.083 1.148 320 1HG2 ILE 42 1HG2 ILE 42 -4.838 -1.000 1.411 321 2HG2 ILE 42 2HG2 ILE 42 -6.352 -0.140 1.664 322 3HG2 ILE 42 3HG2 ILE 42 -5.579 -0.159 0.063 323 1HD1 ILE 42 1HD1 ILE 42 -1.372 0.165 0.647 324 2HD1 ILE 42 2HD1 ILE 42 -1.920 0.180 2.315 325 3HD1 ILE 42 3HD1 ILE 42 -2.661 -0.926 1.142 326 H GLU 43 H GLU 43 -7.772 1.431 0.537 327 HA GLU 43 HA GLU 43 -9.049 2.633 2.916 328 1HB GLU 43 2HB GLU 43 -9.222 4.074 0.800 329 2HB GLU 43 3HB GLU 43 -10.236 2.807 0.109 330 1HG GLU 43 2HG GLU 43 -11.920 3.117 1.818 331 2HG GLU 43 3HG GLU 43 -10.838 4.105 2.804 332 H SER 44 H SER 44 -10.417 1.151 3.897 333 HA SER 44 HA SER 44 -11.448 -1.146 2.429 334 1HB SER 44 2HB SER 44 -9.110 -1.827 2.743 335 2HB SER 44 3HB SER 44 -9.222 -1.481 4.476 336 HG SER 44 HG SER 44 -9.892 -3.731 3.175 337 H GLU 45 H GLU 45 -12.107 -2.774 4.233 338 HA GLU 45 HA GLU 45 -13.739 -1.440 6.329 339 1HB GLU 45 2HB GLU 45 -14.661 -3.769 6.623 340 2HB GLU 45 3HB GLU 45 -15.070 -2.958 5.109 341 1HG GLU 45 2HG GLU 45 -13.430 -4.271 3.871 342 2HG GLU 45 3HG GLU 45 -12.831 -5.008 5.372 343 H HIS 46 H HIS 46 -10.968 -3.631 5.747 344 HA HIS 46 HA HIS 46 -10.914 -4.509 8.533 345 1HB HIS 46 2HB HIS 46 -8.945 -5.815 7.863 346 2HB HIS 46 3HB HIS 46 -10.299 -6.043 6.752 347 HD1 HIS 46 1HD HIS 46 -7.549 -3.266 6.710 348 HD2 HIS 46 2HD HIS 46 -9.371 -6.243 4.326 349 HE1 HIS 46 1HE HIS 46 -6.929 -2.800 4.326 350 H SER 47 H SER 47 -8.615 -4.529 9.604 351 HA SER 47 HA SER 47 -7.956 -1.750 10.152 352 1HB SER 47 2HB SER 47 -8.038 -3.599 11.893 353 2HB SER 47 3HB SER 47 -6.512 -4.197 11.202 354 HG SER 47 HG SER 47 -5.709 -2.778 12.546 355 H MET 48 H MET 48 -5.670 -1.337 10.594 356 HA MET 48 HA MET 48 -4.223 -0.923 8.121 357 1HB MET 48 2HB MET 48 -2.631 0.227 9.519 358 2HB MET 48 3HB MET 48 -4.254 0.630 10.107 359 1HG MET 48 2HG MET 48 -3.882 -1.411 11.704 360 2HG MET 48 3HG MET 48 -2.165 -1.171 11.333 361 1HE MET 48 1HE MET 48 -1.731 -1.107 13.903 362 2HE MET 48 2HE MET 48 -2.608 -0.051 15.036 363 3HE MET 48 3HE MET 48 -3.461 -1.374 14.205 364 H ASP 49 H ASP 49 -4.140 -3.261 10.782 365 HA ASP 49 HA ASP 49 -1.492 -4.124 10.515 366 1HB ASP 49 2HB ASP 49 -3.823 -5.817 11.506 367 2HB ASP 49 3HB ASP 49 -2.122 -5.915 11.983 368 H THR 50 H THR 50 -4.507 -5.526 9.282 369 HA THR 50 HA THR 50 -3.667 -7.743 7.896 370 HB THR 50 HB THR 50 -5.809 -5.902 6.794 371 HG1 THR 50 1HG THR 50 -6.013 -7.258 9.275 372 1HG2 THR 50 1HG2 THR 50 -7.115 -7.966 6.706 373 2HG2 THR 50 2HG2 THR 50 -5.543 -8.258 5.939 374 3HG2 THR 50 3HG2 THR 50 -5.850 -8.858 7.576 375 H LEU 51 H LEU 51 -3.798 -4.324 6.826 376 HA LEU 51 HA LEU 51 -2.756 -4.778 4.166 377 1HB LEU 51 2HB LEU 51 -2.658 -2.269 5.897 378 2HB LEU 51 3HB LEU 51 -2.141 -2.419 4.220 379 HG LEU 51 HG LEU 51 -4.948 -2.675 5.359 380 1HD1 LEU 51 1HD1 LEU 51 -3.967 -0.451 4.922 381 2HD1 LEU 51 2HD1 LEU 51 -3.569 -0.960 3.265 382 3HD1 LEU 51 3HD1 LEU 51 -5.278 -0.799 3.775 383 1HD2 LEU 51 1HD2 LEU 51 -5.463 -2.939 2.761 384 2HD2 LEU 51 2HD2 LEU 51 -3.795 -3.460 2.627 385 3HD2 LEU 51 3HD2 LEU 51 -4.926 -4.388 3.636 386 H LEU 52 H LEU 52 -1.211 -3.373 7.062 387 HA LEU 52 HA LEU 52 1.336 -3.039 6.312 388 1HB LEU 52 2HB LEU 52 0.008 -3.674 8.796 389 2HB LEU 52 3HB LEU 52 1.676 -4.264 8.739 390 HG LEU 52 HG LEU 52 0.939 -1.420 7.950 391 1HD1 LEU 52 1HD1 LEU 52 -0.009 -1.747 10.085 392 2HD1 LEU 52 2HD1 LEU 52 1.505 -2.451 10.717 393 3HD1 LEU 52 3HD1 LEU 52 1.440 -0.731 10.230 394 1HD2 LEU 52 1HD2 LEU 52 3.298 -0.987 8.607 395 2HD2 LEU 52 2HD2 LEU 52 3.489 -2.685 9.086 396 3HD2 LEU 52 3HD2 LEU 52 3.232 -2.270 7.378 397 H ALA 53 H ALA 53 0.231 -6.152 7.724 398 HA ALA 53 HA ALA 53 2.659 -7.558 7.350 399 1HB ALA 53 1HB ALA 53 -0.205 -8.623 7.422 400 2HB ALA 53 2HB ALA 53 1.268 -9.583 7.682 401 3HB ALA 53 3HB ALA 53 0.826 -8.306 8.834 402 H THR 54 H THR 54 -0.150 -7.165 5.117 403 HA THR 54 HA THR 54 0.870 -9.056 3.219 404 HB THR 54 HB THR 54 -1.200 -6.840 2.920 405 HG1 THR 54 1HG THR 54 -1.964 -8.160 4.471 406 1HG2 THR 54 1HG2 THR 54 -0.815 -9.444 1.404 407 2HG2 THR 54 2HG2 THR 54 -2.092 -8.253 1.150 408 3HG2 THR 54 3HG2 THR 54 -0.419 -7.820 0.763 409 H LEU 55 H LEU 55 1.013 -5.496 3.633 410 HA LEU 55 HA LEU 55 1.955 -4.969 1.004 411 1HB LEU 55 2HB LEU 55 0.869 -3.548 3.250 412 2HB LEU 55 3HB LEU 55 2.425 -2.787 2.854 413 HG LEU 55 HG LEU 55 -0.054 -2.977 1.241 414 1HD1 LEU 55 1HD1 LEU 55 0.081 -1.158 2.861 415 2HD1 LEU 55 2HD1 LEU 55 1.762 -0.793 2.413 416 3HD1 LEU 55 3HD1 LEU 55 0.489 -0.434 1.287 417 1HD2 LEU 55 1HD2 LEU 55 1.599 -3.360 -0.419 418 2HD2 LEU 55 2HD2 LEU 55 1.305 -1.616 -0.434 419 3HD2 LEU 55 3HD2 LEU 55 2.766 -2.262 0.361 420 H LYS 56 H LYS 56 3.486 -5.295 4.213 421 HA LYS 56 HA LYS 56 6.119 -4.641 3.847 422 1HB LYS 56 2HB LYS 56 4.525 -6.519 5.465 423 2HB LYS 56 3HB LYS 56 6.047 -7.232 5.038 424 1HG LYS 56 2HG LYS 56 6.140 -6.215 7.132 425 2HG LYS 56 3HG LYS 56 7.305 -5.430 6.067 426 1HD LYS 56 2HD LYS 56 4.565 -4.286 6.851 427 2HD LYS 56 3HD LYS 56 6.054 -4.019 7.763 428 1HE LYS 56 2HE LYS 56 7.032 -3.148 5.478 429 2HE LYS 56 3HE LYS 56 5.319 -2.948 5.029 430 1HZ LYS 56 1HZ LYS 56 5.085 -1.511 6.950 431 2HZ LYS 56 2HZ LYS 56 6.681 -1.697 7.321 432 3HZ LYS 56 3HZ LYS 56 6.238 -0.959 5.927 433 H LYS 57 H LYS 57 4.501 -7.466 2.383 434 HA LYS 57 HA LYS 57 6.937 -8.764 1.665 435 1HB LYS 57 2HB LYS 57 4.193 -9.029 0.428 436 2HB LYS 57 3HB LYS 57 5.539 -10.158 0.231 437 1HG LYS 57 2HG LYS 57 5.640 -10.481 2.700 438 2HG LYS 57 3HG LYS 57 4.164 -9.554 2.916 439 1HD LYS 57 2HD LYS 57 4.276 -11.980 1.062 440 2HD LYS 57 3HD LYS 57 4.105 -12.168 2.803 441 1HE LYS 57 2HE LYS 57 1.926 -12.223 1.626 442 2HE LYS 57 3HE LYS 57 2.035 -10.996 2.893 443 1HZ LYS 57 1HZ LYS 57 1.003 -10.219 0.821 444 2HZ LYS 57 2HZ LYS 57 2.310 -9.317 1.242 445 3HZ LYS 57 3HZ LYS 57 2.429 -10.427 0.029 446 H THR 58 H THR 58 5.548 -5.931 0.224 447 HA THR 58 HA THR 58 6.738 -6.211 -2.435 448 HB THR 58 HB THR 58 6.591 -3.795 -2.504 449 HG1 THR 58 1HG THR 58 5.600 -3.855 0.158 450 1HG2 THR 58 1HG2 THR 58 4.185 -5.073 -1.189 451 2HG2 THR 58 2HG2 THR 58 4.169 -3.559 -2.106 452 3HG2 THR 58 3HG2 THR 58 4.558 -5.089 -2.928 453 H GLY 59 H GLY 59 7.844 -5.357 0.782 454 1HA GLY 59 2HA GLY 59 9.791 -4.982 1.666 455 2HA GLY 59 3HA GLY 59 10.529 -6.035 0.430 456 H LYS 60 H LYS 60 8.842 -2.971 -0.130 457 HA LYS 60 HA LYS 60 11.331 -1.568 -0.986 458 1HB LYS 60 2HB LYS 60 8.524 -0.458 -0.679 459 2HB LYS 60 3HB LYS 60 9.850 0.229 -1.596 460 1HG LYS 60 2HG LYS 60 8.092 -2.127 -2.262 461 2HG LYS 60 3HG LYS 60 8.340 -0.659 -3.199 462 1HD LYS 60 2HD LYS 60 10.308 -2.969 -2.848 463 2HD LYS 60 3HD LYS 60 9.348 -2.629 -4.264 464 1HE LYS 60 2HE LYS 60 10.903 -0.243 -3.514 465 2HE LYS 60 3HE LYS 60 11.972 -1.643 -3.639 466 1HZ LYS 60 1HZ LYS 60 11.715 -0.390 -5.712 467 2HZ LYS 60 2HZ LYS 60 11.179 -1.940 -5.892 468 3HZ LYS 60 3HZ LYS 60 10.126 -0.678 -5.736 469 H THR 61 H THR 61 11.392 0.799 0.243 470 HA THR 61 HA THR 61 11.217 0.394 3.096 471 HB THR 61 HB THR 61 11.424 3.069 1.866 472 HG1 THR 61 1HG THR 61 13.174 2.562 0.803 473 1HG2 THR 61 1HG2 THR 61 13.092 3.408 3.628 474 2HG2 THR 61 2HG2 THR 61 11.564 2.825 4.318 475 3HG2 THR 61 3HG2 THR 61 12.940 1.710 4.122 476 H VAL 62 H VAL 62 8.901 -0.409 2.517 477 HA VAL 62 HA VAL 62 6.893 1.598 1.968 478 HB VAL 62 HB VAL 62 6.429 -0.374 0.979 479 1HG1 VAL 62 1HG1 VAL 62 7.715 -2.065 2.002 480 2HG1 VAL 62 2HG1 VAL 62 6.977 -1.795 3.590 481 3HG1 VAL 62 3HG1 VAL 62 6.045 -2.551 2.280 482 1HG2 VAL 62 1HG2 VAL 62 4.256 -0.973 1.736 483 2HG2 VAL 62 2HG2 VAL 62 4.603 -0.493 3.401 484 3HG2 VAL 62 3HG2 VAL 62 4.487 0.740 2.126 485 H SER 63 H SER 63 6.845 3.070 3.391 486 HA SER 63 HA SER 63 6.970 2.580 6.295 487 1HB SER 63 2HB SER 63 6.952 5.149 4.656 488 2HB SER 63 3HB SER 63 7.348 4.996 6.379 489 HG SER 63 HG SER 63 8.756 3.746 4.212 490 H TYR 64 H TYR 64 5.166 2.680 7.544 491 HA TYR 64 HA TYR 64 2.519 3.039 6.277 492 1HB TYR 64 2HB TYR 64 2.768 1.043 7.524 493 2HB TYR 64 3HB TYR 64 3.629 1.852 8.829 494 HD1 TYR 64 HD1 TYR 64 0.271 2.165 7.127 495 HD2 TYR 64 HD2 TYR 64 2.495 2.195 10.822 496 HE1 TYR 64 HE1 TYR 64 -1.829 2.456 8.407 497 HE2 TYR 64 HE2 TYR 64 0.404 2.554 12.080 498 HH TYR 64 HH TYR 64 -1.885 2.729 11.955 499 H LEU 65 H LEU 65 1.293 4.893 6.593 500 HA LEU 65 HA LEU 65 2.138 6.789 8.769 501 1HB LEU 65 2HB LEU 65 1.045 7.371 6.050 502 2HB LEU 65 3HB LEU 65 1.143 8.507 7.394 503 HG LEU 65 HG LEU 65 3.704 7.743 7.456 504 1HD1 LEU 65 1HD1 LEU 65 3.635 6.063 5.782 505 2HD1 LEU 65 2HD1 LEU 65 2.801 7.109 4.622 506 3HD1 LEU 65 3HD1 LEU 65 4.497 7.433 5.073 507 1HD2 LEU 65 1HD2 LEU 65 4.181 9.669 5.986 508 2HD2 LEU 65 2HD2 LEU 65 2.482 9.652 5.437 509 3HD2 LEU 65 3HD2 LEU 65 2.873 9.984 7.147 510 H GLY 66 H GLY 66 0.700 5.435 10.114 511 1HA GLY 66 2HA GLY 66 -1.123 5.469 11.467 512 2HA GLY 66 3HA GLY 66 -1.406 7.071 10.779 513 H LEU 67 H LEU 67 -3.579 6.305 11.518 514 HA LEU 67 HA LEU 67 -5.129 5.000 9.335 515 1HB LEU 67 2HB LEU 67 -5.488 5.268 12.333 516 2HB LEU 67 3HB LEU 67 -6.917 5.239 11.310 517 HG LEU 67 HG LEU 67 -4.835 3.071 10.980 518 1HD1 LEU 67 1HD1 LEU 67 -5.333 3.103 13.391 519 2HD1 LEU 67 2HD1 LEU 67 -7.078 3.118 13.048 520 3HD1 LEU 67 3HD1 LEU 67 -6.097 1.700 12.622 521 1HD2 LEU 67 1HD2 LEU 67 -7.884 3.126 10.697 522 2HD2 LEU 67 2HD2 LEU 67 -6.758 3.328 9.350 523 3HD2 LEU 67 3HD2 LEU 67 -6.811 1.791 10.247 524 H GLU 68 H GLU 68 -6.544 6.335 8.311 525 HA GLU 68 HA GLU 68 -6.808 9.188 9.121 526 1HB GLU 68 2HB GLU 68 -7.908 7.657 6.742 527 2HB GLU 68 3HB GLU 68 -7.968 9.402 6.975 528 1HG GLU 68 2HG GLU 68 -5.527 9.550 6.741 529 2HG GLU 68 3HG GLU 68 -5.383 7.786 6.656 Start of MODEL 12 1 1H MET 1 H1 MET 1 -12.224 7.853 9.174 2 2H MET 1 H2 MET 1 -13.213 7.195 10.282 3 3H MET 1 H3 MET 1 -11.750 6.515 9.872 4 HA MET 1 HA MET 1 -13.809 5.397 8.987 5 1HB MET 1 2HB MET 1 -14.535 6.323 6.776 6 2HB MET 1 3HB MET 1 -15.083 7.179 8.221 7 1HG MET 1 2HG MET 1 -13.391 8.933 7.870 8 2HG MET 1 3HG MET 1 -12.808 8.091 6.422 9 1HE MET 1 1HE MET 1 -13.478 11.123 6.561 10 2HE MET 1 2HE MET 1 -12.922 10.289 5.092 11 3HE MET 1 3HE MET 1 -14.363 11.333 5.029 12 HA PRO 2 HA PRO 2 -9.885 4.057 8.672 13 1HB PRO 2 2HB PRO 2 -10.082 1.405 7.726 14 2HB PRO 2 3HB PRO 2 -10.366 2.002 9.382 15 1HG PRO 2 2HG PRO 2 -12.388 1.576 7.179 16 2HG PRO 2 3HG PRO 2 -12.499 1.059 8.889 17 1HD PRO 2 2HD PRO 2 -13.751 3.279 8.086 18 2HD PRO 2 3HD PRO 2 -12.804 3.340 9.610 19 H LYS 3 H LYS 3 -8.901 5.451 7.242 20 HA LYS 3 HA LYS 3 -7.899 3.992 4.875 21 1HB LYS 3 2HB LYS 3 -7.532 5.917 3.674 22 2HB LYS 3 3HB LYS 3 -9.036 6.250 4.491 23 1HG LYS 3 2HG LYS 3 -7.426 7.469 6.271 24 2HG LYS 3 3HG LYS 3 -6.257 7.336 4.958 25 1HD LYS 3 2HD LYS 3 -7.183 9.362 4.358 26 2HD LYS 3 3HD LYS 3 -8.282 8.296 3.478 27 1HE LYS 3 2HE LYS 3 -8.715 9.754 6.107 28 2HE LYS 3 3HE LYS 3 -9.664 9.876 4.624 29 1HZ LYS 3 1HZ LYS 3 -10.705 8.689 6.399 30 2HZ LYS 3 2HZ LYS 3 -10.557 7.674 5.071 31 3HZ LYS 3 3HZ LYS 3 -9.619 7.518 6.442 32 H HIS 4 H HIS 4 -5.735 4.044 4.472 33 HA HIS 4 HA HIS 4 -3.997 4.242 6.878 34 1HB HIS 4 2HB HIS 4 -4.319 1.800 5.087 35 2HB HIS 4 3HB HIS 4 -3.334 1.923 6.531 36 HD1 HIS 4 1HD HIS 4 -5.887 3.322 8.218 37 HD2 HIS 4 2HD HIS 4 -5.883 -0.156 5.862 38 HE1 HIS 4 1HE HIS 4 -7.840 1.879 9.023 39 H GLU 5 H GLU 5 -2.583 5.747 6.086 40 HA GLU 5 HA GLU 5 -1.748 5.645 3.253 41 1HB GLU 5 2HB GLU 5 -2.275 7.851 4.236 42 2HB GLU 5 3HB GLU 5 -0.947 7.633 5.396 43 1HG GLU 5 2HG GLU 5 0.664 7.453 3.508 44 2HG GLU 5 3HG GLU 5 -0.668 7.572 2.354 45 H PHE 6 H PHE 6 0.150 4.828 2.614 46 HA PHE 6 HA PHE 6 2.295 4.302 4.602 47 1HB PHE 6 2HB PHE 6 1.539 2.583 2.224 48 2HB PHE 6 3HB PHE 6 3.011 2.401 3.174 49 HD1 PHE 6 1HD PHE 6 -0.778 2.405 3.661 50 HD2 PHE 6 2HD PHE 6 3.045 0.848 4.974 51 HE1 PHE 6 1HE PHE 6 -1.899 0.638 4.931 52 HE2 PHE 6 2HE PHE 6 1.934 -1.089 5.875 53 HZ PHE 6 HZ PHE 6 -0.583 -1.271 5.790 54 H SER 7 H SER 7 4.209 5.151 4.025 55 HA SER 7 HA SER 7 4.530 6.439 1.348 56 1HB SER 7 2HB SER 7 5.277 7.707 3.303 57 2HB SER 7 3HB SER 7 6.389 6.402 3.763 58 HG SER 7 HG SER 7 7.395 6.778 1.663 59 H VAL 8 H VAL 8 5.710 5.338 -0.168 60 HA VAL 8 HA VAL 8 6.944 2.703 0.475 61 HB VAL 8 HB VAL 8 4.694 3.060 -1.530 62 1HG1 VAL 8 1HG1 VAL 8 6.322 1.226 -2.005 63 2HG1 VAL 8 2HG1 VAL 8 5.899 0.503 -0.431 64 3HG1 VAL 8 3HG1 VAL 8 4.679 0.647 -1.707 65 1HG2 VAL 8 1HG2 VAL 8 3.343 1.562 0.050 66 2HG2 VAL 8 2HG2 VAL 8 4.553 1.941 1.283 67 3HG2 VAL 8 3HG2 VAL 8 3.566 3.234 0.570 68 H ASP 9 H ASP 9 8.922 3.113 -0.495 69 HA ASP 9 HA ASP 9 9.302 4.859 -2.643 70 1HB ASP 9 2HB ASP 9 11.132 4.314 -1.186 71 2HB ASP 9 3HB ASP 9 11.122 2.622 -1.744 72 H MET 10 H MET 10 7.580 4.217 -4.060 73 HA MET 10 HA MET 10 8.088 1.944 -5.841 74 1HB MET 10 2HB MET 10 6.027 4.175 -5.905 75 2HB MET 10 3HB MET 10 6.091 2.826 -7.056 76 1HG MET 10 2HG MET 10 5.795 1.203 -5.262 77 2HG MET 10 3HG MET 10 5.755 2.484 -4.050 78 1HE MET 10 1HE MET 10 2.345 4.218 -4.725 79 2HE MET 10 2HE MET 10 3.824 4.199 -3.737 80 3HE MET 10 3HE MET 10 3.890 4.696 -5.447 81 H THR 11 H THR 11 10.063 2.319 -6.792 82 HA THR 11 HA THR 11 10.887 4.955 -7.572 83 HB THR 11 HB THR 11 12.861 3.841 -8.513 84 HG1 THR 11 1HG THR 11 11.650 1.397 -7.727 85 1HG2 THR 11 1HG2 THR 11 12.786 4.315 -6.091 86 2HG2 THR 11 2HG2 THR 11 12.062 2.729 -5.779 87 3HG2 THR 11 3HG2 THR 11 13.707 2.842 -6.429 88 H CYS 12 HN CYS 12 9.404 2.248 -9.355 89 HA CYS 12 HA CYS 12 9.005 4.028 -11.678 90 1HB CYS 12 2HB CYS 12 9.745 2.339 -13.228 91 2HB CYS 12 3HB CYS 12 11.046 2.599 -12.067 92 H GLY 13 H GLY 13 7.385 2.986 -13.152 93 1HA GLY 13 2HA GLY 13 4.919 2.410 -12.044 94 2HA GLY 13 3HA GLY 13 5.448 1.855 -13.642 95 H GLY 14 H GLY 14 7.498 0.112 -12.959 96 1HA GLY 14 2HA GLY 14 6.270 -2.314 -12.546 97 2HA GLY 14 3HA GLY 14 7.988 -1.977 -12.240 98 H CYS 15 HN CYS 15 7.600 -0.099 -10.022 99 HA CYS 15 HA CYS 15 7.315 -2.058 -7.891 100 1HB CYS 15 2HB CYS 15 7.529 0.956 -7.825 101 2HB CYS 15 3HB CYS 15 7.562 -0.133 -6.420 102 H ALA 16 H ALA 16 5.267 0.562 -9.260 103 HA ALA 16 HA ALA 16 3.176 0.336 -7.276 104 1HB ALA 16 1HB ALA 16 3.129 1.363 -10.144 105 2HB ALA 16 2HB ALA 16 1.761 1.417 -9.030 106 3HB ALA 16 3HB ALA 16 3.243 2.304 -8.636 107 H GLU 17 H GLU 17 3.691 -1.165 -10.494 108 HA GLU 17 HA GLU 17 1.406 -2.815 -10.562 109 1HB GLU 17 2HB GLU 17 4.220 -3.309 -11.613 110 2HB GLU 17 3HB GLU 17 2.811 -4.276 -12.045 111 1HG GLU 17 2HG GLU 17 1.755 -2.440 -13.160 112 2HG GLU 17 3HG GLU 17 2.893 -1.260 -12.503 113 H ALA 18 H ALA 18 4.673 -3.512 -9.193 114 HA ALA 18 HA ALA 18 4.115 -6.094 -8.232 115 1HB ALA 18 1HB ALA 18 5.984 -4.018 -7.024 116 2HB ALA 18 2HB ALA 18 6.033 -5.765 -6.742 117 3HB ALA 18 3HB ALA 18 6.384 -5.120 -8.361 118 H VAL 19 H VAL 19 3.831 -2.928 -6.474 119 HA VAL 19 HA VAL 19 2.911 -3.961 -4.046 120 HB VAL 19 HB VAL 19 2.451 -1.323 -5.501 121 1HG1 VAL 19 1HG1 VAL 19 1.862 -0.551 -3.132 122 2HG1 VAL 19 2HG1 VAL 19 0.648 -1.517 -3.989 123 3HG1 VAL 19 3HG1 VAL 19 1.682 -2.298 -2.760 124 1HG2 VAL 19 1HG2 VAL 19 4.195 -0.433 -4.210 125 2HG2 VAL 19 2HG2 VAL 19 4.176 -1.744 -3.040 126 3HG2 VAL 19 3HG2 VAL 19 4.847 -2.020 -4.647 127 H SER 20 H SER 20 1.130 -2.900 -6.945 128 HA SER 20 HA SER 20 -1.474 -3.322 -5.980 129 1HB SER 20 2HB SER 20 -0.648 -2.220 -8.176 130 2HB SER 20 3HB SER 20 -0.582 -3.826 -8.876 131 HG SER 20 HG SER 20 -2.593 -2.710 -9.230 132 H ARG 21 H ARG 21 0.631 -5.526 -7.808 133 HA ARG 21 HA ARG 21 -0.978 -7.790 -7.866 134 1HB ARG 21 2HB ARG 21 0.799 -8.571 -8.889 135 2HB ARG 21 3HB ARG 21 1.729 -7.167 -8.437 136 1HG ARG 21 2HG ARG 21 2.484 -8.269 -6.355 137 2HG ARG 21 3HG ARG 21 1.606 -9.722 -6.776 138 1HD ARG 21 2HD ARG 21 3.919 -8.384 -8.231 139 2HD ARG 21 3HD ARG 21 3.977 -9.925 -7.351 140 HE ARG 21 HE ARG 21 2.056 -10.310 -9.318 141 1HH1 ARG 21 2HH2 ARG 21 5.480 -9.469 -9.261 142 2HH1 ARG 21 1HH2 ARG 21 5.825 -10.045 -10.860 143 1HH2 ARG 21 2HH1 ARG 21 2.474 -11.100 -11.464 144 2HH2 ARG 21 1HH1 ARG 21 4.073 -11.022 -12.125 145 H VAL 22 H VAL 22 0.918 -6.578 -5.100 146 HA VAL 22 HA VAL 22 0.582 -8.953 -3.488 147 HB VAL 22 HB VAL 22 2.003 -6.323 -3.477 148 1HG1 VAL 22 1HG1 VAL 22 1.137 -7.655 -0.933 149 2HG1 VAL 22 2HG1 VAL 22 2.518 -6.550 -1.048 150 3HG1 VAL 22 3HG1 VAL 22 0.905 -5.953 -1.480 151 1HG2 VAL 22 1HG2 VAL 22 3.844 -7.553 -2.723 152 2HG2 VAL 22 2HG2 VAL 22 2.859 -9.019 -2.462 153 3HG2 VAL 22 3HG2 VAL 22 3.122 -8.383 -4.109 154 H LEU 23 H LEU 23 -0.639 -5.558 -3.345 155 HA LEU 23 HA LEU 23 -2.491 -6.033 -1.175 156 1HB LEU 23 2HB LEU 23 -1.953 -3.904 -3.241 157 2HB LEU 23 3HB LEU 23 -3.518 -3.855 -2.522 158 HG LEU 23 HG LEU 23 -0.842 -3.862 -1.021 159 1HD1 LEU 23 1HD1 LEU 23 -1.275 -1.794 -2.384 160 2HD1 LEU 23 2HD1 LEU 23 -2.838 -1.626 -1.537 161 3HD1 LEU 23 3HD1 LEU 23 -1.305 -1.482 -0.639 162 1HD2 LEU 23 1HD2 LEU 23 -2.607 -4.707 0.451 163 2HD2 LEU 23 2HD2 LEU 23 -2.382 -3.002 0.846 164 3HD2 LEU 23 3HD2 LEU 23 -3.738 -3.499 -0.200 165 H ASN 24 H ASN 24 -2.969 -6.238 -4.713 166 HA ASN 24 HA ASN 24 -5.688 -6.923 -4.716 167 1HB ASN 24 2HB ASN 24 -4.503 -6.778 -6.818 168 2HB ASN 24 3HB ASN 24 -3.323 -7.985 -6.299 169 1HD2 ASN 24 1HD2 ASN 24 -6.931 -8.036 -6.068 170 2HD2 ASN 24 2HD2 ASN 24 -7.072 -9.547 -6.942 171 H LYS 25 H LYS 25 -2.886 -8.886 -3.708 172 HA LYS 25 HA LYS 25 -4.378 -11.370 -3.491 173 1HB LYS 25 2HB LYS 25 -1.625 -10.595 -3.453 174 2HB LYS 25 3HB LYS 25 -1.964 -11.205 -1.854 175 1HG LYS 25 2HG LYS 25 -1.507 -13.193 -2.679 176 2HG LYS 25 3HG LYS 25 -3.120 -13.215 -3.356 177 1HD LYS 25 2HD LYS 25 -0.569 -12.255 -4.793 178 2HD LYS 25 3HD LYS 25 -1.222 -13.885 -4.883 179 1HE LYS 25 2HE LYS 25 -1.839 -12.714 -6.892 180 2HE LYS 25 3HE LYS 25 -3.293 -13.067 -5.947 181 1HZ LYS 25 1HZ LYS 25 -3.327 -10.805 -6.800 182 2HZ LYS 25 2HZ LYS 25 -3.258 -10.825 -5.177 183 3HZ LYS 25 3HZ LYS 25 -1.913 -10.436 -6.012 184 H LEU 26 H LEU 26 -3.868 -8.587 -1.431 185 HA LEU 26 HA LEU 26 -4.707 -9.722 1.073 186 1HB LEU 26 2HB LEU 26 -3.743 -7.359 0.618 187 2HB LEU 26 3HB LEU 26 -5.352 -6.934 0.043 188 HG LEU 26 HG LEU 26 -5.182 -6.085 2.152 189 1HD1 LEU 26 1HD1 LEU 26 -6.861 -8.496 2.626 190 2HD1 LEU 26 2HD1 LEU 26 -7.078 -6.797 3.121 191 3HD1 LEU 26 3HD1 LEU 26 -7.272 -7.248 1.413 192 1HD2 LEU 26 1HD2 LEU 26 -4.865 -7.418 4.189 193 2HD2 LEU 26 2HD2 LEU 26 -4.369 -8.808 3.197 194 3HD2 LEU 26 3HD2 LEU 26 -3.430 -7.290 3.168 195 H GLY 27 H GLY 27 -6.474 -8.079 -1.579 196 1HA GLY 27 2HA GLY 27 -8.275 -9.417 -2.573 197 2HA GLY 27 3HA GLY 27 -8.933 -9.700 -0.965 198 H GLY 28 H GLY 28 -10.014 -7.909 0.188 199 1HA GLY 28 2HA GLY 28 -11.591 -6.470 -1.815 200 2HA GLY 28 3HA GLY 28 -11.924 -6.668 -0.090 201 H VAL 29 H VAL 29 -9.048 -5.357 -1.743 202 HA VAL 29 HA VAL 29 -9.172 -2.977 0.058 203 HB VAL 29 HB VAL 29 -6.805 -2.660 -0.652 204 1HG1 VAL 29 1HG1 VAL 29 -5.934 -4.563 0.682 205 2HG1 VAL 29 2HG1 VAL 29 -7.379 -3.854 1.453 206 3HG1 VAL 29 3HG1 VAL 29 -7.507 -5.361 0.525 207 1HG2 VAL 29 1HG2 VAL 29 -5.593 -4.293 -1.822 208 2HG2 VAL 29 2HG2 VAL 29 -6.874 -5.518 -1.684 209 3HG2 VAL 29 3HG2 VAL 29 -7.069 -4.160 -2.800 210 H LYS 30 H LYS 30 -9.018 -0.851 -0.752 211 HA LYS 30 HA LYS 30 -8.561 -0.539 -3.565 212 1HB LYS 30 2HB LYS 30 -11.053 0.521 -2.227 213 2HB LYS 30 3HB LYS 30 -10.209 1.592 -3.354 214 1HG LYS 30 2HG LYS 30 -10.981 -1.247 -4.053 215 2HG LYS 30 3HG LYS 30 -12.023 0.148 -4.377 216 1HD LYS 30 2HD LYS 30 -10.637 1.022 -6.050 217 2HD LYS 30 3HD LYS 30 -9.166 0.333 -5.409 218 1HE LYS 30 2HE LYS 30 -9.739 -0.799 -7.469 219 2HE LYS 30 3HE LYS 30 -9.774 -1.918 -6.099 220 1HZ LYS 30 1HZ LYS 30 -12.145 -0.667 -7.333 221 2HZ LYS 30 2HZ LYS 30 -11.656 -2.223 -7.548 222 3HZ LYS 30 3HZ LYS 30 -12.164 -1.723 -6.068 223 H TYR 31 H TYR 31 -7.276 1.204 -3.964 224 HA TYR 31 HA TYR 31 -6.291 2.740 -1.763 225 1HB TYR 31 2HB TYR 31 -3.993 1.660 -1.962 226 2HB TYR 31 3HB TYR 31 -5.229 0.641 -1.226 227 HD1 TYR 31 HD1 TYR 31 -6.408 -1.159 -2.566 228 HD2 TYR 31 HD2 TYR 31 -2.682 0.668 -3.713 229 HE1 TYR 31 HE1 TYR 31 -6.085 -2.901 -4.282 230 HE2 TYR 31 HE2 TYR 31 -2.181 -1.307 -5.118 231 HH TYR 31 HH TYR 31 -4.589 -3.913 -5.686 232 H ASP 32 H ASP 32 -5.165 4.505 -2.497 233 HA ASP 32 HA ASP 32 -4.967 4.799 -5.459 234 1HB ASP 32 2HB ASP 32 -6.280 6.566 -4.319 235 2HB ASP 32 3HB ASP 32 -4.867 6.962 -3.322 236 H ILE 33 H ILE 33 -2.969 5.713 -6.238 237 HA ILE 33 HA ILE 33 -0.578 4.630 -4.799 238 HB ILE 33 HB ILE 33 -1.801 3.941 -7.487 239 1HG1 ILE 33 2HG1 ILE 33 -0.834 2.023 -5.338 240 2HG1 ILE 33 3HG1 ILE 33 -2.463 2.704 -5.253 241 1HG2 ILE 33 1HG2 ILE 33 0.560 4.205 -7.892 242 2HG2 ILE 33 2HG2 ILE 33 0.963 3.260 -6.440 243 3HG2 ILE 33 3HG2 ILE 33 0.186 2.486 -7.841 244 1HD1 ILE 33 1HD1 ILE 33 -2.803 0.664 -6.385 245 2HD1 ILE 33 2HD1 ILE 33 -2.976 1.933 -7.571 246 3HD1 ILE 33 3HD1 ILE 33 -1.481 0.962 -7.526 247 H ASP 34 H ASP 34 0.373 6.622 -4.566 248 HA ASP 34 HA ASP 34 0.645 8.391 -6.951 249 1HB ASP 34 2HB ASP 34 0.060 9.431 -4.780 250 2HB ASP 34 3HB ASP 34 1.624 8.869 -4.148 251 H LEU 35 H LEU 35 2.148 7.645 -8.253 252 HA LEU 35 HA LEU 35 4.500 6.135 -7.425 253 1HB LEU 35 2HB LEU 35 3.308 7.106 -9.997 254 2HB LEU 35 3HB LEU 35 5.056 6.895 -9.970 255 HG LEU 35 HG LEU 35 3.239 4.699 -8.935 256 1HD1 LEU 35 1HD1 LEU 35 2.395 5.267 -11.188 257 2HD1 LEU 35 2HD1 LEU 35 4.036 5.092 -11.852 258 3HD1 LEU 35 3HD1 LEU 35 3.189 3.686 -11.170 259 1HD2 LEU 35 1HD2 LEU 35 5.137 3.253 -9.644 260 2HD2 LEU 35 2HD2 LEU 35 5.967 4.654 -10.335 261 3HD2 LEU 35 3HD2 LEU 35 5.732 4.546 -8.584 262 HA PRO 36 HA PRO 36 6.919 10.039 -8.768 263 1HB PRO 36 2HB PRO 36 5.633 12.525 -8.534 264 2HB PRO 36 3HB PRO 36 5.932 11.613 -10.040 265 1HG PRO 36 2HG PRO 36 3.439 11.652 -8.344 266 2HG PRO 36 3HG PRO 36 3.559 11.738 -10.124 267 1HD PRO 36 2HD PRO 36 2.932 9.452 -8.918 268 2HD PRO 36 3HD PRO 36 4.091 9.413 -10.275 269 H ASN 37 H ASN 37 4.426 10.374 -6.240 270 HA ASN 37 HA ASN 37 6.480 11.431 -4.333 271 1HB ASN 37 2HB ASN 37 3.479 11.320 -3.961 272 2HB ASN 37 3HB ASN 37 4.656 12.086 -2.925 273 1HD2 ASN 37 1HD2 ASN 37 2.492 12.696 -5.453 274 2HD2 ASN 37 2HD2 ASN 37 3.163 14.247 -5.965 275 H LYS 38 H LYS 38 5.584 8.402 -5.249 276 HA LYS 38 HA LYS 38 5.796 6.371 -4.226 277 1HB LYS 38 2HB LYS 38 7.726 8.122 -2.618 278 2HB LYS 38 3HB LYS 38 7.666 6.390 -2.480 279 1HG LYS 38 2HG LYS 38 9.301 6.518 -4.088 280 2HG LYS 38 3HG LYS 38 7.879 6.437 -5.134 281 1HD LYS 38 2HD LYS 38 7.931 9.016 -5.065 282 2HD LYS 38 3HD LYS 38 9.507 8.868 -4.278 283 1HE LYS 38 2HE LYS 38 10.349 7.595 -6.256 284 2HE LYS 38 3HE LYS 38 8.735 7.659 -6.986 285 1HZ LYS 38 1HZ LYS 38 10.473 9.967 -6.451 286 2HZ LYS 38 2HZ LYS 38 10.031 9.368 -7.925 287 3HZ LYS 38 3HZ LYS 38 8.910 10.081 -6.938 288 H LYS 39 H LYS 39 3.385 6.860 -3.549 289 HA LYS 39 HA LYS 39 3.187 6.321 -0.648 290 1HB LYS 39 2HB LYS 39 2.325 8.845 -2.038 291 2HB LYS 39 3HB LYS 39 1.154 8.101 -0.949 292 1HG LYS 39 2HG LYS 39 2.864 8.066 0.843 293 2HG LYS 39 3HG LYS 39 3.989 8.955 -0.215 294 1HD LYS 39 2HD LYS 39 2.468 10.864 -0.316 295 2HD LYS 39 3HD LYS 39 1.160 9.904 0.394 296 1HE LYS 39 2HE LYS 39 2.672 9.634 2.470 297 2HE LYS 39 3HE LYS 39 3.624 10.986 1.838 298 1HZ LYS 39 1HZ LYS 39 1.516 11.171 3.424 299 2HZ LYS 39 2HZ LYS 39 1.787 12.396 2.290 300 3HZ LYS 39 3HZ LYS 39 0.700 11.142 2.093 301 H VAL 40 H VAL 40 1.416 5.190 -0.043 302 HA VAL 40 HA VAL 40 -0.530 4.376 -2.135 303 HB VAL 40 HB VAL 40 0.663 2.648 0.076 304 1HG1 VAL 40 1HG1 VAL 40 -1.671 2.087 -0.433 305 2HG1 VAL 40 2HG1 VAL 40 -1.306 2.045 -2.171 306 3HG1 VAL 40 3HG1 VAL 40 -0.592 0.838 -1.079 307 1HG2 VAL 40 1HG2 VAL 40 1.087 2.585 -2.934 308 2HG2 VAL 40 2HG2 VAL 40 2.301 3.017 -1.700 309 3HG2 VAL 40 3HG2 VAL 40 1.672 1.368 -1.767 310 H CYS 41 H CYS 41 -2.481 5.184 -1.500 311 HA CYS 41 HA CYS 41 -3.097 5.514 1.446 312 1HB CYS 41 2HB CYS 41 -4.245 6.861 -1.024 313 2HB CYS 41 3HB CYS 41 -4.960 6.966 0.592 314 HG CYS 41 HG CYS 41 -1.897 7.829 -0.227 315 H ILE 42 H ILE 42 -3.768 3.522 2.000 316 HA ILE 42 HA ILE 42 -5.696 2.201 0.255 317 HB ILE 42 HB ILE 42 -4.436 1.614 2.945 318 1HG1 ILE 42 2HG1 ILE 42 -4.308 -0.510 0.922 319 2HG1 ILE 42 3HG1 ILE 42 -3.576 0.972 0.360 320 1HG2 ILE 42 1HG2 ILE 42 -5.628 -0.508 3.078 321 2HG2 ILE 42 2HG2 ILE 42 -6.741 0.828 3.184 322 3HG2 ILE 42 3HG2 ILE 42 -6.604 -0.078 1.656 323 1HD1 ILE 42 1HD1 ILE 42 -1.992 1.068 2.109 324 2HD1 ILE 42 2HD1 ILE 42 -2.812 -0.192 3.045 325 3HD1 ILE 42 3HD1 ILE 42 -1.980 -0.608 1.547 326 H GLU 43 H GLU 43 -7.978 2.102 0.686 327 HA GLU 43 HA GLU 43 -8.896 3.032 3.290 328 1HB GLU 43 2HB GLU 43 -8.920 5.100 1.862 329 2HB GLU 43 3HB GLU 43 -10.097 4.320 0.803 330 1HG GLU 43 2HG GLU 43 -11.756 4.285 2.551 331 2HG GLU 43 3HG GLU 43 -10.562 4.640 3.802 332 H SER 44 H SER 44 -9.975 1.290 4.010 333 HA SER 44 HA SER 44 -12.117 0.179 2.533 334 1HB SER 44 2HB SER 44 -10.227 -0.979 1.325 335 2HB SER 44 3HB SER 44 -9.784 -1.753 2.864 336 HG SER 44 HG SER 44 -11.332 -2.938 1.404 337 H GLU 45 H GLU 45 -12.682 -2.003 3.658 338 HA GLU 45 HA GLU 45 -13.291 -1.541 6.469 339 1HB GLU 45 2HB GLU 45 -14.854 -2.771 5.232 340 2HB GLU 45 3HB GLU 45 -13.653 -3.814 4.483 341 1HG GLU 45 2HG GLU 45 -14.210 -3.909 7.474 342 2HG GLU 45 3HG GLU 45 -15.162 -4.823 6.296 343 H HIS 46 H HIS 46 -11.362 -4.046 4.842 344 HA HIS 46 HA HIS 46 -10.120 -5.352 6.707 345 1HB HIS 46 2HB HIS 46 -8.778 -4.150 4.274 346 2HB HIS 46 3HB HIS 46 -8.032 -5.405 5.277 347 HD1 HIS 46 1HD HIS 46 -8.964 -7.864 5.059 348 HD2 HIS 46 2HD HIS 46 -10.257 -4.942 2.362 349 HE1 HIS 46 1HE HIS 46 -9.453 -9.056 2.870 350 H SER 47 H SER 47 -9.165 -4.872 8.585 351 HA SER 47 HA SER 47 -8.298 -2.369 9.417 352 1HB SER 47 2HB SER 47 -8.823 -4.261 10.933 353 2HB SER 47 3HB SER 47 -7.305 -5.052 10.436 354 HG SER 47 HG SER 47 -7.116 -3.820 12.391 355 H MET 48 H MET 48 -6.415 -1.317 9.618 356 HA MET 48 HA MET 48 -4.471 -1.375 7.715 357 1HB MET 48 2HB MET 48 -3.178 0.128 9.030 358 2HB MET 48 3HB MET 48 -4.886 0.459 9.343 359 1HG MET 48 2HG MET 48 -4.693 -1.056 11.346 360 2HG MET 48 3HG MET 48 -2.927 -0.979 11.132 361 1HE MET 48 1HE MET 48 -3.535 1.257 14.283 362 2HE MET 48 2HE MET 48 -4.445 -0.203 13.828 363 3HE MET 48 3HE MET 48 -2.675 -0.154 13.623 364 H ASP 49 H ASP 49 -4.495 -3.367 10.660 365 HA ASP 49 HA ASP 49 -1.749 -4.138 10.619 366 1HB ASP 49 2HB ASP 49 -3.156 -4.596 12.545 367 2HB ASP 49 3HB ASP 49 -4.190 -5.679 11.588 368 H THR 50 H THR 50 -4.621 -5.833 9.267 369 HA THR 50 HA THR 50 -3.406 -7.921 7.970 370 HB THR 50 HB THR 50 -5.626 -6.660 6.441 371 HG1 THR 50 1HG THR 50 -6.269 -5.733 8.246 372 1HG2 THR 50 1HG2 THR 50 -6.717 -8.804 6.899 373 2HG2 THR 50 2HG2 THR 50 -5.049 -9.083 6.353 374 3HG2 THR 50 3HG2 THR 50 -5.459 -9.224 8.080 375 H LEU 51 H LEU 51 -4.039 -4.596 6.703 376 HA LEU 51 HA LEU 51 -2.947 -4.992 4.115 377 1HB LEU 51 2HB LEU 51 -3.363 -2.568 5.900 378 2HB LEU 51 3HB LEU 51 -2.599 -2.436 4.345 379 HG LEU 51 HG LEU 51 -5.120 -2.020 4.701 380 1HD1 LEU 51 1HD1 LEU 51 -3.863 -2.037 2.583 381 2HD1 LEU 51 2HD1 LEU 51 -4.123 -3.786 2.435 382 3HD1 LEU 51 3HD1 LEU 51 -5.503 -2.659 2.335 383 1HD2 LEU 51 1HD2 LEU 51 -6.607 -3.842 4.094 384 2HD2 LEU 51 2HD2 LEU 51 -5.314 -5.026 4.291 385 3HD2 LEU 51 3HD2 LEU 51 -5.897 -4.088 5.689 386 H LEU 52 H LEU 52 -1.514 -3.476 7.020 387 HA LEU 52 HA LEU 52 1.076 -3.022 6.302 388 1HB LEU 52 2HB LEU 52 -0.270 -3.687 8.827 389 2HB LEU 52 3HB LEU 52 1.377 -4.269 8.741 390 HG LEU 52 HG LEU 52 1.886 -1.759 7.982 391 1HD1 LEU 52 1HD1 LEU 52 -0.593 -1.170 7.955 392 2HD1 LEU 52 2HD1 LEU 52 -0.634 -1.474 9.698 393 3HD1 LEU 52 3HD1 LEU 52 0.372 -0.171 9.049 394 1HD2 LEU 52 1HD2 LEU 52 1.254 -2.625 10.813 395 2HD2 LEU 52 2HD2 LEU 52 2.796 -2.831 9.948 396 3HD2 LEU 52 3HD2 LEU 52 2.222 -1.202 10.354 397 H ALA 53 H ALA 53 -0.117 -6.174 7.557 398 HA ALA 53 HA ALA 53 2.413 -7.485 7.392 399 1HB ALA 53 1HB ALA 53 0.487 -8.306 8.740 400 2HB ALA 53 2HB ALA 53 -0.408 -8.665 7.249 401 3HB ALA 53 3HB ALA 53 1.080 -9.558 7.629 402 H THR 54 H THR 54 -0.303 -7.326 5.002 403 HA THR 54 HA THR 54 1.095 -8.943 3.081 404 HB THR 54 HB THR 54 -1.172 -6.929 2.847 405 HG1 THR 54 1HG THR 54 -1.087 -9.767 3.067 406 1HG2 THR 54 1HG2 THR 54 -1.718 -8.346 0.794 407 2HG2 THR 54 2HG2 THR 54 -0.370 -7.206 0.654 408 3HG2 THR 54 3HG2 THR 54 -0.051 -8.951 0.879 409 H LEU 55 H LEU 55 0.922 -5.370 3.620 410 HA LEU 55 HA LEU 55 2.108 -4.799 1.127 411 1HB LEU 55 2HB LEU 55 0.874 -3.327 3.300 412 2HB LEU 55 3HB LEU 55 2.394 -2.556 2.927 413 HG LEU 55 HG LEU 55 0.057 -2.956 1.092 414 1HD1 LEU 55 1HD1 LEU 55 0.034 -1.080 2.691 415 2HD1 LEU 55 2HD1 LEU 55 1.625 -0.539 2.118 416 3HD1 LEU 55 3HD1 LEU 55 0.231 -0.468 1.033 417 1HD2 LEU 55 1HD2 LEU 55 2.928 -2.217 0.432 418 2HD2 LEU 55 2HD2 LEU 55 1.835 -3.344 -0.412 419 3HD2 LEU 55 3HD2 LEU 55 1.565 -1.604 -0.528 420 H LYS 56 H LYS 56 3.483 -5.244 4.436 421 HA LYS 56 HA LYS 56 6.120 -4.607 4.017 422 1HB LYS 56 2HB LYS 56 4.532 -6.341 5.730 423 2HB LYS 56 3HB LYS 56 5.942 -7.219 5.236 424 1HG LYS 56 2HG LYS 56 6.403 -6.012 7.218 425 2HG LYS 56 3HG LYS 56 7.395 -5.334 5.927 426 1HD LYS 56 2HD LYS 56 6.677 -3.306 6.664 427 2HD LYS 56 3HD LYS 56 5.155 -3.662 5.857 428 1HE LYS 56 2HE LYS 56 5.860 -4.058 8.799 429 2HE LYS 56 3HE LYS 56 4.678 -2.946 8.094 430 1HZ LYS 56 1HZ LYS 56 4.497 -5.883 8.192 431 2HZ LYS 56 2HZ LYS 56 3.515 -4.798 8.939 432 3HZ LYS 56 3HZ LYS 56 3.504 -4.947 7.287 433 H LYS 57 H LYS 57 4.371 -7.340 2.502 434 HA LYS 57 HA LYS 57 6.789 -8.678 1.704 435 1HB LYS 57 2HB LYS 57 3.982 -9.029 0.596 436 2HB LYS 57 3HB LYS 57 5.345 -10.144 0.448 437 1HG LYS 57 2HG LYS 57 5.427 -10.360 2.941 438 2HG LYS 57 3HG LYS 57 3.988 -9.333 3.065 439 1HD LYS 57 2HD LYS 57 2.709 -10.952 1.688 440 2HD LYS 57 3HD LYS 57 4.139 -12.012 1.635 441 1HE LYS 57 2HE LYS 57 4.121 -12.112 4.151 442 2HE LYS 57 3HE LYS 57 2.671 -11.095 4.173 443 1HZ LYS 57 1HZ LYS 57 2.866 -13.788 2.983 444 2HZ LYS 57 2HZ LYS 57 2.139 -13.406 4.405 445 3HZ LYS 57 3HZ LYS 57 1.512 -12.847 2.993 446 H THR 58 H THR 58 5.396 -5.786 0.468 447 HA THR 58 HA THR 58 6.243 -6.121 -2.296 448 HB THR 58 HB THR 58 6.126 -3.707 -2.424 449 HG1 THR 58 1HG THR 58 5.544 -3.620 0.342 450 1HG2 THR 58 1HG2 THR 58 3.767 -3.422 -1.775 451 2HG2 THR 58 2HG2 THR 58 4.042 -5.044 -2.461 452 3HG2 THR 58 3HG2 THR 58 3.862 -4.820 -0.716 453 H GLY 59 H GLY 59 7.748 -5.187 0.761 454 1HA GLY 59 2HA GLY 59 9.808 -4.525 1.312 455 2HA GLY 59 3HA GLY 59 10.437 -5.595 0.034 456 H LYS 60 H LYS 60 8.460 -2.567 -0.059 457 HA LYS 60 HA LYS 60 10.822 -1.097 -1.172 458 1HB LYS 60 2HB LYS 60 8.063 0.017 -0.780 459 2HB LYS 60 3HB LYS 60 9.373 0.637 -1.757 460 1HG LYS 60 2HG LYS 60 7.342 -1.463 -2.406 461 2HG LYS 60 3HG LYS 60 7.892 -0.090 -3.364 462 1HD LYS 60 2HD LYS 60 9.171 -2.810 -3.045 463 2HD LYS 60 3HD LYS 60 8.568 -2.049 -4.496 464 1HE LYS 60 2HE LYS 60 10.522 -1.036 -4.961 465 2HE LYS 60 3HE LYS 60 10.709 -0.399 -3.342 466 1HZ LYS 60 1HZ LYS 60 12.460 -1.901 -3.789 467 2HZ LYS 60 2HZ LYS 60 11.498 -2.639 -2.666 468 3HZ LYS 60 3HZ LYS 60 11.434 -3.106 -4.238 469 H THR 61 H THR 61 10.385 1.382 0.047 470 HA THR 61 HA THR 61 11.004 0.863 2.816 471 HB THR 61 HB THR 61 11.094 3.308 2.820 472 HG1 THR 61 1HG THR 61 9.436 3.760 1.479 473 1HG2 THR 61 1HG2 THR 61 12.458 2.206 0.309 474 2HG2 THR 61 2HG2 THR 61 12.898 3.676 1.188 475 3HG2 THR 61 3HG2 THR 61 13.095 2.093 1.964 476 H VAL 62 H VAL 62 8.750 -0.343 2.786 477 HA VAL 62 HA VAL 62 6.423 1.374 2.592 478 HB VAL 62 HB VAL 62 6.298 -0.646 1.629 479 1HG1 VAL 62 1HG1 VAL 62 6.574 -2.089 4.291 480 2HG1 VAL 62 2HG1 VAL 62 6.256 -2.807 2.698 481 3HG1 VAL 62 3HG1 VAL 62 7.819 -2.064 3.023 482 1HG2 VAL 62 1HG2 VAL 62 4.457 -0.902 4.028 483 2HG2 VAL 62 2HG2 VAL 62 4.217 0.280 2.725 484 3HG2 VAL 62 3HG2 VAL 62 4.201 -1.448 2.358 485 H SER 63 H SER 63 6.737 2.840 4.043 486 HA SER 63 HA SER 63 6.770 2.201 6.966 487 1HB SER 63 2HB SER 63 7.286 4.792 5.468 488 2HB SER 63 3HB SER 63 7.460 4.547 7.218 489 HG SER 63 HG SER 63 9.451 4.295 5.998 490 H TYR 64 H TYR 64 4.882 2.317 8.046 491 HA TYR 64 HA TYR 64 2.507 3.316 6.725 492 1HB TYR 64 2HB TYR 64 2.502 1.229 8.037 493 2HB TYR 64 3HB TYR 64 2.941 2.130 9.492 494 HD1 TYR 64 HD1 TYR 64 0.390 2.609 6.749 495 HD2 TYR 64 HD2 TYR 64 1.084 2.184 10.982 496 HE1 TYR 64 HE1 TYR 64 -1.836 3.494 7.214 497 HE2 TYR 64 HE2 TYR 64 -1.280 2.786 11.414 498 HH TYR 64 HH TYR 64 -2.910 4.662 9.190 499 H LEU 65 H LEU 65 1.333 5.124 7.205 500 HA LEU 65 HA LEU 65 2.384 7.073 9.170 501 1HB LEU 65 2HB LEU 65 0.957 7.564 6.558 502 2HB LEU 65 3HB LEU 65 1.218 8.778 7.811 503 HG LEU 65 HG LEU 65 3.759 7.871 7.670 504 1HD1 LEU 65 1HD1 LEU 65 2.705 7.560 4.833 505 2HD1 LEU 65 2HD1 LEU 65 4.386 7.364 5.408 506 3HD1 LEU 65 3HD1 LEU 65 3.136 6.222 5.914 507 1HD2 LEU 65 1HD2 LEU 65 2.508 9.881 5.784 508 2HD2 LEU 65 2HD2 LEU 65 3.084 10.185 7.441 509 3HD2 LEU 65 3HD2 LEU 65 4.240 9.740 6.163 510 H GLY 66 H GLY 66 0.186 8.635 9.558 511 1HA GLY 66 2HA GLY 66 -1.137 7.313 11.578 512 2HA GLY 66 3HA GLY 66 -1.697 8.801 10.807 513 H LEU 67 H LEU 67 -3.621 7.519 11.817 514 HA LEU 67 HA LEU 67 -4.982 5.782 9.806 515 1HB LEU 67 2HB LEU 67 -4.384 4.510 11.795 516 2HB LEU 67 3HB LEU 67 -4.935 5.815 12.849 517 HG LEU 67 HG LEU 67 -7.289 5.424 12.147 518 1HD1 LEU 67 1HD1 LEU 67 -6.098 3.049 10.651 519 2HD1 LEU 67 2HD1 LEU 67 -7.831 3.328 10.944 520 3HD1 LEU 67 3HD1 LEU 67 -6.928 4.440 9.910 521 1HD2 LEU 67 1HD2 LEU 67 -7.563 3.319 13.372 522 2HD2 LEU 67 2HD2 LEU 67 -5.833 2.966 13.193 523 3HD2 LEU 67 3HD2 LEU 67 -6.364 4.358 14.161 524 H GLU 68 H GLU 68 -6.950 6.586 9.119 525 HA GLU 68 HA GLU 68 -8.631 8.048 10.975 526 1HB GLU 68 2HB GLU 68 -7.356 9.855 9.722 527 2HB GLU 68 3HB GLU 68 -8.044 9.239 8.222 528 1HG GLU 68 2HG GLU 68 -9.594 10.380 10.594 529 2HG GLU 68 3HG GLU 68 -9.223 11.244 9.099 Start of MODEL 13 1 1H MET 1 H1 MET 1 -13.267 5.978 5.143 2 2H MET 1 H2 MET 1 -14.623 6.348 6.026 3 3H MET 1 H3 MET 1 -13.070 6.568 6.631 4 HA MET 1 HA MET 1 -14.206 4.552 7.510 5 1HB MET 1 2HB MET 1 -13.823 3.937 4.554 6 2HB MET 1 3HB MET 1 -13.605 2.632 5.693 7 1HG MET 1 2HG MET 1 -15.872 3.044 6.614 8 2HG MET 1 3HG MET 1 -16.103 4.348 5.433 9 1HE MET 1 1HE MET 1 -18.390 3.193 4.745 10 2HE MET 1 2HE MET 1 -18.507 1.495 4.224 11 3HE MET 1 3HE MET 1 -18.088 1.874 5.909 12 HA PRO 2 HA PRO 2 -10.192 3.751 8.999 13 1HB PRO 2 2HB PRO 2 -9.703 0.995 8.520 14 2HB PRO 2 3HB PRO 2 -10.410 1.773 9.954 15 1HG PRO 2 2HG PRO 2 -11.820 0.575 7.574 16 2HG PRO 2 3HG PRO 2 -12.260 0.435 9.302 17 1HD PRO 2 2HD PRO 2 -13.603 2.132 7.770 18 2HD PRO 2 3HD PRO 2 -13.023 2.719 9.342 19 H LYS 3 H LYS 3 -8.911 4.977 7.788 20 HA LYS 3 HA LYS 3 -7.973 4.141 5.120 21 1HB LYS 3 2HB LYS 3 -8.946 6.423 5.603 22 2HB LYS 3 3HB LYS 3 -7.552 6.716 6.658 23 1HG LYS 3 2HG LYS 3 -6.042 6.275 4.703 24 2HG LYS 3 3HG LYS 3 -7.454 6.216 3.641 25 1HD LYS 3 2HD LYS 3 -6.857 8.614 5.454 26 2HD LYS 3 3HD LYS 3 -6.024 8.407 3.926 27 1HE LYS 3 2HE LYS 3 -7.883 9.937 3.663 28 2HE LYS 3 3HE LYS 3 -8.071 8.499 2.639 29 1HZ LYS 3 1HZ LYS 3 -9.471 8.927 5.217 30 2HZ LYS 3 2HZ LYS 3 -10.104 9.175 3.754 31 3HZ LYS 3 3HZ LYS 3 -9.688 7.659 4.131 32 H HIS 4 H HIS 4 -5.821 3.598 4.807 33 HA HIS 4 HA HIS 4 -3.909 3.921 7.071 34 1HB HIS 4 2HB HIS 4 -3.871 1.372 5.457 35 2HB HIS 4 3HB HIS 4 -3.129 1.779 6.988 36 HD1 HIS 4 1HD HIS 4 -6.271 0.278 5.590 37 HD2 HIS 4 2HD HIS 4 -5.016 2.211 9.102 38 HE1 HIS 4 1HE HIS 4 -8.058 -0.163 7.333 39 H GLU 5 H GLU 5 -2.952 5.619 6.104 40 HA GLU 5 HA GLU 5 -1.968 5.506 3.414 41 1HB GLU 5 2HB GLU 5 -1.425 7.417 5.665 42 2HB GLU 5 3HB GLU 5 -0.820 7.640 4.042 43 1HG GLU 5 2HG GLU 5 -2.805 8.841 3.874 44 2HG GLU 5 3HG GLU 5 -3.559 7.253 3.617 45 H PHE 6 H PHE 6 -0.134 4.854 2.559 46 HA PHE 6 HA PHE 6 2.222 4.329 4.292 47 1HB PHE 6 2HB PHE 6 1.100 2.655 2.040 48 2HB PHE 6 3HB PHE 6 2.737 2.468 2.679 49 HD1 PHE 6 1HD PHE 6 -0.915 2.107 3.554 50 HD2 PHE 6 2HD PHE 6 3.172 1.380 4.759 51 HE1 PHE 6 1HE PHE 6 -1.695 0.555 5.289 52 HE2 PHE 6 2HE PHE 6 2.381 -0.192 6.444 53 HZ PHE 6 HZ PHE 6 -0.079 -0.614 6.745 54 H SER 7 H SER 7 4.096 5.122 3.548 55 HA SER 7 HA SER 7 4.090 6.458 0.884 56 1HB SER 7 2HB SER 7 4.738 7.972 2.649 57 2HB SER 7 3HB SER 7 6.035 6.883 3.166 58 HG SER 7 HG SER 7 5.847 7.750 0.454 59 H VAL 8 H VAL 8 5.331 5.479 -0.649 60 HA VAL 8 HA VAL 8 6.703 2.930 0.042 61 HB VAL 8 HB VAL 8 4.438 3.214 -1.978 62 1HG1 VAL 8 1HG1 VAL 8 4.608 0.692 -1.956 63 2HG1 VAL 8 2HG1 VAL 8 6.001 1.522 -2.664 64 3HG1 VAL 8 3HG1 VAL 8 6.112 0.863 -1.025 65 1HG2 VAL 8 1HG2 VAL 8 3.251 1.624 -0.292 66 2HG2 VAL 8 2HG2 VAL 8 4.435 2.197 0.883 67 3HG2 VAL 8 3HG2 VAL 8 3.336 3.345 0.111 68 H ASP 9 H ASP 9 8.553 2.912 -1.065 69 HA ASP 9 HA ASP 9 9.181 5.138 -2.723 70 1HB ASP 9 2HB ASP 9 10.794 4.225 -1.176 71 2HB ASP 9 3HB ASP 9 10.860 2.698 -2.107 72 H MET 10 H MET 10 7.517 4.763 -4.294 73 HA MET 10 HA MET 10 7.813 2.719 -6.295 74 1HB MET 10 2HB MET 10 6.140 5.220 -6.036 75 2HB MET 10 3HB MET 10 6.071 4.168 -7.470 76 1HG MET 10 2HG MET 10 5.453 2.257 -6.109 77 2HG MET 10 3HG MET 10 5.544 3.225 -4.630 78 1HE MET 10 1HE MET 10 3.206 2.177 -4.071 79 2HE MET 10 2HE MET 10 1.782 2.291 -5.149 80 3HE MET 10 3HE MET 10 3.201 1.344 -5.632 81 H THR 11 H THR 11 10.039 3.012 -6.799 82 HA THR 11 HA THR 11 10.965 5.418 -8.082 83 HB THR 11 HB THR 11 12.958 4.087 -8.656 84 HG1 THR 11 1HG THR 11 11.611 1.935 -7.381 85 1HG2 THR 11 1HG2 THR 11 12.725 5.124 -6.392 86 2HG2 THR 11 2HG2 THR 11 12.018 3.618 -5.786 87 3HG2 THR 11 3HG2 THR 11 13.690 3.636 -6.364 88 H CYS 12 HN CYS 12 9.215 2.602 -9.363 89 HA CYS 12 HA CYS 12 9.066 3.957 -11.939 90 1HB CYS 12 2HB CYS 12 9.917 2.126 -13.259 91 2HB CYS 12 3HB CYS 12 11.152 2.547 -12.076 92 H GLY 13 H GLY 13 7.547 2.768 -13.376 93 1HA GLY 13 2HA GLY 13 5.016 2.205 -12.411 94 2HA GLY 13 3HA GLY 13 5.698 1.534 -13.892 95 H GLY 14 H GLY 14 7.778 -0.025 -12.760 96 1HA GLY 14 2HA GLY 14 6.491 -2.467 -12.293 97 2HA GLY 14 3HA GLY 14 8.197 -2.088 -11.944 98 H CYS 15 HN CYS 15 7.648 0.009 -9.947 99 HA CYS 15 HA CYS 15 7.322 -1.670 -7.611 100 1HB CYS 15 2HB CYS 15 7.201 1.339 -7.955 101 2HB CYS 15 3HB CYS 15 7.242 0.485 -6.409 102 H ALA 16 H ALA 16 5.219 0.669 -9.357 103 HA ALA 16 HA ALA 16 2.981 0.414 -7.589 104 1HB ALA 16 1HB ALA 16 3.025 1.136 -10.539 105 2HB ALA 16 2HB ALA 16 1.642 1.297 -9.439 106 3HB ALA 16 3HB ALA 16 3.111 2.243 -9.145 107 H GLU 17 H GLU 17 3.814 -1.344 -10.620 108 HA GLU 17 HA GLU 17 1.671 -3.113 -10.670 109 1HB GLU 17 2HB GLU 17 3.648 -2.879 -12.338 110 2HB GLU 17 3HB GLU 17 4.528 -3.984 -11.274 111 1HG GLU 17 2HG GLU 17 2.349 -5.481 -11.492 112 2HG GLU 17 3HG GLU 17 2.017 -4.433 -12.879 113 H ALA 18 H ALA 18 4.834 -3.603 -9.009 114 HA ALA 18 HA ALA 18 4.241 -6.098 -7.838 115 1HB ALA 18 1HB ALA 18 6.122 -5.593 -6.323 116 2HB ALA 18 2HB ALA 18 6.512 -5.138 -7.998 117 3HB ALA 18 3HB ALA 18 6.069 -3.887 -6.816 118 H VAL 19 H VAL 19 3.873 -2.799 -6.388 119 HA VAL 19 HA VAL 19 2.934 -3.673 -3.877 120 HB VAL 19 HB VAL 19 2.512 -1.152 -5.543 121 1HG1 VAL 19 1HG1 VAL 19 0.647 -1.272 -4.053 122 2HG1 VAL 19 2HG1 VAL 19 1.689 -1.910 -2.741 123 3HG1 VAL 19 3HG1 VAL 19 1.829 -0.206 -3.296 124 1HG2 VAL 19 1HG2 VAL 19 4.220 -0.190 -4.177 125 2HG2 VAL 19 2HG2 VAL 19 4.156 -1.513 -3.012 126 3HG2 VAL 19 3HG2 VAL 19 4.872 -1.775 -4.606 127 H SER 20 H SER 20 1.218 -2.784 -6.879 128 HA SER 20 HA SER 20 -1.407 -3.105 -5.920 129 1HB SER 20 2HB SER 20 -0.589 -2.095 -8.104 130 2HB SER 20 3HB SER 20 -0.431 -3.709 -8.760 131 HG SER 20 HG SER 20 -2.481 -2.723 -9.228 132 H ARG 21 H ARG 21 0.670 -5.411 -7.644 133 HA ARG 21 HA ARG 21 -0.950 -7.672 -7.556 134 1HB ARG 21 2HB ARG 21 0.752 -8.508 -8.592 135 2HB ARG 21 3HB ARG 21 1.707 -7.084 -8.288 136 1HG ARG 21 2HG ARG 21 2.617 -8.077 -6.208 137 2HG ARG 21 3HG ARG 21 1.693 -9.523 -6.480 138 1HD ARG 21 2HD ARG 21 4.198 -8.504 -7.740 139 2HD ARG 21 3HD ARG 21 3.726 -10.150 -7.408 140 HE ARG 21 HE ARG 21 2.424 -10.232 -9.432 141 1HH1 ARG 21 2HH2 ARG 21 4.664 -7.390 -9.329 142 2HH1 ARG 21 1HH2 ARG 21 4.386 -7.104 -11.046 143 1HH2 ARG 21 2HH1 ARG 21 2.263 -9.681 -11.742 144 2HH2 ARG 21 1HH1 ARG 21 3.190 -8.272 -12.265 145 H VAL 22 H VAL 22 1.170 -6.431 -4.936 146 HA VAL 22 HA VAL 22 0.877 -8.725 -3.239 147 HB VAL 22 HB VAL 22 2.140 -6.010 -3.289 148 1HG1 VAL 22 1HG1 VAL 22 1.289 -7.302 -0.725 149 2HG1 VAL 22 2HG1 VAL 22 2.686 -6.213 -0.843 150 3HG1 VAL 22 3HG1 VAL 22 1.085 -5.622 -1.330 151 1HG2 VAL 22 1HG2 VAL 22 3.173 -8.633 -2.273 152 2HG2 VAL 22 2HG2 VAL 22 3.359 -7.990 -3.928 153 3HG2 VAL 22 3HG2 VAL 22 4.059 -7.104 -2.562 154 H LEU 23 H LEU 23 -0.529 -5.410 -3.243 155 HA LEU 23 HA LEU 23 -2.234 -5.887 -0.983 156 1HB LEU 23 2HB LEU 23 -1.803 -3.759 -2.962 157 2HB LEU 23 3HB LEU 23 -3.478 -3.895 -2.544 158 HG LEU 23 HG LEU 23 -1.207 -3.798 -0.500 159 1HD1 LEU 23 1HD1 LEU 23 -2.955 -1.513 -1.499 160 2HD1 LEU 23 2HD1 LEU 23 -1.661 -1.409 -0.282 161 3HD1 LEU 23 3HD1 LEU 23 -1.255 -1.747 -1.969 162 1HD2 LEU 23 1HD2 LEU 23 -2.999 -3.215 1.060 163 2HD2 LEU 23 2HD2 LEU 23 -4.154 -3.106 -0.294 164 3HD2 LEU 23 3HD2 LEU 23 -3.517 -4.677 0.210 165 H ASN 24 H ASN 24 -2.653 -6.347 -4.508 166 HA ASN 24 HA ASN 24 -5.402 -6.956 -4.461 167 1HB ASN 24 2HB ASN 24 -4.296 -6.519 -6.564 168 2HB ASN 24 3HB ASN 24 -3.186 -7.883 -6.327 169 1HD2 ASN 24 1HD2 ASN 24 -6.739 -7.783 -5.696 170 2HD2 ASN 24 2HD2 ASN 24 -7.039 -9.136 -6.766 171 H LYS 25 H LYS 25 -2.567 -9.017 -3.806 172 HA LYS 25 HA LYS 25 -3.990 -11.443 -3.498 173 1HB LYS 25 2HB LYS 25 -1.320 -10.467 -2.912 174 2HB LYS 25 3HB LYS 25 -1.935 -11.333 -1.515 175 1HG LYS 25 2HG LYS 25 -0.823 -12.915 -2.932 176 2HG LYS 25 3HG LYS 25 -2.563 -13.225 -3.110 177 1HD LYS 25 2HD LYS 25 -2.463 -11.641 -5.177 178 2HD LYS 25 3HD LYS 25 -0.716 -11.704 -5.037 179 1HE LYS 25 2HE LYS 25 -2.634 -14.053 -5.508 180 2HE LYS 25 3HE LYS 25 -1.600 -13.293 -6.723 181 1HZ LYS 25 1HZ LYS 25 -0.638 -15.311 -5.918 182 2HZ LYS 25 2HZ LYS 25 0.317 -14.050 -5.473 183 3HZ LYS 25 3HZ LYS 25 -0.656 -14.785 -4.364 184 H LEU 26 H LEU 26 -3.909 -8.678 -1.285 185 HA LEU 26 HA LEU 26 -5.548 -10.027 0.760 186 1HB LEU 26 2HB LEU 26 -4.069 -8.237 1.380 187 2HB LEU 26 3HB LEU 26 -4.799 -7.120 0.247 188 HG LEU 26 HG LEU 26 -5.453 -6.392 2.248 189 1HD1 LEU 26 1HD1 LEU 26 -7.918 -8.003 1.569 190 2HD1 LEU 26 2HD1 LEU 26 -7.788 -6.395 2.270 191 3HD1 LEU 26 3HD1 LEU 26 -7.317 -6.648 0.569 192 1HD2 LEU 26 1HD2 LEU 26 -6.338 -9.167 3.075 193 2HD2 LEU 26 2HD2 LEU 26 -4.863 -8.315 3.612 194 3HD2 LEU 26 3HD2 LEU 26 -6.463 -7.655 4.019 195 H GLY 27 H GLY 27 -5.987 -7.683 -1.923 196 1HA GLY 27 2HA GLY 27 -7.548 -7.831 -3.624 197 2HA GLY 27 3HA GLY 27 -8.377 -9.136 -2.775 198 H GLY 28 H GLY 28 -9.219 -8.104 -0.466 199 1HA GLY 28 2HA GLY 28 -11.401 -6.348 -1.252 200 2HA GLY 28 3HA GLY 28 -11.036 -6.941 0.374 201 H VAL 29 H VAL 29 -9.292 -4.856 -1.988 202 HA VAL 29 HA VAL 29 -9.040 -2.687 0.055 203 HB VAL 29 HB VAL 29 -6.633 -2.482 -0.846 204 1HG1 VAL 29 1HG1 VAL 29 -6.693 -3.068 1.387 205 2HG1 VAL 29 2HG1 VAL 29 -7.631 -4.531 1.102 206 3HG1 VAL 29 3HG1 VAL 29 -5.917 -4.519 0.702 207 1HG2 VAL 29 1HG2 VAL 29 -5.549 -4.379 -1.730 208 2HG2 VAL 29 2HG2 VAL 29 -6.931 -5.443 -1.412 209 3HG2 VAL 29 3HG2 VAL 29 -7.023 -4.238 -2.705 210 H LYS 30 H LYS 30 -8.900 -0.596 -0.795 211 HA LYS 30 HA LYS 30 -8.298 -0.272 -3.606 212 1HB LYS 30 2HB LYS 30 -10.832 0.775 -2.329 213 2HB LYS 30 3HB LYS 30 -9.994 1.762 -3.518 214 1HG LYS 30 2HG LYS 30 -11.060 -1.057 -3.976 215 2HG LYS 30 3HG LYS 30 -11.777 0.449 -4.503 216 1HD LYS 30 2HD LYS 30 -10.778 0.089 -6.462 217 2HD LYS 30 3HD LYS 30 -9.388 0.843 -5.707 218 1HE LYS 30 2HE LYS 30 -9.002 -1.241 -7.100 219 2HE LYS 30 3HE LYS 30 -8.227 -1.244 -5.526 220 1HZ LYS 30 1HZ LYS 30 -9.341 -3.325 -6.112 221 2HZ LYS 30 2HZ LYS 30 -9.819 -2.684 -4.689 222 3HZ LYS 30 3HZ LYS 30 -10.808 -2.575 -6.019 223 H TYR 31 H TYR 31 -7.140 1.603 -3.983 224 HA TYR 31 HA TYR 31 -6.284 3.169 -1.725 225 1HB TYR 31 2HB TYR 31 -3.838 2.393 -2.262 226 2HB TYR 31 3HB TYR 31 -4.826 1.404 -1.226 227 HD1 TYR 31 HD1 TYR 31 -6.091 -0.631 -2.186 228 HD2 TYR 31 HD2 TYR 31 -2.541 1.145 -3.809 229 HE1 TYR 31 HE1 TYR 31 -5.799 -2.593 -3.643 230 HE2 TYR 31 HE2 TYR 31 -2.067 -0.966 -5.016 231 HH TYR 31 HH TYR 31 -4.384 -3.704 -5.092 232 H ASP 32 H ASP 32 -5.146 4.960 -2.304 233 HA ASP 32 HA ASP 32 -5.138 5.675 -5.187 234 1HB ASP 32 2HB ASP 32 -5.850 7.445 -3.606 235 2HB ASP 32 3HB ASP 32 -4.331 7.259 -2.709 236 H ILE 33 H ILE 33 -3.075 6.097 -6.172 237 HA ILE 33 HA ILE 33 -0.702 4.756 -4.997 238 HB ILE 33 HB ILE 33 -2.157 4.106 -7.591 239 1HG1 ILE 33 2HG1 ILE 33 -0.996 2.189 -5.524 240 2HG1 ILE 33 3HG1 ILE 33 -2.645 2.847 -5.406 241 1HG2 ILE 33 1HG2 ILE 33 0.730 3.596 -6.832 242 2HG2 ILE 33 2HG2 ILE 33 -0.104 2.698 -8.126 243 3HG2 ILE 33 3HG2 ILE 33 0.098 4.444 -8.257 244 1HD1 ILE 33 1HD1 ILE 33 -2.944 0.766 -6.521 245 2HD1 ILE 33 2HD1 ILE 33 -3.157 2.015 -7.724 246 3HD1 ILE 33 3HD1 ILE 33 -1.638 1.084 -7.667 247 H ASP 34 H ASP 34 0.712 6.457 -5.045 248 HA ASP 34 HA ASP 34 0.800 8.124 -7.544 249 1HB ASP 34 2HB ASP 34 -0.055 9.428 -5.623 250 2HB ASP 34 3HB ASP 34 1.439 9.053 -4.742 251 H LEU 35 H LEU 35 2.554 7.603 -8.641 252 HA LEU 35 HA LEU 35 4.824 6.295 -7.394 253 1HB LEU 35 2HB LEU 35 4.306 7.179 -10.252 254 2HB LEU 35 3HB LEU 35 5.835 6.564 -9.633 255 HG LEU 35 HG LEU 35 4.047 4.649 -8.683 256 1HD1 LEU 35 1HD1 LEU 35 2.554 4.055 -10.553 257 2HD1 LEU 35 2HD1 LEU 35 2.150 5.651 -9.897 258 3HD1 LEU 35 3HD1 LEU 35 3.047 5.514 -11.427 259 1HD2 LEU 35 1HD2 LEU 35 4.926 3.179 -10.388 260 2HD2 LEU 35 2HD2 LEU 35 5.396 4.565 -11.403 261 3HD2 LEU 35 3HD2 LEU 35 6.211 4.264 -9.854 262 HA PRO 36 HA PRO 36 7.262 10.233 -8.575 263 1HB PRO 36 2HB PRO 36 5.874 12.654 -8.747 264 2HB PRO 36 3HB PRO 36 6.393 11.635 -10.120 265 1HG PRO 36 2HG PRO 36 3.695 11.676 -8.760 266 2HG PRO 36 3HG PRO 36 4.040 11.699 -10.513 267 1HD PRO 36 2HD PRO 36 3.368 9.413 -9.326 268 2HD PRO 36 3HD PRO 36 4.726 9.413 -10.486 269 H ASN 37 H ASN 37 4.422 10.411 -6.487 270 HA ASN 37 HA ASN 37 6.039 11.814 -4.372 271 1HB ASN 37 2HB ASN 37 3.045 11.381 -4.461 272 2HB ASN 37 3HB ASN 37 3.952 12.224 -3.224 273 1HD2 ASN 37 1HD2 ASN 37 2.243 12.731 -6.122 274 2HD2 ASN 37 2HD2 ASN 37 2.876 14.342 -6.459 275 H LYS 38 H LYS 38 5.611 8.681 -5.267 276 HA LYS 38 HA LYS 38 5.909 6.714 -4.209 277 1HB LYS 38 2HB LYS 38 7.418 8.589 -2.308 278 2HB LYS 38 3HB LYS 38 7.507 6.859 -2.227 279 1HG LYS 38 2HG LYS 38 9.417 7.368 -3.402 280 2HG LYS 38 3HG LYS 38 8.296 6.800 -4.633 281 1HD LYS 38 2HD LYS 38 9.578 8.646 -5.445 282 2HD LYS 38 3HD LYS 38 7.884 9.106 -5.358 283 1HE LYS 38 2HE LYS 38 8.294 10.366 -3.261 284 2HE LYS 38 3HE LYS 38 9.988 9.835 -3.262 285 1HZ LYS 38 1HZ LYS 38 9.671 12.065 -4.154 286 2HZ LYS 38 2HZ LYS 38 10.275 11.058 -5.315 287 3HZ LYS 38 3HZ LYS 38 8.687 11.478 -5.336 288 H LYS 39 H LYS 39 3.388 6.880 -3.804 289 HA LYS 39 HA LYS 39 2.946 6.465 -0.927 290 1HB LYS 39 2HB LYS 39 1.913 8.775 -2.575 291 2HB LYS 39 3HB LYS 39 0.804 8.048 -1.417 292 1HG LYS 39 2HG LYS 39 2.340 8.445 0.410 293 2HG LYS 39 3HG LYS 39 3.549 9.139 -0.695 294 1HD LYS 39 2HD LYS 39 2.120 10.941 -1.348 295 2HD LYS 39 3HD LYS 39 0.714 10.266 -0.527 296 1HE LYS 39 2HE LYS 39 3.261 11.211 0.885 297 2HE LYS 39 3HE LYS 39 1.812 12.202 0.666 298 1HZ LYS 39 1HZ LYS 39 1.906 9.666 2.157 299 2HZ LYS 39 2HZ LYS 39 1.818 11.173 2.811 300 3HZ LYS 39 3HZ LYS 39 0.564 10.588 1.921 301 H VAL 40 H VAL 40 1.194 5.437 -0.318 302 HA VAL 40 HA VAL 40 -0.665 4.225 -2.257 303 HB VAL 40 HB VAL 40 0.973 2.778 -0.135 304 1HG1 VAL 40 1HG1 VAL 40 -0.217 0.738 -1.040 305 2HG1 VAL 40 2HG1 VAL 40 -1.241 1.843 -0.118 306 3HG1 VAL 40 3HG1 VAL 40 -1.325 1.833 -1.894 307 1HG2 VAL 40 1HG2 VAL 40 1.808 1.497 -1.996 308 2HG2 VAL 40 2HG2 VAL 40 0.844 2.499 -3.128 309 3HG2 VAL 40 3HG2 VAL 40 2.194 3.206 -2.186 310 H CYS 41 H CYS 41 -2.495 5.410 -1.398 311 HA CYS 41 HA CYS 41 -2.774 5.398 1.594 312 1HB CYS 41 2HB CYS 41 -3.944 7.257 -0.420 313 2HB CYS 41 3HB CYS 41 -4.365 7.230 1.275 314 HG CYS 41 HG CYS 41 -2.011 7.649 2.215 315 H ILE 42 H ILE 42 -3.889 3.681 2.232 316 HA ILE 42 HA ILE 42 -5.779 2.593 0.285 317 HB ILE 42 HB ILE 42 -4.886 1.241 2.849 318 1HG1 ILE 42 2HG1 ILE 42 -3.292 1.081 0.272 319 2HG1 ILE 42 3HG1 ILE 42 -2.817 1.971 1.729 320 1HG2 ILE 42 1HG2 ILE 42 -5.944 0.267 0.153 321 2HG2 ILE 42 2HG2 ILE 42 -5.234 -0.833 1.291 322 3HG2 ILE 42 3HG2 ILE 42 -6.676 0.084 1.741 323 1HD1 ILE 42 1HD1 ILE 42 -2.696 -0.066 3.039 324 2HD1 ILE 42 2HD1 ILE 42 -3.014 -1.011 1.554 325 3HD1 ILE 42 3HD1 ILE 42 -1.582 -0.016 1.696 326 H GLU 43 H GLU 43 -7.968 2.006 0.857 327 HA GLU 43 HA GLU 43 -8.803 2.528 3.617 328 1HB GLU 43 2HB GLU 43 -9.067 4.698 2.286 329 2HB GLU 43 3HB GLU 43 -10.316 3.891 1.342 330 1HG GLU 43 2HG GLU 43 -11.698 3.556 3.309 331 2HG GLU 43 3HG GLU 43 -10.380 4.037 4.390 332 H SER 44 H SER 44 -9.905 0.705 4.196 333 HA SER 44 HA SER 44 -12.096 -0.159 2.630 334 1HB SER 44 2HB SER 44 -10.237 -1.344 1.385 335 2HB SER 44 3HB SER 44 -9.903 -2.263 2.865 336 HG SER 44 HG SER 44 -11.355 -3.421 1.617 337 H GLU 45 H GLU 45 -12.902 -2.319 3.606 338 HA GLU 45 HA GLU 45 -13.062 -2.008 6.547 339 1HB GLU 45 2HB GLU 45 -14.844 -3.794 6.281 340 2HB GLU 45 3HB GLU 45 -15.180 -2.207 5.592 341 1HG GLU 45 2HG GLU 45 -14.721 -2.993 3.331 342 2HG GLU 45 3HG GLU 45 -14.167 -4.562 3.959 343 H HIS 46 H HIS 46 -10.573 -2.575 6.037 344 HA HIS 46 HA HIS 46 -10.283 -5.302 7.178 345 1HB HIS 46 2HB HIS 46 -8.670 -4.118 4.890 346 2HB HIS 46 3HB HIS 46 -7.971 -5.298 6.003 347 HD1 HIS 46 1HD HIS 46 -8.474 -7.799 5.548 348 HD2 HIS 46 2HD HIS 46 -10.789 -5.072 3.341 349 HE1 HIS 46 1HE HIS 46 -9.629 -9.144 3.712 350 H SER 47 H SER 47 -8.341 -5.350 8.605 351 HA SER 47 HA SER 47 -8.147 -2.818 10.045 352 1HB SER 47 2HB SER 47 -8.099 -5.004 11.248 353 2HB SER 47 3HB SER 47 -6.598 -5.405 10.403 354 HG SER 47 HG SER 47 -7.044 -3.553 12.446 355 H MET 48 H MET 48 -6.151 -1.733 10.456 356 HA MET 48 HA MET 48 -4.287 -1.429 8.333 357 1HB MET 48 2HB MET 48 -3.183 0.051 9.587 358 2HB MET 48 3HB MET 48 -4.741 0.070 10.429 359 1HG MET 48 2HG MET 48 -3.744 -1.714 11.944 360 2HG MET 48 3HG MET 48 -2.173 -1.321 11.204 361 1HE MET 48 1HE MET 48 -5.091 -0.078 13.497 362 2HE MET 48 2HE MET 48 -4.535 1.546 13.959 363 3HE MET 48 3HE MET 48 -5.094 1.247 12.303 364 H ASP 49 H ASP 49 -4.608 -3.800 10.984 365 HA ASP 49 HA ASP 49 -1.992 -4.847 10.970 366 1HB ASP 49 2HB ASP 49 -2.850 -6.257 12.457 367 2HB ASP 49 3HB ASP 49 -4.429 -5.521 12.225 368 H THR 50 H THR 50 -4.806 -6.023 9.132 369 HA THR 50 HA THR 50 -3.459 -7.919 7.668 370 HB THR 50 HB THR 50 -5.825 -6.731 6.322 371 HG1 THR 50 1HG THR 50 -5.958 -7.395 9.094 372 1HG2 THR 50 1HG2 THR 50 -6.699 -9.009 6.602 373 2HG2 THR 50 2HG2 THR 50 -5.029 -9.078 5.997 374 3HG2 THR 50 3HG2 THR 50 -5.372 -9.410 7.709 375 H LEU 51 H LEU 51 -4.138 -4.508 6.916 376 HA LEU 51 HA LEU 51 -3.135 -4.486 4.234 377 1HB LEU 51 2HB LEU 51 -3.373 -2.330 6.381 378 2HB LEU 51 3HB LEU 51 -2.839 -2.043 4.740 379 HG LEU 51 HG LEU 51 -5.534 -2.176 5.808 380 1HD1 LEU 51 1HD1 LEU 51 -4.409 -1.729 3.044 381 2HD1 LEU 51 2HD1 LEU 51 -6.007 -1.161 3.612 382 3HD1 LEU 51 3HD1 LEU 51 -4.516 -0.480 4.299 383 1HD2 LEU 51 1HD2 LEU 51 -5.133 -4.049 3.420 384 2HD2 LEU 51 2HD2 LEU 51 -5.751 -4.520 5.026 385 3HD2 LEU 51 3HD2 LEU 51 -6.665 -3.413 4.010 386 H LEU 52 H LEU 52 -1.576 -3.289 7.254 387 HA LEU 52 HA LEU 52 0.950 -2.793 6.418 388 1HB LEU 52 2HB LEU 52 -0.197 -2.460 8.647 389 2HB LEU 52 3HB LEU 52 0.003 -4.191 8.945 390 HG LEU 52 HG LEU 52 1.482 -2.706 10.223 391 1HD1 LEU 52 1HD1 LEU 52 3.609 -3.817 9.846 392 2HD1 LEU 52 2HD1 LEU 52 2.265 -4.981 9.744 393 3HD1 LEU 52 3HD1 LEU 52 3.059 -4.404 8.267 394 1HD2 LEU 52 1HD2 LEU 52 1.569 -0.984 8.436 395 2HD2 LEU 52 2HD2 LEU 52 3.156 -1.334 9.169 396 3HD2 LEU 52 3HD2 LEU 52 2.751 -2.013 7.573 397 H ALA 53 H ALA 53 -0.198 -5.934 7.787 398 HA ALA 53 HA ALA 53 2.143 -7.419 7.410 399 1HB ALA 53 1HB ALA 53 -0.762 -8.351 7.282 400 2HB ALA 53 2HB ALA 53 0.656 -9.391 7.539 401 3HB ALA 53 3HB ALA 53 0.218 -8.172 8.753 402 H THR 54 H THR 54 -0.618 -6.890 5.105 403 HA THR 54 HA THR 54 0.585 -8.501 3.089 404 HB THR 54 HB THR 54 -1.615 -6.415 3.042 405 HG1 THR 54 1HG THR 54 -2.261 -8.147 4.102 406 1HG2 THR 54 1HG2 THR 54 -2.214 -7.291 0.859 407 2HG2 THR 54 2HG2 THR 54 -0.616 -6.566 0.805 408 3HG2 THR 54 3HG2 THR 54 -0.786 -8.337 0.831 409 H LEU 55 H LEU 55 0.822 -4.993 3.796 410 HA LEU 55 HA LEU 55 2.047 -4.545 1.195 411 1HB LEU 55 2HB LEU 55 1.106 -2.972 3.472 412 2HB LEU 55 3HB LEU 55 2.598 -2.316 2.788 413 HG LEU 55 HG LEU 55 -0.150 -2.545 1.603 414 1HD1 LEU 55 1HD1 LEU 55 1.970 -0.374 2.021 415 2HD1 LEU 55 2HD1 LEU 55 0.456 -0.096 1.183 416 3HD1 LEU 55 3HD1 LEU 55 0.439 -0.611 2.891 417 1HD2 LEU 55 1HD2 LEU 55 1.123 -3.309 -0.298 418 2HD2 LEU 55 2HD2 LEU 55 0.767 -1.603 -0.504 419 3HD2 LEU 55 3HD2 LEU 55 2.402 -2.094 0.004 420 H LYS 56 H LYS 56 3.236 -5.281 4.458 421 HA LYS 56 HA LYS 56 6.010 -5.053 4.013 422 1HB LYS 56 2HB LYS 56 4.194 -6.638 5.756 423 2HB LYS 56 3HB LYS 56 5.720 -7.423 5.400 424 1HG LYS 56 2HG LYS 56 5.793 -6.202 7.440 425 2HG LYS 56 3HG LYS 56 7.012 -5.603 6.313 426 1HD LYS 56 2HD LYS 56 4.415 -4.136 6.264 427 2HD LYS 56 3HD LYS 56 5.236 -4.101 7.836 428 1HE LYS 56 2HE LYS 56 7.220 -3.103 6.936 429 2HE LYS 56 3HE LYS 56 6.659 -3.331 5.282 430 1HZ LYS 56 1HZ LYS 56 5.464 -1.523 7.287 431 2HZ LYS 56 2HZ LYS 56 6.282 -1.056 5.941 432 3HZ LYS 56 3HZ LYS 56 4.840 -1.791 5.787 433 H LYS 57 H LYS 57 3.739 -7.333 2.461 434 HA LYS 57 HA LYS 57 5.726 -9.253 1.720 435 1HB LYS 57 2HB LYS 57 3.142 -8.601 0.284 436 2HB LYS 57 3HB LYS 57 4.106 -10.053 0.085 437 1HG LYS 57 2HG LYS 57 3.603 -10.879 2.264 438 2HG LYS 57 3HG LYS 57 2.959 -9.326 2.802 439 1HD LYS 57 2HD LYS 57 1.132 -9.504 1.128 440 2HD LYS 57 3HD LYS 57 1.691 -11.115 0.683 441 1HE LYS 57 2HE LYS 57 1.009 -12.094 2.688 442 2HE LYS 57 3HE LYS 57 1.135 -10.610 3.622 443 1HZ LYS 57 1HZ LYS 57 -0.942 -9.837 2.713 444 2HZ LYS 57 2HZ LYS 57 -0.997 -11.087 1.637 445 3HZ LYS 57 3HZ LYS 57 -1.138 -11.359 3.246 446 H THR 58 H THR 58 5.162 -6.001 0.516 447 HA THR 58 HA THR 58 6.487 -6.313 -2.080 448 HB THR 58 HB THR 58 6.786 -3.960 -2.002 449 HG1 THR 58 1HG THR 58 5.860 -3.912 0.671 450 1HG2 THR 58 1HG2 THR 58 4.551 -3.116 -1.593 451 2HG2 THR 58 2HG2 THR 58 4.504 -4.669 -2.461 452 3HG2 THR 58 3HG2 THR 58 4.113 -4.581 -0.730 453 H GLY 59 H GLY 59 7.500 -6.000 1.278 454 1HA GLY 59 2HA GLY 59 9.416 -5.929 2.330 455 2HA GLY 59 3HA GLY 59 10.102 -6.951 1.045 456 H LYS 60 H LYS 60 8.853 -3.628 0.504 457 HA LYS 60 HA LYS 60 11.647 -2.620 0.213 458 1HB LYS 60 2HB LYS 60 9.368 -1.388 -1.300 459 2HB LYS 60 3HB LYS 60 11.095 -1.529 -1.675 460 1HG LYS 60 2HG LYS 60 10.575 -4.105 -1.888 461 2HG LYS 60 3HG LYS 60 8.897 -3.541 -1.975 462 1HD LYS 60 2HD LYS 60 11.179 -3.156 -3.892 463 2HD LYS 60 3HD LYS 60 9.611 -3.966 -4.136 464 1HE LYS 60 2HE LYS 60 8.457 -1.767 -4.111 465 2HE LYS 60 3HE LYS 60 9.985 -0.938 -3.760 466 1HZ LYS 60 1HZ LYS 60 10.836 -1.710 -5.864 467 2HZ LYS 60 2HZ LYS 60 9.407 -2.435 -6.229 468 3HZ LYS 60 3HZ LYS 60 9.508 -0.806 -6.105 469 H THR 61 H THR 61 10.942 0.079 -0.044 470 HA THR 61 HA THR 61 10.796 0.822 2.611 471 HB THR 61 HB THR 61 10.351 2.742 0.411 472 HG1 THR 61 1HG THR 61 12.398 2.390 -0.422 473 1HG2 THR 61 1HG2 THR 61 12.461 2.595 2.607 474 2HG2 THR 61 2HG2 THR 61 12.198 3.958 1.499 475 3HG2 THR 61 3HG2 THR 61 10.953 3.537 2.690 476 H VAL 62 H VAL 62 8.334 -0.500 2.414 477 HA VAL 62 HA VAL 62 6.175 1.447 2.047 478 HB VAL 62 HB VAL 62 4.864 -0.481 3.117 479 1HG1 VAL 62 1HG1 VAL 62 4.777 -1.772 1.010 480 2HG1 VAL 62 2HG1 VAL 62 4.712 -0.034 0.731 481 3HG1 VAL 62 3HG1 VAL 62 6.227 -0.922 0.438 482 1HG2 VAL 62 1HG2 VAL 62 7.155 -2.233 2.232 483 2HG2 VAL 62 2HG2 VAL 62 7.071 -1.644 3.896 484 3HG2 VAL 62 3HG2 VAL 62 5.738 -2.620 3.221 485 H SER 63 H SER 63 6.762 3.079 3.434 486 HA SER 63 HA SER 63 7.070 2.564 6.344 487 1HB SER 63 2HB SER 63 8.560 4.164 5.173 488 2HB SER 63 3HB SER 63 7.148 5.154 4.746 489 HG SER 63 HG SER 63 8.174 4.582 7.339 490 H TYR 64 H TYR 64 5.361 2.783 7.730 491 HA TYR 64 HA TYR 64 2.741 3.345 6.583 492 1HB TYR 64 2HB TYR 64 3.133 1.399 8.072 493 2HB TYR 64 3HB TYR 64 3.574 2.498 9.376 494 HD1 TYR 64 HD1 TYR 64 1.917 2.028 11.015 495 HD2 TYR 64 HD2 TYR 64 0.675 2.761 6.945 496 HE1 TYR 64 HE1 TYR 64 -0.444 2.135 11.736 497 HE2 TYR 64 HE2 TYR 64 -1.611 3.160 7.728 498 HH TYR 64 HH TYR 64 -2.635 2.414 11.075 499 H LEU 65 H LEU 65 1.455 5.045 7.006 500 HA LEU 65 HA LEU 65 2.382 7.317 8.672 501 1HB LEU 65 2HB LEU 65 0.665 7.292 6.215 502 2HB LEU 65 3HB LEU 65 0.770 8.640 7.344 503 HG LEU 65 HG LEU 65 3.410 8.288 7.015 504 1HD1 LEU 65 1HD1 LEU 65 3.966 7.700 4.743 505 2HD1 LEU 65 2HD1 LEU 65 3.144 6.336 5.494 506 3HD1 LEU 65 3HD1 LEU 65 2.259 7.368 4.349 507 1HD2 LEU 65 1HD2 LEU 65 2.224 10.336 6.623 508 2HD2 LEU 65 2HD2 LEU 65 3.321 10.006 5.263 509 3HD2 LEU 65 3HD2 LEU 65 1.567 9.722 5.083 510 H GLY 66 H GLY 66 -0.002 8.531 9.198 511 1HA GLY 66 2HA GLY 66 -0.932 7.012 11.418 512 2HA GLY 66 3HA GLY 66 -1.569 8.547 10.819 513 H LEU 67 H LEU 67 -3.728 8.051 11.171 514 HA LEU 67 HA LEU 67 -5.044 5.916 9.612 515 1HB LEU 67 2HB LEU 67 -4.447 4.870 11.739 516 2HB LEU 67 3HB LEU 67 -4.946 6.311 12.629 517 HG LEU 67 HG LEU 67 -7.333 5.859 12.014 518 1HD1 LEU 67 1HD1 LEU 67 -6.182 3.236 10.951 519 2HD1 LEU 67 2HD1 LEU 67 -7.905 3.561 11.242 520 3HD1 LEU 67 3HD1 LEU 67 -7.042 4.470 10.007 521 1HD2 LEU 67 1HD2 LEU 67 -7.585 4.010 13.608 522 2HD2 LEU 67 2HD2 LEU 67 -5.851 3.643 13.473 523 3HD2 LEU 67 3HD2 LEU 67 -6.386 5.186 14.173 524 H GLU 68 H GLU 68 -7.307 6.435 9.285 525 HA GLU 68 HA GLU 68 -8.518 8.671 10.668 526 1HB GLU 68 2HB GLU 68 -7.568 9.590 8.438 527 2HB GLU 68 3HB GLU 68 -8.623 8.415 7.634 528 1HG GLU 68 2HG GLU 68 -10.589 9.499 8.810 529 2HG GLU 68 3HG GLU 68 -9.477 10.752 9.387 Start of MODEL 14 1 1H MET 1 H1 MET 1 -12.067 6.465 7.417 2 2H MET 1 H2 MET 1 -13.250 6.665 6.349 3 3H MET 1 H3 MET 1 -13.584 6.892 7.957 4 HA MET 1 HA MET 1 -13.544 4.649 8.411 5 1HB MET 1 2HB MET 1 -14.803 3.487 6.524 6 2HB MET 1 3HB MET 1 -15.552 4.968 7.124 7 1HG MET 1 2HG MET 1 -13.797 4.889 4.637 8 2HG MET 1 3HG MET 1 -15.535 4.653 4.599 9 1HE MET 1 1HE MET 1 -15.236 6.582 2.680 10 2HE MET 1 2HE MET 1 -14.839 8.273 3.076 11 3HE MET 1 3HE MET 1 -13.573 7.030 3.125 12 HA PRO 2 HA PRO 2 -9.977 3.178 8.473 13 1HB PRO 2 2HB PRO 2 -9.869 0.501 7.383 14 2HB PRO 2 3HB PRO 2 -9.955 1.070 9.058 15 1HG PRO 2 2HG PRO 2 -12.192 0.333 7.203 16 2HG PRO 2 3HG PRO 2 -12.122 0.130 8.976 17 1HD PRO 2 2HD PRO 2 -13.617 2.077 7.898 18 2HD PRO 2 3HD PRO 2 -12.598 2.470 9.314 19 H LYS 3 H LYS 3 -9.250 4.780 7.234 20 HA LYS 3 HA LYS 3 -8.075 4.106 4.594 21 1HB LYS 3 2HB LYS 3 -9.720 6.081 4.959 22 2HB LYS 3 3HB LYS 3 -8.357 6.823 5.820 23 1HG LYS 3 2HG LYS 3 -7.005 6.393 3.649 24 2HG LYS 3 3HG LYS 3 -8.570 6.049 2.904 25 1HD LYS 3 2HD LYS 3 -7.640 8.680 4.176 26 2HD LYS 3 3HD LYS 3 -7.935 8.332 2.475 27 1HE LYS 3 2HE LYS 3 -9.860 9.449 2.970 28 2HE LYS 3 3HE LYS 3 -10.411 7.795 3.252 29 1HZ LYS 3 1HZ LYS 3 -10.143 8.207 5.649 30 2HZ LYS 3 2HZ LYS 3 -9.445 9.686 5.322 31 3HZ LYS 3 3HZ LYS 3 -11.020 9.406 4.982 32 H HIS 4 H HIS 4 -5.872 4.251 4.351 33 HA HIS 4 HA HIS 4 -4.154 4.870 6.720 34 1HB HIS 4 2HB HIS 4 -4.141 2.321 5.052 35 2HB HIS 4 3HB HIS 4 -3.127 2.694 6.446 36 HD1 HIS 4 1HD HIS 4 -4.587 2.721 8.877 37 HD2 HIS 4 2HD HIS 4 -6.508 1.275 5.419 38 HE1 HIS 4 1HE HIS 4 -6.685 1.476 9.653 39 H GLU 5 H GLU 5 -2.486 6.201 5.941 40 HA GLU 5 HA GLU 5 -1.814 6.034 3.050 41 1HB GLU 5 2HB GLU 5 -2.022 8.289 3.907 42 2HB GLU 5 3HB GLU 5 -0.897 7.955 5.211 43 1HG GLU 5 2HG GLU 5 0.912 7.588 3.536 44 2HG GLU 5 3HG GLU 5 -0.264 7.784 2.225 45 H PHE 6 H PHE 6 0.168 5.227 2.420 46 HA PHE 6 HA PHE 6 2.057 4.361 4.510 47 1HB PHE 6 2HB PHE 6 1.115 2.680 2.163 48 2HB PHE 6 3HB PHE 6 2.629 2.398 3.008 49 HD1 PHE 6 1HD PHE 6 2.698 0.996 4.960 50 HD2 PHE 6 2HD PHE 6 -1.092 2.616 3.652 51 HE1 PHE 6 1HE PHE 6 1.522 -0.778 6.148 52 HE2 PHE 6 2HE PHE 6 -2.253 0.941 5.045 53 HZ PHE 6 HZ PHE 6 -0.971 -0.841 6.187 54 H SER 7 H SER 7 4.053 5.002 4.047 55 HA SER 7 HA SER 7 4.642 6.387 1.464 56 1HB SER 7 2HB SER 7 5.437 7.479 3.487 57 2HB SER 7 3HB SER 7 6.307 6.013 3.995 58 HG SER 7 HG SER 7 7.615 6.255 2.135 59 H VAL 8 H VAL 8 5.798 5.287 -0.097 60 HA VAL 8 HA VAL 8 6.893 2.583 0.544 61 HB VAL 8 HB VAL 8 4.964 3.247 -1.728 62 1HG1 VAL 8 1HG1 VAL 8 5.182 0.820 -2.273 63 2HG1 VAL 8 2HG1 VAL 8 6.723 1.656 -2.461 64 3HG1 VAL 8 3HG1 VAL 8 6.433 0.653 -1.026 65 1HG2 VAL 8 1HG2 VAL 8 3.723 2.875 0.363 66 2HG2 VAL 8 2HG2 VAL 8 3.583 1.413 -0.630 67 3HG2 VAL 8 3HG2 VAL 8 4.713 1.441 0.722 68 H ASP 9 H ASP 9 8.898 2.420 -0.315 69 HA ASP 9 HA ASP 9 9.983 4.579 -1.927 70 1HB ASP 9 2HB ASP 9 11.053 1.966 -0.848 71 2HB ASP 9 3HB ASP 9 11.980 2.963 -1.963 72 H MET 10 H MET 10 8.211 4.313 -3.533 73 HA MET 10 HA MET 10 9.040 2.454 -5.721 74 1HB MET 10 2HB MET 10 6.706 2.542 -6.454 75 2HB MET 10 3HB MET 10 6.903 1.798 -4.850 76 1HG MET 10 2HG MET 10 5.978 3.799 -3.820 77 2HG MET 10 3HG MET 10 5.852 4.583 -5.400 78 1HE MET 10 1HE MET 10 3.299 5.030 -5.034 79 2HE MET 10 2HE MET 10 2.139 3.803 -4.490 80 3HE MET 10 3HE MET 10 3.472 4.296 -3.417 81 H THR 11 H THR 11 9.366 3.306 -7.724 82 HA THR 11 HA THR 11 8.521 6.026 -8.347 83 HB THR 11 HB THR 11 10.529 6.358 -6.923 84 HG1 THR 11 1HG THR 11 11.517 7.790 -8.356 85 1HG2 THR 11 1HG2 THR 11 12.754 5.834 -7.747 86 2HG2 THR 11 2HG2 THR 11 11.824 4.335 -7.590 87 3HG2 THR 11 3HG2 THR 11 12.091 5.056 -9.193 88 H CYS 12 HN CYS 12 8.117 3.233 -9.453 89 HA CYS 12 HA CYS 12 8.159 4.277 -12.095 90 1HB CYS 12 2HB CYS 12 9.309 2.561 -13.267 91 2HB CYS 12 3HB CYS 12 10.419 3.160 -12.045 92 H GLY 13 H GLY 13 6.806 2.976 -13.490 93 1HA GLY 13 2HA GLY 13 4.368 2.088 -12.493 94 2HA GLY 13 3HA GLY 13 5.078 1.588 -14.035 95 H GLY 14 H GLY 14 7.404 0.271 -12.924 96 1HA GLY 14 2HA GLY 14 6.488 -2.355 -12.572 97 2HA GLY 14 3HA GLY 14 8.098 -1.716 -12.139 98 H CYS 15 HN CYS 15 7.574 0.054 -10.107 99 HA CYS 15 HA CYS 15 7.228 -1.762 -7.882 100 1HB CYS 15 2HB CYS 15 7.343 1.251 -8.049 101 2HB CYS 15 3HB CYS 15 7.236 0.310 -6.545 102 H ALA 16 H ALA 16 5.179 0.779 -9.401 103 HA ALA 16 HA ALA 16 2.986 0.588 -7.602 104 1HB ALA 16 1HB ALA 16 2.989 1.179 -10.590 105 2HB ALA 16 2HB ALA 16 1.599 1.380 -9.512 106 3HB ALA 16 3HB ALA 16 3.060 2.350 -9.252 107 H GLU 17 H GLU 17 3.633 -1.274 -10.617 108 HA GLU 17 HA GLU 17 1.416 -2.967 -10.510 109 1HB GLU 17 2HB GLU 17 3.248 -2.735 -12.361 110 2HB GLU 17 3HB GLU 17 4.153 -3.927 -11.422 111 1HG GLU 17 2HG GLU 17 1.852 -5.278 -11.498 112 2HG GLU 17 3HG GLU 17 1.486 -4.165 -12.817 113 H ALA 18 H ALA 18 4.700 -3.438 -9.080 114 HA ALA 18 HA ALA 18 4.267 -5.968 -7.901 115 1HB ALA 18 1HB ALA 18 6.479 -4.851 -8.099 116 2HB ALA 18 2HB ALA 18 5.984 -3.692 -6.843 117 3HB ALA 18 3HB ALA 18 6.141 -5.412 -6.445 118 H VAL 19 H VAL 19 3.762 -2.701 -6.420 119 HA VAL 19 HA VAL 19 2.848 -3.661 -3.933 120 HB VAL 19 HB VAL 19 2.286 -1.112 -5.522 121 1HG1 VAL 19 1HG1 VAL 19 1.616 -2.012 -2.722 122 2HG1 VAL 19 2HG1 VAL 19 1.642 -0.281 -3.210 123 3HG1 VAL 19 3HG1 VAL 19 0.493 -1.393 -3.967 124 1HG2 VAL 19 1HG2 VAL 19 4.705 -1.571 -4.718 125 2HG2 VAL 19 2HG2 VAL 19 3.939 -0.088 -4.129 126 3HG2 VAL 19 3HG2 VAL 19 4.054 -1.504 -3.073 127 H SER 20 H SER 20 1.091 -2.786 -6.928 128 HA SER 20 HA SER 20 -1.507 -3.197 -5.940 129 1HB SER 20 2HB SER 20 -0.818 -2.138 -8.146 130 2HB SER 20 3HB SER 20 -0.530 -3.732 -8.808 131 HG SER 20 HG SER 20 -3.024 -3.001 -7.666 132 H ARG 21 H ARG 21 0.542 -5.406 -7.729 133 HA ARG 21 HA ARG 21 -0.974 -7.711 -7.764 134 1HB ARG 21 2HB ARG 21 0.820 -8.433 -8.796 135 2HB ARG 21 3HB ARG 21 1.679 -6.993 -8.343 136 1HG ARG 21 2HG ARG 21 2.542 -8.058 -6.309 137 2HG ARG 21 3HG ARG 21 1.703 -9.533 -6.706 138 1HD ARG 21 2HD ARG 21 4.162 -8.269 -7.926 139 2HD ARG 21 3HD ARG 21 3.876 -9.931 -7.488 140 HE ARG 21 HE ARG 21 2.916 -10.384 -9.559 141 1HH1 ARG 21 2HH2 ARG 21 3.448 -6.837 -9.365 142 2HH1 ARG 21 1HH2 ARG 21 3.554 -6.720 -11.120 143 1HH2 ARG 21 2HH1 ARG 21 2.957 -9.981 -11.938 144 2HH2 ARG 21 1HH1 ARG 21 3.205 -8.297 -12.419 145 H VAL 22 H VAL 22 0.851 -6.424 -5.001 146 HA VAL 22 HA VAL 22 0.527 -8.774 -3.312 147 HB VAL 22 HB VAL 22 1.938 -6.119 -3.394 148 1HG1 VAL 22 1HG1 VAL 22 1.082 -7.385 -0.812 149 2HG1 VAL 22 2HG1 VAL 22 2.481 -6.291 -0.963 150 3HG1 VAL 22 3HG1 VAL 22 0.872 -5.702 -1.405 151 1HG2 VAL 22 1HG2 VAL 22 3.805 -7.277 -2.645 152 2HG2 VAL 22 2HG2 VAL 22 2.868 -8.781 -2.388 153 3HG2 VAL 22 3HG2 VAL 22 3.095 -8.119 -4.029 154 H LEU 23 H LEU 23 -0.691 -5.348 -3.278 155 HA LEU 23 HA LEU 23 -2.372 -5.753 -1.027 156 1HB LEU 23 2HB LEU 23 -1.992 -3.687 -3.074 157 2HB LEU 23 3HB LEU 23 -3.659 -3.786 -2.592 158 HG LEU 23 HG LEU 23 -1.347 -3.695 -0.605 159 1HD1 LEU 23 1HD1 LEU 23 -3.029 -1.381 -1.647 160 2HD1 LEU 23 2HD1 LEU 23 -1.709 -1.300 -0.461 161 3HD1 LEU 23 3HD1 LEU 23 -1.347 -1.695 -2.141 162 1HD2 LEU 23 1HD2 LEU 23 -4.272 -2.903 -0.374 163 2HD2 LEU 23 2HD2 LEU 23 -3.687 -4.495 0.120 164 3HD2 LEU 23 3HD2 LEU 23 -3.112 -3.060 0.970 165 H ASN 24 H ASN 24 -2.958 -6.221 -4.505 166 HA ASN 24 HA ASN 24 -5.671 -6.882 -4.508 167 1HB ASN 24 2HB ASN 24 -4.437 -6.704 -6.563 168 2HB ASN 24 3HB ASN 24 -3.292 -7.954 -6.063 169 1HD2 ASN 24 1HD2 ASN 24 -6.856 -8.063 -5.705 170 2HD2 ASN 24 2HD2 ASN 24 -7.041 -9.469 -6.734 171 H LYS 25 H LYS 25 -2.922 -8.846 -3.392 172 HA LYS 25 HA LYS 25 -4.436 -11.323 -3.196 173 1HB LYS 25 2HB LYS 25 -1.674 -10.448 -2.774 174 2HB LYS 25 3HB LYS 25 -2.241 -11.346 -1.400 175 1HG LYS 25 2HG LYS 25 -1.340 -12.982 -2.773 176 2HG LYS 25 3HG LYS 25 -3.032 -13.127 -3.232 177 1HD LYS 25 2HD LYS 25 -0.933 -11.435 -4.686 178 2HD LYS 25 3HD LYS 25 -1.282 -13.108 -5.115 179 1HE LYS 25 2HE LYS 25 -3.401 -12.630 -6.018 180 2HE LYS 25 3HE LYS 25 -3.568 -11.125 -5.130 181 1HZ LYS 25 1HZ LYS 25 -1.830 -11.487 -7.428 182 2HZ LYS 25 2HZ LYS 25 -3.188 -10.544 -7.264 183 3HZ LYS 25 3HZ LYS 25 -1.823 -10.168 -6.420 184 H LEU 26 H LEU 26 -4.059 -8.573 -1.063 185 HA LEU 26 HA LEU 26 -5.588 -9.792 1.134 186 1HB LEU 26 2HB LEU 26 -4.127 -7.950 1.544 187 2HB LEU 26 3HB LEU 26 -4.923 -6.922 0.370 188 HG LEU 26 HG LEU 26 -5.475 -6.086 2.393 189 1HD1 LEU 26 1HD1 LEU 26 -7.788 -6.026 2.449 190 2HD1 LEU 26 2HD1 LEU 26 -7.388 -6.403 0.755 191 3HD1 LEU 26 3HD1 LEU 26 -7.976 -7.674 1.853 192 1HD2 LEU 26 1HD2 LEU 26 -4.890 -8.018 3.784 193 2HD2 LEU 26 2HD2 LEU 26 -6.403 -7.209 4.247 194 3HD2 LEU 26 3HD2 LEU 26 -6.454 -8.772 3.379 195 H GLY 27 H GLY 27 -6.259 -7.554 -1.610 196 1HA GLY 27 2HA GLY 27 -7.956 -7.846 -3.178 197 2HA GLY 27 3HA GLY 27 -8.724 -9.069 -2.167 198 H GLY 28 H GLY 28 -9.408 -7.813 0.137 199 1HA GLY 28 2HA GLY 28 -11.657 -6.202 -0.728 200 2HA GLY 28 3HA GLY 28 -11.234 -6.635 0.927 201 H VAL 29 H VAL 29 -9.495 -4.750 -1.569 202 HA VAL 29 HA VAL 29 -9.221 -2.414 0.283 203 HB VAL 29 HB VAL 29 -6.938 -2.169 -0.753 204 1HG1 VAL 29 1HG1 VAL 29 -6.140 -4.562 0.387 205 2HG1 VAL 29 2HG1 VAL 29 -6.426 -3.047 1.268 206 3HG1 VAL 29 3HG1 VAL 29 -7.699 -4.262 1.165 207 1HG2 VAL 29 1HG2 VAL 29 -7.250 -5.056 -1.666 208 2HG2 VAL 29 2HG2 VAL 29 -7.377 -3.673 -2.769 209 3HG2 VAL 29 3HG2 VAL 29 -5.866 -3.972 -1.900 210 H LYS 30 H LYS 30 -9.100 -0.361 -0.787 211 HA LYS 30 HA LYS 30 -8.500 -0.527 -3.612 212 1HB LYS 30 2HB LYS 30 -10.847 1.061 -2.559 213 2HB LYS 30 3HB LYS 30 -9.808 1.846 -3.756 214 1HG LYS 30 2HG LYS 30 -11.031 -0.890 -4.118 215 2HG LYS 30 3HG LYS 30 -11.756 0.602 -4.736 216 1HD LYS 30 2HD LYS 30 -10.335 0.745 -6.520 217 2HD LYS 30 3HD LYS 30 -8.908 0.405 -5.571 218 1HE LYS 30 2HE LYS 30 -9.216 -1.327 -7.253 219 2HE LYS 30 3HE LYS 30 -9.328 -2.006 -5.621 220 1HZ LYS 30 1HZ LYS 30 -11.035 -2.852 -7.079 221 2HZ LYS 30 2HZ LYS 30 -11.705 -2.021 -5.835 222 3HZ LYS 30 3HZ LYS 30 -11.637 -1.343 -7.335 223 H TYR 31 H TYR 31 -7.167 1.331 -4.254 224 HA TYR 31 HA TYR 31 -6.065 2.853 -2.075 225 1HB TYR 31 2HB TYR 31 -3.765 1.840 -2.455 226 2HB TYR 31 3HB TYR 31 -4.901 0.855 -1.554 227 HD1 TYR 31 HD1 TYR 31 -6.135 -1.068 -2.684 228 HD2 TYR 31 HD2 TYR 31 -2.622 0.828 -4.285 229 HE1 TYR 31 HE1 TYR 31 -5.912 -2.894 -4.335 230 HE2 TYR 31 HE2 TYR 31 -2.309 -1.080 -5.828 231 HH TYR 31 HH TYR 31 -4.630 -3.803 -5.993 232 H ASP 32 H ASP 32 -5.155 4.669 -2.788 233 HA ASP 32 HA ASP 32 -4.861 5.026 -5.734 234 1HB ASP 32 2HB ASP 32 -6.186 6.765 -4.574 235 2HB ASP 32 3HB ASP 32 -4.803 7.114 -3.521 236 H ILE 33 H ILE 33 -2.818 5.986 -6.422 237 HA ILE 33 HA ILE 33 -0.466 4.863 -4.954 238 HB ILE 33 HB ILE 33 -1.605 4.243 -7.697 239 1HG1 ILE 33 2HG1 ILE 33 -0.700 2.280 -5.559 240 2HG1 ILE 33 3HG1 ILE 33 -2.344 2.934 -5.555 241 1HG2 ILE 33 1HG2 ILE 33 0.416 2.812 -8.040 242 2HG2 ILE 33 2HG2 ILE 33 0.748 4.542 -8.040 243 3HG2 ILE 33 3HG2 ILE 33 1.142 3.572 -6.603 244 1HD1 ILE 33 1HD1 ILE 33 -2.611 2.225 -7.989 245 2HD1 ILE 33 2HD1 ILE 33 -1.211 1.159 -7.710 246 3HD1 ILE 33 3HD1 ILE 33 -2.704 0.996 -6.761 247 H ASP 34 H ASP 34 0.548 6.825 -4.676 248 HA ASP 34 HA ASP 34 0.849 8.598 -7.071 249 1HB ASP 34 2HB ASP 34 0.059 9.661 -4.966 250 2HB ASP 34 3HB ASP 34 1.624 9.236 -4.235 251 H LEU 35 H LEU 35 2.497 7.906 -8.247 252 HA LEU 35 HA LEU 35 4.760 6.452 -7.112 253 1HB LEU 35 2HB LEU 35 3.923 7.283 -9.878 254 2HB LEU 35 3HB LEU 35 5.625 6.958 -9.561 255 HG LEU 35 HG LEU 35 3.370 4.990 -8.923 256 1HD1 LEU 35 1HD1 LEU 35 3.467 5.387 -11.360 257 2HD1 LEU 35 2HD1 LEU 35 5.219 5.075 -11.354 258 3HD1 LEU 35 3HD1 LEU 35 4.084 3.773 -10.964 259 1HD2 LEU 35 1HD2 LEU 35 5.451 4.486 -7.661 260 2HD2 LEU 35 2HD2 LEU 35 5.223 3.297 -8.935 261 3HD2 LEU 35 3HD2 LEU 35 6.390 4.612 -9.157 262 HA PRO 36 HA PRO 36 7.295 10.334 -8.243 263 1HB PRO 36 2HB PRO 36 5.997 12.797 -8.341 264 2HB PRO 36 3HB PRO 36 6.454 11.799 -9.749 265 1HG PRO 36 2HG PRO 36 3.782 11.924 -8.349 266 2HG PRO 36 3HG PRO 36 4.101 11.951 -10.106 267 1HD PRO 36 2HD PRO 36 3.338 9.698 -8.897 268 2HD PRO 36 3HD PRO 36 4.632 9.622 -10.122 269 H ASN 37 H ASN 37 4.419 10.649 -6.154 270 HA ASN 37 HA ASN 37 6.175 11.757 -3.977 271 1HB ASN 37 2HB ASN 37 3.162 11.555 -3.924 272 2HB ASN 37 3HB ASN 37 4.214 12.288 -2.742 273 1HD2 ASN 37 1HD2 ASN 37 2.359 12.983 -5.513 274 2HD2 ASN 37 2HD2 ASN 37 3.048 14.577 -5.836 275 H LYS 38 H LYS 38 5.823 8.842 -5.100 276 HA LYS 38 HA LYS 38 6.031 6.747 -4.229 277 1HB LYS 38 2HB LYS 38 7.964 6.721 -2.806 278 2HB LYS 38 3HB LYS 38 8.155 7.876 -4.104 279 1HG LYS 38 2HG LYS 38 7.823 9.770 -2.655 280 2HG LYS 38 3HG LYS 38 7.305 8.749 -1.310 281 1HD LYS 38 2HD LYS 38 10.090 8.989 -2.502 282 2HD LYS 38 3HD LYS 38 9.522 9.517 -0.904 283 1HE LYS 38 2HE LYS 38 8.880 6.946 -0.595 284 2HE LYS 38 3HE LYS 38 9.993 6.710 -1.953 285 1HZ LYS 38 1HZ LYS 38 11.031 6.417 0.141 286 2HZ LYS 38 2HZ LYS 38 11.736 7.676 -0.637 287 3HZ LYS 38 3HZ LYS 38 10.695 7.944 0.627 288 H LYS 39 H LYS 39 3.573 6.978 -3.525 289 HA LYS 39 HA LYS 39 3.415 6.179 -0.698 290 1HB LYS 39 2HB LYS 39 2.446 8.785 -1.944 291 2HB LYS 39 3HB LYS 39 1.389 8.004 -0.773 292 1HG LYS 39 2HG LYS 39 3.071 8.062 0.939 293 2HG LYS 39 3HG LYS 39 4.261 8.808 -0.156 294 1HD LYS 39 2HD LYS 39 2.859 10.786 -0.442 295 2HD LYS 39 3HD LYS 39 1.506 9.978 0.366 296 1HE LYS 39 2HE LYS 39 3.121 9.794 2.422 297 2HE LYS 39 3HE LYS 39 4.039 11.096 1.651 298 1HZ LYS 39 1HZ LYS 39 2.262 12.543 2.151 299 2HZ LYS 39 2HZ LYS 39 1.133 11.320 1.973 300 3HZ LYS 39 3HZ LYS 39 1.956 11.336 3.298 301 H VAL 40 H VAL 40 1.534 5.099 -0.197 302 HA VAL 40 HA VAL 40 -0.432 4.599 -2.371 303 HB VAL 40 HB VAL 40 0.326 2.736 -0.082 304 1HG1 VAL 40 1HG1 VAL 40 -1.347 2.311 -2.595 305 2HG1 VAL 40 2HG1 VAL 40 -1.053 1.117 -1.309 306 3HG1 VAL 40 3HG1 VAL 40 -1.998 2.583 -0.971 307 1HG2 VAL 40 1HG2 VAL 40 2.192 2.889 -1.762 308 2HG2 VAL 40 2HG2 VAL 40 1.407 1.309 -1.672 309 3HG2 VAL 40 3HG2 VAL 40 1.027 2.407 -3.020 310 H CYS 41 H CYS 41 -2.484 5.254 -1.740 311 HA CYS 41 HA CYS 41 -3.024 5.804 1.183 312 1HB CYS 41 2HB CYS 41 -4.128 7.087 -1.335 313 2HB CYS 41 3HB CYS 41 -4.840 7.288 0.276 314 HG CYS 41 HG CYS 41 -3.466 9.427 -0.364 315 H ILE 42 H ILE 42 -3.815 3.906 1.863 316 HA ILE 42 HA ILE 42 -5.529 2.440 0.016 317 HB ILE 42 HB ILE 42 -4.639 1.508 2.780 318 1HG1 ILE 42 2HG1 ILE 42 -3.230 1.119 0.122 319 2HG1 ILE 42 3HG1 ILE 42 -2.648 2.024 1.549 320 1HG2 ILE 42 1HG2 ILE 42 -5.769 0.115 0.305 321 2HG2 ILE 42 2HG2 ILE 42 -5.106 -0.770 1.661 322 3HG2 ILE 42 3HG2 ILE 42 -6.505 0.264 1.904 323 1HD1 ILE 42 1HD1 ILE 42 -2.311 0.049 2.824 324 2HD1 ILE 42 2HD1 ILE 42 -2.926 -0.964 1.501 325 3HD1 ILE 42 3HD1 ILE 42 -1.454 -0.032 1.314 326 H GLU 43 H GLU 43 -7.713 1.934 0.487 327 HA GLU 43 HA GLU 43 -8.759 2.684 3.115 328 1HB GLU 43 2HB GLU 43 -9.502 4.416 1.391 329 2HB GLU 43 3HB GLU 43 -10.410 3.123 0.590 330 1HG GLU 43 2HG GLU 43 -11.737 2.759 2.630 331 2HG GLU 43 3HG GLU 43 -10.706 3.873 3.541 332 H SER 44 H SER 44 -9.691 0.901 4.030 333 HA SER 44 HA SER 44 -10.443 -1.408 2.315 334 1HB SER 44 2HB SER 44 -7.948 -1.427 2.458 335 2HB SER 44 3HB SER 44 -8.065 -1.428 4.233 336 HG SER 44 HG SER 44 -9.190 -3.440 4.017 337 H GLU 45 H GLU 45 -11.965 -2.661 3.351 338 HA GLU 45 HA GLU 45 -12.597 -2.078 6.177 339 1HB GLU 45 2HB GLU 45 -14.332 -2.440 4.351 340 2HB GLU 45 3HB GLU 45 -13.909 -4.160 4.396 341 1HG GLU 45 2HG GLU 45 -14.542 -4.236 6.791 342 2HG GLU 45 3HG GLU 45 -14.844 -2.488 6.784 343 H HIS 46 H HIS 46 -10.163 -2.716 6.406 344 HA HIS 46 HA HIS 46 -10.051 -5.390 7.576 345 1HB HIS 46 2HB HIS 46 -8.103 -4.511 5.389 346 2HB HIS 46 3HB HIS 46 -7.778 -5.786 6.544 347 HD1 HIS 46 1HD HIS 46 -8.328 -8.133 5.793 348 HD2 HIS 46 2HD HIS 46 -10.345 -5.131 3.648 349 HE1 HIS 46 1HE HIS 46 -9.399 -9.255 3.777 350 H SER 47 H SER 47 -8.120 -5.496 8.996 351 HA SER 47 HA SER 47 -7.732 -2.977 10.375 352 1HB SER 47 2HB SER 47 -7.849 -4.955 11.709 353 2HB SER 47 3HB SER 47 -6.621 -5.768 10.728 354 HG SER 47 HG SER 47 -5.273 -5.048 12.066 355 H MET 48 H MET 48 -5.745 -1.960 10.784 356 HA MET 48 HA MET 48 -4.157 -1.514 8.454 357 1HB MET 48 2HB MET 48 -2.999 0.108 9.640 358 2HB MET 48 3HB MET 48 -4.667 0.177 10.230 359 1HG MET 48 2HG MET 48 -3.889 -1.342 12.099 360 2HG MET 48 3HG MET 48 -2.221 -0.985 11.579 361 1HE MET 48 1HE MET 48 -1.620 -0.195 14.016 362 2HE MET 48 2HE MET 48 -2.537 1.046 14.903 363 3HE MET 48 3HE MET 48 -3.292 -0.525 14.541 364 H ASP 49 H ASP 49 -3.797 -3.639 11.269 365 HA ASP 49 HA ASP 49 -1.000 -4.194 10.983 366 1HB ASP 49 2HB ASP 49 -1.311 -5.908 12.501 367 2HB ASP 49 3HB ASP 49 -2.602 -4.796 12.959 368 H THR 50 H THR 50 -3.916 -5.738 9.818 369 HA THR 50 HA THR 50 -2.812 -7.752 8.247 370 HB THR 50 HB THR 50 -5.436 -6.305 7.695 371 HG1 THR 50 1HG THR 50 -4.895 -7.173 10.032 372 1HG2 THR 50 1HG2 THR 50 -4.642 -9.232 7.410 373 2HG2 THR 50 2HG2 THR 50 -6.192 -8.501 6.951 374 3HG2 THR 50 3HG2 THR 50 -4.710 -8.076 6.067 375 H LEU 51 H LEU 51 -3.911 -4.440 7.222 376 HA LEU 51 HA LEU 51 -2.946 -4.588 4.554 377 1HB LEU 51 2HB LEU 51 -2.982 -2.191 6.454 378 2HB LEU 51 3HB LEU 51 -2.501 -2.138 4.765 379 HG LEU 51 HG LEU 51 -5.230 -2.392 5.958 380 1HD1 LEU 51 1HD1 LEU 51 -5.657 -0.761 4.102 381 2HD1 LEU 51 2HD1 LEU 51 -4.249 -0.260 5.056 382 3HD1 LEU 51 3HD1 LEU 51 -4.015 -1.050 3.495 383 1HD2 LEU 51 1HD2 LEU 51 -6.157 -3.141 3.770 384 2HD2 LEU 51 2HD2 LEU 51 -4.523 -3.510 3.200 385 3HD2 LEU 51 3HD2 LEU 51 -5.237 -4.414 4.565 386 H LEU 52 H LEU 52 -1.141 -3.538 7.487 387 HA LEU 52 HA LEU 52 1.337 -3.037 6.256 388 1HB LEU 52 2HB LEU 52 0.482 -3.833 8.992 389 2HB LEU 52 3HB LEU 52 2.086 -4.364 8.486 390 HG LEU 52 HG LEU 52 2.479 -1.872 7.822 391 1HD1 LEU 52 1HD1 LEU 52 0.066 -1.179 8.190 392 2HD1 LEU 52 2HD1 LEU 52 0.244 -1.592 9.903 393 3HD1 LEU 52 3HD1 LEU 52 1.208 -0.278 9.208 394 1HD2 LEU 52 1HD2 LEU 52 3.655 -3.040 9.566 395 2HD2 LEU 52 2HD2 LEU 52 3.223 -1.409 10.118 396 3HD2 LEU 52 3HD2 LEU 52 2.292 -2.816 10.693 397 H ALA 53 H ALA 53 0.201 -6.170 7.657 398 HA ALA 53 HA ALA 53 2.524 -7.566 6.852 399 1HB ALA 53 1HB ALA 53 0.924 -8.372 8.595 400 2HB ALA 53 2HB ALA 53 -0.306 -8.648 7.342 401 3HB ALA 53 3HB ALA 53 1.185 -9.615 7.352 402 H THR 54 H THR 54 -0.547 -7.032 5.021 403 HA THR 54 HA THR 54 0.186 -8.618 2.780 404 HB THR 54 HB THR 54 -1.439 -6.037 2.952 405 HG1 THR 54 1HG THR 54 -2.113 -8.775 3.235 406 1HG2 THR 54 1HG2 THR 54 -0.738 -6.658 0.643 407 2HG2 THR 54 2HG2 THR 54 -1.483 -8.258 0.878 408 3HG2 THR 54 3HG2 THR 54 -2.467 -6.770 0.925 409 H LEU 55 H LEU 55 0.718 -5.081 3.455 410 HA LEU 55 HA LEU 55 1.863 -4.668 0.836 411 1HB LEU 55 2HB LEU 55 1.343 -3.101 3.297 412 2HB LEU 55 3HB LEU 55 2.712 -2.534 2.319 413 HG LEU 55 HG LEU 55 -0.188 -2.586 1.547 414 1HD1 LEU 55 1HD1 LEU 55 0.619 -0.066 1.236 415 2HD1 LEU 55 2HD1 LEU 55 0.331 -0.699 2.875 416 3HD1 LEU 55 3HD1 LEU 55 1.970 -0.524 2.229 417 1HD2 LEU 55 1HD2 LEU 55 1.000 -3.173 -0.494 418 2HD2 LEU 55 2HD2 LEU 55 0.589 -1.460 -0.529 419 3HD2 LEU 55 3HD2 LEU 55 2.258 -1.951 -0.158 420 H LYS 56 H LYS 56 3.186 -5.406 4.003 421 HA LYS 56 HA LYS 56 5.936 -5.183 3.648 422 1HB LYS 56 2HB LYS 56 4.154 -7.122 5.154 423 2HB LYS 56 3HB LYS 56 5.916 -7.289 5.157 424 1HG LYS 56 2HG LYS 56 6.249 -5.168 6.111 425 2HG LYS 56 3HG LYS 56 4.610 -4.632 5.847 426 1HD LYS 56 2HD LYS 56 5.127 -4.987 8.180 427 2HD LYS 56 3HD LYS 56 3.834 -6.059 7.705 428 1HE LYS 56 2HE LYS 56 6.783 -6.896 7.838 429 2HE LYS 56 3HE LYS 56 5.698 -6.992 9.228 430 1HZ LYS 56 1HZ LYS 56 5.242 -8.405 6.695 431 2HZ LYS 56 2HZ LYS 56 5.864 -9.073 8.063 432 3HZ LYS 56 3HZ LYS 56 4.321 -8.511 8.056 433 H LYS 57 H LYS 57 3.741 -7.571 2.155 434 HA LYS 57 HA LYS 57 5.768 -9.456 1.425 435 1HB LYS 57 2HB LYS 57 3.166 -8.827 -0.004 436 2HB LYS 57 3HB LYS 57 4.138 -10.278 -0.224 437 1HG LYS 57 2HG LYS 57 2.792 -9.495 2.395 438 2HG LYS 57 3HG LYS 57 2.110 -10.572 1.174 439 1HD LYS 57 2HD LYS 57 4.005 -12.156 1.502 440 2HD LYS 57 3HD LYS 57 4.756 -11.033 2.639 441 1HE LYS 57 2HE LYS 57 3.648 -12.779 3.896 442 2HE LYS 57 3HE LYS 57 2.870 -11.217 4.196 443 1HZ LYS 57 1HZ LYS 57 1.286 -12.989 3.867 444 2HZ LYS 57 2HZ LYS 57 1.125 -11.852 2.696 445 3HZ LYS 57 3HZ LYS 57 1.859 -13.290 2.357 446 H THR 58 H THR 58 5.166 -6.242 0.149 447 HA THR 58 HA THR 58 6.398 -6.590 -2.434 448 HB THR 58 HB THR 58 7.052 -4.243 -2.198 449 HG1 THR 58 1HG THR 58 5.851 -4.232 0.358 450 1HG2 THR 58 1HG2 THR 58 4.812 -4.673 -2.957 451 2HG2 THR 58 2HG2 THR 58 4.215 -4.815 -1.292 452 3HG2 THR 58 3HG2 THR 58 4.814 -3.255 -1.874 453 H GLY 59 H GLY 59 7.598 -6.296 0.866 454 1HA GLY 59 2HA GLY 59 9.576 -6.296 1.813 455 2HA GLY 59 3HA GLY 59 10.208 -7.330 0.504 456 H LYS 60 H LYS 60 8.849 -4.069 0.073 457 HA LYS 60 HA LYS 60 11.544 -2.947 -0.623 458 1HB LYS 60 2HB LYS 60 8.779 -1.738 -0.855 459 2HB LYS 60 3HB LYS 60 10.285 -1.033 -1.452 460 1HG LYS 60 2HG LYS 60 10.576 -2.722 -3.148 461 2HG LYS 60 3HG LYS 60 9.299 -3.717 -2.480 462 1HD LYS 60 2HD LYS 60 8.454 -2.610 -4.482 463 2HD LYS 60 3HD LYS 60 7.577 -2.109 -3.037 464 1HE LYS 60 2HE LYS 60 7.921 -0.156 -4.361 465 2HE LYS 60 3HE LYS 60 8.916 -0.012 -2.923 466 1HZ LYS 60 1HZ LYS 60 9.747 -0.419 -5.708 467 2HZ LYS 60 2HZ LYS 60 10.289 0.618 -4.565 468 3HZ LYS 60 3HZ LYS 60 10.739 -0.954 -4.476 469 H THR 61 H THR 61 11.768 -0.575 0.338 470 HA THR 61 HA THR 61 11.109 -0.513 3.104 471 HB THR 61 HB THR 61 11.625 2.112 2.165 472 HG1 THR 61 1HG THR 61 13.035 1.931 0.587 473 1HG2 THR 61 1HG2 THR 61 13.880 1.749 3.084 474 2HG2 THR 61 2HG2 THR 61 12.645 1.069 4.161 475 3HG2 THR 61 3HG2 THR 61 13.603 -0.005 3.113 476 H VAL 62 H VAL 62 9.141 -0.234 3.900 477 HA VAL 62 HA VAL 62 7.274 1.655 2.658 478 HB VAL 62 HB VAL 62 6.467 -0.419 1.814 479 1HG1 VAL 62 1HG1 VAL 62 7.669 -2.049 3.211 480 2HG1 VAL 62 2HG1 VAL 62 6.687 -1.600 4.621 481 3HG1 VAL 62 3HG1 VAL 62 5.937 -2.386 3.218 482 1HG2 VAL 62 1HG2 VAL 62 4.767 1.111 2.943 483 2HG2 VAL 62 2HG2 VAL 62 4.280 -0.585 2.764 484 3HG2 VAL 62 3HG2 VAL 62 4.823 0.018 4.338 485 H SER 63 H SER 63 5.980 2.731 4.240 486 HA SER 63 HA SER 63 6.014 1.766 6.978 487 1HB SER 63 2HB SER 63 8.102 3.125 6.936 488 2HB SER 63 3HB SER 63 7.147 4.542 6.436 489 HG SER 63 HG SER 63 7.468 4.377 8.746 490 H TYR 64 H TYR 64 4.718 3.438 8.319 491 HA TYR 64 HA TYR 64 2.112 3.548 6.839 492 1HB TYR 64 2HB TYR 64 2.413 1.693 8.413 493 2HB TYR 64 3HB TYR 64 2.839 2.814 9.704 494 HD1 TYR 64 HD1 TYR 64 0.107 1.486 7.642 495 HD2 TYR 64 HD2 TYR 64 1.112 4.217 10.806 496 HE1 TYR 64 HE1 TYR 64 -2.288 1.701 8.205 497 HE2 TYR 64 HE2 TYR 64 -1.295 4.558 11.271 498 HH TYR 64 HH TYR 64 -3.380 4.373 10.137 499 H LEU 65 H LEU 65 0.878 5.424 6.974 500 HA LEU 65 HA LEU 65 1.586 7.440 8.996 501 1HB LEU 65 2HB LEU 65 1.028 7.987 6.111 502 2HB LEU 65 3HB LEU 65 1.152 9.174 7.410 503 HG LEU 65 HG LEU 65 3.501 7.886 7.845 504 1HD1 LEU 65 1HD1 LEU 65 4.477 7.231 5.686 505 2HD1 LEU 65 2HD1 LEU 65 3.028 6.271 6.019 506 3HD1 LEU 65 3HD1 LEU 65 2.927 7.599 4.860 507 1HD2 LEU 65 1HD2 LEU 65 3.224 10.261 7.424 508 2HD2 LEU 65 2HD2 LEU 65 4.565 9.600 6.454 509 3HD2 LEU 65 3HD2 LEU 65 2.995 9.942 5.685 510 H GLY 66 H GLY 66 -0.209 8.203 10.093 511 1HA GLY 66 2HA GLY 66 -2.283 9.025 10.506 512 2HA GLY 66 3HA GLY 66 -2.570 8.986 8.761 513 H LEU 67 H LEU 67 -4.769 8.621 10.216 514 HA LEU 67 HA LEU 67 -5.584 5.968 9.445 515 1HB LEU 67 2HB LEU 67 -4.776 5.552 11.735 516 2HB LEU 67 3HB LEU 67 -5.698 6.931 12.340 517 HG LEU 67 HG LEU 67 -7.821 5.818 11.747 518 1HD1 LEU 67 1HD1 LEU 67 -6.025 3.485 10.948 519 2HD1 LEU 67 2HD1 LEU 67 -7.782 3.375 11.178 520 3HD1 LEU 67 3HD1 LEU 67 -7.135 4.375 9.878 521 1HD2 LEU 67 1HD2 LEU 67 -5.960 4.105 13.451 522 2HD2 LEU 67 2HD2 LEU 67 -6.842 5.547 13.999 523 3HD2 LEU 67 3HD2 LEU 67 -7.737 4.097 13.510 524 H GLU 68 H GLU 68 -7.531 6.424 8.388 525 HA GLU 68 HA GLU 68 -9.432 8.331 9.588 526 1HB GLU 68 2HB GLU 68 -8.356 8.663 6.794 527 2HB GLU 68 3HB GLU 68 -9.692 9.604 7.542 528 1HG GLU 68 2HG GLU 68 -8.035 10.760 8.911 529 2HG GLU 68 3HG GLU 68 -6.736 9.816 8.145 Start of MODEL 15 1 1H MET 1 H1 MET 1 -11.479 7.609 8.164 2 2H MET 1 H2 MET 1 -12.892 8.221 7.615 3 3H MET 1 H3 MET 1 -12.808 7.307 9.035 4 HA MET 1 HA MET 1 -13.694 5.922 7.269 5 1HB MET 1 2HB MET 1 -11.002 6.580 5.974 6 2HB MET 1 3HB MET 1 -12.161 5.402 5.369 7 1HG MET 1 2HG MET 1 -12.474 7.325 4.052 8 2HG MET 1 3HG MET 1 -13.847 7.254 5.152 9 1HE MET 1 1HE MET 1 -13.505 11.085 4.786 10 2HE MET 1 2HE MET 1 -13.414 9.815 3.542 11 3HE MET 1 3HE MET 1 -14.616 9.696 4.851 12 HA PRO 2 HA PRO 2 -10.089 3.305 8.754 13 1HB PRO 2 2HB PRO 2 -10.506 0.840 7.806 14 2HB PRO 2 3HB PRO 2 -11.647 1.538 8.982 15 1HG PRO 2 2HG PRO 2 -11.992 1.363 5.978 16 2HG PRO 2 3HG PRO 2 -13.183 0.989 7.249 17 1HD PRO 2 2HD PRO 2 -12.943 3.392 5.852 18 2HD PRO 2 3HD PRO 2 -13.747 3.243 7.438 19 H LYS 3 H LYS 3 -9.110 5.080 7.172 20 HA LYS 3 HA LYS 3 -7.898 3.583 4.911 21 1HB LYS 3 2HB LYS 3 -7.947 5.385 3.456 22 2HB LYS 3 3HB LYS 3 -9.559 5.375 4.177 23 1HG LYS 3 2HG LYS 3 -8.765 7.148 5.773 24 2HG LYS 3 3HG LYS 3 -7.227 7.188 4.894 25 1HD LYS 3 2HD LYS 3 -8.488 7.821 2.806 26 2HD LYS 3 3HD LYS 3 -9.997 7.717 3.709 27 1HE LYS 3 2HE LYS 3 -9.374 10.067 3.611 28 2HE LYS 3 3HE LYS 3 -9.202 9.498 5.275 29 1HZ LYS 3 1HZ LYS 3 -6.796 9.211 4.766 30 2HZ LYS 3 2HZ LYS 3 -7.020 10.014 3.346 31 3HZ LYS 3 3HZ LYS 3 -7.261 10.716 4.825 32 H HIS 4 H HIS 4 -5.754 4.152 4.362 33 HA HIS 4 HA HIS 4 -4.131 5.230 6.606 34 1HB HIS 4 2HB HIS 4 -3.547 2.472 5.559 35 2HB HIS 4 3HB HIS 4 -3.178 3.171 7.129 36 HD1 HIS 4 1HD HIS 4 -5.908 1.297 5.212 37 HD2 HIS 4 2HD HIS 4 -5.249 3.059 8.969 38 HE1 HIS 4 1HE HIS 4 -7.752 0.432 6.751 39 H GLU 5 H GLU 5 -2.456 6.372 5.664 40 HA GLU 5 HA GLU 5 -1.769 5.805 2.847 41 1HB GLU 5 2HB GLU 5 -1.850 8.196 3.639 42 2HB GLU 5 3HB GLU 5 -0.446 7.845 4.649 43 1HG GLU 5 2HG GLU 5 0.622 6.950 2.383 44 2HG GLU 5 3HG GLU 5 -0.673 7.862 1.625 45 H PHE 6 H PHE 6 0.007 4.727 2.269 46 HA PHE 6 HA PHE 6 2.118 4.072 4.261 47 1HB PHE 6 2HB PHE 6 1.018 2.333 2.026 48 2HB PHE 6 3HB PHE 6 2.582 2.076 2.789 49 HD1 PHE 6 1HD PHE 6 -1.101 2.365 3.691 50 HD2 PHE 6 2HD PHE 6 2.742 0.646 4.679 51 HE1 PHE 6 1HE PHE 6 -2.171 0.796 5.269 52 HE2 PHE 6 2HE PHE 6 1.665 -0.903 6.175 53 HZ PHE 6 HZ PHE 6 -0.825 -0.856 6.506 54 H SER 7 H SER 7 3.745 5.359 3.778 55 HA SER 7 HA SER 7 4.083 6.469 1.073 56 1HB SER 7 2HB SER 7 4.493 7.906 2.890 57 2HB SER 7 3HB SER 7 5.699 6.813 3.612 58 HG SER 7 HG SER 7 6.654 8.497 2.345 59 H VAL 8 H VAL 8 5.183 5.379 -0.432 60 HA VAL 8 HA VAL 8 6.678 2.898 0.368 61 HB VAL 8 HB VAL 8 4.858 3.304 -2.015 62 1HG1 VAL 8 1HG1 VAL 8 6.829 1.963 -2.656 63 2HG1 VAL 8 2HG1 VAL 8 6.601 0.925 -1.234 64 3HG1 VAL 8 3HG1 VAL 8 5.406 0.937 -2.545 65 1HG2 VAL 8 1HG2 VAL 8 3.603 2.785 0.064 66 2HG2 VAL 8 2HG2 VAL 8 3.580 1.395 -1.032 67 3HG2 VAL 8 3HG2 VAL 8 4.672 1.403 0.358 68 H ASP 9 H ASP 9 8.739 3.165 -0.093 69 HA ASP 9 HA ASP 9 9.760 5.185 -1.835 70 1HB ASP 9 2HB ASP 9 10.909 4.221 0.118 71 2HB ASP 9 3HB ASP 9 11.009 2.662 -0.740 72 H MET 10 H MET 10 8.332 4.689 -3.668 73 HA MET 10 HA MET 10 8.896 2.412 -5.386 74 1HB MET 10 2HB MET 10 7.522 5.071 -5.979 75 2HB MET 10 3HB MET 10 7.483 3.645 -7.012 76 1HG MET 10 2HG MET 10 6.293 2.398 -5.187 77 2HG MET 10 3HG MET 10 6.252 3.904 -4.260 78 1HE MET 10 1HE MET 10 2.540 3.777 -5.163 79 2HE MET 10 2HE MET 10 3.613 2.490 -4.555 80 3HE MET 10 3HE MET 10 3.731 4.152 -3.906 81 H THR 11 H THR 11 9.457 3.049 -7.773 82 HA THR 11 HA THR 11 11.175 5.393 -8.055 83 HB THR 11 HB THR 11 12.410 2.709 -8.791 84 HG1 THR 11 1HG THR 11 12.396 4.084 -6.365 85 1HG2 THR 11 1HG2 THR 11 14.469 4.075 -8.867 86 2HG2 THR 11 2HG2 THR 11 13.249 4.741 -9.972 87 3HG2 THR 11 3HG2 THR 11 13.542 5.516 -8.398 88 H CYS 12 HN CYS 12 9.994 2.357 -9.585 89 HA CYS 12 HA CYS 12 9.218 3.923 -11.994 90 1HB CYS 12 2HB CYS 12 9.651 1.783 -13.234 91 2HB CYS 12 3HB CYS 12 11.098 2.563 -12.605 92 H GLY 13 H GLY 13 7.424 2.890 -13.112 93 1HA GLY 13 2HA GLY 13 5.066 2.505 -11.783 94 2HA GLY 13 3HA GLY 13 5.449 1.741 -13.334 95 H GLY 14 H GLY 14 7.420 0.000 -12.664 96 1HA GLY 14 2HA GLY 14 6.399 -2.351 -11.938 97 2HA GLY 14 3HA GLY 14 8.069 -1.875 -11.565 98 H CYS 15 HN CYS 15 7.560 0.086 -9.524 99 HA CYS 15 HA CYS 15 7.294 -1.725 -7.274 100 1HB CYS 15 2HB CYS 15 7.369 1.303 -7.396 101 2HB CYS 15 3HB CYS 15 7.579 0.313 -5.942 102 H ALA 16 H ALA 16 5.210 0.762 -8.775 103 HA ALA 16 HA ALA 16 3.082 0.618 -6.819 104 1HB ALA 16 1HB ALA 16 1.757 1.704 -8.602 105 2HB ALA 16 2HB ALA 16 3.273 2.565 -8.262 106 3HB ALA 16 3HB ALA 16 3.111 1.564 -9.723 107 H GLU 17 H GLU 17 3.707 -0.901 -10.004 108 HA GLU 17 HA GLU 17 1.363 -2.454 -10.226 109 1HB GLU 17 2HB GLU 17 4.210 -2.985 -11.162 110 2HB GLU 17 3HB GLU 17 2.803 -3.887 -11.722 111 1HG GLU 17 2HG GLU 17 1.893 -2.027 -12.863 112 2HG GLU 17 3HG GLU 17 2.880 -0.853 -11.991 113 H ALA 18 H ALA 18 4.550 -3.308 -8.783 114 HA ALA 18 HA ALA 18 3.924 -5.906 -7.901 115 1HB ALA 18 1HB ALA 18 5.757 -3.847 -6.607 116 2HB ALA 18 2HB ALA 18 5.771 -5.595 -6.305 117 3HB ALA 18 3HB ALA 18 6.205 -4.971 -7.912 118 H VAL 19 H VAL 19 3.626 -2.744 -6.084 119 HA VAL 19 HA VAL 19 2.520 -3.875 -3.767 120 HB VAL 19 HB VAL 19 2.306 -1.127 -5.078 121 1HG1 VAL 19 1HG1 VAL 19 1.040 -2.288 -2.614 122 2HG1 VAL 19 2HG1 VAL 19 1.409 -0.542 -2.715 123 3HG1 VAL 19 3HG1 VAL 19 0.303 -1.256 -3.893 124 1HG2 VAL 19 1HG2 VAL 19 3.721 -2.138 -2.563 125 2HG2 VAL 19 2HG2 VAL 19 4.514 -1.725 -4.101 126 3HG2 VAL 19 3HG2 VAL 19 3.704 -0.468 -3.164 127 H SER 20 H SER 20 0.919 -2.656 -6.747 128 HA SER 20 HA SER 20 -1.754 -3.008 -5.889 129 1HB SER 20 2HB SER 20 -0.815 -1.980 -8.098 130 2HB SER 20 3HB SER 20 -0.789 -3.617 -8.738 131 HG SER 20 HG SER 20 -2.757 -2.551 -9.209 132 H ARG 21 H ARG 21 0.407 -5.275 -7.560 133 HA ARG 21 HA ARG 21 -1.244 -7.571 -7.511 134 1HB ARG 21 2HB ARG 21 0.514 -8.225 -8.652 135 2HB ARG 21 3HB ARG 21 1.550 -6.973 -7.996 136 1HG ARG 21 2HG ARG 21 2.157 -8.349 -6.079 137 2HG ARG 21 3HG ARG 21 1.082 -9.648 -6.616 138 1HD ARG 21 2HD ARG 21 3.485 -8.500 -8.103 139 2HD ARG 21 3HD ARG 21 3.460 -10.037 -7.210 140 HE ARG 21 HE ARG 21 1.384 -10.228 -9.058 141 1HH1 ARG 21 2HH2 ARG 21 4.881 -9.822 -9.183 142 2HH1 ARG 21 1HH2 ARG 21 5.082 -10.534 -10.753 143 1HH2 ARG 21 2HH1 ARG 21 1.600 -11.187 -11.159 144 2HH2 ARG 21 1HH1 ARG 21 3.161 -11.347 -11.890 145 H VAL 22 H VAL 22 0.963 -6.402 -4.937 146 HA VAL 22 HA VAL 22 0.590 -8.667 -3.247 147 HB VAL 22 HB VAL 22 2.288 -6.488 -3.323 148 1HG1 VAL 22 1HG1 VAL 22 2.186 -5.355 -1.153 149 2HG1 VAL 22 2HG1 VAL 22 0.743 -4.958 -2.045 150 3HG1 VAL 22 3HG1 VAL 22 0.679 -6.156 -0.740 151 1HG2 VAL 22 1HG2 VAL 22 3.301 -7.359 -1.322 152 2HG2 VAL 22 2HG2 VAL 22 1.851 -8.332 -0.974 153 3HG2 VAL 22 3HG2 VAL 22 2.838 -8.673 -2.426 154 H LEU 23 H LEU 23 -0.943 -5.498 -3.357 155 HA LEU 23 HA LEU 23 -2.588 -5.947 -1.036 156 1HB LEU 23 2HB LEU 23 -2.156 -3.808 -3.013 157 2HB LEU 23 3HB LEU 23 -3.804 -3.879 -2.507 158 HG LEU 23 HG LEU 23 -1.438 -3.937 -0.573 159 1HD1 LEU 23 1HD1 LEU 23 -1.665 -1.563 -0.338 160 2HD1 LEU 23 2HD1 LEU 23 -1.461 -1.881 -2.056 161 3HD1 LEU 23 3HD1 LEU 23 -3.087 -1.526 -1.422 162 1HD2 LEU 23 1HD2 LEU 23 -3.750 -4.700 0.254 163 2HD2 LEU 23 2HD2 LEU 23 -3.146 -3.249 1.069 164 3HD2 LEU 23 3HD2 LEU 23 -4.344 -3.111 -0.241 165 H ASN 24 H ASN 24 -3.022 -6.282 -4.596 166 HA ASN 24 HA ASN 24 -5.802 -6.780 -4.562 167 1HB ASN 24 2HB ASN 24 -4.605 -6.261 -6.615 168 2HB ASN 24 3HB ASN 24 -3.680 -7.769 -6.504 169 1HD2 ASN 24 1HD2 ASN 24 -6.985 -8.214 -5.469 170 2HD2 ASN 24 2HD2 ASN 24 -7.524 -8.871 -6.997 171 H LYS 25 H LYS 25 -3.001 -8.994 -4.140 172 HA LYS 25 HA LYS 25 -4.406 -11.382 -3.851 173 1HB LYS 25 2HB LYS 25 -1.801 -10.288 -3.123 174 2HB LYS 25 3HB LYS 25 -2.335 -11.384 -1.892 175 1HG LYS 25 2HG LYS 25 -2.451 -12.113 -4.861 176 2HG LYS 25 3HG LYS 25 -0.931 -12.160 -3.988 177 1HD LYS 25 2HD LYS 25 -1.886 -14.373 -4.117 178 2HD LYS 25 3HD LYS 25 -1.719 -13.836 -2.439 179 1HE LYS 25 2HE LYS 25 -4.098 -13.417 -2.258 180 2HE LYS 25 3HE LYS 25 -4.352 -13.694 -3.995 181 1HZ LYS 25 1HZ LYS 25 -5.014 -15.540 -2.653 182 2HZ LYS 25 2HZ LYS 25 -3.772 -15.987 -3.630 183 3HZ LYS 25 3HZ LYS 25 -3.509 -15.714 -2.024 184 H LEU 26 H LEU 26 -4.234 -8.702 -1.496 185 HA LEU 26 HA LEU 26 -5.790 -10.122 0.552 186 1HB LEU 26 2HB LEU 26 -4.271 -8.350 1.143 187 2HB LEU 26 3HB LEU 26 -5.095 -7.190 0.125 188 HG LEU 26 HG LEU 26 -5.608 -6.578 2.201 189 1HD1 LEU 26 1HD1 LEU 26 -7.933 -6.590 2.390 190 2HD1 LEU 26 2HD1 LEU 26 -7.614 -6.748 0.651 191 3HD1 LEU 26 3HD1 LEU 26 -8.118 -8.159 1.618 192 1HD2 LEU 26 1HD2 LEU 26 -4.934 -8.621 3.399 193 2HD2 LEU 26 2HD2 LEU 26 -6.450 -7.904 3.976 194 3HD2 LEU 26 3HD2 LEU 26 -6.492 -9.376 2.966 195 H GLY 27 H GLY 27 -6.405 -7.639 -1.970 196 1HA GLY 27 2HA GLY 27 -8.073 -7.689 -3.557 197 2HA GLY 27 3HA GLY 27 -8.814 -9.078 -2.759 198 H GLY 28 H GLY 28 -9.513 -8.178 -0.307 199 1HA GLY 28 2HA GLY 28 -11.817 -6.497 -0.838 200 2HA GLY 28 3HA GLY 28 -11.301 -7.138 0.726 201 H VAL 29 H VAL 29 -9.720 -4.908 -1.599 202 HA VAL 29 HA VAL 29 -9.552 -2.729 0.425 203 HB VAL 29 HB VAL 29 -7.185 -2.382 -0.418 204 1HG1 VAL 29 1HG1 VAL 29 -6.350 -4.754 0.694 205 2HG1 VAL 29 2HG1 VAL 29 -6.827 -3.313 1.608 206 3HG1 VAL 29 3HG1 VAL 29 -7.985 -4.620 1.352 207 1HG2 VAL 29 1HG2 VAL 29 -7.429 -3.795 -2.515 208 2HG2 VAL 29 2HG2 VAL 29 -5.976 -4.099 -1.559 209 3HG2 VAL 29 3HG2 VAL 29 -7.343 -5.229 -1.472 210 H LYS 30 H LYS 30 -9.238 -0.613 -0.686 211 HA LYS 30 HA LYS 30 -8.434 -0.946 -3.414 212 1HB LYS 30 2HB LYS 30 -10.896 0.661 -2.789 213 2HB LYS 30 3HB LYS 30 -9.726 1.354 -3.906 214 1HG LYS 30 2HG LYS 30 -11.137 -1.308 -4.260 215 2HG LYS 30 3HG LYS 30 -11.453 0.200 -5.080 216 1HD LYS 30 2HD LYS 30 -10.216 -0.640 -6.735 217 2HD LYS 30 3HD LYS 30 -8.886 0.075 -5.852 218 1HE LYS 30 2HE LYS 30 -8.591 -2.264 -6.832 219 2HE LYS 30 3HE LYS 30 -8.060 -2.067 -5.177 220 1HZ LYS 30 1HZ LYS 30 -9.327 -4.086 -5.535 221 2HZ LYS 30 2HZ LYS 30 -10.010 -3.127 -4.407 222 3HZ LYS 30 3HZ LYS 30 -10.673 -3.215 -5.920 223 H TYR 31 H TYR 31 -7.252 0.932 -4.168 224 HA TYR 31 HA TYR 31 -6.039 2.455 -2.014 225 1HB TYR 31 2HB TYR 31 -3.781 1.441 -2.725 226 2HB TYR 31 3HB TYR 31 -4.815 0.475 -1.690 227 HD1 TYR 31 HD1 TYR 31 -5.846 -1.613 -2.439 228 HD2 TYR 31 HD2 TYR 31 -3.517 0.810 -5.103 229 HE1 TYR 31 HE1 TYR 31 -5.811 -3.471 -4.108 230 HE2 TYR 31 HE2 TYR 31 -3.512 -1.027 -6.780 231 HH TYR 31 HH TYR 31 -3.974 -3.272 -7.134 232 H ASP 32 H ASP 32 -5.365 4.345 -2.744 233 HA ASP 32 HA ASP 32 -5.220 4.798 -5.687 234 1HB ASP 32 2HB ASP 32 -6.567 6.453 -4.479 235 2HB ASP 32 3HB ASP 32 -5.216 6.781 -3.381 236 H ILE 33 H ILE 33 -3.242 5.868 -6.389 237 HA ILE 33 HA ILE 33 -0.782 4.870 -5.004 238 HB ILE 33 HB ILE 33 -2.011 4.025 -7.635 239 1HG1 ILE 33 2HG1 ILE 33 -0.441 2.235 -5.732 240 2HG1 ILE 33 3HG1 ILE 33 -2.102 2.688 -5.352 241 1HG2 ILE 33 1HG2 ILE 33 0.951 3.836 -6.993 242 2HG2 ILE 33 2HG2 ILE 33 0.108 3.069 -8.363 243 3HG2 ILE 33 3HG2 ILE 33 0.208 4.808 -8.284 244 1HD1 ILE 33 1HD1 ILE 33 -1.421 1.487 -8.061 245 2HD1 ILE 33 2HD1 ILE 33 -1.812 0.521 -6.641 246 3HD1 ILE 33 3HD1 ILE 33 -3.011 1.666 -7.284 247 H ASP 34 H ASP 34 0.492 6.635 -4.940 248 HA ASP 34 HA ASP 34 0.553 8.446 -7.325 249 1HB ASP 34 2HB ASP 34 -0.209 9.577 -5.257 250 2HB ASP 34 3HB ASP 34 1.334 9.151 -4.491 251 H LEU 35 H LEU 35 2.214 7.918 -8.515 252 HA LEU 35 HA LEU 35 4.525 6.458 -7.515 253 1HB LEU 35 2HB LEU 35 3.530 7.399 -10.181 254 2HB LEU 35 3HB LEU 35 5.264 7.168 -9.991 255 HG LEU 35 HG LEU 35 3.348 5.006 -9.061 256 1HD1 LEU 35 1HD1 LEU 35 4.300 5.310 -11.937 257 2HD1 LEU 35 2HD1 LEU 35 3.372 3.953 -11.260 258 3HD1 LEU 35 3HD1 LEU 35 2.633 5.556 -11.365 259 1HD2 LEU 35 1HD2 LEU 35 6.120 4.825 -10.348 260 2HD2 LEU 35 2HD2 LEU 35 5.844 4.843 -8.602 261 3HD2 LEU 35 3HD2 LEU 35 5.226 3.503 -9.584 262 HA PRO 36 HA PRO 36 7.011 10.373 -8.579 263 1HB PRO 36 2HB PRO 36 5.714 12.846 -8.572 264 2HB PRO 36 3HB PRO 36 6.132 11.885 -10.018 265 1HG PRO 36 2HG PRO 36 3.499 11.962 -8.535 266 2HG PRO 36 3HG PRO 36 3.767 12.049 -10.299 267 1HD PRO 36 2HD PRO 36 3.046 9.749 -9.153 268 2HD PRO 36 3HD PRO 36 4.323 9.723 -10.400 269 H ASN 37 H ASN 37 4.201 10.714 -6.400 270 HA ASN 37 HA ASN 37 5.960 11.985 -4.332 271 1HB ASN 37 2HB ASN 37 2.974 11.490 -4.204 272 2HB ASN 37 3HB ASN 37 3.963 12.288 -3.006 273 1HD2 ASN 37 1HD2 ASN 37 2.047 12.911 -5.759 274 2HD2 ASN 37 2HD2 ASN 37 2.626 14.552 -6.040 275 H LYS 38 H LYS 38 5.343 8.858 -5.318 276 HA LYS 38 HA LYS 38 5.822 6.868 -4.397 277 1HB LYS 38 2HB LYS 38 7.489 8.609 -2.510 278 2HB LYS 38 3HB LYS 38 7.752 6.915 -2.872 279 1HG LYS 38 2HG LYS 38 7.727 7.811 -5.394 280 2HG LYS 38 3HG LYS 38 8.270 9.300 -4.620 281 1HD LYS 38 2HD LYS 38 9.475 6.501 -4.422 282 2HD LYS 38 3HD LYS 38 10.082 7.791 -5.464 283 1HE LYS 38 2HE LYS 38 10.671 9.134 -3.462 284 2HE LYS 38 3HE LYS 38 10.027 7.863 -2.404 285 1HZ LYS 38 1HZ LYS 38 11.699 6.358 -3.213 286 2HZ LYS 38 2HZ LYS 38 12.271 7.451 -4.285 287 3HZ LYS 38 3HZ LYS 38 12.419 7.679 -2.656 288 H LYS 39 H LYS 39 3.323 7.282 -3.709 289 HA LYS 39 HA LYS 39 3.084 6.495 -0.849 290 1HB LYS 39 2HB LYS 39 1.847 8.877 -2.256 291 2HB LYS 39 3HB LYS 39 1.076 8.150 -0.863 292 1HG LYS 39 2HG LYS 39 2.905 8.682 0.574 293 2HG LYS 39 3HG LYS 39 3.939 9.168 -0.773 294 1HD LYS 39 2HD LYS 39 2.475 11.005 -1.376 295 2HD LYS 39 3HD LYS 39 1.275 10.542 -0.163 296 1HE LYS 39 2HE LYS 39 4.134 11.374 0.535 297 2HE LYS 39 3HE LYS 39 2.788 12.520 0.403 298 1HZ LYS 39 1HZ LYS 39 3.022 11.831 2.694 299 2HZ LYS 39 2HZ LYS 39 1.608 11.196 2.099 300 3HZ LYS 39 3HZ LYS 39 2.832 10.236 2.287 301 H VAL 40 H VAL 40 1.262 5.309 -0.335 302 HA VAL 40 HA VAL 40 -0.653 4.675 -2.503 303 HB VAL 40 HB VAL 40 0.481 2.750 -0.419 304 1HG1 VAL 40 1HG1 VAL 40 -0.753 1.052 -1.698 305 2HG1 VAL 40 2HG1 VAL 40 -1.861 2.319 -1.139 306 3HG1 VAL 40 3HG1 VAL 40 -1.330 2.298 -2.832 307 1HG2 VAL 40 1HG2 VAL 40 2.209 3.235 -2.071 308 2HG2 VAL 40 2HG2 VAL 40 1.545 1.628 -2.357 309 3HG2 VAL 40 3HG2 VAL 40 1.040 2.979 -3.398 310 H CYS 41 H CYS 41 -2.677 5.249 -1.806 311 HA CYS 41 HA CYS 41 -3.192 5.631 1.150 312 1HB CYS 41 2HB CYS 41 -4.432 6.887 -1.319 313 2HB CYS 41 3HB CYS 41 -5.121 7.026 0.307 314 HG CYS 41 HG CYS 41 -3.878 9.231 -0.445 315 H ILE 42 H ILE 42 -3.950 3.732 1.888 316 HA ILE 42 HA ILE 42 -5.675 2.217 0.055 317 HB ILE 42 HB ILE 42 -4.613 1.241 2.718 318 1HG1 ILE 42 2HG1 ILE 42 -3.266 0.916 0.015 319 2HG1 ILE 42 3HG1 ILE 42 -2.704 1.936 1.364 320 1HG2 ILE 42 1HG2 ILE 42 -6.474 -0.054 1.815 321 2HG2 ILE 42 2HG2 ILE 42 -5.753 -0.085 0.205 322 3HG2 ILE 42 3HG2 ILE 42 -5.033 -1.014 1.497 323 1HD1 ILE 42 1HD1 ILE 42 -1.430 -0.046 1.262 324 2HD1 ILE 42 2HD1 ILE 42 -2.288 0.073 2.785 325 3HD1 ILE 42 3HD1 ILE 42 -2.837 -1.065 1.533 326 H GLU 43 H GLU 43 -7.863 1.879 0.510 327 HA GLU 43 HA GLU 43 -8.801 2.504 3.253 328 1HB GLU 43 2HB GLU 43 -9.521 4.286 1.684 329 2HB GLU 43 3HB GLU 43 -10.431 3.087 0.750 330 1HG GLU 43 2HG GLU 43 -11.911 2.645 2.597 331 2HG GLU 43 3HG GLU 43 -10.843 3.441 3.757 332 H SER 44 H SER 44 -9.730 0.792 4.211 333 HA SER 44 HA SER 44 -10.976 -1.327 2.660 334 1HB SER 44 2HB SER 44 -8.531 -1.904 2.440 335 2HB SER 44 3HB SER 44 -8.416 -1.897 4.213 336 HG SER 44 HG SER 44 -9.943 -3.670 2.580 337 H GLU 45 H GLU 45 -12.203 -2.675 4.002 338 HA GLU 45 HA GLU 45 -12.714 -1.856 6.734 339 1HB GLU 45 2HB GLU 45 -14.379 -2.956 5.183 340 2HB GLU 45 3HB GLU 45 -13.451 -4.461 5.308 341 1HG GLU 45 2HG GLU 45 -13.895 -4.522 7.742 342 2HG GLU 45 3HG GLU 45 -14.731 -2.962 7.640 343 H HIS 46 H HIS 46 -10.403 -3.978 5.056 344 HA HIS 46 HA HIS 46 -9.717 -5.613 7.358 345 1HB HIS 46 2HB HIS 46 -8.152 -4.961 4.829 346 2HB HIS 46 3HB HIS 46 -7.667 -6.102 6.067 347 HD1 HIS 46 1HD HIS 46 -8.175 -8.505 5.426 348 HD2 HIS 46 2HD HIS 46 -10.728 -5.689 3.642 349 HE1 HIS 46 1HE HIS 46 -9.507 -9.745 3.657 350 H SER 47 H SER 47 -8.635 -4.897 9.098 351 HA SER 47 HA SER 47 -7.992 -2.211 9.447 352 1HB SER 47 2HB SER 47 -8.480 -3.874 11.262 353 2HB SER 47 3HB SER 47 -6.810 -4.470 11.095 354 HG SER 47 HG SER 47 -6.210 -2.808 12.230 355 H MET 48 H MET 48 -6.091 -1.169 9.969 356 HA MET 48 HA MET 48 -4.163 -1.008 8.007 357 1HB MET 48 2HB MET 48 -3.038 0.516 9.450 358 2HB MET 48 3HB MET 48 -4.776 0.661 9.752 359 1HG MET 48 2HG MET 48 -4.369 -1.065 11.638 360 2HG MET 48 3HG MET 48 -2.673 -0.553 11.497 361 1HE MET 48 1HE MET 48 -3.815 1.142 14.796 362 2HE MET 48 2HE MET 48 -4.206 -0.484 14.180 363 3HE MET 48 3HE MET 48 -2.563 0.172 13.984 364 H ASP 49 H ASP 49 -4.203 -3.072 10.873 365 HA ASP 49 HA ASP 49 -1.495 -3.896 10.924 366 1HB ASP 49 2HB ASP 49 -3.844 -5.632 11.768 367 2HB ASP 49 3HB ASP 49 -2.243 -5.497 12.499 368 H THR 50 H THR 50 -4.402 -5.164 9.329 369 HA THR 50 HA THR 50 -3.157 -7.583 8.287 370 HB THR 50 HB THR 50 -5.757 -6.181 7.518 371 HG1 THR 50 1HG THR 50 -5.381 -6.959 9.790 372 1HG2 THR 50 1HG2 THR 50 -4.808 -9.059 7.150 373 2HG2 THR 50 2HG2 THR 50 -6.422 -8.438 6.754 374 3HG2 THR 50 3HG2 THR 50 -5.004 -7.859 5.852 375 H LEU 51 H LEU 51 -4.079 -4.317 7.092 376 HA LEU 51 HA LEU 51 -3.057 -4.577 4.446 377 1HB LEU 51 2HB LEU 51 -2.955 -2.133 6.279 378 2HB LEU 51 3HB LEU 51 -2.551 -2.176 4.576 379 HG LEU 51 HG LEU 51 -5.239 -2.284 5.938 380 1HD1 LEU 51 1HD1 LEU 51 -4.081 -1.036 3.414 381 2HD1 LEU 51 2HD1 LEU 51 -5.701 -0.687 4.064 382 3HD1 LEU 51 3HD1 LEU 51 -4.240 -0.216 4.964 383 1HD2 LEU 51 1HD2 LEU 51 -6.340 -3.053 3.874 384 2HD2 LEU 51 2HD2 LEU 51 -4.765 -3.466 3.162 385 3HD2 LEU 51 3HD2 LEU 51 -5.380 -4.341 4.589 386 H LEU 52 H LEU 52 -1.361 -3.432 7.402 387 HA LEU 52 HA LEU 52 1.156 -3.022 6.411 388 1HB LEU 52 2HB LEU 52 0.056 -3.777 9.011 389 2HB LEU 52 3HB LEU 52 1.751 -4.209 8.756 390 HG LEU 52 HG LEU 52 0.740 -1.428 8.096 391 1HD1 LEU 52 1HD1 LEU 52 1.294 -0.717 10.352 392 2HD1 LEU 52 2HD1 LEU 52 -0.095 -1.817 10.255 393 3HD1 LEU 52 3HD1 LEU 52 1.481 -2.433 10.824 394 1HD2 LEU 52 1HD2 LEU 52 3.075 -0.818 8.625 395 2HD2 LEU 52 2HD2 LEU 52 3.415 -2.472 9.171 396 3HD2 LEU 52 3HD2 LEU 52 3.089 -2.158 7.456 397 H ALA 53 H ALA 53 0.010 -6.088 7.891 398 HA ALA 53 HA ALA 53 2.253 -7.666 7.333 399 1HB ALA 53 1HB ALA 53 0.726 -9.590 7.633 400 2HB ALA 53 2HB ALA 53 0.400 -8.327 8.838 401 3HB ALA 53 3HB ALA 53 -0.681 -8.520 7.442 402 H THR 54 H THR 54 -0.600 -7.035 5.208 403 HA THR 54 HA THR 54 0.234 -8.782 3.133 404 HB THR 54 HB THR 54 -1.440 -6.238 2.962 405 HG1 THR 54 1HG THR 54 -2.325 -7.646 4.467 406 1HG2 THR 54 1HG2 THR 54 -2.394 -7.229 1.022 407 2HG2 THR 54 2HG2 THR 54 -0.648 -7.218 0.789 408 3HG2 THR 54 3HG2 THR 54 -1.463 -8.732 1.243 409 H LEU 55 H LEU 55 0.758 -5.268 3.695 410 HA LEU 55 HA LEU 55 1.803 -4.835 1.049 411 1HB LEU 55 2HB LEU 55 1.028 -3.285 3.388 412 2HB LEU 55 3HB LEU 55 2.548 -2.683 2.694 413 HG LEU 55 HG LEU 55 -0.240 -2.691 1.569 414 1HD1 LEU 55 1HD1 LEU 55 0.247 -0.822 2.916 415 2HD1 LEU 55 2HD1 LEU 55 1.923 -0.677 2.346 416 3HD1 LEU 55 3HD1 LEU 55 0.629 -0.207 1.287 417 1HD2 LEU 55 1HD2 LEU 55 0.683 -1.614 -0.436 418 2HD2 LEU 55 2HD2 LEU 55 2.322 -2.158 0.019 419 3HD2 LEU 55 3HD2 LEU 55 1.029 -3.337 -0.358 420 H LYS 56 H LYS 56 3.230 -5.309 4.260 421 HA LYS 56 HA LYS 56 5.944 -4.847 3.855 422 1HB LYS 56 2HB LYS 56 4.233 -6.567 5.570 423 2HB LYS 56 3HB LYS 56 5.786 -7.274 5.250 424 1HG LYS 56 2HG LYS 56 5.784 -6.065 7.280 425 2HG LYS 56 3HG LYS 56 6.981 -5.395 6.180 426 1HD LYS 56 2HD LYS 56 4.219 -4.147 6.619 427 2HD LYS 56 3HD LYS 56 5.588 -3.848 7.693 428 1HE LYS 56 2HE LYS 56 6.883 -3.159 5.516 429 2HE LYS 56 3HE LYS 56 5.262 -2.975 4.809 430 1HZ LYS 56 1HZ LYS 56 6.234 -1.590 7.220 431 2HZ LYS 56 2HZ LYS 56 6.162 -0.941 5.725 432 3HZ LYS 56 3HZ LYS 56 4.773 -1.359 6.490 433 H LYS 57 H LYS 57 4.026 -7.530 2.444 434 HA LYS 57 HA LYS 57 6.336 -9.129 1.921 435 1HB LYS 57 2HB LYS 57 3.603 -9.209 0.620 436 2HB LYS 57 3HB LYS 57 4.854 -10.462 0.499 437 1HG LYS 57 2HG LYS 57 4.868 -10.652 3.009 438 2HG LYS 57 3HG LYS 57 3.510 -9.529 3.082 439 1HD LYS 57 2HD LYS 57 3.532 -12.292 1.799 440 2HD LYS 57 3HD LYS 57 2.736 -11.787 3.303 441 1HE LYS 57 2HE LYS 57 1.492 -10.037 1.780 442 2HE LYS 57 3HE LYS 57 2.019 -11.045 0.432 443 1HZ LYS 57 1HZ LYS 57 0.376 -11.916 2.722 444 2HZ LYS 57 2HZ LYS 57 -0.164 -11.635 1.198 445 3HZ LYS 57 3HZ LYS 57 0.863 -12.892 1.487 446 H THR 58 H THR 58 5.126 -6.296 0.118 447 HA THR 58 HA THR 58 6.490 -6.816 -2.307 448 HB THR 58 HB THR 58 6.392 -4.036 -1.178 449 HG1 THR 58 1HG THR 58 4.451 -4.508 -0.413 450 1HG2 THR 58 1HG2 THR 58 5.517 -3.639 -3.438 451 2HG2 THR 58 2HG2 THR 58 6.924 -4.720 -3.581 452 3HG2 THR 58 3HG2 THR 58 5.269 -5.385 -3.653 453 H GLY 59 H GLY 59 7.653 -5.994 0.909 454 1HA GLY 59 2HA GLY 59 9.749 -5.802 1.723 455 2HA GLY 59 3HA GLY 59 10.255 -6.827 0.365 456 H LYS 60 H LYS 60 8.923 -3.529 0.424 457 HA LYS 60 HA LYS 60 11.383 -2.402 -0.850 458 1HB LYS 60 2HB LYS 60 8.613 -1.159 -0.704 459 2HB LYS 60 3HB LYS 60 9.962 -0.663 -1.709 460 1HG LYS 60 2HG LYS 60 8.289 -3.197 -1.995 461 2HG LYS 60 3HG LYS 60 8.162 -1.764 -3.001 462 1HD LYS 60 2HD LYS 60 10.591 -3.611 -2.829 463 2HD LYS 60 3HD LYS 60 9.324 -3.676 -4.052 464 1HE LYS 60 2HE LYS 60 9.852 -1.227 -4.635 465 2HE LYS 60 3HE LYS 60 11.230 -1.311 -3.529 466 1HZ LYS 60 1HZ LYS 60 12.158 -3.024 -4.924 467 2HZ LYS 60 2HZ LYS 60 10.862 -2.946 -5.946 468 3HZ LYS 60 3HZ LYS 60 11.855 -1.653 -5.787 469 H THR 61 H THR 61 11.637 0.025 0.007 470 HA THR 61 HA THR 61 11.291 0.230 2.858 471 HB THR 61 HB THR 61 11.734 2.749 1.618 472 HG1 THR 61 1HG THR 61 13.129 2.317 -0.008 473 1HG2 THR 61 1HG2 THR 61 13.998 2.495 2.533 474 2HG2 THR 61 2HG2 THR 61 12.775 1.972 3.707 475 3HG2 THR 61 3HG2 THR 61 13.711 0.762 2.793 476 H VAL 62 H VAL 62 9.065 -0.512 2.669 477 HA VAL 62 HA VAL 62 7.054 1.572 1.984 478 HB VAL 62 HB VAL 62 6.358 -0.344 1.037 479 1HG1 VAL 62 1HG1 VAL 62 7.683 -2.109 1.830 480 2HG1 VAL 62 2HG1 VAL 62 7.178 -1.871 3.516 481 3HG1 VAL 62 3HG1 VAL 62 6.045 -2.533 2.316 482 1HG2 VAL 62 1HG2 VAL 62 4.279 -0.849 2.026 483 2HG2 VAL 62 2HG2 VAL 62 4.855 -0.517 3.667 484 3HG2 VAL 62 3HG2 VAL 62 4.642 0.816 2.520 485 H SER 63 H SER 63 7.009 3.066 3.431 486 HA SER 63 HA SER 63 7.043 2.526 6.330 487 1HB SER 63 2HB SER 63 8.175 4.556 5.352 488 2HB SER 63 3HB SER 63 6.579 5.124 4.836 489 HG SER 63 HG SER 63 7.604 4.809 7.448 490 H TYR 64 H TYR 64 5.173 4.049 7.343 491 HA TYR 64 HA TYR 64 2.499 3.268 6.349 492 1HB TYR 64 2HB TYR 64 3.016 1.212 7.344 493 2HB TYR 64 3HB TYR 64 4.012 1.946 8.595 494 HD1 TYR 64 HD1 TYR 64 3.190 2.216 10.750 495 HD2 TYR 64 HD2 TYR 64 0.408 1.971 7.467 496 HE1 TYR 64 HE1 TYR 64 1.299 2.409 12.331 497 HE2 TYR 64 HE2 TYR 64 -1.470 2.145 9.050 498 HH TYR 64 HH TYR 64 -2.100 2.400 11.285 499 H LEU 65 H LEU 65 1.102 4.876 6.956 500 HA LEU 65 HA LEU 65 2.010 6.855 8.998 501 1HB LEU 65 2HB LEU 65 0.252 7.203 6.597 502 2HB LEU 65 3HB LEU 65 0.519 8.388 7.863 503 HG LEU 65 HG LEU 65 3.093 7.976 7.405 504 1HD1 LEU 65 1HD1 LEU 65 1.849 7.136 4.756 505 2HD1 LEU 65 2HD1 LEU 65 3.521 7.677 4.971 506 3HD1 LEU 65 3HD1 LEU 65 2.970 6.207 5.773 507 1HD2 LEU 65 1HD2 LEU 65 3.024 9.866 5.840 508 2HD2 LEU 65 2HD2 LEU 65 1.271 9.623 5.634 509 3HD2 LEU 65 3HD2 LEU 65 1.937 10.060 7.230 510 H GLY 66 H GLY 66 -0.092 8.033 9.890 511 1HA GLY 66 2HA GLY 66 -1.480 6.154 11.505 512 2HA GLY 66 3HA GLY 66 -1.845 7.880 11.345 513 H LEU 67 H LEU 67 -3.862 6.093 11.744 514 HA LEU 67 HA LEU 67 -5.214 5.409 9.266 515 1HB LEU 67 2HB LEU 67 -5.313 4.048 11.310 516 2HB LEU 67 3HB LEU 67 -6.064 5.366 12.208 517 HG LEU 67 HG LEU 67 -7.388 4.386 9.684 518 1HD1 LEU 67 1HD1 LEU 67 -8.541 2.596 10.937 519 2HD1 LEU 67 2HD1 LEU 67 -6.796 2.308 10.920 520 3HD1 LEU 67 3HD1 LEU 67 -7.566 2.960 12.378 521 1HD2 LEU 67 1HD2 LEU 67 -8.496 5.271 12.398 522 2HD2 LEU 67 2HD2 LEU 67 -8.436 6.292 10.955 523 3HD2 LEU 67 3HD2 LEU 67 -9.459 4.858 10.968 524 H GLU 68 H GLU 68 -7.042 6.517 8.443 525 HA GLU 68 HA GLU 68 -8.028 8.951 9.765 526 1HB GLU 68 2HB GLU 68 -7.154 8.775 6.859 527 2HB GLU 68 3HB GLU 68 -8.071 10.111 7.586 528 1HG GLU 68 2HG GLU 68 -6.120 10.562 9.096 529 2HG GLU 68 3HG GLU 68 -5.200 9.311 8.245 Start of MODEL 16 1 1H MET 1 H1 MET 1 -12.928 5.988 3.349 2 2H MET 1 H2 MET 1 -14.391 6.282 4.078 3 3H MET 1 H3 MET 1 -12.957 7.000 4.587 4 HA MET 1 HA MET 1 -13.883 4.969 5.903 5 1HB MET 1 2HB MET 1 -11.957 3.923 3.767 6 2HB MET 1 3HB MET 1 -12.506 2.980 5.116 7 1HG MET 1 2HG MET 1 -14.905 3.848 3.907 8 2HG MET 1 3HG MET 1 -13.810 3.512 2.566 9 1HE MET 1 1HE MET 1 -15.387 0.498 5.676 10 2HE MET 1 2HE MET 1 -14.179 1.706 6.147 11 3HE MET 1 3HE MET 1 -15.795 2.219 5.597 12 HA PRO 2 HA PRO 2 -9.934 6.206 7.913 13 1HB PRO 2 2HB PRO 2 -8.768 3.772 8.587 14 2HB PRO 2 3HB PRO 2 -9.967 4.635 9.599 15 1HG PRO 2 2HG PRO 2 -10.403 2.372 7.628 16 2HG PRO 2 3HG PRO 2 -11.081 2.533 9.276 17 1HD PRO 2 2HD PRO 2 -12.595 3.172 7.181 18 2HD PRO 2 3HD PRO 2 -12.570 4.263 8.565 19 H LYS 3 H LYS 3 -8.414 6.972 6.428 20 HA LYS 3 HA LYS 3 -7.794 5.284 4.075 21 1HB LYS 3 2HB LYS 3 -8.497 7.638 3.838 22 2HB LYS 3 3HB LYS 3 -7.129 8.122 4.816 23 1HG LYS 3 2HG LYS 3 -5.745 6.794 2.902 24 2HG LYS 3 3HG LYS 3 -7.233 7.135 2.003 25 1HD LYS 3 2HD LYS 3 -6.053 9.053 1.529 26 2HD LYS 3 3HD LYS 3 -6.912 9.598 2.969 27 1HE LYS 3 2HE LYS 3 -4.027 8.568 2.804 28 2HE LYS 3 3HE LYS 3 -4.520 10.245 3.012 29 1HZ LYS 3 1HZ LYS 3 -5.401 9.627 5.195 30 2HZ LYS 3 2HZ LYS 3 -4.894 8.081 5.000 31 3HZ LYS 3 3HZ LYS 3 -3.769 9.311 4.973 32 H HIS 4 H HIS 4 -6.570 3.691 4.965 33 HA HIS 4 HA HIS 4 -4.391 4.121 6.851 34 1HB HIS 4 2HB HIS 4 -5.229 1.741 5.129 35 2HB HIS 4 3HB HIS 4 -3.931 1.707 6.327 36 HD1 HIS 4 1HD HIS 4 -6.073 3.567 8.311 37 HD2 HIS 4 2HD HIS 4 -6.192 -0.338 6.753 38 HE1 HIS 4 1HE HIS 4 -7.439 2.157 9.954 39 H GLU 5 H GLU 5 -2.776 5.328 6.117 40 HA GLU 5 HA GLU 5 -2.063 5.295 3.271 41 1HB GLU 5 2HB GLU 5 -2.769 7.291 4.516 42 2HB GLU 5 3HB GLU 5 -1.381 7.168 5.583 43 1HG GLU 5 2HG GLU 5 0.123 7.600 3.662 44 2HG GLU 5 3HG GLU 5 -1.268 7.605 2.563 45 H PHE 6 H PHE 6 0.015 4.831 2.548 46 HA PHE 6 HA PHE 6 2.094 4.156 4.548 47 1HB PHE 6 2HB PHE 6 1.395 2.419 2.141 48 2HB PHE 6 3HB PHE 6 2.760 2.161 3.223 49 HD1 PHE 6 1HD PHE 6 2.479 0.607 5.035 50 HD2 PHE 6 2HD PHE 6 -0.988 2.408 3.204 51 HE1 PHE 6 1HE PHE 6 0.999 -0.807 6.399 52 HE2 PHE 6 2HE PHE 6 -2.449 1.084 4.670 53 HZ PHE 6 HZ PHE 6 -1.472 -0.514 6.296 54 H SER 7 H SER 7 4.101 4.719 3.861 55 HA SER 7 HA SER 7 4.357 5.976 1.161 56 1HB SER 7 2HB SER 7 5.036 7.474 2.959 57 2HB SER 7 3HB SER 7 6.187 6.270 3.562 58 HG SER 7 HG SER 7 6.223 7.229 0.865 59 H VAL 8 H VAL 8 6.017 5.214 -0.132 60 HA VAL 8 HA VAL 8 7.186 2.572 0.428 61 HB VAL 8 HB VAL 8 6.012 3.113 -2.280 62 1HG1 VAL 8 1HG1 VAL 8 5.831 0.730 -2.428 63 2HG1 VAL 8 2HG1 VAL 8 7.404 0.985 -1.681 64 3HG1 VAL 8 3HG1 VAL 8 6.022 0.527 -0.684 65 1HG2 VAL 8 1HG2 VAL 8 3.919 1.925 -1.657 66 2HG2 VAL 8 2HG2 VAL 8 4.317 2.149 0.055 67 3HG2 VAL 8 3HG2 VAL 8 4.025 3.560 -0.989 68 H ASP 9 H ASP 9 8.715 2.270 -1.598 69 HA ASP 9 HA ASP 9 9.627 4.855 -2.717 70 1HB ASP 9 2HB ASP 9 11.637 3.564 -2.250 71 2HB ASP 9 3HB ASP 9 10.923 2.111 -3.000 72 H MET 10 H MET 10 9.402 4.910 -4.943 73 HA MET 10 HA MET 10 8.359 2.732 -6.383 74 1HB MET 10 2HB MET 10 6.589 5.206 -6.591 75 2HB MET 10 3HB MET 10 6.466 3.687 -7.499 76 1HG MET 10 2HG MET 10 5.891 2.477 -5.448 77 2HG MET 10 3HG MET 10 6.009 3.988 -4.520 78 1HE MET 10 1HE MET 10 2.182 3.241 -4.492 79 2HE MET 10 2HE MET 10 3.514 2.066 -4.403 80 3HE MET 10 3HE MET 10 3.610 3.600 -3.496 81 H THR 11 H THR 11 10.669 3.189 -6.870 82 HA THR 11 HA THR 11 11.355 5.500 -8.345 83 HB THR 11 HB THR 11 12.603 2.718 -8.364 84 HG1 THR 11 1HG THR 11 12.557 3.751 -6.338 85 1HG2 THR 11 1HG2 THR 11 14.705 3.953 -8.969 86 2HG2 THR 11 2HG2 THR 11 13.521 3.941 -10.282 87 3HG2 THR 11 3HG2 THR 11 13.728 5.401 -9.281 88 H CYS 12 HN CYS 12 9.484 2.716 -9.447 89 HA CYS 12 HA CYS 12 9.351 3.966 -12.098 90 1HB CYS 12 2HB CYS 12 9.749 1.931 -13.298 91 2HB CYS 12 3HB CYS 12 11.135 2.219 -12.253 92 H GLY 13 H GLY 13 7.452 3.257 -13.258 93 1HA GLY 13 2HA GLY 13 4.992 3.029 -11.973 94 2HA GLY 13 3HA GLY 13 5.366 2.369 -13.565 95 H GLY 14 H GLY 14 7.308 0.469 -12.880 96 1HA GLY 14 2HA GLY 14 5.684 -1.740 -12.338 97 2HA GLY 14 3HA GLY 14 7.468 -1.724 -12.357 98 H CYS 15 HN CYS 15 7.562 0.310 -10.089 99 HA CYS 15 HA CYS 15 7.508 -1.610 -7.951 100 1HB CYS 15 2HB CYS 15 7.965 1.361 -8.139 101 2HB CYS 15 3HB CYS 15 7.578 0.700 -6.572 102 H ALA 16 H ALA 16 5.268 0.828 -9.151 103 HA ALA 16 HA ALA 16 3.400 0.629 -6.942 104 1HB ALA 16 1HB ALA 16 2.943 1.675 -9.764 105 2HB ALA 16 2HB ALA 16 1.979 1.988 -8.315 106 3HB ALA 16 3HB ALA 16 3.637 2.613 -8.422 107 H GLU 17 H GLU 17 3.673 -0.714 -10.280 108 HA GLU 17 HA GLU 17 1.398 -2.299 -10.333 109 1HB GLU 17 2HB GLU 17 3.239 -1.979 -12.140 110 2HB GLU 17 3HB GLU 17 4.098 -3.290 -11.317 111 1HG GLU 17 2HG GLU 17 1.673 -4.477 -11.545 112 2HG GLU 17 3HG GLU 17 1.550 -3.308 -12.868 113 H ALA 18 H ALA 18 4.634 -3.203 -9.031 114 HA ALA 18 HA ALA 18 3.978 -5.779 -8.099 115 1HB ALA 18 1HB ALA 18 5.935 -3.775 -6.896 116 2HB ALA 18 2HB ALA 18 5.929 -5.525 -6.609 117 3HB ALA 18 3HB ALA 18 6.292 -4.893 -8.232 118 H VAL 19 H VAL 19 3.853 -2.645 -6.286 119 HA VAL 19 HA VAL 19 2.881 -3.692 -3.871 120 HB VAL 19 HB VAL 19 2.555 -1.022 -5.300 121 1HG1 VAL 19 1HG1 VAL 19 0.675 -1.113 -3.876 122 2HG1 VAL 19 2HG1 VAL 19 1.601 -2.018 -2.633 123 3HG1 VAL 19 3HG1 VAL 19 1.941 -0.283 -2.945 124 1HG2 VAL 19 1HG2 VAL 19 4.292 -0.243 -3.959 125 2HG2 VAL 19 2HG2 VAL 19 4.117 -1.531 -2.761 126 3HG2 VAL 19 3HG2 VAL 19 4.864 -1.877 -4.332 127 H SER 20 H SER 20 1.132 -2.497 -6.745 128 HA SER 20 HA SER 20 -1.472 -2.784 -5.769 129 1HB SER 20 2HB SER 20 -0.636 -1.672 -7.941 130 2HB SER 20 3HB SER 20 -0.622 -3.259 -8.684 131 HG SER 20 HG SER 20 -2.970 -2.470 -7.371 132 H ARG 21 H ARG 21 0.493 -5.042 -7.645 133 HA ARG 21 HA ARG 21 -1.254 -7.241 -7.660 134 1HB ARG 21 2HB ARG 21 0.374 -8.018 -8.873 135 2HB ARG 21 3HB ARG 21 1.436 -6.712 -8.405 136 1HG ARG 21 2HG ARG 21 2.422 -8.000 -6.622 137 2HG ARG 21 3HG ARG 21 1.228 -9.282 -6.808 138 1HD ARG 21 2HD ARG 21 3.255 -9.993 -7.870 139 2HD ARG 21 3HD ARG 21 2.079 -9.719 -9.141 140 HE ARG 21 HE ARG 21 4.538 -8.197 -8.500 141 1HH1 ARG 21 2HH2 ARG 21 1.625 -8.231 -10.624 142 2HH1 ARG 21 1HH2 ARG 21 2.421 -7.124 -11.753 143 1HH2 ARG 21 2HH1 ARG 21 5.428 -6.761 -10.167 144 2HH2 ARG 21 1HH1 ARG 21 4.351 -6.386 -11.513 145 H VAL 22 H VAL 22 1.052 -6.272 -5.094 146 HA VAL 22 HA VAL 22 0.667 -8.576 -3.443 147 HB VAL 22 HB VAL 22 2.149 -6.082 -3.444 148 1HG1 VAL 22 1HG1 VAL 22 2.270 -5.730 -0.978 149 2HG1 VAL 22 2HG1 VAL 22 0.778 -5.177 -1.719 150 3HG1 VAL 22 3HG1 VAL 22 0.818 -6.704 -0.784 151 1HG2 VAL 22 1HG2 VAL 22 2.486 -8.545 -1.748 152 2HG2 VAL 22 2HG2 VAL 22 3.144 -8.279 -3.389 153 3HG2 VAL 22 3HG2 VAL 22 3.673 -7.251 -2.044 154 H LEU 23 H LEU 23 -0.759 -5.328 -3.442 155 HA LEU 23 HA LEU 23 -2.529 -5.818 -1.194 156 1HB LEU 23 2HB LEU 23 -2.101 -3.664 -3.233 157 2HB LEU 23 3HB LEU 23 -3.673 -3.693 -2.521 158 HG LEU 23 HG LEU 23 -1.048 -3.658 -0.952 159 1HD1 LEU 23 1HD1 LEU 23 -1.564 -1.283 -0.587 160 2HD1 LEU 23 2HD1 LEU 23 -1.379 -1.599 -2.327 161 3HD1 LEU 23 3HD1 LEU 23 -3.004 -1.415 -1.617 162 1HD2 LEU 23 1HD2 LEU 23 -3.960 -3.207 -0.234 163 2HD2 LEU 23 2HD2 LEU 23 -2.933 -4.512 0.400 164 3HD2 LEU 23 3HD2 LEU 23 -2.620 -2.837 0.872 165 H ASN 24 H ASN 24 -2.975 -6.157 -4.764 166 HA ASN 24 HA ASN 24 -5.745 -6.785 -4.607 167 1HB ASN 24 2HB ASN 24 -4.576 -6.415 -6.741 168 2HB ASN 24 3HB ASN 24 -3.663 -7.911 -6.518 169 1HD2 ASN 24 1HD2 ASN 24 -6.866 -8.525 -5.295 170 2HD2 ASN 24 2HD2 ASN 24 -7.488 -9.140 -6.804 171 H LYS 25 H LYS 25 -2.805 -8.859 -4.300 172 HA LYS 25 HA LYS 25 -4.182 -11.250 -3.777 173 1HB LYS 25 2HB LYS 25 -1.440 -10.351 -3.709 174 2HB LYS 25 3HB LYS 25 -1.783 -11.195 -2.200 175 1HG LYS 25 2HG LYS 25 -2.750 -13.105 -3.578 176 2HG LYS 25 3HG LYS 25 -2.363 -12.184 -5.037 177 1HD LYS 25 2HD LYS 25 -0.677 -13.814 -4.804 178 2HD LYS 25 3HD LYS 25 0.068 -12.257 -4.399 179 1HE LYS 25 2HE LYS 25 -0.081 -12.774 -1.989 180 2HE LYS 25 3HE LYS 25 -1.027 -14.234 -2.325 181 1HZ LYS 25 1HZ LYS 25 1.776 -13.810 -3.122 182 2HZ LYS 25 2HZ LYS 25 1.251 -14.755 -1.882 183 3HZ LYS 25 3HZ LYS 25 0.883 -15.160 -3.429 184 H LEU 26 H LEU 26 -3.723 -8.555 -1.581 185 HA LEU 26 HA LEU 26 -4.418 -9.734 0.900 186 1HB LEU 26 2HB LEU 26 -3.840 -7.277 0.340 187 2HB LEU 26 3HB LEU 26 -5.531 -7.131 -0.168 188 HG LEU 26 HG LEU 26 -5.214 -6.109 1.887 189 1HD1 LEU 26 1HD1 LEU 26 -6.907 -8.535 2.438 190 2HD1 LEU 26 2HD1 LEU 26 -7.162 -6.841 2.902 191 3HD1 LEU 26 3HD1 LEU 26 -7.336 -7.327 1.199 192 1HD2 LEU 26 1HD2 LEU 26 -4.525 -8.799 3.103 193 2HD2 LEU 26 2HD2 LEU 26 -3.428 -7.415 2.842 194 3HD2 LEU 26 3HD2 LEU 26 -4.802 -7.249 3.941 195 H GLY 27 H GLY 27 -6.438 -8.724 -1.884 196 1HA GLY 27 2HA GLY 27 -8.100 -10.576 -2.299 197 2HA GLY 27 3HA GLY 27 -8.856 -10.085 -0.774 198 H GLY 28 H GLY 28 -9.907 -8.055 -0.635 199 1HA GLY 28 2HA GLY 28 -10.704 -6.854 -3.278 200 2HA GLY 28 3HA GLY 28 -11.814 -7.252 -1.965 201 H VAL 29 H VAL 29 -8.609 -5.787 -1.686 202 HA VAL 29 HA VAL 29 -9.547 -3.546 -0.118 203 HB VAL 29 HB VAL 29 -7.136 -2.656 -0.742 204 1HG1 VAL 29 1HG1 VAL 29 -6.096 -4.182 0.918 205 2HG1 VAL 29 2HG1 VAL 29 -7.612 -3.421 1.440 206 3HG1 VAL 29 3HG1 VAL 29 -7.603 -5.127 0.938 207 1HG2 VAL 29 1HG2 VAL 29 -6.746 -5.594 -1.372 208 2HG2 VAL 29 2HG2 VAL 29 -6.901 -4.367 -2.653 209 3HG2 VAL 29 3HG2 VAL 29 -5.574 -4.279 -1.477 210 H LYS 30 H LYS 30 -9.334 -1.269 -0.757 211 HA LYS 30 HA LYS 30 -9.111 -0.724 -3.622 212 1HB LYS 30 2HB LYS 30 -11.566 -0.756 -3.190 213 2HB LYS 30 3HB LYS 30 -11.347 0.391 -1.876 214 1HG LYS 30 2HG LYS 30 -12.177 1.468 -3.942 215 2HG LYS 30 3HG LYS 30 -10.682 2.151 -3.348 216 1HD LYS 30 2HD LYS 30 -10.793 1.945 -5.832 217 2HD LYS 30 3HD LYS 30 -9.372 1.233 -5.123 218 1HE LYS 30 2HE LYS 30 -10.296 -0.127 -6.952 219 2HE LYS 30 3HE LYS 30 -10.212 -1.034 -5.452 220 1HZ LYS 30 1HZ LYS 30 -12.655 0.213 -6.520 221 2HZ LYS 30 2HZ LYS 30 -12.291 -1.394 -6.533 222 3HZ LYS 30 3HZ LYS 30 -12.544 -0.625 -5.104 223 H TYR 31 H TYR 31 -7.745 0.920 -3.963 224 HA TYR 31 HA TYR 31 -6.938 2.622 -1.782 225 1HB TYR 31 2HB TYR 31 -4.609 1.678 -1.919 226 2HB TYR 31 3HB TYR 31 -5.788 0.528 -1.270 227 HD1 TYR 31 HD1 TYR 31 -3.260 0.992 -3.768 228 HD2 TYR 31 HD2 TYR 31 -6.713 -1.337 -2.683 229 HE1 TYR 31 HE1 TYR 31 -2.519 -0.825 -5.266 230 HE2 TYR 31 HE2 TYR 31 -6.115 -3.024 -4.384 231 HH TYR 31 HH TYR 31 -4.439 -3.770 -5.836 232 H ASP 32 H ASP 32 -5.500 4.255 -2.477 233 HA ASP 32 HA ASP 32 -5.336 4.638 -5.437 234 1HB ASP 32 2HB ASP 32 -6.658 6.393 -4.295 235 2HB ASP 32 3HB ASP 32 -5.276 6.750 -3.244 236 H ILE 33 H ILE 33 -3.309 5.703 -6.114 237 HA ILE 33 HA ILE 33 -0.921 4.514 -4.754 238 HB ILE 33 HB ILE 33 -2.155 4.019 -7.495 239 1HG1 ILE 33 2HG1 ILE 33 -1.261 1.920 -5.479 240 2HG1 ILE 33 3HG1 ILE 33 -2.891 2.616 -5.442 241 1HG2 ILE 33 1HG2 ILE 33 0.205 4.326 -7.855 242 2HG2 ILE 33 2HG2 ILE 33 0.602 3.226 -6.511 243 3HG2 ILE 33 3HG2 ILE 33 -0.186 2.613 -7.992 244 1HD1 ILE 33 1HD1 ILE 33 -3.265 0.735 -6.747 245 2HD1 ILE 33 2HD1 ILE 33 -3.156 2.031 -7.910 246 3HD1 ILE 33 3HD1 ILE 33 -1.766 0.943 -7.677 247 H ASP 34 H ASP 34 0.479 6.276 -4.642 248 HA ASP 34 HA ASP 34 0.402 8.265 -6.899 249 1HB ASP 34 2HB ASP 34 -0.282 9.133 -4.686 250 2HB ASP 34 3HB ASP 34 1.335 8.737 -4.069 251 H LEU 35 H LEU 35 2.039 8.051 -8.241 252 HA LEU 35 HA LEU 35 4.403 6.508 -7.588 253 1HB LEU 35 2HB LEU 35 3.226 7.766 -10.031 254 2HB LEU 35 3HB LEU 35 4.987 7.694 -9.967 255 HG LEU 35 HG LEU 35 3.859 5.840 -11.190 256 1HD1 LEU 35 1HD1 LEU 35 5.689 5.202 -8.879 257 2HD1 LEU 35 2HD1 LEU 35 5.156 3.929 -9.987 258 3HD1 LEU 35 3HD1 LEU 35 6.067 5.318 -10.598 259 1HD2 LEU 35 1HD2 LEU 35 2.713 4.079 -10.068 260 2HD2 LEU 35 2HD2 LEU 35 2.937 4.850 -8.479 261 3HD2 LEU 35 3HD2 LEU 35 1.895 5.607 -9.703 262 HA PRO 36 HA PRO 36 6.681 10.896 -8.057 263 1HB PRO 36 2HB PRO 36 4.121 12.318 -7.174 264 2HB PRO 36 3HB PRO 36 5.565 13.055 -7.902 265 1HG PRO 36 2HG PRO 36 3.448 12.405 -9.463 266 2HG PRO 36 3HG PRO 36 5.071 11.880 -10.009 267 1HD PRO 36 2HD PRO 36 2.936 10.248 -8.623 268 2HD PRO 36 3HD PRO 36 4.013 9.824 -9.985 269 H ASN 37 H ASN 37 3.964 10.517 -5.770 270 HA ASN 37 HA ASN 37 5.577 11.589 -3.590 271 1HB ASN 37 2HB ASN 37 2.899 11.611 -4.009 272 2HB ASN 37 3HB ASN 37 3.000 10.246 -2.887 273 1HD2 ASN 37 1HD2 ASN 37 4.066 13.583 -3.541 274 2HD2 ASN 37 2HD2 ASN 37 4.109 14.138 -1.885 275 H LYS 38 H LYS 38 4.648 8.395 -4.765 276 HA LYS 38 HA LYS 38 5.395 6.375 -4.403 277 1HB LYS 38 2HB LYS 38 7.452 7.572 -2.547 278 2HB LYS 38 3HB LYS 38 7.447 5.953 -3.242 279 1HG LYS 38 2HG LYS 38 7.832 6.734 -5.447 280 2HG LYS 38 3HG LYS 38 7.435 8.381 -5.064 281 1HD LYS 38 2HD LYS 38 9.922 6.929 -4.101 282 2HD LYS 38 3HD LYS 38 9.813 8.090 -5.416 283 1HE LYS 38 2HE LYS 38 9.700 8.551 -2.443 284 2HE LYS 38 3HE LYS 38 10.619 9.403 -3.688 285 1HZ LYS 38 1HZ LYS 38 8.921 10.840 -2.993 286 2HZ LYS 38 2HZ LYS 38 8.309 10.273 -4.415 287 3HZ LYS 38 3HZ LYS 38 7.782 9.673 -2.980 288 H LYS 39 H LYS 39 3.169 6.469 -3.522 289 HA LYS 39 HA LYS 39 3.102 5.712 -0.691 290 1HB LYS 39 2HB LYS 39 1.881 8.231 -1.916 291 2HB LYS 39 3HB LYS 39 0.986 7.387 -0.669 292 1HG LYS 39 2HG LYS 39 2.927 7.608 0.876 293 2HG LYS 39 3HG LYS 39 3.725 8.644 -0.340 294 1HD LYS 39 2HD LYS 39 1.706 10.138 -0.284 295 2HD LYS 39 3HD LYS 39 0.960 9.070 0.921 296 1HE LYS 39 2HE LYS 39 2.824 9.523 2.499 297 2HE LYS 39 3HE LYS 39 3.545 10.643 1.322 298 1HZ LYS 39 1HZ LYS 39 2.202 11.785 2.964 299 2HZ LYS 39 2HZ LYS 39 1.499 11.943 1.478 300 3HZ LYS 39 3HZ LYS 39 0.892 10.885 2.590 301 H VAL 40 H VAL 40 1.087 4.788 -0.059 302 HA VAL 40 HA VAL 40 -0.858 4.263 -2.193 303 HB VAL 40 HB VAL 40 -0.259 2.299 0.058 304 1HG1 VAL 40 1HG1 VAL 40 -1.479 0.789 -1.525 305 2HG1 VAL 40 2HG1 VAL 40 -2.455 2.192 -1.041 306 3HG1 VAL 40 3HG1 VAL 40 -1.666 2.156 -2.635 307 1HG2 VAL 40 1HG2 VAL 40 1.785 2.394 -1.320 308 2HG2 VAL 40 2HG2 VAL 40 0.900 0.880 -1.485 309 3HG2 VAL 40 3HG2 VAL 40 0.806 2.104 -2.783 310 H CYS 41 H CYS 41 -2.960 4.563 -1.447 311 HA CYS 41 HA CYS 41 -3.454 5.195 1.455 312 1HB CYS 41 2HB CYS 41 -4.554 6.495 -1.089 313 2HB CYS 41 3HB CYS 41 -5.236 6.738 0.523 314 HG CYS 41 HG CYS 41 -2.142 7.313 -0.447 315 H ILE 42 H ILE 42 -4.225 3.216 2.085 316 HA ILE 42 HA ILE 42 -6.178 1.964 0.291 317 HB ILE 42 HB ILE 42 -4.950 0.920 2.856 318 1HG1 ILE 42 2HG1 ILE 42 -4.161 -0.762 0.700 319 2HG1 ILE 42 3HG1 ILE 42 -4.006 0.861 0.097 320 1HG2 ILE 42 1HG2 ILE 42 -6.784 -0.313 0.752 321 2HG2 ILE 42 2HG2 ILE 42 -5.917 -1.275 1.949 322 3HG2 ILE 42 3HG2 ILE 42 -7.118 -0.094 2.484 323 1HD1 ILE 42 1HD1 ILE 42 -2.327 -0.475 2.174 324 2HD1 ILE 42 2HD1 ILE 42 -1.928 0.625 0.878 325 3HD1 ILE 42 3HD1 ILE 42 -2.693 1.274 2.324 326 H GLU 43 H GLU 43 -8.323 2.036 0.598 327 HA GLU 43 HA GLU 43 -9.427 2.882 3.254 328 1HB GLU 43 2HB GLU 43 -10.030 3.889 0.454 329 2HB GLU 43 3HB GLU 43 -11.344 3.722 1.605 330 1HG GLU 43 2HG GLU 43 -9.947 5.096 3.270 331 2HG GLU 43 3HG GLU 43 -8.837 5.409 1.921 332 H SER 44 H SER 44 -9.894 0.779 3.942 333 HA SER 44 HA SER 44 -12.009 -0.637 2.504 334 1HB SER 44 2HB SER 44 -9.177 -1.698 2.756 335 2HB SER 44 3HB SER 44 -10.570 -2.746 2.419 336 HG SER 44 HG SER 44 -10.514 -0.546 0.802 337 H GLU 45 H GLU 45 -13.000 -2.222 3.755 338 HA GLU 45 HA GLU 45 -13.077 -1.482 6.526 339 1HB GLU 45 2HB GLU 45 -15.013 -3.140 6.516 340 2HB GLU 45 3HB GLU 45 -15.150 -1.709 5.507 341 1HG GLU 45 2HG GLU 45 -14.705 -2.962 3.478 342 2HG GLU 45 3HG GLU 45 -14.311 -4.413 4.430 343 H HIS 46 H HIS 46 -10.740 -2.294 6.807 344 HA HIS 46 HA HIS 46 -11.022 -4.601 8.559 345 1HB HIS 46 2HB HIS 46 -8.987 -5.779 7.628 346 2HB HIS 46 3HB HIS 46 -10.401 -5.852 6.577 347 HD1 HIS 46 1HD HIS 46 -7.702 -3.046 6.842 348 HD2 HIS 46 2HD HIS 46 -9.677 -5.572 4.084 349 HE1 HIS 46 1HE HIS 46 -7.275 -2.120 4.521 350 H SER 47 H SER 47 -8.633 -4.842 9.641 351 HA SER 47 HA SER 47 -7.971 -2.139 10.549 352 1HB SER 47 2HB SER 47 -7.923 -4.258 12.015 353 2HB SER 47 3HB SER 47 -6.376 -4.619 11.208 354 HG SER 47 HG SER 47 -5.665 -3.279 12.738 355 H MET 48 H MET 48 -5.664 -1.689 10.847 356 HA MET 48 HA MET 48 -4.392 -1.373 8.212 357 1HB MET 48 2HB MET 48 -2.598 -0.232 9.383 358 2HB MET 48 3HB MET 48 -4.177 0.520 9.616 359 1HG MET 48 2HG MET 48 -3.144 -1.440 11.643 360 2HG MET 48 3HG MET 48 -2.517 0.208 11.643 361 1HE MET 48 1HE MET 48 -4.940 -0.015 14.748 362 2HE MET 48 2HE MET 48 -4.024 -1.375 14.060 363 3HE MET 48 3HE MET 48 -3.255 0.225 14.225 364 H ASP 49 H ASP 49 -4.054 -3.402 11.129 365 HA ASP 49 HA ASP 49 -1.514 -4.405 10.752 366 1HB ASP 49 2HB ASP 49 -3.920 -6.037 11.690 367 2HB ASP 49 3HB ASP 49 -2.219 -6.290 12.105 368 H THR 50 H THR 50 -4.551 -5.725 9.504 369 HA THR 50 HA THR 50 -3.804 -7.875 7.988 370 HB THR 50 HB THR 50 -5.886 -5.845 7.090 371 HG1 THR 50 1HG THR 50 -6.080 -7.499 9.385 372 1HG2 THR 50 1HG2 THR 50 -7.268 -7.852 6.773 373 2HG2 THR 50 2HG2 THR 50 -5.734 -8.045 5.907 374 3HG2 THR 50 3HG2 THR 50 -5.989 -8.882 7.450 375 H LEU 51 H LEU 51 -3.600 -4.402 7.174 376 HA LEU 51 HA LEU 51 -2.819 -4.859 4.385 377 1HB LEU 51 2HB LEU 51 -2.778 -2.339 6.077 378 2HB LEU 51 3HB LEU 51 -2.310 -2.484 4.387 379 HG LEU 51 HG LEU 51 -5.072 -2.786 5.637 380 1HD1 LEU 51 1HD1 LEU 51 -3.954 -0.580 4.965 381 2HD1 LEU 51 2HD1 LEU 51 -3.990 -1.180 3.289 382 3HD1 LEU 51 3HD1 LEU 51 -5.502 -0.890 4.185 383 1HD2 LEU 51 1HD2 LEU 51 -4.078 -3.654 2.860 384 2HD2 LEU 51 2HD2 LEU 51 -5.055 -4.603 4.012 385 3HD2 LEU 51 3HD2 LEU 51 -5.759 -3.235 3.148 386 H LEU 52 H LEU 52 -1.227 -3.528 7.345 387 HA LEU 52 HA LEU 52 1.307 -3.111 6.460 388 1HB LEU 52 2HB LEU 52 0.223 -4.092 9.089 389 2HB LEU 52 3HB LEU 52 1.939 -4.233 8.738 390 HG LEU 52 HG LEU 52 1.928 -1.733 8.162 391 1HD1 LEU 52 1HD1 LEU 52 0.165 -0.412 9.279 392 2HD1 LEU 52 2HD1 LEU 52 -0.584 -1.512 8.109 393 3HD1 LEU 52 3HD1 LEU 52 -0.627 -1.895 9.841 394 1HD2 LEU 52 1HD2 LEU 52 1.468 -2.694 10.993 395 2HD2 LEU 52 2HD2 LEU 52 3.005 -2.668 10.095 396 3HD2 LEU 52 3HD2 LEU 52 2.205 -1.142 10.523 397 H ALA 53 H ALA 53 0.201 -6.237 7.870 398 HA ALA 53 HA ALA 53 2.657 -7.566 7.389 399 1HB ALA 53 1HB ALA 53 0.928 -8.312 9.010 400 2HB ALA 53 2HB ALA 53 -0.153 -8.739 7.665 401 3HB ALA 53 3HB ALA 53 1.372 -9.623 7.899 402 H THR 54 H THR 54 0.175 -6.793 5.062 403 HA THR 54 HA THR 54 1.345 -8.702 3.102 404 HB THR 54 HB THR 54 -1.290 -7.322 3.358 405 HG1 THR 54 1HG THR 54 -1.921 -9.391 3.517 406 1HG2 THR 54 1HG2 THR 54 -0.110 -8.644 0.874 407 2HG2 THR 54 2HG2 THR 54 -1.847 -8.399 1.135 408 3HG2 THR 54 3HG2 THR 54 -0.775 -6.997 1.035 409 H LEU 55 H LEU 55 0.937 -5.187 3.664 410 HA LEU 55 HA LEU 55 1.962 -4.590 1.045 411 1HB LEU 55 2HB LEU 55 0.881 -3.173 3.345 412 2HB LEU 55 3HB LEU 55 2.325 -2.333 2.764 413 HG LEU 55 HG LEU 55 -0.248 -2.844 1.316 414 1HD1 LEU 55 1HD1 LEU 55 1.422 -0.402 2.118 415 2HD1 LEU 55 2HD1 LEU 55 -0.062 -0.335 1.185 416 3HD1 LEU 55 3HD1 LEU 55 -0.106 -0.936 2.859 417 1HD2 LEU 55 1HD2 LEU 55 2.422 -1.882 0.209 418 2HD2 LEU 55 2HD2 LEU 55 1.385 -3.191 -0.423 419 3HD2 LEU 55 3HD2 LEU 55 0.844 -1.517 -0.532 420 H LYS 56 H LYS 56 3.327 -5.030 4.284 421 HA LYS 56 HA LYS 56 6.064 -4.525 3.725 422 1HB LYS 56 2HB LYS 56 4.538 -6.142 5.747 423 2HB LYS 56 3HB LYS 56 6.196 -6.564 5.507 424 1HG LYS 56 2HG LYS 56 5.977 -5.010 7.286 425 2HG LYS 56 3HG LYS 56 6.998 -4.356 5.991 426 1HD LYS 56 2HD LYS 56 5.045 -2.934 5.239 427 2HD LYS 56 3HD LYS 56 4.077 -3.638 6.526 428 1HE LYS 56 2HE LYS 56 4.806 -1.433 7.179 429 2HE LYS 56 3HE LYS 56 5.514 -2.639 8.254 430 1HZ LYS 56 1HZ LYS 56 7.038 -0.827 7.473 431 2HZ LYS 56 2HZ LYS 56 7.610 -2.347 7.170 432 3HZ LYS 56 3HZ LYS 56 6.980 -1.399 5.984 433 H LYS 57 H LYS 57 4.048 -7.189 2.562 434 HA LYS 57 HA LYS 57 6.229 -9.008 2.096 435 1HB LYS 57 2HB LYS 57 3.610 -8.824 0.576 436 2HB LYS 57 3HB LYS 57 4.782 -10.125 0.473 437 1HG LYS 57 2HG LYS 57 4.474 -10.769 2.769 438 2HG LYS 57 3HG LYS 57 3.441 -9.374 3.086 439 1HD LYS 57 2HD LYS 57 1.770 -10.257 1.405 440 2HD LYS 57 3HD LYS 57 2.866 -11.589 1.066 441 1HE LYS 57 2HE LYS 57 1.150 -12.477 2.449 442 2HE LYS 57 3HE LYS 57 2.625 -12.406 3.419 443 1HZ LYS 57 1HZ LYS 57 0.351 -10.486 3.576 444 2HZ LYS 57 2HZ LYS 57 0.720 -11.667 4.652 445 3HZ LYS 57 3HZ LYS 57 1.741 -10.402 4.452 446 H THR 58 H THR 58 5.355 -6.022 0.446 447 HA THR 58 HA THR 58 6.849 -6.542 -2.019 448 HB THR 58 HB THR 58 6.932 -4.177 -2.265 449 HG1 THR 58 1HG THR 58 5.737 -3.872 0.284 450 1HG2 THR 58 1HG2 THR 58 4.277 -4.973 -1.069 451 2HG2 THR 58 2HG2 THR 58 4.567 -3.598 -2.134 452 3HG2 THR 58 3HG2 THR 58 4.786 -5.252 -2.754 453 H GLY 59 H GLY 59 7.609 -5.534 1.274 454 1HA GLY 59 2HA GLY 59 9.472 -5.275 2.413 455 2HA GLY 59 3HA GLY 59 10.181 -6.556 1.399 456 H LYS 60 H LYS 60 9.097 -3.346 0.358 457 HA LYS 60 HA LYS 60 11.884 -2.563 -0.398 458 1HB LYS 60 2HB LYS 60 9.310 -1.216 -1.248 459 2HB LYS 60 3HB LYS 60 10.913 -1.137 -2.010 460 1HG LYS 60 2HG LYS 60 10.721 -3.673 -2.391 461 2HG LYS 60 3HG LYS 60 9.026 -3.520 -1.949 462 1HD LYS 60 2HD LYS 60 10.395 -2.273 -4.344 463 2HD LYS 60 3HD LYS 60 9.257 -3.647 -4.290 464 1HE LYS 60 2HE LYS 60 7.477 -2.099 -3.430 465 2HE LYS 60 3HE LYS 60 8.588 -0.730 -3.621 466 1HZ LYS 60 1HZ LYS 60 8.627 -1.066 -5.948 467 2HZ LYS 60 2HZ LYS 60 7.854 -2.510 -5.846 468 3HZ LYS 60 3HZ LYS 60 7.028 -1.146 -5.526 469 H THR 61 H THR 61 11.251 0.294 -0.367 470 HA THR 61 HA THR 61 11.526 0.843 2.399 471 HB THR 61 HB THR 61 10.913 2.845 0.295 472 HG1 THR 61 1HG THR 61 13.372 1.474 0.611 473 1HG2 THR 61 1HG2 THR 61 12.674 4.156 1.439 474 2HG2 THR 61 2HG2 THR 61 11.401 3.693 2.580 475 3HG2 THR 61 3HG2 THR 61 12.949 2.819 2.575 476 H VAL 62 H VAL 62 9.183 -0.495 2.418 477 HA VAL 62 HA VAL 62 6.936 1.397 2.180 478 HB VAL 62 HB VAL 62 6.803 -0.691 0.981 479 1HG1 VAL 62 1HG1 VAL 62 7.955 -2.205 2.624 480 2HG1 VAL 62 2HG1 VAL 62 6.514 -2.079 3.664 481 3HG1 VAL 62 3HG1 VAL 62 6.386 -2.802 2.066 482 1HG2 VAL 62 1HG2 VAL 62 4.759 0.522 1.706 483 2HG2 VAL 62 2HG2 VAL 62 4.505 -1.227 1.587 484 3HG2 VAL 62 3HG2 VAL 62 4.701 -0.468 3.177 485 H SER 63 H SER 63 5.941 2.258 3.901 486 HA SER 63 HA SER 63 5.456 0.695 6.219 487 1HB SER 63 2HB SER 63 7.789 2.518 6.415 488 2HB SER 63 3HB SER 63 6.602 2.734 7.702 489 HG SER 63 HG SER 63 8.161 1.124 8.183 490 H TYR 64 H TYR 64 4.310 1.801 7.897 491 HA TYR 64 HA TYR 64 2.003 2.959 6.607 492 1HB TYR 64 2HB TYR 64 1.879 1.018 8.056 493 2HB TYR 64 3HB TYR 64 2.680 1.880 9.361 494 HD1 TYR 64 HD1 TYR 64 1.361 2.616 11.119 495 HD2 TYR 64 HD2 TYR 64 -0.406 2.248 7.201 496 HE1 TYR 64 HE1 TYR 64 -0.887 2.959 12.096 497 HE2 TYR 64 HE2 TYR 64 -2.655 2.530 8.196 498 HH TYR 64 HH TYR 64 -3.853 2.618 10.183 499 H LEU 65 H LEU 65 0.946 4.819 7.177 500 HA LEU 65 HA LEU 65 2.219 6.831 8.967 501 1HB LEU 65 2HB LEU 65 0.633 7.211 6.432 502 2HB LEU 65 3HB LEU 65 0.911 8.465 7.641 503 HG LEU 65 HG LEU 65 3.474 7.729 7.366 504 1HD1 LEU 65 1HD1 LEU 65 3.098 5.904 5.797 505 2HD1 LEU 65 2HD1 LEU 65 2.193 6.976 4.702 506 3HD1 LEU 65 3HD1 LEU 65 3.937 7.222 4.981 507 1HD2 LEU 65 1HD2 LEU 65 2.582 9.924 7.036 508 2HD2 LEU 65 2HD2 LEU 65 3.682 9.521 5.696 509 3HD2 LEU 65 3HD2 LEU 65 1.913 9.471 5.443 510 H GLY 66 H GLY 66 0.172 8.341 9.671 511 1HA GLY 66 2HA GLY 66 -1.369 6.804 11.449 512 2HA GLY 66 3HA GLY 66 -1.695 8.476 10.970 513 H LEU 67 H LEU 67 -3.723 6.464 11.531 514 HA LEU 67 HA LEU 67 -4.901 5.706 8.956 515 1HB LEU 67 2HB LEU 67 -6.778 5.101 10.601 516 2HB LEU 67 3HB LEU 67 -5.395 4.058 10.311 517 HG LEU 67 HG LEU 67 -4.353 4.763 12.416 518 1HD1 LEU 67 1HD1 LEU 67 -6.910 6.381 12.805 519 2HD1 LEU 67 2HD1 LEU 67 -5.605 6.182 14.002 520 3HD1 LEU 67 3HD1 LEU 67 -5.312 7.074 12.494 521 1HD2 LEU 67 1HD2 LEU 67 -7.259 3.915 12.677 522 2HD2 LEU 67 2HD2 LEU 67 -5.889 2.857 12.287 523 3HD2 LEU 67 3HD2 LEU 67 -5.968 3.649 13.878 524 H GLU 68 H GLU 68 -4.717 7.941 8.248 525 HA GLU 68 HA GLU 68 -6.884 9.713 9.301 526 1HB GLU 68 2HB GLU 68 -4.645 10.584 7.461 527 2HB GLU 68 3HB GLU 68 -5.644 11.528 8.570 528 1HG GLU 68 2HG GLU 68 -3.332 9.656 9.212 529 2HG GLU 68 3HG GLU 68 -3.416 11.395 9.451 Start of MODEL 17 1 1H MET 1 H1 MET 1 -15.462 2.656 7.651 2 2H MET 1 H2 MET 1 -15.684 1.581 6.391 3 3H MET 1 H3 MET 1 -14.498 1.319 7.360 4 HA MET 1 HA MET 1 -13.651 2.230 5.352 5 1HB MET 1 2HB MET 1 -15.648 4.459 5.910 6 2HB MET 1 3HB MET 1 -14.395 4.552 4.667 7 1HG MET 1 2HG MET 1 -15.311 2.719 3.439 8 2HG MET 1 3HG MET 1 -16.513 2.377 4.695 9 1HE MET 1 1HE MET 1 -18.710 3.610 1.740 10 2HE MET 1 2HE MET 1 -17.201 2.674 1.624 11 3HE MET 1 3HE MET 1 -18.393 2.291 2.894 12 HA PRO 2 HA PRO 2 -11.177 4.632 8.491 13 1HB PRO 2 2HB PRO 2 -9.322 2.860 9.186 14 2HB PRO 2 3HB PRO 2 -10.886 2.890 10.058 15 1HG PRO 2 2HG PRO 2 -10.044 1.046 7.795 16 2HG PRO 2 3HG PRO 2 -10.798 0.585 9.345 17 1HD PRO 2 2HD PRO 2 -12.261 0.952 7.032 18 2HD PRO 2 3HD PRO 2 -12.907 1.355 8.654 19 H LYS 3 H LYS 3 -9.021 5.293 7.812 20 HA LYS 3 HA LYS 3 -8.241 4.349 5.079 21 1HB LYS 3 2HB LYS 3 -9.289 6.367 4.712 22 2HB LYS 3 3HB LYS 3 -8.659 7.122 6.164 23 1HG LYS 3 2HG LYS 3 -6.410 7.242 5.188 24 2HG LYS 3 3HG LYS 3 -6.959 6.329 3.758 25 1HD LYS 3 2HD LYS 3 -8.570 8.104 3.206 26 2HD LYS 3 3HD LYS 3 -8.107 9.033 4.640 27 1HE LYS 3 2HE LYS 3 -6.140 8.283 2.423 28 2HE LYS 3 3HE LYS 3 -7.086 9.779 2.405 29 1HZ LYS 3 1HZ LYS 3 -4.834 10.015 3.357 30 2HZ LYS 3 2HZ LYS 3 -6.030 10.452 4.457 31 3HZ LYS 3 3HZ LYS 3 -5.270 9.088 4.640 32 H HIS 4 H HIS 4 -6.163 3.885 4.802 33 HA HIS 4 HA HIS 4 -4.244 4.268 7.048 34 1HB HIS 4 2HB HIS 4 -4.703 1.664 5.529 35 2HB HIS 4 3HB HIS 4 -3.569 1.963 6.831 36 HD1 HIS 4 1HD HIS 4 -5.926 3.584 8.600 37 HD2 HIS 4 2HD HIS 4 -5.871 -0.302 6.989 38 HE1 HIS 4 1HE HIS 4 -7.358 2.119 10.144 39 H GLU 5 H GLU 5 -2.820 5.684 6.072 40 HA GLU 5 HA GLU 5 -2.116 5.225 3.249 41 1HB GLU 5 2HB GLU 5 -1.156 7.418 5.074 42 2HB GLU 5 3HB GLU 5 -0.849 7.253 3.352 43 1HG GLU 5 2HG GLU 5 -3.454 7.337 3.157 44 2HG GLU 5 3HG GLU 5 -3.403 7.924 4.829 45 H PHE 6 H PHE 6 -0.097 4.912 2.445 46 HA PHE 6 HA PHE 6 2.102 4.282 4.320 47 1HB PHE 6 2HB PHE 6 1.286 2.659 1.884 48 2HB PHE 6 3HB PHE 6 2.703 2.376 2.885 49 HD1 PHE 6 1HD PHE 6 -1.084 2.480 3.031 50 HD2 PHE 6 2HD PHE 6 2.542 0.736 4.612 51 HE1 PHE 6 1HE PHE 6 -2.414 1.064 4.537 52 HE2 PHE 6 2HE PHE 6 1.181 -0.988 5.678 53 HZ PHE 6 HZ PHE 6 -1.291 -0.706 5.890 54 H SER 7 H SER 7 4.024 5.074 3.627 55 HA SER 7 HA SER 7 4.072 6.407 0.955 56 1HB SER 7 2HB SER 7 4.734 7.896 2.772 57 2HB SER 7 3HB SER 7 6.057 6.785 3.186 58 HG SER 7 HG SER 7 5.756 7.705 0.509 59 H VAL 8 H VAL 8 5.322 5.415 -0.563 60 HA VAL 8 HA VAL 8 6.714 2.892 0.223 61 HB VAL 8 HB VAL 8 4.563 3.217 -1.905 62 1HG1 VAL 8 1HG1 VAL 8 4.909 0.651 -2.013 63 2HG1 VAL 8 2HG1 VAL 8 6.132 1.673 -2.769 64 3HG1 VAL 8 3HG1 VAL 8 6.451 0.948 -1.188 65 1HG2 VAL 8 1HG2 VAL 8 3.428 3.095 0.184 66 2HG2 VAL 8 2HG2 VAL 8 3.392 1.443 -0.447 67 3HG2 VAL 8 3HG2 VAL 8 4.537 1.877 0.825 68 H ASP 9 H ASP 9 8.655 3.039 -0.579 69 HA ASP 9 HA ASP 9 9.772 4.638 -2.577 70 1HB ASP 9 2HB ASP 9 11.322 3.333 -1.428 71 2HB ASP 9 3HB ASP 9 10.326 1.866 -1.560 72 H MET 10 H MET 10 8.899 4.996 -4.427 73 HA MET 10 HA MET 10 8.390 2.740 -6.295 74 1HB MET 10 2HB MET 10 6.897 5.390 -6.101 75 2HB MET 10 3HB MET 10 6.787 4.283 -7.480 76 1HG MET 10 2HG MET 10 5.742 2.589 -6.223 77 2HG MET 10 3HG MET 10 6.143 3.337 -4.675 78 1HE MET 10 1HE MET 10 3.221 2.212 -5.602 79 2HE MET 10 2HE MET 10 3.653 2.773 -3.972 80 3HE MET 10 3HE MET 10 2.235 3.462 -4.806 81 H THR 11 H THR 11 10.902 3.393 -5.911 82 HA THR 11 HA THR 11 11.786 5.596 -7.467 83 HB THR 11 HB THR 11 13.098 4.424 -5.721 84 HG1 THR 11 1HG THR 11 14.057 5.708 -7.440 85 1HG2 THR 11 1HG2 THR 11 14.317 2.386 -6.202 86 2HG2 THR 11 2HG2 THR 11 12.592 2.043 -6.400 87 3HG2 THR 11 3HG2 THR 11 13.623 2.273 -7.828 88 H CYS 12 HN CYS 12 10.703 2.379 -8.448 89 HA CYS 12 HA CYS 12 10.942 3.264 -11.237 90 1HB CYS 12 2HB CYS 12 11.351 0.880 -11.902 91 2HB CYS 12 3HB CYS 12 12.729 1.725 -11.199 92 H GLY 13 H GLY 13 9.153 2.802 -12.398 93 1HA GLY 13 2HA GLY 13 6.748 2.972 -11.132 94 2HA GLY 13 3HA GLY 13 6.925 2.395 -12.799 95 H GLY 14 H GLY 14 8.442 0.013 -12.009 96 1HA GLY 14 2HA GLY 14 6.400 -1.829 -11.920 97 2HA GLY 14 3HA GLY 14 8.092 -2.183 -11.508 98 H CYS 15 HN CYS 15 7.921 -0.167 -9.156 99 HA CYS 15 HA CYS 15 7.095 -1.953 -7.086 100 1HB CYS 15 2HB CYS 15 7.423 1.045 -7.207 101 2HB CYS 15 3HB CYS 15 7.149 0.156 -5.703 102 H ALA 16 H ALA 16 5.297 0.587 -8.894 103 HA ALA 16 HA ALA 16 2.981 0.549 -7.163 104 1HB ALA 16 1HB ALA 16 3.439 2.409 -8.715 105 2HB ALA 16 2HB ALA 16 3.221 1.318 -10.105 106 3HB ALA 16 3HB ALA 16 1.856 1.667 -9.031 107 H GLU 17 H GLU 17 3.860 -1.093 -10.196 108 HA GLU 17 HA GLU 17 1.637 -2.775 -10.553 109 1HB GLU 17 2HB GLU 17 4.396 -2.683 -11.490 110 2HB GLU 17 3HB GLU 17 4.050 -4.305 -10.967 111 1HG GLU 17 2HG GLU 17 1.833 -3.967 -12.471 112 2HG GLU 17 3HG GLU 17 2.848 -2.739 -13.238 113 H ALA 18 H ALA 18 4.630 -3.441 -8.703 114 HA ALA 18 HA ALA 18 3.906 -5.989 -7.779 115 1HB ALA 18 1HB ALA 18 5.696 -3.919 -6.423 116 2HB ALA 18 2HB ALA 18 5.705 -5.665 -6.111 117 3HB ALA 18 3HB ALA 18 6.218 -5.044 -7.699 118 H VAL 19 H VAL 19 3.520 -2.787 -6.094 119 HA VAL 19 HA VAL 19 2.334 -3.855 -3.767 120 HB VAL 19 HB VAL 19 2.074 -1.171 -5.209 121 1HG1 VAL 19 1HG1 VAL 19 1.149 -0.569 -2.838 122 2HG1 VAL 19 2HG1 VAL 19 0.082 -1.352 -4.004 123 3HG1 VAL 19 3HG1 VAL 19 0.865 -2.331 -2.713 124 1HG2 VAL 19 1HG2 VAL 19 3.445 -1.800 -2.561 125 2HG2 VAL 19 2HG2 VAL 19 4.324 -1.792 -4.107 126 3HG2 VAL 19 3HG2 VAL 19 3.524 -0.320 -3.534 127 H SER 20 H SER 20 0.890 -2.673 -6.851 128 HA SER 20 HA SER 20 -1.774 -3.032 -5.978 129 1HB SER 20 2HB SER 20 -0.877 -1.876 -8.125 130 2HB SER 20 3HB SER 20 -0.779 -3.460 -8.867 131 HG SER 20 HG SER 20 -3.194 -2.593 -7.666 132 H ARG 21 H ARG 21 0.357 -5.199 -7.698 133 HA ARG 21 HA ARG 21 -1.322 -7.467 -7.821 134 1HB ARG 21 2HB ARG 21 0.353 -8.117 -9.038 135 2HB ARG 21 3HB ARG 21 1.363 -6.811 -8.491 136 1HG ARG 21 2HG ARG 21 2.370 -8.147 -6.768 137 2HG ARG 21 3HG ARG 21 1.227 -9.463 -7.061 138 1HD ARG 21 2HD ARG 21 3.262 -10.037 -8.179 139 2HD ARG 21 3HD ARG 21 2.100 -9.660 -9.434 140 HE ARG 21 HE ARG 21 4.528 -8.174 -8.616 141 1HH1 ARG 21 2HH2 ARG 21 1.656 -7.973 -10.791 142 2HH1 ARG 21 1HH2 ARG 21 2.574 -6.964 -11.920 143 1HH2 ARG 21 2HH1 ARG 21 5.579 -6.880 -10.300 144 2HH2 ARG 21 1HH1 ARG 21 4.561 -6.430 -11.672 145 H VAL 22 H VAL 22 0.850 -6.455 -5.155 146 HA VAL 22 HA VAL 22 0.440 -8.770 -3.546 147 HB VAL 22 HB VAL 22 2.066 -6.523 -3.465 148 1HG1 VAL 22 1HG1 VAL 22 1.869 -5.568 -1.211 149 2HG1 VAL 22 2HG1 VAL 22 0.499 -5.089 -2.168 150 3HG1 VAL 22 3HG1 VAL 22 0.327 -6.374 -0.952 151 1HG2 VAL 22 1HG2 VAL 22 3.052 -7.459 -1.507 152 2HG2 VAL 22 2HG2 VAL 22 1.625 -8.491 -1.235 153 3HG2 VAL 22 3HG2 VAL 22 2.657 -8.737 -2.677 154 H LEU 23 H LEU 23 -1.068 -5.593 -3.572 155 HA LEU 23 HA LEU 23 -2.881 -6.118 -1.369 156 1HB LEU 23 2HB LEU 23 -2.352 -3.917 -3.340 157 2HB LEU 23 3HB LEU 23 -3.911 -3.888 -2.628 158 HG LEU 23 HG LEU 23 -1.253 -4.034 -1.103 159 1HD1 LEU 23 1HD1 LEU 23 -1.621 -1.912 -2.446 160 2HD1 LEU 23 2HD1 LEU 23 -3.100 -1.648 -1.499 161 3HD1 LEU 23 3HD1 LEU 23 -1.508 -1.680 -0.696 162 1HD2 LEU 23 1HD2 LEU 23 -4.098 -3.459 -0.245 163 2HD2 LEU 23 2HD2 LEU 23 -3.153 -4.878 0.252 164 3HD2 LEU 23 3HD2 LEU 23 -2.675 -3.288 0.820 165 H ASN 24 H ASN 24 -3.090 -6.415 -4.933 166 HA ASN 24 HA ASN 24 -5.891 -6.920 -5.009 167 1HB ASN 24 2HB ASN 24 -4.598 -6.471 -7.037 168 2HB ASN 24 3HB ASN 24 -3.694 -7.980 -6.826 169 1HD2 ASN 24 1HD2 ASN 24 -6.995 -8.480 -5.859 170 2HD2 ASN 24 2HD2 ASN 24 -7.505 -9.130 -7.400 171 H LYS 25 H LYS 25 -3.054 -9.064 -4.445 172 HA LYS 25 HA LYS 25 -4.529 -11.430 -4.091 173 1HB LYS 25 2HB LYS 25 -1.888 -10.797 -3.895 174 2HB LYS 25 3HB LYS 25 -2.255 -11.045 -2.187 175 1HG LYS 25 2HG LYS 25 -3.242 -13.263 -2.710 176 2HG LYS 25 3HG LYS 25 -2.931 -12.999 -4.437 177 1HD LYS 25 2HD LYS 25 -0.496 -12.869 -3.991 178 2HD LYS 25 3HD LYS 25 -0.799 -13.207 -2.272 179 1HE LYS 25 2HE LYS 25 -1.849 -15.387 -2.878 180 2HE LYS 25 3HE LYS 25 -1.613 -15.038 -4.598 181 1HZ LYS 25 1HZ LYS 25 0.546 -15.419 -2.631 182 2HZ LYS 25 2HZ LYS 25 0.062 -16.500 -3.768 183 3HZ LYS 25 3HZ LYS 25 0.755 -15.087 -4.232 184 H LEU 26 H LEU 26 -4.050 -8.765 -1.794 185 HA LEU 26 HA LEU 26 -5.522 -9.914 0.401 186 1HB LEU 26 2HB LEU 26 -4.087 -7.685 0.240 187 2HB LEU 26 3HB LEU 26 -5.609 -6.967 -0.278 188 HG LEU 26 HG LEU 26 -5.504 -6.470 1.932 189 1HD1 LEU 26 1HD1 LEU 26 -7.199 -8.956 2.044 190 2HD1 LEU 26 2HD1 LEU 26 -7.391 -7.399 2.888 191 3HD1 LEU 26 3HD1 LEU 26 -7.667 -7.494 1.141 192 1HD2 LEU 26 1HD2 LEU 26 -4.744 -9.322 2.601 193 2HD2 LEU 26 2HD2 LEU 26 -3.723 -7.860 2.678 194 3HD2 LEU 26 3HD2 LEU 26 -5.111 -8.018 3.761 195 H GLY 27 H GLY 27 -6.469 -7.873 -2.386 196 1HA GLY 27 2HA GLY 27 -8.279 -8.140 -3.794 197 2HA GLY 27 3HA GLY 27 -8.921 -9.408 -2.744 198 H GLY 28 H GLY 28 -9.472 -8.356 -0.426 199 1HA GLY 28 2HA GLY 28 -11.788 -6.671 -0.962 200 2HA GLY 28 3HA GLY 28 -11.235 -7.266 0.610 201 H VAL 29 H VAL 29 -9.712 -5.127 -1.864 202 HA VAL 29 HA VAL 29 -9.465 -2.946 0.149 203 HB VAL 29 HB VAL 29 -7.086 -2.671 -0.465 204 1HG1 VAL 29 1HG1 VAL 29 -7.614 -5.488 0.516 205 2HG1 VAL 29 2HG1 VAL 29 -6.163 -4.537 0.813 206 3HG1 VAL 29 3HG1 VAL 29 -7.704 -4.052 1.564 207 1HG2 VAL 29 1HG2 VAL 29 -7.192 -3.912 -2.687 208 2HG2 VAL 29 2HG2 VAL 29 -5.866 -4.400 -1.620 209 3HG2 VAL 29 3HG2 VAL 29 -7.307 -5.423 -1.765 210 H LYS 30 H LYS 30 -9.136 -0.832 -0.785 211 HA LYS 30 HA LYS 30 -8.480 -0.706 -3.567 212 1HB LYS 30 2HB LYS 30 -11.016 0.567 -2.511 213 2HB LYS 30 3HB LYS 30 -10.054 1.399 -3.728 214 1HG LYS 30 2HG LYS 30 -11.294 -1.353 -4.055 215 2HG LYS 30 3HG LYS 30 -11.863 0.163 -4.714 216 1HD LYS 30 2HD LYS 30 -10.785 -0.386 -6.584 217 2HD LYS 30 3HD LYS 30 -9.385 0.307 -5.792 218 1HE LYS 30 2HE LYS 30 -9.065 -1.877 -7.026 219 2HE LYS 30 3HE LYS 30 -8.418 -1.854 -5.394 220 1HZ LYS 30 1HZ LYS 30 -9.653 -3.871 -5.956 221 2HZ LYS 30 2HZ LYS 30 -10.193 -3.106 -4.620 222 3HZ LYS 30 3HZ LYS 30 -11.054 -3.003 -6.035 223 H TYR 31 H TYR 31 -7.345 1.226 -4.020 224 HA TYR 31 HA TYR 31 -6.418 2.760 -1.769 225 1HB TYR 31 2HB TYR 31 -4.050 1.839 -2.128 226 2HB TYR 31 3HB TYR 31 -5.184 0.776 -1.310 227 HD1 TYR 31 HD1 TYR 31 -2.890 0.976 -4.052 228 HD2 TYR 31 HD2 TYR 31 -6.247 -1.184 -2.451 229 HE1 TYR 31 HE1 TYR 31 -2.507 -0.853 -5.678 230 HE2 TYR 31 HE2 TYR 31 -6.022 -2.872 -4.255 231 HH TYR 31 HH TYR 31 -4.673 -3.657 -5.984 232 H ASP 32 H ASP 32 -5.235 4.536 -2.414 233 HA ASP 32 HA ASP 32 -5.244 5.099 -5.338 234 1HB ASP 32 2HB ASP 32 -6.262 6.826 -3.792 235 2HB ASP 32 3HB ASP 32 -4.674 7.011 -3.036 236 H ILE 33 H ILE 33 -3.199 5.901 -6.204 237 HA ILE 33 HA ILE 33 -0.772 4.687 -4.966 238 HB ILE 33 HB ILE 33 -2.102 4.149 -7.642 239 1HG1 ILE 33 2HG1 ILE 33 -1.161 2.155 -5.529 240 2HG1 ILE 33 3HG1 ILE 33 -2.809 2.816 -5.555 241 1HG2 ILE 33 1HG2 ILE 33 -0.131 2.691 -8.121 242 2HG2 ILE 33 2HG2 ILE 33 0.243 4.415 -8.078 243 3HG2 ILE 33 3HG2 ILE 33 0.674 3.388 -6.689 244 1HD1 ILE 33 1HD1 ILE 33 -2.862 2.093 -8.089 245 2HD1 ILE 33 2HD1 ILE 33 -1.665 0.900 -7.535 246 3HD1 ILE 33 3HD1 ILE 33 -3.292 0.995 -6.806 247 H ASP 34 H ASP 34 0.222 6.672 -4.709 248 HA ASP 34 HA ASP 34 0.328 8.511 -7.082 249 1HB ASP 34 2HB ASP 34 -0.433 9.502 -4.920 250 2HB ASP 34 3HB ASP 34 1.172 9.096 -4.264 251 H LEU 35 H LEU 35 1.975 7.805 -8.334 252 HA LEU 35 HA LEU 35 4.273 6.523 -7.280 253 1HB LEU 35 2HB LEU 35 2.895 6.523 -9.642 254 2HB LEU 35 3HB LEU 35 4.275 7.516 -10.097 255 HG LEU 35 HG LEU 35 4.620 4.851 -8.635 256 1HD1 LEU 35 1HD1 LEU 35 3.136 4.487 -10.552 257 2HD1 LEU 35 2HD1 LEU 35 4.369 5.173 -11.635 258 3HD1 LEU 35 3HD1 LEU 35 4.702 3.669 -10.730 259 1HD2 LEU 35 1HD2 LEU 35 6.808 4.918 -9.804 260 2HD2 LEU 35 2HD2 LEU 35 6.328 6.435 -10.605 261 3HD2 LEU 35 3HD2 LEU 35 6.542 6.394 -8.844 262 HA PRO 36 HA PRO 36 6.682 10.492 -8.451 263 1HB PRO 36 2HB PRO 36 5.295 12.911 -8.282 264 2HB PRO 36 3HB PRO 36 5.715 12.038 -9.784 265 1HG PRO 36 2HG PRO 36 3.116 11.973 -8.258 266 2HG PRO 36 3HG PRO 36 3.352 12.106 -10.020 267 1HD PRO 36 2HD PRO 36 2.718 9.765 -8.902 268 2HD PRO 36 3HD PRO 36 3.935 9.810 -10.203 269 H ASN 37 H ASN 37 3.889 10.792 -6.183 270 HA ASN 37 HA ASN 37 5.710 11.918 -4.108 271 1HB ASN 37 2HB ASN 37 2.721 11.480 -3.952 272 2HB ASN 37 3HB ASN 37 3.737 12.246 -2.763 273 1HD2 ASN 37 1HD2 ASN 37 1.715 12.939 -5.379 274 2HD2 ASN 37 2HD2 ASN 37 2.312 14.567 -5.701 275 H LYS 38 H LYS 38 4.929 8.815 -5.155 276 HA LYS 38 HA LYS 38 5.518 6.809 -4.283 277 1HB LYS 38 2HB LYS 38 7.181 8.577 -2.433 278 2HB LYS 38 3HB LYS 38 7.487 6.878 -2.769 279 1HG LYS 38 2HG LYS 38 7.832 7.358 -5.160 280 2HG LYS 38 3HG LYS 38 7.418 9.045 -4.894 281 1HD LYS 38 2HD LYS 38 9.384 9.174 -3.247 282 2HD LYS 38 3HD LYS 38 9.851 7.576 -3.845 283 1HE LYS 38 2HE LYS 38 11.102 9.213 -5.111 284 2HE LYS 38 3HE LYS 38 9.892 8.510 -6.196 285 1HZ LYS 38 1HZ LYS 38 10.003 10.899 -6.406 286 2HZ LYS 38 2HZ LYS 38 8.527 10.510 -5.824 287 3HZ LYS 38 3HZ LYS 38 9.657 11.117 -4.816 288 H LYS 39 H LYS 39 3.089 6.941 -3.631 289 HA LYS 39 HA LYS 39 2.874 6.271 -0.801 290 1HB LYS 39 2HB LYS 39 1.853 8.811 -2.026 291 2HB LYS 39 3HB LYS 39 0.627 7.872 -1.184 292 1HG LYS 39 2HG LYS 39 2.182 7.840 0.830 293 2HG LYS 39 3HG LYS 39 3.181 9.036 -0.035 294 1HD LYS 39 2HD LYS 39 1.140 10.495 -0.241 295 2HD LYS 39 3HD LYS 39 0.190 9.250 0.593 296 1HE LYS 39 2HE LYS 39 1.762 9.497 2.582 297 2HE LYS 39 3HE LYS 39 2.439 10.927 1.776 298 1HZ LYS 39 1HZ LYS 39 0.107 11.803 1.804 299 2HZ LYS 39 2HZ LYS 39 -0.341 10.497 2.699 300 3HZ LYS 39 3HZ LYS 39 0.720 11.546 3.314 301 H VAL 40 H VAL 40 1.106 5.126 -0.249 302 HA VAL 40 HA VAL 40 -0.736 4.159 -2.333 303 HB VAL 40 HB VAL 40 0.646 2.472 -0.200 304 1HG1 VAL 40 1HG1 VAL 40 -1.294 1.735 -2.428 305 2HG1 VAL 40 2HG1 VAL 40 -0.493 0.595 -1.320 306 3HG1 VAL 40 3HG1 VAL 40 -1.660 1.770 -0.692 307 1HG2 VAL 40 1HG2 VAL 40 2.173 3.064 -2.027 308 2HG2 VAL 40 2HG2 VAL 40 1.742 1.360 -2.057 309 3HG2 VAL 40 3HG2 VAL 40 0.955 2.480 -3.205 310 H CYS 41 H CYS 41 -2.671 5.092 -1.533 311 HA CYS 41 HA CYS 41 -2.994 5.285 1.444 312 1HB CYS 41 2HB CYS 41 -4.275 6.950 -0.699 313 2HB CYS 41 3HB CYS 41 -4.562 7.050 1.025 314 HG CYS 41 HG CYS 41 -3.071 8.929 1.055 315 H ILE 42 H ILE 42 -4.081 3.571 2.193 316 HA ILE 42 HA ILE 42 -5.908 2.289 0.294 317 HB ILE 42 HB ILE 42 -4.864 1.126 2.907 318 1HG1 ILE 42 2HG1 ILE 42 -3.595 1.106 0.157 319 2HG1 ILE 42 3HG1 ILE 42 -2.925 1.767 1.652 320 1HG2 ILE 42 1HG2 ILE 42 -6.182 -0.028 0.401 321 2HG2 ILE 42 2HG2 ILE 42 -5.414 -1.042 1.593 322 3HG2 ILE 42 3HG2 ILE 42 -6.787 -0.048 2.056 323 1HD1 ILE 42 1HD1 ILE 42 -1.796 -0.242 0.990 324 2HD1 ILE 42 2HD1 ILE 42 -2.520 -0.432 2.563 325 3HD1 ILE 42 3HD1 ILE 42 -3.274 -1.178 1.125 326 H GLU 43 H GLU 43 -8.089 1.835 0.790 327 HA GLU 43 HA GLU 43 -9.044 2.559 3.507 328 1HB GLU 43 2HB GLU 43 -9.516 4.505 1.914 329 2HB GLU 43 3HB GLU 43 -10.535 3.389 0.989 330 1HG GLU 43 2HG GLU 43 -11.762 2.947 3.250 331 2HG GLU 43 3HG GLU 43 -10.890 4.359 3.856 332 H SER 44 H SER 44 -9.832 0.651 4.255 333 HA SER 44 HA SER 44 -12.081 -0.402 2.981 334 1HB SER 44 2HB SER 44 -10.326 -1.675 1.668 335 2HB SER 44 3HB SER 44 -9.834 -2.454 3.182 336 HG SER 44 HG SER 44 -11.422 -3.681 2.053 337 H GLU 45 H GLU 45 -12.776 -2.446 4.306 338 HA GLU 45 HA GLU 45 -12.498 -1.771 7.179 339 1HB GLU 45 2HB GLU 45 -14.119 -4.050 6.019 340 2HB GLU 45 3HB GLU 45 -14.335 -3.199 7.553 341 1HG GLU 45 2HG GLU 45 -14.925 -2.119 4.750 342 2HG GLU 45 3HG GLU 45 -16.095 -2.634 5.957 343 H HIS 46 H HIS 46 -10.085 -2.347 6.423 344 HA HIS 46 HA HIS 46 -9.500 -5.005 7.632 345 1HB HIS 46 2HB HIS 46 -8.333 -3.864 5.062 346 2HB HIS 46 3HB HIS 46 -7.459 -5.018 6.068 347 HD1 HIS 46 1HD HIS 46 -8.181 -7.549 5.951 348 HD2 HIS 46 2HD HIS 46 -10.420 -4.850 3.646 349 HE1 HIS 46 1HE HIS 46 -9.477 -8.941 4.257 350 H SER 47 H SER 47 -8.308 -4.570 9.407 351 HA SER 47 HA SER 47 -7.470 -1.970 10.086 352 1HB SER 47 2HB SER 47 -7.879 -3.991 11.624 353 2HB SER 47 3HB SER 47 -6.207 -4.476 11.257 354 HG SER 47 HG SER 47 -5.534 -2.876 12.506 355 H MET 48 H MET 48 -5.517 -0.954 10.118 356 HA MET 48 HA MET 48 -3.743 -1.149 8.035 357 1HB MET 48 2HB MET 48 -2.125 0.130 9.333 358 2HB MET 48 3HB MET 48 -3.738 0.843 9.346 359 1HG MET 48 2HG MET 48 -2.855 -0.969 11.572 360 2HG MET 48 3HG MET 48 -2.334 0.719 11.537 361 1HE MET 48 1HE MET 48 -5.093 0.434 14.381 362 2HE MET 48 2HE MET 48 -4.036 -0.895 13.855 363 3HE MET 48 3HE MET 48 -3.370 0.747 14.054 364 H ASP 49 H ASP 49 -3.604 -3.009 11.056 365 HA ASP 49 HA ASP 49 -1.042 -4.099 10.845 366 1HB ASP 49 2HB ASP 49 -3.471 -5.625 11.876 367 2HB ASP 49 3HB ASP 49 -1.801 -5.685 12.444 368 H THR 50 H THR 50 -4.165 -5.502 9.783 369 HA THR 50 HA THR 50 -3.257 -7.813 8.557 370 HB THR 50 HB THR 50 -5.651 -6.171 7.626 371 HG1 THR 50 1HG THR 50 -6.689 -7.130 9.494 372 1HG2 THR 50 1HG2 THR 50 -6.730 -8.399 7.527 373 2HG2 THR 50 2HG2 THR 50 -5.260 -8.376 6.533 374 3HG2 THR 50 3HG2 THR 50 -5.245 -9.159 8.128 375 H LEU 51 H LEU 51 -3.755 -4.532 7.238 376 HA LEU 51 HA LEU 51 -3.040 -5.178 4.514 377 1HB LEU 51 2HB LEU 51 -2.869 -2.537 6.040 378 2HB LEU 51 3HB LEU 51 -2.554 -2.769 4.322 379 HG LEU 51 HG LEU 51 -5.185 -2.852 5.816 380 1HD1 LEU 51 1HD1 LEU 51 -4.213 -0.775 4.747 381 2HD1 LEU 51 2HD1 LEU 51 -4.161 -1.659 3.218 382 3HD1 LEU 51 3HD1 LEU 51 -5.736 -1.279 3.972 383 1HD2 LEU 51 1HD2 LEU 51 -6.269 -3.659 3.701 384 2HD2 LEU 51 2HD2 LEU 51 -4.672 -4.090 3.065 385 3HD2 LEU 51 3HD2 LEU 51 -5.327 -4.920 4.499 386 H LEU 52 H LEU 52 -1.185 -3.581 7.138 387 HA LEU 52 HA LEU 52 1.249 -3.206 6.059 388 1HB LEU 52 2HB LEU 52 0.381 -3.908 8.802 389 2HB LEU 52 3HB LEU 52 2.090 -3.966 8.386 390 HG LEU 52 HG LEU 52 0.435 -1.555 7.625 391 1HD1 LEU 52 1HD1 LEU 52 -0.007 -1.888 9.946 392 2HD1 LEU 52 2HD1 LEU 52 1.732 -2.022 10.296 393 3HD1 LEU 52 3HD1 LEU 52 1.039 -0.480 9.699 394 1HD2 LEU 52 1HD2 LEU 52 3.362 -1.804 8.514 395 2HD2 LEU 52 2HD2 LEU 52 2.891 -1.883 6.811 396 3HD2 LEU 52 3HD2 LEU 52 2.595 -0.406 7.742 397 H ALA 53 H ALA 53 0.281 -6.203 7.801 398 HA ALA 53 HA ALA 53 2.611 -7.687 7.333 399 1HB ALA 53 1HB ALA 53 -0.274 -8.688 7.490 400 2HB ALA 53 2HB ALA 53 1.184 -9.673 7.742 401 3HB ALA 53 3HB ALA 53 0.792 -8.364 8.875 402 H THR 54 H THR 54 -0.148 -7.154 5.086 403 HA THR 54 HA THR 54 1.018 -9.043 3.169 404 HB THR 54 HB THR 54 -1.502 -7.391 3.242 405 HG1 THR 54 1HG THR 54 -1.757 -9.198 4.337 406 1HG2 THR 54 1HG2 THR 54 -0.905 -7.342 0.941 407 2HG2 THR 54 2HG2 THR 54 -0.372 -9.040 0.946 408 3HG2 THR 54 3HG2 THR 54 -2.089 -8.641 1.130 409 H LEU 55 H LEU 55 0.758 -5.494 3.539 410 HA LEU 55 HA LEU 55 1.660 -4.948 0.910 411 1HB LEU 55 2HB LEU 55 0.651 -3.550 3.159 412 2HB LEU 55 3HB LEU 55 2.231 -2.815 2.798 413 HG LEU 55 HG LEU 55 -0.330 -2.906 1.257 414 1HD1 LEU 55 1HD1 LEU 55 1.631 -0.783 2.264 415 2HD1 LEU 55 2HD1 LEU 55 0.294 -0.389 1.208 416 3HD1 LEU 55 3HD1 LEU 55 -0.039 -1.095 2.804 417 1HD2 LEU 55 1HD2 LEU 55 1.179 -3.395 -0.501 418 2HD2 LEU 55 2HD2 LEU 55 0.862 -1.659 -0.536 419 3HD2 LEU 55 3HD2 LEU 55 2.410 -2.257 0.131 420 H LYS 56 H LYS 56 3.269 -5.393 4.033 421 HA LYS 56 HA LYS 56 5.966 -4.954 3.459 422 1HB LYS 56 2HB LYS 56 4.388 -6.658 5.357 423 2HB LYS 56 3HB LYS 56 6.007 -7.195 5.042 424 1HG LYS 56 2HG LYS 56 6.022 -5.802 6.944 425 2HG LYS 56 3HG LYS 56 6.971 -5.062 5.639 426 1HD LYS 56 2HD LYS 56 4.842 -3.645 5.160 427 2HD LYS 56 3HD LYS 56 4.233 -4.217 6.706 428 1HE LYS 56 2HE LYS 56 6.887 -2.730 6.295 429 2HE LYS 56 3HE LYS 56 5.377 -1.958 6.780 430 1HZ LYS 56 1HZ LYS 56 5.401 -3.317 8.769 431 2HZ LYS 56 2HZ LYS 56 6.821 -4.019 8.311 432 3HZ LYS 56 3HZ LYS 56 6.767 -2.411 8.644 433 H LYS 57 H LYS 57 3.923 -7.576 2.168 434 HA LYS 57 HA LYS 57 6.109 -9.344 1.617 435 1HB LYS 57 2HB LYS 57 3.414 -9.142 0.255 436 2HB LYS 57 3HB LYS 57 4.543 -10.484 0.099 437 1HG LYS 57 2HG LYS 57 4.306 -11.127 2.396 438 2HG LYS 57 3HG LYS 57 3.476 -9.626 2.815 439 1HD LYS 57 2HD LYS 57 1.592 -10.240 1.330 440 2HD LYS 57 3HD LYS 57 2.355 -11.797 0.994 441 1HE LYS 57 2HE LYS 57 2.006 -12.623 3.162 442 2HE LYS 57 3HE LYS 57 1.927 -11.030 3.902 443 1HZ LYS 57 1HZ LYS 57 -0.280 -10.716 3.050 444 2HZ LYS 57 2HZ LYS 57 -0.205 -12.119 2.184 445 3HZ LYS 57 3HZ LYS 57 -0.198 -12.145 3.824 446 H THR 58 H THR 58 5.189 -6.331 0.073 447 HA THR 58 HA THR 58 6.581 -6.826 -2.455 448 HB THR 58 HB THR 58 6.651 -4.424 -2.650 449 HG1 THR 58 1HG THR 58 5.439 -4.228 -0.087 450 1HG2 THR 58 1HG2 THR 58 4.521 -5.588 -3.152 451 2HG2 THR 58 2HG2 THR 58 3.997 -5.268 -1.480 452 3HG2 THR 58 3HG2 THR 58 4.295 -3.917 -2.585 453 H GLY 59 H GLY 59 7.453 -5.809 0.805 454 1HA GLY 59 2HA GLY 59 9.345 -5.317 1.820 455 2HA GLY 59 3HA GLY 59 10.178 -6.430 0.709 456 H LYS 60 H LYS 60 8.491 -3.424 -0.315 457 HA LYS 60 HA LYS 60 11.119 -2.105 -0.834 458 1HB LYS 60 2HB LYS 60 8.447 -0.786 -1.202 459 2HB LYS 60 3HB LYS 60 9.986 -0.437 -1.968 460 1HG LYS 60 2HG LYS 60 8.037 -2.634 -2.613 461 2HG LYS 60 3HG LYS 60 8.535 -1.296 -3.629 462 1HD LYS 60 2HD LYS 60 10.104 -3.805 -2.902 463 2HD LYS 60 3HD LYS 60 9.501 -3.322 -4.471 464 1HE LYS 60 2HE LYS 60 11.897 -2.194 -2.966 465 2HE LYS 60 3HE LYS 60 11.836 -2.987 -4.539 466 1HZ LYS 60 1HZ LYS 60 12.089 -0.725 -4.953 467 2HZ LYS 60 2HZ LYS 60 10.486 -0.913 -5.240 468 3HZ LYS 60 3HZ LYS 60 11.071 -0.233 -3.845 469 H THR 61 H THR 61 10.821 0.396 -0.063 470 HA THR 61 HA THR 61 10.791 0.395 2.729 471 HB THR 61 HB THR 61 10.587 2.801 1.011 472 HG1 THR 61 1HG THR 61 12.742 2.467 0.393 473 1HG2 THR 61 1HG2 THR 61 12.432 2.109 3.347 474 2HG2 THR 61 2HG2 THR 61 12.365 3.671 2.507 475 3HG2 THR 61 3HG2 THR 61 10.976 3.124 3.462 476 H VAL 62 H VAL 62 8.345 -0.613 2.469 477 HA VAL 62 HA VAL 62 6.265 1.324 2.125 478 HB VAL 62 HB VAL 62 4.801 -0.529 2.794 479 1HG1 VAL 62 1HG1 VAL 62 6.845 -1.251 0.659 480 2HG1 VAL 62 2HG1 VAL 62 5.203 -1.909 0.805 481 3HG1 VAL 62 3HG1 VAL 62 5.428 -0.201 0.447 482 1HG2 VAL 62 1HG2 VAL 62 7.302 -2.266 2.968 483 2HG2 VAL 62 2HG2 VAL 62 6.211 -1.862 4.305 484 3HG2 VAL 62 3HG2 VAL 62 5.618 -2.804 2.943 485 H SER 63 H SER 63 6.653 2.939 3.476 486 HA SER 63 HA SER 63 6.985 2.603 6.377 487 1HB SER 63 2HB SER 63 6.787 5.119 4.659 488 2HB SER 63 3HB SER 63 7.460 4.993 6.286 489 HG SER 63 HG SER 63 8.476 3.673 3.945 490 H TYR 64 H TYR 64 5.300 3.091 7.875 491 HA TYR 64 HA TYR 64 2.623 3.237 6.727 492 1HB TYR 64 2HB TYR 64 3.231 1.740 8.635 493 2HB TYR 64 3HB TYR 64 3.469 3.167 9.646 494 HD1 TYR 64 HD1 TYR 64 1.564 4.187 10.717 495 HD2 TYR 64 HD2 TYR 64 0.970 1.501 7.404 496 HE1 TYR 64 HE1 TYR 64 -0.848 4.693 10.729 497 HE2 TYR 64 HE2 TYR 64 -1.417 2.064 7.374 498 HH TYR 64 HH TYR 64 -2.515 4.806 8.546 499 H LEU 65 H LEU 65 1.382 5.021 6.553 500 HA LEU 65 HA LEU 65 2.158 7.620 7.813 501 1HB LEU 65 2HB LEU 65 1.210 6.871 5.032 502 2HB LEU 65 3HB LEU 65 0.905 8.478 5.655 503 HG LEU 65 HG LEU 65 2.890 7.964 4.099 504 1HD1 LEU 65 1HD1 LEU 65 3.241 9.753 6.525 505 2HD1 LEU 65 2HD1 LEU 65 4.150 9.859 5.000 506 3HD1 LEU 65 3HD1 LEU 65 2.405 10.178 5.007 507 1HD2 LEU 65 1HD2 LEU 65 4.003 6.251 5.452 508 2HD2 LEU 65 2HD2 LEU 65 5.055 7.644 5.176 509 3HD2 LEU 65 3HD2 LEU 65 4.284 7.447 6.746 510 H GLY 66 H GLY 66 0.063 9.027 7.631 511 1HA GLY 66 2HA GLY 66 -1.997 9.266 8.825 512 2HA GLY 66 3HA GLY 66 -2.346 8.844 7.154 513 H LEU 67 H LEU 67 -2.839 7.992 10.415 514 HA LEU 67 HA LEU 67 -4.500 5.649 9.594 515 1HB LEU 67 2HB LEU 67 -3.051 5.012 11.424 516 2HB LEU 67 3HB LEU 67 -3.431 6.490 12.319 517 HG LEU 67 HG LEU 67 -5.730 5.756 12.681 518 1HD1 LEU 67 1HD1 LEU 67 -4.962 3.371 10.951 519 2HD1 LEU 67 2HD1 LEU 67 -6.411 3.432 11.980 520 3HD1 LEU 67 3HD1 LEU 67 -6.254 4.555 10.630 521 1HD2 LEU 67 1HD2 LEU 67 -5.312 3.777 14.069 522 2HD2 LEU 67 2HD2 LEU 67 -3.770 3.491 13.238 523 3HD2 LEU 67 3HD2 LEU 67 -3.985 4.945 14.241 524 H GLU 68 H GLU 68 -6.540 6.374 9.127 525 HA GLU 68 HA GLU 68 -7.627 8.797 10.477 526 1HB GLU 68 2HB GLU 68 -7.358 8.079 7.552 527 2HB GLU 68 3HB GLU 68 -8.449 9.355 8.115 528 1HG GLU 68 2HG GLU 68 -6.650 10.796 8.636 529 2HG GLU 68 3HG GLU 68 -5.488 9.475 8.806 Start of MODEL 18 1 1H MET 1 H1 MET 1 -8.712 0.900 10.374 2 2H MET 1 H2 MET 1 -9.451 -0.431 11.042 3 3H MET 1 H3 MET 1 -9.318 -0.287 9.417 4 HA MET 1 HA MET 1 -11.511 0.159 10.056 5 1HB MET 1 2HB MET 1 -10.634 2.665 11.500 6 2HB MET 1 3HB MET 1 -12.173 1.791 11.555 7 1HG MET 1 2HG MET 1 -11.080 -0.101 12.688 8 2HG MET 1 3HG MET 1 -9.610 0.892 12.852 9 1HE MET 1 1HE MET 1 -11.064 0.723 16.474 10 2HE MET 1 2HE MET 1 -11.149 -0.558 15.242 11 3HE MET 1 3HE MET 1 -9.653 0.392 15.442 12 HA PRO 2 HA PRO 2 -12.466 2.616 6.772 13 1HB PRO 2 2HB PRO 2 -11.651 5.414 7.400 14 2HB PRO 2 3HB PRO 2 -13.081 4.849 6.536 15 1HG PRO 2 2HG PRO 2 -13.262 5.510 9.169 16 2HG PRO 2 3HG PRO 2 -14.145 4.104 8.504 17 1HD PRO 2 2HD PRO 2 -11.676 4.146 10.177 18 2HD PRO 2 3HD PRO 2 -13.019 2.946 10.065 19 H LYS 3 H LYS 3 -9.508 4.703 7.473 20 HA LYS 3 HA LYS 3 -8.337 3.446 5.055 21 1HB LYS 3 2HB LYS 3 -7.846 5.379 3.925 22 2HB LYS 3 3HB LYS 3 -9.479 5.683 4.543 23 1HG LYS 3 2HG LYS 3 -8.358 6.969 6.448 24 2HG LYS 3 3HG LYS 3 -6.822 6.736 5.638 25 1HD LYS 3 2HD LYS 3 -7.537 8.910 5.032 26 2HD LYS 3 3HD LYS 3 -7.685 7.877 3.611 27 1HE LYS 3 2HE LYS 3 -9.599 9.357 3.738 28 2HE LYS 3 3HE LYS 3 -10.161 7.708 3.999 29 1HZ LYS 3 1HZ LYS 3 -11.145 9.220 5.582 30 2HZ LYS 3 2HZ LYS 3 -10.166 8.218 6.413 31 3HZ LYS 3 3HZ LYS 3 -9.697 9.751 6.093 32 H HIS 4 H HIS 4 -6.085 3.438 4.910 33 HA HIS 4 HA HIS 4 -4.584 4.407 7.262 34 1HB HIS 4 2HB HIS 4 -3.421 1.926 6.628 35 2HB HIS 4 3HB HIS 4 -4.189 2.388 8.124 36 HD1 HIS 4 1HD HIS 4 -7.263 2.032 7.437 37 HD2 HIS 4 2HD HIS 4 -4.112 -0.479 6.261 38 HE1 HIS 4 1HE HIS 4 -8.281 -0.256 6.944 39 H GLU 5 H GLU 5 -2.571 5.146 6.735 40 HA GLU 5 HA GLU 5 -2.117 5.377 3.800 41 1HB GLU 5 2HB GLU 5 -1.208 7.183 6.012 42 2HB GLU 5 3HB GLU 5 -1.166 7.542 4.326 43 1HG GLU 5 2HG GLU 5 -3.105 8.689 4.951 44 2HG GLU 5 3HG GLU 5 -3.882 7.106 4.722 45 H PHE 6 H PHE 6 0.003 5.233 2.878 46 HA PHE 6 HA PHE 6 2.254 4.337 4.606 47 1HB PHE 6 2HB PHE 6 1.264 2.752 2.206 48 2HB PHE 6 3HB PHE 6 2.579 2.343 3.288 49 HD1 PHE 6 1HD PHE 6 2.134 0.877 5.176 50 HD2 PHE 6 2HD PHE 6 -1.161 2.744 3.096 51 HE1 PHE 6 1HE PHE 6 0.558 -0.664 6.251 52 HE2 PHE 6 2HE PHE 6 -2.735 1.317 4.338 53 HZ PHE 6 HZ PHE 6 -1.871 -0.419 5.909 54 H SER 7 H SER 7 4.027 5.531 3.934 55 HA SER 7 HA SER 7 4.100 6.552 1.143 56 1HB SER 7 2HB SER 7 4.697 8.038 3.031 57 2HB SER 7 3HB SER 7 6.083 7.000 3.397 58 HG SER 7 HG SER 7 6.788 7.463 1.196 59 H VAL 8 H VAL 8 5.760 5.791 -0.354 60 HA VAL 8 HA VAL 8 7.059 3.228 0.415 61 HB VAL 8 HB VAL 8 5.166 3.612 -1.943 62 1HG1 VAL 8 1HG1 VAL 8 5.307 1.042 -1.997 63 2HG1 VAL 8 2HG1 VAL 8 6.707 1.896 -2.594 64 3HG1 VAL 8 3HG1 VAL 8 6.728 1.193 -0.954 65 1HG2 VAL 8 1HG2 VAL 8 4.787 2.232 0.721 66 2HG2 VAL 8 2HG2 VAL 8 3.797 3.527 0.019 67 3HG2 VAL 8 3HG2 VAL 8 3.751 1.906 -0.672 68 H ASP 9 H ASP 9 8.374 2.455 -1.553 69 HA ASP 9 HA ASP 9 9.563 4.727 -3.081 70 1HB ASP 9 2HB ASP 9 11.282 3.805 -1.719 71 2HB ASP 9 3HB ASP 9 10.788 2.134 -2.106 72 H MET 10 H MET 10 8.469 4.690 -4.926 73 HA MET 10 HA MET 10 8.680 2.224 -6.506 74 1HB MET 10 2HB MET 10 6.495 4.289 -7.033 75 2HB MET 10 3HB MET 10 6.742 2.732 -7.823 76 1HG MET 10 2HG MET 10 4.981 2.283 -6.464 77 2HG MET 10 3HG MET 10 6.267 1.791 -5.357 78 1HE MET 10 1HE MET 10 3.026 2.832 -5.150 79 2HE MET 10 2HE MET 10 3.831 2.078 -3.747 80 3HE MET 10 3HE MET 10 3.080 3.693 -3.601 81 H THR 11 H THR 11 10.858 3.596 -6.361 82 HA THR 11 HA THR 11 10.955 5.800 -8.203 83 HB THR 11 HB THR 11 13.178 3.975 -7.217 84 HG1 THR 11 1HG THR 11 12.166 4.931 -5.528 85 1HG2 THR 11 1HG2 THR 11 14.597 6.014 -7.574 86 2HG2 THR 11 2HG2 THR 11 14.020 5.316 -9.092 87 3HG2 THR 11 3HG2 THR 11 13.244 6.777 -8.434 88 H CYS 12 HN CYS 12 10.450 2.458 -8.863 89 HA CYS 12 HA CYS 12 10.526 3.218 -11.676 90 1HB CYS 12 2HB CYS 12 11.122 0.861 -12.293 91 2HB CYS 12 3HB CYS 12 12.439 1.885 -11.725 92 H GLY 13 H GLY 13 8.743 2.655 -12.717 93 1HA GLY 13 2HA GLY 13 6.381 2.698 -11.404 94 2HA GLY 13 3HA GLY 13 6.549 2.084 -13.053 95 H GLY 14 H GLY 14 8.099 -0.240 -12.410 96 1HA GLY 14 2HA GLY 14 6.097 -2.117 -12.117 97 2HA GLY 14 3HA GLY 14 7.828 -2.445 -11.873 98 H CYS 15 HN CYS 15 7.871 -0.467 -9.485 99 HA CYS 15 HA CYS 15 7.165 -2.331 -7.411 100 1HB CYS 15 2HB CYS 15 7.671 0.628 -7.452 101 2HB CYS 15 3HB CYS 15 7.420 -0.281 -5.958 102 H ALA 16 H ALA 16 5.363 0.350 -8.992 103 HA ALA 16 HA ALA 16 3.187 0.369 -7.083 104 1HB ALA 16 1HB ALA 16 3.638 2.241 -8.642 105 2HB ALA 16 2HB ALA 16 3.182 1.204 -10.015 106 3HB ALA 16 3HB ALA 16 1.981 1.620 -8.782 107 H GLU 17 H GLU 17 3.824 -1.288 -10.206 108 HA GLU 17 HA GLU 17 1.401 -2.738 -10.395 109 1HB GLU 17 2HB GLU 17 4.182 -3.686 -11.222 110 2HB GLU 17 3HB GLU 17 2.635 -4.306 -11.782 111 1HG GLU 17 2HG GLU 17 2.132 -2.198 -12.905 112 2HG GLU 17 3HG GLU 17 3.605 -1.450 -12.262 113 H ALA 18 H ALA 18 4.517 -3.604 -8.830 114 HA ALA 18 HA ALA 18 3.798 -6.153 -7.865 115 1HB ALA 18 1HB ALA 18 6.118 -5.243 -7.885 116 2HB ALA 18 2HB ALA 18 5.670 -4.130 -6.572 117 3HB ALA 18 3HB ALA 18 5.648 -5.877 -6.289 118 H VAL 19 H VAL 19 3.621 -2.962 -6.139 119 HA VAL 19 HA VAL 19 2.455 -3.893 -3.770 120 HB VAL 19 HB VAL 19 2.263 -1.257 -5.287 121 1HG1 VAL 19 1HG1 VAL 19 0.328 -1.320 -3.945 122 2HG1 VAL 19 2HG1 VAL 19 1.180 -2.234 -2.659 123 3HG1 VAL 19 3HG1 VAL 19 1.517 -0.490 -2.924 124 1HG2 VAL 19 1HG2 VAL 19 3.916 -0.449 -3.811 125 2HG2 VAL 19 2HG2 VAL 19 3.713 -1.783 -2.672 126 3HG2 VAL 19 3HG2 VAL 19 4.530 -2.058 -4.223 127 H SER 20 H SER 20 0.910 -2.706 -6.784 128 HA SER 20 HA SER 20 -1.751 -2.986 -5.873 129 1HB SER 20 2HB SER 20 -0.842 -1.886 -8.043 130 2HB SER 20 3HB SER 20 -0.705 -3.472 -8.748 131 HG SER 20 HG SER 20 -2.659 -2.523 -9.346 132 H ARG 21 H ARG 21 0.255 -5.269 -7.621 133 HA ARG 21 HA ARG 21 -1.534 -7.472 -7.589 134 1HB ARG 21 2HB ARG 21 0.134 -8.242 -8.816 135 2HB ARG 21 3HB ARG 21 1.207 -6.995 -8.242 136 1HG ARG 21 2HG ARG 21 2.067 -8.363 -6.471 137 2HG ARG 21 3HG ARG 21 0.828 -9.599 -6.729 138 1HD ARG 21 2HD ARG 21 3.037 -10.207 -7.714 139 2HD ARG 21 3HD ARG 21 1.714 -10.159 -8.903 140 HE ARG 21 HE ARG 21 2.957 -7.611 -8.842 141 1HH1 ARG 21 2HH2 ARG 21 3.675 -10.882 -9.903 142 2HH1 ARG 21 1HH2 ARG 21 4.709 -10.407 -11.217 143 1HH2 ARG 21 2HH1 ARG 21 4.319 -6.918 -10.567 144 2HH2 ARG 21 1HH1 ARG 21 5.077 -8.079 -11.596 145 H VAL 22 H VAL 22 0.822 -6.495 -5.067 146 HA VAL 22 HA VAL 22 0.452 -8.742 -3.384 147 HB VAL 22 HB VAL 22 2.080 -6.480 -3.418 148 1HG1 VAL 22 1HG1 VAL 22 1.972 -5.526 -1.125 149 2HG1 VAL 22 2HG1 VAL 22 0.594 -5.034 -2.058 150 3HG1 VAL 22 3HG1 VAL 22 0.441 -6.317 -0.839 151 1HG2 VAL 22 1HG2 VAL 22 2.726 -8.690 -2.661 152 2HG2 VAL 22 2HG2 VAL 22 3.177 -7.422 -1.501 153 3HG2 VAL 22 3HG2 VAL 22 1.771 -8.461 -1.166 154 H LEU 23 H LEU 23 -1.023 -5.567 -3.433 155 HA LEU 23 HA LEU 23 -2.711 -6.017 -1.109 156 1HB LEU 23 2HB LEU 23 -2.166 -3.846 -3.079 157 2HB LEU 23 3HB LEU 23 -3.726 -3.771 -2.386 158 HG LEU 23 HG LEU 23 -1.092 -4.066 -0.819 159 1HD1 LEU 23 1HD1 LEU 23 -1.249 -1.651 -0.423 160 2HD1 LEU 23 2HD1 LEU 23 -1.252 -1.936 -2.174 161 3HD1 LEU 23 3HD1 LEU 23 -2.770 -1.601 -1.316 162 1HD2 LEU 23 1HD2 LEU 23 -3.179 -4.742 0.449 163 2HD2 LEU 23 2HD2 LEU 23 -2.425 -3.287 1.099 164 3HD2 LEU 23 3HD2 LEU 23 -3.851 -3.158 0.035 165 H ASN 24 H ASN 24 -3.256 -6.124 -4.704 166 HA ASN 24 HA ASN 24 -6.018 -6.705 -4.486 167 1HB ASN 24 2HB ASN 24 -5.009 -6.214 -6.652 168 2HB ASN 24 3HB ASN 24 -4.006 -7.666 -6.547 169 1HD2 ASN 24 1HD2 ASN 24 -7.473 -7.746 -5.400 170 2HD2 ASN 24 2HD2 ASN 24 -7.916 -8.790 -6.719 171 H LYS 25 H LYS 25 -3.145 -8.855 -4.301 172 HA LYS 25 HA LYS 25 -4.518 -11.252 -3.901 173 1HB LYS 25 2HB LYS 25 -1.854 -10.487 -3.782 174 2HB LYS 25 3HB LYS 25 -2.162 -10.988 -2.123 175 1HG LYS 25 2HG LYS 25 -3.210 -13.093 -2.998 176 2HG LYS 25 3HG LYS 25 -2.730 -12.605 -4.644 177 1HD LYS 25 2HD LYS 25 -0.336 -12.511 -3.859 178 2HD LYS 25 3HD LYS 25 -0.843 -13.170 -2.300 179 1HE LYS 25 2HE LYS 25 -1.086 -14.506 -5.050 180 2HE LYS 25 3HE LYS 25 0.050 -14.945 -3.768 181 1HZ LYS 25 1HZ LYS 25 -2.885 -15.201 -3.631 182 2HZ LYS 25 2HZ LYS 25 -1.810 -16.427 -3.809 183 3HZ LYS 25 3HZ LYS 25 -1.850 -15.572 -2.406 184 H LEU 26 H LEU 26 -4.087 -8.645 -1.574 185 HA LEU 26 HA LEU 26 -5.107 -9.945 0.784 186 1HB LEU 26 2HB LEU 26 -4.098 -7.584 0.603 187 2HB LEU 26 3HB LEU 26 -5.641 -7.086 -0.077 188 HG LEU 26 HG LEU 26 -5.565 -6.323 2.031 189 1HD1 LEU 26 1HD1 LEU 26 -7.678 -7.152 0.976 190 2HD1 LEU 26 2HD1 LEU 26 -7.586 -8.541 2.098 191 3HD1 LEU 26 3HD1 LEU 26 -7.697 -6.889 2.729 192 1HD2 LEU 26 1HD2 LEU 26 -4.081 -7.871 3.136 193 2HD2 LEU 26 2HD2 LEU 26 -5.611 -7.633 4.004 194 3HD2 LEU 26 3HD2 LEU 26 -5.340 -9.144 3.096 195 H GLY 27 H GLY 27 -6.682 -8.125 -1.861 196 1HA GLY 27 2HA GLY 27 -8.409 -9.829 -2.793 197 2HA GLY 27 3HA GLY 27 -9.334 -9.379 -1.361 198 H GLY 28 H GLY 28 -10.264 -7.350 -1.201 199 1HA GLY 28 2HA GLY 28 -10.472 -5.768 -3.747 200 2HA GLY 28 3HA GLY 28 -11.810 -6.153 -2.657 201 H VAL 29 H VAL 29 -8.558 -5.190 -1.757 202 HA VAL 29 HA VAL 29 -9.359 -2.946 -0.102 203 HB VAL 29 HB VAL 29 -6.767 -2.445 -0.478 204 1HG1 VAL 29 1HG1 VAL 29 -6.119 -4.024 1.249 205 2HG1 VAL 29 2HG1 VAL 29 -7.626 -3.180 1.686 206 3HG1 VAL 29 3HG1 VAL 29 -7.672 -4.869 1.113 207 1HG2 VAL 29 1HG2 VAL 29 -5.430 -4.382 -0.952 208 2HG2 VAL 29 2HG2 VAL 29 -6.825 -5.436 -1.023 209 3HG2 VAL 29 3HG2 VAL 29 -6.560 -4.247 -2.317 210 H LYS 30 H LYS 30 -9.377 -0.722 -0.696 211 HA LYS 30 HA LYS 30 -8.906 -0.106 -3.588 212 1HB LYS 30 2HB LYS 30 -11.119 0.466 -3.167 213 2HB LYS 30 3HB LYS 30 -10.746 1.188 -1.609 214 1HG LYS 30 2HG LYS 30 -11.328 2.822 -3.311 215 2HG LYS 30 3HG LYS 30 -9.767 3.130 -2.594 216 1HD LYS 30 2HD LYS 30 -10.101 1.815 -5.359 217 2HD LYS 30 3HD LYS 30 -10.008 3.567 -5.086 218 1HE LYS 30 2HE LYS 30 -7.813 3.057 -3.815 219 2HE LYS 30 3HE LYS 30 -7.876 1.504 -4.725 220 1HZ LYS 30 1HZ LYS 30 -6.560 2.956 -5.799 221 2HZ LYS 30 2HZ LYS 30 -7.920 2.864 -6.742 222 3HZ LYS 30 3HZ LYS 30 -7.630 4.204 -5.805 223 H TYR 31 H TYR 31 -6.759 -0.122 -3.332 224 HA TYR 31 HA TYR 31 -5.434 1.789 -1.525 225 1HB TYR 31 2HB TYR 31 -3.360 0.730 -2.374 226 2HB TYR 31 3HB TYR 31 -4.464 -0.296 -1.460 227 HD1 TYR 31 HD1 TYR 31 -2.779 0.144 -4.642 228 HD2 TYR 31 HD2 TYR 31 -5.853 -2.033 -2.591 229 HE1 TYR 31 HE1 TYR 31 -3.170 -1.215 -6.668 230 HE2 TYR 31 HE2 TYR 31 -6.109 -3.540 -4.556 231 HH TYR 31 HH TYR 31 -4.062 -3.219 -7.447 232 H ASP 32 H ASP 32 -5.041 3.797 -2.217 233 HA ASP 32 HA ASP 32 -5.162 4.385 -5.128 234 1HB ASP 32 2HB ASP 32 -6.707 5.495 -3.133 235 2HB ASP 32 3HB ASP 32 -5.349 6.616 -3.167 236 H ILE 33 H ILE 33 -3.477 5.334 -6.115 237 HA ILE 33 HA ILE 33 -0.936 4.846 -4.666 238 HB ILE 33 HB ILE 33 -1.967 4.145 -7.438 239 1HG1 ILE 33 2HG1 ILE 33 -1.201 2.024 -5.459 240 2HG1 ILE 33 3HG1 ILE 33 -2.733 2.826 -5.167 241 1HG2 ILE 33 1HG2 ILE 33 0.417 4.463 -7.540 242 2HG2 ILE 33 2HG2 ILE 33 0.662 3.464 -6.088 243 3HG2 ILE 33 3HG2 ILE 33 0.069 2.728 -7.598 244 1HD1 ILE 33 1HD1 ILE 33 -3.504 1.157 -6.536 245 2HD1 ILE 33 2HD1 ILE 33 -3.295 2.431 -7.686 246 3HD1 ILE 33 3HD1 ILE 33 -2.051 1.150 -7.564 247 H ASP 34 H ASP 34 0.253 6.701 -4.637 248 HA ASP 34 HA ASP 34 0.258 8.499 -7.037 249 1HB ASP 34 2HB ASP 34 -0.274 9.545 -4.823 250 2HB ASP 34 3HB ASP 34 1.319 8.974 -4.273 251 H LEU 35 H LEU 35 1.747 7.565 -8.380 252 HA LEU 35 HA LEU 35 4.130 6.307 -7.456 253 1HB LEU 35 2HB LEU 35 2.582 6.352 -9.787 254 2HB LEU 35 3HB LEU 35 4.059 7.183 -10.275 255 HG LEU 35 HG LEU 35 4.074 4.530 -8.752 256 1HD1 LEU 35 1HD1 LEU 35 2.706 4.271 -10.750 257 2HD1 LEU 35 2HD1 LEU 35 4.023 4.911 -11.762 258 3HD1 LEU 35 3HD1 LEU 35 4.236 3.366 -10.896 259 1HD2 LEU 35 1HD2 LEU 35 6.168 5.852 -8.847 260 2HD2 LEU 35 2HD2 LEU 35 6.318 4.329 -9.747 261 3HD2 LEU 35 3HD2 LEU 35 6.082 5.865 -10.619 262 HA PRO 36 HA PRO 36 6.389 10.191 -9.152 263 1HB PRO 36 2HB PRO 36 5.106 12.659 -8.915 264 2HB PRO 36 3HB PRO 36 5.255 11.687 -10.404 265 1HG PRO 36 2HG PRO 36 2.943 11.791 -8.473 266 2HG PRO 36 3HG PRO 36 2.885 11.820 -10.256 267 1HD PRO 36 2HD PRO 36 2.388 9.579 -8.910 268 2HD PRO 36 3HD PRO 36 3.379 9.490 -10.388 269 H ASN 37 H ASN 37 4.077 10.588 -6.434 270 HA ASN 37 HA ASN 37 6.242 11.752 -4.750 271 1HB ASN 37 2HB ASN 37 3.355 11.113 -4.083 272 2HB ASN 37 3HB ASN 37 4.552 11.724 -2.953 273 1HD2 ASN 37 1HD2 ASN 37 2.195 12.749 -5.235 274 2HD2 ASN 37 2HD2 ASN 37 2.758 14.412 -5.360 275 H LYS 38 H LYS 38 4.777 8.628 -5.398 276 HA LYS 38 HA LYS 38 5.298 6.586 -4.948 277 1HB LYS 38 2HB LYS 38 7.606 7.549 -3.295 278 2HB LYS 38 3HB LYS 38 7.244 5.912 -3.778 279 1HG LYS 38 2HG LYS 38 9.002 6.504 -5.221 280 2HG LYS 38 3HG LYS 38 7.514 6.512 -6.170 281 1HD LYS 38 2HD LYS 38 8.774 8.290 -6.942 282 2HD LYS 38 3HD LYS 38 7.564 9.049 -5.957 283 1HE LYS 38 2HE LYS 38 10.508 8.585 -5.295 284 2HE LYS 38 3HE LYS 38 9.691 10.127 -5.604 285 1HZ LYS 38 1HZ LYS 38 9.979 9.922 -3.294 286 2HZ LYS 38 2HZ LYS 38 8.371 9.658 -3.560 287 3HZ LYS 38 3HZ LYS 38 9.366 8.397 -3.256 288 H LYS 39 H LYS 39 3.169 6.759 -3.818 289 HA LYS 39 HA LYS 39 3.348 6.230 -0.947 290 1HB LYS 39 2HB LYS 39 3.578 8.679 -1.130 291 2HB LYS 39 3HB LYS 39 2.118 8.780 -2.098 292 1HG LYS 39 2HG LYS 39 1.845 7.516 0.631 293 2HG LYS 39 3HG LYS 39 2.311 9.215 0.574 294 1HD LYS 39 2HD LYS 39 0.351 9.621 -1.012 295 2HD LYS 39 3HD LYS 39 -0.210 7.984 -0.608 296 1HE LYS 39 2HE LYS 39 -0.244 8.645 1.818 297 2HE LYS 39 3HE LYS 39 0.336 10.260 1.376 298 1HZ LYS 39 1HZ LYS 39 -1.973 10.352 1.650 299 2HZ LYS 39 2HZ LYS 39 -1.724 10.471 0.025 300 3HZ LYS 39 3HZ LYS 39 -2.253 9.056 0.709 301 H VAL 40 H VAL 40 1.407 5.367 -0.115 302 HA VAL 40 HA VAL 40 -0.731 4.771 -2.054 303 HB VAL 40 HB VAL 40 0.395 2.891 0.064 304 1HG1 VAL 40 1HG1 VAL 40 -1.522 2.448 -2.259 305 2HG1 VAL 40 2HG1 VAL 40 -0.933 1.191 -1.147 306 3HG1 VAL 40 3HG1 VAL 40 -1.953 2.512 -0.536 307 1HG2 VAL 40 1HG2 VAL 40 0.888 2.845 -2.938 308 2HG2 VAL 40 2HG2 VAL 40 2.097 3.155 -1.665 309 3HG2 VAL 40 3HG2 VAL 40 1.341 1.567 -1.785 310 H CYS 41 H CYS 41 -2.799 5.048 -1.073 311 HA CYS 41 HA CYS 41 -2.895 4.888 1.883 312 1HB CYS 41 2HB CYS 41 -4.312 6.981 0.187 313 2HB CYS 41 3HB CYS 41 -5.033 6.291 1.640 314 HG CYS 41 HG CYS 41 -4.195 8.284 2.620 315 H ILE 42 H ILE 42 -4.719 3.765 2.610 316 HA ILE 42 HA ILE 42 -6.059 2.287 0.438 317 HB ILE 42 HB ILE 42 -5.090 0.899 2.910 318 1HG1 ILE 42 2HG1 ILE 42 -3.600 1.186 0.272 319 2HG1 ILE 42 3HG1 ILE 42 -3.074 1.796 1.853 320 1HG2 ILE 42 1HG2 ILE 42 -6.864 -0.203 1.697 321 2HG2 ILE 42 2HG2 ILE 42 -6.072 0.071 0.142 322 3HG2 ILE 42 3HG2 ILE 42 -5.394 -1.085 1.271 323 1HD1 ILE 42 1HD1 ILE 42 -3.165 -1.106 1.065 324 2HD1 ILE 42 2HD1 ILE 42 -1.743 -0.097 1.266 325 3HD1 ILE 42 3HD1 ILE 42 -2.692 -0.496 2.668 326 H GLU 43 H GLU 43 -7.794 3.430 0.605 327 HA GLU 43 HA GLU 43 -9.436 3.764 2.977 328 1HB GLU 43 2HB GLU 43 -9.894 4.169 -0.015 329 2HB GLU 43 3HB GLU 43 -11.091 4.525 1.234 330 1HG GLU 43 2HG GLU 43 -10.011 6.580 0.662 331 2HG GLU 43 3HG GLU 43 -9.520 6.131 2.295 332 H SER 44 H SER 44 -9.820 1.711 3.809 333 HA SER 44 HA SER 44 -11.870 0.111 2.535 334 1HB SER 44 2HB SER 44 -9.073 -1.046 2.981 335 2HB SER 44 3HB SER 44 -10.522 -2.007 2.629 336 HG SER 44 HG SER 44 -10.313 0.009 0.858 337 H GLU 45 H GLU 45 -13.176 -0.224 4.273 338 HA GLU 45 HA GLU 45 -12.362 0.249 6.966 339 1HB GLU 45 2HB GLU 45 -14.680 -0.710 7.452 340 2HB GLU 45 3HB GLU 45 -14.564 0.792 6.539 341 1HG GLU 45 2HG GLU 45 -15.089 -0.310 4.451 342 2HG GLU 45 3HG GLU 45 -14.933 -1.913 5.205 343 H HIS 46 H HIS 46 -10.518 -1.107 6.939 344 HA HIS 46 HA HIS 46 -11.006 -3.988 7.597 345 1HB HIS 46 2HB HIS 46 -10.532 -3.554 5.155 346 2HB HIS 46 3HB HIS 46 -8.997 -2.816 5.630 347 HD1 HIS 46 1HD HIS 46 -10.693 -6.318 6.014 348 HD2 HIS 46 2HD HIS 46 -7.047 -4.369 5.349 349 HE1 HIS 46 1HE HIS 46 -8.942 -8.145 5.579 350 H SER 47 H SER 47 -8.790 -4.984 8.312 351 HA SER 47 HA SER 47 -7.920 -3.302 10.538 352 1HB SER 47 2HB SER 47 -8.525 -5.761 10.779 353 2HB SER 47 3HB SER 47 -6.986 -6.110 9.952 354 HG SER 47 HG SER 47 -6.000 -5.660 11.729 355 H MET 48 H MET 48 -5.987 -2.414 10.814 356 HA MET 48 HA MET 48 -4.530 -1.829 8.422 357 1HB MET 48 2HB MET 48 -3.347 -0.218 9.680 358 2HB MET 48 3HB MET 48 -5.021 -0.209 10.237 359 1HG MET 48 2HG MET 48 -3.816 -2.036 11.961 360 2HG MET 48 3HG MET 48 -2.525 -0.856 11.668 361 1HE MET 48 1HE MET 48 -4.267 2.362 13.168 362 2HE MET 48 2HE MET 48 -2.750 1.672 12.545 363 3HE MET 48 3HE MET 48 -4.161 1.835 11.473 364 H ASP 49 H ASP 49 -3.943 -4.036 11.115 365 HA ASP 49 HA ASP 49 -1.146 -4.422 10.832 366 1HB ASP 49 2HB ASP 49 -1.514 -6.396 12.157 367 2HB ASP 49 3HB ASP 49 -2.530 -5.104 12.799 368 H THR 50 H THR 50 -3.940 -6.052 9.567 369 HA THR 50 HA THR 50 -2.779 -8.132 8.122 370 HB THR 50 HB THR 50 -5.386 -6.658 7.485 371 HG1 THR 50 1HG THR 50 -5.013 -7.374 9.815 372 1HG2 THR 50 1HG2 THR 50 -6.156 -8.848 6.744 373 2HG2 THR 50 2HG2 THR 50 -4.650 -8.472 5.881 374 3HG2 THR 50 3HG2 THR 50 -4.631 -9.607 7.243 375 H LEU 51 H LEU 51 -3.725 -4.813 7.046 376 HA LEU 51 HA LEU 51 -2.636 -5.145 4.391 377 1HB LEU 51 2HB LEU 51 -3.083 -2.615 6.037 378 2HB LEU 51 3HB LEU 51 -2.527 -2.672 4.364 379 HG LEU 51 HG LEU 51 -5.249 -3.092 5.481 380 1HD1 LEU 51 1HD1 LEU 51 -5.827 -1.915 3.408 381 2HD1 LEU 51 2HD1 LEU 51 -4.396 -1.102 4.072 382 3HD1 LEU 51 3HD1 LEU 51 -4.202 -2.248 2.744 383 1HD2 LEU 51 1HD2 LEU 51 -5.974 -4.359 3.443 384 2HD2 LEU 51 2HD2 LEU 51 -4.284 -4.605 2.992 385 3HD2 LEU 51 3HD2 LEU 51 -4.945 -5.341 4.478 386 H LEU 52 H LEU 52 -1.237 -3.697 7.392 387 HA LEU 52 HA LEU 52 1.171 -2.878 6.342 388 1HB LEU 52 2HB LEU 52 0.352 -3.873 9.059 389 2HB LEU 52 3HB LEU 52 2.046 -3.974 8.619 390 HG LEU 52 HG LEU 52 1.834 -1.456 7.920 391 1HD1 LEU 52 1HD1 LEU 52 0.152 -0.230 9.257 392 2HD1 LEU 52 2HD1 LEU 52 -0.642 -1.331 8.126 393 3HD1 LEU 52 3HD1 LEU 52 -0.513 -1.751 9.852 394 1HD2 LEU 52 1HD2 LEU 52 1.805 -2.304 10.821 395 2HD2 LEU 52 2HD2 LEU 52 3.216 -2.243 9.735 396 3HD2 LEU 52 3HD2 LEU 52 2.384 -0.746 10.178 397 H ALA 53 H ALA 53 0.599 -6.150 7.768 398 HA ALA 53 HA ALA 53 3.100 -7.232 7.103 399 1HB ALA 53 1HB ALA 53 0.379 -8.623 7.128 400 2HB ALA 53 2HB ALA 53 1.961 -9.432 7.204 401 3HB ALA 53 3HB ALA 53 1.443 -8.367 8.526 402 H THR 54 H THR 54 0.104 -7.198 5.128 403 HA THR 54 HA THR 54 1.187 -8.673 2.961 404 HB THR 54 HB THR 54 -1.196 -6.773 3.101 405 HG1 THR 54 1HG THR 54 -1.594 -8.309 4.547 406 1HG2 THR 54 1HG2 THR 54 -0.781 -7.283 0.794 407 2HG2 THR 54 2HG2 THR 54 -0.476 -9.002 1.162 408 3HG2 THR 54 3HG2 THR 54 -2.105 -8.319 1.349 409 H LEU 55 H LEU 55 1.118 -5.153 3.593 410 HA LEU 55 HA LEU 55 2.087 -4.529 0.962 411 1HB LEU 55 2HB LEU 55 0.910 -3.191 3.200 412 2HB LEU 55 3HB LEU 55 2.464 -2.389 2.846 413 HG LEU 55 HG LEU 55 -0.050 -2.657 1.251 414 1HD1 LEU 55 1HD1 LEU 55 1.715 -0.382 2.294 415 2HD1 LEU 55 2HD1 LEU 55 0.374 -0.109 1.198 416 3HD1 LEU 55 3HD1 LEU 55 0.072 -0.818 2.806 417 1HD2 LEU 55 1HD2 LEU 55 2.700 -1.909 0.206 418 2HD2 LEU 55 2HD2 LEU 55 1.513 -3.065 -0.469 419 3HD2 LEU 55 3HD2 LEU 55 1.180 -1.332 -0.530 420 H LYS 56 H LYS 56 3.592 -4.644 4.288 421 HA LYS 56 HA LYS 56 6.230 -4.063 3.613 422 1HB LYS 56 2HB LYS 56 4.887 -5.773 5.717 423 2HB LYS 56 3HB LYS 56 6.609 -5.909 5.437 424 1HG LYS 56 2HG LYS 56 6.548 -4.495 7.091 425 2HG LYS 56 3HG LYS 56 6.839 -3.377 5.768 426 1HD LYS 56 2HD LYS 56 4.131 -3.926 7.067 427 2HD LYS 56 3HD LYS 56 5.246 -2.803 7.778 428 1HE LYS 56 2HE LYS 56 4.485 -2.353 4.882 429 2HE LYS 56 3HE LYS 56 3.320 -1.968 6.147 430 1HZ LYS 56 1HZ LYS 56 5.988 -0.761 5.843 431 2HZ LYS 56 2HZ LYS 56 4.559 -0.011 5.776 432 3HZ LYS 56 3HZ LYS 56 5.072 -0.607 7.205 433 H LYS 57 H LYS 57 4.457 -7.190 3.211 434 HA LYS 57 HA LYS 57 6.708 -8.649 2.366 435 1HB LYS 57 2HB LYS 57 3.761 -8.973 1.774 436 2HB LYS 57 3HB LYS 57 4.972 -10.073 1.102 437 1HG LYS 57 2HG LYS 57 5.848 -10.554 3.338 438 2HG LYS 57 3HG LYS 57 4.637 -9.540 4.086 439 1HD LYS 57 2HD LYS 57 4.108 -12.048 2.410 440 2HD LYS 57 3HD LYS 57 4.149 -11.975 4.182 441 1HE LYS 57 2HE LYS 57 2.295 -10.258 4.098 442 2HE LYS 57 3HE LYS 57 2.167 -10.561 2.345 443 1HZ LYS 57 1HZ LYS 57 1.597 -12.830 2.861 444 2HZ LYS 57 2HZ LYS 57 1.716 -12.537 4.480 445 3HZ LYS 57 3HZ LYS 57 0.559 -11.783 3.591 446 H THR 58 H THR 58 5.394 -5.986 0.550 447 HA THR 58 HA THR 58 6.377 -6.875 -2.043 448 HB THR 58 HB THR 58 6.531 -4.503 -2.595 449 HG1 THR 58 1HG THR 58 5.679 -3.908 0.038 450 1HG2 THR 58 1HG2 THR 58 4.175 -3.877 -2.177 451 2HG2 THR 58 2HG2 THR 58 4.339 -5.560 -2.731 452 3HG2 THR 58 3HG2 THR 58 4.055 -5.200 -1.010 453 H GLY 59 H GLY 59 7.744 -5.363 0.836 454 1HA GLY 59 2HA GLY 59 9.833 -4.889 1.478 455 2HA GLY 59 3HA GLY 59 10.462 -6.126 0.360 456 H LYS 60 H LYS 60 8.634 -3.067 -0.194 457 HA LYS 60 HA LYS 60 11.078 -1.822 -1.396 458 1HB LYS 60 2HB LYS 60 8.323 -0.614 -1.318 459 2HB LYS 60 3HB LYS 60 9.696 -0.175 -2.310 460 1HG LYS 60 2HG LYS 60 7.651 -2.308 -2.739 461 2HG LYS 60 3HG LYS 60 8.288 -1.104 -3.853 462 1HD LYS 60 2HD LYS 60 9.470 -3.783 -3.080 463 2HD LYS 60 3HD LYS 60 8.962 -3.213 -4.654 464 1HE LYS 60 2HE LYS 60 10.983 -2.397 -5.162 465 2HE LYS 60 3HE LYS 60 11.074 -1.448 -3.691 466 1HZ LYS 60 1HZ LYS 60 11.790 -3.538 -2.558 467 2HZ LYS 60 2HZ LYS 60 11.809 -4.284 -4.015 468 3HZ LYS 60 3HZ LYS 60 12.827 -3.022 -3.735 469 H THR 61 H THR 61 10.885 0.691 -0.643 470 HA THR 61 HA THR 61 11.253 0.722 2.152 471 HB THR 61 HB THR 61 10.894 3.086 0.398 472 HG1 THR 61 1HG THR 61 12.735 2.592 -0.673 473 1HG2 THR 61 1HG2 THR 61 12.824 3.981 1.675 474 2HG2 THR 61 2HG2 THR 61 11.513 3.508 2.772 475 3HG2 THR 61 3HG2 THR 61 12.935 2.456 2.579 476 H VAL 62 H VAL 62 8.831 -0.279 2.157 477 HA VAL 62 HA VAL 62 6.738 1.762 2.085 478 HB VAL 62 HB VAL 62 6.174 -0.158 1.007 479 1HG1 VAL 62 1HG1 VAL 62 5.921 -2.374 2.059 480 2HG1 VAL 62 2HG1 VAL 62 7.602 -1.886 1.924 481 3HG1 VAL 62 3HG1 VAL 62 6.785 -1.791 3.498 482 1HG2 VAL 62 1HG2 VAL 62 4.092 -0.734 1.981 483 2HG2 VAL 62 2HG2 VAL 62 4.646 -0.347 3.615 484 3HG2 VAL 62 3HG2 VAL 62 4.405 0.948 2.443 485 H SER 63 H SER 63 6.739 3.088 3.643 486 HA SER 63 HA SER 63 7.234 2.542 6.469 487 1HB SER 63 2HB SER 63 6.585 4.908 6.756 488 2HB SER 63 3HB SER 63 7.675 4.759 5.373 489 HG SER 63 HG SER 63 5.815 4.700 4.033 490 H TYR 64 H TYR 64 5.329 3.651 7.942 491 HA TYR 64 HA TYR 64 2.730 3.078 6.822 492 1HB TYR 64 2HB TYR 64 3.080 1.131 8.299 493 2HB TYR 64 3HB TYR 64 3.517 2.207 9.631 494 HD1 TYR 64 HD1 TYR 64 1.810 2.092 11.272 495 HD2 TYR 64 HD2 TYR 64 0.698 2.303 7.110 496 HE1 TYR 64 HE1 TYR 64 -0.549 2.482 11.898 497 HE2 TYR 64 HE2 TYR 64 -1.607 2.753 7.739 498 HH TYR 64 HH TYR 64 -2.731 3.783 9.571 499 H LEU 65 H LEU 65 1.492 4.813 7.058 500 HA LEU 65 HA LEU 65 2.168 7.070 8.859 501 1HB LEU 65 2HB LEU 65 0.974 7.007 6.104 502 2HB LEU 65 3HB LEU 65 0.653 8.313 7.249 503 HG LEU 65 HG LEU 65 3.332 8.281 7.524 504 1HD1 LEU 65 1HD1 LEU 65 3.625 6.352 5.935 505 2HD1 LEU 65 2HD1 LEU 65 2.886 7.364 4.668 506 3HD1 LEU 65 3HD1 LEU 65 4.436 7.835 5.409 507 1HD2 LEU 65 1HD2 LEU 65 3.384 10.040 5.806 508 2HD2 LEU 65 2HD2 LEU 65 1.769 9.520 5.251 509 3HD2 LEU 65 3HD2 LEU 65 1.986 10.163 6.900 510 H GLY 66 H GLY 66 -0.407 8.202 8.922 511 1HA GLY 66 2HA GLY 66 -1.310 6.712 11.184 512 2HA GLY 66 3HA GLY 66 -2.026 8.160 10.467 513 H LEU 67 H LEU 67 -4.063 7.328 10.990 514 HA LEU 67 HA LEU 67 -5.238 5.466 9.076 515 1HB LEU 67 2HB LEU 67 -4.809 4.198 11.247 516 2HB LEU 67 3HB LEU 67 -5.723 5.452 12.086 517 HG LEU 67 HG LEU 67 -7.555 4.745 10.184 518 1HD1 LEU 67 1HD1 LEU 67 -7.609 2.473 9.702 519 2HD1 LEU 67 2HD1 LEU 67 -5.932 2.938 9.393 520 3HD1 LEU 67 3HD1 LEU 67 -6.346 2.073 10.888 521 1HD2 LEU 67 1HD2 LEU 67 -7.237 3.348 12.838 522 2HD2 LEU 67 2HD2 LEU 67 -8.020 4.927 12.544 523 3HD2 LEU 67 3HD2 LEU 67 -8.699 3.469 11.824 524 H GLU 68 H GLU 68 -7.394 6.152 8.629 525 HA GLU 68 HA GLU 68 -8.803 7.919 10.356 526 1HB GLU 68 2HB GLU 68 -7.383 9.569 9.019 527 2HB GLU 68 3HB GLU 68 -8.196 9.007 7.572 528 1HG GLU 68 2HG GLU 68 -10.404 9.739 8.780 529 2HG GLU 68 3HG GLU 68 -9.348 10.487 9.979 Start of MODEL 19 1 1H MET 1 H1 MET 1 -13.717 1.478 5.845 2 2H MET 1 H2 MET 1 -14.331 1.819 4.455 3 3H MET 1 H3 MET 1 -12.786 2.380 4.783 4 HA MET 1 HA MET 1 -14.729 3.999 4.904 5 1HB MET 1 2HB MET 1 -16.188 2.574 6.176 6 2HB MET 1 3HB MET 1 -15.086 2.525 7.550 7 1HG MET 1 2HG MET 1 -16.255 5.117 6.472 8 2HG MET 1 3HG MET 1 -17.081 4.122 7.676 9 1HE MET 1 1HE MET 1 -16.280 7.262 7.931 10 2HE MET 1 2HE MET 1 -17.268 6.371 9.119 11 3HE MET 1 3HE MET 1 -15.843 7.293 9.655 12 HA PRO 2 HA PRO 2 -11.287 5.637 7.801 13 1HB PRO 2 2HB PRO 2 -9.359 3.853 8.543 14 2HB PRO 2 3HB PRO 2 -10.723 4.305 9.622 15 1HG PRO 2 2HG PRO 2 -10.456 1.876 7.814 16 2HG PRO 2 3HG PRO 2 -11.005 1.908 9.517 17 1HD PRO 2 2HD PRO 2 -12.771 1.803 7.516 18 2HD PRO 2 3HD PRO 2 -13.092 2.874 8.902 19 H LYS 3 H LYS 3 -9.029 5.966 7.162 20 HA LYS 3 HA LYS 3 -8.208 4.665 4.609 21 1HB LYS 3 2HB LYS 3 -9.034 6.952 4.264 22 2HB LYS 3 3HB LYS 3 -7.994 7.554 5.534 23 1HG LYS 3 2HG LYS 3 -6.445 6.136 3.429 24 2HG LYS 3 3HG LYS 3 -7.473 7.411 2.767 25 1HD LYS 3 2HD LYS 3 -6.630 9.003 4.462 26 2HD LYS 3 3HD LYS 3 -5.478 7.771 5.035 27 1HE LYS 3 2HE LYS 3 -4.363 7.776 2.849 28 2HE LYS 3 3HE LYS 3 -5.545 8.934 2.210 29 1HZ LYS 3 1HZ LYS 3 -3.393 9.956 3.050 30 2HZ LYS 3 2HZ LYS 3 -4.781 10.556 3.822 31 3HZ LYS 3 3HZ LYS 3 -3.859 9.527 4.558 32 H HIS 4 H HIS 4 -6.065 4.039 4.551 33 HA HIS 4 HA HIS 4 -4.337 4.626 6.923 34 1HB HIS 4 2HB HIS 4 -4.406 1.934 5.511 35 2HB HIS 4 3HB HIS 4 -3.536 2.399 6.966 36 HD1 HIS 4 1HD HIS 4 -6.294 3.796 8.281 37 HD2 HIS 4 2HD HIS 4 -5.741 -0.062 6.704 38 HE1 HIS 4 1HE HIS 4 -7.954 2.233 9.480 39 H GLU 5 H GLU 5 -2.642 5.771 6.185 40 HA GLU 5 HA GLU 5 -1.966 5.602 3.301 41 1HB GLU 5 2HB GLU 5 -2.518 7.815 4.253 42 2HB GLU 5 3HB GLU 5 -1.153 7.706 5.345 43 1HG GLU 5 2HG GLU 5 0.404 7.621 3.426 44 2HG GLU 5 3HG GLU 5 -0.953 7.543 2.296 45 H PHE 6 H PHE 6 0.054 5.078 2.631 46 HA PHE 6 HA PHE 6 2.123 4.404 4.630 47 1HB PHE 6 2HB PHE 6 1.462 2.677 2.236 48 2HB PHE 6 3HB PHE 6 2.684 2.356 3.454 49 HD1 PHE 6 1HD PHE 6 -0.984 2.605 2.794 50 HD2 PHE 6 2HD PHE 6 2.030 1.354 5.602 51 HE1 PHE 6 1HE PHE 6 -2.708 1.467 4.128 52 HE2 PHE 6 2HE PHE 6 0.270 0.231 6.962 53 HZ PHE 6 HZ PHE 6 -2.088 0.259 6.219 54 H SER 7 H SER 7 4.114 4.996 4.055 55 HA SER 7 HA SER 7 4.484 6.526 1.501 56 1HB SER 7 2HB SER 7 5.137 7.811 3.382 57 2HB SER 7 3HB SER 7 6.089 6.482 4.085 58 HG SER 7 HG SER 7 7.370 8.027 2.915 59 H VAL 8 H VAL 8 5.527 5.446 -0.082 60 HA VAL 8 HA VAL 8 6.740 2.796 0.550 61 HB VAL 8 HB VAL 8 4.519 3.269 -1.450 62 1HG1 VAL 8 1HG1 VAL 8 6.112 1.554 -2.238 63 2HG1 VAL 8 2HG1 VAL 8 6.043 0.738 -0.674 64 3HG1 VAL 8 3HG1 VAL 8 4.609 0.789 -1.719 65 1HG2 VAL 8 1HG2 VAL 8 3.521 3.217 0.738 66 2HG2 VAL 8 2HG2 VAL 8 3.333 1.564 0.131 67 3HG2 VAL 8 3HG2 VAL 8 4.614 1.937 1.282 68 H ASP 9 H ASP 9 8.638 2.700 -0.449 69 HA ASP 9 HA ASP 9 9.492 4.432 -2.548 70 1HB ASP 9 2HB ASP 9 11.190 3.272 -1.366 71 2HB ASP 9 3HB ASP 9 10.485 1.684 -1.755 72 H MET 10 H MET 10 7.628 4.505 -3.925 73 HA MET 10 HA MET 10 7.648 2.343 -5.953 74 1HB MET 10 2HB MET 10 5.645 4.603 -5.654 75 2HB MET 10 3HB MET 10 5.589 3.259 -6.819 76 1HG MET 10 2HG MET 10 5.584 1.673 -4.831 77 2HG MET 10 3HG MET 10 5.309 3.096 -3.814 78 1HE MET 10 1HE MET 10 3.308 4.738 -5.933 79 2HE MET 10 2HE MET 10 1.824 4.324 -5.050 80 3HE MET 10 3HE MET 10 3.307 4.721 -4.151 81 H THR 11 H THR 11 9.798 3.006 -6.545 82 HA THR 11 HA THR 11 10.224 5.681 -7.523 83 HB THR 11 HB THR 11 11.964 4.359 -6.447 84 HG1 THR 11 1HG THR 11 13.577 4.961 -7.884 85 1HG2 THR 11 1HG2 THR 11 12.028 2.686 -9.002 86 2HG2 THR 11 2HG2 THR 11 13.203 2.631 -7.676 87 3HG2 THR 11 3HG2 THR 11 11.540 2.114 -7.390 88 H CYS 12 HN CYS 12 9.136 2.667 -9.086 89 HA CYS 12 HA CYS 12 8.680 4.241 -11.536 90 1HB CYS 12 2HB CYS 12 9.602 2.593 -12.995 91 2HB CYS 12 3HB CYS 12 10.847 2.979 -11.811 92 H GLY 13 H GLY 13 7.173 3.095 -12.967 93 1HA GLY 13 2HA GLY 13 4.749 2.395 -11.819 94 2HA GLY 13 3HA GLY 13 5.264 1.933 -13.448 95 H GLY 14 H GLY 14 7.527 0.287 -12.525 96 1HA GLY 14 2HA GLY 14 6.283 -2.228 -12.297 97 2HA GLY 14 3HA GLY 14 7.988 -1.846 -11.942 98 H CYS 15 HN CYS 15 7.519 0.034 -9.783 99 HA CYS 15 HA CYS 15 7.204 -1.842 -7.593 100 1HB CYS 15 2HB CYS 15 7.203 1.174 -7.678 101 2HB CYS 15 3HB CYS 15 7.301 0.169 -6.215 102 H ALA 16 H ALA 16 5.180 0.762 -9.047 103 HA ALA 16 HA ALA 16 2.993 0.535 -7.245 104 1HB ALA 16 1HB ALA 16 3.104 2.418 -8.723 105 2HB ALA 16 2HB ALA 16 3.046 1.379 -10.168 106 3HB ALA 16 3HB ALA 16 1.639 1.495 -9.108 107 H GLU 17 H GLU 17 3.574 -1.168 -10.380 108 HA GLU 17 HA GLU 17 1.337 -2.806 -10.444 109 1HB GLU 17 2HB GLU 17 2.971 -2.407 -12.207 110 2HB GLU 17 3HB GLU 17 4.232 -3.243 -11.304 111 1HG GLU 17 2HG GLU 17 1.676 -4.620 -12.211 112 2HG GLU 17 3HG GLU 17 3.169 -4.421 -13.156 113 H ALA 18 H ALA 18 4.577 -3.491 -8.945 114 HA ALA 18 HA ALA 18 3.865 -6.002 -7.883 115 1HB ALA 18 1HB ALA 18 6.194 -5.117 -8.002 116 2HB ALA 18 2HB ALA 18 5.797 -3.952 -6.715 117 3HB ALA 18 3HB ALA 18 5.781 -5.690 -6.366 118 H VAL 19 H VAL 19 3.621 -2.753 -6.291 119 HA VAL 19 HA VAL 19 2.670 -3.643 -3.811 120 HB VAL 19 HB VAL 19 2.196 -1.106 -5.429 121 1HG1 VAL 19 1HG1 VAL 19 1.522 -0.073 -3.339 122 2HG1 VAL 19 2HG1 VAL 19 0.457 -1.444 -3.677 123 3HG1 VAL 19 3HG1 VAL 19 1.744 -1.648 -2.490 124 1HG2 VAL 19 1HG2 VAL 19 3.961 -1.311 -2.981 125 2HG2 VAL 19 2HG2 VAL 19 4.622 -1.801 -4.541 126 3HG2 VAL 19 3HG2 VAL 19 4.013 -0.157 -4.307 127 H SER 20 H SER 20 0.940 -2.772 -6.830 128 HA SER 20 HA SER 20 -1.704 -3.262 -5.874 129 1HB SER 20 2HB SER 20 -0.368 -3.034 -8.565 130 2HB SER 20 3HB SER 20 -1.988 -3.749 -8.496 131 HG SER 20 HG SER 20 -1.320 -1.313 -7.233 132 H ARG 21 H ARG 21 0.557 -5.508 -7.608 133 HA ARG 21 HA ARG 21 -1.137 -7.722 -7.554 134 1HB ARG 21 2HB ARG 21 0.497 -8.587 -8.670 135 2HB ARG 21 3HB ARG 21 1.400 -7.118 -8.519 136 1HG ARG 21 2HG ARG 21 2.686 -7.954 -6.676 137 2HG ARG 21 3HG ARG 21 1.659 -9.376 -6.493 138 1HD ARG 21 2HD ARG 21 2.758 -10.521 -8.076 139 2HD ARG 21 3HD ARG 21 2.646 -9.226 -9.244 140 HE ARG 21 HE ARG 21 4.812 -9.715 -7.254 141 1HH1 ARG 21 2HH2 ARG 21 3.627 -7.616 -9.959 142 2HH1 ARG 21 1HH2 ARG 21 5.123 -7.040 -10.380 143 1HH2 ARG 21 2HH1 ARG 21 6.907 -8.850 -7.797 144 2HH2 ARG 21 1HH1 ARG 21 7.044 -7.729 -9.120 145 H VAL 22 H VAL 22 1.089 -6.493 -4.982 146 HA VAL 22 HA VAL 22 0.894 -8.776 -3.310 147 HB VAL 22 HB VAL 22 1.906 -5.918 -3.284 148 1HG1 VAL 22 1HG1 VAL 22 0.948 -5.866 -1.263 149 2HG1 VAL 22 2HG1 VAL 22 1.400 -7.558 -0.864 150 3HG1 VAL 22 3HG1 VAL 22 2.646 -6.276 -0.944 151 1HG2 VAL 22 1HG2 VAL 22 3.993 -6.932 -2.850 152 2HG2 VAL 22 2HG2 VAL 22 3.243 -8.537 -2.601 153 3HG2 VAL 22 3HG2 VAL 22 3.240 -7.782 -4.211 154 H LEU 23 H LEU 23 -0.647 -5.530 -3.279 155 HA LEU 23 HA LEU 23 -2.294 -6.053 -1.021 156 1HB LEU 23 2HB LEU 23 -2.072 -3.960 -3.104 157 2HB LEU 23 3HB LEU 23 -3.672 -4.090 -2.481 158 HG LEU 23 HG LEU 23 -1.205 -3.931 -0.701 159 1HD1 LEU 23 1HD1 LEU 23 -3.015 -1.678 -1.691 160 2HD1 LEU 23 2HD1 LEU 23 -1.659 -1.530 -0.554 161 3HD1 LEU 23 3HD1 LEU 23 -1.343 -1.966 -2.229 162 1HD2 LEU 23 1HD2 LEU 23 -2.827 -3.352 1.027 163 2HD2 LEU 23 2HD2 LEU 23 -4.109 -3.175 -0.200 164 3HD2 LEU 23 3HD2 LEU 23 -3.488 -4.773 0.214 165 H ASN 24 H ASN 24 -2.914 -6.476 -4.554 166 HA ASN 24 HA ASN 24 -5.581 -7.328 -4.368 167 1HB ASN 24 2HB ASN 24 -4.596 -7.071 -6.553 168 2HB ASN 24 3HB ASN 24 -3.330 -8.260 -6.194 169 1HD2 ASN 24 1HD2 ASN 24 -6.926 -8.191 -5.773 170 2HD2 ASN 24 2HD2 ASN 24 -7.132 -9.808 -6.410 171 H LYS 25 H LYS 25 -2.606 -9.130 -3.608 172 HA LYS 25 HA LYS 25 -3.972 -11.626 -3.203 173 1HB LYS 25 2HB LYS 25 -1.235 -10.695 -3.071 174 2HB LYS 25 3HB LYS 25 -1.648 -11.505 -1.571 175 1HG LYS 25 2HG LYS 25 -0.935 -13.292 -2.831 176 2HG LYS 25 3HG LYS 25 -2.646 -13.398 -3.175 177 1HD LYS 25 2HD LYS 25 -0.386 -12.243 -4.868 178 2HD LYS 25 3HD LYS 25 -1.301 -13.702 -5.220 179 1HE LYS 25 2HE LYS 25 -2.350 -10.832 -5.343 180 2HE LYS 25 3HE LYS 25 -1.831 -11.784 -6.718 181 1HZ LYS 25 1HZ LYS 25 -4.191 -11.695 -6.441 182 2HZ LYS 25 2HZ LYS 25 -3.658 -13.258 -6.369 183 3HZ LYS 25 3HZ LYS 25 -4.118 -12.466 -4.995 184 H LEU 26 H LEU 26 -3.623 -8.857 -1.075 185 HA LEU 26 HA LEU 26 -4.728 -10.155 1.289 186 1HB LEU 26 2HB LEU 26 -3.731 -7.990 1.541 187 2HB LEU 26 3HB LEU 26 -4.775 -7.262 0.337 188 HG LEU 26 HG LEU 26 -5.351 -6.438 2.357 189 1HD1 LEU 26 1HD1 LEU 26 -7.220 -7.187 0.783 190 2HD1 LEU 26 2HD1 LEU 26 -7.596 -8.411 2.026 191 3HD1 LEU 26 3HD1 LEU 26 -7.601 -6.695 2.447 192 1HD2 LEU 26 1HD2 LEU 26 -4.416 -8.103 3.839 193 2HD2 LEU 26 2HD2 LEU 26 -6.099 -7.696 4.262 194 3HD2 LEU 26 3HD2 LEU 26 -5.733 -9.239 3.431 195 H GLY 27 H GLY 27 -6.149 -8.336 -1.475 196 1HA GLY 27 2HA GLY 27 -7.912 -9.609 -2.701 197 2HA GLY 27 3HA GLY 27 -8.677 -9.950 -1.161 198 H GLY 28 H GLY 28 -9.796 -8.342 -0.009 199 1HA GLY 28 2HA GLY 28 -11.348 -6.820 -1.916 200 2HA GLY 28 3HA GLY 28 -11.666 -7.045 -0.190 201 H VAL 29 H VAL 29 -8.945 -5.581 -1.970 202 HA VAL 29 HA VAL 29 -9.169 -3.133 -0.236 203 HB VAL 29 HB VAL 29 -6.723 -2.856 -0.808 204 1HG1 VAL 29 1HG1 VAL 29 -7.259 -3.564 1.359 205 2HG1 VAL 29 2HG1 VAL 29 -7.820 -5.143 0.811 206 3HG1 VAL 29 3HG1 VAL 29 -6.082 -4.786 0.809 207 1HG2 VAL 29 1HG2 VAL 29 -5.462 -4.789 -1.488 208 2HG2 VAL 29 2HG2 VAL 29 -6.900 -5.781 -1.672 209 3HG2 VAL 29 3HG2 VAL 29 -6.618 -4.408 -2.773 210 H LYS 30 H LYS 30 -8.794 -1.056 -1.128 211 HA LYS 30 HA LYS 30 -8.069 -0.906 -3.882 212 1HB LYS 30 2HB LYS 30 -10.795 -0.586 -3.375 213 2HB LYS 30 3HB LYS 30 -10.213 1.071 -3.282 214 1HG LYS 30 2HG LYS 30 -9.829 -0.887 -5.607 215 2HG LYS 30 3HG LYS 30 -11.014 0.406 -5.495 216 1HD LYS 30 2HD LYS 30 -9.580 1.663 -6.640 217 2HD LYS 30 3HD LYS 30 -8.721 1.877 -5.124 218 1HE LYS 30 2HE LYS 30 -7.260 -0.142 -5.801 219 2HE LYS 30 3HE LYS 30 -8.170 -0.213 -7.308 220 1HZ LYS 30 1HZ LYS 30 -6.506 2.062 -6.417 221 2HZ LYS 30 2HZ LYS 30 -6.112 0.975 -7.574 222 3HZ LYS 30 3HZ LYS 30 -7.363 2.013 -7.819 223 H TYR 31 H TYR 31 -6.894 1.049 -4.190 224 HA TYR 31 HA TYR 31 -6.554 2.845 -1.968 225 1HB TYR 31 2HB TYR 31 -4.263 2.315 -1.569 226 2HB TYR 31 3HB TYR 31 -5.097 0.765 -1.529 227 HD1 TYR 31 HD1 TYR 31 -2.272 2.439 -2.637 228 HD2 TYR 31 HD2 TYR 31 -5.083 -0.592 -3.856 229 HE1 TYR 31 HE1 TYR 31 -0.485 1.261 -3.849 230 HE2 TYR 31 HE2 TYR 31 -3.363 -1.560 -5.360 231 HH TYR 31 HH TYR 31 -0.040 -0.206 -5.540 232 H ASP 32 H ASP 32 -5.121 4.645 -2.619 233 HA ASP 32 HA ASP 32 -4.936 4.928 -5.586 234 1HB ASP 32 2HB ASP 32 -6.185 6.747 -4.449 235 2HB ASP 32 3HB ASP 32 -4.727 7.138 -3.516 236 H ILE 33 H ILE 33 -2.983 5.782 -6.414 237 HA ILE 33 HA ILE 33 -0.538 4.678 -5.083 238 HB ILE 33 HB ILE 33 -1.784 4.286 -7.818 239 1HG1 ILE 33 2HG1 ILE 33 -0.595 2.264 -5.886 240 2HG1 ILE 33 3HG1 ILE 33 -2.311 2.757 -5.821 241 1HG2 ILE 33 1HG2 ILE 33 1.042 3.433 -7.097 242 2HG2 ILE 33 2HG2 ILE 33 0.156 3.097 -8.598 243 3HG2 ILE 33 3HG2 ILE 33 0.621 4.746 -8.221 244 1HD1 ILE 33 1HD1 ILE 33 -2.504 2.126 -8.299 245 2HD1 ILE 33 2HD1 ILE 33 -0.993 1.212 -8.063 246 3HD1 ILE 33 3HD1 ILE 33 -2.447 0.820 -7.127 247 H ASP 34 H ASP 34 0.431 6.629 -4.639 248 HA ASP 34 HA ASP 34 0.691 8.597 -6.880 249 1HB ASP 34 2HB ASP 34 0.051 9.485 -4.649 250 2HB ASP 34 3HB ASP 34 1.635 8.930 -4.059 251 H LEU 35 H LEU 35 2.157 7.828 -8.201 252 HA LEU 35 HA LEU 35 4.551 6.351 -7.397 253 1HB LEU 35 2HB LEU 35 3.368 7.355 -9.971 254 2HB LEU 35 3HB LEU 35 5.107 7.072 -9.913 255 HG LEU 35 HG LEU 35 3.202 4.939 -8.903 256 1HD1 LEU 35 1HD1 LEU 35 3.976 5.329 -11.825 257 2HD1 LEU 35 2HD1 LEU 35 3.102 3.940 -11.145 258 3HD1 LEU 35 3HD1 LEU 35 2.347 5.543 -11.141 259 1HD2 LEU 35 1HD2 LEU 35 5.018 3.419 -9.639 260 2HD2 LEU 35 2HD2 LEU 35 5.898 4.782 -10.347 261 3HD2 LEU 35 3HD2 LEU 35 5.689 4.681 -8.595 262 HA PRO 36 HA PRO 36 6.871 10.333 -8.670 263 1HB PRO 36 2HB PRO 36 5.551 12.789 -8.518 264 2HB PRO 36 3HB PRO 36 5.825 11.825 -9.996 265 1HG PRO 36 2HG PRO 36 3.368 11.865 -8.243 266 2HG PRO 36 3HG PRO 36 3.444 11.962 -10.026 267 1HD PRO 36 2HD PRO 36 2.884 9.661 -8.827 268 2HD PRO 36 3HD PRO 36 4.030 9.650 -10.197 269 H ASN 37 H ASN 37 4.385 10.500 -6.151 270 HA ASN 37 HA ASN 37 6.412 11.624 -4.242 271 1HB ASN 37 2HB ASN 37 3.427 11.483 -3.824 272 2HB ASN 37 3HB ASN 37 4.621 12.274 -2.827 273 1HD2 ASN 37 1HD2 ASN 37 2.398 12.832 -5.309 274 2HD2 ASN 37 2HD2 ASN 37 3.035 14.389 -5.850 275 H LYS 38 H LYS 38 5.639 8.577 -5.170 276 HA LYS 38 HA LYS 38 5.855 6.540 -4.104 277 1HB LYS 38 2HB LYS 38 7.748 8.414 -2.615 278 2HB LYS 38 3HB LYS 38 7.690 6.731 -2.216 279 1HG LYS 38 2HG LYS 38 9.014 6.176 -3.890 280 2HG LYS 38 3HG LYS 38 7.883 6.817 -5.074 281 1HD LYS 38 2HD LYS 38 10.013 8.452 -3.610 282 2HD LYS 38 3HD LYS 38 10.201 7.720 -5.221 283 1HE LYS 38 2HE LYS 38 8.155 8.951 -5.986 284 2HE LYS 38 3HE LYS 38 8.106 9.797 -4.428 285 1HZ LYS 38 1HZ LYS 38 10.235 9.999 -6.433 286 2HZ LYS 38 2HZ LYS 38 9.016 11.069 -6.107 287 3HZ LYS 38 3HZ LYS 38 10.195 10.798 -4.976 288 H LYS 39 H LYS 39 3.397 7.046 -3.507 289 HA LYS 39 HA LYS 39 3.172 6.453 -0.634 290 1HB LYS 39 2HB LYS 39 2.231 9.005 -1.970 291 2HB LYS 39 3HB LYS 39 1.173 8.246 -0.786 292 1HG LYS 39 2HG LYS 39 3.082 8.266 0.853 293 2HG LYS 39 3HG LYS 39 4.010 9.236 -0.320 294 1HD LYS 39 2HD LYS 39 2.139 10.917 -0.327 295 2HD LYS 39 3HD LYS 39 1.254 9.899 0.829 296 1HE LYS 39 2HE LYS 39 3.275 10.130 2.398 297 2HE LYS 39 3HE LYS 39 3.856 11.413 1.315 298 1HZ LYS 39 1HZ LYS 39 1.688 12.521 1.761 299 2HZ LYS 39 2HZ LYS 39 1.307 11.290 2.786 300 3HZ LYS 39 3HZ LYS 39 2.553 12.281 3.153 301 H VAL 40 H VAL 40 1.261 5.616 0.016 302 HA VAL 40 HA VAL 40 -0.480 4.348 -2.057 303 HB VAL 40 HB VAL 40 1.248 3.259 0.178 304 1HG1 VAL 40 1HG1 VAL 40 0.368 1.086 0.009 305 2HG1 VAL 40 2HG1 VAL 40 -0.981 2.148 0.400 306 3HG1 VAL 40 3HG1 VAL 40 -0.778 1.531 -1.251 307 1HG2 VAL 40 1HG2 VAL 40 2.371 3.436 -1.915 308 2HG2 VAL 40 2HG2 VAL 40 2.021 1.721 -1.651 309 3HG2 VAL 40 3HG2 VAL 40 1.032 2.664 -2.785 310 H CYS 41 H CYS 41 -2.505 5.096 -1.549 311 HA CYS 41 HA CYS 41 -3.241 5.573 1.354 312 1HB CYS 41 2HB CYS 41 -4.195 6.800 -1.266 313 2HB CYS 41 3HB CYS 41 -5.050 7.007 0.272 314 HG CYS 41 HG CYS 41 -3.660 9.147 -0.401 315 H ILE 42 H ILE 42 -4.069 3.646 2.047 316 HA ILE 42 HA ILE 42 -5.821 2.263 0.132 317 HB ILE 42 HB ILE 42 -4.861 1.111 2.764 318 1HG1 ILE 42 2HG1 ILE 42 -3.419 0.967 0.089 319 2HG1 ILE 42 3HG1 ILE 42 -2.888 1.765 1.575 320 1HG2 ILE 42 1HG2 ILE 42 -5.341 -1.048 1.325 321 2HG2 ILE 42 2HG2 ILE 42 -6.718 -0.074 1.848 322 3HG2 ILE 42 3HG2 ILE 42 -6.108 0.029 0.200 323 1HD1 ILE 42 1HD1 ILE 42 -3.168 -1.220 1.258 324 2HD1 ILE 42 2HD1 ILE 42 -1.674 -0.302 1.220 325 3HD1 ILE 42 3HD1 ILE 42 -2.585 -0.385 2.707 326 H GLU 43 H GLU 43 -7.972 1.971 0.437 327 HA GLU 43 HA GLU 43 -9.200 2.757 3.043 328 1HB GLU 43 2HB GLU 43 -9.809 3.854 0.278 329 2HB GLU 43 3HB GLU 43 -11.060 3.758 1.522 330 1HG GLU 43 2HG GLU 43 -9.839 5.140 3.044 331 2HG GLU 43 3HG GLU 43 -8.400 5.140 2.001 332 H SER 44 H SER 44 -9.898 0.780 3.683 333 HA SER 44 HA SER 44 -12.181 -0.201 2.322 334 1HB SER 44 2HB SER 44 -10.366 -1.483 1.086 335 2HB SER 44 3HB SER 44 -9.930 -2.233 2.628 336 HG SER 44 HG SER 44 -11.558 -3.396 1.305 337 H GLU 45 H GLU 45 -12.865 -2.286 3.632 338 HA GLU 45 HA GLU 45 -12.712 -1.538 6.510 339 1HB GLU 45 2HB GLU 45 -14.387 -3.796 5.406 340 2HB GLU 45 3HB GLU 45 -14.618 -2.802 6.849 341 1HG GLU 45 2HG GLU 45 -15.171 -2.127 3.946 342 2HG GLU 45 3HG GLU 45 -16.282 -2.078 5.315 343 H HIS 46 H HIS 46 -10.315 -2.121 5.866 344 HA HIS 46 HA HIS 46 -9.779 -4.836 6.989 345 1HB HIS 46 2HB HIS 46 -8.607 -3.598 4.477 346 2HB HIS 46 3HB HIS 46 -7.742 -4.814 5.423 347 HD1 HIS 46 1HD HIS 46 -8.930 -7.289 5.583 348 HD2 HIS 46 2HD HIS 46 -10.136 -4.587 2.609 349 HE1 HIS 46 1HE HIS 46 -9.888 -8.678 3.678 350 H SER 47 H SER 47 -8.501 -4.583 8.770 351 HA SER 47 HA SER 47 -7.692 -2.064 9.707 352 1HB SER 47 2HB SER 47 -6.335 -3.689 11.264 353 2HB SER 47 3HB SER 47 -8.099 -3.605 11.328 354 HG SER 47 HG SER 47 -6.545 -5.587 10.037 355 H MET 48 H MET 48 -5.930 -0.916 9.541 356 HA MET 48 HA MET 48 -3.897 -0.914 7.840 357 1HB MET 48 2HB MET 48 -2.570 0.318 9.474 358 2HB MET 48 3HB MET 48 -4.269 0.814 9.495 359 1HG MET 48 2HG MET 48 -4.581 -0.830 11.421 360 2HG MET 48 3HG MET 48 -2.813 -0.902 11.528 361 1HE MET 48 1HE MET 48 -2.851 -0.291 14.017 362 2HE MET 48 2HE MET 48 -3.744 1.095 14.691 363 3HE MET 48 3HE MET 48 -4.627 -0.270 13.962 364 H ASP 49 H ASP 49 -3.827 -2.897 10.832 365 HA ASP 49 HA ASP 49 -1.239 -3.866 10.671 366 1HB ASP 49 2HB ASP 49 -3.647 -5.484 11.632 367 2HB ASP 49 3HB ASP 49 -1.988 -5.519 12.234 368 H THR 50 H THR 50 -4.229 -5.488 9.550 369 HA THR 50 HA THR 50 -3.106 -7.674 8.264 370 HB THR 50 HB THR 50 -5.666 -6.299 7.357 371 HG1 THR 50 1HG THR 50 -6.554 -7.416 9.268 372 1HG2 THR 50 1HG2 THR 50 -4.977 -8.504 6.349 373 2HG2 THR 50 2HG2 THR 50 -4.999 -9.218 7.973 374 3HG2 THR 50 3HG2 THR 50 -6.500 -8.601 7.251 375 H LEU 51 H LEU 51 -4.009 -4.443 6.978 376 HA LEU 51 HA LEU 51 -3.300 -4.919 4.240 377 1HB LEU 51 2HB LEU 51 -3.116 -2.340 5.867 378 2HB LEU 51 3HB LEU 51 -2.877 -2.504 4.130 379 HG LEU 51 HG LEU 51 -5.448 -2.771 5.720 380 1HD1 LEU 51 1HD1 LEU 51 -4.529 -1.311 3.232 381 2HD1 LEU 51 2HD1 LEU 51 -6.111 -1.067 4.021 382 3HD1 LEU 51 3HD1 LEU 51 -4.594 -0.571 4.823 383 1HD2 LEU 51 1HD2 LEU 51 -5.560 -4.710 4.233 384 2HD2 LEU 51 2HD2 LEU 51 -6.534 -3.409 3.543 385 3HD2 LEU 51 3HD2 LEU 51 -4.932 -3.748 2.869 386 H LEU 52 H LEU 52 -1.389 -3.290 6.781 387 HA LEU 52 HA LEU 52 0.937 -2.864 5.485 388 1HB LEU 52 2HB LEU 52 0.219 -2.069 7.665 389 2HB LEU 52 3HB LEU 52 0.604 -3.661 8.345 390 HG LEU 52 HG LEU 52 2.968 -3.303 7.998 391 1HD1 LEU 52 1HD1 LEU 52 3.724 -1.079 6.887 392 2HD1 LEU 52 2HD1 LEU 52 3.103 -2.318 5.782 393 3HD1 LEU 52 3HD1 LEU 52 2.075 -0.967 6.262 394 1HD2 LEU 52 1HD2 LEU 52 3.251 -1.158 9.250 395 2HD2 LEU 52 2HD2 LEU 52 1.573 -0.730 8.819 396 3HD2 LEU 52 3HD2 LEU 52 1.887 -2.119 9.876 397 H ALA 53 H ALA 53 0.067 -5.783 7.421 398 HA ALA 53 HA ALA 53 2.455 -7.247 7.079 399 1HB ALA 53 1HB ALA 53 0.640 -7.874 8.641 400 2HB ALA 53 2HB ALA 53 -0.419 -8.274 7.271 401 3HB ALA 53 3HB ALA 53 1.052 -9.227 7.568 402 H THR 54 H THR 54 -0.396 -6.998 4.841 403 HA THR 54 HA THR 54 0.890 -8.829 2.966 404 HB THR 54 HB THR 54 -1.614 -7.145 2.875 405 HG1 THR 54 1HG THR 54 -1.880 -9.080 3.796 406 1HG2 THR 54 1HG2 THR 54 -0.221 -8.571 0.572 407 2HG2 THR 54 2HG2 THR 54 -1.922 -8.161 0.552 408 3HG2 THR 54 3HG2 THR 54 -0.727 -6.871 0.671 409 H LEU 55 H LEU 55 0.647 -5.287 3.343 410 HA LEU 55 HA LEU 55 1.695 -4.604 0.796 411 1HB LEU 55 2HB LEU 55 1.211 -3.354 3.411 412 2HB LEU 55 3HB LEU 55 2.549 -2.611 2.521 413 HG LEU 55 HG LEU 55 -0.303 -2.739 1.593 414 1HD1 LEU 55 1HD1 LEU 55 0.238 -0.151 2.005 415 2HD1 LEU 55 2HD1 LEU 55 -0.136 -1.195 3.393 416 3HD1 LEU 55 3HD1 LEU 55 1.528 -0.741 3.008 417 1HD2 LEU 55 1HD2 LEU 55 0.527 -1.165 -0.141 418 2HD2 LEU 55 2HD2 LEU 55 2.197 -1.433 0.397 419 3HD2 LEU 55 3HD2 LEU 55 1.256 -2.756 -0.335 420 H LYS 56 H LYS 56 3.331 -5.288 3.919 421 HA LYS 56 HA LYS 56 5.981 -4.871 3.272 422 1HB LYS 56 2HB LYS 56 4.411 -6.432 5.234 423 2HB LYS 56 3HB LYS 56 5.908 -7.225 4.826 424 1HG LYS 56 2HG LYS 56 6.233 -5.843 6.685 425 2HG LYS 56 3HG LYS 56 7.195 -5.190 5.344 426 1HD LYS 56 2HD LYS 56 5.319 -3.437 5.038 427 2HD LYS 56 3HD LYS 56 4.519 -4.191 6.415 428 1HE LYS 56 2HE LYS 56 5.610 -2.325 7.374 429 2HE LYS 56 3HE LYS 56 6.609 -3.710 7.805 430 1HZ LYS 56 1HZ LYS 56 7.999 -1.981 7.089 431 2HZ LYS 56 2HZ LYS 56 8.015 -3.051 5.843 432 3HZ LYS 56 3HZ LYS 56 7.144 -1.647 5.752 433 H LYS 57 H LYS 57 3.946 -7.424 1.924 434 HA LYS 57 HA LYS 57 6.060 -9.208 1.184 435 1HB LYS 57 2HB LYS 57 3.372 -8.746 -0.127 436 2HB LYS 57 3HB LYS 57 4.432 -10.119 -0.431 437 1HG LYS 57 2HG LYS 57 4.155 -11.003 1.776 438 2HG LYS 57 3HG LYS 57 3.403 -9.518 2.373 439 1HD LYS 57 2HD LYS 57 1.522 -9.829 0.814 440 2HD LYS 57 3HD LYS 57 2.189 -11.372 0.277 441 1HE LYS 57 2HE LYS 57 1.761 -12.436 2.340 442 2HE LYS 57 3HE LYS 57 1.680 -10.928 3.248 443 1HZ LYS 57 1HZ LYS 57 -0.368 -11.747 1.288 444 2HZ LYS 57 2HZ LYS 57 -0.473 -11.979 2.907 445 3HZ LYS 57 3HZ LYS 57 -0.465 -10.461 2.318 446 H THR 58 H THR 58 5.209 -6.051 -0.092 447 HA THR 58 HA THR 58 6.521 -6.156 -2.675 448 HB THR 58 HB THR 58 6.992 -3.781 -2.240 449 HG1 THR 58 1HG THR 58 5.662 -4.045 0.228 450 1HG2 THR 58 1HG2 THR 58 4.843 -4.290 -3.141 451 2HG2 THR 58 2HG2 THR 58 4.201 -4.731 -1.547 452 3HG2 THR 58 3HG2 THR 58 4.642 -3.053 -1.870 453 H GLY 59 H GLY 59 7.631 -5.909 0.656 454 1HA GLY 59 2HA GLY 59 9.544 -6.119 1.661 455 2HA GLY 59 3HA GLY 59 10.186 -7.072 0.294 456 H LYS 60 H LYS 60 9.061 -3.667 0.527 457 HA LYS 60 HA LYS 60 11.789 -2.649 -0.129 458 1HB LYS 60 2HB LYS 60 9.133 -1.463 -0.988 459 2HB LYS 60 3HB LYS 60 10.750 -1.029 -1.526 460 1HG LYS 60 2HG LYS 60 10.939 -3.442 -2.488 461 2HG LYS 60 3HG LYS 60 9.216 -3.567 -2.144 462 1HD LYS 60 2HD LYS 60 9.314 -2.989 -4.410 463 2HD LYS 60 3HD LYS 60 8.819 -1.525 -3.553 464 1HE LYS 60 2HE LYS 60 11.642 -1.353 -3.524 465 2HE LYS 60 3HE LYS 60 11.338 -2.089 -5.092 466 1HZ LYS 60 1HZ LYS 60 9.887 0.335 -4.245 467 2HZ LYS 60 2HZ LYS 60 11.399 0.458 -4.729 468 3HZ LYS 60 3HZ LYS 60 10.233 -0.141 -5.776 469 H THR 61 H THR 61 11.547 -0.076 0.250 470 HA THR 61 HA THR 61 10.965 0.407 2.963 471 HB THR 61 HB THR 61 11.215 2.435 0.815 472 HG1 THR 61 1HG THR 61 13.469 2.132 0.962 473 1HG2 THR 61 1HG2 THR 61 10.856 3.285 3.125 474 2HG2 THR 61 2HG2 THR 61 12.273 2.364 3.677 475 3HG2 THR 61 3HG2 THR 61 12.472 3.709 2.535 476 H VAL 62 H VAL 62 8.782 -0.545 2.836 477 HA VAL 62 HA VAL 62 6.699 1.553 2.372 478 HB VAL 62 HB VAL 62 5.880 -0.296 1.302 479 1HG1 VAL 62 1HG1 VAL 62 6.777 -2.071 3.586 480 2HG1 VAL 62 2HG1 VAL 62 5.694 -2.565 2.271 481 3HG1 VAL 62 3HG1 VAL 62 7.353 -2.081 1.903 482 1HG2 VAL 62 1HG2 VAL 62 3.902 -0.823 2.429 483 2HG2 VAL 62 2HG2 VAL 62 4.650 -0.748 4.036 484 3HG2 VAL 62 3HG2 VAL 62 4.355 0.738 3.121 485 H SER 63 H SER 63 6.314 2.794 4.047 486 HA SER 63 HA SER 63 6.362 1.632 6.793 487 1HB SER 63 2HB SER 63 8.345 3.135 6.359 488 2HB SER 63 3HB SER 63 7.198 4.466 6.077 489 HG SER 63 HG SER 63 7.874 4.365 8.277 490 H TYR 64 H TYR 64 4.956 2.774 8.242 491 HA TYR 64 HA TYR 64 2.306 3.224 6.976 492 1HB TYR 64 2HB TYR 64 2.294 1.418 8.478 493 2HB TYR 64 3HB TYR 64 3.341 2.225 9.634 494 HD1 TYR 64 HD1 TYR 64 -0.176 1.944 8.475 495 HD2 TYR 64 HD2 TYR 64 2.525 3.802 11.276 496 HE1 TYR 64 HE1 TYR 64 -2.091 2.625 9.868 497 HE2 TYR 64 HE2 TYR 64 0.593 4.503 12.660 498 HH TYR 64 HH TYR 64 -2.772 3.808 11.702 499 H LEU 65 H LEU 65 1.162 5.080 7.228 500 HA LEU 65 HA LEU 65 2.149 7.169 9.113 501 1HB LEU 65 2HB LEU 65 0.674 7.466 6.503 502 2HB LEU 65 3HB LEU 65 0.801 8.716 7.746 503 HG LEU 65 HG LEU 65 3.420 8.149 7.608 504 1HD1 LEU 65 1HD1 LEU 65 4.098 7.685 5.317 505 2HD1 LEU 65 2HD1 LEU 65 3.204 6.316 5.967 506 3HD1 LEU 65 3HD1 LEU 65 2.401 7.424 4.828 507 1HD2 LEU 65 1HD2 LEU 65 3.632 9.963 5.970 508 2HD2 LEU 65 2HD2 LEU 65 1.888 9.825 5.609 509 3HD2 LEU 65 3HD2 LEU 65 2.430 10.300 7.242 510 H GLY 66 H GLY 66 0.129 8.419 9.924 511 1HA GLY 66 2HA GLY 66 -1.045 6.678 11.688 512 2HA GLY 66 3HA GLY 66 -1.597 8.330 11.396 513 H LEU 67 H LEU 67 -3.363 6.598 12.301 514 HA LEU 67 HA LEU 67 -5.057 5.397 10.270 515 1HB LEU 67 2HB LEU 67 -4.904 4.608 12.595 516 2HB LEU 67 3HB LEU 67 -5.376 6.186 13.214 517 HG LEU 67 HG LEU 67 -7.068 4.434 13.364 518 1HD1 LEU 67 1HD1 LEU 67 -7.700 6.875 13.294 519 2HD1 LEU 67 2HD1 LEU 67 -8.161 6.644 11.592 520 3HD1 LEU 67 3HD1 LEU 67 -8.977 5.728 12.855 521 1HD2 LEU 67 1HD2 LEU 67 -8.319 3.656 11.439 522 2HD2 LEU 67 2HD2 LEU 67 -7.332 4.637 10.341 523 3HD2 LEU 67 3HD2 LEU 67 -6.594 3.281 11.234 524 H GLU 68 H GLU 68 -6.681 6.533 9.105 525 HA GLU 68 HA GLU 68 -7.127 9.392 9.727 526 1HB GLU 68 2HB GLU 68 -5.124 8.744 8.170 527 2HB GLU 68 3HB GLU 68 -6.372 8.240 7.034 528 1HG GLU 68 2HG GLU 68 -7.223 10.592 7.008 529 2HG GLU 68 3HG GLU 68 -5.946 11.052 8.153 Start of MODEL 20 1 1H MET 1 H1 MET 1 -11.321 7.949 7.750 2 2H MET 1 H2 MET 1 -12.623 8.853 7.850 3 3H MET 1 H3 MET 1 -12.275 7.692 9.007 4 HA MET 1 HA MET 1 -13.995 6.758 7.549 5 1HB MET 1 2HB MET 1 -11.706 6.939 5.539 6 2HB MET 1 3HB MET 1 -13.218 6.066 5.281 7 1HG MET 1 2HG MET 1 -13.376 8.057 4.081 8 2HG MET 1 3HG MET 1 -14.529 8.096 5.419 9 1HE MET 1 1HE MET 1 -14.954 10.663 4.973 10 2HE MET 1 2HE MET 1 -13.645 11.864 4.862 11 3HE MET 1 3HE MET 1 -13.800 10.604 3.615 12 HA PRO 2 HA PRO 2 -10.511 3.675 8.428 13 1HB PRO 2 2HB PRO 2 -11.154 1.271 7.436 14 2HB PRO 2 3HB PRO 2 -12.232 2.085 8.599 15 1HG PRO 2 2HG PRO 2 -12.624 1.755 5.648 16 2HG PRO 2 3HG PRO 2 -13.840 1.864 6.946 17 1HD PRO 2 2HD PRO 2 -12.754 3.938 5.241 18 2HD PRO 2 3HD PRO 2 -14.034 4.128 6.482 19 H LYS 3 H LYS 3 -9.016 5.031 7.142 20 HA LYS 3 HA LYS 3 -7.884 3.338 5.033 21 1HB LYS 3 2HB LYS 3 -6.692 5.454 4.092 22 2HB LYS 3 3HB LYS 3 -8.355 5.177 3.615 23 1HG LYS 3 2HG LYS 3 -9.181 6.660 5.186 24 2HG LYS 3 3HG LYS 3 -7.561 7.042 5.851 25 1HD LYS 3 2HD LYS 3 -6.853 7.927 3.632 26 2HD LYS 3 3HD LYS 3 -8.417 7.473 2.938 27 1HE LYS 3 2HE LYS 3 -7.854 9.658 4.975 28 2HE LYS 3 3HE LYS 3 -8.557 9.817 3.359 29 1HZ LYS 3 1HZ LYS 3 -10.480 8.552 4.177 30 2HZ LYS 3 2HZ LYS 3 -9.787 8.484 5.678 31 3HZ LYS 3 3HZ LYS 3 -10.208 9.928 5.159 32 H HIS 4 H HIS 4 -5.803 3.219 4.813 33 HA HIS 4 HA HIS 4 -4.158 3.704 7.250 34 1HB HIS 4 2HB HIS 4 -4.340 1.130 5.622 35 2HB HIS 4 3HB HIS 4 -3.513 1.372 7.160 36 HD1 HIS 4 1HD HIS 4 -6.517 -0.315 6.092 37 HD2 HIS 4 2HD HIS 4 -5.666 2.639 8.971 38 HE1 HIS 4 1HE HIS 4 -8.492 -0.251 7.682 39 H GLU 5 H GLU 5 -2.690 5.132 6.447 40 HA GLU 5 HA GLU 5 -2.050 5.104 3.582 41 1HB GLU 5 2HB GLU 5 -1.452 7.089 5.798 42 2HB GLU 5 3HB GLU 5 -0.884 7.245 4.146 43 1HG GLU 5 2HG GLU 5 -3.512 7.005 3.632 44 2HG GLU 5 3HG GLU 5 -3.651 7.560 5.307 45 H PHE 6 H PHE 6 -0.039 4.781 2.688 46 HA PHE 6 HA PHE 6 2.258 4.145 4.471 47 1HB PHE 6 2HB PHE 6 1.289 2.555 2.105 48 2HB PHE 6 3HB PHE 6 2.826 2.326 2.930 49 HD1 PHE 6 1HD PHE 6 -0.895 2.278 3.533 50 HD2 PHE 6 2HD PHE 6 2.964 0.879 4.879 51 HE1 PHE 6 1HE PHE 6 -1.984 0.686 5.072 52 HE2 PHE 6 2HE PHE 6 1.887 -0.839 6.175 53 HZ PHE 6 HZ PHE 6 -0.622 -0.950 6.340 54 H SER 7 H SER 7 4.128 4.987 3.901 55 HA SER 7 HA SER 7 4.402 6.474 1.330 56 1HB SER 7 2HB SER 7 5.171 7.662 3.286 57 2HB SER 7 3HB SER 7 6.189 6.293 3.793 58 HG SER 7 HG SER 7 7.435 7.799 2.653 59 H VAL 8 H VAL 8 5.519 5.466 -0.291 60 HA VAL 8 HA VAL 8 6.902 2.890 0.229 61 HB VAL 8 HB VAL 8 4.616 3.116 -1.759 62 1HG1 VAL 8 1HG1 VAL 8 4.869 0.686 -1.929 63 2HG1 VAL 8 2HG1 VAL 8 6.421 1.460 -2.285 64 3HG1 VAL 8 3HG1 VAL 8 6.154 0.705 -0.706 65 1HG2 VAL 8 1HG2 VAL 8 3.438 1.470 -0.168 66 2HG2 VAL 8 2HG2 VAL 8 4.661 1.898 1.030 67 3HG2 VAL 8 3HG2 VAL 8 3.540 3.135 0.421 68 H ASP 9 H ASP 9 8.753 3.315 -0.679 69 HA ASP 9 HA ASP 9 9.505 5.113 -2.685 70 1HB ASP 9 2HB ASP 9 11.614 3.673 -2.545 71 2HB ASP 9 3HB ASP 9 11.083 4.510 -1.088 72 H MET 10 H MET 10 7.552 4.300 -4.067 73 HA MET 10 HA MET 10 8.093 2.047 -5.784 74 1HB MET 10 2HB MET 10 6.111 4.348 -5.939 75 2HB MET 10 3HB MET 10 6.149 2.997 -7.089 76 1HG MET 10 2HG MET 10 5.768 1.387 -5.283 77 2HG MET 10 3HG MET 10 5.702 2.693 -4.101 78 1HE MET 10 1HE MET 10 2.345 4.472 -4.996 79 2HE MET 10 2HE MET 10 3.761 4.450 -3.914 80 3HE MET 10 3HE MET 10 3.943 4.911 -5.626 81 H THR 11 H THR 11 10.252 2.585 -6.366 82 HA THR 11 HA THR 11 10.866 5.093 -7.601 83 HB THR 11 HB THR 11 12.476 3.806 -6.277 84 HG1 THR 11 1HG THR 11 13.065 4.512 -8.938 85 1HG2 THR 11 1HG2 THR 11 13.705 1.931 -7.272 86 2HG2 THR 11 2HG2 THR 11 11.997 1.506 -7.073 87 3HG2 THR 11 3HG2 THR 11 12.629 1.923 -8.680 88 H CYS 12 HN CYS 12 9.212 2.476 -9.042 89 HA CYS 12 HA CYS 12 9.344 3.880 -11.528 90 1HB CYS 12 2HB CYS 12 10.039 2.071 -12.950 91 2HB CYS 12 3HB CYS 12 11.305 2.307 -11.752 92 H GLY 13 H GLY 13 7.679 2.908 -12.999 93 1HA GLY 13 2HA GLY 13 5.159 2.505 -11.918 94 2HA GLY 13 3HA GLY 13 5.681 1.892 -13.496 95 H GLY 14 H GLY 14 7.633 0.068 -12.741 96 1HA GLY 14 2HA GLY 14 6.234 -2.263 -12.335 97 2HA GLY 14 3HA GLY 14 7.976 -2.054 -12.041 98 H CYS 15 HN CYS 15 7.683 -0.138 -9.816 99 HA CYS 15 HA CYS 15 7.295 -2.057 -7.665 100 1HB CYS 15 2HB CYS 15 7.545 0.954 -7.659 101 2HB CYS 15 3HB CYS 15 7.481 -0.080 -6.216 102 H ALA 16 H ALA 16 5.349 0.615 -9.094 103 HA ALA 16 HA ALA 16 3.216 0.436 -7.159 104 1HB ALA 16 1HB ALA 16 1.895 1.667 -8.841 105 2HB ALA 16 2HB ALA 16 3.462 2.424 -8.515 106 3HB ALA 16 3HB ALA 16 3.205 1.498 -10.014 107 H GLU 17 H GLU 17 3.748 -1.065 -10.373 108 HA GLU 17 HA GLU 17 1.377 -2.594 -10.511 109 1HB GLU 17 2HB GLU 17 4.196 -3.262 -11.448 110 2HB GLU 17 3HB GLU 17 2.748 -4.135 -11.942 111 1HG GLU 17 2HG GLU 17 1.883 -2.274 -13.142 112 2HG GLU 17 3HG GLU 17 3.001 -1.132 -12.392 113 H ALA 18 H ALA 18 4.568 -3.479 -9.067 114 HA ALA 18 HA ALA 18 3.785 -6.019 -8.110 115 1HB ALA 18 1HB ALA 18 5.731 -5.834 -6.600 116 2HB ALA 18 2HB ALA 18 6.148 -5.238 -8.226 117 3HB ALA 18 3HB ALA 18 5.821 -4.092 -6.907 118 H VAL 19 H VAL 19 3.739 -2.851 -6.375 119 HA VAL 19 HA VAL 19 2.729 -3.774 -3.948 120 HB VAL 19 HB VAL 19 2.401 -1.156 -5.482 121 1HG1 VAL 19 1HG1 VAL 19 1.796 -0.296 -3.165 122 2HG1 VAL 19 2HG1 VAL 19 0.562 -1.266 -3.977 123 3HG1 VAL 19 3HG1 VAL 19 1.586 -2.017 -2.720 124 1HG2 VAL 19 1HG2 VAL 19 4.041 -1.489 -2.968 125 2HG2 VAL 19 2HG2 VAL 19 4.751 -1.970 -4.513 126 3HG2 VAL 19 3HG2 VAL 19 4.187 -0.308 -4.264 127 H SER 20 H SER 20 1.048 -2.659 -6.900 128 HA SER 20 HA SER 20 -1.554 -2.897 -5.926 129 1HB SER 20 2HB SER 20 -0.720 -1.886 -8.152 130 2HB SER 20 3HB SER 20 -0.731 -3.502 -8.825 131 HG SER 20 HG SER 20 -3.042 -2.557 -7.522 132 H ARG 21 H ARG 21 0.386 -5.253 -7.717 133 HA ARG 21 HA ARG 21 -1.416 -7.395 -7.702 134 1HB ARG 21 2HB ARG 21 0.197 -8.285 -8.848 135 2HB ARG 21 3HB ARG 21 1.267 -6.967 -8.473 136 1HG ARG 21 2HG ARG 21 2.330 -8.137 -6.692 137 2HG ARG 21 3HG ARG 21 1.090 -9.390 -6.642 138 1HD ARG 21 2HD ARG 21 3.082 -10.255 -7.790 139 2HD ARG 21 3HD ARG 21 1.696 -10.190 -8.855 140 HE ARG 21 HE ARG 21 2.629 -8.548 -10.155 141 1HH1 ARG 21 2HH2 ARG 21 4.642 -8.977 -7.299 142 2HH1 ARG 21 1HH2 ARG 21 6.051 -8.213 -7.971 143 1HH2 ARG 21 2HH1 ARG 21 4.441 -7.434 -11.055 144 2HH2 ARG 21 1HH1 ARG 21 5.896 -7.252 -10.142 145 H VAL 22 H VAL 22 0.902 -6.442 -5.082 146 HA VAL 22 HA VAL 22 0.449 -8.742 -3.474 147 HB VAL 22 HB VAL 22 1.806 -6.046 -3.378 148 1HG1 VAL 22 1HG1 VAL 22 1.037 -7.573 -0.930 149 2HG1 VAL 22 2HG1 VAL 22 2.435 -6.472 -1.018 150 3HG1 VAL 22 3HG1 VAL 22 0.817 -5.845 -1.390 151 1HG2 VAL 22 1HG2 VAL 22 2.766 -8.816 -2.675 152 2HG2 VAL 22 2HG2 VAL 22 2.933 -8.022 -4.264 153 3HG2 VAL 22 3HG2 VAL 22 3.729 -7.320 -2.843 154 H LEU 23 H LEU 23 -0.764 -5.367 -3.375 155 HA LEU 23 HA LEU 23 -2.423 -5.787 -1.109 156 1HB LEU 23 2HB LEU 23 -1.997 -3.646 -3.085 157 2HB LEU 23 3HB LEU 23 -3.652 -3.702 -2.580 158 HG LEU 23 HG LEU 23 -1.260 -3.675 -0.685 159 1HD1 LEU 23 1HD1 LEU 23 -1.752 -1.256 -0.420 160 2HD1 LEU 23 2HD1 LEU 23 -1.347 -1.615 -2.110 161 3HD1 LEU 23 3HD1 LEU 23 -3.037 -1.375 -1.630 162 1HD2 LEU 23 1HD2 LEU 23 -3.488 -4.519 0.236 163 2HD2 LEU 23 2HD2 LEU 23 -2.928 -3.014 0.988 164 3HD2 LEU 23 3HD2 LEU 23 -4.178 -2.972 -0.279 165 H ASN 24 H ASN 24 -2.989 -6.139 -4.636 166 HA ASN 24 HA ASN 24 -5.789 -6.595 -4.503 167 1HB ASN 24 2HB ASN 24 -4.601 -6.153 -6.606 168 2HB ASN 24 3HB ASN 24 -3.774 -7.712 -6.489 169 1HD2 ASN 24 1HD2 ASN 24 -6.981 -8.255 -5.329 170 2HD2 ASN 24 2HD2 ASN 24 -7.642 -8.713 -6.881 171 H LYS 25 H LYS 25 -2.988 -8.884 -4.310 172 HA LYS 25 HA LYS 25 -4.377 -11.254 -4.206 173 1HB LYS 25 2HB LYS 25 -1.830 -10.767 -4.063 174 2HB LYS 25 3HB LYS 25 -2.050 -10.761 -2.313 175 1HG LYS 25 2HG LYS 25 -3.076 -13.040 -2.444 176 2HG LYS 25 3HG LYS 25 -2.829 -13.035 -4.200 177 1HD LYS 25 2HD LYS 25 -0.379 -12.836 -3.858 178 2HD LYS 25 3HD LYS 25 -0.629 -12.852 -2.096 179 1HE LYS 25 2HE LYS 25 -1.692 -15.109 -2.270 180 2HE LYS 25 3HE LYS 25 -1.450 -15.092 -4.024 181 1HZ LYS 25 1HZ LYS 25 0.919 -15.049 -3.636 182 2HZ LYS 25 2HZ LYS 25 0.693 -15.065 -2.003 183 3HZ LYS 25 3HZ LYS 25 0.233 -16.353 -2.912 184 H LEU 26 H LEU 26 -3.763 -9.091 -1.470 185 HA LEU 26 HA LEU 26 -4.981 -10.483 0.651 186 1HB LEU 26 2HB LEU 26 -3.761 -8.583 1.112 187 2HB LEU 26 3HB LEU 26 -4.603 -7.589 -0.036 188 HG LEU 26 HG LEU 26 -5.063 -6.733 2.014 189 1HD1 LEU 26 1HD1 LEU 26 -7.668 -8.160 1.506 190 2HD1 LEU 26 2HD1 LEU 26 -7.329 -6.582 2.174 191 3HD1 LEU 26 3HD1 LEU 26 -7.030 -6.880 0.439 192 1HD2 LEU 26 1HD2 LEU 26 -6.132 -9.408 2.954 193 2HD2 LEU 26 2HD2 LEU 26 -4.589 -8.660 3.446 194 3HD2 LEU 26 3HD2 LEU 26 -6.131 -7.852 3.838 195 H GLY 27 H GLY 27 -6.573 -8.484 -1.876 196 1HA GLY 27 2HA GLY 27 -8.515 -9.620 -2.769 197 2HA GLY 27 3HA GLY 27 -9.188 -9.776 -1.153 198 H GLY 28 H GLY 28 -10.032 -7.838 -0.073 199 1HA GLY 28 2HA GLY 28 -11.616 -6.525 -2.118 200 2HA GLY 28 3HA GLY 28 -11.903 -6.571 -0.378 201 H VAL 29 H VAL 29 -8.781 -5.465 -1.024 202 HA VAL 29 HA VAL 29 -9.301 -2.873 0.058 203 HB VAL 29 HB VAL 29 -6.872 -2.484 -0.577 204 1HG1 VAL 29 1HG1 VAL 29 -7.293 -3.287 1.614 205 2HG1 VAL 29 2HG1 VAL 29 -7.776 -4.871 1.033 206 3HG1 VAL 29 3HG1 VAL 29 -6.071 -4.416 0.980 207 1HG2 VAL 29 1HG2 VAL 29 -6.913 -5.410 -1.453 208 2HG2 VAL 29 2HG2 VAL 29 -6.869 -4.051 -2.583 209 3HG2 VAL 29 3HG2 VAL 29 -5.558 -4.287 -1.431 210 H LYS 30 H LYS 30 -9.236 -0.813 -0.885 211 HA LYS 30 HA LYS 30 -8.489 -0.581 -3.675 212 1HB LYS 30 2HB LYS 30 -11.141 0.388 -2.601 213 2HB LYS 30 3HB LYS 30 -10.274 1.396 -3.763 214 1HG LYS 30 2HG LYS 30 -10.973 -1.526 -4.237 215 2HG LYS 30 3HG LYS 30 -11.915 -0.154 -4.812 216 1HD LYS 30 2HD LYS 30 -10.641 0.044 -6.633 217 2HD LYS 30 3HD LYS 30 -9.206 0.357 -5.659 218 1HE LYS 30 2HE LYS 30 -8.780 -2.091 -5.469 219 2HE LYS 30 3HE LYS 30 -10.253 -2.427 -6.392 220 1HZ LYS 30 1HZ LYS 30 -9.244 -1.297 -8.261 221 2HZ LYS 30 2HZ LYS 30 -7.881 -0.985 -7.389 222 3HZ LYS 30 3HZ LYS 30 -8.295 -2.535 -7.743 223 H TYR 31 H TYR 31 -7.351 1.329 -4.063 224 HA TYR 31 HA TYR 31 -6.492 2.833 -1.745 225 1HB TYR 31 2HB TYR 31 -4.149 1.824 -2.000 226 2HB TYR 31 3HB TYR 31 -5.354 0.737 -1.325 227 HD1 TYR 31 HD1 TYR 31 -2.901 1.028 -3.894 228 HD2 TYR 31 HD2 TYR 31 -6.388 -1.107 -2.567 229 HE1 TYR 31 HE1 TYR 31 -2.375 -0.830 -5.444 230 HE2 TYR 31 HE2 TYR 31 -6.003 -2.838 -4.291 231 HH TYR 31 HH TYR 31 -4.328 -3.736 -5.752 232 H ASP 32 H ASP 32 -4.972 4.428 -2.234 233 HA ASP 32 HA ASP 32 -4.982 5.312 -5.073 234 1HB ASP 32 2HB ASP 32 -5.689 7.025 -3.427 235 2HB ASP 32 3HB ASP 32 -4.206 6.748 -2.501 236 H ILE 33 H ILE 33 -2.892 5.928 -5.937 237 HA ILE 33 HA ILE 33 -0.506 4.529 -4.919 238 HB ILE 33 HB ILE 33 -1.979 4.088 -7.553 239 1HG1 ILE 33 2HG1 ILE 33 -1.118 2.103 -5.416 240 2HG1 ILE 33 3HG1 ILE 33 -2.776 2.732 -5.581 241 1HG2 ILE 33 1HG2 ILE 33 0.405 4.274 -7.974 242 2HG2 ILE 33 2HG2 ILE 33 0.759 3.137 -6.657 243 3HG2 ILE 33 3HG2 ILE 33 -0.090 2.592 -8.133 244 1HD1 ILE 33 1HD1 ILE 33 -1.458 0.778 -7.409 245 2HD1 ILE 33 2HD1 ILE 33 -3.136 0.868 -6.811 246 3HD1 ILE 33 3HD1 ILE 33 -2.619 1.944 -8.087 247 H ASP 34 H ASP 34 0.345 6.636 -4.636 248 HA ASP 34 HA ASP 34 0.459 8.380 -7.063 249 1HB ASP 34 2HB ASP 34 -0.176 9.418 -4.898 250 2HB ASP 34 3HB ASP 34 1.458 9.041 -4.303 251 H LEU 35 H LEU 35 1.987 7.729 -8.377 252 HA LEU 35 HA LEU 35 4.347 6.280 -7.548 253 1HB LEU 35 2HB LEU 35 3.114 7.153 -10.116 254 2HB LEU 35 3HB LEU 35 4.873 7.077 -10.118 255 HG LEU 35 HG LEU 35 3.200 4.766 -9.066 256 1HD1 LEU 35 1HD1 LEU 35 4.088 5.146 -11.956 257 2HD1 LEU 35 2HD1 LEU 35 3.300 3.709 -11.273 258 3HD1 LEU 35 3HD1 LEU 35 2.413 5.237 -11.363 259 1HD2 LEU 35 1HD2 LEU 35 5.672 4.753 -8.608 260 2HD2 LEU 35 2HD2 LEU 35 5.211 3.427 -9.692 261 3HD2 LEU 35 3HD2 LEU 35 5.982 4.875 -10.347 262 HA PRO 36 HA PRO 36 6.816 10.204 -8.689 263 1HB PRO 36 2HB PRO 36 5.523 12.675 -8.595 264 2HB PRO 36 3HB PRO 36 5.866 11.733 -10.072 265 1HG PRO 36 2HG PRO 36 3.310 11.811 -8.469 266 2HG PRO 36 3HG PRO 36 3.498 11.899 -10.243 267 1HD PRO 36 2HD PRO 36 2.813 9.605 -9.054 268 2HD PRO 36 3HD PRO 36 4.003 9.569 -10.382 269 H ASN 37 H ASN 37 4.082 10.535 -6.385 270 HA ASN 37 HA ASN 37 5.892 11.853 -4.438 271 1HB ASN 37 2HB ASN 37 2.990 11.113 -4.090 272 2HB ASN 37 3HB ASN 37 4.029 11.770 -2.855 273 1HD2 ASN 37 1HD2 ASN 37 1.958 12.740 -5.423 274 2HD2 ASN 37 2HD2 ASN 37 2.522 14.405 -5.509 275 H LYS 38 H LYS 38 4.821 8.558 -5.137 276 HA LYS 38 HA LYS 38 5.522 6.571 -4.376 277 1HB LYS 38 2HB LYS 38 7.630 8.230 -2.931 278 2HB LYS 38 3HB LYS 38 7.487 6.549 -2.719 279 1HG LYS 38 2HG LYS 38 9.042 6.538 -4.364 280 2HG LYS 38 3HG LYS 38 7.589 6.394 -5.345 281 1HD LYS 38 2HD LYS 38 9.169 7.926 -6.309 282 2HD LYS 38 3HD LYS 38 7.708 8.787 -5.875 283 1HE LYS 38 2HE LYS 38 9.920 8.793 -3.836 284 2HE LYS 38 3HE LYS 38 10.192 9.689 -5.339 285 1HZ LYS 38 1HZ LYS 38 9.208 11.139 -3.762 286 2HZ LYS 38 2HZ LYS 38 8.134 10.857 -4.982 287 3HZ LYS 38 3HZ LYS 38 7.921 10.147 -3.510 288 H LYS 39 H LYS 39 3.188 6.891 -3.634 289 HA LYS 39 HA LYS 39 3.080 6.483 -0.710 290 1HB LYS 39 2HB LYS 39 2.731 9.021 -1.485 291 2HB LYS 39 3HB LYS 39 1.136 8.422 -1.966 292 1HG LYS 39 2HG LYS 39 1.030 7.432 0.449 293 2HG LYS 39 3HG LYS 39 2.438 8.454 0.778 294 1HD LYS 39 2HD LYS 39 1.073 10.461 0.039 295 2HD LYS 39 3HD LYS 39 -0.311 9.384 -0.195 296 1HE LYS 39 2HE LYS 39 0.181 8.681 2.342 297 2HE LYS 39 3HE LYS 39 1.077 10.196 2.392 298 1HZ LYS 39 1HZ LYS 39 -1.059 11.305 1.762 299 2HZ LYS 39 2HZ LYS 39 -1.841 9.840 1.894 300 3HZ LYS 39 3HZ LYS 39 -1.149 10.428 3.170 301 H VAL 40 H VAL 40 1.414 5.117 -0.116 302 HA VAL 40 HA VAL 40 -0.485 4.176 -2.176 303 HB VAL 40 HB VAL 40 1.054 2.468 -0.171 304 1HG1 VAL 40 1HG1 VAL 40 0.019 0.596 -1.432 305 2HG1 VAL 40 2HG1 VAL 40 -1.201 1.605 -0.638 306 3HG1 VAL 40 3HG1 VAL 40 -0.918 1.766 -2.387 307 1HG2 VAL 40 1HG2 VAL 40 2.484 3.284 -1.946 308 2HG2 VAL 40 2HG2 VAL 40 2.185 1.562 -2.122 309 3HG2 VAL 40 3HG2 VAL 40 1.312 2.723 -3.176 310 H CYS 41 H CYS 41 -2.511 4.742 -1.309 311 HA CYS 41 HA CYS 41 -2.760 4.701 1.685 312 1HB CYS 41 2HB CYS 41 -3.907 6.708 -0.269 313 2HB CYS 41 3HB CYS 41 -4.209 6.643 1.450 314 HG CYS 41 HG CYS 41 -1.352 6.946 -0.147 315 H ILE 42 H ILE 42 -3.904 2.963 2.174 316 HA ILE 42 HA ILE 42 -5.884 2.105 0.184 317 HB ILE 42 HB ILE 42 -5.139 0.744 2.791 318 1HG1 ILE 42 2HG1 ILE 42 -4.034 -0.887 0.888 319 2HG1 ILE 42 3HG1 ILE 42 -3.660 0.664 0.182 320 1HG2 ILE 42 1HG2 ILE 42 -6.562 -0.167 0.266 321 2HG2 ILE 42 2HG2 ILE 42 -6.099 -1.245 1.568 322 3HG2 ILE 42 3HG2 ILE 42 -7.254 0.056 1.883 323 1HD1 ILE 42 1HD1 ILE 42 -2.268 1.265 1.990 324 2HD1 ILE 42 2HD1 ILE 42 -3.014 0.079 3.082 325 3HD1 ILE 42 3HD1 ILE 42 -1.951 -0.475 1.802 326 H GLU 43 H GLU 43 -8.101 2.343 0.482 327 HA GLU 43 HA GLU 43 -9.032 3.208 3.175 328 1HB GLU 43 2HB GLU 43 -9.050 5.093 1.444 329 2HB GLU 43 3HB GLU 43 -10.308 4.195 0.599 330 1HG GLU 43 2HG GLU 43 -11.840 4.447 2.419 331 2HG GLU 43 3HG GLU 43 -10.579 4.890 3.566 332 H SER 44 H SER 44 -9.714 1.328 3.966 333 HA SER 44 HA SER 44 -11.970 0.062 2.837 334 1HB SER 44 2HB SER 44 -10.998 -2.181 2.369 335 2HB SER 44 3HB SER 44 -10.383 -0.950 1.259 336 HG SER 44 HG SER 44 -8.674 -0.832 3.099 337 H GLU 45 H GLU 45 -12.806 -1.588 4.297 338 HA GLU 45 HA GLU 45 -12.372 -1.061 7.011 339 1HB GLU 45 2HB GLU 45 -13.573 -3.534 5.679 340 2HB GLU 45 3HB GLU 45 -13.791 -3.056 7.368 341 1HG GLU 45 2HG GLU 45 -14.912 -0.973 6.668 342 2HG GLU 45 3HG GLU 45 -14.712 -1.399 4.959 343 H HIS 46 H HIS 46 -10.611 -3.195 4.867 344 HA HIS 46 HA HIS 46 -9.549 -5.126 6.613 345 1HB HIS 46 2HB HIS 46 -8.317 -3.696 4.232 346 2HB HIS 46 3HB HIS 46 -7.584 -5.075 5.054 347 HD1 HIS 46 1HD HIS 46 -8.857 -7.462 4.820 348 HD2 HIS 46 2HD HIS 46 -9.996 -4.304 2.295 349 HE1 HIS 46 1HE HIS 46 -9.924 -8.514 2.770 350 H SER 47 H SER 47 -8.662 -4.716 8.528 351 HA SER 47 HA SER 47 -7.848 -2.323 9.533 352 1HB SER 47 2HB SER 47 -8.307 -4.401 10.860 353 2HB SER 47 3HB SER 47 -6.716 -5.024 10.373 354 HG SER 47 HG SER 47 -7.324 -2.791 12.004 355 H MET 48 H MET 48 -5.936 -1.281 10.030 356 HA MET 48 HA MET 48 -3.959 -1.108 8.111 357 1HB MET 48 2HB MET 48 -2.819 0.362 9.496 358 2HB MET 48 3HB MET 48 -4.522 0.550 9.941 359 1HG MET 48 2HG MET 48 -4.052 -1.158 11.766 360 2HG MET 48 3HG MET 48 -2.326 -0.842 11.452 361 1HE MET 48 1HE MET 48 -2.849 1.005 14.836 362 2HE MET 48 2HE MET 48 -3.562 -0.543 14.319 363 3HE MET 48 3HE MET 48 -1.864 -0.166 13.927 364 H ASP 49 H ASP 49 -4.100 -3.313 10.887 365 HA ASP 49 HA ASP 49 -1.338 -4.107 10.853 366 1HB ASP 49 2HB ASP 49 -2.732 -4.500 12.802 367 2HB ASP 49 3HB ASP 49 -3.830 -5.538 11.871 368 H THR 50 H THR 50 -4.277 -5.856 9.690 369 HA THR 50 HA THR 50 -3.153 -7.855 8.235 370 HB THR 50 HB THR 50 -5.545 -6.260 7.220 371 HG1 THR 50 1HG THR 50 -6.671 -7.513 8.909 372 1HG2 THR 50 1HG2 THR 50 -4.874 -8.370 6.046 373 2HG2 THR 50 2HG2 THR 50 -5.064 -9.255 7.574 374 3HG2 THR 50 3HG2 THR 50 -6.473 -8.492 6.803 375 H LEU 51 H LEU 51 -3.916 -4.521 7.096 376 HA LEU 51 HA LEU 51 -2.798 -4.920 4.474 377 1HB LEU 51 2HB LEU 51 -3.185 -2.363 6.088 378 2HB LEU 51 3HB LEU 51 -2.624 -2.448 4.422 379 HG LEU 51 HG LEU 51 -5.349 -3.031 5.592 380 1HD1 LEU 51 1HD1 LEU 51 -6.071 -1.650 3.723 381 2HD1 LEU 51 2HD1 LEU 51 -4.704 -0.851 4.524 382 3HD1 LEU 51 3HD1 LEU 51 -4.423 -1.724 3.002 383 1HD2 LEU 51 1HD2 LEU 51 -4.403 -4.219 2.943 384 2HD2 LEU 51 2HD2 LEU 51 -5.031 -5.117 4.353 385 3HD2 LEU 51 3HD2 LEU 51 -6.093 -4.055 3.443 386 H LEU 52 H LEU 52 -1.314 -3.693 7.499 387 HA LEU 52 HA LEU 52 1.106 -2.906 6.403 388 1HB LEU 52 2HB LEU 52 0.150 -3.662 9.041 389 2HB LEU 52 3HB LEU 52 1.817 -4.150 8.780 390 HG LEU 52 HG LEU 52 0.888 -1.345 8.086 391 1HD1 LEU 52 1HD1 LEU 52 0.045 -1.688 10.255 392 2HD1 LEU 52 2HD1 LEU 52 1.607 -2.329 10.832 393 3HD1 LEU 52 3HD1 LEU 52 1.458 -0.617 10.332 394 1HD2 LEU 52 1HD2 LEU 52 3.192 -2.163 7.438 395 2HD2 LEU 52 2HD2 LEU 52 3.261 -0.828 8.607 396 3HD2 LEU 52 3HD2 LEU 52 3.523 -2.495 9.151 397 H ALA 53 H ALA 53 0.208 -6.082 7.789 398 HA ALA 53 HA ALA 53 2.567 -7.505 7.209 399 1HB ALA 53 1HB ALA 53 -0.312 -8.529 7.294 400 2HB ALA 53 2HB ALA 53 1.153 -9.524 7.436 401 3HB ALA 53 3HB ALA 53 0.765 -8.328 8.690 402 H THR 54 H THR 54 -0.368 -7.046 5.173 403 HA THR 54 HA THR 54 0.482 -8.601 2.960 404 HB THR 54 HB THR 54 -1.285 -6.110 3.069 405 HG1 THR 54 1HG THR 54 -2.077 -7.713 4.417 406 1HG2 THR 54 1HG2 THR 54 -0.574 -6.681 0.778 407 2HG2 THR 54 2HG2 THR 54 -1.192 -8.335 1.025 408 3HG2 THR 54 3HG2 THR 54 -2.292 -6.929 1.067 409 H LEU 55 H LEU 55 0.907 -5.083 3.683 410 HA LEU 55 HA LEU 55 1.963 -4.623 1.032 411 1HB LEU 55 2HB LEU 55 1.057 -3.033 3.328 412 2HB LEU 55 3HB LEU 55 2.466 -2.324 2.569 413 HG LEU 55 HG LEU 55 -0.286 -2.743 1.456 414 1HD1 LEU 55 1HD1 LEU 55 0.065 -0.256 1.073 415 2HD1 LEU 55 2HD1 LEU 55 0.197 -0.753 2.777 416 3HD1 LEU 55 3HD1 LEU 55 1.649 -0.392 1.821 417 1HD2 LEU 55 1HD2 LEU 55 1.063 -3.371 -0.458 418 2HD2 LEU 55 2HD2 LEU 55 0.571 -1.692 -0.633 419 3HD2 LEU 55 3HD2 LEU 55 2.233 -2.062 -0.118 420 H LYS 56 H LYS 56 3.376 -5.159 4.263 421 HA LYS 56 HA LYS 56 6.072 -4.677 3.655 422 1HB LYS 56 2HB LYS 56 4.527 -6.353 5.567 423 2HB LYS 56 3HB LYS 56 6.103 -6.998 5.167 424 1HG LYS 56 2HG LYS 56 6.231 -5.598 7.082 425 2HG LYS 56 3HG LYS 56 7.220 -4.937 5.767 426 1HD LYS 56 2HD LYS 56 5.271 -3.273 5.339 427 2HD LYS 56 3HD LYS 56 4.487 -3.996 6.740 428 1HE LYS 56 2HE LYS 56 5.536 -2.014 7.565 429 2HE LYS 56 3HE LYS 56 6.516 -3.367 8.137 430 1HZ LYS 56 1HZ LYS 56 7.927 -1.691 7.334 431 2HZ LYS 56 2HZ LYS 56 7.974 -2.840 6.159 432 3HZ LYS 56 3HZ LYS 56 7.092 -1.453 5.963 433 H LYS 57 H LYS 57 4.011 -7.274 2.320 434 HA LYS 57 HA LYS 57 6.242 -8.916 1.528 435 1HB LYS 57 2HB LYS 57 3.522 -8.791 0.199 436 2HB LYS 57 3HB LYS 57 4.705 -10.095 0.121 437 1HG LYS 57 2HG LYS 57 3.055 -9.257 2.535 438 2HG LYS 57 3HG LYS 57 2.937 -10.742 1.602 439 1HD LYS 57 2HD LYS 57 5.267 -11.341 2.387 440 2HD LYS 57 3HD LYS 57 5.247 -9.870 3.391 441 1HE LYS 57 2HE LYS 57 3.143 -10.712 4.508 442 2HE LYS 57 3HE LYS 57 3.311 -12.226 3.608 443 1HZ LYS 57 1HZ LYS 57 5.432 -12.549 4.719 444 2HZ LYS 57 2HZ LYS 57 5.244 -11.138 5.549 445 3HZ LYS 57 3HZ LYS 57 4.212 -12.387 5.809 446 H THR 58 H THR 58 5.200 -5.852 0.277 447 HA THR 58 HA THR 58 6.356 -6.113 -2.413 448 HB THR 58 HB THR 58 6.253 -3.768 -2.477 449 HG1 THR 58 1HG THR 58 5.537 -3.670 0.263 450 1HG2 THR 58 1HG2 THR 58 3.865 -4.798 -0.904 451 2HG2 THR 58 2HG2 THR 58 3.906 -3.339 -1.873 452 3HG2 THR 58 3HG2 THR 58 4.126 -4.933 -2.649 453 H GLY 59 H GLY 59 7.558 -5.658 0.839 454 1HA GLY 59 2HA GLY 59 9.524 -5.357 1.714 455 2HA GLY 59 3HA GLY 59 10.227 -6.284 0.362 456 H LYS 60 H LYS 60 8.534 -3.166 0.114 457 HA LYS 60 HA LYS 60 10.972 -1.770 -0.832 458 1HB LYS 60 2HB LYS 60 8.237 -0.599 -0.231 459 2HB LYS 60 3HB LYS 60 9.481 0.068 -1.264 460 1HG LYS 60 2HG LYS 60 7.820 -2.388 -1.843 461 2HG LYS 60 3HG LYS 60 7.656 -0.813 -2.598 462 1HD LYS 60 2HD LYS 60 9.955 -2.796 -2.871 463 2HD LYS 60 3HD LYS 60 8.766 -2.342 -4.092 464 1HE LYS 60 2HE LYS 60 9.595 0.106 -3.804 465 2HE LYS 60 3HE LYS 60 10.948 -0.538 -2.864 466 1HZ LYS 60 1HZ LYS 60 11.485 -1.861 -4.892 467 2HZ LYS 60 2HZ LYS 60 10.379 -0.927 -5.717 468 3HZ LYS 60 3HZ LYS 60 11.662 -0.225 -5.000 469 H THR 61 H THR 61 10.846 0.664 0.340 470 HA THR 61 HA THR 61 11.337 0.270 3.206 471 HB THR 61 HB THR 61 11.297 2.867 1.770 472 HG1 THR 61 1HG THR 61 12.591 1.609 0.450 473 1HG2 THR 61 1HG2 THR 61 11.667 2.860 4.224 474 2HG2 THR 61 2HG2 THR 61 13.055 1.768 3.999 475 3HG2 THR 61 3HG2 THR 61 13.104 3.416 3.343 476 H VAL 62 H VAL 62 8.859 -0.574 2.698 477 HA VAL 62 HA VAL 62 6.916 1.522 2.401 478 HB VAL 62 HB VAL 62 6.286 -0.399 1.366 479 1HG1 VAL 62 1HG1 VAL 62 7.669 -2.135 2.271 480 2HG1 VAL 62 2HG1 VAL 62 6.877 -2.021 3.860 481 3HG1 VAL 62 3HG1 VAL 62 5.985 -2.611 2.448 482 1HG2 VAL 62 1HG2 VAL 62 4.678 -0.729 3.911 483 2HG2 VAL 62 2HG2 VAL 62 4.503 0.695 2.872 484 3HG2 VAL 62 3HG2 VAL 62 4.176 -0.917 2.219 485 H SER 63 H SER 63 6.533 2.920 3.932 486 HA SER 63 HA SER 63 6.823 2.191 6.810 487 1HB SER 63 2HB SER 63 7.324 4.838 6.695 488 2HB SER 63 3HB SER 63 8.579 3.613 6.441 489 HG SER 63 HG SER 63 8.363 3.834 4.219 490 H TYR 64 H TYR 64 5.145 2.731 8.168 491 HA TYR 64 HA TYR 64 2.633 3.304 6.810 492 1HB TYR 64 2HB TYR 64 2.899 1.404 8.344 493 2HB TYR 64 3HB TYR 64 3.261 2.507 9.676 494 HD1 TYR 64 HD1 TYR 64 0.627 2.246 6.980 495 HD2 TYR 64 HD2 TYR 64 1.440 2.682 11.191 496 HE1 TYR 64 HE1 TYR 64 -1.744 2.675 7.393 497 HE2 TYR 64 HE2 TYR 64 -0.979 2.951 11.622 498 HH TYR 64 HH TYR 64 -3.057 3.224 10.673 499 H LEU 65 H LEU 65 1.219 4.967 7.249 500 HA LEU 65 HA LEU 65 2.123 7.271 8.898 501 1HB LEU 65 2HB LEU 65 0.765 7.212 6.205 502 2HB LEU 65 3HB LEU 65 0.757 8.607 7.287 503 HG LEU 65 HG LEU 65 3.406 8.145 7.378 504 1HD1 LEU 65 1HD1 LEU 65 2.669 7.241 4.572 505 2HD1 LEU 65 2HD1 LEU 65 4.292 7.389 5.306 506 3HD1 LEU 65 3HD1 LEU 65 3.189 6.129 5.851 507 1HD2 LEU 65 1HD2 LEU 65 1.905 9.530 5.146 508 2HD2 LEU 65 2HD2 LEU 65 2.367 10.205 6.732 509 3HD2 LEU 65 3HD2 LEU 65 3.629 9.777 5.547 510 H GLY 66 H GLY 66 -0.023 8.678 9.264 511 1HA GLY 66 2HA GLY 66 -1.412 7.319 11.254 512 2HA GLY 66 3HA GLY 66 -1.913 8.853 10.527 513 H LEU 67 H LEU 67 -3.638 6.829 11.525 514 HA LEU 67 HA LEU 67 -4.991 5.585 9.257 515 1HB LEU 67 2HB LEU 67 -4.753 4.467 11.427 516 2HB LEU 67 3HB LEU 67 -5.606 5.772 12.252 517 HG LEU 67 HG LEU 67 -6.984 4.375 9.976 518 1HD1 LEU 67 1HD1 LEU 67 -6.729 3.193 12.780 519 2HD1 LEU 67 2HD1 LEU 67 -7.764 2.573 11.476 520 3HD1 LEU 67 3HD1 LEU 67 -6.004 2.514 11.311 521 1HD2 LEU 67 1HD2 LEU 67 -8.151 6.244 11.193 522 2HD2 LEU 67 2HD2 LEU 67 -8.987 4.703 11.374 523 3HD2 LEU 67 3HD2 LEU 67 -7.988 5.333 12.701 524 H GLU 68 H GLU 68 -6.978 6.400 8.448 525 HA GLU 68 HA GLU 68 -8.532 8.255 9.905 526 1HB GLU 68 2HB GLU 68 -6.860 9.810 8.704 527 2HB GLU 68 3HB GLU 68 -7.685 9.384 7.209 528 1HG GLU 68 2HG GLU 68 -9.098 10.550 9.667 529 2HG GLU 68 3HG GLU 68 -8.365 11.551 8.416 Start of MODEL 21 1 1H MET 1 H1 MET 1 -12.273 7.184 7.999 2 2H MET 1 H2 MET 1 -13.531 7.335 9.080 3 3H MET 1 H3 MET 1 -12.072 6.685 9.509 4 HA MET 1 HA MET 1 -13.597 4.883 9.178 5 1HB MET 1 2HB MET 1 -15.208 5.959 7.786 6 2HB MET 1 3HB MET 1 -14.029 6.246 6.497 7 1HG MET 1 2HG MET 1 -13.833 3.856 6.057 8 2HG MET 1 3HG MET 1 -14.942 3.478 7.384 9 1HE MET 1 1HE MET 1 -18.370 4.629 5.927 10 2HE MET 1 2HE MET 1 -17.527 3.845 7.283 11 3HE MET 1 3HE MET 1 -17.334 5.596 6.995 12 HA PRO 2 HA PRO 2 -9.456 3.680 8.963 13 1HB PRO 2 2HB PRO 2 -10.521 1.141 7.736 14 2HB PRO 2 3HB PRO 2 -9.164 1.325 8.885 15 1HG PRO 2 2HG PRO 2 -11.624 0.780 9.834 16 2HG PRO 2 3HG PRO 2 -10.611 2.020 10.630 17 1HD PRO 2 2HD PRO 2 -12.993 2.417 8.868 18 2HD PRO 2 3HD PRO 2 -12.367 3.413 10.219 19 H LYS 3 H LYS 3 -9.073 5.393 7.450 20 HA LYS 3 HA LYS 3 -8.089 4.525 4.780 21 1HB LYS 3 2HB LYS 3 -7.738 7.252 6.075 22 2HB LYS 3 3HB LYS 3 -7.493 6.782 4.389 23 1HG LYS 3 2HG LYS 3 -10.014 6.134 4.432 24 2HG LYS 3 3HG LYS 3 -10.083 7.114 5.909 25 1HD LYS 3 2HD LYS 3 -8.960 8.993 4.595 26 2HD LYS 3 3HD LYS 3 -9.216 8.038 3.128 27 1HE LYS 3 2HE LYS 3 -11.349 9.121 5.037 28 2HE LYS 3 3HE LYS 3 -10.967 9.734 3.426 29 1HZ LYS 3 1HZ LYS 3 -12.167 7.064 4.014 30 2HZ LYS 3 2HZ LYS 3 -12.871 8.323 3.236 31 3HZ LYS 3 3HZ LYS 3 -11.635 7.448 2.585 32 H HIS 4 H HIS 4 -5.907 4.323 4.409 33 HA HIS 4 HA HIS 4 -4.012 4.573 6.708 34 1HB HIS 4 2HB HIS 4 -4.272 2.135 4.914 35 2HB HIS 4 3HB HIS 4 -3.203 2.348 6.295 36 HD1 HIS 4 1HD HIS 4 -6.108 0.462 5.508 37 HD2 HIS 4 2HD HIS 4 -5.097 3.103 8.620 38 HE1 HIS 4 1HE HIS 4 -7.644 -0.092 7.458 39 H GLU 5 H GLU 5 -2.745 6.210 5.844 40 HA GLU 5 HA GLU 5 -1.874 5.983 3.026 41 1HB GLU 5 2HB GLU 5 -2.267 8.245 4.247 42 2HB GLU 5 3HB GLU 5 -0.703 7.926 5.000 43 1HG GLU 5 2HG GLU 5 -0.043 7.389 2.414 44 2HG GLU 5 3HG GLU 5 -1.401 8.471 2.118 45 H PHE 6 H PHE 6 -0.001 4.992 2.449 46 HA PHE 6 HA PHE 6 2.018 4.345 4.539 47 1HB PHE 6 2HB PHE 6 1.122 2.617 2.208 48 2HB PHE 6 3HB PHE 6 2.631 2.381 3.076 49 HD1 PHE 6 1HD PHE 6 2.712 0.995 4.997 50 HD2 PHE 6 2HD PHE 6 -1.096 2.526 3.678 51 HE1 PHE 6 1HE PHE 6 1.559 -0.775 6.252 52 HE2 PHE 6 2HE PHE 6 -2.242 0.777 5.008 53 HZ PHE 6 HZ PHE 6 -0.935 -0.912 6.235 54 H SER 7 H SER 7 3.992 5.098 4.002 55 HA SER 7 HA SER 7 4.345 6.335 1.307 56 1HB SER 7 2HB SER 7 4.833 7.714 3.358 57 2HB SER 7 3HB SER 7 6.178 6.611 3.700 58 HG SER 7 HG SER 7 6.971 7.209 1.561 59 H VAL 8 H VAL 8 5.962 5.497 -0.032 60 HA VAL 8 HA VAL 8 7.145 2.860 0.654 61 HB VAL 8 HB VAL 8 5.282 3.522 -1.687 62 1HG1 VAL 8 1HG1 VAL 8 5.385 1.034 -2.140 63 2HG1 VAL 8 2HG1 VAL 8 6.852 1.886 -2.548 64 3HG1 VAL 8 3HG1 VAL 8 6.763 0.947 -1.032 65 1HG2 VAL 8 1HG2 VAL 8 3.936 3.179 0.274 66 2HG2 VAL 8 2HG2 VAL 8 3.913 1.639 -0.587 67 3HG2 VAL 8 3HG2 VAL 8 4.957 1.830 0.817 68 H ASP 9 H ASP 9 8.527 2.276 -1.506 69 HA ASP 9 HA ASP 9 9.501 4.798 -2.751 70 1HB ASP 9 2HB ASP 9 11.328 4.014 -1.441 71 2HB ASP 9 3HB ASP 9 11.232 2.392 -2.163 72 H MET 10 H MET 10 7.537 4.288 -4.067 73 HA MET 10 HA MET 10 7.758 2.104 -5.959 74 1HB MET 10 2HB MET 10 6.039 4.608 -6.096 75 2HB MET 10 3HB MET 10 5.932 3.189 -7.144 76 1HG MET 10 2HG MET 10 5.200 1.799 -5.323 77 2HG MET 10 3HG MET 10 5.358 3.152 -4.177 78 1HE MET 10 1HE MET 10 2.882 2.595 -3.504 79 2HE MET 10 2HE MET 10 1.485 2.694 -4.612 80 3HE MET 10 3HE MET 10 2.665 1.370 -4.784 81 H THR 11 H THR 11 10.141 2.820 -6.393 82 HA THR 11 HA THR 11 10.388 5.341 -7.754 83 HB THR 11 HB THR 11 12.091 4.124 -6.229 84 HG1 THR 11 1HG THR 11 12.870 5.592 -8.507 85 1HG2 THR 11 1HG2 THR 11 12.477 2.168 -7.701 86 2HG2 THR 11 2HG2 THR 11 13.171 3.249 -8.932 87 3HG2 THR 11 3HG2 THR 11 13.941 3.102 -7.343 88 H CYS 12 HN CYS 12 9.183 2.532 -9.091 89 HA CYS 12 HA CYS 12 9.233 3.952 -11.581 90 1HB CYS 12 2HB CYS 12 9.978 2.179 -13.008 91 2HB CYS 12 3HB CYS 12 11.237 2.437 -11.806 92 H GLY 13 H GLY 13 7.621 2.971 -13.032 93 1HA GLY 13 2HA GLY 13 5.066 2.504 -12.124 94 2HA GLY 13 3HA GLY 13 5.733 1.844 -13.612 95 H GLY 14 H GLY 14 7.683 0.102 -12.592 96 1HA GLY 14 2HA GLY 14 6.031 -2.152 -12.291 97 2HA GLY 14 3HA GLY 14 7.813 -2.120 -12.158 98 H CYS 15 HN CYS 15 7.777 -0.214 -9.842 99 HA CYS 15 HA CYS 15 7.481 -2.138 -7.689 100 1HB CYS 15 2HB CYS 15 7.662 0.880 -7.727 101 2HB CYS 15 3HB CYS 15 7.649 -0.117 -6.252 102 H ALA 16 H ALA 16 5.523 0.600 -8.933 103 HA ALA 16 HA ALA 16 3.390 0.348 -7.056 104 1HB ALA 16 1HB ALA 16 3.695 2.324 -8.423 105 2HB ALA 16 2HB ALA 16 3.333 1.407 -9.906 106 3HB ALA 16 3HB ALA 16 2.083 1.625 -8.675 107 H GLU 17 H GLU 17 3.865 -1.105 -10.325 108 HA GLU 17 HA GLU 17 1.526 -2.598 -10.476 109 1HB GLU 17 2HB GLU 17 3.469 -2.376 -12.194 110 2HB GLU 17 3HB GLU 17 4.229 -3.709 -11.314 111 1HG GLU 17 2HG GLU 17 1.807 -4.830 -11.632 112 2HG GLU 17 3HG GLU 17 1.718 -3.642 -12.942 113 H ALA 18 H ALA 18 4.664 -3.593 -8.995 114 HA ALA 18 HA ALA 18 3.836 -6.124 -8.054 115 1HB ALA 18 1HB ALA 18 5.745 -5.980 -6.523 116 2HB ALA 18 2HB ALA 18 6.203 -5.352 -8.125 117 3HB ALA 18 3HB ALA 18 5.861 -4.233 -6.787 118 H VAL 19 H VAL 19 3.825 -2.958 -6.304 119 HA VAL 19 HA VAL 19 2.732 -3.852 -3.897 120 HB VAL 19 HB VAL 19 2.464 -1.245 -5.453 121 1HG1 VAL 19 1HG1 VAL 19 1.897 -0.406 -3.098 122 2HG1 VAL 19 2HG1 VAL 19 0.622 -1.250 -4.003 123 3HG1 VAL 19 3HG1 VAL 19 1.535 -2.126 -2.739 124 1HG2 VAL 19 1HG2 VAL 19 4.790 -2.099 -4.445 125 2HG2 VAL 19 2HG2 VAL 19 4.263 -0.420 -4.257 126 3HG2 VAL 19 3HG2 VAL 19 4.070 -1.550 -2.922 127 H SER 20 H SER 20 1.105 -2.736 -6.875 128 HA SER 20 HA SER 20 -1.534 -3.003 -5.900 129 1HB SER 20 2HB SER 20 -0.586 -1.914 -8.115 130 2HB SER 20 3HB SER 20 -0.790 -3.510 -8.825 131 HG SER 20 HG SER 20 -2.654 -2.170 -9.072 132 H ARG 21 H ARG 21 0.432 -5.303 -7.790 133 HA ARG 21 HA ARG 21 -1.387 -7.414 -7.855 134 1HB ARG 21 2HB ARG 21 0.241 -8.317 -8.974 135 2HB ARG 21 3HB ARG 21 1.290 -6.980 -8.595 136 1HG ARG 21 2HG ARG 21 2.293 -8.155 -6.730 137 2HG ARG 21 3HG ARG 21 1.120 -9.458 -6.844 138 1HD ARG 21 2HD ARG 21 3.119 -10.235 -7.858 139 2HD ARG 21 3HD ARG 21 2.001 -9.969 -9.180 140 HE ARG 21 HE ARG 21 4.466 -8.485 -8.466 141 1HH1 ARG 21 2HH2 ARG 21 1.656 -8.518 -10.721 142 2HH1 ARG 21 1HH2 ARG 21 2.519 -7.441 -11.832 143 1HH2 ARG 21 2HH1 ARG 21 5.435 -7.050 -10.087 144 2HH2 ARG 21 1HH1 ARG 21 4.441 -6.705 -11.503 145 H VAL 22 H VAL 22 0.902 -6.567 -5.201 146 HA VAL 22 HA VAL 22 0.421 -8.872 -3.606 147 HB VAL 22 HB VAL 22 1.772 -6.168 -3.494 148 1HG1 VAL 22 1HG1 VAL 22 2.372 -6.495 -1.139 149 2HG1 VAL 22 2HG1 VAL 22 0.735 -5.940 -1.522 150 3HG1 VAL 22 3HG1 VAL 22 1.011 -7.643 -1.020 151 1HG2 VAL 22 1HG2 VAL 22 2.732 -8.922 -2.766 152 2HG2 VAL 22 2HG2 VAL 22 2.912 -8.124 -4.348 153 3HG2 VAL 22 3HG2 VAL 22 3.684 -7.413 -2.917 154 H LEU 23 H LEU 23 -0.857 -5.531 -3.569 155 HA LEU 23 HA LEU 23 -2.625 -6.005 -1.337 156 1HB LEU 23 2HB LEU 23 -2.136 -3.815 -3.310 157 2HB LEU 23 3HB LEU 23 -3.713 -3.821 -2.603 158 HG LEU 23 HG LEU 23 -1.144 -4.009 -0.963 159 1HD1 LEU 23 1HD1 LEU 23 -2.829 -1.567 -1.664 160 2HD1 LEU 23 2HD1 LEU 23 -1.378 -1.594 -0.627 161 3HD1 LEU 23 3HD1 LEU 23 -1.227 -1.918 -2.360 162 1HD2 LEU 23 1HD2 LEU 23 -3.350 -4.689 0.182 163 2HD2 LEU 23 2HD2 LEU 23 -2.640 -3.192 0.828 164 3HD2 LEU 23 3HD2 LEU 23 -3.983 -3.122 -0.337 165 H ASN 24 H ASN 24 -2.980 -6.349 -4.859 166 HA ASN 24 HA ASN 24 -5.804 -6.707 -4.755 167 1HB ASN 24 2HB ASN 24 -4.645 -6.167 -6.840 168 2HB ASN 24 3HB ASN 24 -3.805 -7.728 -6.807 169 1HD2 ASN 24 1HD2 ASN 24 -7.054 -8.037 -5.583 170 2HD2 ASN 24 2HD2 ASN 24 -7.706 -8.652 -7.083 171 H LYS 25 H LYS 25 -3.015 -8.953 -4.509 172 HA LYS 25 HA LYS 25 -4.410 -11.326 -4.260 173 1HB LYS 25 2HB LYS 25 -1.783 -10.567 -3.870 174 2HB LYS 25 3HB LYS 25 -2.239 -11.055 -2.241 175 1HG LYS 25 2HG LYS 25 -2.470 -12.706 -4.803 176 2HG LYS 25 3HG LYS 25 -1.259 -12.911 -3.532 177 1HD LYS 25 2HD LYS 25 -3.123 -13.423 -1.907 178 2HD LYS 25 3HD LYS 25 -4.266 -13.355 -3.263 179 1HE LYS 25 2HE LYS 25 -2.991 -15.166 -4.426 180 2HE LYS 25 3HE LYS 25 -1.960 -15.327 -2.993 181 1HZ LYS 25 1HZ LYS 25 -3.750 -16.920 -3.003 182 2HZ LYS 25 2HZ LYS 25 -3.943 -15.895 -1.733 183 3HZ LYS 25 3HZ LYS 25 -4.884 -15.735 -3.072 184 H LEU 26 H LEU 26 -4.135 -8.775 -1.799 185 HA LEU 26 HA LEU 26 -5.702 -10.175 0.247 186 1HB LEU 26 2HB LEU 26 -4.101 -8.423 0.784 187 2HB LEU 26 3HB LEU 26 -4.975 -7.258 -0.182 188 HG LEU 26 HG LEU 26 -5.440 -6.593 1.858 189 1HD1 LEU 26 1HD1 LEU 26 -7.757 -6.827 2.296 190 2HD1 LEU 26 2HD1 LEU 26 -7.578 -7.034 0.547 191 3HD1 LEU 26 3HD1 LEU 26 -7.838 -8.447 1.593 192 1HD2 LEU 26 1HD2 LEU 26 -6.073 -7.916 3.781 193 2HD2 LEU 26 2HD2 LEU 26 -6.007 -9.423 2.827 194 3HD2 LEU 26 3HD2 LEU 26 -4.528 -8.488 3.135 195 H GLY 27 H GLY 27 -6.339 -7.565 -2.155 196 1HA GLY 27 2HA GLY 27 -8.051 -7.440 -3.686 197 2HA GLY 27 3HA GLY 27 -8.817 -8.866 -2.979 198 H GLY 28 H GLY 28 -9.338 -8.221 -0.445 199 1HA GLY 28 2HA GLY 28 -11.572 -6.372 -0.546 200 2HA GLY 28 3HA GLY 28 -10.895 -7.161 0.885 201 H VAL 29 H VAL 29 -9.796 -4.748 -1.540 202 HA VAL 29 HA VAL 29 -9.393 -2.693 0.544 203 HB VAL 29 HB VAL 29 -7.067 -2.245 -0.363 204 1HG1 VAL 29 1HG1 VAL 29 -7.332 -3.505 1.805 205 2HG1 VAL 29 2HG1 VAL 29 -7.245 -5.004 0.864 206 3HG1 VAL 29 3HG1 VAL 29 -5.865 -3.943 0.892 207 1HG2 VAL 29 1HG2 VAL 29 -5.858 -3.944 -1.575 208 2HG2 VAL 29 2HG2 VAL 29 -7.207 -5.096 -1.430 209 3HG2 VAL 29 3HG2 VAL 29 -7.363 -3.673 -2.473 210 H LYS 30 H LYS 30 -9.133 -0.521 -0.480 211 HA LYS 30 HA LYS 30 -8.579 -0.686 -3.291 212 1HB LYS 30 2HB LYS 30 -10.946 0.885 -2.304 213 2HB LYS 30 3HB LYS 30 -9.906 1.613 -3.527 214 1HG LYS 30 2HG LYS 30 -11.332 -1.059 -3.821 215 2HG LYS 30 3HG LYS 30 -11.810 0.483 -4.489 216 1HD LYS 30 2HD LYS 30 -10.812 -0.241 -6.352 217 2HD LYS 30 3HD LYS 30 -9.408 0.522 -5.637 218 1HE LYS 30 2HE LYS 30 -9.106 -1.728 -6.774 219 2HE LYS 30 3HE LYS 30 -8.365 -1.588 -5.195 220 1HZ LYS 30 1HZ LYS 30 -10.983 -2.867 -5.672 221 2HZ LYS 30 2HZ LYS 30 -9.550 -3.664 -5.508 222 3HZ LYS 30 3HZ LYS 30 -10.145 -2.816 -4.249 223 H TYR 31 H TYR 31 -7.320 1.116 -3.991 224 HA TYR 31 HA TYR 31 -6.073 2.634 -1.886 225 1HB TYR 31 2HB TYR 31 -3.885 1.466 -2.238 226 2HB TYR 31 3HB TYR 31 -5.099 0.500 -1.403 227 HD1 TYR 31 HD1 TYR 31 -2.894 0.643 -4.273 228 HD2 TYR 31 HD2 TYR 31 -6.280 -1.380 -2.557 229 HE1 TYR 31 HE1 TYR 31 -2.693 -1.135 -5.968 230 HE2 TYR 31 HE2 TYR 31 -6.118 -3.134 -4.319 231 HH TYR 31 HH TYR 31 -3.677 -3.026 -6.906 232 H ASP 32 H ASP 32 -5.184 4.442 -2.755 233 HA ASP 32 HA ASP 32 -4.952 4.548 -5.727 234 1HB ASP 32 2HB ASP 32 -6.203 6.399 -4.405 235 2HB ASP 32 3HB ASP 32 -4.581 6.967 -3.962 236 H ILE 33 H ILE 33 -2.927 5.588 -6.495 237 HA ILE 33 HA ILE 33 -0.625 4.202 -5.140 238 HB ILE 33 HB ILE 33 -1.953 3.877 -7.835 239 1HG1 ILE 33 2HG1 ILE 33 -1.130 1.837 -5.725 240 2HG1 ILE 33 3HG1 ILE 33 -2.743 2.569 -5.761 241 1HG2 ILE 33 1HG2 ILE 33 0.334 3.853 -8.417 242 2HG2 ILE 33 2HG2 ILE 33 0.784 2.902 -6.979 243 3HG2 ILE 33 3HG2 ILE 33 -0.143 2.168 -8.314 244 1HD1 ILE 33 1HD1 ILE 33 -1.739 0.532 -7.671 245 2HD1 ILE 33 2HD1 ILE 33 -3.363 0.800 -6.978 246 3HD1 ILE 33 3HD1 ILE 33 -2.811 1.809 -8.293 247 H ASP 34 H ASP 34 0.149 6.248 -4.590 248 HA ASP 34 HA ASP 34 0.539 8.279 -6.591 249 1HB ASP 34 2HB ASP 34 1.924 8.240 -3.921 250 2HB ASP 34 3HB ASP 34 1.329 9.593 -4.884 251 H LEU 35 H LEU 35 1.911 7.483 -8.250 252 HA LEU 35 HA LEU 35 4.383 6.120 -7.694 253 1HB LEU 35 2HB LEU 35 3.138 7.340 -10.145 254 2HB LEU 35 3HB LEU 35 4.883 7.132 -10.157 255 HG LEU 35 HG LEU 35 3.673 5.319 -11.256 256 1HD1 LEU 35 1HD1 LEU 35 4.877 3.392 -10.168 257 2HD1 LEU 35 2HD1 LEU 35 5.898 4.796 -10.487 258 3HD1 LEU 35 3HD1 LEU 35 5.324 4.471 -8.848 259 1HD2 LEU 35 1HD2 LEU 35 2.674 4.522 -8.507 260 2HD2 LEU 35 2HD2 LEU 35 1.696 5.315 -9.766 261 3HD2 LEU 35 3HD2 LEU 35 2.375 3.708 -10.065 262 HA PRO 36 HA PRO 36 6.718 10.219 -8.601 263 1HB PRO 36 2HB PRO 36 5.347 12.616 -8.169 264 2HB PRO 36 3HB PRO 36 5.617 11.850 -9.753 265 1HG PRO 36 2HG PRO 36 3.177 11.634 -7.978 266 2HG PRO 36 3HG PRO 36 3.232 11.943 -9.738 267 1HD PRO 36 2HD PRO 36 2.717 9.499 -8.828 268 2HD PRO 36 3HD PRO 36 3.855 9.679 -10.190 269 H ASN 37 H ASN 37 4.096 10.257 -6.189 270 HA ASN 37 HA ASN 37 5.850 11.480 -4.152 271 1HB ASN 37 2HB ASN 37 3.050 10.400 -3.779 272 2HB ASN 37 3HB ASN 37 3.921 11.513 -2.737 273 1HD2 ASN 37 1HD2 ASN 37 4.641 13.661 -3.838 274 2HD2 ASN 37 2HD2 ASN 37 3.473 14.355 -4.951 275 H LYS 38 H LYS 38 5.414 8.339 -5.368 276 HA LYS 38 HA LYS 38 5.699 6.260 -4.617 277 1HB LYS 38 2HB LYS 38 7.769 7.719 -2.911 278 2HB LYS 38 3HB LYS 38 7.604 5.983 -3.034 279 1HG LYS 38 2HG LYS 38 9.026 6.001 -4.702 280 2HG LYS 38 3HG LYS 38 7.737 6.662 -5.711 281 1HD LYS 38 2HD LYS 38 8.551 8.905 -5.345 282 2HD LYS 38 3HD LYS 38 9.694 8.385 -4.098 283 1HE LYS 38 2HE LYS 38 9.774 7.377 -6.977 284 2HE LYS 38 3HE LYS 38 10.663 8.805 -6.457 285 1HZ LYS 38 1HZ LYS 38 11.130 6.190 -5.115 286 2HZ LYS 38 2HZ LYS 38 11.953 6.637 -6.447 287 3HZ LYS 38 3HZ LYS 38 12.026 7.523 -5.065 288 H LYS 39 H LYS 39 3.301 6.409 -3.675 289 HA LYS 39 HA LYS 39 3.478 5.592 -0.875 290 1HB LYS 39 2HB LYS 39 1.639 7.837 -1.843 291 2HB LYS 39 3HB LYS 39 1.631 7.029 -0.321 292 1HG LYS 39 2HG LYS 39 4.146 7.986 -0.160 293 2HG LYS 39 3HG LYS 39 3.506 9.123 -1.359 294 1HD LYS 39 2HD LYS 39 1.543 9.532 0.189 295 2HD LYS 39 3HD LYS 39 2.310 8.441 1.361 296 1HE LYS 39 2HE LYS 39 4.300 9.981 1.439 297 2HE LYS 39 3HE LYS 39 3.423 11.104 0.374 298 1HZ LYS 39 1HZ LYS 39 1.639 11.098 2.114 299 2HZ LYS 39 2HZ LYS 39 2.517 10.188 3.041 300 3HZ LYS 39 3HZ LYS 39 3.075 11.720 2.698 301 H VAL 40 H VAL 40 1.423 4.688 -0.187 302 HA VAL 40 HA VAL 40 -0.466 3.985 -2.355 303 HB VAL 40 HB VAL 40 0.077 2.319 0.146 304 1HG1 VAL 40 1HG1 VAL 40 -2.213 2.295 -0.819 305 2HG1 VAL 40 2HG1 VAL 40 -1.541 1.817 -2.390 306 3HG1 VAL 40 3HG1 VAL 40 -1.405 0.719 -1.000 307 1HG2 VAL 40 1HG2 VAL 40 0.791 1.644 -2.715 308 2HG2 VAL 40 2HG2 VAL 40 1.976 2.115 -1.465 309 3HG2 VAL 40 3HG2 VAL 40 1.032 0.630 -1.277 310 H CYS 41 H CYS 41 -2.396 4.909 -1.900 311 HA CYS 41 HA CYS 41 -3.006 5.819 0.910 312 1HB CYS 41 2HB CYS 41 -4.176 6.695 -1.772 313 2HB CYS 41 3HB CYS 41 -4.658 7.252 -0.165 314 HG CYS 41 HG CYS 41 -1.790 7.673 -1.848 315 H ILE 42 H ILE 42 -3.607 3.801 1.718 316 HA ILE 42 HA ILE 42 -5.543 2.307 0.216 317 HB ILE 42 HB ILE 42 -3.971 1.985 2.764 318 1HG1 ILE 42 2HG1 ILE 42 -4.259 -0.345 1.045 319 2HG1 ILE 42 3HG1 ILE 42 -3.608 1.020 0.198 320 1HG2 ILE 42 1HG2 ILE 42 -6.202 1.298 3.532 321 2HG2 ILE 42 2HG2 ILE 42 -6.301 0.142 2.183 322 3HG2 ILE 42 3HG2 ILE 42 -5.066 -0.022 3.456 323 1HD1 ILE 42 1HD1 ILE 42 -2.425 0.074 2.826 324 2HD1 ILE 42 2HD1 ILE 42 -1.849 -0.467 1.262 325 3HD1 ILE 42 3HD1 ILE 42 -1.740 1.246 1.694 326 H GLU 43 H GLU 43 -7.705 1.874 0.798 327 HA GLU 43 HA GLU 43 -8.574 2.729 3.434 328 1HB GLU 43 2HB GLU 43 -9.319 4.595 2.046 329 2HB GLU 43 3HB GLU 43 -10.175 3.502 0.947 330 1HG GLU 43 2HG GLU 43 -11.803 2.938 2.626 331 2HG GLU 43 3HG GLU 43 -10.789 3.583 3.928 332 H SER 44 H SER 44 -9.860 1.134 4.364 333 HA SER 44 HA SER 44 -11.218 -0.814 2.742 334 1HB SER 44 2HB SER 44 -8.872 -1.704 2.593 335 2HB SER 44 3HB SER 44 -8.835 -1.822 4.363 336 HG SER 44 HG SER 44 -9.715 -3.678 2.768 337 H GLU 45 H GLU 45 -11.929 -2.625 4.218 338 HA GLU 45 HA GLU 45 -12.789 -1.703 6.920 339 1HB GLU 45 2HB GLU 45 -13.468 -4.236 5.353 340 2HB GLU 45 3HB GLU 45 -14.102 -3.782 6.942 341 1HG GLU 45 2HG GLU 45 -15.145 -1.756 5.950 342 2HG GLU 45 3HG GLU 45 -14.544 -2.224 4.349 343 H HIS 46 H HIS 46 -10.533 -3.778 5.124 344 HA HIS 46 HA HIS 46 -9.704 -5.446 7.326 345 1HB HIS 46 2HB HIS 46 -8.405 -4.605 4.716 346 2HB HIS 46 3HB HIS 46 -7.570 -5.601 5.909 347 HD1 HIS 46 1HD HIS 46 -7.840 -8.109 5.635 348 HD2 HIS 46 2HD HIS 46 -10.699 -5.799 3.601 349 HE1 HIS 46 1HE HIS 46 -9.045 -9.679 4.034 350 H SER 47 H SER 47 -8.176 -5.090 8.879 351 HA SER 47 HA SER 47 -7.714 -2.431 9.729 352 1HB SER 47 2HB SER 47 -7.775 -4.312 11.307 353 2HB SER 47 3HB SER 47 -6.368 -5.046 10.517 354 HG SER 47 HG SER 47 -6.421 -2.595 11.964 355 H MET 48 H MET 48 -5.849 -1.221 9.903 356 HA MET 48 HA MET 48 -3.807 -1.157 8.006 357 1HB MET 48 2HB MET 48 -2.514 0.137 9.493 358 2HB MET 48 3HB MET 48 -4.184 0.694 9.528 359 1HG MET 48 2HG MET 48 -3.054 -1.186 11.584 360 2HG MET 48 3HG MET 48 -2.908 0.565 11.723 361 1HE MET 48 1HE MET 48 -3.911 0.118 14.199 362 2HE MET 48 2HE MET 48 -5.530 -0.571 14.473 363 3HE MET 48 3HE MET 48 -4.228 -1.597 13.826 364 H ASP 49 H ASP 49 -4.124 -3.298 10.849 365 HA ASP 49 HA ASP 49 -1.496 -4.403 10.933 366 1HB ASP 49 2HB ASP 49 -2.858 -5.164 12.659 367 2HB ASP 49 3HB ASP 49 -4.286 -5.313 11.636 368 H THR 50 H THR 50 -4.360 -5.686 9.261 369 HA THR 50 HA THR 50 -2.972 -7.746 8.027 370 HB THR 50 HB THR 50 -5.598 -6.616 7.016 371 HG1 THR 50 1HG THR 50 -4.981 -7.585 9.603 372 1HG2 THR 50 1HG2 THR 50 -4.647 -9.447 7.662 373 2HG2 THR 50 2HG2 THR 50 -6.232 -9.010 6.998 374 3HG2 THR 50 3HG2 THR 50 -4.762 -8.743 6.032 375 H LEU 51 H LEU 51 -3.982 -4.517 6.835 376 HA LEU 51 HA LEU 51 -2.927 -4.690 4.201 377 1HB LEU 51 2HB LEU 51 -3.339 -2.479 6.214 378 2HB LEU 51 3HB LEU 51 -2.517 -2.153 4.721 379 HG LEU 51 HG LEU 51 -4.983 -1.769 5.006 380 1HD1 LEU 51 1HD1 LEU 51 -4.013 -3.425 2.626 381 2HD1 LEU 51 2HD1 LEU 51 -5.270 -2.168 2.538 382 3HD1 LEU 51 3HD1 LEU 51 -3.586 -1.736 2.897 383 1HD2 LEU 51 1HD2 LEU 51 -5.869 -3.921 5.751 384 2HD2 LEU 51 2HD2 LEU 51 -6.539 -3.474 4.188 385 3HD2 LEU 51 3HD2 LEU 51 -5.284 -4.716 4.274 386 H LEU 52 H LEU 52 -1.309 -3.417 7.191 387 HA LEU 52 HA LEU 52 1.263 -3.042 6.264 388 1HB LEU 52 2HB LEU 52 0.158 -3.806 8.903 389 2HB LEU 52 3HB LEU 52 1.719 -4.505 8.553 390 HG LEU 52 HG LEU 52 2.434 -2.056 7.922 391 1HD1 LEU 52 1HD1 LEU 52 0.134 -1.591 9.898 392 2HD1 LEU 52 2HD1 LEU 52 1.285 -0.381 9.313 393 3HD1 LEU 52 3HD1 LEU 52 0.102 -1.093 8.201 394 1HD2 LEU 52 1HD2 LEU 52 1.912 -3.094 10.712 395 2HD2 LEU 52 2HD2 LEU 52 3.347 -3.411 9.706 396 3HD2 LEU 52 3HD2 LEU 52 3.039 -1.768 10.316 397 H ALA 53 H ALA 53 0.078 -6.173 7.568 398 HA ALA 53 HA ALA 53 2.372 -7.673 7.006 399 1HB ALA 53 1HB ALA 53 0.897 -9.649 7.176 400 2HB ALA 53 2HB ALA 53 0.500 -8.450 8.425 401 3HB ALA 53 3HB ALA 53 -0.536 -8.614 6.992 402 H THR 54 H THR 54 -0.489 -7.118 4.887 403 HA THR 54 HA THR 54 0.429 -8.664 2.709 404 HB THR 54 HB THR 54 -1.363 -6.189 2.787 405 HG1 THR 54 1HG THR 54 -2.173 -7.793 4.077 406 1HG2 THR 54 1HG2 THR 54 -1.153 -8.381 0.708 407 2HG2 THR 54 2HG2 THR 54 -2.329 -7.049 0.759 408 3HG2 THR 54 3HG2 THR 54 -0.621 -6.689 0.502 409 H LEU 55 H LEU 55 0.825 -5.118 3.406 410 HA LEU 55 HA LEU 55 1.961 -4.651 0.875 411 1HB LEU 55 2HB LEU 55 0.833 -3.157 3.000 412 2HB LEU 55 3HB LEU 55 2.467 -2.533 2.827 413 HG LEU 55 HG LEU 55 0.276 -2.691 0.772 414 1HD1 LEU 55 1HD1 LEU 55 1.793 -0.336 2.012 415 2HD1 LEU 55 2HD1 LEU 55 0.449 -0.226 0.869 416 3HD1 LEU 55 3HD1 LEU 55 0.178 -0.876 2.497 417 1HD2 LEU 55 1HD2 LEU 55 3.228 -2.041 0.476 418 2HD2 LEU 55 2HD2 LEU 55 2.211 -3.085 -0.538 419 3HD2 LEU 55 3HD2 LEU 55 2.019 -1.331 -0.611 420 H LYS 56 H LYS 56 3.315 -5.314 4.066 421 HA LYS 56 HA LYS 56 6.052 -4.847 3.615 422 1HB LYS 56 2HB LYS 56 4.380 -6.552 5.407 423 2HB LYS 56 3HB LYS 56 5.988 -7.170 5.110 424 1HG LYS 56 2HG LYS 56 5.933 -5.780 7.074 425 2HG LYS 56 3HG LYS 56 7.047 -5.154 5.850 426 1HD LYS 56 2HD LYS 56 5.281 -3.447 5.210 427 2HD LYS 56 3HD LYS 56 4.274 -4.063 6.531 428 1HE LYS 56 2HE LYS 56 5.960 -3.447 8.188 429 2HE LYS 56 3HE LYS 56 7.122 -3.003 6.926 430 1HZ LYS 56 1HZ LYS 56 5.824 -1.131 6.348 431 2HZ LYS 56 2HZ LYS 56 4.570 -1.593 7.324 432 3HZ LYS 56 3HZ LYS 56 6.009 -1.122 7.959 433 H LYS 57 H LYS 57 4.038 -7.389 2.147 434 HA LYS 57 HA LYS 57 6.200 -9.107 1.420 435 1HB LYS 57 2HB LYS 57 3.600 -8.613 -0.057 436 2HB LYS 57 3HB LYS 57 4.703 -9.971 -0.320 437 1HG LYS 57 2HG LYS 57 4.410 -10.681 2.055 438 2HG LYS 57 3HG LYS 57 3.221 -9.409 2.293 439 1HD LYS 57 2HD LYS 57 3.008 -11.822 0.449 440 2HD LYS 57 3HD LYS 57 2.079 -11.476 1.922 441 1HE LYS 57 2HE LYS 57 1.259 -9.339 0.675 442 2HE LYS 57 3HE LYS 57 1.919 -10.074 -0.790 443 1HZ LYS 57 1HZ LYS 57 -0.398 -10.503 -0.539 444 2HZ LYS 57 2HZ LYS 57 0.422 -11.927 -0.410 445 3HZ LYS 57 3HZ LYS 57 -0.187 -11.192 0.937 446 H THR 58 H THR 58 5.356 -5.945 0.168 447 HA THR 58 HA THR 58 6.797 -6.139 -2.399 448 HB THR 58 HB THR 58 6.521 -3.833 -2.508 449 HG1 THR 58 1HG THR 58 5.620 -3.752 0.179 450 1HG2 THR 58 1HG2 THR 58 4.126 -3.526 -2.063 451 2HG2 THR 58 2HG2 THR 58 4.482 -5.084 -2.850 452 3HG2 THR 58 3HG2 THR 58 4.083 -5.004 -1.123 453 H GLY 59 H GLY 59 7.641 -5.671 0.962 454 1HA GLY 59 2HA GLY 59 9.480 -5.205 2.030 455 2HA GLY 59 3HA GLY 59 10.365 -6.121 0.781 456 H LYS 60 H LYS 60 8.556 -3.118 0.266 457 HA LYS 60 HA LYS 60 10.955 -1.661 -0.660 458 1HB LYS 60 2HB LYS 60 8.092 -0.780 -0.227 459 2HB LYS 60 3HB LYS 60 9.259 0.091 -1.186 460 1HG LYS 60 2HG LYS 60 8.188 -2.692 -1.838 461 2HG LYS 60 3HG LYS 60 7.634 -1.206 -2.588 462 1HD LYS 60 2HD LYS 60 10.352 -2.570 -2.832 463 2HD LYS 60 3HD LYS 60 9.103 -2.387 -4.066 464 1HE LYS 60 2HE LYS 60 9.280 0.159 -3.657 465 2HE LYS 60 3HE LYS 60 10.773 -0.146 -2.743 466 1HZ LYS 60 1HZ LYS 60 10.384 -0.575 -5.631 467 2HZ LYS 60 2HZ LYS 60 11.238 0.572 -4.862 468 3HZ LYS 60 3HZ LYS 60 11.746 -1.002 -4.776 469 H THR 61 H THR 61 10.823 0.819 0.205 470 HA THR 61 HA THR 61 11.127 0.934 2.996 471 HB THR 61 HB THR 61 10.547 3.265 1.246 472 HG1 THR 61 1HG THR 61 12.626 3.072 0.355 473 1HG2 THR 61 1HG2 THR 61 11.243 3.656 3.611 474 2HG2 THR 61 2HG2 THR 61 12.743 2.750 3.304 475 3HG2 THR 61 3HG2 THR 61 12.441 4.288 2.466 476 H VAL 62 H VAL 62 8.736 -0.285 2.912 477 HA VAL 62 HA VAL 62 6.557 1.610 2.624 478 HB VAL 62 HB VAL 62 6.187 -0.296 1.583 479 1HG1 VAL 62 1HG1 VAL 62 6.696 -1.874 4.134 480 2HG1 VAL 62 2HG1 VAL 62 5.916 -2.539 2.684 481 3HG1 VAL 62 3HG1 VAL 62 7.587 -1.980 2.602 482 1HG2 VAL 62 1HG2 VAL 62 4.268 0.730 2.820 483 2HG2 VAL 62 2HG2 VAL 62 4.060 -0.970 2.379 484 3HG2 VAL 62 3HG2 VAL 62 4.439 -0.540 4.053 485 H SER 63 H SER 63 6.699 3.053 4.168 486 HA SER 63 HA SER 63 6.478 2.273 7.044 487 1HB SER 63 2HB SER 63 6.762 4.774 7.381 488 2HB SER 63 3HB SER 63 8.157 3.903 6.712 489 HG SER 63 HG SER 63 7.839 5.733 5.485 490 H TYR 64 H TYR 64 4.689 2.990 8.265 491 HA TYR 64 HA TYR 64 2.184 3.404 6.700 492 1HB TYR 64 2HB TYR 64 2.222 1.286 7.826 493 2HB TYR 64 3HB TYR 64 2.854 2.009 9.302 494 HD1 TYR 64 HD1 TYR 64 -0.107 2.759 7.056 495 HD2 TYR 64 HD2 TYR 64 1.332 1.983 11.052 496 HE1 TYR 64 HE1 TYR 64 -2.302 3.385 7.993 497 HE2 TYR 64 HE2 TYR 64 -0.921 2.466 11.950 498 HH TYR 64 HH TYR 64 -3.517 3.754 9.902 499 H LEU 65 H LEU 65 0.904 5.158 7.234 500 HA LEU 65 HA LEU 65 1.935 7.045 9.297 501 1HB LEU 65 2HB LEU 65 0.735 7.600 6.600 502 2HB LEU 65 3HB LEU 65 0.954 8.800 7.870 503 HG LEU 65 HG LEU 65 3.462 7.837 7.915 504 1HD1 LEU 65 1HD1 LEU 65 3.143 6.118 6.219 505 2HD1 LEU 65 2HD1 LEU 65 2.544 7.317 5.060 506 3HD1 LEU 65 3HD1 LEU 65 4.235 7.366 5.626 507 1HD2 LEU 65 1HD2 LEU 65 4.059 9.678 6.383 508 2HD2 LEU 65 2HD2 LEU 65 2.344 9.828 5.924 509 3HD2 LEU 65 3HD2 LEU 65 2.849 10.134 7.602 510 H GLY 66 H GLY 66 -0.032 8.723 9.696 511 1HA GLY 66 2HA GLY 66 -1.671 7.483 11.517 512 2HA GLY 66 3HA GLY 66 -1.986 9.075 10.812 513 H LEU 67 H LEU 67 -3.976 7.317 11.711 514 HA LEU 67 HA LEU 67 -5.269 6.113 9.363 515 1HB LEU 67 2HB LEU 67 -4.834 4.792 11.406 516 2HB LEU 67 3HB LEU 67 -5.772 5.917 12.377 517 HG LEU 67 HG LEU 67 -7.145 4.735 10.001 518 1HD1 LEU 67 1HD1 LEU 67 -7.631 2.614 11.163 519 2HD1 LEU 67 2HD1 LEU 67 -5.890 2.780 10.889 520 3HD1 LEU 67 3HD1 LEU 67 -6.559 3.083 12.501 521 1HD2 LEU 67 1HD2 LEU 67 -8.287 6.250 11.729 522 2HD2 LEU 67 2HD2 LEU 67 -9.062 4.671 11.519 523 3HD2 LEU 67 3HD2 LEU 67 -8.022 4.979 12.924 524 H GLU 68 H GLU 68 -7.444 6.737 8.817 525 HA GLU 68 HA GLU 68 -8.769 8.822 10.482 526 1HB GLU 68 2HB GLU 68 -9.059 8.490 7.467 527 2HB GLU 68 3HB GLU 68 -9.995 9.560 8.506 528 1HG GLU 68 2HG GLU 68 -7.917 10.849 9.010 529 2HG GLU 68 3HG GLU 68 -7.034 9.824 7.863 Start of MODEL 22 1 1H MET 1 H1 MET 1 -13.436 3.854 4.187 2 2H MET 1 H2 MET 1 -15.078 4.110 4.449 3 3H MET 1 H3 MET 1 -14.188 4.807 3.216 4 HA MET 1 HA MET 1 -13.931 6.569 4.388 5 1HB MET 1 2HB MET 1 -14.909 4.967 6.762 6 2HB MET 1 3HB MET 1 -14.311 6.632 6.901 7 1HG MET 1 2HG MET 1 -15.977 7.327 5.171 8 2HG MET 1 3HG MET 1 -16.652 5.694 5.194 9 1HE MET 1 1HE MET 1 -18.175 5.560 8.826 10 2HE MET 1 2HE MET 1 -17.867 4.647 7.330 11 3HE MET 1 3HE MET 1 -16.520 5.059 8.428 12 HA PRO 2 HA PRO 2 -10.276 5.584 7.307 13 1HB PRO 2 2HB PRO 2 -9.504 2.916 7.626 14 2HB PRO 2 3HB PRO 2 -10.587 3.822 8.727 15 1HG PRO 2 2HG PRO 2 -11.303 2.004 6.413 16 2HG PRO 2 3HG PRO 2 -11.957 1.952 8.081 17 1HD PRO 2 2HD PRO 2 -13.336 3.149 6.169 18 2HD PRO 2 3HD PRO 2 -13.135 4.003 7.730 19 H LYS 3 H LYS 3 -8.898 6.485 5.822 20 HA LYS 3 HA LYS 3 -7.832 4.809 3.591 21 1HB LYS 3 2HB LYS 3 -6.896 7.111 2.860 22 2HB LYS 3 3HB LYS 3 -8.516 6.572 2.447 23 1HG LYS 3 2HG LYS 3 -9.460 7.910 4.322 24 2HG LYS 3 3HG LYS 3 -7.815 8.495 4.671 25 1HD LYS 3 2HD LYS 3 -7.696 9.590 2.500 26 2HD LYS 3 3HD LYS 3 -9.158 8.772 1.928 27 1HE LYS 3 2HE LYS 3 -9.535 11.179 2.553 28 2HE LYS 3 3HE LYS 3 -10.584 10.031 3.416 29 1HZ LYS 3 1HZ LYS 3 -9.192 10.214 5.335 30 2HZ LYS 3 2HZ LYS 3 -8.082 11.124 4.560 31 3HZ LYS 3 3HZ LYS 3 -9.492 11.747 4.940 32 H HIS 4 H HIS 4 -6.368 3.620 4.546 33 HA HIS 4 HA HIS 4 -4.558 4.549 6.639 34 1HB HIS 4 2HB HIS 4 -4.564 2.023 4.916 35 2HB HIS 4 3HB HIS 4 -3.646 2.267 6.385 36 HD1 HIS 4 1HD HIS 4 -7.374 1.954 5.290 37 HD2 HIS 4 2HD HIS 4 -4.734 1.390 8.527 38 HE1 HIS 4 1HE HIS 4 -8.653 0.644 7.081 39 H GLU 5 H GLU 5 -2.921 6.067 5.930 40 HA GLU 5 HA GLU 5 -1.912 5.728 3.209 41 1HB GLU 5 2HB GLU 5 -2.124 8.024 4.292 42 2HB GLU 5 3HB GLU 5 -0.799 7.569 5.353 43 1HG GLU 5 2HG GLU 5 0.331 6.962 2.914 44 2HG GLU 5 3HG GLU 5 -0.816 8.193 2.409 45 H PHE 6 H PHE 6 -0.179 4.628 2.646 46 HA PHE 6 HA PHE 6 1.973 3.991 4.608 47 1HB PHE 6 2HB PHE 6 1.006 2.288 2.272 48 2HB PHE 6 3HB PHE 6 2.491 2.006 3.180 49 HD1 PHE 6 1HD PHE 6 2.444 0.654 5.157 50 HD2 PHE 6 2HD PHE 6 -1.254 2.210 3.563 51 HE1 PHE 6 1HE PHE 6 1.165 -0.837 6.623 52 HE2 PHE 6 2HE PHE 6 -2.517 0.747 5.091 53 HZ PHE 6 HZ PHE 6 -1.318 -0.765 6.659 54 H SER 7 H SER 7 3.848 4.791 3.999 55 HA SER 7 HA SER 7 3.925 6.099 1.323 56 1HB SER 7 2HB SER 7 4.412 7.393 3.399 57 2HB SER 7 3HB SER 7 5.954 6.525 3.462 58 HG SER 7 HG SER 7 5.706 7.415 0.976 59 H VAL 8 H VAL 8 5.114 5.173 -0.150 60 HA VAL 8 HA VAL 8 6.444 2.555 0.448 61 HB VAL 8 HB VAL 8 4.399 3.151 -1.712 62 1HG1 VAL 8 1HG1 VAL 8 6.068 1.489 -2.456 63 2HG1 VAL 8 2HG1 VAL 8 5.759 0.520 -1.004 64 3HG1 VAL 8 3HG1 VAL 8 4.484 0.756 -2.208 65 1HG2 VAL 8 1HG2 VAL 8 4.135 1.506 0.818 66 2HG2 VAL 8 2HG2 VAL 8 3.200 2.944 0.388 67 3HG2 VAL 8 3HG2 VAL 8 2.983 1.431 -0.506 68 H ASP 9 H ASP 9 8.474 2.879 -0.246 69 HA ASP 9 HA ASP 9 9.249 4.490 -2.512 70 1HB ASP 9 2HB ASP 9 10.843 3.922 -0.838 71 2HB ASP 9 3HB ASP 9 10.582 2.175 -1.101 72 H MET 10 H MET 10 7.421 3.844 -3.806 73 HA MET 10 HA MET 10 8.158 1.600 -5.580 74 1HB MET 10 2HB MET 10 6.000 2.344 -6.834 75 2HB MET 10 3HB MET 10 5.874 1.355 -5.372 76 1HG MET 10 2HG MET 10 5.309 3.308 -4.050 77 2HG MET 10 3HG MET 10 5.506 4.363 -5.463 78 1HE MET 10 1HE MET 10 1.745 4.515 -4.709 79 2HE MET 10 2HE MET 10 3.048 4.307 -3.506 80 3HE MET 10 3HE MET 10 3.298 5.355 -4.909 81 H THR 11 H THR 11 9.979 2.332 -6.408 82 HA THR 11 HA THR 11 10.531 5.030 -6.783 83 HB THR 11 HB THR 11 12.147 2.842 -8.079 84 HG1 THR 11 1HG THR 11 11.815 3.033 -5.251 85 1HG2 THR 11 1HG2 THR 11 13.041 5.158 -7.821 86 2HG2 THR 11 2HG2 THR 11 12.847 5.025 -6.057 87 3HG2 THR 11 3HG2 THR 11 13.991 3.968 -6.907 88 H CYS 12 HN CYS 12 9.417 2.476 -8.992 89 HA CYS 12 HA CYS 12 8.845 4.459 -11.063 90 1HB CYS 12 2HB CYS 12 9.771 2.960 -12.823 91 2HB CYS 12 3HB CYS 12 11.014 3.628 -11.768 92 H GLY 13 H GLY 13 7.400 3.409 -12.689 93 1HA GLY 13 2HA GLY 13 5.013 2.713 -11.670 94 2HA GLY 13 3HA GLY 13 5.528 2.203 -13.283 95 H GLY 14 H GLY 14 7.442 0.315 -12.746 96 1HA GLY 14 2HA GLY 14 5.974 -1.991 -12.440 97 2HA GLY 14 3HA GLY 14 7.736 -1.886 -12.223 98 H CYS 15 HN CYS 15 7.543 -0.089 -9.845 99 HA CYS 15 HA CYS 15 7.259 -2.148 -7.821 100 1HB CYS 15 2HB CYS 15 7.435 0.850 -7.606 101 2HB CYS 15 3HB CYS 15 7.594 -0.329 -6.280 102 H ALA 16 H ALA 16 5.211 0.533 -9.074 103 HA ALA 16 HA ALA 16 3.191 0.311 -7.007 104 1HB ALA 16 1HB ALA 16 2.958 1.438 -9.825 105 2HB ALA 16 2HB ALA 16 1.796 1.625 -8.505 106 3HB ALA 16 3HB ALA 16 3.408 2.341 -8.359 107 H GLU 17 H GLU 17 3.647 -1.045 -10.304 108 HA GLU 17 HA GLU 17 1.273 -2.582 -10.443 109 1HB GLU 17 2HB GLU 17 4.053 -3.240 -11.504 110 2HB GLU 17 3HB GLU 17 2.564 -4.041 -11.989 111 1HG GLU 17 2HG GLU 17 1.695 -2.050 -13.009 112 2HG GLU 17 3HG GLU 17 2.962 -1.033 -12.312 113 H ALA 18 H ALA 18 4.496 -3.462 -9.079 114 HA ALA 18 HA ALA 18 3.774 -6.026 -8.152 115 1HB ALA 18 1HB ALA 18 5.703 -5.851 -6.655 116 2HB ALA 18 2HB ALA 18 6.115 -5.165 -8.247 117 3HB ALA 18 3HB ALA 18 5.752 -4.098 -6.871 118 H VAL 19 H VAL 19 3.660 -2.887 -6.361 119 HA VAL 19 HA VAL 19 2.668 -3.834 -3.941 120 HB VAL 19 HB VAL 19 2.306 -1.237 -5.495 121 1HG1 VAL 19 1HG1 VAL 19 1.622 -0.344 -3.201 122 2HG1 VAL 19 2HG1 VAL 19 0.419 -1.276 -4.096 123 3HG1 VAL 19 3HG1 VAL 19 1.348 -2.072 -2.781 124 1HG2 VAL 19 1HG2 VAL 19 4.619 -2.012 -4.447 125 2HG2 VAL 19 2HG2 VAL 19 4.029 -0.357 -4.226 126 3HG2 VAL 19 3HG2 VAL 19 3.847 -1.540 -2.923 127 H SER 20 H SER 20 0.936 -2.780 -6.881 128 HA SER 20 HA SER 20 -1.678 -3.101 -5.904 129 1HB SER 20 2HB SER 20 -0.893 -2.014 -8.098 130 2HB SER 20 3HB SER 20 -0.769 -3.611 -8.801 131 HG SER 20 HG SER 20 -3.173 -2.775 -7.568 132 H ARG 21 H ARG 21 0.309 -5.360 -7.774 133 HA ARG 21 HA ARG 21 -1.369 -7.602 -7.669 134 1HB ARG 21 2HB ARG 21 0.286 -8.403 -8.839 135 2HB ARG 21 3HB ARG 21 1.342 -7.079 -8.398 136 1HG ARG 21 2HG ARG 21 2.325 -8.286 -6.584 137 2HG ARG 21 3HG ARG 21 1.097 -9.552 -6.641 138 1HD ARG 21 2HD ARG 21 3.134 -10.386 -7.699 139 2HD ARG 21 3HD ARG 21 1.829 -10.261 -8.857 140 HE ARG 21 HE ARG 21 2.878 -8.583 -10.019 141 1HH1 ARG 21 2HH2 ARG 21 4.642 -9.119 -7.020 142 2HH1 ARG 21 1HH2 ARG 21 6.123 -8.391 -7.562 143 1HH2 ARG 21 2HH1 ARG 21 4.792 -7.523 -10.755 144 2HH2 ARG 21 1HH1 ARG 21 6.178 -7.404 -9.727 145 H VAL 22 H VAL 22 0.893 -6.462 -5.123 146 HA VAL 22 HA VAL 22 0.601 -8.741 -3.424 147 HB VAL 22 HB VAL 22 1.960 -6.142 -3.485 148 1HG1 VAL 22 1HG1 VAL 22 2.173 -5.865 -1.026 149 2HG1 VAL 22 2HG1 VAL 22 0.646 -5.343 -1.720 150 3HG1 VAL 22 3HG1 VAL 22 0.752 -6.891 -0.819 151 1HG2 VAL 22 1HG2 VAL 22 3.065 -8.288 -3.550 152 2HG2 VAL 22 2HG2 VAL 22 3.615 -7.245 -2.223 153 3HG2 VAL 22 3HG2 VAL 22 2.526 -8.616 -1.876 154 H LEU 23 H LEU 23 -0.885 -5.520 -3.432 155 HA LEU 23 HA LEU 23 -2.447 -5.954 -1.114 156 1HB LEU 23 2HB LEU 23 -2.168 -3.868 -3.160 157 2HB LEU 23 3HB LEU 23 -3.790 -3.932 -2.570 158 HG LEU 23 HG LEU 23 -1.317 -3.915 -0.772 159 1HD1 LEU 23 1HD1 LEU 23 -1.631 -1.528 -0.533 160 2HD1 LEU 23 2HD1 LEU 23 -1.409 -1.883 -2.250 161 3HD1 LEU 23 3HD1 LEU 23 -3.042 -1.553 -1.614 162 1HD2 LEU 23 1HD2 LEU 23 -2.892 -3.256 0.968 163 2HD2 LEU 23 2HD2 LEU 23 -4.181 -3.054 -0.246 164 3HD2 LEU 23 3HD2 LEU 23 -3.592 -4.669 0.165 165 H ASN 24 H ASN 24 -3.122 -6.284 -4.622 166 HA ASN 24 HA ASN 24 -5.855 -6.997 -4.470 167 1HB ASN 24 2HB ASN 24 -4.882 -6.548 -6.652 168 2HB ASN 24 3HB ASN 24 -3.679 -7.832 -6.434 169 1HD2 ASN 24 1HD2 ASN 24 -7.254 -7.646 -5.888 170 2HD2 ASN 24 2HD2 ASN 24 -7.584 -9.127 -6.763 171 H LYS 25 H LYS 25 -2.884 -9.075 -4.221 172 HA LYS 25 HA LYS 25 -4.351 -11.492 -4.049 173 1HB LYS 25 2HB LYS 25 -1.545 -10.591 -3.653 174 2HB LYS 25 3HB LYS 25 -2.038 -11.906 -2.621 175 1HG LYS 25 2HG LYS 25 -1.164 -12.871 -4.655 176 2HG LYS 25 3HG LYS 25 -2.898 -13.151 -4.638 177 1HD LYS 25 2HD LYS 25 -2.597 -10.651 -5.988 178 2HD LYS 25 3HD LYS 25 -1.193 -11.574 -6.480 179 1HE LYS 25 2HE LYS 25 -2.799 -12.043 -8.124 180 2HE LYS 25 3HE LYS 25 -2.864 -13.474 -7.088 181 1HZ LYS 25 1HZ LYS 25 -4.723 -11.162 -7.082 182 2HZ LYS 25 2HZ LYS 25 -5.053 -12.673 -7.617 183 3HZ LYS 25 3HZ LYS 25 -4.812 -12.411 -6.011 184 H LEU 26 H LEU 26 -3.510 -9.150 -1.500 185 HA LEU 26 HA LEU 26 -4.649 -10.605 0.693 186 1HB LEU 26 2HB LEU 26 -3.367 -8.806 1.223 187 2HB LEU 26 3HB LEU 26 -4.071 -7.735 0.057 188 HG LEU 26 HG LEU 26 -4.543 -6.974 2.223 189 1HD1 LEU 26 1HD1 LEU 26 -6.758 -6.500 2.137 190 2HD1 LEU 26 2HD1 LEU 26 -6.313 -6.773 0.418 191 3HD1 LEU 26 3HD1 LEU 26 -7.246 -7.981 1.340 192 1HD2 LEU 26 1HD2 LEU 26 -6.001 -8.054 3.758 193 2HD2 LEU 26 2HD2 LEU 26 -6.089 -9.520 2.740 194 3HD2 LEU 26 3HD2 LEU 26 -4.538 -9.063 3.501 195 H GLY 27 H GLY 27 -6.186 -8.279 -1.627 196 1HA GLY 27 2HA GLY 27 -8.148 -9.370 -2.725 197 2HA GLY 27 3HA GLY 27 -8.777 -9.759 -1.141 198 H GLY 28 H GLY 28 -9.626 -8.115 0.245 199 1HA GLY 28 2HA GLY 28 -11.436 -6.647 -1.460 200 2HA GLY 28 3HA GLY 28 -11.536 -6.879 0.289 201 H VAL 29 H VAL 29 -9.073 -5.364 -1.775 202 HA VAL 29 HA VAL 29 -9.185 -2.913 -0.056 203 HB VAL 29 HB VAL 29 -6.756 -2.692 -0.632 204 1HG1 VAL 29 1HG1 VAL 29 -7.417 -3.536 1.542 205 2HG1 VAL 29 2HG1 VAL 29 -7.750 -5.134 0.855 206 3HG1 VAL 29 3HG1 VAL 29 -6.076 -4.548 0.965 207 1HG2 VAL 29 1HG2 VAL 29 -6.982 -5.615 -1.507 208 2HG2 VAL 29 2HG2 VAL 29 -6.740 -4.268 -2.628 209 3HG2 VAL 29 3HG2 VAL 29 -5.532 -4.626 -1.385 210 H LYS 30 H LYS 30 -9.076 -0.885 -0.956 211 HA LYS 30 HA LYS 30 -8.418 -0.654 -3.759 212 1HB LYS 30 2HB LYS 30 -11.001 0.371 -2.551 213 2HB LYS 30 3HB LYS 30 -10.170 1.382 -3.742 214 1HG LYS 30 2HG LYS 30 -10.806 -1.532 -4.240 215 2HG LYS 30 3HG LYS 30 -11.920 -0.222 -4.667 216 1HD LYS 30 2HD LYS 30 -10.583 0.600 -6.393 217 2HD LYS 30 3HD LYS 30 -9.076 0.094 -5.665 218 1HE LYS 30 2HE LYS 30 -9.482 -1.238 -7.642 219 2HE LYS 30 3HE LYS 30 -9.472 -2.250 -6.191 220 1HZ LYS 30 1HZ LYS 30 -11.277 -2.819 -7.662 221 2HZ LYS 30 2HZ LYS 30 -11.873 -2.251 -6.241 222 3HZ LYS 30 3HZ LYS 30 -11.896 -1.298 -7.584 223 H TYR 31 H TYR 31 -7.256 1.225 -4.157 224 HA TYR 31 HA TYR 31 -6.385 2.755 -1.863 225 1HB TYR 31 2HB TYR 31 -4.009 1.861 -2.269 226 2HB TYR 31 3HB TYR 31 -5.123 0.826 -1.396 227 HD1 TYR 31 HD1 TYR 31 -6.242 -1.142 -2.474 228 HD2 TYR 31 HD2 TYR 31 -2.854 0.910 -4.150 229 HE1 TYR 31 HE1 TYR 31 -6.061 -2.881 -4.224 230 HE2 TYR 31 HE2 TYR 31 -2.499 -0.981 -5.708 231 HH TYR 31 HH TYR 31 -4.733 -3.762 -5.891 232 H ASP 32 H ASP 32 -5.527 4.663 -2.501 233 HA ASP 32 HA ASP 32 -5.261 5.127 -5.432 234 1HB ASP 32 2HB ASP 32 -6.509 6.840 -4.135 235 2HB ASP 32 3HB ASP 32 -5.058 7.136 -3.158 236 H ILE 33 H ILE 33 -3.218 6.043 -6.159 237 HA ILE 33 HA ILE 33 -0.823 4.915 -4.770 238 HB ILE 33 HB ILE 33 -2.008 4.368 -7.499 239 1HG1 ILE 33 2HG1 ILE 33 -0.973 2.340 -5.451 240 2HG1 ILE 33 3HG1 ILE 33 -2.640 2.952 -5.415 241 1HG2 ILE 33 1HG2 ILE 33 -0.023 3.072 -8.079 242 2HG2 ILE 33 2HG2 ILE 33 0.376 4.765 -7.852 243 3HG2 ILE 33 3HG2 ILE 33 0.770 3.595 -6.576 244 1HD1 ILE 33 1HD1 ILE 33 -1.436 1.296 -7.634 245 2HD1 ILE 33 2HD1 ILE 33 -2.914 1.026 -6.688 246 3HD1 ILE 33 3HD1 ILE 33 -2.885 2.303 -7.876 247 H ASP 34 H ASP 34 -0.011 6.956 -4.373 248 HA ASP 34 HA ASP 34 0.379 8.823 -6.670 249 1HB ASP 34 2HB ASP 34 -0.325 9.798 -4.503 250 2HB ASP 34 3HB ASP 34 1.182 9.163 -3.806 251 H LEU 35 H LEU 35 1.790 7.765 -7.878 252 HA LEU 35 HA LEU 35 4.109 6.317 -6.962 253 1HB LEU 35 2HB LEU 35 2.888 7.103 -9.553 254 2HB LEU 35 3HB LEU 35 4.644 7.096 -9.585 255 HG LEU 35 HG LEU 35 3.067 4.735 -8.497 256 1HD1 LEU 35 1HD1 LEU 35 2.291 5.184 -10.811 257 2HD1 LEU 35 2HD1 LEU 35 3.976 5.137 -11.380 258 3HD1 LEU 35 3HD1 LEU 35 3.216 3.682 -10.702 259 1HD2 LEU 35 1HD2 LEU 35 5.170 3.497 -9.192 260 2HD2 LEU 35 2HD2 LEU 35 5.875 5.038 -9.685 261 3HD2 LEU 35 3HD2 LEU 35 5.483 4.754 -7.979 262 HA PRO 36 HA PRO 36 6.605 10.160 -8.420 263 1HB PRO 36 2HB PRO 36 5.343 12.661 -8.102 264 2HB PRO 36 3HB PRO 36 5.665 11.794 -9.630 265 1HG PRO 36 2HG PRO 36 3.142 11.840 -7.997 266 2HG PRO 36 3HG PRO 36 3.306 11.898 -9.772 267 1HD PRO 36 2HD PRO 36 2.613 9.653 -8.521 268 2HD PRO 36 3HD PRO 36 3.755 9.562 -9.887 269 H ASN 37 H ASN 37 4.151 10.577 -5.833 270 HA ASN 37 HA ASN 37 6.289 11.557 -3.985 271 1HB ASN 37 2HB ASN 37 3.298 11.484 -3.522 272 2HB ASN 37 3HB ASN 37 4.515 12.206 -2.494 273 1HD2 ASN 37 1HD2 ASN 37 2.300 12.982 -4.908 274 2HD2 ASN 37 2HD2 ASN 37 3.028 14.512 -5.403 275 H LYS 38 H LYS 38 5.325 8.531 -4.863 276 HA LYS 38 HA LYS 38 5.623 6.510 -3.879 277 1HB LYS 38 2HB LYS 38 7.538 8.266 -2.258 278 2HB LYS 38 3HB LYS 38 7.447 6.549 -2.015 279 1HG LYS 38 2HG LYS 38 9.137 6.605 -3.554 280 2HG LYS 38 3HG LYS 38 7.748 6.359 -4.617 281 1HD LYS 38 2HD LYS 38 7.712 8.979 -4.745 282 2HD LYS 38 3HD LYS 38 9.333 8.899 -4.055 283 1HE LYS 38 2HE LYS 38 10.056 7.508 -6.007 284 2HE LYS 38 3HE LYS 38 8.388 7.484 -6.607 285 1HZ LYS 38 1HZ LYS 38 10.121 9.847 -6.398 286 2HZ LYS 38 2HZ LYS 38 9.529 9.148 -7.771 287 3HZ LYS 38 3HZ LYS 38 8.515 9.924 -6.715 288 H LYS 39 H LYS 39 3.166 7.077 -3.256 289 HA LYS 39 HA LYS 39 2.847 6.349 -0.438 290 1HB LYS 39 2HB LYS 39 1.995 8.965 -1.723 291 2HB LYS 39 3HB LYS 39 1.040 8.264 -0.427 292 1HG LYS 39 2HG LYS 39 3.005 8.226 1.023 293 2HG LYS 39 3HG LYS 39 3.997 8.959 -0.268 294 1HD LYS 39 2HD LYS 39 2.413 10.922 -0.295 295 2HD LYS 39 3HD LYS 39 1.626 10.234 1.137 296 1HE LYS 39 2HE LYS 39 4.513 11.207 0.860 297 2HE LYS 39 3HE LYS 39 3.235 11.857 1.908 298 1HZ LYS 39 1HZ LYS 39 4.628 10.524 3.247 299 2HZ LYS 39 2HZ LYS 39 3.250 9.647 3.005 300 3HZ LYS 39 3HZ LYS 39 4.621 9.260 2.184 301 H VAL 40 H VAL 40 1.026 5.258 0.029 302 HA VAL 40 HA VAL 40 -0.883 4.723 -2.152 303 HB VAL 40 HB VAL 40 0.190 2.702 -0.133 304 1HG1 VAL 40 1HG1 VAL 40 -1.042 1.086 -1.510 305 2HG1 VAL 40 2HG1 VAL 40 -2.137 2.373 -0.964 306 3HG1 VAL 40 3HG1 VAL 40 -1.532 2.382 -2.629 307 1HG2 VAL 40 1HG2 VAL 40 0.820 3.030 -3.090 308 2HG2 VAL 40 2HG2 VAL 40 1.957 3.240 -1.726 309 3HG2 VAL 40 3HG2 VAL 40 1.283 1.641 -2.079 310 H CYS 41 H CYS 41 -2.924 5.229 -1.436 311 HA CYS 41 HA CYS 41 -3.418 5.551 1.532 312 1HB CYS 41 2HB CYS 41 -4.663 6.906 -0.888 313 2HB CYS 41 3HB CYS 41 -5.269 7.057 0.772 314 HG CYS 41 HG CYS 41 -3.965 9.215 0.079 315 H ILE 42 H ILE 42 -4.148 3.589 2.150 316 HA ILE 42 HA ILE 42 -5.808 2.148 0.250 317 HB ILE 42 HB ILE 42 -4.725 1.094 2.876 318 1HG1 ILE 42 2HG1 ILE 42 -3.471 1.015 0.116 319 2HG1 ILE 42 3HG1 ILE 42 -2.868 1.912 1.530 320 1HG2 ILE 42 1HG2 ILE 42 -6.564 -0.185 1.967 321 2HG2 ILE 42 2HG2 ILE 42 -5.883 -0.155 0.342 322 3HG2 ILE 42 3HG2 ILE 42 -5.105 -1.103 1.595 323 1HD1 ILE 42 1HD1 ILE 42 -2.939 -1.095 1.366 324 2HD1 ILE 42 2HD1 ILE 42 -1.561 -0.039 1.097 325 3HD1 ILE 42 3HD1 ILE 42 -2.286 -0.104 2.689 326 H GLU 43 H GLU 43 -7.923 2.373 0.286 327 HA GLU 43 HA GLU 43 -9.285 3.194 2.796 328 1HB GLU 43 2HB GLU 43 -9.224 4.519 0.461 329 2HB GLU 43 3HB GLU 43 -10.616 3.482 0.125 330 1HG GLU 43 2HG GLU 43 -10.291 5.198 2.648 331 2HG GLU 43 3HG GLU 43 -11.099 5.750 1.173 332 H SER 44 H SER 44 -9.707 1.235 3.781 333 HA SER 44 HA SER 44 -11.720 -0.433 2.593 334 1HB SER 44 2HB SER 44 -10.414 -2.538 2.528 335 2HB SER 44 3HB SER 44 -9.775 -1.338 1.401 336 HG SER 44 HG SER 44 -8.301 -0.776 3.208 337 H GLU 45 H GLU 45 -12.345 -2.201 4.113 338 HA GLU 45 HA GLU 45 -12.191 -1.299 6.878 339 1HB GLU 45 2HB GLU 45 -13.775 -3.159 7.263 340 2HB GLU 45 3HB GLU 45 -14.319 -1.990 6.056 341 1HG GLU 45 2HG GLU 45 -13.721 -3.536 4.228 342 2HG GLU 45 3HG GLU 45 -13.037 -4.676 5.406 343 H HIS 46 H HIS 46 -10.069 -3.142 5.036 344 HA HIS 46 HA HIS 46 -9.487 -5.299 6.868 345 1HB HIS 46 2HB HIS 46 -7.904 -3.927 4.670 346 2HB HIS 46 3HB HIS 46 -7.227 -5.222 5.659 347 HD1 HIS 46 1HD HIS 46 -8.272 -7.699 5.335 348 HD2 HIS 46 2HD HIS 46 -9.524 -4.687 2.686 349 HE1 HIS 46 1HE HIS 46 -9.268 -8.882 3.308 350 H SER 47 H SER 47 -8.108 -5.336 8.619 351 HA SER 47 HA SER 47 -7.662 -2.897 10.007 352 1HB SER 47 2HB SER 47 -7.904 -5.059 11.158 353 2HB SER 47 3HB SER 47 -6.380 -5.630 10.447 354 HG SER 47 HG SER 47 -6.128 -4.774 12.574 355 H MET 48 H MET 48 -5.747 -1.815 10.516 356 HA MET 48 HA MET 48 -3.855 -1.416 8.485 357 1HB MET 48 2HB MET 48 -2.696 0.003 9.923 358 2HB MET 48 3HB MET 48 -4.401 0.137 10.393 359 1HG MET 48 2HG MET 48 -3.899 -1.641 12.131 360 2HG MET 48 3HG MET 48 -2.173 -1.345 11.795 361 1HE MET 48 1HE MET 48 -1.735 -0.880 14.343 362 2HE MET 48 2HE MET 48 -2.664 0.294 15.306 363 3HE MET 48 3HE MET 48 -3.457 -1.177 14.695 364 H ASP 49 H ASP 49 -3.901 -3.707 11.182 365 HA ASP 49 HA ASP 49 -1.286 -4.820 11.101 366 1HB ASP 49 2HB ASP 49 -2.567 -5.730 12.811 367 2HB ASP 49 3HB ASP 49 -4.065 -5.688 11.879 368 H THR 50 H THR 50 -4.210 -5.968 9.430 369 HA THR 50 HA THR 50 -2.905 -7.938 8.008 370 HB THR 50 HB THR 50 -5.477 -6.633 7.072 371 HG1 THR 50 1HG THR 50 -4.923 -7.828 9.579 372 1HG2 THR 50 1HG2 THR 50 -6.191 -8.969 6.805 373 2HG2 THR 50 2HG2 THR 50 -4.655 -8.714 5.947 374 3HG2 THR 50 3HG2 THR 50 -4.670 -9.545 7.518 375 H LEU 51 H LEU 51 -3.820 -4.609 7.071 376 HA LEU 51 HA LEU 51 -2.727 -4.689 4.419 377 1HB LEU 51 2HB LEU 51 -3.014 -2.384 6.385 378 2HB LEU 51 3HB LEU 51 -2.428 -2.244 4.727 379 HG LEU 51 HG LEU 51 -5.207 -2.785 5.760 380 1HD1 LEU 51 1HD1 LEU 51 -5.710 -1.122 3.974 381 2HD1 LEU 51 2HD1 LEU 51 -4.432 -0.525 5.048 382 3HD1 LEU 51 3HD1 LEU 51 -3.999 -1.192 3.459 383 1HD2 LEU 51 1HD2 LEU 51 -5.004 -4.696 4.242 384 2HD2 LEU 51 2HD2 LEU 51 -5.954 -3.433 3.460 385 3HD2 LEU 51 3HD2 LEU 51 -4.266 -3.663 2.988 386 H LEU 52 H LEU 52 -1.186 -3.815 7.544 387 HA LEU 52 HA LEU 52 1.305 -3.035 6.551 388 1HB LEU 52 2HB LEU 52 0.318 -4.176 9.150 389 2HB LEU 52 3HB LEU 52 1.958 -4.603 8.742 390 HG LEU 52 HG LEU 52 1.964 -2.854 10.282 391 1HD1 LEU 52 1HD1 LEU 52 3.318 -1.143 9.187 392 2HD1 LEU 52 2HD1 LEU 52 3.772 -2.798 8.759 393 3HD1 LEU 52 3HD1 LEU 52 2.876 -1.791 7.599 394 1HD2 LEU 52 1HD2 LEU 52 1.078 -0.566 9.778 395 2HD2 LEU 52 2HD2 LEU 52 0.107 -1.306 8.484 396 3HD2 LEU 52 3HD2 LEU 52 -0.097 -1.816 10.164 397 H ALA 53 H ALA 53 0.367 -6.294 7.695 398 HA ALA 53 HA ALA 53 2.742 -7.600 6.911 399 1HB ALA 53 1HB ALA 53 1.396 -9.683 7.102 400 2HB ALA 53 2HB ALA 53 1.058 -8.573 8.447 401 3HB ALA 53 3HB ALA 53 -0.101 -8.724 7.110 402 H THR 54 H THR 54 -0.350 -7.205 5.085 403 HA THR 54 HA THR 54 0.366 -8.575 2.753 404 HB THR 54 HB THR 54 -1.357 -6.117 3.231 405 HG1 THR 54 1HG THR 54 -2.154 -7.870 4.241 406 1HG2 THR 54 1HG2 THR 54 -0.755 -6.127 0.879 407 2HG2 THR 54 2HG2 THR 54 -1.210 -7.849 0.753 408 3HG2 THR 54 3HG2 THR 54 -2.426 -6.598 1.136 409 H LEU 55 H LEU 55 0.943 -5.104 3.573 410 HA LEU 55 HA LEU 55 1.870 -4.610 0.864 411 1HB LEU 55 2HB LEU 55 1.130 -3.100 3.231 412 2HB LEU 55 3HB LEU 55 2.614 -2.452 2.515 413 HG LEU 55 HG LEU 55 -0.203 -2.546 1.461 414 1HD1 LEU 55 1HD1 LEU 55 0.305 -0.693 2.834 415 2HD1 LEU 55 2HD1 LEU 55 1.923 -0.451 2.139 416 3HD1 LEU 55 3HD1 LEU 55 0.518 -0.041 1.191 417 1HD2 LEU 55 1HD2 LEU 55 1.007 -3.163 -0.503 418 2HD2 LEU 55 2HD2 LEU 55 0.657 -1.436 -0.577 419 3HD2 LEU 55 3HD2 LEU 55 2.305 -1.978 -0.155 420 H LYS 56 H LYS 56 3.363 -5.194 4.045 421 HA LYS 56 HA LYS 56 6.022 -4.572 3.343 422 1HB LYS 56 2HB LYS 56 4.653 -6.173 5.486 423 2HB LYS 56 3HB LYS 56 6.338 -6.537 5.194 424 1HG LYS 56 2HG LYS 56 6.215 -4.890 6.871 425 2HG LYS 56 3HG LYS 56 6.970 -4.173 5.431 426 1HD LYS 56 2HD LYS 56 4.435 -3.375 4.980 427 2HD LYS 56 3HD LYS 56 4.264 -3.642 6.697 428 1HE LYS 56 2HE LYS 56 6.201 -1.774 5.227 429 2HE LYS 56 3HE LYS 56 4.720 -1.301 6.072 430 1HZ LYS 56 1HZ LYS 56 5.817 -2.057 8.131 431 2HZ LYS 56 2HZ LYS 56 7.214 -2.286 7.280 432 3HZ LYS 56 3HZ LYS 56 6.562 -0.781 7.420 433 H LYS 57 H LYS 57 4.112 -7.382 2.401 434 HA LYS 57 HA LYS 57 6.297 -9.065 1.685 435 1HB LYS 57 2HB LYS 57 3.540 -8.844 0.427 436 2HB LYS 57 3HB LYS 57 4.740 -10.069 0.016 437 1HG LYS 57 2HG LYS 57 4.848 -10.808 2.372 438 2HG LYS 57 3HG LYS 57 3.578 -9.677 2.809 439 1HD LYS 57 2HD LYS 57 3.182 -11.753 0.610 440 2HD LYS 57 3HD LYS 57 2.996 -12.181 2.320 441 1HE LYS 57 2HE LYS 57 1.293 -10.522 2.669 442 2HE LYS 57 3HE LYS 57 1.474 -9.876 1.019 443 1HZ LYS 57 1HZ LYS 57 0.660 -11.986 0.199 444 2HZ LYS 57 2HZ LYS 57 0.492 -12.564 1.734 445 3HZ LYS 57 3HZ LYS 57 -0.425 -11.300 1.227 446 H THR 58 H THR 58 5.363 -6.026 0.190 447 HA THR 58 HA THR 58 6.666 -6.501 -2.375 448 HB THR 58 HB THR 58 6.744 -4.100 -2.552 449 HG1 THR 58 1HG THR 58 5.677 -3.921 0.071 450 1HG2 THR 58 1HG2 THR 58 4.613 -5.143 -3.012 451 2HG2 THR 58 2HG2 THR 58 4.166 -5.042 -1.292 452 3HG2 THR 58 3HG2 THR 58 4.373 -3.561 -2.227 453 H GLY 59 H GLY 59 7.741 -5.756 0.867 454 1HA GLY 59 2HA GLY 59 9.641 -5.316 1.815 455 2HA GLY 59 3HA GLY 59 10.397 -6.456 0.673 456 H LYS 60 H LYS 60 8.898 -3.260 0.035 457 HA LYS 60 HA LYS 60 11.501 -2.181 -0.955 458 1HB LYS 60 2HB LYS 60 8.821 -0.758 -0.885 459 2HB LYS 60 3HB LYS 60 10.240 -0.369 -1.860 460 1HG LYS 60 2HG LYS 60 8.444 -2.789 -2.159 461 2HG LYS 60 3HG LYS 60 8.354 -1.357 -3.159 462 1HD LYS 60 2HD LYS 60 11.067 -2.657 -3.094 463 2HD LYS 60 3HD LYS 60 9.766 -3.675 -3.692 464 1HE LYS 60 2HE LYS 60 10.799 -2.513 -5.567 465 2HE LYS 60 3HE LYS 60 9.124 -2.007 -5.363 466 1HZ LYS 60 1HZ LYS 60 10.434 -0.171 -5.839 467 2HZ LYS 60 2HZ LYS 60 10.008 0.040 -4.266 468 3HZ LYS 60 3HZ LYS 60 11.532 -0.443 -4.638 469 H THR 61 H THR 61 11.763 0.266 -0.231 470 HA THR 61 HA THR 61 11.647 0.586 2.599 471 HB THR 61 HB THR 61 11.789 2.992 0.947 472 HG1 THR 61 1HG THR 61 12.979 2.121 -0.634 473 1HG2 THR 61 1HG2 THR 61 13.815 1.614 2.740 474 2HG2 THR 61 2HG2 THR 61 13.918 3.271 2.117 475 3HG2 THR 61 3HG2 THR 61 12.632 2.840 3.265 476 H VAL 62 H VAL 62 9.432 -0.176 2.781 477 HA VAL 62 HA VAL 62 7.408 1.995 2.433 478 HB VAL 62 HB VAL 62 6.637 0.289 1.051 479 1HG1 VAL 62 1HG1 VAL 62 7.398 -1.731 3.177 480 2HG1 VAL 62 2HG1 VAL 62 6.277 -2.085 1.847 481 3HG1 VAL 62 3HG1 VAL 62 7.937 -1.622 1.485 482 1HG2 VAL 62 1HG2 VAL 62 4.947 1.139 2.782 483 2HG2 VAL 62 2HG2 VAL 62 4.561 -0.416 2.009 484 3HG2 VAL 62 3HG2 VAL 62 5.198 -0.379 3.649 485 H SER 63 H SER 63 6.213 2.687 4.155 486 HA SER 63 HA SER 63 5.526 0.773 6.030 487 1HB SER 63 2HB SER 63 7.902 1.860 6.937 488 2HB SER 63 3HB SER 63 6.703 2.851 7.771 489 HG SER 63 HG SER 63 7.048 1.011 8.981 490 H TYR 64 H TYR 64 4.373 1.798 7.992 491 HA TYR 64 HA TYR 64 2.044 2.965 6.697 492 1HB TYR 64 2HB TYR 64 1.936 0.926 8.070 493 2HB TYR 64 3HB TYR 64 2.602 1.794 9.444 494 HD1 TYR 64 HD1 TYR 64 -0.223 2.571 7.035 495 HD2 TYR 64 HD2 TYR 64 1.000 1.952 11.129 496 HE1 TYR 64 HE1 TYR 64 -2.424 3.333 7.826 497 HE2 TYR 64 HE2 TYR 64 -1.276 2.553 11.890 498 HH TYR 64 HH TYR 64 -3.795 3.671 9.629 499 H LEU 65 H LEU 65 0.994 4.854 7.289 500 HA LEU 65 HA LEU 65 2.295 6.690 9.237 501 1HB LEU 65 2HB LEU 65 0.969 7.289 6.596 502 2HB LEU 65 3HB LEU 65 1.277 8.488 7.853 503 HG LEU 65 HG LEU 65 3.756 7.453 7.789 504 1HD1 LEU 65 1HD1 LEU 65 2.714 7.018 4.958 505 2HD1 LEU 65 2HD1 LEU 65 4.412 6.891 5.524 506 3HD1 LEU 65 3HD1 LEU 65 3.205 5.737 6.074 507 1HD2 LEU 65 1HD2 LEU 65 2.593 9.435 5.822 508 2HD2 LEU 65 2HD2 LEU 65 3.176 9.759 7.474 509 3HD2 LEU 65 3HD2 LEU 65 4.325 9.258 6.211 510 H GLY 66 H GLY 66 0.347 8.453 9.691 511 1HA GLY 66 2HA GLY 66 -1.383 7.085 11.473 512 2HA GLY 66 3HA GLY 66 -1.532 8.776 10.962 513 H LEU 67 H LEU 67 -3.693 6.893 11.435 514 HA LEU 67 HA LEU 67 -4.843 6.265 8.826 515 1HB LEU 67 2HB LEU 67 -5.265 4.866 10.863 516 2HB LEU 67 3HB LEU 67 -6.003 6.263 11.651 517 HG LEU 67 HG LEU 67 -7.807 6.291 9.963 518 1HD1 LEU 67 1HD1 LEU 67 -8.003 4.326 8.414 519 2HD1 LEU 67 2HD1 LEU 67 -6.673 5.379 7.977 520 3HD1 LEU 67 3HD1 LEU 67 -6.349 3.858 8.839 521 1HD2 LEU 67 1HD2 LEU 67 -8.049 4.956 12.030 522 2HD2 LEU 67 2HD2 LEU 67 -8.914 4.216 10.672 523 3HD2 LEU 67 3HD2 LEU 67 -7.357 3.543 11.202 524 H GLU 68 H GLU 68 -6.683 7.456 7.907 525 HA GLU 68 HA GLU 68 -7.792 9.724 9.181 526 1HB GLU 68 2HB GLU 68 -5.518 10.515 8.276 527 2HB GLU 68 3HB GLU 68 -6.118 10.196 6.660 528 1HG GLU 68 2HG GLU 68 -7.753 12.003 8.477 529 2HG GLU 68 3HG GLU 68 -6.179 12.608 7.939 Start of MODEL 23 1 1H MET 1 H1 MET 1 -15.523 3.361 7.645 2 2H MET 1 H2 MET 1 -15.853 1.918 6.920 3 3H MET 1 H3 MET 1 -14.567 2.038 7.906 4 HA MET 1 HA MET 1 -13.807 2.013 5.680 5 1HB MET 1 2HB MET 1 -14.533 3.775 4.098 6 2HB MET 1 3HB MET 1 -15.781 2.615 4.547 7 1HG MET 1 2HG MET 1 -16.831 4.226 6.059 8 2HG MET 1 3HG MET 1 -15.556 5.414 5.730 9 1HE MET 1 1HE MET 1 -17.353 7.232 5.255 10 2HE MET 1 2HE MET 1 -18.695 7.015 4.108 11 3HE MET 1 3HE MET 1 -18.638 6.046 5.598 12 HA PRO 2 HA PRO 2 -11.229 5.254 7.831 13 1HB PRO 2 2HB PRO 2 -9.181 3.637 8.556 14 2HB PRO 2 3HB PRO 2 -10.593 3.906 9.627 15 1HG PRO 2 2HG PRO 2 -10.137 1.592 7.691 16 2HG PRO 2 3HG PRO 2 -10.595 1.482 9.419 17 1HD PRO 2 2HD PRO 2 -12.479 1.342 7.512 18 2HD PRO 2 3HD PRO 2 -12.767 2.335 8.969 19 H LYS 3 H LYS 3 -8.942 5.611 7.227 20 HA LYS 3 HA LYS 3 -8.143 4.487 4.572 21 1HB LYS 3 2HB LYS 3 -8.885 6.805 4.316 22 2HB LYS 3 3HB LYS 3 -7.928 7.253 5.729 23 1HG LYS 3 2HG LYS 3 -5.832 6.776 4.464 24 2HG LYS 3 3HG LYS 3 -6.788 6.233 3.073 25 1HD LYS 3 2HD LYS 3 -5.833 8.582 2.932 26 2HD LYS 3 3HD LYS 3 -7.581 8.453 2.637 27 1HE LYS 3 2HE LYS 3 -8.165 9.351 4.744 28 2HE LYS 3 3HE LYS 3 -6.573 8.958 5.438 29 1HZ LYS 3 1HZ LYS 3 -6.695 11.065 3.425 30 2HZ LYS 3 2HZ LYS 3 -7.106 11.290 5.037 31 3HZ LYS 3 3HZ LYS 3 -5.660 10.764 4.744 32 H HIS 4 H HIS 4 -6.028 3.894 4.435 33 HA HIS 4 HA HIS 4 -4.251 4.143 6.815 34 1HB HIS 4 2HB HIS 4 -4.660 1.687 5.050 35 2HB HIS 4 3HB HIS 4 -3.595 1.805 6.443 36 HD1 HIS 4 1HD HIS 4 -6.163 3.334 8.120 37 HD2 HIS 4 2HD HIS 4 -5.901 -0.420 6.234 38 HE1 HIS 4 1HE HIS 4 -7.863 1.785 9.268 39 H GLU 5 H GLU 5 -2.714 5.579 6.002 40 HA GLU 5 HA GLU 5 -2.011 5.377 3.139 41 1HB GLU 5 2HB GLU 5 -2.752 7.549 4.295 42 2HB GLU 5 3HB GLU 5 -1.163 7.590 5.041 43 1HG GLU 5 2HG GLU 5 -1.147 7.154 2.066 44 2HG GLU 5 3HG GLU 5 -1.861 8.682 2.613 45 H PHE 6 H PHE 6 0.013 4.811 2.470 46 HA PHE 6 HA PHE 6 2.137 4.285 4.495 47 1HB PHE 6 2HB PHE 6 1.306 2.522 2.162 48 2HB PHE 6 3HB PHE 6 2.824 2.354 3.030 49 HD1 PHE 6 1HD PHE 6 2.955 0.822 4.847 50 HD2 PHE 6 2HD PHE 6 -0.909 2.368 3.668 51 HE1 PHE 6 1HE PHE 6 1.864 -0.899 6.156 52 HE2 PHE 6 2HE PHE 6 -1.992 0.714 5.145 53 HZ PHE 6 HZ PHE 6 -0.633 -0.979 6.340 54 H SER 7 H SER 7 4.019 5.173 3.939 55 HA SER 7 HA SER 7 4.343 6.377 1.222 56 1HB SER 7 2HB SER 7 4.941 7.814 3.124 57 2HB SER 7 3HB SER 7 6.125 6.611 3.674 58 HG SER 7 HG SER 7 6.177 7.724 1.046 59 H VAL 8 H VAL 8 6.000 5.583 -0.122 60 HA VAL 8 HA VAL 8 7.232 2.990 0.571 61 HB VAL 8 HB VAL 8 5.509 3.492 -1.904 62 1HG1 VAL 8 1HG1 VAL 8 6.871 0.991 -0.837 63 2HG1 VAL 8 2HG1 VAL 8 5.632 0.958 -2.103 64 3HG1 VAL 8 3HG1 VAL 8 7.153 1.759 -2.415 65 1HG2 VAL 8 1HG2 VAL 8 3.964 3.340 -0.059 66 2HG2 VAL 8 2HG2 VAL 8 3.960 1.772 -0.863 67 3HG2 VAL 8 3HG2 VAL 8 4.858 1.974 0.644 68 H ASP 9 H ASP 9 8.711 2.436 -1.372 69 HA ASP 9 HA ASP 9 9.680 4.891 -2.753 70 1HB ASP 9 2HB ASP 9 11.411 4.151 -1.199 71 2HB ASP 9 3HB ASP 9 11.400 2.525 -1.936 72 H MET 10 H MET 10 7.594 3.953 -3.785 73 HA MET 10 HA MET 10 8.104 1.691 -5.546 74 1HB MET 10 2HB MET 10 5.833 2.144 -6.445 75 2HB MET 10 3HB MET 10 5.898 1.798 -4.715 76 1HG MET 10 2HG MET 10 5.442 4.043 -4.124 77 2HG MET 10 3HG MET 10 5.843 4.659 -5.724 78 1HE MET 10 1HE MET 10 3.609 1.451 -5.313 79 2HE MET 10 2HE MET 10 3.313 2.348 -3.805 80 3HE MET 10 3HE MET 10 2.023 2.188 -5.031 81 H THR 11 H THR 11 10.078 2.917 -6.262 82 HA THR 11 HA THR 11 9.617 5.424 -7.499 83 HB THR 11 HB THR 11 11.580 4.635 -6.097 84 HG1 THR 11 1HG THR 11 11.955 6.105 -8.479 85 1HG2 THR 11 1HG2 THR 11 12.736 3.781 -8.779 86 2HG2 THR 11 2HG2 THR 11 13.557 3.852 -7.209 87 3HG2 THR 11 3HG2 THR 11 12.250 2.684 -7.466 88 H CYS 12 HN CYS 12 8.777 2.706 -9.063 89 HA CYS 12 HA CYS 12 8.804 4.164 -11.511 90 1HB CYS 12 2HB CYS 12 9.867 2.580 -12.951 91 2HB CYS 12 3HB CYS 12 11.013 2.944 -11.668 92 H GLY 13 H GLY 13 7.438 3.031 -13.094 93 1HA GLY 13 2HA GLY 13 4.912 2.253 -12.331 94 2HA GLY 13 3HA GLY 13 5.707 1.733 -13.814 95 H GLY 14 H GLY 14 7.789 0.175 -12.710 96 1HA GLY 14 2HA GLY 14 6.478 -2.306 -12.520 97 2HA GLY 14 3HA GLY 14 8.203 -1.976 -12.186 98 H CYS 15 HN CYS 15 7.816 -0.141 -9.967 99 HA CYS 15 HA CYS 15 7.426 -2.117 -7.853 100 1HB CYS 15 2HB CYS 15 7.640 0.895 -7.722 101 2HB CYS 15 3HB CYS 15 7.627 -0.245 -6.354 102 H ALA 16 H ALA 16 5.566 0.640 -9.234 103 HA ALA 16 HA ALA 16 3.383 0.461 -7.424 104 1HB ALA 16 1HB ALA 16 3.616 2.357 -8.856 105 2HB ALA 16 2HB ALA 16 3.383 1.367 -10.321 106 3HB ALA 16 3HB ALA 16 2.052 1.588 -9.168 107 H GLU 17 H GLU 17 3.870 -1.256 -10.581 108 HA GLU 17 HA GLU 17 1.550 -2.787 -10.571 109 1HB GLU 17 2HB GLU 17 3.108 -2.523 -12.401 110 2HB GLU 17 3HB GLU 17 4.395 -3.345 -11.521 111 1HG GLU 17 2HG GLU 17 1.771 -4.731 -12.197 112 2HG GLU 17 3HG GLU 17 3.186 -4.563 -13.263 113 H ALA 18 H ALA 18 4.807 -3.676 -9.214 114 HA ALA 18 HA ALA 18 4.030 -6.150 -8.159 115 1HB ALA 18 1HB ALA 18 5.977 -5.916 -6.658 116 2HB ALA 18 2HB ALA 18 6.371 -5.348 -8.300 117 3HB ALA 18 3HB ALA 18 6.044 -4.175 -7.001 118 H VAL 19 H VAL 19 3.946 -2.937 -6.531 119 HA VAL 19 HA VAL 19 2.981 -3.810 -4.035 120 HB VAL 19 HB VAL 19 2.755 -1.208 -5.608 121 1HG1 VAL 19 1HG1 VAL 19 2.198 -0.273 -3.303 122 2HG1 VAL 19 2HG1 VAL 19 0.909 -1.168 -4.130 123 3HG1 VAL 19 3HG1 VAL 19 1.856 -1.975 -2.843 124 1HG2 VAL 19 1HG2 VAL 19 5.065 -2.060 -4.708 125 2HG2 VAL 19 2HG2 VAL 19 4.558 -0.416 -4.298 126 3HG2 VAL 19 3HG2 VAL 19 4.409 -1.702 -3.108 127 H SER 20 H SER 20 1.284 -2.699 -6.971 128 HA SER 20 HA SER 20 -1.346 -2.857 -5.961 129 1HB SER 20 2HB SER 20 -0.587 -1.835 -8.161 130 2HB SER 20 3HB SER 20 -0.380 -3.422 -8.836 131 HG SER 20 HG SER 20 -2.382 -2.612 -9.420 132 H ARG 21 H ARG 21 0.528 -5.223 -7.766 133 HA ARG 21 HA ARG 21 -1.267 -7.358 -7.747 134 1HB ARG 21 2HB ARG 21 0.336 -8.235 -8.932 135 2HB ARG 21 3HB ARG 21 1.404 -6.919 -8.557 136 1HG ARG 21 2HG ARG 21 2.467 -8.107 -6.770 137 2HG ARG 21 3HG ARG 21 1.237 -9.366 -6.765 138 1HD ARG 21 2HD ARG 21 3.153 -10.221 -7.822 139 2HD ARG 21 3HD ARG 21 1.920 -10.033 -9.069 140 HE ARG 21 HE ARG 21 3.067 -7.843 -9.719 141 1HH1 ARG 21 2HH2 ARG 21 4.906 -10.637 -8.498 142 2HH1 ARG 21 1HH2 ARG 21 6.385 -10.131 -9.248 143 1HH2 ARG 21 2HH1 ARG 21 5.001 -7.235 -10.732 144 2HH2 ARG 21 1HH1 ARG 21 6.443 -8.159 -10.527 145 H VAL 22 H VAL 22 1.125 -6.484 -5.160 146 HA VAL 22 HA VAL 22 0.672 -8.779 -3.547 147 HB VAL 22 HB VAL 22 2.007 -6.066 -3.456 148 1HG1 VAL 22 1HG1 VAL 22 1.066 -5.873 -1.460 149 2HG1 VAL 22 2HG1 VAL 22 1.279 -7.604 -1.008 150 3HG1 VAL 22 3HG1 VAL 22 2.683 -6.513 -1.107 151 1HG2 VAL 22 1HG2 VAL 22 3.050 -8.807 -2.771 152 2HG2 VAL 22 2HG2 VAL 22 3.154 -8.023 -4.371 153 3HG2 VAL 22 3HG2 VAL 22 3.960 -7.283 -2.977 154 H LEU 23 H LEU 23 -0.559 -5.411 -3.466 155 HA LEU 23 HA LEU 23 -2.295 -5.886 -1.198 156 1HB LEU 23 2HB LEU 23 -1.744 -3.693 -3.107 157 2HB LEU 23 3HB LEU 23 -3.389 -3.714 -2.584 158 HG LEU 23 HG LEU 23 -0.968 -3.865 -0.701 159 1HD1 LEU 23 1HD1 LEU 23 -1.435 -1.437 -0.343 160 2HD1 LEU 23 2HD1 LEU 23 -1.006 -1.751 -2.044 161 3HD1 LEU 23 3HD1 LEU 23 -2.709 -1.559 -1.572 162 1HD2 LEU 23 1HD2 LEU 23 -2.667 -3.074 0.964 163 2HD2 LEU 23 2HD2 LEU 23 -3.900 -3.146 -0.319 164 3HD2 LEU 23 3HD2 LEU 23 -3.159 -4.636 0.285 165 H ASN 24 H ASN 24 -2.715 -6.275 -4.719 166 HA ASN 24 HA ASN 24 -5.532 -6.665 -4.561 167 1HB ASN 24 2HB ASN 24 -4.529 -6.120 -6.695 168 2HB ASN 24 3HB ASN 24 -3.502 -7.565 -6.641 169 1HD2 ASN 24 1HD2 ASN 24 -7.011 -7.163 -5.802 170 2HD2 ASN 24 2HD2 ASN 24 -7.463 -8.503 -6.838 171 H LYS 25 H LYS 25 -2.757 -8.850 -4.261 172 HA LYS 25 HA LYS 25 -4.081 -11.267 -3.981 173 1HB LYS 25 2HB LYS 25 -1.509 -10.465 -3.584 174 2HB LYS 25 3HB LYS 25 -1.977 -10.762 -1.911 175 1HG LYS 25 2HG LYS 25 -2.079 -12.700 -4.267 176 2HG LYS 25 3HG LYS 25 -0.946 -12.729 -2.906 177 1HD LYS 25 2HD LYS 25 -2.918 -13.080 -1.357 178 2HD LYS 25 3HD LYS 25 -3.952 -13.232 -2.796 179 1HE LYS 25 2HE LYS 25 -2.551 -15.131 -3.604 180 2HE LYS 25 3HE LYS 25 -1.613 -15.055 -2.100 181 1HZ LYS 25 1HZ LYS 25 -4.511 -15.576 -2.296 182 2HZ LYS 25 2HZ LYS 25 -3.352 -16.702 -1.995 183 3HZ LYS 25 3HZ LYS 25 -3.651 -15.514 -0.897 184 H LEU 26 H LEU 26 -3.862 -8.660 -1.531 185 HA LEU 26 HA LEU 26 -5.555 -9.984 0.451 186 1HB LEU 26 2HB LEU 26 -3.976 -8.256 1.058 187 2HB LEU 26 3HB LEU 26 -4.738 -7.093 0.001 188 HG LEU 26 HG LEU 26 -5.334 -6.357 1.997 189 1HD1 LEU 26 1HD1 LEU 26 -7.339 -6.702 0.537 190 2HD1 LEU 26 2HD1 LEU 26 -7.760 -8.109 1.557 191 3HD1 LEU 26 3HD1 LEU 26 -7.668 -6.504 2.275 192 1HD2 LEU 26 1HD2 LEU 26 -4.556 -8.177 3.381 193 2HD2 LEU 26 2HD2 LEU 26 -6.162 -7.587 3.871 194 3HD2 LEU 26 3HD2 LEU 26 -6.011 -9.133 2.984 195 H GLY 27 H GLY 27 -6.048 -7.469 -2.075 196 1HA GLY 27 2HA GLY 27 -7.656 -7.464 -3.720 197 2HA GLY 27 3HA GLY 27 -8.451 -8.848 -2.970 198 H GLY 28 H GLY 28 -9.185 -7.975 -0.521 199 1HA GLY 28 2HA GLY 28 -11.461 -6.259 -1.121 200 2HA GLY 28 3HA GLY 28 -10.997 -6.906 0.458 201 H VAL 29 H VAL 29 -9.482 -4.651 -1.904 202 HA VAL 29 HA VAL 29 -9.237 -2.517 0.161 203 HB VAL 29 HB VAL 29 -6.821 -2.282 -0.698 204 1HG1 VAL 29 1HG1 VAL 29 -7.255 -2.982 1.571 205 2HG1 VAL 29 2HG1 VAL 29 -7.598 -4.631 1.053 206 3HG1 VAL 29 3HG1 VAL 29 -5.959 -4.021 0.902 207 1HG2 VAL 29 1HG2 VAL 29 -5.635 -4.067 -1.587 208 2HG2 VAL 29 2HG2 VAL 29 -6.891 -5.261 -1.195 209 3HG2 VAL 29 3HG2 VAL 29 -7.131 -4.158 -2.542 210 H LYS 30 H LYS 30 -9.756 -0.510 -0.705 211 HA LYS 30 HA LYS 30 -9.219 -0.132 -3.624 212 1HB LYS 30 2HB LYS 30 -11.349 0.722 -3.158 213 2HB LYS 30 3HB LYS 30 -10.796 1.549 -1.702 214 1HG LYS 30 2HG LYS 30 -11.254 3.044 -3.590 215 2HG LYS 30 3HG LYS 30 -9.649 3.230 -2.934 216 1HD LYS 30 2HD LYS 30 -10.216 1.704 -5.554 217 2HD LYS 30 3HD LYS 30 -9.879 3.445 -5.449 218 1HE LYS 30 2HE LYS 30 -7.766 2.807 -4.192 219 2HE LYS 30 3HE LYS 30 -8.019 1.180 -4.911 220 1HZ LYS 30 1HZ LYS 30 -7.563 3.683 -6.376 221 2HZ LYS 30 2HZ LYS 30 -6.573 2.387 -6.166 222 3HZ LYS 30 3HZ LYS 30 -7.944 2.235 -7.075 223 H TYR 31 H TYR 31 -7.050 -0.375 -3.378 224 HA TYR 31 HA TYR 31 -5.501 1.577 -1.773 225 1HB TYR 31 2HB TYR 31 -3.583 0.339 -2.421 226 2HB TYR 31 3HB TYR 31 -4.779 -0.694 -1.624 227 HD1 TYR 31 HD1 TYR 31 -2.829 -0.143 -4.635 228 HD2 TYR 31 HD2 TYR 31 -6.223 -2.223 -3.053 229 HE1 TYR 31 HE1 TYR 31 -2.998 -1.480 -6.705 230 HE2 TYR 31 HE2 TYR 31 -6.221 -3.757 -5.012 231 HH TYR 31 HH TYR 31 -3.805 -3.417 -7.627 232 H ASP 32 H ASP 32 -5.123 3.502 -2.651 233 HA ASP 32 HA ASP 32 -4.804 3.621 -5.611 234 1HB ASP 32 2HB ASP 32 -6.762 5.018 -4.300 235 2HB ASP 32 3HB ASP 32 -5.420 6.170 -4.221 236 H ILE 33 H ILE 33 -3.376 5.469 -6.269 237 HA ILE 33 HA ILE 33 -0.812 4.691 -4.893 238 HB ILE 33 HB ILE 33 -1.996 4.050 -7.611 239 1HG1 ILE 33 2HG1 ILE 33 -0.605 1.904 -6.135 240 2HG1 ILE 33 3HG1 ILE 33 -1.945 2.543 -5.212 241 1HG2 ILE 33 1HG2 ILE 33 0.900 3.774 -6.779 242 2HG2 ILE 33 2HG2 ILE 33 0.168 2.958 -8.182 243 3HG2 ILE 33 3HG2 ILE 33 0.230 4.721 -8.130 244 1HD1 ILE 33 1HD1 ILE 33 -2.572 0.661 -6.767 245 2HD1 ILE 33 2HD1 ILE 33 -3.574 2.114 -6.943 246 3HD1 ILE 33 3HD1 ILE 33 -2.290 1.734 -8.127 247 H ASP 34 H ASP 34 0.699 6.270 -4.950 248 HA ASP 34 HA ASP 34 0.705 8.133 -7.297 249 1HB ASP 34 2HB ASP 34 -0.078 9.323 -5.263 250 2HB ASP 34 3HB ASP 34 1.444 8.877 -4.464 251 H LEU 35 H LEU 35 2.489 7.633 -8.460 252 HA LEU 35 HA LEU 35 4.775 6.266 -7.280 253 1HB LEU 35 2HB LEU 35 4.116 7.226 -10.086 254 2HB LEU 35 3HB LEU 35 5.716 6.710 -9.565 255 HG LEU 35 HG LEU 35 4.151 4.633 -8.583 256 1HD1 LEU 35 1HD1 LEU 35 2.102 5.519 -9.655 257 2HD1 LEU 35 2HD1 LEU 35 2.913 5.484 -11.238 258 3HD1 LEU 35 3HD1 LEU 35 2.587 3.972 -10.376 259 1HD2 LEU 35 1HD2 LEU 35 5.330 4.755 -11.373 260 2HD2 LEU 35 2HD2 LEU 35 6.245 4.457 -9.876 261 3HD2 LEU 35 3HD2 LEU 35 5.025 3.297 -10.399 262 HA PRO 36 HA PRO 36 7.235 10.202 -8.355 263 1HB PRO 36 2HB PRO 36 5.895 12.652 -8.358 264 2HB PRO 36 3HB PRO 36 6.349 11.705 -9.803 265 1HG PRO 36 2HG PRO 36 3.694 11.730 -8.359 266 2HG PRO 36 3HG PRO 36 3.986 11.831 -10.118 267 1HD PRO 36 2HD PRO 36 3.290 9.506 -9.011 268 2HD PRO 36 3HD PRO 36 4.596 9.524 -10.226 269 H ASN 37 H ASN 37 4.378 10.475 -6.270 270 HA ASN 37 HA ASN 37 6.054 11.629 -4.056 271 1HB ASN 37 2HB ASN 37 3.052 11.204 -4.092 272 2HB ASN 37 3HB ASN 37 4.005 11.968 -2.839 273 1HD2 ASN 37 1HD2 ASN 37 2.210 12.619 -5.682 274 2HD2 ASN 37 2HD2 ASN 37 2.796 14.266 -5.915 275 H LYS 38 H LYS 38 5.492 8.675 -5.303 276 HA LYS 38 HA LYS 38 5.345 6.567 -4.567 277 1HB LYS 38 2HB LYS 38 7.467 6.065 -3.264 278 2HB LYS 38 3HB LYS 38 7.484 6.741 -4.881 279 1HG LYS 38 2HG LYS 38 7.930 9.013 -4.001 280 2HG LYS 38 3HG LYS 38 7.920 8.362 -2.352 281 1HD LYS 38 2HD LYS 38 10.183 8.758 -3.253 282 2HD LYS 38 3HD LYS 38 9.937 7.061 -2.847 283 1HE LYS 38 2HE LYS 38 9.595 6.502 -5.234 284 2HE LYS 38 3HE LYS 38 9.672 8.219 -5.681 285 1HZ LYS 38 1HZ LYS 38 11.714 6.970 -6.097 286 2HZ LYS 38 2HZ LYS 38 12.001 8.157 -4.974 287 3HZ LYS 38 3HZ LYS 38 11.825 6.579 -4.517 288 H LYS 39 H LYS 39 3.280 6.677 -3.663 289 HA LYS 39 HA LYS 39 3.185 6.043 -0.798 290 1HB LYS 39 2HB LYS 39 2.077 8.529 -2.149 291 2HB LYS 39 3HB LYS 39 1.089 7.771 -0.900 292 1HG LYS 39 2HG LYS 39 2.797 7.954 0.738 293 2HG LYS 39 3HG LYS 39 3.970 8.596 -0.438 294 1HD LYS 39 2HD LYS 39 2.615 10.565 -0.828 295 2HD LYS 39 3HD LYS 39 1.315 9.966 0.215 296 1HE LYS 39 2HE LYS 39 4.170 10.476 1.186 297 2HE LYS 39 3HE LYS 39 2.886 11.691 1.293 298 1HZ LYS 39 1HZ LYS 39 1.676 10.340 2.795 299 2HZ LYS 39 2HZ LYS 39 2.476 9.027 2.509 300 3HZ LYS 39 3HZ LYS 39 3.222 10.261 3.337 301 H VAL 40 H VAL 40 1.238 5.058 -0.168 302 HA VAL 40 HA VAL 40 -0.662 4.283 -2.295 303 HB VAL 40 HB VAL 40 0.338 2.519 -0.019 304 1HG1 VAL 40 1HG1 VAL 40 -0.939 0.770 -1.193 305 2HG1 VAL 40 2HG1 VAL 40 -1.996 2.123 -0.749 306 3HG1 VAL 40 3HG1 VAL 40 -1.446 1.947 -2.426 307 1HG2 VAL 40 1HG2 VAL 40 0.942 2.290 -2.984 308 2HG2 VAL 40 2HG2 VAL 40 2.110 2.789 -1.737 309 3HG2 VAL 40 3HG2 VAL 40 1.437 1.156 -1.700 310 H CYS 41 H CYS 41 -2.719 4.809 -1.652 311 HA CYS 41 HA CYS 41 -3.350 5.265 1.263 312 1HB CYS 41 2HB CYS 41 -4.566 6.471 -1.280 313 2HB CYS 41 3HB CYS 41 -5.295 6.570 0.335 314 HG CYS 41 HG CYS 41 -3.155 7.626 1.463 315 H ILE 42 H ILE 42 -4.070 3.312 1.986 316 HA ILE 42 HA ILE 42 -5.942 1.921 0.180 317 HB ILE 42 HB ILE 42 -4.857 0.874 2.779 318 1HG1 ILE 42 2HG1 ILE 42 -3.693 -0.739 0.900 319 2HG1 ILE 42 3HG1 ILE 42 -3.617 0.778 0.051 320 1HG2 ILE 42 1HG2 ILE 42 -6.930 -0.168 2.066 321 2HG2 ILE 42 2HG2 ILE 42 -6.340 -0.301 0.394 322 3HG2 ILE 42 3HG2 ILE 42 -5.630 -1.296 1.668 323 1HD1 ILE 42 1HD1 ILE 42 -2.117 1.677 1.699 324 2HD1 ILE 42 2HD1 ILE 42 -2.650 0.503 2.917 325 3HD1 ILE 42 3HD1 ILE 42 -1.636 -0.039 1.604 326 H GLU 43 H GLU 43 -8.062 2.131 0.410 327 HA GLU 43 HA GLU 43 -9.149 2.684 3.141 328 1HB GLU 43 2HB GLU 43 -10.064 3.631 0.411 329 2HB GLU 43 3HB GLU 43 -11.171 3.551 1.796 330 1HG GLU 43 2HG GLU 43 -9.855 5.034 3.113 331 2HG GLU 43 3HG GLU 43 -8.494 4.975 1.978 332 H SER 44 H SER 44 -10.447 1.197 3.959 333 HA SER 44 HA SER 44 -12.042 -0.588 2.446 334 1HB SER 44 2HB SER 44 -9.782 -1.762 2.250 335 2HB SER 44 3HB SER 44 -9.810 -1.898 4.016 336 HG SER 44 HG SER 44 -10.754 -3.667 2.565 337 H GLU 45 H GLU 45 -12.743 -2.372 4.187 338 HA GLU 45 HA GLU 45 -13.159 -1.066 6.857 339 1HB GLU 45 2HB GLU 45 -15.154 -2.925 5.510 340 2HB GLU 45 3HB GLU 45 -15.289 -2.112 7.071 341 1HG GLU 45 2HG GLU 45 -14.819 0.045 5.448 342 2HG GLU 45 3HG GLU 45 -15.642 -1.018 4.307 343 H HIS 46 H HIS 46 -10.915 -2.160 6.910 344 HA HIS 46 HA HIS 46 -11.286 -4.483 8.592 345 1HB HIS 46 2HB HIS 46 -9.544 -5.861 7.500 346 2HB HIS 46 3HB HIS 46 -10.943 -5.632 6.457 347 HD1 HIS 46 1HD HIS 46 -7.847 -3.246 6.810 348 HD2 HIS 46 2HD HIS 46 -9.992 -5.601 4.032 349 HE1 HIS 46 1HE HIS 46 -7.077 -2.563 4.518 350 H SER 47 H SER 47 -8.785 -5.009 9.354 351 HA SER 47 HA SER 47 -7.929 -2.523 10.549 352 1HB SER 47 2HB SER 47 -7.782 -4.701 11.744 353 2HB SER 47 3HB SER 47 -6.576 -5.260 10.563 354 HG SER 47 HG SER 47 -5.664 -4.377 12.517 355 H MET 48 H MET 48 -5.814 -1.773 10.611 356 HA MET 48 HA MET 48 -4.449 -1.477 8.034 357 1HB MET 48 2HB MET 48 -2.978 0.030 9.191 358 2HB MET 48 3HB MET 48 -4.651 0.444 9.542 359 1HG MET 48 2HG MET 48 -3.954 -1.329 11.619 360 2HG MET 48 3HG MET 48 -2.485 -0.401 11.340 361 1HE MET 48 1HE MET 48 -6.336 0.607 11.099 362 2HE MET 48 2HE MET 48 -6.180 -0.449 12.524 363 3HE MET 48 3HE MET 48 -6.561 1.271 12.730 364 H ASP 49 H ASP 49 -4.328 -3.555 10.865 365 HA ASP 49 HA ASP 49 -1.575 -4.258 10.829 366 1HB ASP 49 2HB ASP 49 -3.013 -4.829 12.700 367 2HB ASP 49 3HB ASP 49 -4.035 -5.855 11.667 368 H THR 50 H THR 50 -4.376 -6.040 9.442 369 HA THR 50 HA THR 50 -3.159 -7.959 7.983 370 HB THR 50 HB THR 50 -5.461 -6.420 6.752 371 HG1 THR 50 1HG THR 50 -6.774 -7.384 8.447 372 1HG2 THR 50 1HG2 THR 50 -5.103 -9.357 7.507 373 2HG2 THR 50 2HG2 THR 50 -6.408 -8.666 6.518 374 3HG2 THR 50 3HG2 THR 50 -4.741 -8.674 5.907 375 H LEU 51 H LEU 51 -3.766 -4.558 6.997 376 HA LEU 51 HA LEU 51 -2.587 -4.826 4.395 377 1HB LEU 51 2HB LEU 51 -2.821 -2.337 6.166 378 2HB LEU 51 3HB LEU 51 -2.254 -2.387 4.501 379 HG LEU 51 HG LEU 51 -5.041 -2.793 5.586 380 1HD1 LEU 51 1HD1 LEU 51 -5.454 -1.068 3.903 381 2HD1 LEU 51 2HD1 LEU 51 -3.977 -0.602 4.757 382 3HD1 LEU 51 3HD1 LEU 51 -3.853 -1.357 3.155 383 1HD2 LEU 51 1HD2 LEU 51 -5.627 -3.477 3.144 384 2HD2 LEU 51 2HD2 LEU 51 -3.929 -3.827 2.907 385 3HD2 LEU 51 3HD2 LEU 51 -4.873 -4.745 4.110 386 H LEU 52 H LEU 52 -1.203 -3.642 7.483 387 HA LEU 52 HA LEU 52 1.329 -2.976 6.633 388 1HB LEU 52 2HB LEU 52 0.021 -3.581 9.101 389 2HB LEU 52 3HB LEU 52 1.443 -4.618 9.024 390 HG LEU 52 HG LEU 52 1.959 -2.759 10.328 391 1HD1 LEU 52 1HD1 LEU 52 3.748 -3.352 8.806 392 2HD1 LEU 52 2HD1 LEU 52 3.183 -2.160 7.610 393 3HD1 LEU 52 3HD1 LEU 52 3.778 -1.621 9.189 394 1HD2 LEU 52 1HD2 LEU 52 0.833 -0.925 8.198 395 2HD2 LEU 52 2HD2 LEU 52 0.102 -1.315 9.755 396 3HD2 LEU 52 3HD2 LEU 52 1.631 -0.427 9.703 397 H ALA 53 H ALA 53 0.255 -6.192 7.777 398 HA ALA 53 HA ALA 53 2.625 -7.616 7.219 399 1HB ALA 53 1HB ALA 53 1.181 -9.627 7.314 400 2HB ALA 53 2HB ALA 53 0.767 -8.482 8.606 401 3HB ALA 53 3HB ALA 53 -0.267 -8.609 7.169 402 H THR 54 H THR 54 -0.261 -7.120 5.086 403 HA THR 54 HA THR 54 0.718 -8.604 2.889 404 HB THR 54 HB THR 54 -1.125 -6.169 2.946 405 HG1 THR 54 1HG THR 54 -1.933 -7.782 4.264 406 1HG2 THR 54 1HG2 THR 54 -2.053 -7.119 0.909 407 2HG2 THR 54 2HG2 THR 54 -0.348 -6.722 0.678 408 3HG2 THR 54 3HG2 THR 54 -0.838 -8.419 0.930 409 H LEU 55 H LEU 55 1.155 -5.092 3.755 410 HA LEU 55 HA LEU 55 2.189 -4.594 1.108 411 1HB LEU 55 2HB LEU 55 1.046 -3.091 3.303 412 2HB LEU 55 3HB LEU 55 2.523 -2.294 2.797 413 HG LEU 55 HG LEU 55 -0.047 -2.720 1.333 414 1HD1 LEU 55 1HD1 LEU 55 0.277 -0.772 2.733 415 2HD1 LEU 55 2HD1 LEU 55 1.839 -0.394 1.977 416 3HD1 LEU 55 3HD1 LEU 55 0.374 -0.232 1.027 417 1HD2 LEU 55 1HD2 LEU 55 1.065 -1.622 -0.635 418 2HD2 LEU 55 2HD2 LEU 55 2.639 -2.082 0.063 419 3HD2 LEU 55 3HD2 LEU 55 1.452 -3.328 -0.432 420 H LYS 56 H LYS 56 3.553 -5.124 4.366 421 HA LYS 56 HA LYS 56 6.278 -4.694 3.819 422 1HB LYS 56 2HB LYS 56 4.631 -6.413 5.605 423 2HB LYS 56 3HB LYS 56 6.175 -7.100 5.190 424 1HG LYS 56 2HG LYS 56 6.335 -5.939 7.191 425 2HG LYS 56 3HG LYS 56 7.384 -5.137 6.027 426 1HD LYS 56 2HD LYS 56 4.571 -4.171 6.712 427 2HD LYS 56 3HD LYS 56 5.909 -3.808 7.782 428 1HE LYS 56 2HE LYS 56 5.671 -2.860 4.889 429 2HE LYS 56 3HE LYS 56 5.340 -1.919 6.333 430 1HZ LYS 56 1HZ LYS 56 7.981 -2.966 5.583 431 2HZ LYS 56 2HZ LYS 56 7.490 -1.397 5.590 432 3HZ LYS 56 3HZ LYS 56 7.641 -2.202 7.006 433 H LYS 57 H LYS 57 4.155 -7.244 2.392 434 HA LYS 57 HA LYS 57 6.373 -8.875 1.568 435 1HB LYS 57 2HB LYS 57 3.664 -8.713 0.221 436 2HB LYS 57 3HB LYS 57 4.833 -10.024 0.138 437 1HG LYS 57 2HG LYS 57 3.218 -9.203 2.583 438 2HG LYS 57 3HG LYS 57 2.987 -10.626 1.576 439 1HD LYS 57 2HD LYS 57 5.263 -11.435 2.274 440 2HD LYS 57 3HD LYS 57 5.397 -10.017 3.345 441 1HE LYS 57 2HE LYS 57 3.306 -10.725 4.527 442 2HE LYS 57 3HE LYS 57 3.227 -12.170 3.508 443 1HZ LYS 57 1HZ LYS 57 5.335 -12.858 4.450 444 2HZ LYS 57 2HZ LYS 57 5.393 -11.507 5.396 445 3HZ LYS 57 3HZ LYS 57 4.213 -12.625 5.629 446 H THR 58 H THR 58 5.258 -5.810 0.332 447 HA THR 58 HA THR 58 6.351 -6.083 -2.374 448 HB THR 58 HB THR 58 6.180 -3.750 -2.506 449 HG1 THR 58 1HG THR 58 5.682 -3.586 0.280 450 1HG2 THR 58 1HG2 THR 58 3.902 -4.701 -0.726 451 2HG2 THR 58 2HG2 THR 58 3.869 -3.314 -1.791 452 3HG2 THR 58 3HG2 THR 58 4.052 -4.953 -2.468 453 H GLY 59 H GLY 59 7.626 -5.501 0.837 454 1HA GLY 59 2HA GLY 59 9.645 -5.173 1.648 455 2HA GLY 59 3HA GLY 59 10.260 -6.202 0.332 456 H LYS 60 H LYS 60 8.664 -3.082 -0.169 457 HA LYS 60 HA LYS 60 11.166 -1.833 -1.179 458 1HB LYS 60 2HB LYS 60 8.419 -0.613 -0.829 459 2HB LYS 60 3HB LYS 60 9.715 -0.010 -1.860 460 1HG LYS 60 2HG LYS 60 7.991 -2.485 -2.269 461 2HG LYS 60 3HG LYS 60 7.935 -0.993 -3.194 462 1HD LYS 60 2HD LYS 60 10.102 -3.125 -3.195 463 2HD LYS 60 3HD LYS 60 9.005 -2.672 -4.498 464 1HE LYS 60 2HE LYS 60 10.095 -0.253 -4.266 465 2HE LYS 60 3HE LYS 60 11.379 -1.089 -3.381 466 1HZ LYS 60 1HZ LYS 60 11.536 -2.507 -5.464 467 2HZ LYS 60 2HZ LYS 60 10.595 -1.334 -6.188 468 3HZ LYS 60 3HZ LYS 60 12.042 -0.939 -5.565 469 H THR 61 H THR 61 11.183 0.671 -0.280 470 HA THR 61 HA THR 61 11.419 0.735 2.543 471 HB THR 61 HB THR 61 11.045 3.109 0.805 472 HG1 THR 61 1HG THR 61 13.043 2.780 -0.119 473 1HG2 THR 61 1HG2 THR 61 11.658 3.436 3.196 474 2HG2 THR 61 2HG2 THR 61 13.112 2.441 2.946 475 3HG2 THR 61 3HG2 THR 61 12.944 3.997 2.110 476 H VAL 62 H VAL 62 8.945 -0.347 2.300 477 HA VAL 62 HA VAL 62 6.857 1.708 2.231 478 HB VAL 62 HB VAL 62 6.240 -0.185 1.070 479 1HG1 VAL 62 1HG1 VAL 62 6.080 -2.449 2.216 480 2HG1 VAL 62 2HG1 VAL 62 7.680 -1.925 1.687 481 3HG1 VAL 62 3HG1 VAL 62 7.234 -1.824 3.402 482 1HG2 VAL 62 1HG2 VAL 62 4.241 -0.893 2.124 483 2HG2 VAL 62 2HG2 VAL 62 4.860 -0.550 3.751 484 3HG2 VAL 62 3HG2 VAL 62 4.513 0.782 2.626 485 H SER 63 H SER 63 6.041 2.733 3.970 486 HA SER 63 HA SER 63 6.082 1.434 6.609 487 1HB SER 63 2HB SER 63 7.601 3.992 5.974 488 2HB SER 63 3HB SER 63 7.112 3.538 7.618 489 HG SER 63 HG SER 63 8.460 1.655 6.010 490 H TYR 64 H TYR 64 4.585 2.243 8.009 491 HA TYR 64 HA TYR 64 2.262 3.258 6.604 492 1HB TYR 64 2HB TYR 64 2.224 1.195 7.956 493 2HB TYR 64 3HB TYR 64 2.691 2.110 9.390 494 HD1 TYR 64 HD1 TYR 64 0.856 1.959 10.893 495 HD2 TYR 64 HD2 TYR 64 0.100 2.768 6.727 496 HE1 TYR 64 HE1 TYR 64 -1.537 2.332 11.390 497 HE2 TYR 64 HE2 TYR 64 -2.209 3.363 7.270 498 HH TYR 64 HH TYR 64 -3.633 2.809 10.502 499 H LEU 65 H LEU 65 1.050 5.049 7.165 500 HA LEU 65 HA LEU 65 2.209 7.044 9.063 501 1HB LEU 65 2HB LEU 65 0.558 7.425 6.564 502 2HB LEU 65 3HB LEU 65 0.848 8.661 7.781 503 HG LEU 65 HG LEU 65 3.410 7.998 7.486 504 1HD1 LEU 65 1HD1 LEU 65 2.146 7.153 4.853 505 2HD1 LEU 65 2HD1 LEU 65 3.871 7.537 5.077 506 3HD1 LEU 65 3HD1 LEU 65 3.158 6.166 5.919 507 1HD2 LEU 65 1HD2 LEU 65 2.469 10.170 7.174 508 2HD2 LEU 65 2HD2 LEU 65 3.581 9.806 5.839 509 3HD2 LEU 65 3HD2 LEU 65 1.817 9.723 5.577 510 H GLY 66 H GLY 66 0.142 8.542 9.679 511 1HA GLY 66 2HA GLY 66 -1.132 7.086 11.710 512 2HA GLY 66 3HA GLY 66 -1.589 8.703 11.150 513 H LEU 67 H LEU 67 -3.374 6.798 12.097 514 HA LEU 67 HA LEU 67 -4.929 5.634 9.904 515 1HB LEU 67 2HB LEU 67 -4.823 4.560 12.121 516 2HB LEU 67 3HB LEU 67 -5.339 6.060 12.898 517 HG LEU 67 HG LEU 67 -7.573 5.867 11.782 518 1HD1 LEU 67 1HD1 LEU 67 -8.168 3.635 10.837 519 2HD1 LEU 67 2HD1 LEU 67 -7.000 4.506 9.835 520 3HD1 LEU 67 3HD1 LEU 67 -6.448 3.179 10.881 521 1HD2 LEU 67 1HD2 LEU 67 -6.662 3.513 13.481 522 2HD2 LEU 67 2HD2 LEU 67 -7.227 5.088 14.069 523 3HD2 LEU 67 3HD2 LEU 67 -8.348 4.012 13.221 524 H GLU 68 H GLU 68 -6.883 6.585 9.085 525 HA GLU 68 HA GLU 68 -7.994 8.938 10.413 526 1HB GLU 68 2HB GLU 68 -7.547 8.703 7.423 527 2HB GLU 68 3HB GLU 68 -8.504 9.951 8.218 528 1HG GLU 68 2HG GLU 68 -6.483 10.887 9.271 529 2HG GLU 68 3HG GLU 68 -5.488 9.590 8.583 Start of MODEL 24 1 1H MET 1 H1 MET 1 -13.585 5.832 3.696 2 2H MET 1 H2 MET 1 -15.219 5.660 3.847 3 3H MET 1 H3 MET 1 -14.369 6.782 4.763 4 HA MET 1 HA MET 1 -14.885 4.892 6.132 5 1HB MET 1 2HB MET 1 -13.539 3.460 3.795 6 2HB MET 1 3HB MET 1 -13.620 2.710 5.373 7 1HG MET 1 2HG MET 1 -15.497 1.929 4.079 8 2HG MET 1 3HG MET 1 -16.077 2.938 5.397 9 1HE MET 1 1HE MET 1 -14.635 3.968 1.788 10 2HE MET 1 2HE MET 1 -15.660 2.534 1.544 11 3HE MET 1 3HE MET 1 -16.179 4.120 0.928 12 HA PRO 2 HA PRO 2 -10.953 5.775 8.098 13 1HB PRO 2 2HB PRO 2 -10.076 3.275 9.008 14 2HB PRO 2 3HB PRO 2 -11.200 4.363 9.882 15 1HG PRO 2 2HG PRO 2 -11.862 2.019 8.081 16 2HG PRO 2 3HG PRO 2 -12.579 2.414 9.673 17 1HD PRO 2 2HD PRO 2 -13.912 3.052 7.462 18 2HD PRO 2 3HD PRO 2 -13.770 4.280 8.736 19 H LYS 3 H LYS 3 -8.929 6.037 7.242 20 HA LYS 3 HA LYS 3 -7.958 4.068 5.241 21 1HB LYS 3 2HB LYS 3 -7.249 6.037 3.835 22 2HB LYS 3 3HB LYS 3 -8.985 5.700 3.891 23 1HG LYS 3 2HG LYS 3 -9.280 7.553 5.501 24 2HG LYS 3 3HG LYS 3 -7.525 7.861 5.426 25 1HD LYS 3 2HD LYS 3 -7.900 8.043 2.839 26 2HD LYS 3 3HD LYS 3 -9.621 8.141 3.214 27 1HE LYS 3 2HE LYS 3 -7.390 10.032 4.127 28 2HE LYS 3 3HE LYS 3 -8.612 10.393 2.910 29 1HZ LYS 3 1HZ LYS 3 -10.273 10.440 4.624 30 2HZ LYS 3 2HZ LYS 3 -9.241 9.847 5.748 31 3HZ LYS 3 3HZ LYS 3 -8.972 11.314 5.169 32 H HIS 4 H HIS 4 -5.721 4.205 4.804 33 HA HIS 4 HA HIS 4 -4.031 5.271 7.014 34 1HB HIS 4 2HB HIS 4 -4.180 2.355 6.034 35 2HB HIS 4 3HB HIS 4 -2.737 3.058 6.711 36 HD1 HIS 4 1HD HIS 4 -5.594 4.527 8.539 37 HD2 HIS 4 2HD HIS 4 -3.052 1.191 8.637 38 HE1 HIS 4 1HE HIS 4 -5.554 3.696 10.964 39 H GLU 5 H GLU 5 -2.524 6.528 6.141 40 HA GLU 5 HA GLU 5 -1.850 6.228 3.277 41 1HB GLU 5 2HB GLU 5 -1.959 8.494 4.206 42 2HB GLU 5 3HB GLU 5 -0.711 8.078 5.391 43 1HG GLU 5 2HG GLU 5 0.906 7.648 3.571 44 2HG GLU 5 3HG GLU 5 -0.367 7.919 2.370 45 H PHE 6 H PHE 6 -0.153 5.081 2.606 46 HA PHE 6 HA PHE 6 1.979 4.321 4.525 47 1HB PHE 6 2HB PHE 6 0.794 2.680 2.279 48 2HB PHE 6 3HB PHE 6 2.423 2.410 2.892 49 HD1 PHE 6 1HD PHE 6 2.757 0.847 4.596 50 HD2 PHE 6 2HD PHE 6 -1.182 2.552 4.095 51 HE1 PHE 6 1HE PHE 6 1.821 -0.823 6.132 52 HE2 PHE 6 2HE PHE 6 -2.086 0.918 5.687 53 HZ PHE 6 HZ PHE 6 -0.618 -0.812 6.677 54 H SER 7 H SER 7 4.007 4.952 3.824 55 HA SER 7 HA SER 7 4.139 6.377 1.179 56 1HB SER 7 2HB SER 7 4.547 7.884 3.015 57 2HB SER 7 3HB SER 7 5.881 6.877 3.602 58 HG SER 7 HG SER 7 6.585 8.584 2.229 59 H VAL 8 H VAL 8 5.387 5.449 -0.318 60 HA VAL 8 HA VAL 8 6.623 2.800 0.328 61 HB VAL 8 HB VAL 8 4.311 3.405 -1.558 62 1HG1 VAL 8 1HG1 VAL 8 4.119 1.088 -2.025 63 2HG1 VAL 8 2HG1 VAL 8 5.834 1.459 -2.258 64 3HG1 VAL 8 3HG1 VAL 8 5.285 0.653 -0.779 65 1HG2 VAL 8 1HG2 VAL 8 3.080 1.765 0.092 66 2HG2 VAL 8 2HG2 VAL 8 4.375 2.184 1.222 67 3HG2 VAL 8 3HG2 VAL 8 3.314 3.447 0.568 68 H ASP 9 H ASP 9 8.367 2.510 -0.894 69 HA ASP 9 HA ASP 9 9.542 4.357 -2.511 70 1HB ASP 9 2HB ASP 9 10.044 1.345 -2.471 71 2HB ASP 9 3HB ASP 9 11.231 2.606 -2.889 72 H MET 10 H MET 10 7.219 4.375 -4.001 73 HA MET 10 HA MET 10 7.465 2.508 -6.221 74 1HB MET 10 2HB MET 10 5.370 4.624 -5.704 75 2HB MET 10 3HB MET 10 5.332 3.370 -6.961 76 1HG MET 10 2HG MET 10 5.541 1.634 -5.124 77 2HG MET 10 3HG MET 10 5.256 2.944 -3.969 78 1HE MET 10 1HE MET 10 1.614 4.018 -4.863 79 2HE MET 10 2HE MET 10 3.112 4.421 -3.992 80 3HE MET 10 3HE MET 10 3.020 4.622 -5.763 81 H THR 11 H THR 11 9.568 3.317 -6.818 82 HA THR 11 HA THR 11 9.686 6.067 -7.859 83 HB THR 11 HB THR 11 11.818 3.952 -7.502 84 HG1 THR 11 1HG THR 11 11.159 4.705 -5.580 85 1HG2 THR 11 1HG2 THR 11 12.621 5.409 -9.246 86 2HG2 THR 11 2HG2 THR 11 12.039 6.859 -8.413 87 3HG2 THR 11 3HG2 THR 11 13.384 5.913 -7.733 88 H CYS 12 HN CYS 12 9.064 2.947 -9.313 89 HA CYS 12 HA CYS 12 8.621 4.392 -11.778 90 1HB CYS 12 2HB CYS 12 9.775 2.621 -13.146 91 2HB CYS 12 3HB CYS 12 10.846 3.735 -12.302 92 H GLY 13 H GLY 13 7.327 3.060 -13.233 93 1HA GLY 13 2HA GLY 13 4.952 2.289 -12.237 94 2HA GLY 13 3HA GLY 13 5.611 1.597 -13.726 95 H GLY 14 H GLY 14 7.568 0.000 -12.994 96 1HA GLY 14 2HA GLY 14 6.587 -2.414 -12.337 97 2HA GLY 14 3HA GLY 14 8.255 -1.919 -11.983 98 H CYS 15 HN CYS 15 7.650 0.028 -9.910 99 HA CYS 15 HA CYS 15 7.467 -1.802 -7.660 100 1HB CYS 15 2HB CYS 15 7.404 1.200 -7.859 101 2HB CYS 15 3HB CYS 15 7.589 0.266 -6.351 102 H ALA 16 H ALA 16 5.281 0.580 -9.224 103 HA ALA 16 HA ALA 16 3.212 0.398 -7.186 104 1HB ALA 16 1HB ALA 16 3.304 2.351 -8.621 105 2HB ALA 16 2HB ALA 16 3.109 1.350 -10.081 106 3HB ALA 16 3HB ALA 16 1.791 1.475 -8.906 107 H GLU 17 H GLU 17 3.823 -1.114 -10.364 108 HA GLU 17 HA GLU 17 1.620 -2.871 -10.470 109 1HB GLU 17 2HB GLU 17 4.488 -3.225 -11.426 110 2HB GLU 17 3HB GLU 17 3.141 -4.244 -11.927 111 1HG GLU 17 2HG GLU 17 2.099 -2.504 -13.140 112 2HG GLU 17 3HG GLU 17 2.995 -1.224 -12.320 113 H ALA 18 H ALA 18 4.886 -3.386 -9.007 114 HA ALA 18 HA ALA 18 4.381 -5.962 -7.993 115 1HB ALA 18 1HB ALA 18 6.196 -3.817 -6.821 116 2HB ALA 18 2HB ALA 18 6.298 -5.556 -6.510 117 3HB ALA 18 3HB ALA 18 6.643 -4.931 -8.139 118 H VAL 19 H VAL 19 3.876 -2.768 -6.359 119 HA VAL 19 HA VAL 19 3.049 -3.849 -3.888 120 HB VAL 19 HB VAL 19 2.462 -1.249 -5.385 121 1HG1 VAL 19 1HG1 VAL 19 1.632 -2.246 -2.668 122 2HG1 VAL 19 2HG1 VAL 19 1.745 -0.489 -3.041 123 3HG1 VAL 19 3HG1 VAL 19 0.614 -1.502 -3.943 124 1HG2 VAL 19 1HG2 VAL 19 4.122 -0.256 -4.075 125 2HG2 VAL 19 2HG2 VAL 19 4.081 -1.525 -2.854 126 3HG2 VAL 19 3HG2 VAL 19 4.855 -1.828 -4.420 127 H SER 20 H SER 20 1.299 -2.878 -6.818 128 HA SER 20 HA SER 20 -1.323 -3.371 -5.910 129 1HB SER 20 2HB SER 20 -0.546 -2.166 -8.018 130 2HB SER 20 3HB SER 20 -0.213 -3.684 -8.774 131 HG SER 20 HG SER 20 -2.777 -3.056 -7.753 132 H ARG 21 H ARG 21 0.843 -5.481 -7.717 133 HA ARG 21 HA ARG 21 -0.538 -7.881 -7.706 134 1HB ARG 21 2HB ARG 21 1.492 -8.553 -8.435 135 2HB ARG 21 3HB ARG 21 2.234 -7.096 -7.828 136 1HG ARG 21 2HG ARG 21 2.537 -8.238 -5.586 137 2HG ARG 21 3HG ARG 21 1.974 -9.734 -6.340 138 1HD ARG 21 2HD ARG 21 3.927 -9.719 -7.789 139 2HD ARG 21 3HD ARG 21 4.366 -8.085 -7.317 140 HE ARG 21 HE ARG 21 4.964 -10.538 -5.920 141 1HH1 ARG 21 2HH2 ARG 21 4.346 -7.077 -5.294 142 2HH1 ARG 21 1HH2 ARG 21 5.428 -7.020 -3.934 143 1HH2 ARG 21 2HH1 ARG 21 6.267 -10.438 -3.989 144 2HH2 ARG 21 1HH1 ARG 21 6.308 -8.983 -3.039 145 H VAL 22 H VAL 22 1.107 -6.458 -4.893 146 HA VAL 22 HA VAL 22 0.650 -8.763 -3.211 147 HB VAL 22 HB VAL 22 2.195 -6.243 -3.248 148 1HG1 VAL 22 1HG1 VAL 22 2.418 -5.942 -0.847 149 2HG1 VAL 22 2HG1 VAL 22 0.879 -5.370 -1.493 150 3HG1 VAL 22 3HG1 VAL 22 0.955 -6.914 -0.589 151 1HG2 VAL 22 1HG2 VAL 22 3.055 -8.519 -3.303 152 2HG2 VAL 22 2HG2 VAL 22 3.713 -7.512 -1.988 153 3HG2 VAL 22 3HG2 VAL 22 2.466 -8.767 -1.657 154 H LEU 23 H LEU 23 -0.605 -5.442 -3.209 155 HA LEU 23 HA LEU 23 -2.504 -5.956 -1.094 156 1HB LEU 23 2HB LEU 23 -1.773 -3.735 -2.922 157 2HB LEU 23 3HB LEU 23 -3.433 -3.714 -2.456 158 HG LEU 23 HG LEU 23 -1.079 -4.013 -0.505 159 1HD1 LEU 23 1HD1 LEU 23 -2.684 -1.552 -1.220 160 2HD1 LEU 23 2HD1 LEU 23 -1.341 -1.601 -0.084 161 3HD1 LEU 23 3HD1 LEU 23 -1.034 -1.840 -1.818 162 1HD2 LEU 23 1HD2 LEU 23 -2.771 -3.232 1.150 163 2HD2 LEU 23 2HD2 LEU 23 -3.973 -3.154 -0.164 164 3HD2 LEU 23 3HD2 LEU 23 -3.347 -4.719 0.377 165 H ASN 24 H ASN 24 -2.550 -6.449 -4.612 166 HA ASN 24 HA ASN 24 -5.396 -6.720 -4.864 167 1HB ASN 24 2HB ASN 24 -4.019 -6.456 -6.928 168 2HB ASN 24 3HB ASN 24 -3.121 -7.917 -6.516 169 1HD2 ASN 24 1HD2 ASN 24 -6.662 -7.217 -6.327 170 2HD2 ASN 24 2HD2 ASN 24 -7.094 -8.612 -7.290 171 H LYS 25 H LYS 25 -2.701 -9.016 -4.266 172 HA LYS 25 HA LYS 25 -4.318 -11.344 -4.238 173 1HB LYS 25 2HB LYS 25 -1.545 -10.596 -3.554 174 2HB LYS 25 3HB LYS 25 -2.205 -11.787 -2.472 175 1HG LYS 25 2HG LYS 25 -1.198 -12.948 -4.352 176 2HG LYS 25 3HG LYS 25 -2.937 -13.152 -4.494 177 1HD LYS 25 2HD LYS 25 -2.251 -10.732 -5.938 178 2HD LYS 25 3HD LYS 25 -0.999 -11.898 -6.297 179 1HE LYS 25 2HE LYS 25 -2.529 -12.231 -8.011 180 2HE LYS 25 3HE LYS 25 -2.938 -13.538 -6.895 181 1HZ LYS 25 1HZ LYS 25 -4.887 -12.407 -7.691 182 2HZ LYS 25 2HZ LYS 25 -4.752 -12.073 -6.091 183 3HZ LYS 25 3HZ LYS 25 -4.350 -10.940 -7.219 184 H LEU 26 H LEU 26 -3.754 -8.942 -1.733 185 HA LEU 26 HA LEU 26 -5.521 -10.168 0.224 186 1HB LEU 26 2HB LEU 26 -3.912 -8.249 0.557 187 2HB LEU 26 3HB LEU 26 -5.032 -7.207 -0.284 188 HG LEU 26 HG LEU 26 -5.438 -6.705 1.862 189 1HD1 LEU 26 1HD1 LEU 26 -7.476 -8.908 1.580 190 2HD1 LEU 26 2HD1 LEU 26 -7.628 -7.342 2.409 191 3HD1 LEU 26 3HD1 LEU 26 -7.510 -7.390 0.648 192 1HD2 LEU 26 1HD2 LEU 26 -5.317 -9.622 2.648 193 2HD2 LEU 26 2HD2 LEU 26 -4.077 -8.364 2.934 194 3HD2 LEU 26 3HD2 LEU 26 -5.674 -8.221 3.690 195 H GLY 27 H GLY 27 -6.084 -7.515 -2.170 196 1HA GLY 27 2HA GLY 27 -7.701 -7.393 -3.802 197 2HA GLY 27 3HA GLY 27 -8.507 -8.827 -3.166 198 H GLY 28 H GLY 28 -9.130 -8.213 -0.619 199 1HA GLY 28 2HA GLY 28 -11.401 -6.422 -0.890 200 2HA GLY 28 3HA GLY 28 -10.825 -7.204 0.590 201 H VAL 29 H VAL 29 -9.577 -4.736 -1.709 202 HA VAL 29 HA VAL 29 -9.186 -2.774 0.481 203 HB VAL 29 HB VAL 29 -6.832 -2.421 -0.269 204 1HG1 VAL 29 1HG1 VAL 29 -7.367 -3.970 1.662 205 2HG1 VAL 29 2HG1 VAL 29 -7.223 -5.326 0.522 206 3HG1 VAL 29 3HG1 VAL 29 -5.824 -4.331 0.832 207 1HG2 VAL 29 1HG2 VAL 29 -7.022 -5.114 -1.684 208 2HG2 VAL 29 2HG2 VAL 29 -7.122 -3.594 -2.570 209 3HG2 VAL 29 3HG2 VAL 29 -5.658 -3.979 -1.629 210 H LYS 30 H LYS 30 -9.000 -0.547 -0.248 211 HA LYS 30 HA LYS 30 -8.844 -0.192 -3.177 212 1HB LYS 30 2HB LYS 30 -11.084 0.437 -2.774 213 2HB LYS 30 3HB LYS 30 -10.658 1.331 -1.315 214 1HG LYS 30 2HG LYS 30 -11.245 2.767 -3.188 215 2HG LYS 30 3HG LYS 30 -9.662 3.116 -2.546 216 1HD LYS 30 2HD LYS 30 -10.074 1.486 -5.130 217 2HD LYS 30 3HD LYS 30 -9.977 3.258 -5.083 218 1HE LYS 30 2HE LYS 30 -7.749 2.915 -3.827 219 2HE LYS 30 3HE LYS 30 -7.842 1.256 -4.508 220 1HZ LYS 30 1HZ LYS 30 -7.642 3.753 -6.037 221 2HZ LYS 30 2HZ LYS 30 -6.543 2.556 -5.810 222 3HZ LYS 30 3HZ LYS 30 -7.904 2.259 -6.695 223 H TYR 31 H TYR 31 -6.721 -0.017 -3.068 224 HA TYR 31 HA TYR 31 -5.453 2.041 -1.363 225 1HB TYR 31 2HB TYR 31 -3.371 0.912 -1.843 226 2HB TYR 31 3HB TYR 31 -4.525 -0.163 -1.063 227 HD1 TYR 31 HD1 TYR 31 -5.871 -1.770 -2.543 228 HD2 TYR 31 HD2 TYR 31 -2.285 0.199 -3.850 229 HE1 TYR 31 HE1 TYR 31 -5.754 -3.307 -4.490 230 HE2 TYR 31 HE2 TYR 31 -2.146 -1.332 -5.775 231 HH TYR 31 HH TYR 31 -4.573 -3.918 -6.342 232 H ASP 32 H ASP 32 -4.934 3.925 -2.383 233 HA ASP 32 HA ASP 32 -4.759 3.806 -5.359 234 1HB ASP 32 2HB ASP 32 -6.704 5.232 -4.099 235 2HB ASP 32 3HB ASP 32 -5.416 6.450 -4.192 236 H ILE 33 H ILE 33 -3.382 5.330 -6.374 237 HA ILE 33 HA ILE 33 -0.814 4.566 -5.008 238 HB ILE 33 HB ILE 33 -2.179 3.781 -7.581 239 1HG1 ILE 33 2HG1 ILE 33 -1.002 1.874 -5.527 240 2HG1 ILE 33 3HG1 ILE 33 -2.553 2.622 -5.187 241 1HG2 ILE 33 1HG2 ILE 33 0.664 3.096 -6.782 242 2HG2 ILE 33 2HG2 ILE 33 -0.262 2.323 -8.088 243 3HG2 ILE 33 3HG2 ILE 33 0.140 4.037 -8.197 244 1HD1 ILE 33 1HD1 ILE 33 -3.383 0.785 -6.245 245 2HD1 ILE 33 2HD1 ILE 33 -3.347 1.908 -7.557 246 3HD1 ILE 33 3HD1 ILE 33 -2.051 0.683 -7.428 247 H ASP 34 H ASP 34 0.316 6.442 -4.920 248 HA ASP 34 HA ASP 34 0.477 8.108 -7.403 249 1HB ASP 34 2HB ASP 34 -0.353 9.209 -5.312 250 2HB ASP 34 3HB ASP 34 1.257 8.946 -4.614 251 H LEU 35 H LEU 35 2.148 7.582 -8.562 252 HA LEU 35 HA LEU 35 4.498 6.175 -7.583 253 1HB LEU 35 2HB LEU 35 3.487 7.198 -10.226 254 2HB LEU 35 3HB LEU 35 5.208 6.880 -10.051 255 HG LEU 35 HG LEU 35 3.260 4.753 -9.146 256 1HD1 LEU 35 1HD1 LEU 35 3.117 3.831 -11.430 257 2HD1 LEU 35 2HD1 LEU 35 2.339 5.420 -11.325 258 3HD1 LEU 35 3HD1 LEU 35 3.948 5.263 -12.069 259 1HD2 LEU 35 1HD2 LEU 35 5.039 3.237 -10.012 260 2HD2 LEU 35 2HD2 LEU 35 5.920 4.631 -10.659 261 3HD2 LEU 35 3HD2 LEU 35 5.738 4.431 -8.914 262 HA PRO 36 HA PRO 36 6.859 10.192 -8.653 263 1HB PRO 36 2HB PRO 36 5.480 12.618 -8.670 264 2HB PRO 36 3HB PRO 36 5.931 11.653 -10.104 265 1HG PRO 36 2HG PRO 36 3.294 11.678 -8.639 266 2HG PRO 36 3HG PRO 36 3.572 11.728 -10.400 267 1HD PRO 36 2HD PRO 36 2.909 9.449 -9.184 268 2HD PRO 36 3HD PRO 36 4.169 9.426 -10.453 269 H ASN 37 H ASN 37 4.077 10.359 -6.438 270 HA ASN 37 HA ASN 37 5.775 11.683 -4.369 271 1HB ASN 37 2HB ASN 37 2.812 11.040 -4.261 272 2HB ASN 37 3HB ASN 37 3.751 11.938 -3.087 273 1HD2 ASN 37 1HD2 ASN 37 2.580 12.040 -6.449 274 2HD2 ASN 37 2HD2 ASN 37 2.676 13.796 -6.601 275 H LYS 38 H LYS 38 5.357 8.524 -5.353 276 HA LYS 38 HA LYS 38 5.738 6.513 -4.348 277 1HB LYS 38 2HB LYS 38 7.446 8.420 -2.664 278 2HB LYS 38 3HB LYS 38 7.538 6.690 -2.504 279 1HG LYS 38 2HG LYS 38 9.207 6.922 -3.983 280 2HG LYS 38 3HG LYS 38 7.872 6.716 -5.132 281 1HD LYS 38 2HD LYS 38 7.670 9.232 -5.213 282 2HD LYS 38 3HD LYS 38 9.124 9.365 -4.238 283 1HE LYS 38 2HE LYS 38 8.831 8.083 -7.011 284 2HE LYS 38 3HE LYS 38 9.523 9.668 -6.659 285 1HZ LYS 38 1HZ LYS 38 11.219 8.473 -5.309 286 2HZ LYS 38 2HZ LYS 38 10.707 7.042 -5.951 287 3HZ LYS 38 3HZ LYS 38 11.296 8.206 -6.924 288 H LYS 39 H LYS 39 3.247 6.719 -3.766 289 HA LYS 39 HA LYS 39 3.004 6.399 -0.839 290 1HB LYS 39 2HB LYS 39 3.019 8.803 -1.142 291 2HB LYS 39 3HB LYS 39 1.841 8.697 -2.456 292 1HG LYS 39 2HG LYS 39 0.089 7.976 -0.960 293 2HG LYS 39 3HG LYS 39 1.220 7.867 0.401 294 1HD LYS 39 2HD LYS 39 0.486 10.425 -1.128 295 2HD LYS 39 3HD LYS 39 -0.202 9.888 0.412 296 1HE LYS 39 2HE LYS 39 2.394 9.756 1.113 297 2HE LYS 39 3HE LYS 39 2.591 10.961 -0.164 298 1HZ LYS 39 1HZ LYS 39 1.609 12.497 1.250 299 2HZ LYS 39 2HZ LYS 39 0.449 11.393 1.757 300 3HZ LYS 39 3HZ LYS 39 1.859 11.301 2.417 301 H VAL 40 H VAL 40 1.309 5.293 -0.201 302 HA VAL 40 HA VAL 40 -0.670 4.318 -2.196 303 HB VAL 40 HB VAL 40 0.655 2.766 0.056 304 1HG1 VAL 40 1HG1 VAL 40 -1.359 1.941 -2.071 305 2HG1 VAL 40 2HG1 VAL 40 -0.603 0.852 -0.885 306 3HG1 VAL 40 3HG1 VAL 40 -1.710 2.122 -0.336 307 1HG2 VAL 40 1HG2 VAL 40 1.626 1.410 -1.718 308 2HG2 VAL 40 2HG2 VAL 40 0.902 2.457 -2.963 309 3HG2 VAL 40 3HG2 VAL 40 2.155 3.088 -1.873 310 H CYS 41 H CYS 41 -2.483 5.399 -1.611 311 HA CYS 41 HA CYS 41 -3.167 5.893 1.267 312 1HB CYS 41 2HB CYS 41 -4.592 6.647 -1.321 313 2HB CYS 41 3HB CYS 41 -5.122 7.070 0.318 314 HG CYS 41 HG CYS 41 -2.313 7.890 -1.175 315 H ILE 42 H ILE 42 -3.569 3.930 2.127 316 HA ILE 42 HA ILE 42 -5.303 2.101 0.720 317 HB ILE 42 HB ILE 42 -3.589 2.176 3.116 318 1HG1 ILE 42 2HG1 ILE 42 -4.393 -0.206 1.511 319 2HG1 ILE 42 3HG1 ILE 42 -3.235 0.947 0.892 320 1HG2 ILE 42 1HG2 ILE 42 -4.561 0.559 4.463 321 2HG2 ILE 42 2HG2 ILE 42 -5.748 1.796 4.300 322 3HG2 ILE 42 3HG2 ILE 42 -5.943 0.316 3.341 323 1HD1 ILE 42 1HD1 ILE 42 -2.753 -0.467 3.543 324 2HD1 ILE 42 2HD1 ILE 42 -2.126 -1.031 1.994 325 3HD1 ILE 42 3HD1 ILE 42 -1.642 0.543 2.604 326 H GLU 43 H GLU 43 -7.393 1.938 0.959 327 HA GLU 43 HA GLU 43 -8.694 2.881 3.443 328 1HB GLU 43 2HB GLU 43 -9.198 4.548 1.610 329 2HB GLU 43 3HB GLU 43 -9.920 3.230 0.676 330 1HG GLU 43 2HG GLU 43 -11.549 2.842 2.533 331 2HG GLU 43 3HG GLU 43 -10.814 4.160 3.457 332 H SER 44 H SER 44 -9.679 1.139 4.342 333 HA SER 44 HA SER 44 -11.297 -0.541 2.752 334 1HB SER 44 2HB SER 44 -9.020 -1.681 2.428 335 2HB SER 44 3HB SER 44 -9.054 -2.054 4.149 336 HG SER 44 HG SER 44 -10.060 -3.664 2.583 337 H GLU 45 H GLU 45 -12.945 -1.319 4.069 338 HA GLU 45 HA GLU 45 -12.807 -0.710 6.957 339 1HB GLU 45 2HB GLU 45 -14.799 -0.247 5.415 340 2HB GLU 45 3HB GLU 45 -15.135 -1.985 5.468 341 1HG GLU 45 2HG GLU 45 -15.507 -1.873 7.863 342 2HG GLU 45 3HG GLU 45 -14.808 -0.244 7.963 343 H HIS 46 H HIS 46 -10.862 -2.163 6.855 344 HA HIS 46 HA HIS 46 -11.447 -5.004 7.456 345 1HB HIS 46 2HB HIS 46 -11.125 -4.955 5.010 346 2HB HIS 46 3HB HIS 46 -9.732 -3.883 5.221 347 HD1 HIS 46 1HD HIS 46 -10.458 -7.586 6.146 348 HD2 HIS 46 2HD HIS 46 -7.572 -4.904 4.693 349 HE1 HIS 46 1HE HIS 46 -8.370 -8.966 5.559 350 H SER 47 H SER 47 -9.391 -6.007 8.291 351 HA SER 47 HA SER 47 -8.042 -4.469 10.248 352 1HB SER 47 2HB SER 47 -8.017 -6.907 10.377 353 2HB SER 47 3HB SER 47 -7.279 -6.918 8.752 354 HG SER 47 HG SER 47 -5.952 -5.863 11.028 355 H MET 48 H MET 48 -6.398 -3.276 10.173 356 HA MET 48 HA MET 48 -5.078 -2.437 7.632 357 1HB MET 48 2HB MET 48 -5.013 -1.300 10.463 358 2HB MET 48 3HB MET 48 -4.054 -0.702 9.102 359 1HG MET 48 2HG MET 48 -7.079 -0.894 9.148 360 2HG MET 48 3HG MET 48 -6.204 0.579 9.497 361 1HE MET 48 1HE MET 48 -7.619 1.954 7.763 362 2HE MET 48 2HE MET 48 -7.913 1.420 6.094 363 3HE MET 48 3HE MET 48 -8.571 0.480 7.453 364 H ASP 49 H ASP 49 -4.565 -4.043 10.706 365 HA ASP 49 HA ASP 49 -1.791 -4.420 10.792 366 1HB ASP 49 2HB ASP 49 -3.618 -6.725 11.488 367 2HB ASP 49 3HB ASP 49 -2.272 -6.041 12.384 368 H THR 50 H THR 50 -4.370 -6.362 9.329 369 HA THR 50 HA THR 50 -2.813 -8.276 7.980 370 HB THR 50 HB THR 50 -5.517 -7.144 7.096 371 HG1 THR 50 1HG THR 50 -5.463 -7.894 9.299 372 1HG2 THR 50 1HG2 THR 50 -5.842 -9.365 6.136 373 2HG2 THR 50 2HG2 THR 50 -4.356 -8.673 5.456 374 3HG2 THR 50 3HG2 THR 50 -4.257 -9.905 6.728 375 H LEU 51 H LEU 51 -3.775 -4.918 6.920 376 HA LEU 51 HA LEU 51 -2.713 -5.336 4.267 377 1HB LEU 51 2HB LEU 51 -3.276 -2.707 5.781 378 2HB LEU 51 3HB LEU 51 -2.678 -2.895 4.145 379 HG LEU 51 HG LEU 51 -5.415 -3.535 5.266 380 1HD1 LEU 51 1HD1 LEU 51 -6.061 -2.265 3.228 381 2HD1 LEU 51 2HD1 LEU 51 -4.835 -1.442 4.216 382 3HD1 LEU 51 3HD1 LEU 51 -4.351 -2.236 2.702 383 1HD2 LEU 51 1HD2 LEU 51 -6.004 -4.701 3.171 384 2HD2 LEU 51 2HD2 LEU 51 -4.294 -4.777 2.721 385 3HD2 LEU 51 3HD2 LEU 51 -4.915 -5.660 4.150 386 H LEU 52 H LEU 52 -1.402 -3.811 7.250 387 HA LEU 52 HA LEU 52 0.991 -2.971 6.265 388 1HB LEU 52 2HB LEU 52 -0.123 -2.854 8.605 389 2HB LEU 52 3HB LEU 52 0.644 -4.412 8.884 390 HG LEU 52 HG LEU 52 2.665 -2.668 7.793 391 1HD1 LEU 52 1HD1 LEU 52 1.080 -1.429 10.087 392 2HD1 LEU 52 2HD1 LEU 52 2.583 -0.796 9.375 393 3HD1 LEU 52 3HD1 LEU 52 1.080 -0.866 8.410 394 1HD2 LEU 52 1HD2 LEU 52 3.711 -3.048 9.992 395 2HD2 LEU 52 2HD2 LEU 52 2.160 -3.672 10.615 396 3HD2 LEU 52 3HD2 LEU 52 3.012 -4.544 9.320 397 H ALA 53 H ALA 53 0.240 -6.157 7.734 398 HA ALA 53 HA ALA 53 2.725 -7.437 7.353 399 1HB ALA 53 1HB ALA 53 1.435 -9.520 7.685 400 2HB ALA 53 2HB ALA 53 0.936 -8.266 8.838 401 3HB ALA 53 3HB ALA 53 -0.084 -8.633 7.431 402 H THR 54 H THR 54 -0.144 -7.251 5.176 403 HA THR 54 HA THR 54 1.170 -8.866 3.180 404 HB THR 54 HB THR 54 -1.375 -7.263 3.308 405 HG1 THR 54 1HG THR 54 -1.643 -9.260 3.980 406 1HG2 THR 54 1HG2 THR 54 -0.262 -8.443 0.736 407 2HG2 THR 54 2HG2 THR 54 -1.925 -7.941 1.031 408 3HG2 THR 54 3HG2 THR 54 -0.655 -6.733 1.074 409 H LEU 55 H LEU 55 1.074 -5.363 3.722 410 HA LEU 55 HA LEU 55 2.022 -4.784 1.076 411 1HB LEU 55 2HB LEU 55 1.102 -3.353 3.393 412 2HB LEU 55 3HB LEU 55 2.639 -2.631 2.836 413 HG LEU 55 HG LEU 55 -0.060 -2.895 1.493 414 1HD1 LEU 55 1HD1 LEU 55 0.294 -1.035 3.071 415 2HD1 LEU 55 2HD1 LEU 55 1.761 -0.542 2.198 416 3HD1 LEU 55 3HD1 LEU 55 0.182 -0.407 1.416 417 1HD2 LEU 55 1HD2 LEU 55 2.591 -2.132 0.223 418 2HD2 LEU 55 2HD2 LEU 55 1.379 -3.318 -0.346 419 3HD2 LEU 55 3HD2 LEU 55 1.011 -1.594 -0.405 420 H LYS 56 H LYS 56 3.538 -5.392 4.270 421 HA LYS 56 HA LYS 56 6.222 -5.010 3.708 422 1HB LYS 56 2HB LYS 56 4.561 -6.736 5.440 423 2HB LYS 56 3HB LYS 56 6.066 -7.496 4.969 424 1HG LYS 56 2HG LYS 56 6.330 -6.462 7.008 425 2HG LYS 56 3HG LYS 56 7.353 -5.591 5.865 426 1HD LYS 56 2HD LYS 56 4.631 -4.658 6.939 427 2HD LYS 56 3HD LYS 56 6.190 -4.259 7.664 428 1HE LYS 56 2HE LYS 56 6.866 -3.236 5.407 429 2HE LYS 56 3HE LYS 56 5.152 -3.373 4.952 430 1HZ LYS 56 1HZ LYS 56 5.699 -1.207 5.817 431 2HZ LYS 56 2HZ LYS 56 4.610 -1.952 6.796 432 3HZ LYS 56 3HZ LYS 56 6.194 -1.842 7.239 433 H LYS 57 H LYS 57 4.141 -7.448 2.108 434 HA LYS 57 HA LYS 57 6.353 -9.029 1.148 435 1HB LYS 57 2HB LYS 57 3.502 -8.848 0.184 436 2HB LYS 57 3HB LYS 57 4.681 -10.057 -0.327 437 1HG LYS 57 2HG LYS 57 4.885 -10.817 2.036 438 2HG LYS 57 3HG LYS 57 3.600 -9.708 2.519 439 1HD LYS 57 2HD LYS 57 3.269 -11.820 0.340 440 2HD LYS 57 3HD LYS 57 2.980 -12.202 2.027 441 1HE LYS 57 2HE LYS 57 1.551 -9.792 0.942 442 2HE LYS 57 3HE LYS 57 1.038 -11.341 0.281 443 1HZ LYS 57 1HZ LYS 57 0.361 -12.084 2.355 444 2HZ LYS 57 2HZ LYS 57 1.182 -10.922 3.176 445 3HZ LYS 57 3HZ LYS 57 -0.161 -10.516 2.344 446 H THR 58 H THR 58 5.471 -5.871 0.252 447 HA THR 58 HA THR 58 6.562 -5.737 -2.471 448 HB THR 58 HB THR 58 7.132 -3.464 -1.796 449 HG1 THR 58 1HG THR 58 5.954 -3.912 0.705 450 1HG2 THR 58 1HG2 THR 58 4.337 -4.423 -1.081 451 2HG2 THR 58 2HG2 THR 58 4.812 -2.721 -1.156 452 3HG2 THR 58 3HG2 THR 58 4.936 -3.754 -2.605 453 H GLY 59 H GLY 59 7.820 -5.737 0.834 454 1HA GLY 59 2HA GLY 59 9.825 -6.101 1.724 455 2HA GLY 59 3HA GLY 59 10.396 -6.879 0.227 456 H LYS 60 H LYS 60 9.111 -3.543 0.678 457 HA LYS 60 HA LYS 60 11.816 -2.384 0.225 458 1HB LYS 60 2HB LYS 60 9.219 -1.148 -0.669 459 2HB LYS 60 3HB LYS 60 10.862 -0.744 -1.123 460 1HG LYS 60 2HG LYS 60 11.068 -2.995 -2.297 461 2HG LYS 60 3HG LYS 60 9.363 -3.259 -1.964 462 1HD LYS 60 2HD LYS 60 9.272 -2.460 -4.113 463 2HD LYS 60 3HD LYS 60 8.930 -1.007 -3.157 464 1HE LYS 60 2HE LYS 60 11.534 -0.577 -3.244 465 2HE LYS 60 3HE LYS 60 11.569 -1.815 -4.501 466 1HZ LYS 60 1HZ LYS 60 11.491 0.393 -5.382 467 2HZ LYS 60 2HZ LYS 60 10.121 -0.334 -5.847 468 3HZ LYS 60 3HZ LYS 60 10.102 0.771 -4.638 469 H THR 61 H THR 61 11.155 0.254 0.701 470 HA THR 61 HA THR 61 11.013 0.199 3.534 471 HB THR 61 HB THR 61 11.148 2.640 1.843 472 HG1 THR 61 1HG THR 61 12.690 1.813 0.798 473 1HG2 THR 61 1HG2 THR 61 11.297 2.917 4.286 474 2HG2 THR 61 2HG2 THR 61 12.700 1.812 4.316 475 3HG2 THR 61 3HG2 THR 61 12.804 3.371 3.462 476 H VAL 62 H VAL 62 8.497 -0.641 2.699 477 HA VAL 62 HA VAL 62 6.794 1.596 2.192 478 HB VAL 62 HB VAL 62 5.125 0.077 1.794 479 1HG1 VAL 62 1HG1 VAL 62 7.616 -1.441 1.004 480 2HG1 VAL 62 2HG1 VAL 62 6.106 -1.253 0.108 481 3HG1 VAL 62 3HG1 VAL 62 7.205 0.129 0.290 482 1HG2 VAL 62 1HG2 VAL 62 6.665 -2.026 3.326 483 2HG2 VAL 62 2HG2 VAL 62 4.989 -1.438 3.599 484 3HG2 VAL 62 3HG2 VAL 62 5.363 -2.394 2.175 485 H SER 63 H SER 63 6.921 2.979 3.791 486 HA SER 63 HA SER 63 6.657 2.252 6.601 487 1HB SER 63 2HB SER 63 6.903 4.691 6.958 488 2HB SER 63 3HB SER 63 8.167 4.036 5.899 489 HG SER 63 HG SER 63 6.757 4.743 4.108 490 H TYR 64 H TYR 64 4.973 2.903 7.979 491 HA TYR 64 HA TYR 64 2.270 3.127 6.736 492 1HB TYR 64 2HB TYR 64 2.505 1.056 7.849 493 2HB TYR 64 3HB TYR 64 3.444 1.758 9.160 494 HD1 TYR 64 HD1 TYR 64 0.011 2.586 7.723 495 HD2 TYR 64 HD2 TYR 64 2.356 1.472 11.185 496 HE1 TYR 64 HE1 TYR 64 -1.764 3.326 9.226 497 HE2 TYR 64 HE2 TYR 64 0.368 1.811 12.619 498 HH TYR 64 HH TYR 64 -2.806 2.591 11.273 499 H LEU 65 H LEU 65 1.227 5.035 7.149 500 HA LEU 65 HA LEU 65 2.322 6.855 9.237 501 1HB LEU 65 2HB LEU 65 1.041 7.506 6.593 502 2HB LEU 65 3HB LEU 65 1.316 8.655 7.900 503 HG LEU 65 HG LEU 65 3.815 7.647 7.811 504 1HD1 LEU 65 1HD1 LEU 65 2.801 7.312 4.969 505 2HD1 LEU 65 2HD1 LEU 65 4.499 7.232 5.513 506 3HD1 LEU 65 3HD1 LEU 65 3.343 6.015 6.060 507 1HD2 LEU 65 1HD2 LEU 65 2.677 9.737 5.928 508 2HD2 LEU 65 2HD2 LEU 65 3.215 9.981 7.606 509 3HD2 LEU 65 3HD2 LEU 65 4.395 9.546 6.354 510 H GLY 66 H GLY 66 0.366 8.496 9.799 511 1HA GLY 66 2HA GLY 66 -1.166 6.966 11.550 512 2HA GLY 66 3HA GLY 66 -1.419 8.678 11.190 513 H LEU 67 H LEU 67 -3.543 7.483 11.927 514 HA LEU 67 HA LEU 67 -5.169 6.284 9.828 515 1HB LEU 67 2HB LEU 67 -5.532 5.694 12.192 516 2HB LEU 67 3HB LEU 67 -5.688 7.399 12.612 517 HG LEU 67 HG LEU 67 -7.811 7.546 11.316 518 1HD1 LEU 67 1HD1 LEU 67 -7.683 4.502 11.174 519 2HD1 LEU 67 2HD1 LEU 67 -8.980 5.563 10.600 520 3HD1 LEU 67 3HD1 LEU 67 -7.421 5.568 9.777 521 1HD2 LEU 67 1HD2 LEU 67 -9.154 6.334 12.970 522 2HD2 LEU 67 2HD2 LEU 67 -7.718 5.427 13.492 523 3HD2 LEU 67 3HD2 LEU 67 -7.801 7.185 13.737 524 H GLU 68 H GLU 68 -6.858 7.350 8.678 525 HA GLU 68 HA GLU 68 -7.589 10.063 9.234 526 1HB GLU 68 2HB GLU 68 -5.492 9.609 7.330 527 2HB GLU 68 3HB GLU 68 -6.942 9.860 6.375 528 1HG GLU 68 2HG GLU 68 -6.054 11.764 8.580 529 2HG GLU 68 3HG GLU 68 -5.521 11.903 6.900 Start of MODEL 25 1 1H MET 1 H1 MET 1 -10.998 -0.024 10.507 2 2H MET 1 H2 MET 1 -11.482 -1.566 10.228 3 3H MET 1 H3 MET 1 -10.579 -0.775 9.109 4 HA MET 1 HA MET 1 -12.929 -1.034 8.602 5 1HB MET 1 2HB MET 1 -13.520 -0.579 11.083 6 2HB MET 1 3HB MET 1 -13.497 1.133 10.634 7 1HG MET 1 2HG MET 1 -15.185 0.590 8.826 8 2HG MET 1 3HG MET 1 -15.225 -1.071 9.446 9 1HE MET 1 1HE MET 1 -17.803 -1.057 9.717 10 2HE MET 1 2HE MET 1 -18.699 0.256 10.516 11 3HE MET 1 3HE MET 1 -17.813 0.573 9.003 12 HA PRO 2 HA PRO 2 -12.404 3.325 7.099 13 1HB PRO 2 2HB PRO 2 -11.030 5.164 8.193 14 2HB PRO 2 3HB PRO 2 -12.346 4.429 9.130 15 1HG PRO 2 2HG PRO 2 -9.376 3.800 9.380 16 2HG PRO 2 3HG PRO 2 -10.537 4.135 10.688 17 1HD PRO 2 2HD PRO 2 -9.850 1.605 9.753 18 2HD PRO 2 3HD PRO 2 -11.411 2.007 10.544 19 H LYS 3 H LYS 3 -9.199 4.680 7.531 20 HA LYS 3 HA LYS 3 -8.199 3.264 5.155 21 1HB LYS 3 2HB LYS 3 -7.965 5.333 3.880 22 2HB LYS 3 3HB LYS 3 -9.665 5.000 4.268 23 1HG LYS 3 2HG LYS 3 -9.656 6.605 6.054 24 2HG LYS 3 3HG LYS 3 -7.942 6.991 5.760 25 1HD LYS 3 2HD LYS 3 -8.677 7.536 3.327 26 2HD LYS 3 3HD LYS 3 -10.337 7.450 3.906 27 1HE LYS 3 2HE LYS 3 -8.137 9.332 4.913 28 2HE LYS 3 3HE LYS 3 -9.481 9.781 3.860 29 1HZ LYS 3 1HZ LYS 3 -9.772 10.362 6.171 30 2HZ LYS 3 2HZ LYS 3 -10.990 9.358 5.664 31 3HZ LYS 3 3HZ LYS 3 -9.796 8.804 6.643 32 H HIS 4 H HIS 4 -6.054 3.759 4.561 33 HA HIS 4 HA HIS 4 -4.308 4.633 6.838 34 1HB HIS 4 2HB HIS 4 -4.183 2.027 5.286 35 2HB HIS 4 3HB HIS 4 -3.072 2.525 6.563 36 HD1 HIS 4 1HD HIS 4 -6.061 3.358 8.252 37 HD2 HIS 4 2HD HIS 4 -4.602 -0.237 6.660 38 HE1 HIS 4 1HE HIS 4 -7.402 1.470 9.337 39 H GLU 5 H GLU 5 -2.720 5.956 6.019 40 HA GLU 5 HA GLU 5 -2.057 5.788 3.125 41 1HB GLU 5 2HB GLU 5 -2.428 8.036 4.020 42 2HB GLU 5 3HB GLU 5 -1.146 7.805 5.211 43 1HG GLU 5 2HG GLU 5 0.506 7.553 3.384 44 2HG GLU 5 3HG GLU 5 -0.791 7.592 2.181 45 H PHE 6 H PHE 6 -0.120 5.015 2.430 46 HA PHE 6 HA PHE 6 2.022 4.428 4.400 47 1HB PHE 6 2HB PHE 6 1.187 2.640 2.087 48 2HB PHE 6 3HB PHE 6 2.672 2.463 3.012 49 HD1 PHE 6 1HD PHE 6 -1.085 2.485 3.444 50 HD2 PHE 6 2HD PHE 6 2.701 0.990 4.917 51 HE1 PHE 6 1HE PHE 6 -2.255 0.870 4.887 52 HE2 PHE 6 2HE PHE 6 1.511 -0.706 6.210 53 HZ PHE 6 HZ PHE 6 -0.972 -0.747 6.264 54 H SER 7 H SER 7 3.866 5.377 3.814 55 HA SER 7 HA SER 7 4.059 6.528 1.083 56 1HB SER 7 2HB SER 7 4.656 8.042 2.860 57 2HB SER 7 3HB SER 7 5.963 6.961 3.390 58 HG SER 7 HG SER 7 5.808 7.765 0.668 59 H VAL 8 H VAL 8 5.154 5.402 -0.378 60 HA VAL 8 HA VAL 8 6.484 2.853 0.432 61 HB VAL 8 HB VAL 8 4.504 3.278 -1.830 62 1HG1 VAL 8 1HG1 VAL 8 4.699 0.853 -2.171 63 2HG1 VAL 8 2HG1 VAL 8 6.293 1.598 -2.331 64 3HG1 VAL 8 3HG1 VAL 8 5.878 0.729 -0.852 65 1HG2 VAL 8 1HG2 VAL 8 3.167 1.544 -0.443 66 2HG2 VAL 8 2HG2 VAL 8 4.300 1.876 0.869 67 3HG2 VAL 8 3HG2 VAL 8 3.259 3.170 0.257 68 H ASP 9 H ASP 9 8.492 2.947 -0.223 69 HA ASP 9 HA ASP 9 9.393 4.709 -2.286 70 1HB ASP 9 2HB ASP 9 10.662 4.083 -0.300 71 2HB ASP 9 3HB ASP 9 10.787 2.416 -0.929 72 H MET 10 H MET 10 7.491 3.491 -3.569 73 HA MET 10 HA MET 10 8.423 1.140 -5.065 74 1HB MET 10 2HB MET 10 6.210 1.357 -6.240 75 2HB MET 10 3HB MET 10 6.133 1.037 -4.516 76 1HG MET 10 2HG MET 10 5.582 3.446 -4.129 77 2HG MET 10 3HG MET 10 5.644 3.722 -5.872 78 1HE MET 10 1HE MET 10 3.301 4.816 -5.832 79 2HE MET 10 2HE MET 10 1.916 4.115 -4.964 80 3HE MET 10 3HE MET 10 3.362 4.624 -4.063 81 H THR 11 H THR 11 10.333 2.446 -5.619 82 HA THR 11 HA THR 11 9.900 4.935 -6.827 83 HB THR 11 HB THR 11 11.786 4.159 -5.332 84 HG1 THR 11 1HG THR 11 12.313 5.668 -7.665 85 1HG2 THR 11 1HG2 THR 11 12.587 2.249 -6.687 86 2HG2 THR 11 2HG2 THR 11 13.146 3.379 -7.939 87 3HG2 THR 11 3HG2 THR 11 13.850 3.437 -6.316 88 H CYS 12 HN CYS 12 9.024 2.517 -8.610 89 HA CYS 12 HA CYS 12 9.308 4.123 -10.901 90 1HB CYS 12 2HB CYS 12 10.278 2.611 -12.468 91 2HB CYS 12 3HB CYS 12 11.421 2.740 -11.138 92 H GLY 13 H GLY 13 7.848 3.193 -12.606 93 1HA GLY 13 2HA GLY 13 5.305 2.598 -11.755 94 2HA GLY 13 3HA GLY 13 5.943 2.130 -13.338 95 H GLY 14 H GLY 14 7.847 0.253 -12.662 96 1HA GLY 14 2HA GLY 14 6.356 -2.076 -12.501 97 2HA GLY 14 3HA GLY 14 8.109 -1.955 -12.208 98 H CYS 15 HN CYS 15 7.879 -0.226 -9.814 99 HA CYS 15 HA CYS 15 7.401 -2.357 -7.873 100 1HB CYS 15 2HB CYS 15 7.936 0.585 -7.524 101 2HB CYS 15 3HB CYS 15 7.775 -0.617 -6.218 102 H ALA 16 H ALA 16 5.589 0.514 -9.087 103 HA ALA 16 HA ALA 16 3.489 0.296 -7.111 104 1HB ALA 16 1HB ALA 16 2.152 1.656 -8.650 105 2HB ALA 16 2HB ALA 16 3.756 2.346 -8.364 106 3HB ALA 16 3HB ALA 16 3.402 1.509 -9.898 107 H GLU 17 H GLU 17 3.958 -1.083 -10.393 108 HA GLU 17 HA GLU 17 1.543 -2.563 -10.535 109 1HB GLU 17 2HB GLU 17 4.307 -3.217 -11.632 110 2HB GLU 17 3HB GLU 17 2.823 -4.052 -12.085 111 1HG GLU 17 2HG GLU 17 1.886 -2.072 -13.075 112 2HG GLU 17 3HG GLU 17 3.159 -1.036 -12.420 113 H ALA 18 H ALA 18 4.747 -3.524 -9.164 114 HA ALA 18 HA ALA 18 3.987 -6.076 -8.230 115 1HB ALA 18 1HB ALA 18 5.931 -4.150 -6.905 116 2HB ALA 18 2HB ALA 18 5.868 -5.905 -6.698 117 3HB ALA 18 3HB ALA 18 6.321 -5.217 -8.276 118 H VAL 19 H VAL 19 3.820 -2.889 -6.487 119 HA VAL 19 HA VAL 19 2.761 -3.834 -4.090 120 HB VAL 19 HB VAL 19 2.427 -1.206 -5.592 121 1HG1 VAL 19 1HG1 VAL 19 1.797 -0.383 -3.267 122 2HG1 VAL 19 2HG1 VAL 19 0.584 -1.349 -4.123 123 3HG1 VAL 19 3HG1 VAL 19 1.591 -2.124 -2.861 124 1HG2 VAL 19 1HG2 VAL 19 4.027 -1.481 -3.061 125 2HG2 VAL 19 2HG2 VAL 19 4.771 -2.059 -4.556 126 3HG2 VAL 19 3HG2 VAL 19 4.220 -0.380 -4.420 127 H SER 20 H SER 20 1.134 -2.771 -7.073 128 HA SER 20 HA SER 20 -1.524 -3.124 -6.209 129 1HB SER 20 2HB SER 20 -0.570 -2.117 -8.430 130 2HB SER 20 3HB SER 20 -0.547 -3.757 -9.052 131 HG SER 20 HG SER 20 -2.483 -2.680 -9.568 132 H ARG 21 H ARG 21 0.596 -5.435 -7.925 133 HA ARG 21 HA ARG 21 -1.132 -7.616 -7.955 134 1HB ARG 21 2HB ARG 21 0.564 -8.512 -8.998 135 2HB ARG 21 3HB ARG 21 1.521 -7.095 -8.682 136 1HG ARG 21 2HG ARG 21 2.467 -8.094 -6.656 137 2HG ARG 21 3HG ARG 21 1.468 -9.529 -6.848 138 1HD ARG 21 2HD ARG 21 2.653 -10.057 -8.981 139 2HD ARG 21 3HD ARG 21 3.449 -8.493 -8.931 140 HE ARG 21 HE ARG 21 5.019 -9.224 -7.493 141 1HH1 ARG 21 2HH2 ARG 21 2.383 -11.545 -7.463 142 2HH1 ARG 21 1HH2 ARG 21 3.229 -12.765 -6.557 143 1HH2 ARG 21 2HH1 ARG 21 6.184 -10.787 -6.253 144 2HH2 ARG 21 1HH1 ARG 21 5.452 -12.300 -5.836 145 H VAL 22 H VAL 22 0.999 -6.550 -5.250 146 HA VAL 22 HA VAL 22 0.568 -8.884 -3.643 147 HB VAL 22 HB VAL 22 1.888 -6.169 -3.539 148 1HG1 VAL 22 1HG1 VAL 22 2.428 -6.544 -1.132 149 2HG1 VAL 22 2HG1 VAL 22 0.843 -5.899 -1.587 150 3HG1 VAL 22 3HG1 VAL 22 1.008 -7.617 -1.076 151 1HG2 VAL 22 1HG2 VAL 22 2.828 -8.909 -2.728 152 2HG2 VAL 22 2HG2 VAL 22 3.061 -8.141 -4.323 153 3HG2 VAL 22 3HG2 VAL 22 3.788 -7.402 -2.882 154 H LEU 23 H LEU 23 -0.649 -5.505 -3.526 155 HA LEU 23 HA LEU 23 -2.301 -5.966 -1.275 156 1HB LEU 23 2HB LEU 23 -1.811 -3.801 -3.177 157 2HB LEU 23 3HB LEU 23 -3.482 -3.841 -2.748 158 HG LEU 23 HG LEU 23 -1.172 -3.957 -0.733 159 1HD1 LEU 23 1HD1 LEU 23 -2.839 -1.622 -1.698 160 2HD1 LEU 23 2HD1 LEU 23 -1.561 -1.535 -0.467 161 3HD1 LEU 23 3HD1 LEU 23 -1.142 -1.880 -2.152 162 1HD2 LEU 23 1HD2 LEU 23 -2.927 -3.298 0.871 163 2HD2 LEU 23 2HD2 LEU 23 -4.096 -3.157 -0.467 164 3HD2 LEU 23 3HD2 LEU 23 -3.499 -4.745 0.030 165 H ASN 24 H ASN 24 -2.970 -6.063 -4.800 166 HA ASN 24 HA ASN 24 -5.693 -6.624 -4.759 167 1HB ASN 24 2HB ASN 24 -4.557 -6.346 -6.886 168 2HB ASN 24 3HB ASN 24 -3.485 -7.718 -6.550 169 1HD2 ASN 24 1HD2 ASN 24 -7.053 -7.365 -6.116 170 2HD2 ASN 24 2HD2 ASN 24 -7.429 -8.780 -7.075 171 H LYS 25 H LYS 25 -2.949 -8.894 -4.170 172 HA LYS 25 HA LYS 25 -4.586 -11.214 -4.132 173 1HB LYS 25 2HB LYS 25 -1.781 -10.535 -3.654 174 2HB LYS 25 3HB LYS 25 -2.360 -11.672 -2.458 175 1HG LYS 25 2HG LYS 25 -1.438 -12.819 -4.433 176 2HG LYS 25 3HG LYS 25 -3.159 -13.172 -4.292 177 1HD LYS 25 2HD LYS 25 -2.751 -10.755 -5.905 178 2HD LYS 25 3HD LYS 25 -1.728 -12.046 -6.521 179 1HE LYS 25 2HE LYS 25 -3.638 -13.518 -6.852 180 2HE LYS 25 3HE LYS 25 -4.727 -12.405 -6.013 181 1HZ LYS 25 1HZ LYS 25 -4.432 -10.811 -7.751 182 2HZ LYS 25 2HZ LYS 25 -3.378 -11.789 -8.552 183 3HZ LYS 25 3HZ LYS 25 -4.952 -12.231 -8.372 184 H LEU 26 H LEU 26 -3.970 -8.895 -1.556 185 HA LEU 26 HA LEU 26 -5.241 -10.356 0.582 186 1HB LEU 26 2HB LEU 26 -3.948 -8.456 1.043 187 2HB LEU 26 3HB LEU 26 -4.856 -7.423 -0.041 188 HG LEU 26 HG LEU 26 -5.230 -6.676 2.038 189 1HD1 LEU 26 1HD1 LEU 26 -7.845 -8.141 1.609 190 2HD1 LEU 26 2HD1 LEU 26 -7.536 -6.536 2.221 191 3HD1 LEU 26 3HD1 LEU 26 -7.272 -6.875 0.491 192 1HD2 LEU 26 1HD2 LEU 26 -6.247 -9.403 2.911 193 2HD2 LEU 26 2HD2 LEU 26 -4.684 -8.678 3.363 194 3HD2 LEU 26 3HD2 LEU 26 -6.200 -7.897 3.872 195 H GLY 27 H GLY 27 -6.491 -8.411 -2.146 196 1HA GLY 27 2HA GLY 27 -8.459 -8.969 -3.270 197 2HA GLY 27 3HA GLY 27 -9.112 -9.750 -1.837 198 H GLY 28 H GLY 28 -9.607 -8.306 0.046 199 1HA GLY 28 2HA GLY 28 -11.619 -6.497 -0.963 200 2HA GLY 28 3HA GLY 28 -11.309 -6.925 0.723 201 H VAL 29 H VAL 29 -9.263 -5.297 -1.735 202 HA VAL 29 HA VAL 29 -9.039 -2.950 0.105 203 HB VAL 29 HB VAL 29 -6.750 -2.620 -0.841 204 1HG1 VAL 29 1HG1 VAL 29 -7.592 -4.713 1.069 205 2HG1 VAL 29 2HG1 VAL 29 -5.917 -4.827 0.511 206 3HG1 VAL 29 3HG1 VAL 29 -6.514 -3.336 1.283 207 1HG2 VAL 29 1HG2 VAL 29 -7.058 -4.214 -2.815 208 2HG2 VAL 29 2HG2 VAL 29 -5.563 -4.372 -1.881 209 3HG2 VAL 29 3HG2 VAL 29 -6.888 -5.545 -1.659 210 H LYS 30 H LYS 30 -8.966 -0.932 -0.748 211 HA LYS 30 HA LYS 30 -8.795 -0.642 -3.666 212 1HB LYS 30 2HB LYS 30 -11.138 0.071 -2.670 213 2HB LYS 30 3HB LYS 30 -10.264 1.493 -2.120 214 1HG LYS 30 2HG LYS 30 -10.683 0.494 -4.958 215 2HG LYS 30 3HG LYS 30 -11.284 1.967 -4.213 216 1HD LYS 30 2HD LYS 30 -9.597 3.033 -5.277 217 2HD LYS 30 3HD LYS 30 -8.574 2.450 -4.003 218 1HE LYS 30 2HE LYS 30 -7.467 1.960 -6.032 219 2HE LYS 30 3HE LYS 30 -8.076 0.392 -5.493 220 1HZ LYS 30 1HZ LYS 30 -9.906 0.684 -7.050 221 2HZ LYS 30 2HZ LYS 30 -9.297 2.140 -7.528 222 3HZ LYS 30 3HZ LYS 30 -8.450 0.763 -7.811 223 H TYR 31 H TYR 31 -6.781 0.039 -3.883 224 HA TYR 31 HA TYR 31 -5.524 1.891 -1.928 225 1HB TYR 31 2HB TYR 31 -3.424 0.801 -2.675 226 2HB TYR 31 3HB TYR 31 -4.530 -0.214 -1.754 227 HD1 TYR 31 HD1 TYR 31 -2.850 0.228 -4.941 228 HD2 TYR 31 HD2 TYR 31 -5.870 -2.018 -2.884 229 HE1 TYR 31 HE1 TYR 31 -2.998 -1.336 -6.865 230 HE2 TYR 31 HE2 TYR 31 -5.917 -3.669 -4.749 231 HH TYR 31 HH TYR 31 -3.767 -3.399 -7.570 232 H ASP 32 H ASP 32 -5.485 3.885 -2.753 233 HA ASP 32 HA ASP 32 -5.193 4.274 -5.677 234 1HB ASP 32 2HB ASP 32 -6.797 5.731 -4.446 235 2HB ASP 32 3HB ASP 32 -5.459 6.335 -3.453 236 H ILE 33 H ILE 33 -3.381 5.677 -6.340 237 HA ILE 33 HA ILE 33 -0.831 4.877 -4.959 238 HB ILE 33 HB ILE 33 -2.016 4.059 -7.614 239 1HG1 ILE 33 2HG1 ILE 33 -0.300 2.251 -5.916 240 2HG1 ILE 33 3HG1 ILE 33 -1.903 2.655 -5.299 241 1HG2 ILE 33 1HG2 ILE 33 0.955 4.140 -7.014 242 2HG2 ILE 33 2HG2 ILE 33 0.221 3.166 -8.300 243 3HG2 ILE 33 3HG2 ILE 33 0.085 4.920 -8.352 244 1HD1 ILE 33 1HD1 ILE 33 -1.627 1.726 -8.169 245 2HD1 ILE 33 2HD1 ILE 33 -1.724 0.588 -6.827 246 3HD1 ILE 33 3HD1 ILE 33 -3.058 1.740 -7.106 247 H ASP 34 H ASP 34 0.474 6.622 -4.903 248 HA ASP 34 HA ASP 34 0.546 8.417 -7.286 249 1HB ASP 34 2HB ASP 34 -0.334 9.591 -5.277 250 2HB ASP 34 3HB ASP 34 1.196 9.244 -4.449 251 H LEU 35 H LEU 35 2.269 7.881 -8.384 252 HA LEU 35 HA LEU 35 4.518 6.416 -7.251 253 1HB LEU 35 2HB LEU 35 3.531 7.201 -9.948 254 2HB LEU 35 3HB LEU 35 5.284 7.105 -9.756 255 HG LEU 35 HG LEU 35 3.463 4.861 -8.793 256 1HD1 LEU 35 1HD1 LEU 35 4.517 5.105 -11.640 257 2HD1 LEU 35 2HD1 LEU 35 3.587 3.756 -10.949 258 3HD1 LEU 35 3HD1 LEU 35 2.821 5.334 -11.151 259 1HD2 LEU 35 1HD2 LEU 35 6.323 4.912 -9.891 260 2HD2 LEU 35 2HD2 LEU 35 5.861 4.754 -8.185 261 3HD2 LEU 35 3HD2 LEU 35 5.479 3.462 -9.340 262 HA PRO 36 HA PRO 36 6.829 10.696 -8.407 263 1HB PRO 36 2HB PRO 36 4.218 12.199 -7.923 264 2HB PRO 36 3HB PRO 36 5.692 12.808 -8.721 265 1HG PRO 36 2HG PRO 36 3.660 11.838 -10.223 266 2HG PRO 36 3HG PRO 36 5.320 11.273 -10.586 267 1HD PRO 36 2HD PRO 36 3.145 9.857 -9.051 268 2HD PRO 36 3HD PRO 36 4.320 9.222 -10.241 269 H ASN 37 H ASN 37 4.027 10.631 -6.180 270 HA ASN 37 HA ASN 37 5.629 11.936 -4.088 271 1HB ASN 37 2HB ASN 37 2.997 12.162 -4.769 272 2HB ASN 37 3HB ASN 37 2.860 11.015 -3.435 273 1HD2 ASN 37 1HD2 ASN 37 4.392 14.050 -4.501 274 2HD2 ASN 37 2HD2 ASN 37 4.330 14.871 -2.958 275 H LYS 38 H LYS 38 5.516 8.775 -5.015 276 HA LYS 38 HA LYS 38 6.065 6.815 -3.980 277 1HB LYS 38 2HB LYS 38 7.269 8.671 -1.894 278 2HB LYS 38 3HB LYS 38 7.789 7.043 -2.272 279 1HG LYS 38 2HG LYS 38 7.945 9.439 -4.198 280 2HG LYS 38 3HG LYS 38 9.239 8.982 -3.116 281 1HD LYS 38 2HD LYS 38 8.098 7.139 -5.250 282 2HD LYS 38 3HD LYS 38 9.478 8.198 -5.526 283 1HE LYS 38 2HE LYS 38 9.793 6.637 -3.048 284 2HE LYS 38 3HE LYS 38 9.537 5.573 -4.444 285 1HZ LYS 38 1HZ LYS 38 11.653 7.621 -4.189 286 2HZ LYS 38 2HZ LYS 38 11.779 6.011 -3.862 287 3HZ LYS 38 3HZ LYS 38 11.529 6.487 -5.406 288 H LYS 39 H LYS 39 3.461 7.176 -3.600 289 HA LYS 39 HA LYS 39 2.953 6.532 -0.754 290 1HB LYS 39 2HB LYS 39 2.065 8.981 -2.290 291 2HB LYS 39 3HB LYS 39 0.918 8.231 -1.186 292 1HG LYS 39 2HG LYS 39 2.577 8.389 0.643 293 2HG LYS 39 3HG LYS 39 3.669 9.299 -0.422 294 1HD LYS 39 2HD LYS 39 1.966 11.062 -0.706 295 2HD LYS 39 3HD LYS 39 0.777 10.059 0.137 296 1HE LYS 39 2HE LYS 39 2.482 10.116 2.133 297 2HE LYS 39 3HE LYS 39 3.152 11.547 1.333 298 1HZ LYS 39 1HZ LYS 39 0.264 11.309 1.764 299 2HZ LYS 39 2HZ LYS 39 1.117 11.457 3.060 300 3HZ LYS 39 3HZ LYS 39 1.194 12.694 1.905 301 H VAL 40 H VAL 40 1.154 5.403 -0.279 302 HA VAL 40 HA VAL 40 -0.708 4.676 -2.443 303 HB VAL 40 HB VAL 40 0.341 2.835 -0.241 304 1HG1 VAL 40 1HG1 VAL 40 -1.380 2.275 -2.692 305 2HG1 VAL 40 2HG1 VAL 40 -0.882 1.093 -1.457 306 3HG1 VAL 40 3HG1 VAL 40 -1.984 2.420 -1.031 307 1HG2 VAL 40 1HG2 VAL 40 1.464 1.578 -2.024 308 2HG2 VAL 40 2HG2 VAL 40 0.995 2.812 -3.214 309 3HG2 VAL 40 3HG2 VAL 40 2.123 3.213 -1.897 310 H CYS 41 H CYS 41 -2.799 5.088 -1.745 311 HA CYS 41 HA CYS 41 -3.312 5.580 1.195 312 1HB CYS 41 2HB CYS 41 -4.471 6.901 -1.278 313 2HB CYS 41 3HB CYS 41 -5.301 6.907 0.286 314 HG CYS 41 HG CYS 41 -2.210 7.910 -0.220 315 H ILE 42 H ILE 42 -4.257 3.810 1.988 316 HA ILE 42 HA ILE 42 -5.902 2.273 0.100 317 HB ILE 42 HB ILE 42 -4.863 1.204 2.731 318 1HG1 ILE 42 2HG1 ILE 42 -3.490 1.111 0.020 319 2HG1 ILE 42 3HG1 ILE 42 -2.917 1.985 1.459 320 1HG2 ILE 42 1HG2 ILE 42 -5.259 -0.971 1.400 321 2HG2 ILE 42 2HG2 ILE 42 -6.708 -0.006 1.678 322 3HG2 ILE 42 3HG2 ILE 42 -5.905 0.014 0.102 323 1HD1 ILE 42 1HD1 ILE 42 -3.032 -1.020 1.239 324 2HD1 ILE 42 2HD1 ILE 42 -1.617 0.016 1.167 325 3HD1 ILE 42 3HD1 ILE 42 -2.510 -0.083 2.662 326 H GLU 43 H GLU 43 -8.022 2.549 0.229 327 HA GLU 43 HA GLU 43 -9.246 3.443 2.813 328 1HB GLU 43 2HB GLU 43 -9.299 5.165 1.031 329 2HB GLU 43 3HB GLU 43 -10.127 4.039 -0.052 330 1HG GLU 43 2HG GLU 43 -12.090 4.009 1.346 331 2HG GLU 43 3HG GLU 43 -11.256 4.839 2.667 332 H SER 44 H SER 44 -9.942 1.514 3.718 333 HA SER 44 HA SER 44 -11.570 -0.324 2.133 334 1HB SER 44 2HB SER 44 -8.767 -1.136 3.048 335 2HB SER 44 3HB SER 44 -9.979 -2.194 2.304 336 HG SER 44 HG SER 44 -9.755 -0.116 0.717 337 H GLU 45 H GLU 45 -12.625 -1.859 3.478 338 HA GLU 45 HA GLU 45 -12.729 -1.083 6.233 339 1HB GLU 45 2HB GLU 45 -14.668 -1.924 4.783 340 2HB GLU 45 3HB GLU 45 -14.071 -3.557 5.126 341 1HG GLU 45 2HG GLU 45 -14.254 -3.056 7.576 342 2HG GLU 45 3HG GLU 45 -14.790 -1.404 7.169 343 H HIS 46 H HIS 46 -10.405 -1.347 6.618 344 HA HIS 46 HA HIS 46 -9.769 -4.115 7.585 345 1HB HIS 46 2HB HIS 46 -8.461 -2.646 5.300 346 2HB HIS 46 3HB HIS 46 -7.420 -3.549 6.391 347 HD1 HIS 46 1HD HIS 46 -7.848 -6.232 6.597 348 HD2 HIS 46 2HD HIS 46 -9.962 -4.153 3.612 349 HE1 HIS 46 1HE HIS 46 -8.778 -7.990 4.999 350 H SER 47 H SER 47 -7.503 -4.099 8.573 351 HA SER 47 HA SER 47 -7.205 -1.723 10.343 352 1HB SER 47 2HB SER 47 -7.932 -3.526 11.720 353 2HB SER 47 3HB SER 47 -6.903 -4.691 10.881 354 HG SER 47 HG SER 47 -5.367 -4.208 12.113 355 H MET 48 H MET 48 -5.067 -1.243 10.874 356 HA MET 48 HA MET 48 -3.423 -1.266 8.504 357 1HB MET 48 2HB MET 48 -1.783 0.001 9.807 358 2HB MET 48 3HB MET 48 -3.379 0.749 9.662 359 1HG MET 48 2HG MET 48 -2.795 -0.920 12.072 360 2HG MET 48 3HG MET 48 -2.067 0.691 11.948 361 1HE MET 48 1HE MET 48 -4.940 1.281 14.534 362 2HE MET 48 2HE MET 48 -3.957 -0.192 14.351 363 3HE MET 48 3HE MET 48 -3.193 1.414 14.216 364 H ASP 49 H ASP 49 -3.554 -3.347 11.318 365 HA ASP 49 HA ASP 49 -0.872 -4.379 11.108 366 1HB ASP 49 2HB ASP 49 -1.614 -6.160 12.469 367 2HB ASP 49 3HB ASP 49 -2.490 -4.743 13.054 368 H THR 50 H THR 50 -4.006 -5.382 9.758 369 HA THR 50 HA THR 50 -3.086 -7.619 8.334 370 HB THR 50 HB THR 50 -5.443 -6.390 7.157 371 HG1 THR 50 1HG THR 50 -5.388 -6.294 10.001 372 1HG2 THR 50 1HG2 THR 50 -5.039 -8.831 7.333 373 2HG2 THR 50 2HG2 THR 50 -5.172 -8.717 9.104 374 3HG2 THR 50 3HG2 THR 50 -6.582 -8.367 8.081 375 H LEU 51 H LEU 51 -3.778 -4.242 7.320 376 HA LEU 51 HA LEU 51 -2.891 -4.628 4.609 377 1HB LEU 51 2HB LEU 51 -2.913 -2.132 6.345 378 2HB LEU 51 3HB LEU 51 -2.430 -2.187 4.653 379 HG LEU 51 HG LEU 51 -5.119 -2.304 5.915 380 1HD1 LEU 51 1HD1 LEU 51 -4.151 -0.422 4.457 381 2HD1 LEU 51 2HD1 LEU 51 -4.112 -1.585 3.133 382 3HD1 LEU 51 3HD1 LEU 51 -5.676 -1.066 3.819 383 1HD2 LEU 51 1HD2 LEU 51 -6.228 -3.428 4.008 384 2HD2 LEU 51 2HD2 LEU 51 -4.659 -3.938 3.376 385 3HD2 LEU 51 3HD2 LEU 51 -5.250 -4.556 4.941 386 H LEU 52 H LEU 52 -1.045 -3.503 7.515 387 HA LEU 52 HA LEU 52 1.391 -3.135 6.228 388 1HB LEU 52 2HB LEU 52 0.629 -3.837 9.019 389 2HB LEU 52 3HB LEU 52 2.178 -4.451 8.501 390 HG LEU 52 HG LEU 52 2.662 -2.001 7.697 391 1HD1 LEU 52 1HD1 LEU 52 0.325 -1.156 8.184 392 2HD1 LEU 52 2HD1 LEU 52 0.580 -1.544 9.897 393 3HD1 LEU 52 3HD1 LEU 52 1.570 -0.307 9.123 394 1HD2 LEU 52 1HD2 LEU 52 2.557 -2.881 10.589 395 2HD2 LEU 52 2HD2 LEU 52 3.862 -3.196 9.419 396 3HD2 LEU 52 3HD2 LEU 52 3.541 -1.534 9.961 397 H ALA 53 H ALA 53 0.169 -6.187 7.726 398 HA ALA 53 HA ALA 53 2.292 -7.852 7.008 399 1HB ALA 53 1HB ALA 53 0.684 -9.708 7.301 400 2HB ALA 53 2HB ALA 53 0.466 -8.476 8.560 401 3HB ALA 53 3HB ALA 53 -0.673 -8.567 7.200 402 H THR 54 H THR 54 -0.514 -6.878 5.003 403 HA THR 54 HA THR 54 0.135 -8.549 2.766 404 HB THR 54 HB THR 54 -1.401 -5.906 2.871 405 HG1 THR 54 1HG THR 54 -2.295 -7.376 4.331 406 1HG2 THR 54 1HG2 THR 54 -2.525 -6.756 0.935 407 2HG2 THR 54 2HG2 THR 54 -0.791 -6.661 0.606 408 3HG2 THR 54 3HG2 THR 54 -1.535 -8.241 0.950 409 H LEU 55 H LEU 55 0.755 -5.072 3.493 410 HA LEU 55 HA LEU 55 1.872 -4.624 0.890 411 1HB LEU 55 2HB LEU 55 1.006 -3.087 3.210 412 2HB LEU 55 3HB LEU 55 2.520 -2.437 2.597 413 HG LEU 55 HG LEU 55 -0.177 -2.577 1.282 414 1HD1 LEU 55 1HD1 LEU 55 1.820 -0.414 2.122 415 2HD1 LEU 55 2HD1 LEU 55 0.472 -0.068 1.073 416 3HD1 LEU 55 3HD1 LEU 55 0.175 -0.689 2.716 417 1HD2 LEU 55 1HD2 LEU 55 1.262 -3.155 -0.561 418 2HD2 LEU 55 2HD2 LEU 55 0.881 -1.440 -0.664 419 3HD2 LEU 55 3HD2 LEU 55 2.480 -1.944 -0.060 420 H LYS 56 H LYS 56 3.260 -5.366 4.055 421 HA LYS 56 HA LYS 56 6.010 -5.019 3.595 422 1HB LYS 56 2HB LYS 56 4.251 -6.768 5.263 423 2HB LYS 56 3HB LYS 56 5.797 -7.459 4.880 424 1HG LYS 56 2HG LYS 56 5.857 -6.380 6.966 425 2HG LYS 56 3HG LYS 56 7.027 -5.651 5.875 426 1HD LYS 56 2HD LYS 56 4.305 -4.408 6.542 427 2HD LYS 56 3HD LYS 56 5.753 -4.184 7.521 428 1HE LYS 56 2HE LYS 56 6.909 -3.344 5.355 429 2HE LYS 56 3HE LYS 56 5.264 -3.186 4.699 430 1HZ LYS 56 1HZ LYS 56 6.270 -1.866 7.135 431 2HZ LYS 56 2HZ LYS 56 6.092 -1.138 5.687 432 3HZ LYS 56 3HZ LYS 56 4.766 -1.680 6.491 433 H LYS 57 H LYS 57 3.813 -7.383 2.030 434 HA LYS 57 HA LYS 57 5.913 -9.170 1.229 435 1HB LYS 57 2HB LYS 57 3.234 -8.665 -0.098 436 2HB LYS 57 3HB LYS 57 4.267 -10.066 -0.352 437 1HG LYS 57 2HG LYS 57 3.003 -9.338 2.329 438 2HG LYS 57 3HG LYS 57 2.303 -10.447 1.153 439 1HD LYS 57 2HD LYS 57 4.276 -11.916 1.310 440 2HD LYS 57 3HD LYS 57 5.026 -10.845 2.499 441 1HE LYS 57 2HE LYS 57 2.324 -12.244 2.861 442 2HE LYS 57 3HE LYS 57 3.862 -12.853 3.487 443 1HZ LYS 57 1HZ LYS 57 2.646 -10.265 4.270 444 2HZ LYS 57 2HZ LYS 57 2.634 -11.646 5.150 445 3HZ LYS 57 3HZ LYS 57 4.053 -10.884 4.834 446 H THR 58 H THR 58 5.116 -5.979 0.081 447 HA THR 58 HA THR 58 6.298 -6.258 -2.586 448 HB THR 58 HB THR 58 6.241 -3.906 -2.649 449 HG1 THR 58 1HG THR 58 5.535 -3.811 0.100 450 1HG2 THR 58 1HG2 THR 58 4.088 -5.035 -2.806 451 2HG2 THR 58 2HG2 THR 58 3.818 -4.834 -1.068 452 3HG2 THR 58 3HG2 THR 58 3.920 -3.411 -2.083 453 H GLY 59 H GLY 59 7.466 -5.875 0.686 454 1HA GLY 59 2HA GLY 59 9.420 -5.527 1.608 455 2HA GLY 59 3HA GLY 59 10.137 -6.477 0.283 456 H LYS 60 H LYS 60 8.483 -3.323 -0.039 457 HA LYS 60 HA LYS 60 11.011 -2.043 -0.954 458 1HB LYS 60 2HB LYS 60 8.252 -0.804 -0.689 459 2HB LYS 60 3HB LYS 60 9.619 -0.180 -1.607 460 1HG LYS 60 2HG LYS 60 7.921 -2.618 -2.205 461 2HG LYS 60 3HG LYS 60 7.938 -1.102 -3.096 462 1HD LYS 60 2HD LYS 60 10.103 -3.245 -2.987 463 2HD LYS 60 3HD LYS 60 9.078 -2.798 -4.350 464 1HE LYS 60 2HE LYS 60 10.119 -0.402 -4.128 465 2HE LYS 60 3HE LYS 60 11.334 -1.150 -3.083 466 1HZ LYS 60 1HZ LYS 60 12.176 -1.078 -5.231 467 2HZ LYS 60 2HZ LYS 60 11.756 -2.663 -5.037 468 3HZ LYS 60 3HZ LYS 60 10.806 -1.622 -5.929 469 H THR 61 H THR 61 11.357 0.274 0.013 470 HA THR 61 HA THR 61 11.088 0.419 2.856 471 HB THR 61 HB THR 61 11.366 2.945 1.441 472 HG1 THR 61 1HG THR 61 12.853 2.406 -0.064 473 1HG2 THR 61 1HG2 THR 61 13.342 1.301 3.054 474 2HG2 THR 61 2HG2 THR 61 13.510 3.013 2.613 475 3HG2 THR 61 3HG2 THR 61 12.208 2.509 3.711 476 H VAL 62 H VAL 62 8.874 -0.323 2.849 477 HA VAL 62 HA VAL 62 6.796 1.730 2.236 478 HB VAL 62 HB VAL 62 6.122 -0.140 1.211 479 1HG1 VAL 62 1HG1 VAL 62 7.446 -1.933 1.835 480 2HG1 VAL 62 2HG1 VAL 62 7.063 -1.763 3.564 481 3HG1 VAL 62 3HG1 VAL 62 5.850 -2.389 2.418 482 1HG2 VAL 62 1HG2 VAL 62 4.645 -0.560 3.819 483 2HG2 VAL 62 2HG2 VAL 62 4.419 0.896 2.839 484 3HG2 VAL 62 3HG2 VAL 62 4.076 -0.702 2.149 485 H SER 63 H SER 63 6.836 3.168 3.726 486 HA SER 63 HA SER 63 6.788 2.528 6.624 487 1HB SER 63 2HB SER 63 6.847 5.136 6.641 488 2HB SER 63 3HB SER 63 8.307 4.263 6.142 489 HG SER 63 HG SER 63 6.458 4.911 4.136 490 H TYR 64 H TYR 64 4.892 2.574 7.721 491 HA TYR 64 HA TYR 64 2.340 3.289 6.437 492 1HB TYR 64 2HB TYR 64 2.331 1.334 7.750 493 2HB TYR 64 3HB TYR 64 3.240 2.079 9.056 494 HD1 TYR 64 HD1 TYR 64 -0.119 2.179 7.370 495 HD2 TYR 64 HD2 TYR 64 2.191 3.120 10.889 496 HE1 TYR 64 HE1 TYR 64 -2.205 2.614 8.638 497 HE2 TYR 64 HE2 TYR 64 0.100 3.574 12.136 498 HH TYR 64 HH TYR 64 -3.127 3.155 10.685 499 H LEU 65 H LEU 65 1.191 5.160 6.869 500 HA LEU 65 HA LEU 65 2.233 7.071 8.883 501 1HB LEU 65 2HB LEU 65 0.825 7.600 6.265 502 2HB LEU 65 3HB LEU 65 0.997 8.782 7.562 503 HG LEU 65 HG LEU 65 3.590 8.021 7.438 504 1HD1 LEU 65 1HD1 LEU 65 3.161 6.390 5.643 505 2HD1 LEU 65 2HD1 LEU 65 2.528 7.688 4.602 506 3HD1 LEU 65 3HD1 LEU 65 4.242 7.687 5.116 507 1HD2 LEU 65 1HD2 LEU 65 3.952 9.982 6.002 508 2HD2 LEU 65 2HD2 LEU 65 2.213 10.002 5.616 509 3HD2 LEU 65 3HD2 LEU 65 2.758 10.285 7.286 510 H GLY 66 H GLY 66 0.165 8.550 9.457 511 1HA GLY 66 2HA GLY 66 -1.147 7.096 11.338 512 2HA GLY 66 3HA GLY 66 -1.707 8.663 10.740 513 H LEU 67 H LEU 67 -3.316 6.728 11.811 514 HA LEU 67 HA LEU 67 -4.943 5.357 9.820 515 1HB LEU 67 2HB LEU 67 -4.546 4.564 12.139 516 2HB LEU 67 3HB LEU 67 -5.209 6.052 12.796 517 HG LEU 67 HG LEU 67 -6.616 4.070 13.023 518 1HD1 LEU 67 1HD1 LEU 67 -8.714 5.061 12.630 519 2HD1 LEU 67 2HD1 LEU 67 -7.604 6.393 12.996 520 3HD1 LEU 67 3HD1 LEU 67 -8.120 6.079 11.323 521 1HD2 LEU 67 1HD2 LEU 67 -6.060 3.018 10.857 522 2HD2 LEU 67 2HD2 LEU 67 -7.806 3.089 11.173 523 3HD2 LEU 67 3HD2 LEU 67 -7.069 4.230 10.026 524 H GLU 68 H GLU 68 -6.855 6.294 8.856 525 HA GLU 68 HA GLU 68 -8.138 8.505 10.155 526 1HB GLU 68 2HB GLU 68 -6.276 9.502 8.531 527 2HB GLU 68 3HB GLU 68 -7.383 8.981 7.261 528 1HG GLU 68 2HG GLU 68 -9.185 10.342 8.618 529 2HG GLU 68 3HG GLU 68 -7.808 11.006 9.497 Start of MODEL 26 1 1H MET 1 H1 MET 1 -13.775 5.064 3.628 2 2H MET 1 H2 MET 1 -15.220 4.281 3.773 3 3H MET 1 H3 MET 1 -14.765 5.498 4.844 4 HA MET 1 HA MET 1 -14.494 3.325 5.864 5 1HB MET 1 2HB MET 1 -12.871 2.960 3.316 6 2HB MET 1 3HB MET 1 -12.438 2.051 4.753 7 1HG MET 1 2HG MET 1 -13.955 0.779 3.287 8 2HG MET 1 3HG MET 1 -14.666 1.064 4.873 9 1HE MET 1 1HE MET 1 -18.080 2.036 3.927 10 2HE MET 1 2HE MET 1 -17.120 0.594 4.323 11 3HE MET 1 3HE MET 1 -16.913 2.087 5.268 12 HA PRO 2 HA PRO 2 -11.067 5.440 7.874 13 1HB PRO 2 2HB PRO 2 -9.558 3.485 9.003 14 2HB PRO 2 3HB PRO 2 -11.154 3.952 9.655 15 1HG PRO 2 2HG PRO 2 -10.536 1.643 7.779 16 2HG PRO 2 3HG PRO 2 -11.491 1.587 9.290 17 1HD PRO 2 2HD PRO 2 -12.714 1.793 6.902 18 2HD PRO 2 3HD PRO 2 -13.303 2.767 8.273 19 H LYS 3 H LYS 3 -8.894 5.974 7.375 20 HA LYS 3 HA LYS 3 -8.020 4.852 4.759 21 1HB LYS 3 2HB LYS 3 -8.887 7.182 4.868 22 2HB LYS 3 3HB LYS 3 -7.515 7.646 5.851 23 1HG LYS 3 2HG LYS 3 -7.085 6.252 3.186 24 2HG LYS 3 3HG LYS 3 -7.623 7.914 3.173 25 1HD LYS 3 2HD LYS 3 -5.145 7.100 4.736 26 2HD LYS 3 3HD LYS 3 -5.090 7.474 3.004 27 1HE LYS 3 2HE LYS 3 -6.055 9.734 3.432 28 2HE LYS 3 3HE LYS 3 -6.120 9.364 5.163 29 1HZ LYS 3 1HZ LYS 3 -4.173 10.507 4.973 30 2HZ LYS 3 2HZ LYS 3 -3.692 9.024 5.029 31 3HZ LYS 3 3HZ LYS 3 -3.663 9.753 3.546 32 H HIS 4 H HIS 4 -5.953 4.149 4.544 33 HA HIS 4 HA HIS 4 -4.102 4.283 6.885 34 1HB HIS 4 2HB HIS 4 -4.523 1.768 5.212 35 2HB HIS 4 3HB HIS 4 -3.540 1.980 6.629 36 HD1 HIS 4 1HD HIS 4 -6.084 3.540 8.226 37 HD2 HIS 4 2HD HIS 4 -5.925 -0.218 6.330 38 HE1 HIS 4 1HE HIS 4 -7.821 2.035 9.378 39 H GLU 5 H GLU 5 -2.695 5.758 5.991 40 HA GLU 5 HA GLU 5 -1.970 5.438 3.139 41 1HB GLU 5 2HB GLU 5 -2.627 7.605 4.085 42 2HB GLU 5 3HB GLU 5 -1.123 7.638 5.027 43 1HG GLU 5 2HG GLU 5 0.212 7.720 3.008 44 2HG GLU 5 3HG GLU 5 -1.155 7.252 1.997 45 H PHE 6 H PHE 6 -0.065 4.749 2.455 46 HA PHE 6 HA PHE 6 2.120 4.251 4.422 47 1HB PHE 6 2HB PHE 6 1.275 2.593 2.021 48 2HB PHE 6 3HB PHE 6 2.751 2.350 2.942 49 HD1 PHE 6 1HD PHE 6 2.748 0.756 4.692 50 HD2 PHE 6 2HD PHE 6 -1.034 2.457 3.469 51 HE1 PHE 6 1HE PHE 6 1.583 -0.998 5.842 52 HE2 PHE 6 2HE PHE 6 -2.195 0.862 4.915 53 HZ PHE 6 HZ PHE 6 -0.936 -0.962 6.028 54 H SER 7 H SER 7 3.893 5.341 3.957 55 HA SER 7 HA SER 7 4.275 6.559 1.262 56 1HB SER 7 2HB SER 7 4.587 8.060 3.143 57 2HB SER 7 3HB SER 7 5.730 6.960 3.914 58 HG SER 7 HG SER 7 7.112 7.295 2.101 59 H VAL 8 H VAL 8 5.919 5.710 -0.062 60 HA VAL 8 HA VAL 8 7.199 3.190 0.880 61 HB VAL 8 HB VAL 8 5.631 3.334 -1.700 62 1HG1 VAL 8 1HG1 VAL 8 6.227 1.006 0.179 63 2HG1 VAL 8 2HG1 VAL 8 5.427 0.893 -1.397 64 3HG1 VAL 8 3HG1 VAL 8 7.121 1.318 -1.308 65 1HG2 VAL 8 1HG2 VAL 8 3.751 2.140 -0.509 66 2HG2 VAL 8 2HG2 VAL 8 4.473 2.628 1.020 67 3HG2 VAL 8 3HG2 VAL 8 3.891 3.855 -0.139 68 H ASP 9 H ASP 9 8.607 2.391 -1.019 69 HA ASP 9 HA ASP 9 9.668 4.603 -2.696 70 1HB ASP 9 2HB ASP 9 11.600 3.453 -1.904 71 2HB ASP 9 3HB ASP 9 10.858 1.865 -2.144 72 H MET 10 H MET 10 9.291 4.337 -4.812 73 HA MET 10 HA MET 10 7.911 2.172 -5.993 74 1HB MET 10 2HB MET 10 6.319 4.764 -5.838 75 2HB MET 10 3HB MET 10 5.935 3.382 -6.867 76 1HG MET 10 2HG MET 10 5.445 1.980 -5.007 77 2HG MET 10 3HG MET 10 6.090 3.144 -3.862 78 1HE MET 10 1HE MET 10 2.137 4.171 -5.851 79 2HE MET 10 2HE MET 10 3.683 4.215 -6.729 80 3HE MET 10 3HE MET 10 2.974 2.648 -6.245 81 H THR 11 H THR 11 10.271 2.754 -6.553 82 HA THR 11 HA THR 11 10.795 5.187 -7.833 83 HB THR 11 HB THR 11 12.523 3.948 -6.667 84 HG1 THR 11 1HG THR 11 12.775 4.796 -9.270 85 1HG2 THR 11 1HG2 THR 11 12.345 1.880 -8.910 86 2HG2 THR 11 2HG2 THR 11 13.600 1.969 -7.656 87 3HG2 THR 11 3HG2 THR 11 11.929 1.632 -7.198 88 H CYS 12 HN CYS 12 9.418 2.305 -9.264 89 HA CYS 12 HA CYS 12 9.357 3.717 -11.821 90 1HB CYS 12 2HB CYS 12 10.013 1.804 -13.124 91 2HB CYS 12 3HB CYS 12 11.305 2.130 -11.971 92 H GLY 13 H GLY 13 7.624 2.777 -13.150 93 1HA GLY 13 2HA GLY 13 5.133 2.393 -12.016 94 2HA GLY 13 3HA GLY 13 5.631 1.715 -13.573 95 H GLY 14 H GLY 14 7.568 -0.069 -12.843 96 1HA GLY 14 2HA GLY 14 6.267 -2.396 -12.325 97 2HA GLY 14 3HA GLY 14 7.999 -2.124 -12.022 98 H CYS 15 HN CYS 15 7.700 -0.208 -9.834 99 HA CYS 15 HA CYS 15 7.341 -2.099 -7.654 100 1HB CYS 15 2HB CYS 15 7.592 0.909 -7.735 101 2HB CYS 15 3HB CYS 15 7.509 -0.056 -6.244 102 H ALA 16 H ALA 16 5.362 0.522 -9.098 103 HA ALA 16 HA ALA 16 3.267 0.418 -7.112 104 1HB ALA 16 1HB ALA 16 3.586 2.367 -8.573 105 2HB ALA 16 2HB ALA 16 3.182 1.395 -10.003 106 3HB ALA 16 3HB ALA 16 1.963 1.681 -8.759 107 H GLU 17 H GLU 17 3.735 -1.069 -10.332 108 HA GLU 17 HA GLU 17 1.346 -2.560 -10.492 109 1HB GLU 17 2HB GLU 17 4.150 -3.164 -11.513 110 2HB GLU 17 3HB GLU 17 2.702 -4.022 -12.035 111 1HG GLU 17 2HG GLU 17 1.813 -2.130 -13.142 112 2HG GLU 17 3HG GLU 17 2.855 -0.989 -12.291 113 H ALA 18 H ALA 18 4.555 -3.531 -9.150 114 HA ALA 18 HA ALA 18 3.817 -6.105 -8.264 115 1HB ALA 18 1HB ALA 18 5.834 -4.172 -7.037 116 2HB ALA 18 2HB ALA 18 5.756 -5.920 -6.750 117 3HB ALA 18 3HB ALA 18 6.154 -5.306 -8.370 118 H VAL 19 H VAL 19 3.795 -2.973 -6.405 119 HA VAL 19 HA VAL 19 2.797 -3.957 -3.999 120 HB VAL 19 HB VAL 19 2.508 -1.315 -5.492 121 1HG1 VAL 19 1HG1 VAL 19 0.567 -1.355 -4.162 122 2HG1 VAL 19 2HG1 VAL 19 1.420 -2.204 -2.836 123 3HG1 VAL 19 3HG1 VAL 19 1.763 -0.480 -3.200 124 1HG2 VAL 19 1HG2 VAL 19 4.774 -2.111 -4.411 125 2HG2 VAL 19 2HG2 VAL 19 4.173 -0.473 -4.095 126 3HG2 VAL 19 3HG2 VAL 19 3.962 -1.730 -2.877 127 H SER 20 H SER 20 1.066 -2.753 -6.890 128 HA SER 20 HA SER 20 -1.531 -3.022 -5.900 129 1HB SER 20 2HB SER 20 -0.701 -1.926 -8.068 130 2HB SER 20 3HB SER 20 -0.679 -3.511 -8.812 131 HG SER 20 HG SER 20 -3.022 -2.600 -7.521 132 H ARG 21 H ARG 21 0.341 -5.332 -7.849 133 HA ARG 21 HA ARG 21 -1.417 -7.507 -7.793 134 1HB ARG 21 2HB ARG 21 0.215 -8.362 -8.974 135 2HB ARG 21 3HB ARG 21 1.246 -7.014 -8.591 136 1HG ARG 21 2HG ARG 21 2.206 -8.197 -6.670 137 2HG ARG 21 3HG ARG 21 1.143 -9.581 -6.953 138 1HD ARG 21 2HD ARG 21 2.152 -9.934 -9.162 139 2HD ARG 21 3HD ARG 21 3.089 -8.428 -8.999 140 HE ARG 21 HE ARG 21 3.692 -10.147 -6.811 141 1HH1 ARG 21 2HH2 ARG 21 4.236 -9.854 -10.279 142 2HH1 ARG 21 1HH2 ARG 21 5.779 -10.648 -10.285 143 1HH2 ARG 21 2HH1 ARG 21 5.755 -11.221 -6.764 144 2HH2 ARG 21 1HH1 ARG 21 6.652 -11.457 -8.227 145 H VAL 22 H VAL 22 0.909 -6.506 -5.290 146 HA VAL 22 HA VAL 22 0.592 -8.768 -3.578 147 HB VAL 22 HB VAL 22 2.075 -6.286 -3.697 148 1HG1 VAL 22 1HG1 VAL 22 0.959 -6.803 -0.944 149 2HG1 VAL 22 2HG1 VAL 22 2.272 -5.704 -1.354 150 3HG1 VAL 22 3HG1 VAL 22 0.662 -5.343 -1.936 151 1HG2 VAL 22 1HG2 VAL 22 2.415 -8.667 -1.893 152 2HG2 VAL 22 2HG2 VAL 22 3.036 -8.494 -3.560 153 3HG2 VAL 22 3HG2 VAL 22 3.614 -7.404 -2.279 154 H LEU 23 H LEU 23 -0.905 -5.564 -3.638 155 HA LEU 23 HA LEU 23 -2.679 -6.068 -1.391 156 1HB LEU 23 2HB LEU 23 -2.230 -3.900 -3.415 157 2HB LEU 23 3HB LEU 23 -3.785 -3.910 -2.666 158 HG LEU 23 HG LEU 23 -1.147 -4.003 -1.116 159 1HD1 LEU 23 1HD1 LEU 23 -2.938 -1.634 -1.768 160 2HD1 LEU 23 2HD1 LEU 23 -1.465 -1.599 -0.766 161 3HD1 LEU 23 3HD1 LEU 23 -1.341 -1.924 -2.507 162 1HD2 LEU 23 1HD2 LEU 23 -3.196 -4.728 0.165 163 2HD2 LEU 23 2HD2 LEU 23 -2.607 -3.147 0.712 164 3HD2 LEU 23 3HD2 LEU 23 -4.000 -3.252 -0.394 165 H ASN 24 H ASN 24 -2.943 -6.561 -4.886 166 HA ASN 24 HA ASN 24 -5.762 -7.022 -4.898 167 1HB ASN 24 2HB ASN 24 -4.472 -6.592 -6.945 168 2HB ASN 24 3HB ASN 24 -3.603 -8.119 -6.739 169 1HD2 ASN 24 1HD2 ASN 24 -6.870 -8.626 -5.731 170 2HD2 ASN 24 2HD2 ASN 24 -7.409 -9.253 -7.271 171 H LYS 25 H LYS 25 -2.915 -9.159 -4.379 172 HA LYS 25 HA LYS 25 -4.293 -11.561 -4.080 173 1HB LYS 25 2HB LYS 25 -1.749 -11.020 -3.912 174 2HB LYS 25 3HB LYS 25 -2.032 -10.862 -2.178 175 1HG LYS 25 2HG LYS 25 -2.996 -13.130 -2.089 176 2HG LYS 25 3HG LYS 25 -2.812 -13.286 -3.852 177 1HD LYS 25 2HD LYS 25 -0.355 -13.149 -3.644 178 2HD LYS 25 3HD LYS 25 -0.499 -12.841 -1.911 179 1HE LYS 25 2HE LYS 25 0.130 -15.182 -2.318 180 2HE LYS 25 3HE LYS 25 -1.436 -15.067 -1.507 181 1HZ LYS 25 1HZ LYS 25 -2.502 -15.478 -3.609 182 2HZ LYS 25 2HZ LYS 25 -1.057 -15.534 -4.397 183 3HZ LYS 25 3HZ LYS 25 -1.438 -16.681 -3.282 184 H LEU 26 H LEU 26 -3.798 -9.052 -1.630 185 HA LEU 26 HA LEU 26 -5.369 -10.239 0.491 186 1HB LEU 26 2HB LEU 26 -3.805 -8.357 0.747 187 2HB LEU 26 3HB LEU 26 -4.875 -7.316 -0.176 188 HG LEU 26 HG LEU 26 -5.249 -6.587 1.888 189 1HD1 LEU 26 1HD1 LEU 26 -7.320 -8.786 2.071 190 2HD1 LEU 26 2HD1 LEU 26 -7.396 -7.099 2.628 191 3HD1 LEU 26 3HD1 LEU 26 -7.442 -7.452 0.905 192 1HD2 LEU 26 1HD2 LEU 26 -5.049 -9.392 3.007 193 2HD2 LEU 26 2HD2 LEU 26 -3.899 -8.040 3.186 194 3HD2 LEU 26 3HD2 LEU 26 -5.494 -7.937 3.934 195 H GLY 27 H GLY 27 -6.219 -7.877 -2.099 196 1HA GLY 27 2HA GLY 27 -8.007 -7.961 -3.535 197 2HA GLY 27 3HA GLY 27 -8.656 -9.356 -2.671 198 H GLY 28 H GLY 28 -9.130 -8.449 -0.162 199 1HA GLY 28 2HA GLY 28 -11.512 -6.814 -0.477 200 2HA GLY 28 3HA GLY 28 -10.804 -7.393 1.038 201 H VAL 29 H VAL 29 -9.683 -5.166 -1.580 202 HA VAL 29 HA VAL 29 -9.306 -2.999 0.416 203 HB VAL 29 HB VAL 29 -7.023 -2.586 -0.426 204 1HG1 VAL 29 1HG1 VAL 29 -5.878 -4.427 0.719 205 2HG1 VAL 29 2HG1 VAL 29 -7.361 -4.022 1.626 206 3HG1 VAL 29 3HG1 VAL 29 -7.300 -5.433 0.555 207 1HG2 VAL 29 1HG2 VAL 29 -7.218 -5.327 -1.742 208 2HG2 VAL 29 2HG2 VAL 29 -7.302 -3.804 -2.649 209 3HG2 VAL 29 3HG2 VAL 29 -5.831 -4.209 -1.746 210 H LYS 30 H LYS 30 -9.069 -0.889 -0.496 211 HA LYS 30 HA LYS 30 -8.897 -0.698 -3.355 212 1HB LYS 30 2HB LYS 30 -11.354 -0.378 -2.925 213 2HB LYS 30 3HB LYS 30 -10.972 0.890 -1.772 214 1HG LYS 30 2HG LYS 30 -11.711 1.787 -3.941 215 2HG LYS 30 3HG LYS 30 -10.123 2.347 -3.473 216 1HD LYS 30 2HD LYS 30 -10.382 1.823 -5.910 217 2HD LYS 30 3HD LYS 30 -9.009 1.072 -5.144 218 1HE LYS 30 2HE LYS 30 -10.111 -0.429 -6.731 219 2HE LYS 30 3HE LYS 30 -10.081 -1.118 -5.117 220 1HZ LYS 30 1HZ LYS 30 -12.412 0.204 -6.335 221 2HZ LYS 30 2HZ LYS 30 -12.209 -1.415 -6.111 222 3HZ LYS 30 3HZ LYS 30 -12.352 -0.423 -4.811 223 H TYR 31 H TYR 31 -7.518 1.051 -3.870 224 HA TYR 31 HA TYR 31 -6.526 2.698 -1.743 225 1HB TYR 31 2HB TYR 31 -4.214 1.713 -1.958 226 2HB TYR 31 3HB TYR 31 -5.385 0.611 -1.226 227 HD1 TYR 31 HD1 TYR 31 -2.970 0.953 -3.866 228 HD2 TYR 31 HD2 TYR 31 -6.412 -1.276 -2.545 229 HE1 TYR 31 HE1 TYR 31 -2.392 -0.891 -5.413 230 HE2 TYR 31 HE2 TYR 31 -6.000 -2.957 -4.315 231 HH TYR 31 HH TYR 31 -4.504 -3.722 -5.907 232 H ASP 32 H ASP 32 -5.220 4.372 -2.570 233 HA ASP 32 HA ASP 32 -5.155 4.568 -5.554 234 1HB ASP 32 2HB ASP 32 -6.439 6.394 -4.466 235 2HB ASP 32 3HB ASP 32 -4.995 6.841 -3.540 236 H ILE 33 H ILE 33 -3.177 5.486 -6.410 237 HA ILE 33 HA ILE 33 -0.769 4.335 -5.050 238 HB ILE 33 HB ILE 33 -2.045 3.831 -7.766 239 1HG1 ILE 33 2HG1 ILE 33 -1.315 1.862 -5.559 240 2HG1 ILE 33 3HG1 ILE 33 -2.947 2.545 -5.750 241 1HG2 ILE 33 1HG2 ILE 33 0.575 2.716 -6.719 242 2HG2 ILE 33 2HG2 ILE 33 -0.199 2.358 -8.284 243 3HG2 ILE 33 3HG2 ILE 33 0.425 3.975 -7.970 244 1HD1 ILE 33 1HD1 ILE 33 -2.877 1.734 -8.209 245 2HD1 ILE 33 2HD1 ILE 33 -1.626 0.609 -7.627 246 3HD1 ILE 33 3HD1 ILE 33 -3.267 0.603 -6.935 247 H ASP 34 H ASP 34 0.336 6.274 -4.813 248 HA ASP 34 HA ASP 34 0.483 8.126 -7.169 249 1HB ASP 34 2HB ASP 34 -0.136 9.097 -4.971 250 2HB ASP 34 3HB ASP 34 1.439 8.564 -4.344 251 H LEU 35 H LEU 35 2.115 7.635 -8.490 252 HA LEU 35 HA LEU 35 4.508 6.188 -7.638 253 1HB LEU 35 2HB LEU 35 3.400 7.223 -10.220 254 2HB LEU 35 3HB LEU 35 5.148 7.047 -10.083 255 HG LEU 35 HG LEU 35 3.306 4.774 -9.256 256 1HD1 LEU 35 1HD1 LEU 35 4.269 5.254 -12.104 257 2HD1 LEU 35 2HD1 LEU 35 3.398 3.826 -11.506 258 3HD1 LEU 35 3HD1 LEU 35 2.590 5.400 -11.535 259 1HD2 LEU 35 1HD2 LEU 35 6.109 4.774 -10.498 260 2HD2 LEU 35 2HD2 LEU 35 5.773 4.626 -8.768 261 3HD2 LEU 35 3HD2 LEU 35 5.247 3.357 -9.886 262 HA PRO 36 HA PRO 36 6.809 10.230 -8.662 263 1HB PRO 36 2HB PRO 36 5.456 12.667 -8.443 264 2HB PRO 36 3HB PRO 36 5.795 11.780 -9.956 265 1HG PRO 36 2HG PRO 36 3.277 11.710 -8.284 266 2HG PRO 36 3HG PRO 36 3.412 11.886 -10.058 267 1HD PRO 36 2HD PRO 36 2.839 9.522 -8.983 268 2HD PRO 36 3HD PRO 36 4.035 9.586 -10.307 269 H ASN 37 H ASN 37 4.232 10.345 -6.219 270 HA ASN 37 HA ASN 37 6.130 11.531 -4.222 271 1HB ASN 37 2HB ASN 37 3.194 10.823 -3.917 272 2HB ASN 37 3HB ASN 37 4.240 11.438 -2.657 273 1HD2 ASN 37 1HD2 ASN 37 2.129 12.444 -5.160 274 2HD2 ASN 37 2HD2 ASN 37 2.619 14.137 -5.160 275 H LYS 38 H LYS 38 5.070 8.427 -5.329 276 HA LYS 38 HA LYS 38 5.276 6.357 -4.685 277 1HB LYS 38 2HB LYS 38 7.391 7.214 -2.756 278 2HB LYS 38 3HB LYS 38 7.114 5.641 -3.454 279 1HG LYS 38 2HG LYS 38 9.009 6.373 -4.585 280 2HG LYS 38 3HG LYS 38 7.677 6.553 -5.719 281 1HD LYS 38 2HD LYS 38 9.106 8.360 -6.038 282 2HD LYS 38 3HD LYS 38 7.701 9.020 -5.276 283 1HE LYS 38 2HE LYS 38 10.454 8.512 -4.055 284 2HE LYS 38 3HE LYS 38 9.676 10.068 -4.383 285 1HZ LYS 38 1HZ LYS 38 7.981 9.367 -2.687 286 2HZ LYS 38 2HZ LYS 38 8.981 8.135 -2.290 287 3HZ LYS 38 3HZ LYS 38 9.488 9.685 -2.099 288 H LYS 39 H LYS 39 3.021 6.602 -3.753 289 HA LYS 39 HA LYS 39 3.064 6.031 -0.877 290 1HB LYS 39 2HB LYS 39 1.463 8.280 -2.218 291 2HB LYS 39 3HB LYS 39 1.002 7.511 -0.721 292 1HG LYS 39 2HG LYS 39 3.186 8.228 0.287 293 2HG LYS 39 3HG LYS 39 3.516 9.160 -1.189 294 1HD LYS 39 2HD LYS 39 1.414 10.432 -0.863 295 2HD LYS 39 3HD LYS 39 0.977 9.393 0.503 296 1HE LYS 39 2HE LYS 39 3.038 10.196 1.719 297 2HE LYS 39 3HE LYS 39 3.269 11.396 0.430 298 1HZ LYS 39 1HZ LYS 39 2.018 12.263 2.332 299 2HZ LYS 39 2HZ LYS 39 1.050 12.242 0.993 300 3HZ LYS 39 3HZ LYS 39 0.879 11.097 2.144 301 H VAL 40 H VAL 40 1.230 4.933 -0.212 302 HA VAL 40 HA VAL 40 -0.700 4.046 -2.284 303 HB VAL 40 HB VAL 40 0.451 2.366 -0.023 304 1HG1 VAL 40 1HG1 VAL 40 -1.465 1.761 -2.308 305 2HG1 VAL 40 2HG1 VAL 40 -0.801 0.556 -1.185 306 3HG1 VAL 40 3HG1 VAL 40 -1.870 1.838 -0.581 307 1HG2 VAL 40 1HG2 VAL 40 0.910 2.060 -3.011 308 2HG2 VAL 40 2HG2 VAL 40 2.104 2.741 -1.887 309 3HG2 VAL 40 3HG2 VAL 40 1.577 1.075 -1.675 310 H CYS 41 H CYS 41 -2.546 5.072 -1.686 311 HA CYS 41 HA CYS 41 -3.142 5.611 1.222 312 1HB CYS 41 2HB CYS 41 -4.332 6.709 -1.357 313 2HB CYS 41 3HB CYS 41 -4.909 7.110 0.263 314 HG CYS 41 HG CYS 41 -2.881 8.427 1.092 315 H ILE 42 H ILE 42 -3.784 3.579 1.923 316 HA ILE 42 HA ILE 42 -5.741 2.196 0.299 317 HB ILE 42 HB ILE 42 -4.369 1.650 2.939 318 1HG1 ILE 42 2HG1 ILE 42 -4.439 -0.476 0.927 319 2HG1 ILE 42 3HG1 ILE 42 -3.738 0.988 0.291 320 1HG2 ILE 42 1HG2 ILE 42 -6.666 0.928 3.346 321 2HG2 ILE 42 2HG2 ILE 42 -6.636 -0.033 1.844 322 3HG2 ILE 42 3HG2 ILE 42 -5.568 -0.417 3.216 323 1HD1 ILE 42 1HD1 ILE 42 -2.073 -0.612 1.326 324 2HD1 ILE 42 2HD1 ILE 42 -1.999 1.067 1.871 325 3HD1 ILE 42 3HD1 ILE 42 -2.742 -0.172 2.898 326 H GLU 43 H GLU 43 -7.946 2.024 0.708 327 HA GLU 43 HA GLU 43 -8.988 3.070 3.249 328 1HB GLU 43 2HB GLU 43 -9.361 4.580 0.890 329 2HB GLU 43 3HB GLU 43 -10.810 3.586 0.968 330 1HG GLU 43 2HG GLU 43 -10.968 4.329 3.460 331 2HG GLU 43 3HG GLU 43 -9.783 5.560 3.029 332 H SER 44 H SER 44 -9.943 1.222 4.132 333 HA SER 44 HA SER 44 -11.825 -0.235 2.505 334 1HB SER 44 2HB SER 44 -9.616 -1.312 1.858 335 2HB SER 44 3HB SER 44 -9.463 -1.854 3.540 336 HG SER 44 HG SER 44 -10.538 -3.451 2.249 337 H GLU 45 H GLU 45 -12.886 -1.932 3.767 338 HA GLU 45 HA GLU 45 -13.123 -1.193 6.637 339 1HB GLU 45 2HB GLU 45 -15.119 -1.423 5.028 340 2HB GLU 45 3HB GLU 45 -14.862 -3.171 5.109 341 1HG GLU 45 2HG GLU 45 -15.299 -3.158 7.502 342 2HG GLU 45 3HG GLU 45 -15.236 -1.385 7.564 343 H HIS 46 H HIS 46 -10.729 -2.036 6.309 344 HA HIS 46 HA HIS 46 -10.513 -4.840 7.197 345 1HB HIS 46 2HB HIS 46 -10.271 -4.245 4.554 346 2HB HIS 46 3HB HIS 46 -8.656 -3.772 5.060 347 HD1 HIS 46 1HD HIS 46 -7.716 -6.156 6.831 348 HD2 HIS 46 2HD HIS 46 -10.264 -6.454 3.502 349 HE1 HIS 46 1HE HIS 46 -7.639 -8.590 6.063 350 H SER 47 H SER 47 -8.782 -4.931 8.753 351 HA SER 47 HA SER 47 -7.970 -2.402 9.771 352 1HB SER 47 2HB SER 47 -8.130 -4.418 11.213 353 2HB SER 47 3HB SER 47 -6.743 -5.115 10.339 354 HG SER 47 HG SER 47 -6.724 -2.706 11.861 355 H MET 48 H MET 48 -6.152 -1.288 9.679 356 HA MET 48 HA MET 48 -4.182 -1.358 7.731 357 1HB MET 48 2HB MET 48 -2.781 -0.051 9.144 358 2HB MET 48 3HB MET 48 -4.428 0.573 9.159 359 1HG MET 48 2HG MET 48 -3.386 -1.258 11.300 360 2HG MET 48 3HG MET 48 -3.139 0.490 11.350 361 1HE MET 48 1HE MET 48 -4.161 0.384 13.820 362 2HE MET 48 2HE MET 48 -5.796 -0.224 14.172 363 3HE MET 48 3HE MET 48 -4.526 -1.353 13.639 364 H ASP 49 H ASP 49 -4.387 -3.382 10.658 365 HA ASP 49 HA ASP 49 -1.799 -4.481 10.783 366 1HB ASP 49 2HB ASP 49 -3.239 -5.256 12.457 367 2HB ASP 49 3HB ASP 49 -4.606 -5.447 11.359 368 H THR 50 H THR 50 -4.550 -5.877 8.961 369 HA THR 50 HA THR 50 -2.904 -7.861 7.889 370 HB THR 50 HB THR 50 -5.515 -7.147 6.583 371 HG1 THR 50 1HG THR 50 -5.137 -7.783 9.331 372 1HG2 THR 50 1HG2 THR 50 -5.865 -9.608 6.907 373 2HG2 THR 50 2HG2 THR 50 -4.356 -9.268 6.033 374 3HG2 THR 50 3HG2 THR 50 -4.320 -9.708 7.756 375 H LEU 51 H LEU 51 -4.061 -4.746 6.573 376 HA LEU 51 HA LEU 51 -3.055 -4.940 3.928 377 1HB LEU 51 2HB LEU 51 -3.586 -2.729 5.934 378 2HB LEU 51 3HB LEU 51 -2.790 -2.362 4.434 379 HG LEU 51 HG LEU 51 -5.328 -2.146 4.724 380 1HD1 LEU 51 1HD1 LEU 51 -3.938 -1.961 2.651 381 2HD1 LEU 51 2HD1 LEU 51 -4.193 -3.683 2.347 382 3HD1 LEU 51 3HD1 LEU 51 -5.568 -2.547 2.284 383 1HD2 LEU 51 1HD2 LEU 51 -6.715 -4.020 3.946 384 2HD2 LEU 51 2HD2 LEU 51 -5.345 -5.121 4.036 385 3HD2 LEU 51 3HD2 LEU 51 -5.989 -4.371 5.514 386 H LEU 52 H LEU 52 -1.575 -3.555 6.874 387 HA LEU 52 HA LEU 52 1.018 -3.086 6.070 388 1HB LEU 52 2HB LEU 52 -0.211 -3.842 8.626 389 2HB LEU 52 3HB LEU 52 1.474 -4.256 8.463 390 HG LEU 52 HG LEU 52 0.553 -1.488 7.692 391 1HD1 LEU 52 1HD1 LEU 52 0.901 -0.777 10.020 392 2HD1 LEU 52 2HD1 LEU 52 -0.558 -1.722 9.687 393 3HD1 LEU 52 3HD1 LEU 52 0.838 -2.497 10.494 394 1HD2 LEU 52 1HD2 LEU 52 3.069 -2.551 9.075 395 2HD2 LEU 52 2HD2 LEU 52 2.953 -2.237 7.332 396 3HD2 LEU 52 3HD2 LEU 52 2.816 -0.898 8.489 397 H ALA 53 H ALA 53 -0.063 -6.209 7.508 398 HA ALA 53 HA ALA 53 2.358 -7.561 7.077 399 1HB ALA 53 1HB ALA 53 -0.471 -8.732 7.126 400 2HB ALA 53 2HB ALA 53 1.034 -9.627 7.433 401 3HB ALA 53 3HB ALA 53 0.513 -8.353 8.555 402 H THR 54 H THR 54 -0.354 -7.161 4.790 403 HA THR 54 HA THR 54 0.858 -8.781 2.711 404 HB THR 54 HB THR 54 -1.410 -6.794 2.878 405 HG1 THR 54 1HG THR 54 -1.324 -9.481 2.004 406 1HG2 THR 54 1HG2 THR 54 -0.493 -6.351 0.682 407 2HG2 THR 54 2HG2 THR 54 -0.379 -8.108 0.341 408 3HG2 THR 54 3HG2 THR 54 -1.950 -7.309 0.531 409 H LEU 55 H LEU 55 0.834 -5.193 3.318 410 HA LEU 55 HA LEU 55 2.023 -4.663 0.812 411 1HB LEU 55 2HB LEU 55 0.778 -3.219 2.951 412 2HB LEU 55 3HB LEU 55 2.360 -2.486 2.725 413 HG LEU 55 HG LEU 55 0.130 -2.778 0.725 414 1HD1 LEU 55 1HD1 LEU 55 0.219 -0.300 0.824 415 2HD1 LEU 55 2HD1 LEU 55 0.002 -0.966 2.456 416 3HD1 LEU 55 3HD1 LEU 55 1.592 -0.376 1.936 417 1HD2 LEU 55 1HD2 LEU 55 2.103 -3.081 -0.601 418 2HD2 LEU 55 2HD2 LEU 55 1.720 -1.356 -0.711 419 3HD2 LEU 55 3HD2 LEU 55 3.023 -1.906 0.370 420 H LYS 56 H LYS 56 3.257 -5.175 4.080 421 HA LYS 56 HA LYS 56 5.877 -4.380 4.007 422 1HB LYS 56 2HB LYS 56 4.544 -5.091 5.885 423 2HB LYS 56 3HB LYS 56 4.366 -6.726 5.251 424 1HG LYS 56 2HG LYS 56 6.503 -7.250 5.528 425 2HG LYS 56 3HG LYS 56 7.106 -5.573 5.795 426 1HD LYS 56 2HD LYS 56 5.586 -5.573 7.898 427 2HD LYS 56 3HD LYS 56 5.470 -7.324 7.716 428 1HE LYS 56 2HE LYS 56 7.987 -5.629 8.168 429 2HE LYS 56 3HE LYS 56 7.214 -6.694 9.348 430 1HZ LYS 56 1HZ LYS 56 9.131 -7.712 8.363 431 2HZ LYS 56 2HZ LYS 56 7.790 -8.563 7.941 432 3HZ LYS 56 3HZ LYS 56 8.516 -7.561 6.849 433 H LYS 57 H LYS 57 4.309 -7.188 2.523 434 HA LYS 57 HA LYS 57 6.704 -8.714 2.107 435 1HB LYS 57 2HB LYS 57 4.178 -8.896 0.435 436 2HB LYS 57 3HB LYS 57 5.462 -10.102 0.617 437 1HG LYS 57 2HG LYS 57 4.923 -10.052 3.151 438 2HG LYS 57 3HG LYS 57 3.453 -9.179 2.676 439 1HD LYS 57 2HD LYS 57 3.083 -11.155 0.999 440 2HD LYS 57 3HD LYS 57 4.271 -12.016 1.979 441 1HE LYS 57 2HE LYS 57 1.490 -11.030 2.720 442 2HE LYS 57 3HE LYS 57 2.146 -12.663 2.841 443 1HZ LYS 57 1HZ LYS 57 1.973 -11.685 4.984 444 2HZ LYS 57 2HZ LYS 57 3.581 -11.794 4.645 445 3HZ LYS 57 3HZ LYS 57 2.792 -10.339 4.540 446 H THR 58 H THR 58 5.575 -5.874 0.402 447 HA THR 58 HA THR 58 7.123 -6.277 -2.065 448 HB THR 58 HB THR 58 6.818 -3.975 -2.418 449 HG1 THR 58 1HG THR 58 5.674 -3.707 0.170 450 1HG2 THR 58 1HG2 THR 58 4.372 -3.749 -2.195 451 2HG2 THR 58 2HG2 THR 58 4.850 -5.346 -2.804 452 3HG2 THR 58 3HG2 THR 58 4.350 -5.136 -1.108 453 H GLY 59 H GLY 59 7.810 -5.335 1.237 454 1HA GLY 59 2HA GLY 59 9.583 -4.664 2.296 455 2HA GLY 59 3HA GLY 59 10.541 -5.742 1.243 456 H LYS 60 H LYS 60 8.715 -2.836 0.301 457 HA LYS 60 HA LYS 60 11.112 -1.460 -0.726 458 1HB LYS 60 2HB LYS 60 8.288 -0.463 -0.274 459 2HB LYS 60 3HB LYS 60 9.477 0.299 -1.310 460 1HG LYS 60 2HG LYS 60 8.108 -2.364 -1.786 461 2HG LYS 60 3HG LYS 60 7.814 -0.866 -2.654 462 1HD LYS 60 2HD LYS 60 10.261 -2.673 -2.784 463 2HD LYS 60 3HD LYS 60 9.096 -2.303 -4.057 464 1HE LYS 60 2HE LYS 60 9.776 0.211 -3.675 465 2HE LYS 60 3HE LYS 60 11.185 -0.421 -2.818 466 1HZ LYS 60 1HZ LYS 60 10.514 -0.714 -5.676 467 2HZ LYS 60 2HZ LYS 60 11.653 0.200 -4.940 468 3HZ LYS 60 3HZ LYS 60 11.819 -1.452 -4.934 469 H THR 61 H THR 61 10.961 1.100 0.061 470 HA THR 61 HA THR 61 11.405 1.204 2.884 471 HB THR 61 HB THR 61 10.909 3.488 1.050 472 HG1 THR 61 1HG THR 61 13.258 1.917 1.228 473 1HG2 THR 61 1HG2 THR 61 11.381 4.057 3.424 474 2HG2 THR 61 2HG2 THR 61 12.887 3.114 3.353 475 3HG2 THR 61 3HG2 THR 61 12.707 4.583 2.371 476 H VAL 62 H VAL 62 9.112 0.065 3.006 477 HA VAL 62 HA VAL 62 6.837 1.851 2.719 478 HB VAL 62 HB VAL 62 6.597 -0.272 1.949 479 1HG1 VAL 62 1HG1 VAL 62 6.480 -2.311 3.224 480 2HG1 VAL 62 2HG1 VAL 62 8.087 -1.619 3.447 481 3HG1 VAL 62 3HG1 VAL 62 6.868 -1.471 4.733 482 1HG2 VAL 62 1HG2 VAL 62 4.627 0.875 2.897 483 2HG2 VAL 62 2HG2 VAL 62 4.466 -0.891 2.933 484 3HG2 VAL 62 3HG2 VAL 62 4.871 -0.013 4.422 485 H SER 63 H SER 63 6.796 3.420 4.087 486 HA SER 63 HA SER 63 6.886 2.931 7.040 487 1HB SER 63 2HB SER 63 6.978 5.505 7.038 488 2HB SER 63 3HB SER 63 8.423 4.587 6.572 489 HG SER 63 HG SER 63 8.110 6.215 5.076 490 H TYR 64 H TYR 64 4.915 2.490 7.828 491 HA TYR 64 HA TYR 64 2.488 3.381 6.487 492 1HB TYR 64 2HB TYR 64 2.553 1.185 7.498 493 2HB TYR 64 3HB TYR 64 2.994 1.868 9.067 494 HD1 TYR 64 HD1 TYR 64 0.332 2.737 6.532 495 HD2 TYR 64 HD2 TYR 64 1.207 1.590 10.592 496 HE1 TYR 64 HE1 TYR 64 -1.889 3.498 7.240 497 HE2 TYR 64 HE2 TYR 64 -1.140 2.053 11.216 498 HH TYR 64 HH TYR 64 -2.964 4.206 9.396 499 H LEU 65 H LEU 65 1.245 5.113 7.049 500 HA LEU 65 HA LEU 65 2.231 7.023 9.072 501 1HB LEU 65 2HB LEU 65 0.164 7.295 6.894 502 2HB LEU 65 3HB LEU 65 0.526 8.503 8.123 503 HG LEU 65 HG LEU 65 3.057 8.143 7.385 504 1HD1 LEU 65 1HD1 LEU 65 3.264 7.815 4.968 505 2HD1 LEU 65 2HD1 LEU 65 2.666 6.355 5.750 506 3HD1 LEU 65 3HD1 LEU 65 1.542 7.399 4.855 507 1HD2 LEU 65 1HD2 LEU 65 2.820 10.004 5.837 508 2HD2 LEU 65 2HD2 LEU 65 1.050 9.768 5.807 509 3HD2 LEU 65 3HD2 LEU 65 1.873 10.222 7.327 510 H GLY 66 H GLY 66 0.012 8.154 10.106 511 1HA GLY 66 2HA GLY 66 -0.808 6.282 12.088 512 2HA GLY 66 3HA GLY 66 -1.489 7.890 11.802 513 H LEU 67 H LEU 67 -3.316 6.389 12.643 514 HA LEU 67 HA LEU 67 -4.861 5.039 10.520 515 1HB LEU 67 2HB LEU 67 -5.007 4.163 12.791 516 2HB LEU 67 3HB LEU 67 -5.381 5.769 13.432 517 HG LEU 67 HG LEU 67 -7.551 5.777 12.257 518 1HD1 LEU 67 1HD1 LEU 67 -7.076 4.386 10.304 519 2HD1 LEU 67 2HD1 LEU 67 -6.717 2.988 11.349 520 3HD1 LEU 67 3HD1 LEU 67 -8.369 3.638 11.245 521 1HD2 LEU 67 1HD2 LEU 67 -7.371 4.882 14.553 522 2HD2 LEU 67 2HD2 LEU 67 -8.631 4.048 13.628 523 3HD2 LEU 67 3HD2 LEU 67 -7.063 3.257 13.900 524 H GLU 68 H GLU 68 -6.254 6.243 9.185 525 HA GLU 68 HA GLU 68 -6.977 9.015 9.979 526 1HB GLU 68 2HB GLU 68 -5.890 8.002 7.329 527 2HB GLU 68 3HB GLU 68 -6.517 9.635 7.623 528 1HG GLU 68 2HG GLU 68 -4.636 10.107 9.132 529 2HG GLU 68 3HG GLU 68 -4.054 8.434 8.990 Start of MODEL 27 1 1H MET 1 H1 MET 1 -8.718 2.748 11.318 2 2H MET 1 H2 MET 1 -8.127 1.432 12.135 3 3H MET 1 H3 MET 1 -7.419 1.916 10.728 4 HA MET 1 HA MET 1 -8.650 0.013 10.323 5 1HB MET 1 2HB MET 1 -10.881 1.516 11.666 6 2HB MET 1 3HB MET 1 -11.234 0.289 10.421 7 1HG MET 1 2HG MET 1 -10.037 -1.404 11.650 8 2HG MET 1 3HG MET 1 -9.536 -0.229 12.883 9 1HE MET 1 1HE MET 1 -10.894 -3.041 13.499 10 2HE MET 1 2HE MET 1 -10.373 -1.884 14.753 11 3HE MET 1 3HE MET 1 -12.016 -2.563 14.794 12 HA PRO 2 HA PRO 2 -10.865 1.565 6.897 13 1HB PRO 2 2HB PRO 2 -12.181 3.779 6.361 14 2HB PRO 2 3HB PRO 2 -12.774 2.526 7.472 15 1HG PRO 2 2HG PRO 2 -11.341 4.999 8.404 16 2HG PRO 2 3HG PRO 2 -12.915 4.368 8.949 17 1HD PRO 2 2HD PRO 2 -10.711 3.683 10.324 18 2HD PRO 2 3HD PRO 2 -11.936 2.452 9.911 19 H LYS 3 H LYS 3 -9.502 5.039 7.165 20 HA LYS 3 HA LYS 3 -8.127 4.329 4.604 21 1HB LYS 3 2HB LYS 3 -8.217 7.058 5.817 22 2HB LYS 3 3HB LYS 3 -7.779 6.543 4.189 23 1HG LYS 3 2HG LYS 3 -10.217 5.702 3.956 24 2HG LYS 3 3HG LYS 3 -10.525 6.550 5.470 25 1HD LYS 3 2HD LYS 3 -9.296 8.584 4.128 26 2HD LYS 3 3HD LYS 3 -9.788 7.626 2.737 27 1HE LYS 3 2HE LYS 3 -11.569 9.143 3.086 28 2HE LYS 3 3HE LYS 3 -12.156 7.608 3.743 29 1HZ LYS 3 1HZ LYS 3 -11.043 9.913 5.227 30 2HZ LYS 3 2HZ LYS 3 -12.587 9.395 5.298 31 3HZ LYS 3 3HZ LYS 3 -11.376 8.506 5.975 32 H HIS 4 H HIS 4 -6.099 3.495 4.907 33 HA HIS 4 HA HIS 4 -4.391 4.814 6.997 34 1HB HIS 4 2HB HIS 4 -4.460 1.877 6.249 35 2HB HIS 4 3HB HIS 4 -3.037 2.668 6.943 36 HD1 HIS 4 1HD HIS 4 -3.700 4.208 9.297 37 HD2 HIS 4 2HD HIS 4 -6.066 0.935 8.104 38 HE1 HIS 4 1HE HIS 4 -5.001 3.473 11.349 39 H GLU 5 H GLU 5 -3.071 6.108 6.100 40 HA GLU 5 HA GLU 5 -2.281 5.905 3.357 41 1HB GLU 5 2HB GLU 5 -0.991 7.561 5.457 42 2HB GLU 5 3HB GLU 5 -1.062 7.946 3.777 43 1HG GLU 5 2HG GLU 5 -2.678 9.383 4.663 44 2HG GLU 5 3HG GLU 5 -3.752 7.979 4.553 45 H PHE 6 H PHE 6 -0.356 4.918 2.509 46 HA PHE 6 HA PHE 6 1.846 4.342 4.450 47 1HB PHE 6 2HB PHE 6 0.954 2.617 2.122 48 2HB PHE 6 3HB PHE 6 2.436 2.401 3.045 49 HD1 PHE 6 1HD PHE 6 2.459 1.098 5.054 50 HD2 PHE 6 2HD PHE 6 -1.325 2.370 3.392 51 HE1 PHE 6 1HE PHE 6 1.304 -0.372 6.555 52 HE2 PHE 6 2HE PHE 6 -2.500 0.919 4.986 53 HZ PHE 6 HZ PHE 6 -1.208 -0.496 6.580 54 H SER 7 H SER 7 3.784 5.089 3.867 55 HA SER 7 HA SER 7 4.101 6.332 1.160 56 1HB SER 7 2HB SER 7 4.777 7.719 3.088 57 2HB SER 7 3HB SER 7 5.968 6.492 3.554 58 HG SER 7 HG SER 7 6.854 6.866 1.373 59 H VAL 8 H VAL 8 5.513 5.304 -0.277 60 HA VAL 8 HA VAL 8 6.738 2.719 0.517 61 HB VAL 8 HB VAL 8 4.665 3.071 -1.679 62 1HG1 VAL 8 1HG1 VAL 8 6.371 1.433 -2.335 63 2HG1 VAL 8 2HG1 VAL 8 6.241 0.621 -0.758 64 3HG1 VAL 8 3HG1 VAL 8 4.890 0.579 -1.905 65 1HG2 VAL 8 1HG2 VAL 8 3.495 2.923 0.482 66 2HG2 VAL 8 2HG2 VAL 8 3.363 1.346 -0.303 67 3HG2 VAL 8 3HG2 VAL 8 4.548 1.577 0.982 68 H ASP 9 H ASP 9 8.737 2.800 -0.315 69 HA ASP 9 HA ASP 9 9.787 4.362 -2.382 70 1HB ASP 9 2HB ASP 9 11.438 3.145 -1.408 71 2HB ASP 9 3HB ASP 9 10.434 1.694 -1.260 72 H MET 10 H MET 10 8.699 4.794 -4.132 73 HA MET 10 HA MET 10 8.098 2.628 -6.082 74 1HB MET 10 2HB MET 10 7.015 5.462 -5.960 75 2HB MET 10 3HB MET 10 6.738 4.302 -7.249 76 1HG MET 10 2HG MET 10 5.839 3.927 -4.363 77 2HG MET 10 3HG MET 10 4.840 4.570 -5.663 78 1HE MET 10 1HE MET 10 2.950 3.003 -5.115 79 2HE MET 10 2HE MET 10 3.093 1.236 -4.986 80 3HE MET 10 3HE MET 10 3.893 2.280 -3.788 81 H THR 11 H THR 11 10.534 2.653 -6.306 82 HA THR 11 HA THR 11 11.736 4.990 -7.460 83 HB THR 11 HB THR 11 12.979 3.343 -6.187 84 HG1 THR 11 1HG THR 11 14.758 3.330 -7.574 85 1HG2 THR 11 1HG2 THR 11 12.576 1.484 -8.574 86 2HG2 THR 11 2HG2 THR 11 13.781 1.254 -7.293 87 3HG2 THR 11 3HG2 THR 11 12.069 1.219 -6.887 88 H CYS 12 HN CYS 12 9.787 2.393 -8.914 89 HA CYS 12 HA CYS 12 9.767 3.942 -11.366 90 1HB CYS 12 2HB CYS 12 10.419 2.178 -12.862 91 2HB CYS 12 3HB CYS 12 11.697 2.341 -11.664 92 H GLY 13 H GLY 13 8.125 2.930 -12.889 93 1HA GLY 13 2HA GLY 13 5.578 2.661 -11.834 94 2HA GLY 13 3HA GLY 13 6.096 1.994 -13.386 95 H GLY 14 H GLY 14 7.955 0.102 -12.543 96 1HA GLY 14 2HA GLY 14 6.455 -2.179 -12.179 97 2HA GLY 14 3HA GLY 14 8.186 -2.032 -11.811 98 H CYS 15 HN CYS 15 7.776 -0.012 -9.648 99 HA CYS 15 HA CYS 15 7.377 -1.803 -7.435 100 1HB CYS 15 2HB CYS 15 7.319 1.219 -7.632 101 2HB CYS 15 3HB CYS 15 7.410 0.306 -6.126 102 H ALA 16 H ALA 16 5.291 0.617 -9.084 103 HA ALA 16 HA ALA 16 3.090 0.367 -7.211 104 1HB ALA 16 1HB ALA 16 3.180 2.357 -8.522 105 2HB ALA 16 2HB ALA 16 3.226 1.448 -10.055 106 3HB ALA 16 3HB ALA 16 1.771 1.432 -9.058 107 H GLU 17 H GLU 17 3.893 -1.084 -10.394 108 HA GLU 17 HA GLU 17 1.598 -2.701 -10.679 109 1HB GLU 17 2HB GLU 17 4.478 -3.295 -11.475 110 2HB GLU 17 3HB GLU 17 3.062 -4.157 -12.074 111 1HG GLU 17 2HG GLU 17 2.214 -2.201 -13.190 112 2HG GLU 17 3HG GLU 17 3.397 -1.139 -12.421 113 H ALA 18 H ALA 18 4.721 -3.535 -9.101 114 HA ALA 18 HA ALA 18 4.023 -6.116 -8.205 115 1HB ALA 18 1HB ALA 18 5.918 -4.085 -6.948 116 2HB ALA 18 2HB ALA 18 5.889 -5.828 -6.610 117 3HB ALA 18 3HB ALA 18 6.326 -5.244 -8.231 118 H VAL 19 H VAL 19 3.809 -2.952 -6.405 119 HA VAL 19 HA VAL 19 2.735 -4.018 -4.040 120 HB VAL 19 HB VAL 19 2.535 -1.312 -5.426 121 1HG1 VAL 19 1HG1 VAL 19 1.429 -2.333 -2.820 122 2HG1 VAL 19 2HG1 VAL 19 1.795 -0.595 -3.063 123 3HG1 VAL 19 3HG1 VAL 19 0.595 -1.387 -4.096 124 1HG2 VAL 19 1HG2 VAL 19 4.784 -2.193 -4.403 125 2HG2 VAL 19 2HG2 VAL 19 4.206 -0.596 -3.910 126 3HG2 VAL 19 3HG2 VAL 19 3.977 -1.980 -2.836 127 H SER 20 H SER 20 1.117 -2.787 -6.979 128 HA SER 20 HA SER 20 -1.530 -3.067 -6.073 129 1HB SER 20 2HB SER 20 -0.594 -1.989 -8.255 130 2HB SER 20 3HB SER 20 -0.608 -3.596 -8.960 131 HG SER 20 HG SER 20 -2.541 -2.382 -9.362 132 H ARG 21 H ARG 21 0.503 -5.361 -7.882 133 HA ARG 21 HA ARG 21 -1.246 -7.557 -7.874 134 1HB ARG 21 2HB ARG 21 0.457 -8.404 -8.948 135 2HB ARG 21 3HB ARG 21 1.497 -7.089 -8.459 136 1HG ARG 21 2HG ARG 21 2.263 -8.312 -6.492 137 2HG ARG 21 3HG ARG 21 1.158 -9.653 -6.851 138 1HD ARG 21 2HD ARG 21 2.293 -10.035 -9.000 139 2HD ARG 21 3HD ARG 21 3.325 -8.609 -8.727 140 HE ARG 21 HE ARG 21 3.649 -10.366 -6.531 141 1HH1 ARG 21 2HH2 ARG 21 4.382 -10.199 -9.973 142 2HH1 ARG 21 1HH2 ARG 21 5.812 -11.180 -9.899 143 1HH2 ARG 21 2HH1 ARG 21 5.563 -11.682 -6.374 144 2HH2 ARG 21 1HH1 ARG 21 6.489 -12.046 -7.791 145 H VAL 22 H VAL 22 0.939 -6.522 -5.228 146 HA VAL 22 HA VAL 22 0.443 -8.782 -3.549 147 HB VAL 22 HB VAL 22 2.044 -6.377 -3.569 148 1HG1 VAL 22 1HG1 VAL 22 2.118 -5.914 -1.117 149 2HG1 VAL 22 2HG1 VAL 22 0.688 -5.299 -1.921 150 3HG1 VAL 22 3HG1 VAL 22 0.603 -6.783 -0.924 151 1HG2 VAL 22 1HG2 VAL 22 2.896 -8.627 -3.372 152 2HG2 VAL 22 2HG2 VAL 22 3.430 -7.589 -2.038 153 3HG2 VAL 22 3HG2 VAL 22 2.142 -8.785 -1.759 154 H LEU 23 H LEU 23 -0.863 -5.502 -3.605 155 HA LEU 23 HA LEU 23 -2.618 -5.915 -1.338 156 1HB LEU 23 2HB LEU 23 -2.036 -3.754 -3.327 157 2HB LEU 23 3HB LEU 23 -3.607 -3.671 -2.628 158 HG LEU 23 HG LEU 23 -0.969 -3.861 -1.078 159 1HD1 LEU 23 1HD1 LEU 23 -1.218 -1.757 -2.435 160 2HD1 LEU 23 2HD1 LEU 23 -2.780 -1.471 -1.634 161 3HD1 LEU 23 3HD1 LEU 23 -1.272 -1.453 -0.692 162 1HD2 LEU 23 1HD2 LEU 23 -2.329 -3.159 0.836 163 2HD2 LEU 23 2HD2 LEU 23 -3.771 -3.073 -0.223 164 3HD2 LEU 23 3HD2 LEU 23 -3.037 -4.626 0.190 165 H ASN 24 H ASN 24 -3.013 -6.172 -4.883 166 HA ASN 24 HA ASN 24 -5.837 -6.538 -4.804 167 1HB ASN 24 2HB ASN 24 -4.628 -6.121 -6.904 168 2HB ASN 24 3HB ASN 24 -3.828 -7.696 -6.773 169 1HD2 ASN 24 1HD2 ASN 24 -7.070 -7.976 -5.566 170 2HD2 ASN 24 2HD2 ASN 24 -7.733 -8.580 -7.068 171 H LYS 25 H LYS 25 -3.069 -8.823 -4.459 172 HA LYS 25 HA LYS 25 -4.616 -11.119 -4.021 173 1HB LYS 25 2HB LYS 25 -1.915 -10.564 -3.906 174 2HB LYS 25 3HB LYS 25 -2.266 -10.928 -2.215 175 1HG LYS 25 2HG LYS 25 -3.454 -13.013 -2.964 176 2HG LYS 25 3HG LYS 25 -2.952 -12.652 -4.635 177 1HD LYS 25 2HD LYS 25 -0.549 -12.663 -3.839 178 2HD LYS 25 3HD LYS 25 -1.107 -13.251 -2.271 179 1HE LYS 25 2HE LYS 25 -1.412 -14.628 -4.994 180 2HE LYS 25 3HE LYS 25 -0.315 -15.110 -3.695 181 1HZ LYS 25 1HZ LYS 25 -3.261 -15.183 -3.574 182 2HZ LYS 25 2HZ LYS 25 -2.263 -16.475 -3.733 183 3HZ LYS 25 3HZ LYS 25 -2.255 -15.603 -2.340 184 H LEU 26 H LEU 26 -3.943 -8.487 -1.729 185 HA LEU 26 HA LEU 26 -5.307 -9.632 0.543 186 1HB LEU 26 2HB LEU 26 -3.869 -7.428 0.371 187 2HB LEU 26 3HB LEU 26 -5.367 -6.683 -0.158 188 HG LEU 26 HG LEU 26 -5.185 -6.141 2.032 189 1HD1 LEU 26 1HD1 LEU 26 -7.110 -8.442 2.238 190 2HD1 LEU 26 2HD1 LEU 26 -7.195 -6.790 2.906 191 3HD1 LEU 26 3HD1 LEU 26 -7.427 -7.056 1.173 192 1HD2 LEU 26 1HD2 LEU 26 -3.588 -7.690 2.868 193 2HD2 LEU 26 2HD2 LEU 26 -5.023 -7.668 3.901 194 3HD2 LEU 26 3HD2 LEU 26 -4.753 -9.039 2.793 195 H GLY 27 H GLY 27 -6.366 -7.522 -2.154 196 1HA GLY 27 2HA GLY 27 -8.260 -7.720 -3.465 197 2HA GLY 27 3HA GLY 27 -8.842 -9.038 -2.443 198 H GLY 28 H GLY 28 -9.195 -8.030 -0.023 199 1HA GLY 28 2HA GLY 28 -11.521 -6.294 -0.275 200 2HA GLY 28 3HA GLY 28 -10.806 -6.921 1.217 201 H VAL 29 H VAL 29 -9.627 -4.793 -1.420 202 HA VAL 29 HA VAL 29 -9.175 -2.519 0.391 203 HB VAL 29 HB VAL 29 -6.841 -2.289 -0.395 204 1HG1 VAL 29 1HG1 VAL 29 -7.251 -4.995 0.896 205 2HG1 VAL 29 2HG1 VAL 29 -5.796 -4.018 0.984 206 3HG1 VAL 29 3HG1 VAL 29 -7.287 -3.464 1.792 207 1HG2 VAL 29 1HG2 VAL 29 -5.648 -4.067 -1.482 208 2HG2 VAL 29 2HG2 VAL 29 -7.054 -5.158 -1.403 209 3HG2 VAL 29 3HG2 VAL 29 -7.078 -3.757 -2.477 210 H LYS 30 H LYS 30 -9.066 -0.518 -0.772 211 HA LYS 30 HA LYS 30 -8.350 -0.641 -3.553 212 1HB LYS 30 2HB LYS 30 -10.886 0.738 -2.623 213 2HB LYS 30 3HB LYS 30 -9.935 1.389 -3.955 214 1HG LYS 30 2HG LYS 30 -11.185 -1.385 -3.885 215 2HG LYS 30 3HG LYS 30 -11.790 0.032 -4.714 216 1HD LYS 30 2HD LYS 30 -10.765 -0.746 -6.531 217 2HD LYS 30 3HD LYS 30 -9.349 0.050 -5.874 218 1HE LYS 30 2HE LYS 30 -9.014 -2.257 -6.825 219 2HE LYS 30 3HE LYS 30 -8.369 -2.049 -5.204 220 1HZ LYS 30 1HZ LYS 30 -10.125 -3.221 -4.297 221 2HZ LYS 30 2HZ LYS 30 -11.002 -3.269 -5.706 222 3HZ LYS 30 3HZ LYS 30 -9.598 -4.123 -5.548 223 H TYR 31 H TYR 31 -7.196 1.351 -4.110 224 HA TYR 31 HA TYR 31 -6.310 2.890 -1.820 225 1HB TYR 31 2HB TYR 31 -3.937 1.946 -2.149 226 2HB TYR 31 3HB TYR 31 -5.092 0.941 -1.302 227 HD1 TYR 31 HD1 TYR 31 -6.240 -1.008 -2.413 228 HD2 TYR 31 HD2 TYR 31 -2.709 0.913 -3.916 229 HE1 TYR 31 HE1 TYR 31 -5.978 -2.813 -4.094 230 HE2 TYR 31 HE2 TYR 31 -2.267 -1.055 -5.347 231 HH TYR 31 HH TYR 31 -4.532 -3.830 -5.571 232 H ASP 32 H ASP 32 -4.993 4.586 -2.320 233 HA ASP 32 HA ASP 32 -5.091 5.474 -5.148 234 1HB ASP 32 2HB ASP 32 -6.044 7.008 -3.434 235 2HB ASP 32 3HB ASP 32 -4.514 6.964 -2.552 236 H ILE 33 H ILE 33 -3.226 5.263 -6.284 237 HA ILE 33 HA ILE 33 -0.699 4.537 -4.896 238 HB ILE 33 HB ILE 33 -1.872 3.911 -7.627 239 1HG1 ILE 33 2HG1 ILE 33 -1.136 1.933 -5.446 240 2HG1 ILE 33 3HG1 ILE 33 -2.742 2.691 -5.473 241 1HG2 ILE 33 1HG2 ILE 33 0.777 3.085 -6.381 242 2HG2 ILE 33 2HG2 ILE 33 0.083 2.388 -7.865 243 3HG2 ILE 33 3HG2 ILE 33 0.548 4.089 -7.829 244 1HD1 ILE 33 1HD1 ILE 33 -1.651 0.860 -7.615 245 2HD1 ILE 33 2HD1 ILE 33 -3.159 0.734 -6.682 246 3HD1 ILE 33 3HD1 ILE 33 -3.012 1.972 -7.901 247 H ASP 34 H ASP 34 0.157 6.619 -4.646 248 HA ASP 34 HA ASP 34 0.335 8.358 -7.068 249 1HB ASP 34 2HB ASP 34 -0.262 9.400 -4.893 250 2HB ASP 34 3HB ASP 34 1.347 8.951 -4.292 251 H LEU 35 H LEU 35 1.903 7.759 -8.393 252 HA LEU 35 HA LEU 35 4.218 6.222 -7.524 253 1HB LEU 35 2HB LEU 35 3.070 7.157 -10.116 254 2HB LEU 35 3HB LEU 35 4.829 7.004 -10.033 255 HG LEU 35 HG LEU 35 2.806 4.804 -9.355 256 1HD1 LEU 35 1HD1 LEU 35 4.444 5.210 -11.893 257 2HD1 LEU 35 2HD1 LEU 35 3.374 3.836 -11.544 258 3HD1 LEU 35 3HD1 LEU 35 2.689 5.460 -11.732 259 1HD2 LEU 35 1HD2 LEU 35 4.838 4.233 -8.275 260 2HD2 LEU 35 2HD2 LEU 35 4.887 3.314 -9.770 261 3HD2 LEU 35 3HD2 LEU 35 5.847 4.794 -9.636 262 HA PRO 36 HA PRO 36 6.563 10.427 -8.716 263 1HB PRO 36 2HB PRO 36 4.130 12.097 -7.966 264 2HB PRO 36 3HB PRO 36 5.550 12.594 -8.932 265 1HG PRO 36 2HG PRO 36 3.289 11.799 -10.182 266 2HG PRO 36 3HG PRO 36 4.863 11.158 -10.747 267 1HD PRO 36 2HD PRO 36 2.790 9.802 -9.033 268 2HD PRO 36 3HD PRO 36 3.815 9.160 -10.351 269 H ASN 37 H ASN 37 3.986 10.439 -6.256 270 HA ASN 37 HA ASN 37 5.817 11.551 -4.220 271 1HB ASN 37 2HB ASN 37 3.114 11.956 -4.718 272 2HB ASN 37 3HB ASN 37 3.062 10.860 -3.357 273 1HD2 ASN 37 1HD2 ASN 37 4.627 13.818 -4.618 274 2HD2 ASN 37 2HD2 ASN 37 4.746 14.651 -3.082 275 H LYS 38 H LYS 38 5.111 8.440 -5.258 276 HA LYS 38 HA LYS 38 5.647 6.423 -4.408 277 1HB LYS 38 2HB LYS 38 7.425 8.008 -2.505 278 2HB LYS 38 3HB LYS 38 7.727 6.412 -3.205 279 1HG LYS 38 2HG LYS 38 7.648 7.533 -5.496 280 2HG LYS 38 3HG LYS 38 7.668 9.074 -4.619 281 1HD LYS 38 2HD LYS 38 9.870 8.565 -3.690 282 2HD LYS 38 3HD LYS 38 9.830 6.952 -4.424 283 1HE LYS 38 2HE LYS 38 11.163 8.500 -5.817 284 2HE LYS 38 3HE LYS 38 9.756 7.872 -6.681 285 1HZ LYS 38 1HZ LYS 38 8.614 9.978 -6.239 286 2HZ LYS 38 2HZ LYS 38 9.925 10.543 -5.440 287 3HZ LYS 38 3HZ LYS 38 10.018 10.210 -7.047 288 H LYS 39 H LYS 39 3.243 6.645 -3.706 289 HA LYS 39 HA LYS 39 3.026 6.122 -0.818 290 1HB LYS 39 2HB LYS 39 2.197 8.621 -2.274 291 2HB LYS 39 3HB LYS 39 1.054 8.015 -1.093 292 1HG LYS 39 2HG LYS 39 2.745 8.137 0.673 293 2HG LYS 39 3HG LYS 39 3.981 8.615 -0.509 294 1HD LYS 39 2HD LYS 39 2.560 10.597 -1.095 295 2HD LYS 39 3HD LYS 39 1.474 10.182 0.243 296 1HE LYS 39 2HE LYS 39 3.295 10.484 1.867 297 2HE LYS 39 3HE LYS 39 4.486 10.647 0.561 298 1HZ LYS 39 1HZ LYS 39 3.889 12.778 1.435 299 2HZ LYS 39 2HZ LYS 39 3.441 12.633 -0.143 300 3HZ LYS 39 3HZ LYS 39 2.300 12.552 1.046 301 H VAL 40 H VAL 40 1.178 5.115 -0.231 302 HA VAL 40 HA VAL 40 -0.699 4.113 -2.282 303 HB VAL 40 HB VAL 40 0.774 2.422 -0.209 304 1HG1 VAL 40 1HG1 VAL 40 -0.984 1.736 -2.596 305 2HG1 VAL 40 2HG1 VAL 40 -0.193 0.571 -1.509 306 3HG1 VAL 40 3HG1 VAL 40 -1.471 1.634 -0.889 307 1HG2 VAL 40 1HG2 VAL 40 2.394 3.141 -1.805 308 2HG2 VAL 40 2HG2 VAL 40 1.954 1.470 -2.164 309 3HG2 VAL 40 3HG2 VAL 40 1.286 2.786 -3.167 310 H CYS 41 H CYS 41 -2.473 5.317 -1.354 311 HA CYS 41 HA CYS 41 -2.776 5.084 1.612 312 1HB CYS 41 2HB CYS 41 -4.052 7.020 -0.313 313 2HB CYS 41 3HB CYS 41 -4.381 6.940 1.407 314 HG CYS 41 HG CYS 41 -1.518 7.485 -0.117 315 H ILE 42 H ILE 42 -4.098 3.578 2.362 316 HA ILE 42 HA ILE 42 -5.765 2.312 0.297 317 HB ILE 42 HB ILE 42 -4.786 1.062 2.896 318 1HG1 ILE 42 2HG1 ILE 42 -3.388 1.090 0.203 319 2HG1 ILE 42 3HG1 ILE 42 -2.835 1.778 1.743 320 1HG2 ILE 42 1HG2 ILE 42 -6.572 -0.178 2.044 321 2HG2 ILE 42 2HG2 ILE 42 -6.163 0.122 0.360 322 3HG2 ILE 42 3HG2 ILE 42 -5.201 -1.008 1.276 323 1HD1 ILE 42 1HD1 ILE 42 -1.597 -0.211 1.226 324 2HD1 ILE 42 2HD1 ILE 42 -2.462 -0.361 2.737 325 3HD1 ILE 42 3HD1 ILE 42 -3.067 -1.169 1.272 326 H GLU 43 H GLU 43 -7.919 2.332 0.435 327 HA GLU 43 HA GLU 43 -9.245 3.140 2.980 328 1HB GLU 43 2HB GLU 43 -10.316 3.075 0.131 329 2HB GLU 43 3HB GLU 43 -11.173 3.582 1.593 330 1HG GLU 43 2HG GLU 43 -9.283 5.320 1.900 331 2HG GLU 43 3HG GLU 43 -8.834 4.954 0.229 332 H SER 44 H SER 44 -9.322 1.187 4.113 333 HA SER 44 HA SER 44 -11.652 -0.260 3.394 334 1HB SER 44 2HB SER 44 -10.047 -1.625 2.112 335 2HB SER 44 3HB SER 44 -9.113 -1.941 3.592 336 HG SER 44 HG SER 44 -10.701 -3.563 2.969 337 H GLU 45 H GLU 45 -12.684 -0.767 5.301 338 HA GLU 45 HA GLU 45 -11.720 -0.192 7.904 339 1HB GLU 45 2HB GLU 45 -13.618 -1.559 8.648 340 2HB GLU 45 3HB GLU 45 -14.068 -0.367 7.422 341 1HG GLU 45 2HG GLU 45 -14.052 -2.155 5.678 342 2HG GLU 45 3HG GLU 45 -13.591 -3.334 6.917 343 H HIS 46 H HIS 46 -11.048 -2.786 5.819 344 HA HIS 46 HA HIS 46 -10.539 -5.012 7.389 345 1HB HIS 46 2HB HIS 46 -10.413 -4.721 4.892 346 2HB HIS 46 3HB HIS 46 -8.783 -4.055 5.089 347 HD1 HIS 46 1HD HIS 46 -7.528 -6.280 6.982 348 HD2 HIS 46 2HD HIS 46 -10.008 -6.861 3.627 349 HE1 HIS 46 1HE HIS 46 -7.137 -8.665 6.160 350 H SER 47 H SER 47 -8.978 -5.639 8.837 351 HA SER 47 HA SER 47 -7.857 -3.753 10.402 352 1HB SER 47 2HB SER 47 -8.135 -6.203 10.979 353 2HB SER 47 3HB SER 47 -6.589 -6.485 10.134 354 HG SER 47 HG SER 47 -6.258 -6.133 12.357 355 H MET 48 H MET 48 -6.049 -2.623 10.636 356 HA MET 48 HA MET 48 -4.494 -2.101 8.341 357 1HB MET 48 2HB MET 48 -3.493 -0.355 9.443 358 2HB MET 48 3HB MET 48 -5.119 -0.498 10.146 359 1HG MET 48 2HG MET 48 -4.090 -1.863 11.974 360 2HG MET 48 3HG MET 48 -2.489 -1.389 11.358 361 1HE MET 48 1HE MET 48 -3.327 -0.922 14.367 362 2HE MET 48 2HE MET 48 -1.751 -0.444 13.681 363 3HE MET 48 3HE MET 48 -2.707 0.728 14.617 364 H ASP 49 H ASP 49 -3.954 -4.154 11.114 365 HA ASP 49 HA ASP 49 -1.259 -4.954 10.959 366 1HB ASP 49 2HB ASP 49 -2.515 -6.028 12.633 367 2HB ASP 49 3HB ASP 49 -3.923 -6.261 11.586 368 H THR 50 H THR 50 -4.056 -6.320 9.203 369 HA THR 50 HA THR 50 -2.442 -8.079 7.765 370 HB THR 50 HB THR 50 -5.242 -7.293 6.940 371 HG1 THR 50 1HG THR 50 -4.373 -8.384 9.407 372 1HG2 THR 50 1HG2 THR 50 -3.727 -9.935 7.253 373 2HG2 THR 50 2HG2 THR 50 -5.437 -9.823 6.837 374 3HG2 THR 50 3HG2 THR 50 -4.220 -9.158 5.726 375 H LEU 51 H LEU 51 -3.817 -4.890 6.926 376 HA LEU 51 HA LEU 51 -2.959 -4.688 4.209 377 1HB LEU 51 2HB LEU 51 -3.379 -2.731 6.497 378 2HB LEU 51 3HB LEU 51 -2.724 -2.201 4.977 379 HG LEU 51 HG LEU 51 -5.318 -2.126 5.581 380 1HD1 LEU 51 1HD1 LEU 51 -4.295 -1.120 3.667 381 2HD1 LEU 51 2HD1 LEU 51 -4.020 -2.696 2.892 382 3HD1 LEU 51 3HD1 LEU 51 -5.683 -2.086 3.117 383 1HD2 LEU 51 1HD2 LEU 51 -6.614 -3.827 4.426 384 2HD2 LEU 51 2HD2 LEU 51 -5.178 -4.797 4.111 385 3HD2 LEU 51 3HD2 LEU 51 -5.744 -4.545 5.778 386 H LEU 52 H LEU 52 -1.343 -3.488 7.188 387 HA LEU 52 HA LEU 52 1.129 -2.759 6.314 388 1HB LEU 52 2HB LEU 52 0.102 -3.910 8.808 389 2HB LEU 52 3HB LEU 52 1.821 -4.135 8.525 390 HG LEU 52 HG LEU 52 0.514 -1.431 8.181 391 1HD1 LEU 52 1HD1 LEU 52 1.095 -0.919 10.481 392 2HD1 LEU 52 2HD1 LEU 52 -0.159 -2.166 10.309 393 3HD1 LEU 52 3HD1 LEU 52 1.507 -2.642 10.741 394 1HD2 LEU 52 1HD2 LEU 52 2.839 -0.666 8.719 395 2HD2 LEU 52 2HD2 LEU 52 3.336 -2.333 9.032 396 3HD2 LEU 52 3HD2 LEU 52 2.935 -1.828 7.384 397 H ALA 53 H ALA 53 0.448 -6.035 7.593 398 HA ALA 53 HA ALA 53 2.975 -7.070 6.897 399 1HB ALA 53 1HB ALA 53 1.958 -9.272 7.462 400 2HB ALA 53 2HB ALA 53 1.483 -8.033 8.642 401 3HB ALA 53 3HB ALA 53 0.336 -8.549 7.388 402 H THR 54 H THR 54 -0.108 -7.038 4.986 403 HA THR 54 HA THR 54 1.042 -8.722 2.973 404 HB THR 54 HB THR 54 -1.394 -6.929 3.005 405 HG1 THR 54 1HG THR 54 -1.703 -8.537 4.362 406 1HG2 THR 54 1HG2 THR 54 -0.953 -7.235 0.727 407 2HG2 THR 54 2HG2 THR 54 -0.363 -8.899 0.937 408 3HG2 THR 54 3HG2 THR 54 -2.084 -8.540 1.129 409 H LEU 55 H LEU 55 0.882 -5.160 3.426 410 HA LEU 55 HA LEU 55 1.806 -4.609 0.787 411 1HB LEU 55 2HB LEU 55 0.914 -3.196 3.089 412 2HB LEU 55 3HB LEU 55 2.535 -2.574 2.738 413 HG LEU 55 HG LEU 55 -0.004 -2.500 1.138 414 1HD1 LEU 55 1HD1 LEU 55 0.571 -0.021 1.227 415 2HD1 LEU 55 2HD1 LEU 55 0.332 -0.760 2.826 416 3HD1 LEU 55 3HD1 LEU 55 1.967 -0.420 2.221 417 1HD2 LEU 55 1HD2 LEU 55 1.347 -1.259 -0.601 418 2HD2 LEU 55 2HD2 LEU 55 2.815 -1.937 0.160 419 3HD2 LEU 55 3HD2 LEU 55 1.582 -3.008 -0.562 420 H LYS 56 H LYS 56 3.322 -5.065 3.937 421 HA LYS 56 HA LYS 56 6.037 -4.753 3.421 422 1HB LYS 56 2HB LYS 56 4.447 -6.574 5.237 423 2HB LYS 56 3HB LYS 56 6.199 -6.641 5.186 424 1HG LYS 56 2HG LYS 56 6.379 -4.345 5.876 425 2HG LYS 56 3HG LYS 56 4.672 -4.040 5.659 426 1HD LYS 56 2HD LYS 56 5.394 -4.232 8.049 427 2HD LYS 56 3HD LYS 56 4.084 -5.297 7.595 428 1HE LYS 56 2HE LYS 56 5.703 -6.452 9.042 429 2HE LYS 56 3HE LYS 56 5.594 -7.232 7.463 430 1HZ LYS 56 1HZ LYS 56 7.861 -6.996 8.186 431 2HZ LYS 56 2HZ LYS 56 7.619 -6.096 6.833 432 3HZ LYS 56 3HZ LYS 56 7.719 -5.363 8.306 433 H LYS 57 H LYS 57 3.958 -7.456 2.321 434 HA LYS 57 HA LYS 57 6.049 -9.332 1.866 435 1HB LYS 57 2HB LYS 57 3.444 -8.978 0.356 436 2HB LYS 57 3HB LYS 57 4.523 -10.356 0.175 437 1HG LYS 57 2HG LYS 57 4.187 -11.123 2.403 438 2HG LYS 57 3HG LYS 57 3.473 -9.592 2.890 439 1HD LYS 57 2HD LYS 57 1.568 -10.035 1.294 440 2HD LYS 57 3HD LYS 57 2.203 -11.660 1.052 441 1HE LYS 57 2HE LYS 57 1.725 -12.358 3.244 442 2HE LYS 57 3HE LYS 57 1.756 -10.730 3.916 443 1HZ LYS 57 1HZ LYS 57 -0.414 -11.675 2.166 444 2HZ LYS 57 2HZ LYS 57 -0.447 -11.718 3.805 445 3HZ LYS 57 3HZ LYS 57 -0.398 -10.281 3.052 446 H THR 58 H THR 58 5.295 -6.368 0.103 447 HA THR 58 HA THR 58 6.747 -7.062 -2.320 448 HB THR 58 HB THR 58 6.851 -4.689 -2.697 449 HG1 THR 58 1HG THR 58 5.603 -4.278 -0.168 450 1HG2 THR 58 1HG2 THR 58 4.180 -5.417 -1.494 451 2HG2 THR 58 2HG2 THR 58 4.503 -4.124 -2.652 452 3HG2 THR 58 3HG2 THR 58 4.715 -5.818 -3.148 453 H GLY 59 H GLY 59 7.603 -5.890 0.887 454 1HA GLY 59 2HA GLY 59 9.474 -5.365 1.901 455 2HA GLY 59 3HA GLY 59 10.367 -6.433 0.790 456 H LYS 60 H LYS 60 8.510 -3.514 -0.151 457 HA LYS 60 HA LYS 60 10.992 -2.112 -1.007 458 1HB LYS 60 2HB LYS 60 8.231 -0.897 -0.787 459 2HB LYS 60 3HB LYS 60 9.569 -0.381 -1.810 460 1HG LYS 60 2HG LYS 60 7.874 -2.851 -2.132 461 2HG LYS 60 3HG LYS 60 7.747 -1.424 -3.123 462 1HD LYS 60 2HD LYS 60 10.461 -2.776 -3.037 463 2HD LYS 60 3HD LYS 60 9.152 -3.674 -3.786 464 1HE LYS 60 2HE LYS 60 10.412 -2.327 -5.431 465 2HE LYS 60 3HE LYS 60 8.696 -1.914 -5.370 466 1HZ LYS 60 1HZ LYS 60 10.063 -0.005 -5.514 467 2HZ LYS 60 2HZ LYS 60 9.275 0.084 -4.104 468 3HZ LYS 60 3HZ LYS 60 10.857 -0.307 -4.090 469 H THR 61 H THR 61 11.298 0.171 -0.122 470 HA THR 61 HA THR 61 11.129 0.346 2.722 471 HB THR 61 HB THR 61 11.352 2.635 0.857 472 HG1 THR 61 1HG THR 61 13.546 2.111 0.634 473 1HG2 THR 61 1HG2 THR 61 12.908 3.510 2.572 474 2HG2 THR 61 2HG2 THR 61 11.333 3.128 3.290 475 3HG2 THR 61 3HG2 THR 61 12.707 2.021 3.517 476 H VAL 62 H VAL 62 8.910 -0.339 2.874 477 HA VAL 62 HA VAL 62 6.806 1.670 2.422 478 HB VAL 62 HB VAL 62 6.165 -0.616 2.143 479 1HG1 VAL 62 1HG1 VAL 62 6.866 -1.049 5.078 480 2HG1 VAL 62 2HG1 VAL 62 6.004 -2.188 4.028 481 3HG1 VAL 62 3HG1 VAL 62 7.695 -1.789 3.687 482 1HG2 VAL 62 1HG2 VAL 62 4.519 1.053 3.138 483 2HG2 VAL 62 2HG2 VAL 62 4.165 -0.652 3.466 484 3HG2 VAL 62 3HG2 VAL 62 4.882 0.361 4.727 485 H SER 63 H SER 63 5.817 2.901 4.059 486 HA SER 63 HA SER 63 6.629 2.500 6.850 487 1HB SER 63 2HB SER 63 6.990 5.178 5.431 488 2HB SER 63 3HB SER 63 7.150 4.898 7.176 489 HG SER 63 HG SER 63 8.655 3.096 5.881 490 H TYR 64 H TYR 64 4.975 2.985 8.202 491 HA TYR 64 HA TYR 64 2.321 3.228 7.024 492 1HB TYR 64 2HB TYR 64 2.704 1.568 8.690 493 2HB TYR 64 3HB TYR 64 3.457 2.717 9.789 494 HD1 TYR 64 HD1 TYR 64 0.213 1.534 8.419 495 HD2 TYR 64 HD2 TYR 64 2.168 4.186 11.204 496 HE1 TYR 64 HE1 TYR 64 -1.948 1.931 9.568 497 HE2 TYR 64 HE2 TYR 64 -0.004 4.625 12.306 498 HH TYR 64 HH TYR 64 -2.564 4.548 11.228 499 H LEU 65 H LEU 65 1.151 5.067 6.912 500 HA LEU 65 HA LEU 65 1.737 7.380 8.658 501 1HB LEU 65 2HB LEU 65 0.951 7.230 5.797 502 2HB LEU 65 3HB LEU 65 0.541 8.637 6.827 503 HG LEU 65 HG LEU 65 3.209 8.314 7.389 504 1HD1 LEU 65 1HD1 LEU 65 2.910 7.425 4.511 505 2HD1 LEU 65 2HD1 LEU 65 4.428 7.747 5.392 506 3HD1 LEU 65 3HD1 LEU 65 3.414 6.378 5.859 507 1HD2 LEU 65 1HD2 LEU 65 1.995 9.678 4.965 508 2HD2 LEU 65 2HD2 LEU 65 2.128 10.360 6.608 509 3HD2 LEU 65 3HD2 LEU 65 3.600 10.041 5.654 510 H GLY 66 H GLY 66 -1.018 8.533 8.322 511 1HA GLY 66 2HA GLY 66 -1.271 7.360 10.982 512 2HA GLY 66 3HA GLY 66 -2.011 8.828 10.357 513 H LEU 67 H LEU 67 -4.187 8.774 9.907 514 HA LEU 67 HA LEU 67 -5.546 6.385 9.160 515 1HB LEU 67 2HB LEU 67 -5.498 6.119 11.640 516 2HB LEU 67 3HB LEU 67 -6.126 7.758 11.829 517 HG LEU 67 HG LEU 67 -8.215 7.067 10.601 518 1HD1 LEU 67 1HD1 LEU 67 -7.193 4.959 9.529 519 2HD1 LEU 67 2HD1 LEU 67 -7.259 4.252 11.152 520 3HD1 LEU 67 3HD1 LEU 67 -8.750 4.746 10.315 521 1HD2 LEU 67 1HD2 LEU 67 -9.258 5.848 12.415 522 2HD2 LEU 67 2HD2 LEU 67 -7.666 5.538 13.151 523 3HD2 LEU 67 3HD2 LEU 67 -8.277 7.205 13.014 524 H GLU 68 H GLU 68 -7.542 6.991 8.139 525 HA GLU 68 HA GLU 68 -8.934 9.185 9.203 526 1HB GLU 68 2HB GLU 68 -7.566 10.229 7.183 527 2HB GLU 68 3HB GLU 68 -8.739 9.360 6.191 528 1HG GLU 68 2HG GLU 68 -10.548 10.565 7.639 529 2HG GLU 68 3HG GLU 68 -9.218 11.554 8.250 Start of MODEL 28 1 1H MET 1 H1 MET 1 -15.915 2.684 7.179 2 2H MET 1 H2 MET 1 -16.071 1.158 6.528 3 3H MET 1 H3 MET 1 -14.892 1.460 7.588 4 HA MET 1 HA MET 1 -14.123 1.300 5.344 5 1HB MET 1 2HB MET 1 -14.654 3.229 3.811 6 2HB MET 1 3HB MET 1 -15.955 2.083 4.121 7 1HG MET 1 2HG MET 1 -17.047 3.649 5.650 8 2HG MET 1 3HG MET 1 -15.709 4.800 5.481 9 1HE MET 1 1HE MET 1 -18.652 6.636 3.755 10 2HE MET 1 2HE MET 1 -18.735 5.584 5.187 11 3HE MET 1 3HE MET 1 -17.379 6.725 4.995 12 HA PRO 2 HA PRO 2 -11.582 4.323 7.829 13 1HB PRO 2 2HB PRO 2 -9.669 2.722 8.813 14 2HB PRO 2 3HB PRO 2 -11.305 2.742 9.548 15 1HG PRO 2 2HG PRO 2 -10.198 0.789 7.510 16 2HG PRO 2 3HG PRO 2 -11.047 0.387 9.026 17 1HD PRO 2 2HD PRO 2 -12.254 0.511 6.549 18 2HD PRO 2 3HD PRO 2 -13.107 0.923 8.076 19 H LYS 3 H LYS 3 -9.639 5.273 7.186 20 HA LYS 3 HA LYS 3 -8.367 4.145 4.745 21 1HB LYS 3 2HB LYS 3 -7.404 6.431 4.448 22 2HB LYS 3 3HB LYS 3 -9.134 6.260 4.123 23 1HG LYS 3 2HG LYS 3 -9.776 7.297 6.145 24 2HG LYS 3 3HG LYS 3 -8.172 7.126 6.846 25 1HD LYS 3 2HD LYS 3 -8.764 8.935 4.459 26 2HD LYS 3 3HD LYS 3 -8.802 9.454 6.149 27 1HE LYS 3 2HE LYS 3 -6.365 8.398 6.269 28 2HE LYS 3 3HE LYS 3 -6.400 8.557 4.510 29 1HZ LYS 3 1HZ LYS 3 -6.814 10.740 6.459 30 2HZ LYS 3 2HZ LYS 3 -5.406 10.415 5.652 31 3HZ LYS 3 3HZ LYS 3 -6.739 10.923 4.828 32 H HIS 4 H HIS 4 -6.182 3.925 4.690 33 HA HIS 4 HA HIS 4 -4.575 4.192 7.180 34 1HB HIS 4 2HB HIS 4 -4.763 1.724 5.403 35 2HB HIS 4 3HB HIS 4 -3.752 1.919 6.848 36 HD1 HIS 4 1HD HIS 4 -6.815 0.255 5.911 37 HD2 HIS 4 2HD HIS 4 -5.516 2.611 9.140 38 HE1 HIS 4 1HE HIS 4 -8.288 -0.352 7.895 39 H GLU 5 H GLU 5 -3.065 5.672 6.450 40 HA GLU 5 HA GLU 5 -2.328 5.597 3.592 41 1HB GLU 5 2HB GLU 5 -1.757 7.690 5.691 42 2HB GLU 5 3HB GLU 5 -1.394 7.802 3.966 43 1HG GLU 5 2HG GLU 5 -3.912 7.377 3.582 44 2HG GLU 5 3HG GLU 5 -4.121 7.575 5.324 45 H PHE 6 H PHE 6 -0.278 5.253 2.751 46 HA PHE 6 HA PHE 6 1.934 4.689 4.639 47 1HB PHE 6 2HB PHE 6 1.089 2.884 2.347 48 2HB PHE 6 3HB PHE 6 2.527 2.681 3.342 49 HD1 PHE 6 1HD PHE 6 -1.218 2.609 3.408 50 HD2 PHE 6 2HD PHE 6 2.427 1.463 5.423 51 HE1 PHE 6 1HE PHE 6 -2.505 1.183 4.946 52 HE2 PHE 6 2HE PHE 6 1.147 -0.023 6.884 53 HZ PHE 6 HZ PHE 6 -1.344 -0.153 6.692 54 H SER 7 H SER 7 3.940 5.126 3.822 55 HA SER 7 HA SER 7 4.082 6.113 1.007 56 1HB SER 7 2HB SER 7 4.740 7.847 2.523 57 2HB SER 7 3HB SER 7 5.964 6.808 3.255 58 HG SER 7 HG SER 7 5.892 7.377 0.438 59 H VAL 8 H VAL 8 6.027 5.286 -0.129 60 HA VAL 8 HA VAL 8 6.886 2.568 0.605 61 HB VAL 8 HB VAL 8 4.887 3.251 -1.612 62 1HG1 VAL 8 1HG1 VAL 8 6.350 1.737 -2.662 63 2HG1 VAL 8 2HG1 VAL 8 6.425 0.666 -1.229 64 3HG1 VAL 8 3HG1 VAL 8 4.936 0.840 -2.188 65 1HG2 VAL 8 1HG2 VAL 8 3.741 2.789 0.488 66 2HG2 VAL 8 2HG2 VAL 8 3.612 1.328 -0.483 67 3HG2 VAL 8 3HG2 VAL 8 4.806 1.398 0.808 68 H ASP 9 H ASP 9 8.230 1.830 -1.559 69 HA ASP 9 HA ASP 9 9.118 4.292 -2.978 70 1HB ASP 9 2HB ASP 9 11.172 3.391 -2.177 71 2HB ASP 9 3HB ASP 9 10.756 1.774 -2.789 72 H MET 10 H MET 10 8.160 4.407 -4.898 73 HA MET 10 HA MET 10 8.210 1.976 -6.530 74 1HB MET 10 2HB MET 10 6.077 4.120 -6.898 75 2HB MET 10 3HB MET 10 6.217 2.571 -7.744 76 1HG MET 10 2HG MET 10 4.471 2.295 -6.241 77 2HG MET 10 3HG MET 10 5.799 1.536 -5.362 78 1HE MET 10 1HE MET 10 3.458 1.972 -3.696 79 2HE MET 10 2HE MET 10 3.084 3.620 -3.148 80 3HE MET 10 3HE MET 10 2.734 3.157 -4.822 81 H THR 11 H THR 11 10.456 2.982 -6.746 82 HA THR 11 HA THR 11 10.515 5.521 -8.051 83 HB THR 11 HB THR 11 12.351 4.147 -6.664 84 HG1 THR 11 1HG THR 11 12.993 6.070 -8.609 85 1HG2 THR 11 1HG2 THR 11 13.421 3.914 -9.493 86 2HG2 THR 11 2HG2 THR 11 14.241 3.536 -7.971 87 3HG2 THR 11 3HG2 THR 11 12.859 2.555 -8.492 88 H CYS 12 HN CYS 12 9.615 2.564 -9.463 89 HA CYS 12 HA CYS 12 9.464 3.967 -11.974 90 1HB CYS 12 2HB CYS 12 10.315 1.973 -13.264 91 2HB CYS 12 3HB CYS 12 11.540 2.954 -12.465 92 H GLY 13 H GLY 13 7.928 3.042 -13.341 93 1HA GLY 13 2HA GLY 13 5.464 2.725 -12.425 94 2HA GLY 13 3HA GLY 13 5.990 1.943 -13.908 95 H GLY 14 H GLY 14 7.548 -0.099 -13.148 96 1HA GLY 14 2HA GLY 14 5.640 -2.061 -12.710 97 2HA GLY 14 3HA GLY 14 7.402 -2.308 -12.580 98 H CYS 15 HN CYS 15 7.553 -0.324 -10.243 99 HA CYS 15 HA CYS 15 7.107 -2.237 -8.131 100 1HB CYS 15 2HB CYS 15 7.537 0.740 -8.141 101 2HB CYS 15 3HB CYS 15 7.523 -0.276 -6.678 102 H ALA 16 H ALA 16 5.146 0.426 -9.533 103 HA ALA 16 HA ALA 16 3.174 0.416 -7.405 104 1HB ALA 16 1HB ALA 16 2.913 1.334 -10.298 105 2HB ALA 16 2HB ALA 16 1.799 1.680 -8.964 106 3HB ALA 16 3HB ALA 16 3.456 2.316 -8.914 107 H GLU 17 H GLU 17 3.525 -1.217 -10.596 108 HA GLU 17 HA GLU 17 1.144 -2.703 -10.536 109 1HB GLU 17 2HB GLU 17 2.979 -2.579 -12.403 110 2HB GLU 17 3HB GLU 17 3.758 -3.902 -11.521 111 1HG GLU 17 2HG GLU 17 1.348 -5.002 -11.602 112 2HG GLU 17 3HG GLU 17 1.069 -3.799 -12.870 113 H ALA 18 H ALA 18 4.382 -3.527 -9.177 114 HA ALA 18 HA ALA 18 3.696 -6.034 -8.053 115 1HB ALA 18 1HB ALA 18 5.710 -4.011 -6.990 116 2HB ALA 18 2HB ALA 18 5.666 -5.746 -6.646 117 3HB ALA 18 3HB ALA 18 6.027 -5.180 -8.293 118 H VAL 19 H VAL 19 3.660 -2.783 -6.450 119 HA VAL 19 HA VAL 19 2.726 -3.606 -3.959 120 HB VAL 19 HB VAL 19 2.275 -1.094 -5.637 121 1HG1 VAL 19 1HG1 VAL 19 0.459 -1.163 -4.084 122 2HG1 VAL 19 2HG1 VAL 19 1.539 -1.764 -2.793 123 3HG1 VAL 19 3HG1 VAL 19 1.682 -0.080 -3.406 124 1HG2 VAL 19 1HG2 VAL 19 4.658 -1.796 -4.683 125 2HG2 VAL 19 2HG2 VAL 19 4.067 -0.138 -4.510 126 3HG2 VAL 19 3HG2 VAL 19 3.961 -1.256 -3.149 127 H SER 20 H SER 20 0.923 -2.641 -6.886 128 HA SER 20 HA SER 20 -1.643 -2.874 -5.768 129 1HB SER 20 2HB SER 20 -0.899 -1.813 -7.969 130 2HB SER 20 3HB SER 20 -0.849 -3.407 -8.690 131 HG SER 20 HG SER 20 -3.200 -2.551 -7.373 132 H ARG 21 H ARG 21 0.189 -5.200 -7.694 133 HA ARG 21 HA ARG 21 -1.545 -7.394 -7.569 134 1HB ARG 21 2HB ARG 21 0.052 -8.245 -8.775 135 2HB ARG 21 3HB ARG 21 1.075 -6.870 -8.492 136 1HG ARG 21 2HG ARG 21 2.129 -7.976 -6.551 137 2HG ARG 21 3HG ARG 21 1.108 -9.366 -6.771 138 1HD ARG 21 2HD ARG 21 3.537 -8.449 -8.261 139 2HD ARG 21 3HD ARG 21 3.009 -10.068 -7.892 140 HE ARG 21 HE ARG 21 1.667 -10.155 -9.827 141 1HH1 ARG 21 2HH2 ARG 21 3.373 -6.984 -9.673 142 2HH1 ARG 21 1HH2 ARG 21 3.098 -6.727 -11.394 143 1HH2 ARG 21 2HH1 ARG 21 1.384 -9.581 -12.139 144 2HH2 ARG 21 1HH1 ARG 21 2.064 -8.024 -12.630 145 H VAL 22 H VAL 22 0.853 -6.313 -5.169 146 HA VAL 22 HA VAL 22 0.715 -8.579 -3.447 147 HB VAL 22 HB VAL 22 1.961 -5.899 -3.614 148 1HG1 VAL 22 1HG1 VAL 22 1.171 -6.848 -0.885 149 2HG1 VAL 22 2HG1 VAL 22 2.560 -5.784 -1.213 150 3HG1 VAL 22 3HG1 VAL 22 0.939 -5.270 -1.691 151 1HG2 VAL 22 1HG2 VAL 22 3.129 -7.891 -4.133 152 2HG2 VAL 22 2HG2 VAL 22 3.868 -6.974 -2.806 153 3HG2 VAL 22 3HG2 VAL 22 2.939 -8.471 -2.461 154 H LEU 23 H LEU 23 -0.815 -5.361 -3.390 155 HA LEU 23 HA LEU 23 -2.296 -5.866 -1.004 156 1HB LEU 23 2HB LEU 23 -2.043 -3.713 -2.961 157 2HB LEU 23 3HB LEU 23 -3.671 -3.823 -2.408 158 HG LEU 23 HG LEU 23 -1.213 -3.828 -0.585 159 1HD1 LEU 23 1HD1 LEU 23 -1.620 -1.437 -0.273 160 2HD1 LEU 23 2HD1 LEU 23 -1.323 -1.762 -1.981 161 3HD1 LEU 23 3HD1 LEU 23 -2.983 -1.486 -1.409 162 1HD2 LEU 23 1HD2 LEU 23 -3.489 -4.686 0.349 163 2HD2 LEU 23 2HD2 LEU 23 -2.804 -3.279 1.174 164 3HD2 LEU 23 3HD2 LEU 23 -4.092 -3.068 -0.036 165 H ASN 24 H ASN 24 -3.083 -6.171 -4.524 166 HA ASN 24 HA ASN 24 -5.794 -6.926 -4.178 167 1HB ASN 24 2HB ASN 24 -5.000 -6.342 -6.377 168 2HB ASN 24 3HB ASN 24 -3.799 -7.645 -6.345 169 1HD2 ASN 24 1HD2 ASN 24 -7.316 -7.840 -5.271 170 2HD2 ASN 24 2HD2 ASN 24 -7.604 -9.135 -6.403 171 H LYS 25 H LYS 25 -2.793 -8.894 -4.057 172 HA LYS 25 HA LYS 25 -4.020 -11.368 -3.651 173 1HB LYS 25 2HB LYS 25 -1.389 -10.313 -3.390 174 2HB LYS 25 3HB LYS 25 -1.730 -11.140 -1.875 175 1HG LYS 25 2HG LYS 25 -2.474 -13.153 -3.156 176 2HG LYS 25 3HG LYS 25 -2.103 -12.306 -4.673 177 1HD LYS 25 2HD LYS 25 0.279 -12.144 -4.009 178 2HD LYS 25 3HD LYS 25 -0.087 -12.997 -2.490 179 1HE LYS 25 2HE LYS 25 -0.901 -14.970 -3.803 180 2HE LYS 25 3HE LYS 25 -0.520 -14.123 -5.310 181 1HZ LYS 25 1HZ LYS 25 1.188 -15.664 -4.707 182 2HZ LYS 25 2HZ LYS 25 1.795 -14.140 -4.657 183 3HZ LYS 25 3HZ LYS 25 1.436 -14.935 -3.259 184 H LEU 26 H LEU 26 -3.909 -8.714 -1.329 185 HA LEU 26 HA LEU 26 -4.977 -10.274 0.910 186 1HB LEU 26 2HB LEU 26 -3.874 -8.311 1.445 187 2HB LEU 26 3HB LEU 26 -4.742 -7.311 0.310 188 HG LEU 26 HG LEU 26 -5.329 -6.613 2.331 189 1HD1 LEU 26 1HD1 LEU 26 -7.253 -6.834 0.679 190 2HD1 LEU 26 2HD1 LEU 26 -7.809 -8.229 1.632 191 3HD1 LEU 26 3HD1 LEU 26 -7.677 -6.652 2.391 192 1HD2 LEU 26 1HD2 LEU 26 -6.200 -9.452 3.030 193 2HD2 LEU 26 2HD2 LEU 26 -4.765 -8.604 3.659 194 3HD2 LEU 26 3HD2 LEU 26 -6.401 -7.998 4.043 195 H GLY 27 H GLY 27 -6.340 -8.106 -1.618 196 1HA GLY 27 2HA GLY 27 -8.097 -9.709 -2.732 197 2HA GLY 27 3HA GLY 27 -9.024 -9.367 -1.281 198 H GLY 28 H GLY 28 -9.923 -7.379 -0.934 199 1HA GLY 28 2HA GLY 28 -10.648 -6.058 -3.471 200 2HA GLY 28 3HA GLY 28 -11.598 -6.182 -1.991 201 H VAL 29 H VAL 29 -8.837 -5.257 -0.715 202 HA VAL 29 HA VAL 29 -9.034 -2.692 0.044 203 HB VAL 29 HB VAL 29 -6.469 -2.617 -0.409 204 1HG1 VAL 29 1HG1 VAL 29 -6.966 -3.210 1.773 205 2HG1 VAL 29 2HG1 VAL 29 -7.875 -4.659 1.309 206 3HG1 VAL 29 3HG1 VAL 29 -6.104 -4.644 1.241 207 1HG2 VAL 29 1HG2 VAL 29 -6.902 -5.548 -1.161 208 2HG2 VAL 29 2HG2 VAL 29 -6.496 -4.283 -2.324 209 3HG2 VAL 29 3HG2 VAL 29 -5.386 -4.673 -1.017 210 H LYS 30 H LYS 30 -9.027 -0.588 -0.828 211 HA LYS 30 HA LYS 30 -8.292 -0.288 -3.708 212 1HB LYS 30 2HB LYS 30 -10.690 0.823 -2.214 213 2HB LYS 30 3HB LYS 30 -10.022 1.647 -3.625 214 1HG LYS 30 2HG LYS 30 -10.947 -1.253 -3.628 215 2HG LYS 30 3HG LYS 30 -11.933 0.118 -4.124 216 1HD LYS 30 2HD LYS 30 -11.120 -0.012 -6.190 217 2HD LYS 30 3HD LYS 30 -9.513 0.438 -5.603 218 1HE LYS 30 2HE LYS 30 -8.915 -1.914 -5.266 219 2HE LYS 30 3HE LYS 30 -10.566 -2.440 -5.629 220 1HZ LYS 30 1HZ LYS 30 -10.241 -1.638 -7.868 221 2HZ LYS 30 2HZ LYS 30 -8.708 -1.143 -7.512 222 3HZ LYS 30 3HZ LYS 30 -9.090 -2.741 -7.466 223 H TYR 31 H TYR 31 -7.069 1.562 -4.152 224 HA TYR 31 HA TYR 31 -6.205 3.133 -1.880 225 1HB TYR 31 2HB TYR 31 -3.812 2.242 -2.240 226 2HB TYR 31 3HB TYR 31 -4.944 1.267 -1.319 227 HD1 TYR 31 HD1 TYR 31 -5.963 -0.808 -2.171 228 HD2 TYR 31 HD2 TYR 31 -2.730 1.211 -4.132 229 HE1 TYR 31 HE1 TYR 31 -5.757 -2.695 -3.763 230 HE2 TYR 31 HE2 TYR 31 -2.473 -0.701 -5.689 231 HH TYR 31 HH TYR 31 -4.551 -3.592 -5.526 232 H ASP 32 H ASP 32 -5.095 4.895 -2.332 233 HA ASP 32 HA ASP 32 -5.046 5.829 -5.146 234 1HB ASP 32 2HB ASP 32 -6.089 7.335 -3.524 235 2HB ASP 32 3HB ASP 32 -4.695 7.178 -2.453 236 H ILE 33 H ILE 33 -3.146 5.785 -6.223 237 HA ILE 33 HA ILE 33 -0.708 4.794 -4.826 238 HB ILE 33 HB ILE 33 -1.927 4.364 -7.583 239 1HG1 ILE 33 2HG1 ILE 33 -1.286 2.216 -5.554 240 2HG1 ILE 33 3HG1 ILE 33 -2.810 3.116 -5.443 241 1HG2 ILE 33 1HG2 ILE 33 0.704 3.336 -6.459 242 2HG2 ILE 33 2HG2 ILE 33 -0.074 2.741 -7.946 243 3HG2 ILE 33 3HG2 ILE 33 0.476 4.417 -7.855 244 1HD1 ILE 33 1HD1 ILE 33 -1.978 1.334 -7.737 245 2HD1 ILE 33 2HD1 ILE 33 -3.430 1.246 -6.716 246 3HD1 ILE 33 3HD1 ILE 33 -3.279 2.545 -7.878 247 H ASP 34 H ASP 34 0.942 6.297 -4.860 248 HA ASP 34 HA ASP 34 1.053 8.160 -7.237 249 1HB ASP 34 2HB ASP 34 0.632 9.258 -4.969 250 2HB ASP 34 3HB ASP 34 2.325 8.792 -4.599 251 H LEU 35 H LEU 35 2.770 7.999 -8.444 252 HA LEU 35 HA LEU 35 5.003 6.188 -7.807 253 1HB LEU 35 2HB LEU 35 4.034 7.589 -10.300 254 2HB LEU 35 3HB LEU 35 5.728 7.130 -10.169 255 HG LEU 35 HG LEU 35 4.205 5.562 -11.414 256 1HD1 LEU 35 1HD1 LEU 35 6.336 4.703 -10.740 257 2HD1 LEU 35 2HD1 LEU 35 5.785 4.459 -9.081 258 3HD1 LEU 35 3HD1 LEU 35 5.136 3.450 -10.374 259 1HD2 LEU 35 1HD2 LEU 35 2.733 4.075 -10.271 260 2HD2 LEU 35 2HD2 LEU 35 3.173 4.739 -8.680 261 3HD2 LEU 35 3HD2 LEU 35 2.263 5.728 -9.850 262 HA PRO 36 HA PRO 36 7.636 10.095 -8.364 263 1HB PRO 36 2HB PRO 36 6.439 12.613 -8.266 264 2HB PRO 36 3HB PRO 36 6.883 11.722 -9.748 265 1HG PRO 36 2HG PRO 36 4.192 11.804 -8.370 266 2HG PRO 36 3HG PRO 36 4.538 12.014 -10.111 267 1HD PRO 36 2HD PRO 36 3.700 9.652 -9.205 268 2HD PRO 36 3HD PRO 36 5.061 9.695 -10.361 269 H ASN 37 H ASN 37 4.768 10.330 -6.272 270 HA ASN 37 HA ASN 37 6.487 11.375 -4.032 271 1HB ASN 37 2HB ASN 37 3.472 11.054 -4.070 272 2HB ASN 37 3HB ASN 37 4.450 11.760 -2.806 273 1HD2 ASN 37 1HD2 ASN 37 2.676 12.532 -5.636 274 2HD2 ASN 37 2HD2 ASN 37 3.314 14.164 -5.827 275 H LYS 38 H LYS 38 5.974 8.452 -5.311 276 HA LYS 38 HA LYS 38 5.684 6.343 -4.604 277 1HB LYS 38 2HB LYS 38 7.839 7.289 -2.678 278 2HB LYS 38 3HB LYS 38 7.405 5.645 -3.166 279 1HG LYS 38 2HG LYS 38 9.197 5.938 -4.428 280 2HG LYS 38 3HG LYS 38 7.920 6.360 -5.589 281 1HD LYS 38 2HD LYS 38 8.481 8.733 -5.238 282 2HD LYS 38 3HD LYS 38 9.663 8.317 -3.992 283 1HE LYS 38 2HE LYS 38 9.746 7.393 -6.911 284 2HE LYS 38 3HE LYS 38 10.678 8.748 -6.273 285 1HZ LYS 38 1HZ LYS 38 11.034 5.946 -5.302 286 2HZ LYS 38 2HZ LYS 38 11.962 6.655 -6.431 287 3HZ LYS 38 3HZ LYS 38 11.914 7.249 -4.898 288 H LYS 39 H LYS 39 3.349 6.577 -3.696 289 HA LYS 39 HA LYS 39 3.377 5.692 -0.934 290 1HB LYS 39 2HB LYS 39 2.010 7.476 -0.209 291 2HB LYS 39 3HB LYS 39 3.429 8.243 -0.884 292 1HG LYS 39 2HG LYS 39 2.140 9.379 -2.365 293 2HG LYS 39 3HG LYS 39 1.402 7.876 -2.935 294 1HD LYS 39 2HD LYS 39 -0.108 7.919 -0.902 295 2HD LYS 39 3HD LYS 39 0.470 9.575 -0.601 296 1HE LYS 39 2HE LYS 39 -0.337 10.175 -2.948 297 2HE LYS 39 3HE LYS 39 -0.944 8.516 -3.110 298 1HZ LYS 39 1HZ LYS 39 -2.319 8.991 -1.113 299 2HZ LYS 39 2HZ LYS 39 -1.934 10.580 -1.274 300 3HZ LYS 39 3HZ LYS 39 -2.731 9.784 -2.480 301 H VAL 40 H VAL 40 1.264 5.145 -0.108 302 HA VAL 40 HA VAL 40 -0.740 4.359 -2.128 303 HB VAL 40 HB VAL 40 0.281 2.580 0.109 304 1HG1 VAL 40 1HG1 VAL 40 -1.053 0.880 -1.011 305 2HG1 VAL 40 2HG1 VAL 40 -2.053 2.328 -0.748 306 3HG1 VAL 40 3HG1 VAL 40 -1.387 1.996 -2.359 307 1HG2 VAL 40 1HG2 VAL 40 1.329 1.173 -1.560 308 2HG2 VAL 40 2HG2 VAL 40 1.022 2.420 -2.805 309 3HG2 VAL 40 3HG2 VAL 40 2.100 2.751 -1.406 310 H CYS 41 H CYS 41 -2.566 5.524 -1.314 311 HA CYS 41 HA CYS 41 -2.951 5.479 1.663 312 1HB CYS 41 2HB CYS 41 -4.214 7.306 -0.359 313 2HB CYS 41 3HB CYS 41 -4.545 7.249 1.353 314 HG CYS 41 HG CYS 41 -3.045 9.091 1.658 315 H ILE 42 H ILE 42 -4.074 3.752 2.266 316 HA ILE 42 HA ILE 42 -5.782 2.538 0.213 317 HB ILE 42 HB ILE 42 -4.943 1.353 2.893 318 1HG1 ILE 42 2HG1 ILE 42 -3.472 1.048 0.259 319 2HG1 ILE 42 3HG1 ILE 42 -2.894 1.962 1.668 320 1HG2 ILE 42 1HG2 ILE 42 -5.971 0.131 0.283 321 2HG2 ILE 42 2HG2 ILE 42 -5.392 -0.826 1.633 322 3HG2 ILE 42 3HG2 ILE 42 -6.807 0.196 1.841 323 1HD1 ILE 42 1HD1 ILE 42 -2.686 -0.096 2.962 324 2HD1 ILE 42 2HD1 ILE 42 -3.205 -1.035 1.539 325 3HD1 ILE 42 3HD1 ILE 42 -1.719 -0.098 1.515 326 H GLU 43 H GLU 43 -7.990 2.088 0.583 327 HA GLU 43 HA GLU 43 -9.082 2.760 3.251 328 1HB GLU 43 2HB GLU 43 -9.944 4.343 1.470 329 2HB GLU 43 3HB GLU 43 -10.700 2.940 0.687 330 1HG GLU 43 2HG GLU 43 -11.186 3.788 3.597 331 2HG GLU 43 3HG GLU 43 -12.217 4.252 2.237 332 H SER 44 H SER 44 -9.923 0.965 4.189 333 HA SER 44 HA SER 44 -10.867 -1.274 2.702 334 1HB SER 44 2HB SER 44 -8.457 -1.612 2.264 335 2HB SER 44 3HB SER 44 -8.138 -1.609 4.008 336 HG SER 44 HG SER 44 -9.376 -3.499 4.172 337 H GLU 45 H GLU 45 -12.414 -2.136 4.054 338 HA GLU 45 HA GLU 45 -12.155 -1.994 6.972 339 1HB GLU 45 2HB GLU 45 -14.171 -3.469 5.224 340 2HB GLU 45 3HB GLU 45 -14.226 -3.296 6.983 341 1HG GLU 45 2HG GLU 45 -14.150 -0.796 6.677 342 2HG GLU 45 3HG GLU 45 -14.366 -1.040 4.929 343 H HIS 46 H HIS 46 -9.897 -2.880 6.551 344 HA HIS 46 HA HIS 46 -9.919 -5.576 7.670 345 1HB HIS 46 2HB HIS 46 -8.136 -4.753 5.328 346 2HB HIS 46 3HB HIS 46 -7.723 -6.035 6.454 347 HD1 HIS 46 1HD HIS 46 -8.343 -8.360 5.667 348 HD2 HIS 46 2HD HIS 46 -10.517 -5.283 3.800 349 HE1 HIS 46 1HE HIS 46 -9.532 -9.401 3.674 350 H SER 47 H SER 47 -8.001 -5.651 9.216 351 HA SER 47 HA SER 47 -7.816 -3.109 10.446 352 1HB SER 47 2HB SER 47 -6.255 -4.183 12.009 353 2HB SER 47 3HB SER 47 -7.686 -5.169 11.723 354 HG SER 47 HG SER 47 -5.692 -6.364 11.645 355 H MET 48 H MET 48 -6.011 -1.730 10.839 356 HA MET 48 HA MET 48 -4.314 -1.255 8.649 357 1HB MET 48 2HB MET 48 -3.237 0.392 9.839 358 2HB MET 48 3HB MET 48 -4.903 0.369 10.437 359 1HG MET 48 2HG MET 48 -4.045 -1.142 12.294 360 2HG MET 48 3HG MET 48 -2.405 -0.671 11.788 361 1HE MET 48 1HE MET 48 -1.690 0.284 14.084 362 2HE MET 48 2HE MET 48 -2.698 1.380 15.058 363 3HE MET 48 3HE MET 48 -3.245 -0.285 14.746 364 H ASP 49 H ASP 49 -3.951 -3.397 11.426 365 HA ASP 49 HA ASP 49 -1.228 -4.175 11.088 366 1HB ASP 49 2HB ASP 49 -2.360 -4.806 13.090 367 2HB ASP 49 3HB ASP 49 -3.678 -5.589 12.199 368 H THR 50 H THR 50 -4.263 -5.744 9.849 369 HA THR 50 HA THR 50 -3.022 -7.661 8.229 370 HB THR 50 HB THR 50 -5.628 -6.159 7.698 371 HG1 THR 50 1HG THR 50 -5.637 -7.184 9.696 372 1HG2 THR 50 1HG2 THR 50 -4.917 -7.418 5.726 373 2HG2 THR 50 2HG2 THR 50 -4.608 -8.861 6.724 374 3HG2 THR 50 3HG2 THR 50 -6.265 -8.256 6.524 375 H LEU 51 H LEU 51 -3.921 -4.289 7.450 376 HA LEU 51 HA LEU 51 -3.065 -4.238 4.733 377 1HB LEU 51 2HB LEU 51 -3.198 -2.103 6.886 378 2HB LEU 51 3HB LEU 51 -2.676 -1.769 5.255 379 HG LEU 51 HG LEU 51 -5.266 -1.639 6.253 380 1HD1 LEU 51 1HD1 LEU 51 -4.315 -0.372 4.391 381 2HD1 LEU 51 2HD1 LEU 51 -4.273 -1.842 3.390 382 3HD1 LEU 51 3HD1 LEU 51 -5.830 -1.127 3.889 383 1HD2 LEU 51 1HD2 LEU 51 -6.639 -3.122 4.920 384 2HD2 LEU 51 2HD2 LEU 51 -5.236 -4.008 4.323 385 3HD2 LEU 51 3HD2 LEU 51 -5.691 -4.082 6.044 386 H LEU 52 H LEU 52 -1.264 -3.165 7.667 387 HA LEU 52 HA LEU 52 1.225 -2.641 6.571 388 1HB LEU 52 2HB LEU 52 0.236 -3.517 9.236 389 2HB LEU 52 3HB LEU 52 1.855 -4.045 8.846 390 HG LEU 52 HG LEU 52 2.274 -1.523 8.194 391 1HD1 LEU 52 1HD1 LEU 52 0.019 -1.319 10.259 392 2HD1 LEU 52 2HD1 LEU 52 0.967 0.020 9.586 393 3HD1 LEU 52 3HD1 LEU 52 -0.157 -0.889 8.549 394 1HD2 LEU 52 1HD2 LEU 52 2.971 -1.116 10.521 395 2HD2 LEU 52 2HD2 LEU 52 2.048 -2.547 11.039 396 3HD2 LEU 52 3HD2 LEU 52 3.436 -2.726 9.942 397 H ALA 53 H ALA 53 0.032 -5.804 7.774 398 HA ALA 53 HA ALA 53 2.380 -7.304 7.276 399 1HB ALA 53 1HB ALA 53 0.538 -8.049 8.742 400 2HB ALA 53 2HB ALA 53 -0.529 -8.227 7.335 401 3HB ALA 53 3HB ALA 53 0.904 -9.263 7.501 402 H THR 54 H THR 54 -0.543 -6.768 5.254 403 HA THR 54 HA THR 54 0.443 -8.310 3.064 404 HB THR 54 HB THR 54 -1.732 -6.236 3.414 405 HG1 THR 54 1HG THR 54 -2.253 -8.169 4.192 406 1HG2 THR 54 1HG2 THR 54 -0.914 -5.970 1.092 407 2HG2 THR 54 2HG2 THR 54 -1.130 -7.715 0.820 408 3HG2 THR 54 3HG2 THR 54 -2.514 -6.664 1.191 409 H LEU 55 H LEU 55 0.695 -4.788 3.778 410 HA LEU 55 HA LEU 55 1.708 -4.310 1.143 411 1HB LEU 55 2HB LEU 55 0.924 -2.804 3.457 412 2HB LEU 55 3HB LEU 55 2.500 -2.212 2.881 413 HG LEU 55 HG LEU 55 -0.220 -2.198 1.574 414 1HD1 LEU 55 1HD1 LEU 55 0.402 0.266 1.432 415 2HD1 LEU 55 2HD1 LEU 55 0.339 -0.380 3.088 416 3HD1 LEU 55 3HD1 LEU 55 1.897 -0.102 2.280 417 1HD2 LEU 55 1HD2 LEU 55 0.879 -1.102 -0.392 418 2HD2 LEU 55 2HD2 LEU 55 2.446 -1.720 0.195 419 3HD2 LEU 55 3HD2 LEU 55 1.138 -2.839 -0.289 420 H LYS 56 H LYS 56 3.308 -5.098 4.301 421 HA LYS 56 HA LYS 56 5.946 -4.831 3.526 422 1HB LYS 56 2HB LYS 56 4.364 -6.380 5.469 423 2HB LYS 56 3HB LYS 56 5.693 -7.330 4.846 424 1HG LYS 56 2HG LYS 56 6.439 -6.192 6.726 425 2HG LYS 56 3HG LYS 56 7.293 -5.529 5.337 426 1HD LYS 56 2HD LYS 56 6.775 -3.495 6.212 427 2HD LYS 56 3HD LYS 56 5.150 -3.761 5.580 428 1HE LYS 56 2HE LYS 56 6.185 -4.285 8.408 429 2HE LYS 56 3HE LYS 56 4.982 -3.095 7.890 430 1HZ LYS 56 1HZ LYS 56 4.671 -6.024 7.900 431 2HZ LYS 56 2HZ LYS 56 3.849 -4.934 8.816 432 3HZ LYS 56 3HZ LYS 56 3.622 -4.995 7.173 433 H LYS 57 H LYS 57 3.616 -7.067 2.072 434 HA LYS 57 HA LYS 57 5.521 -8.953 1.084 435 1HB LYS 57 2HB LYS 57 2.885 -8.118 -0.126 436 2HB LYS 57 3HB LYS 57 3.791 -9.570 -0.534 437 1HG LYS 57 2HG LYS 57 3.345 -10.617 1.541 438 2HG LYS 57 3HG LYS 57 2.830 -9.115 2.312 439 1HD LYS 57 2HD LYS 57 0.879 -8.974 0.796 440 2HD LYS 57 3HD LYS 57 1.336 -10.492 0.032 441 1HE LYS 57 2HE LYS 57 0.750 -11.791 1.886 442 2HE LYS 57 3HE LYS 57 0.953 -10.483 3.044 443 1HZ LYS 57 1HZ LYS 57 -1.131 -9.535 2.379 444 2HZ LYS 57 2HZ LYS 57 -1.261 -10.556 1.090 445 3HZ LYS 57 3HZ LYS 57 -1.362 -11.126 2.623 446 H THR 58 H THR 58 4.978 -5.603 0.155 447 HA THR 58 HA THR 58 6.213 -5.590 -2.476 448 HB THR 58 HB THR 58 6.915 -3.334 -1.873 449 HG1 THR 58 1HG THR 58 5.681 -3.649 0.636 450 1HG2 THR 58 1HG2 THR 58 4.672 -3.569 -2.704 451 2HG2 THR 58 2HG2 THR 58 4.048 -3.998 -1.102 452 3HG2 THR 58 3HG2 THR 58 4.681 -2.370 -1.381 453 H GLY 59 H GLY 59 7.421 -5.667 0.842 454 1HA GLY 59 2HA GLY 59 9.407 -5.951 1.765 455 2HA GLY 59 3HA GLY 59 9.937 -6.887 0.343 456 H LYS 60 H LYS 60 8.860 -3.464 0.473 457 HA LYS 60 HA LYS 60 11.637 -2.515 -0.103 458 1HB LYS 60 2HB LYS 60 9.044 -1.267 -1.009 459 2HB LYS 60 3HB LYS 60 10.677 -0.834 -1.477 460 1HG LYS 60 2HG LYS 60 10.972 -3.102 -2.579 461 2HG LYS 60 3HG LYS 60 9.271 -3.417 -2.253 462 1HD LYS 60 2HD LYS 60 9.266 -2.685 -4.463 463 2HD LYS 60 3HD LYS 60 8.705 -1.304 -3.520 464 1HE LYS 60 2HE LYS 60 11.243 -0.541 -3.523 465 2HE LYS 60 3HE LYS 60 11.470 -1.730 -4.804 466 1HZ LYS 60 1HZ LYS 60 10.061 -0.428 -6.204 467 2HZ LYS 60 2HZ LYS 60 9.443 0.395 -4.917 468 3HZ LYS 60 3HZ LYS 60 10.947 0.706 -5.377 469 H THR 61 H THR 61 11.277 0.124 0.190 470 HA THR 61 HA THR 61 11.115 0.465 2.930 471 HB THR 61 HB THR 61 11.099 2.616 0.883 472 HG1 THR 61 1HG THR 61 13.312 0.981 1.544 473 1HG2 THR 61 1HG2 THR 61 12.791 3.682 2.361 474 2HG2 THR 61 2HG2 THR 61 11.288 3.361 3.243 475 3HG2 THR 61 3HG2 THR 61 12.695 2.299 3.472 476 H VAL 62 H VAL 62 8.765 -0.427 2.919 477 HA VAL 62 HA VAL 62 6.721 1.643 2.558 478 HB VAL 62 HB VAL 62 6.046 -0.579 2.086 479 1HG1 VAL 62 1HG1 VAL 62 6.528 -1.282 5.009 480 2HG1 VAL 62 2HG1 VAL 62 5.777 -2.304 3.769 481 3HG1 VAL 62 3HG1 VAL 62 7.490 -1.883 3.637 482 1HG2 VAL 62 1HG2 VAL 62 4.699 0.362 4.662 483 2HG2 VAL 62 2HG2 VAL 62 4.398 1.051 3.056 484 3HG2 VAL 62 3HG2 VAL 62 3.997 -0.640 3.387 485 H SER 63 H SER 63 6.049 3.090 4.036 486 HA SER 63 HA SER 63 6.690 2.688 6.911 487 1HB SER 63 2HB SER 63 7.046 5.195 6.984 488 2HB SER 63 3HB SER 63 8.312 4.259 6.159 489 HG SER 63 HG SER 63 7.795 5.992 4.857 490 H TYR 64 H TYR 64 5.036 3.220 8.253 491 HA TYR 64 HA TYR 64 2.360 3.417 7.080 492 1HB TYR 64 2HB TYR 64 2.658 1.817 8.807 493 2HB TYR 64 3HB TYR 64 3.507 2.962 9.840 494 HD1 TYR 64 HD1 TYR 64 2.367 4.497 11.282 495 HD2 TYR 64 HD2 TYR 64 0.127 2.079 8.499 496 HE1 TYR 64 HE1 TYR 64 0.273 5.034 12.491 497 HE2 TYR 64 HE2 TYR 64 -1.946 2.550 9.763 498 HH TYR 64 HH TYR 64 -2.832 3.531 11.648 499 H LEU 65 H LEU 65 1.190 5.212 6.951 500 HA LEU 65 HA LEU 65 1.776 7.599 8.600 501 1HB LEU 65 2HB LEU 65 0.613 7.454 5.823 502 2HB LEU 65 3HB LEU 65 0.484 8.833 6.915 503 HG LEU 65 HG LEU 65 3.141 8.520 7.142 504 1HD1 LEU 65 1HD1 LEU 65 3.289 6.518 5.723 505 2HD1 LEU 65 2HD1 LEU 65 2.543 7.427 4.382 506 3HD1 LEU 65 3HD1 LEU 65 4.147 7.883 5.006 507 1HD2 LEU 65 1HD2 LEU 65 3.372 10.150 5.309 508 2HD2 LEU 65 2HD2 LEU 65 1.704 9.776 4.792 509 3HD2 LEU 65 3HD2 LEU 65 2.004 10.506 6.395 510 H GLY 66 H GLY 66 -0.609 8.744 8.754 511 1HA GLY 66 2HA GLY 66 -1.719 7.353 10.810 512 2HA GLY 66 3HA GLY 66 -2.550 8.651 9.946 513 H LEU 67 H LEU 67 -3.531 6.236 11.285 514 HA LEU 67 HA LEU 67 -5.335 5.089 9.277 515 1HB LEU 67 2HB LEU 67 -4.765 3.689 11.137 516 2HB LEU 67 3HB LEU 67 -5.074 4.960 12.324 517 HG LEU 67 HG LEU 67 -7.312 4.042 10.538 518 1HD1 LEU 67 1HD1 LEU 67 -7.873 2.232 12.125 519 2HD1 LEU 67 2HD1 LEU 67 -6.282 1.948 11.415 520 3HD1 LEU 67 3HD1 LEU 67 -6.404 2.582 13.064 521 1HD2 LEU 67 1HD2 LEU 67 -8.687 4.461 12.572 522 2HD2 LEU 67 2HD2 LEU 67 -7.225 4.859 13.493 523 3HD2 LEU 67 3HD2 LEU 67 -7.773 5.912 12.186 524 H GLU 68 H GLU 68 -7.508 6.040 9.052 525 HA GLU 68 HA GLU 68 -8.425 7.984 10.967 526 1HB GLU 68 2HB GLU 68 -6.962 9.421 9.584 527 2HB GLU 68 3HB GLU 68 -7.791 8.880 8.133 528 1HG GLU 68 2HG GLU 68 -9.869 9.975 8.914 529 2HG GLU 68 3HG GLU 68 -9.050 10.452 10.410 Start of MODEL 29 1 1H MET 1 H1 MET 1 -12.118 7.740 7.946 2 2H MET 1 H2 MET 1 -13.243 8.132 9.134 3 3H MET 1 H3 MET 1 -11.767 7.465 9.500 4 HA MET 1 HA MET 1 -13.137 5.646 9.626 5 1HB MET 1 2HB MET 1 -14.361 6.597 6.979 6 2HB MET 1 3HB MET 1 -14.751 5.084 7.806 7 1HG MET 1 2HG MET 1 -16.482 6.594 8.393 8 2HG MET 1 3HG MET 1 -15.447 6.448 9.817 9 1HE MET 1 1HE MET 1 -16.134 8.536 11.108 10 2HE MET 1 2HE MET 1 -16.507 10.096 10.337 11 3HE MET 1 3HE MET 1 -17.478 8.658 9.943 12 HA PRO 2 HA PRO 2 -9.754 3.893 8.729 13 1HB PRO 2 2HB PRO 2 -10.271 1.522 7.132 14 2HB PRO 2 3HB PRO 2 -9.867 1.689 8.861 15 1HG PRO 2 2HG PRO 2 -12.520 1.500 7.525 16 2HG PRO 2 3HG PRO 2 -12.105 1.075 9.209 17 1HD PRO 2 2HD PRO 2 -13.547 3.273 8.628 18 2HD PRO 2 3HD PRO 2 -12.297 3.345 9.909 19 H LYS 3 H LYS 3 -9.011 5.664 7.543 20 HA LYS 3 HA LYS 3 -8.151 4.995 4.759 21 1HB LYS 3 2HB LYS 3 -8.997 7.390 5.611 22 2HB LYS 3 3HB LYS 3 -7.302 7.513 6.150 23 1HG LYS 3 2HG LYS 3 -6.716 6.689 3.755 24 2HG LYS 3 3HG LYS 3 -8.414 7.075 3.378 25 1HD LYS 3 2HD LYS 3 -7.901 9.419 4.399 26 2HD LYS 3 3HD LYS 3 -6.199 8.964 4.314 27 1HE LYS 3 2HE LYS 3 -8.215 9.270 2.052 28 2HE LYS 3 3HE LYS 3 -6.739 10.215 2.311 29 1HZ LYS 3 1HZ LYS 3 -5.454 8.255 1.699 30 2HZ LYS 3 2HZ LYS 3 -6.820 7.326 1.639 31 3HZ LYS 3 3HZ LYS 3 -6.589 8.508 0.556 32 H HIS 4 H HIS 4 -6.291 3.893 4.610 33 HA HIS 4 HA HIS 4 -4.278 4.051 6.811 34 1HB HIS 4 2HB HIS 4 -4.817 1.789 4.853 35 2HB HIS 4 3HB HIS 4 -3.717 1.780 6.239 36 HD1 HIS 4 1HD HIS 4 -6.756 0.195 5.452 37 HD2 HIS 4 2HD HIS 4 -5.550 2.729 8.583 38 HE1 HIS 4 1HE HIS 4 -8.341 -0.246 7.398 39 H GLU 5 H GLU 5 -2.861 5.598 6.033 40 HA GLU 5 HA GLU 5 -2.103 5.510 3.154 41 1HB GLU 5 2HB GLU 5 -2.845 7.696 4.092 42 2HB GLU 5 3HB GLU 5 -1.449 7.656 5.189 43 1HG GLU 5 2HG GLU 5 0.090 7.593 3.264 44 2HG GLU 5 3HG GLU 5 -1.272 7.456 2.145 45 H PHE 6 H PHE 6 -0.034 5.147 2.502 46 HA PHE 6 HA PHE 6 2.056 4.567 4.513 47 1HB PHE 6 2HB PHE 6 1.461 2.867 2.067 48 2HB PHE 6 3HB PHE 6 2.786 2.623 3.200 49 HD1 PHE 6 1HD PHE 6 2.484 1.121 5.056 50 HD2 PHE 6 2HD PHE 6 -0.977 2.643 2.950 51 HE1 PHE 6 1HE PHE 6 1.048 -0.447 6.251 52 HE2 PHE 6 2HE PHE 6 -2.426 1.213 4.316 53 HZ PHE 6 HZ PHE 6 -1.437 -0.344 5.993 54 H SER 7 H SER 7 3.969 5.380 4.000 55 HA SER 7 HA SER 7 4.418 6.696 1.364 56 1HB SER 7 2HB SER 7 5.044 8.009 3.256 57 2HB SER 7 3HB SER 7 5.994 6.691 3.967 58 HG SER 7 HG SER 7 7.269 8.237 2.768 59 H VAL 8 H VAL 8 5.634 5.566 -0.122 60 HA VAL 8 HA VAL 8 6.866 2.969 0.635 61 HB VAL 8 HB VAL 8 4.724 3.227 -1.519 62 1HG1 VAL 8 1HG1 VAL 8 6.166 0.804 -0.352 63 2HG1 VAL 8 2HG1 VAL 8 4.855 0.745 -1.547 64 3HG1 VAL 8 3HG1 VAL 8 6.401 1.480 -1.977 65 1HG2 VAL 8 1HG2 VAL 8 3.511 3.380 0.543 66 2HG2 VAL 8 2HG2 VAL 8 3.374 1.693 0.033 67 3HG2 VAL 8 3HG2 VAL 8 4.517 2.136 1.307 68 H ASP 9 H ASP 9 8.791 2.908 -0.422 69 HA ASP 9 HA ASP 9 9.690 4.698 -2.344 70 1HB ASP 9 2HB ASP 9 11.261 3.273 -1.182 71 2HB ASP 9 3HB ASP 9 10.522 1.812 -1.875 72 H MET 10 H MET 10 8.947 5.052 -4.219 73 HA MET 10 HA MET 10 8.144 2.911 -6.129 74 1HB MET 10 2HB MET 10 6.937 5.684 -5.844 75 2HB MET 10 3HB MET 10 6.598 4.568 -7.162 76 1HG MET 10 2HG MET 10 6.007 3.769 -4.301 77 2HG MET 10 3HG MET 10 4.914 4.808 -5.210 78 1HE MET 10 1HE MET 10 2.902 1.568 -5.146 79 2HE MET 10 2HE MET 10 3.971 2.184 -3.859 80 3HE MET 10 3HE MET 10 2.959 3.311 -4.792 81 H THR 11 H THR 11 8.980 3.308 -8.219 82 HA THR 11 HA THR 11 10.342 5.841 -8.769 83 HB THR 11 HB THR 11 12.079 4.649 -7.575 84 HG1 THR 11 1HG THR 11 13.639 4.845 -9.200 85 1HG2 THR 11 1HG2 THR 11 11.469 2.296 -8.061 86 2HG2 THR 11 2HG2 THR 11 11.985 2.510 -9.752 87 3HG2 THR 11 3HG2 THR 11 13.157 2.646 -8.433 88 H CYS 12 HN CYS 12 9.609 2.510 -9.958 89 HA CYS 12 HA CYS 12 8.994 3.702 -12.618 90 1HB CYS 12 2HB CYS 12 9.747 1.657 -13.619 91 2HB CYS 12 3HB CYS 12 11.037 2.252 -12.578 92 H GLY 13 H GLY 13 7.284 2.516 -13.716 93 1HA GLY 13 2HA GLY 13 4.863 2.134 -12.445 94 2HA GLY 13 3HA GLY 13 5.352 1.294 -13.929 95 H GLY 14 H GLY 14 7.441 -0.256 -13.013 96 1HA GLY 14 2HA GLY 14 6.476 -2.633 -12.165 97 2HA GLY 14 3HA GLY 14 8.110 -2.048 -11.804 98 H CYS 15 HN CYS 15 7.474 0.059 -9.958 99 HA CYS 15 HA CYS 15 7.217 -1.513 -7.545 100 1HB CYS 15 2HB CYS 15 7.093 1.484 -8.025 101 2HB CYS 15 3HB CYS 15 7.161 0.701 -6.442 102 H ALA 16 H ALA 16 5.031 0.726 -9.290 103 HA ALA 16 HA ALA 16 2.850 0.576 -7.414 104 1HB ALA 16 1HB ALA 16 2.935 1.258 -10.386 105 2HB ALA 16 2HB ALA 16 1.500 1.385 -9.364 106 3HB ALA 16 3HB ALA 16 2.933 2.378 -9.004 107 H GLU 17 H GLU 17 3.563 -1.127 -10.480 108 HA GLU 17 HA GLU 17 1.388 -2.885 -10.593 109 1HB GLU 17 2HB GLU 17 4.303 -3.293 -11.370 110 2HB GLU 17 3HB GLU 17 2.991 -4.360 -11.870 111 1HG GLU 17 2HG GLU 17 1.993 -2.704 -13.240 112 2HG GLU 17 3HG GLU 17 2.889 -1.380 -12.492 113 H ALA 18 H ALA 18 4.584 -3.393 -8.990 114 HA ALA 18 HA ALA 18 4.062 -5.962 -7.951 115 1HB ALA 18 1HB ALA 18 5.842 -3.759 -6.837 116 2HB ALA 18 2HB ALA 18 5.911 -5.475 -6.393 117 3HB ALA 18 3HB ALA 18 6.308 -4.972 -8.049 118 H VAL 19 H VAL 19 3.679 -2.737 -6.307 119 HA VAL 19 HA VAL 19 2.767 -3.809 -3.869 120 HB VAL 19 HB VAL 19 2.281 -1.134 -5.265 121 1HG1 VAL 19 1HG1 VAL 19 0.594 -1.417 -3.593 122 2HG1 VAL 19 2HG1 VAL 19 1.761 -2.176 -2.479 123 3HG1 VAL 19 3HG1 VAL 19 1.863 -0.428 -2.843 124 1HG2 VAL 19 1HG2 VAL 19 4.736 -1.872 -4.579 125 2HG2 VAL 19 2HG2 VAL 19 4.133 -0.286 -4.085 126 3HG2 VAL 19 3HG2 VAL 19 4.154 -1.615 -2.935 127 H SER 20 H SER 20 1.009 -2.626 -6.723 128 HA SER 20 HA SER 20 -1.651 -3.000 -5.837 129 1HB SER 20 2HB SER 20 -0.743 -1.903 -7.997 130 2HB SER 20 3HB SER 20 -0.594 -3.508 -8.684 131 HG SER 20 HG SER 20 -2.581 -2.549 -9.232 132 H ARG 21 H ARG 21 0.461 -5.244 -7.658 133 HA ARG 21 HA ARG 21 -1.228 -7.477 -7.683 134 1HB ARG 21 2HB ARG 21 0.499 -8.247 -8.803 135 2HB ARG 21 3HB ARG 21 1.518 -6.955 -8.228 136 1HG ARG 21 2HG ARG 21 2.369 -8.241 -6.402 137 2HG ARG 21 3HG ARG 21 1.169 -9.516 -6.630 138 1HD ARG 21 2HD ARG 21 3.372 -10.152 -7.536 139 2HD ARG 21 3HD ARG 21 2.116 -10.106 -8.797 140 HE ARG 21 HE ARG 21 3.354 -7.567 -8.689 141 1HH1 ARG 21 2HH2 ARG 21 4.126 -10.845 -9.690 142 2HH1 ARG 21 1HH2 ARG 21 5.292 -10.384 -10.893 143 1HH2 ARG 21 2HH1 ARG 21 4.916 -6.891 -10.244 144 2HH2 ARG 21 1HH1 ARG 21 5.747 -8.062 -11.209 145 H VAL 22 H VAL 22 0.999 -6.483 -5.039 146 HA VAL 22 HA VAL 22 0.574 -8.806 -3.431 147 HB VAL 22 HB VAL 22 1.992 -6.194 -3.365 148 1HG1 VAL 22 1HG1 VAL 22 0.972 -7.296 -0.762 149 2HG1 VAL 22 2HG1 VAL 22 2.358 -6.191 -0.947 150 3HG1 VAL 22 3HG1 VAL 22 0.758 -5.671 -1.496 151 1HG2 VAL 22 1HG2 VAL 22 2.664 -8.889 -2.204 152 2HG2 VAL 22 2HG2 VAL 22 3.089 -8.295 -3.829 153 3HG2 VAL 22 3HG2 VAL 22 3.743 -7.477 -2.397 154 H LEU 23 H LEU 23 -0.843 -5.537 -3.445 155 HA LEU 23 HA LEU 23 -2.717 -6.113 -1.287 156 1HB LEU 23 2HB LEU 23 -2.200 -3.895 -3.249 157 2HB LEU 23 3HB LEU 23 -3.727 -3.885 -2.459 158 HG LEU 23 HG LEU 23 -1.023 -4.044 -1.033 159 1HD1 LEU 23 1HD1 LEU 23 -1.429 -1.947 -2.401 160 2HD1 LEU 23 2HD1 LEU 23 -2.883 -1.665 -1.417 161 3HD1 LEU 23 3HD1 LEU 23 -1.252 -1.686 -0.668 162 1HD2 LEU 23 1HD2 LEU 23 -2.872 -4.903 0.384 163 2HD2 LEU 23 2HD2 LEU 23 -2.474 -3.283 0.933 164 3HD2 LEU 23 3HD2 LEU 23 -3.879 -3.536 -0.132 165 H ASN 24 H ASN 24 -2.812 -6.599 -4.794 166 HA ASN 24 HA ASN 24 -5.665 -6.950 -4.880 167 1HB ASN 24 2HB ASN 24 -4.382 -6.473 -6.901 168 2HB ASN 24 3HB ASN 24 -3.507 -8.004 -6.741 169 1HD2 ASN 24 1HD2 ASN 24 -6.807 -8.437 -5.742 170 2HD2 ASN 24 2HD2 ASN 24 -7.337 -9.083 -7.278 171 H LYS 25 H LYS 25 -2.848 -9.093 -4.363 172 HA LYS 25 HA LYS 25 -4.198 -11.486 -3.950 173 1HB LYS 25 2HB LYS 25 -1.632 -10.755 -3.663 174 2HB LYS 25 3HB LYS 25 -2.055 -10.792 -1.956 175 1HG LYS 25 2HG LYS 25 -2.252 -13.101 -3.956 176 2HG LYS 25 3HG LYS 25 -1.057 -12.867 -2.689 177 1HD LYS 25 2HD LYS 25 -2.355 -14.275 -1.501 178 2HD LYS 25 3HD LYS 25 -3.224 -12.801 -1.109 179 1HE LYS 25 2HE LYS 25 -4.503 -13.601 -3.469 180 2HE LYS 25 3HE LYS 25 -3.978 -15.157 -2.835 181 1HZ LYS 25 1HZ LYS 25 -5.176 -14.566 -0.778 182 2HZ LYS 25 2HZ LYS 25 -5.620 -13.132 -1.474 183 3HZ LYS 25 3HZ LYS 25 -6.175 -14.549 -2.092 184 H LEU 26 H LEU 26 -3.868 -8.727 -1.676 185 HA LEU 26 HA LEU 26 -5.464 -9.812 0.448 186 1HB LEU 26 2HB LEU 26 -4.048 -7.573 0.331 187 2HB LEU 26 3HB LEU 26 -5.527 -6.882 -0.311 188 HG LEU 26 HG LEU 26 -5.552 -6.321 1.871 189 1HD1 LEU 26 1HD1 LEU 26 -7.582 -7.095 2.605 190 2HD1 LEU 26 2HD1 LEU 26 -7.679 -7.355 0.867 191 3HD1 LEU 26 3HD1 LEU 26 -7.358 -8.735 1.938 192 1HD2 LEU 26 1HD2 LEU 26 -4.951 -9.181 2.667 193 2HD2 LEU 26 2HD2 LEU 26 -3.944 -7.722 2.872 194 3HD2 LEU 26 3HD2 LEU 26 -5.461 -7.875 3.765 195 H GLY 27 H GLY 27 -6.332 -7.656 -2.293 196 1HA GLY 27 2HA GLY 27 -8.052 -7.855 -3.808 197 2HA GLY 27 3HA GLY 27 -8.682 -9.257 -2.936 198 H GLY 28 H GLY 28 -9.287 -8.404 -0.484 199 1HA GLY 28 2HA GLY 28 -11.674 -6.779 -0.871 200 2HA GLY 28 3HA GLY 28 -11.035 -7.406 0.658 201 H VAL 29 H VAL 29 -9.805 -5.087 -1.841 202 HA VAL 29 HA VAL 29 -9.675 -2.938 0.202 203 HB VAL 29 HB VAL 29 -7.321 -2.424 -0.412 204 1HG1 VAL 29 1HG1 VAL 29 -7.763 -3.908 1.598 205 2HG1 VAL 29 2HG1 VAL 29 -7.491 -5.294 0.515 206 3HG1 VAL 29 3HG1 VAL 29 -6.179 -4.164 0.825 207 1HG2 VAL 29 1HG2 VAL 29 -5.931 -4.028 -1.596 208 2HG2 VAL 29 2HG2 VAL 29 -7.297 -5.154 -1.772 209 3HG2 VAL 29 3HG2 VAL 29 -7.302 -3.607 -2.645 210 H LYS 30 H LYS 30 -9.315 -0.802 -0.750 211 HA LYS 30 HA LYS 30 -8.859 -0.826 -3.621 212 1HB LYS 30 2HB LYS 30 -11.215 -0.238 -3.571 213 2HB LYS 30 3HB LYS 30 -10.957 0.886 -2.245 214 1HG LYS 30 2HG LYS 30 -11.362 2.048 -4.345 215 2HG LYS 30 3HG LYS 30 -9.838 2.477 -3.607 216 1HD LYS 30 2HD LYS 30 -9.869 2.285 -6.130 217 2HD LYS 30 3HD LYS 30 -8.549 1.516 -5.321 218 1HE LYS 30 2HE LYS 30 -9.380 0.170 -7.173 219 2HE LYS 30 3HE LYS 30 -9.485 -0.712 -5.663 220 1HZ LYS 30 1HZ LYS 30 -11.482 -0.971 -6.923 221 2HZ LYS 30 2HZ LYS 30 -11.821 -0.146 -5.543 222 3HZ LYS 30 3HZ LYS 30 -11.739 0.655 -6.980 223 H TYR 31 H TYR 31 -7.273 0.603 -4.156 224 HA TYR 31 HA TYR 31 -6.223 2.358 -2.070 225 1HB TYR 31 2HB TYR 31 -3.894 1.480 -2.837 226 2HB TYR 31 3HB TYR 31 -4.843 0.442 -1.790 227 HD1 TYR 31 HD1 TYR 31 -3.867 0.947 -5.348 228 HD2 TYR 31 HD2 TYR 31 -5.613 -1.717 -2.464 229 HE1 TYR 31 HE1 TYR 31 -3.730 -0.912 -6.988 230 HE2 TYR 31 HE2 TYR 31 -5.520 -3.572 -4.135 231 HH TYR 31 HH TYR 31 -3.879 -3.249 -7.238 232 H ASP 32 H ASP 32 -4.880 3.982 -2.863 233 HA ASP 32 HA ASP 32 -4.893 4.492 -5.792 234 1HB ASP 32 2HB ASP 32 -6.391 6.149 -4.820 235 2HB ASP 32 3HB ASP 32 -5.219 6.528 -3.549 236 H ILE 33 H ILE 33 -2.898 5.684 -6.396 237 HA ILE 33 HA ILE 33 -0.540 4.767 -4.801 238 HB ILE 33 HB ILE 33 -1.520 3.834 -7.519 239 1HG1 ILE 33 2HG1 ILE 33 -0.211 2.105 -5.417 240 2HG1 ILE 33 3HG1 ILE 33 -1.894 2.575 -5.190 241 1HG2 ILE 33 1HG2 ILE 33 0.771 2.751 -7.731 242 2HG2 ILE 33 2HG2 ILE 33 0.702 4.494 -8.002 243 3HG2 ILE 33 3HG2 ILE 33 1.318 3.858 -6.457 244 1HD1 ILE 33 1HD1 ILE 33 -2.596 1.594 -7.273 245 2HD1 ILE 33 2HD1 ILE 33 -0.918 1.203 -7.722 246 3HD1 ILE 33 3HD1 ILE 33 -1.677 0.394 -6.343 247 H ASP 34 H ASP 34 0.909 6.401 -4.808 248 HA ASP 34 HA ASP 34 1.039 8.221 -7.184 249 1HB ASP 34 2HB ASP 34 0.253 9.379 -5.157 250 2HB ASP 34 3HB ASP 34 1.758 8.885 -4.354 251 H LEU 35 H LEU 35 2.720 7.574 -8.352 252 HA LEU 35 HA LEU 35 5.016 6.207 -7.232 253 1HB LEU 35 2HB LEU 35 4.333 7.212 -10.008 254 2HB LEU 35 3HB LEU 35 5.918 6.599 -9.556 255 HG LEU 35 HG LEU 35 3.963 4.697 -8.590 256 1HD1 LEU 35 1HD1 LEU 35 2.350 5.698 -10.168 257 2HD1 LEU 35 2HD1 LEU 35 3.513 5.488 -11.500 258 3HD1 LEU 35 3HD1 LEU 35 2.824 4.070 -10.694 259 1HD2 LEU 35 1HD2 LEU 35 5.061 3.162 -10.152 260 2HD2 LEU 35 2HD2 LEU 35 5.778 4.528 -11.031 261 3HD2 LEU 35 3HD2 LEU 35 6.277 4.177 -9.367 262 HA PRO 36 HA PRO 36 7.471 10.106 -8.500 263 1HB PRO 36 2HB PRO 36 6.168 12.574 -8.532 264 2HB PRO 36 3HB PRO 36 6.527 11.563 -9.961 265 1HG PRO 36 2HG PRO 36 3.963 11.669 -8.361 266 2HG PRO 36 3HG PRO 36 4.150 11.725 -10.137 267 1HD PRO 36 2HD PRO 36 3.502 9.440 -8.950 268 2HD PRO 36 3HD PRO 36 4.760 9.419 -10.220 269 H ASN 37 H ASN 37 4.767 10.377 -6.227 270 HA ASN 37 HA ASN 37 6.562 11.695 -4.214 271 1HB ASN 37 2HB ASN 37 3.550 11.437 -4.109 272 2HB ASN 37 3HB ASN 37 4.588 12.335 -3.023 273 1HD2 ASN 37 1HD2 ASN 37 2.644 12.673 -5.773 274 2HD2 ASN 37 2HD2 ASN 37 3.292 14.223 -6.317 275 H LYS 38 H LYS 38 6.044 8.597 -5.037 276 HA LYS 38 HA LYS 38 6.259 6.629 -3.881 277 1HB LYS 38 2HB LYS 38 7.847 8.548 -2.094 278 2HB LYS 38 3HB LYS 38 7.936 6.801 -2.008 279 1HG LYS 38 2HG LYS 38 9.681 7.065 -3.429 280 2HG LYS 38 3HG LYS 38 8.385 7.015 -4.632 281 1HD LYS 38 2HD LYS 38 8.325 9.586 -4.420 282 2HD LYS 38 3HD LYS 38 9.845 9.435 -3.527 283 1HE LYS 38 2HE LYS 38 10.859 8.263 -5.492 284 2HE LYS 38 3HE LYS 38 9.301 8.321 -6.334 285 1HZ LYS 38 1HZ LYS 38 10.884 10.679 -5.578 286 2HZ LYS 38 2HZ LYS 38 10.685 10.068 -7.099 287 3HZ LYS 38 3HZ LYS 38 9.396 10.699 -6.286 288 H LYS 39 H LYS 39 3.781 7.025 -3.537 289 HA LYS 39 HA LYS 39 3.260 6.533 -0.659 290 1HB LYS 39 2HB LYS 39 2.361 8.884 -2.308 291 2HB LYS 39 3HB LYS 39 1.156 8.129 -1.275 292 1HG LYS 39 2HG LYS 39 2.675 8.468 0.685 293 2HG LYS 39 3HG LYS 39 3.857 9.234 -0.394 294 1HD LYS 39 2HD LYS 39 2.508 10.919 0.771 295 2HD LYS 39 3HD LYS 39 2.234 10.992 -0.987 296 1HE LYS 39 2HE LYS 39 0.040 10.220 -0.838 297 2HE LYS 39 3HE LYS 39 0.379 9.223 0.582 298 1HZ LYS 39 1HZ LYS 39 -1.028 10.927 1.202 299 2HZ LYS 39 2HZ LYS 39 0.328 11.059 1.975 300 3HZ LYS 39 3HZ LYS 39 0.020 12.147 0.726 301 H VAL 40 H VAL 40 1.340 5.483 -0.176 302 HA VAL 40 HA VAL 40 -0.400 4.597 -2.372 303 HB VAL 40 HB VAL 40 0.640 2.817 -0.116 304 1HG1 VAL 40 1HG1 VAL 40 -1.070 2.237 -2.569 305 2HG1 VAL 40 2HG1 VAL 40 -0.527 1.038 -1.369 306 3HG1 VAL 40 3HG1 VAL 40 -1.642 2.332 -0.893 307 1HG2 VAL 40 1HG2 VAL 40 1.351 2.731 -3.070 308 2HG2 VAL 40 2HG2 VAL 40 2.446 3.203 -1.748 309 3HG2 VAL 40 3HG2 VAL 40 1.837 1.555 -1.823 310 H CYS 41 H CYS 41 -2.481 4.938 -1.756 311 HA CYS 41 HA CYS 41 -3.218 5.440 1.127 312 1HB CYS 41 2HB CYS 41 -4.173 6.529 -1.542 313 2HB CYS 41 3HB CYS 41 -5.334 6.350 -0.217 314 HG CYS 41 HG CYS 41 -4.114 8.813 -0.729 315 H ILE 42 H ILE 42 -4.433 3.826 2.019 316 HA ILE 42 HA ILE 42 -5.848 2.109 0.095 317 HB ILE 42 HB ILE 42 -4.607 1.009 2.626 318 1HG1 ILE 42 2HG1 ILE 42 -3.390 1.039 -0.150 319 2HG1 ILE 42 3HG1 ILE 42 -2.771 1.849 1.307 320 1HG2 ILE 42 1HG2 ILE 42 -5.047 -1.174 1.340 321 2HG2 ILE 42 2HG2 ILE 42 -6.499 -0.248 1.693 322 3HG2 ILE 42 3HG2 ILE 42 -5.795 -0.211 0.077 323 1HD1 ILE 42 1HD1 ILE 42 -2.887 -1.142 0.997 324 2HD1 ILE 42 2HD1 ILE 42 -1.487 -0.092 0.775 325 3HD1 ILE 42 3HD1 ILE 42 -2.210 -0.242 2.366 326 H GLU 43 H GLU 43 -7.946 1.905 0.476 327 HA GLU 43 HA GLU 43 -9.027 2.581 3.181 328 1HB GLU 43 2HB GLU 43 -10.159 3.079 0.394 329 2HB GLU 43 3HB GLU 43 -11.066 3.232 1.909 330 1HG GLU 43 2HG GLU 43 -10.337 5.430 1.394 331 2HG GLU 43 3HG GLU 43 -9.337 4.858 2.734 332 H SER 44 H SER 44 -9.780 0.815 4.188 333 HA SER 44 HA SER 44 -11.417 -1.104 2.804 334 1HB SER 44 2HB SER 44 -9.153 -2.003 2.237 335 2HB SER 44 3HB SER 44 -8.752 -2.043 3.967 336 HG SER 44 HG SER 44 -10.123 -3.870 2.547 337 H GLU 45 H GLU 45 -12.384 -2.593 4.320 338 HA GLU 45 HA GLU 45 -12.631 -1.734 7.098 339 1HB GLU 45 2HB GLU 45 -13.470 -4.314 5.685 340 2HB GLU 45 3HB GLU 45 -13.945 -3.807 7.313 341 1HG GLU 45 2HG GLU 45 -15.074 -1.808 6.374 342 2HG GLU 45 3HG GLU 45 -14.631 -2.313 4.733 343 H HIS 46 H HIS 46 -10.479 -3.786 5.172 344 HA HIS 46 HA HIS 46 -9.375 -5.357 7.328 345 1HB HIS 46 2HB HIS 46 -8.277 -4.456 4.638 346 2HB HIS 46 3HB HIS 46 -7.336 -5.370 5.801 347 HD1 HIS 46 1HD HIS 46 -7.577 -7.912 5.788 348 HD2 HIS 46 2HD HIS 46 -10.463 -5.858 3.539 349 HE1 HIS 46 1HE HIS 46 -8.747 -9.644 4.341 350 H SER 47 H SER 47 -8.867 -4.243 9.119 351 HA SER 47 HA SER 47 -7.806 -1.734 9.522 352 1HB SER 47 2HB SER 47 -8.510 -3.420 11.267 353 2HB SER 47 3HB SER 47 -6.909 -4.176 11.092 354 HG SER 47 HG SER 47 -6.078 -2.562 12.189 355 H MET 48 H MET 48 -5.848 -0.787 9.679 356 HA MET 48 HA MET 48 -3.938 -1.121 7.778 357 1HB MET 48 2HB MET 48 -2.335 0.058 9.264 358 2HB MET 48 3HB MET 48 -3.880 0.866 9.021 359 1HG MET 48 2HG MET 48 -3.602 -0.928 11.398 360 2HG MET 48 3HG MET 48 -2.756 0.612 11.443 361 1HE MET 48 1HE MET 48 -5.084 -0.600 13.412 362 2HE MET 48 2HE MET 48 -4.159 0.883 13.755 363 3HE MET 48 3HE MET 48 -5.940 0.911 13.793 364 H ASP 49 H ASP 49 -4.054 -2.902 10.862 365 HA ASP 49 HA ASP 49 -1.459 -3.958 10.911 366 1HB ASP 49 2HB ASP 49 -3.955 -5.520 11.716 367 2HB ASP 49 3HB ASP 49 -2.356 -5.539 12.464 368 H THR 50 H THR 50 -4.389 -5.138 9.287 369 HA THR 50 HA THR 50 -3.178 -7.632 8.393 370 HB THR 50 HB THR 50 -5.808 -6.326 7.568 371 HG1 THR 50 1HG THR 50 -5.437 -6.769 9.898 372 1HG2 THR 50 1HG2 THR 50 -6.446 -8.746 7.216 373 2HG2 THR 50 2HG2 THR 50 -5.171 -8.194 6.099 374 3HG2 THR 50 3HG2 THR 50 -4.762 -9.196 7.508 375 H LEU 51 H LEU 51 -3.808 -4.378 7.102 376 HA LEU 51 HA LEU 51 -3.032 -4.926 4.371 377 1HB LEU 51 2HB LEU 51 -2.827 -2.346 5.982 378 2HB LEU 51 3HB LEU 51 -2.463 -2.556 4.277 379 HG LEU 51 HG LEU 51 -5.146 -2.623 5.689 380 1HD1 LEU 51 1HD1 LEU 51 -3.957 -1.267 3.236 381 2HD1 LEU 51 2HD1 LEU 51 -5.580 -0.930 3.901 382 3HD1 LEU 51 3HD1 LEU 51 -4.121 -0.519 4.832 383 1HD2 LEU 51 1HD2 LEU 51 -6.189 -3.264 3.509 384 2HD2 LEU 51 2HD2 LEU 51 -4.584 -3.692 2.879 385 3HD2 LEU 51 3HD2 LEU 51 -5.295 -4.599 4.240 386 H LEU 52 H LEU 52 -1.223 -3.319 7.018 387 HA LEU 52 HA LEU 52 1.266 -3.107 6.156 388 1HB LEU 52 2HB LEU 52 0.125 -3.784 8.822 389 2HB LEU 52 3HB LEU 52 1.777 -4.298 8.559 390 HG LEU 52 HG LEU 52 2.176 -1.826 7.731 391 1HD1 LEU 52 1HD1 LEU 52 -0.195 -1.508 9.642 392 2HD1 LEU 52 2HD1 LEU 52 0.756 -0.206 8.912 393 3HD1 LEU 52 3HD1 LEU 52 -0.275 -1.226 7.891 394 1HD2 LEU 52 1HD2 LEU 52 2.745 -1.208 10.042 395 2HD2 LEU 52 2HD2 LEU 52 1.823 -2.607 10.642 396 3HD2 LEU 52 3HD2 LEU 52 3.269 -2.851 9.632 397 H ALA 53 H ALA 53 0.274 -6.209 7.789 398 HA ALA 53 HA ALA 53 2.749 -7.392 7.084 399 1HB ALA 53 1HB ALA 53 1.696 -9.528 7.834 400 2HB ALA 53 2HB ALA 53 1.290 -8.198 8.938 401 3HB ALA 53 3HB ALA 53 0.091 -8.767 7.755 402 H THR 54 H THR 54 -0.191 -7.104 5.113 403 HA THR 54 HA THR 54 0.701 -9.090 3.174 404 HB THR 54 HB THR 54 -1.443 -6.918 3.004 405 HG1 THR 54 1HG THR 54 -2.039 -8.212 4.644 406 1HG2 THR 54 1HG2 THR 54 -2.365 -8.593 1.354 407 2HG2 THR 54 2HG2 THR 54 -0.919 -7.713 0.829 408 3HG2 THR 54 3HG2 THR 54 -0.793 -9.405 1.395 409 H LEU 55 H LEU 55 0.688 -5.522 3.558 410 HA LEU 55 HA LEU 55 1.623 -4.897 0.971 411 1HB LEU 55 2HB LEU 55 0.678 -3.561 3.321 412 2HB LEU 55 3HB LEU 55 2.289 -2.910 2.984 413 HG LEU 55 HG LEU 55 -0.204 -2.835 1.312 414 1HD1 LEU 55 1HD1 LEU 55 -0.171 -1.192 3.047 415 2HD1 LEU 55 2HD1 LEU 55 1.545 -0.844 2.835 416 3HD1 LEU 55 3HD1 LEU 55 0.418 -0.304 1.619 417 1HD2 LEU 55 1HD2 LEU 55 1.556 -3.166 -0.282 418 2HD2 LEU 55 2HD2 LEU 55 1.146 -1.443 -0.259 419 3HD2 LEU 55 3HD2 LEU 55 2.623 -2.015 0.564 420 H LYS 56 H LYS 56 3.178 -5.550 4.062 421 HA LYS 56 HA LYS 56 5.860 -4.933 3.637 422 1HB LYS 56 2HB LYS 56 4.424 -7.103 5.205 423 2HB LYS 56 3HB LYS 56 6.178 -7.061 5.090 424 1HG LYS 56 2HG LYS 56 6.135 -4.689 5.942 425 2HG LYS 56 3HG LYS 56 4.428 -4.786 6.142 426 1HD LYS 56 2HD LYS 56 5.462 -5.114 8.287 427 2HD LYS 56 3HD LYS 56 4.714 -6.627 7.807 428 1HE LYS 56 2HE LYS 56 6.907 -6.990 8.850 429 2HE LYS 56 3HE LYS 56 6.884 -7.594 7.195 430 1HZ LYS 56 1HZ LYS 56 8.888 -6.370 7.708 431 2HZ LYS 56 2HZ LYS 56 8.055 -5.613 6.514 432 3HZ LYS 56 3HZ LYS 56 8.032 -5.010 8.048 433 H LYS 57 H LYS 57 3.989 -7.500 2.096 434 HA LYS 57 HA LYS 57 6.232 -9.132 1.352 435 1HB LYS 57 2HB LYS 57 3.556 -8.802 -0.023 436 2HB LYS 57 3HB LYS 57 4.684 -10.135 -0.269 437 1HG LYS 57 2HG LYS 57 3.336 -9.498 2.403 438 2HG LYS 57 3HG LYS 57 2.724 -10.642 1.212 439 1HD LYS 57 2HD LYS 57 4.747 -12.008 1.428 440 2HD LYS 57 3HD LYS 57 5.450 -10.876 2.589 441 1HE LYS 57 2HE LYS 57 2.797 -12.356 2.999 442 2HE LYS 57 3HE LYS 57 4.356 -12.919 3.612 443 1HZ LYS 57 1HZ LYS 57 4.518 -10.934 4.934 444 2HZ LYS 57 2HZ LYS 57 3.080 -10.353 4.409 445 3HZ LYS 57 3HZ LYS 57 3.131 -11.734 5.280 446 H THR 58 H THR 58 5.232 -5.996 0.181 447 HA THR 58 HA THR 58 6.602 -5.901 -2.360 448 HB THR 58 HB THR 58 6.927 -3.535 -1.799 449 HG1 THR 58 1HG THR 58 5.628 -3.950 0.649 450 1HG2 THR 58 1HG2 THR 58 4.497 -2.990 -1.275 451 2HG2 THR 58 2HG2 THR 58 4.830 -3.980 -2.727 452 3HG2 THR 58 3HG2 THR 58 4.198 -4.730 -1.258 453 H GLY 59 H GLY 59 7.630 -5.722 1.015 454 1HA GLY 59 2HA GLY 59 9.567 -5.798 2.055 455 2HA GLY 59 3HA GLY 59 10.276 -6.692 0.683 456 H LYS 60 H LYS 60 8.864 -3.417 0.604 457 HA LYS 60 HA LYS 60 11.559 -2.198 0.124 458 1HB LYS 60 2HB LYS 60 8.868 -1.113 -0.699 459 2HB LYS 60 3HB LYS 60 10.465 -0.587 -1.220 460 1HG LYS 60 2HG LYS 60 10.818 -2.879 -2.311 461 2HG LYS 60 3HG LYS 60 9.134 -3.228 -1.958 462 1HD LYS 60 2HD LYS 60 9.020 -2.494 -4.154 463 2HD LYS 60 3HD LYS 60 8.554 -1.063 -3.219 464 1HE LYS 60 2HE LYS 60 11.219 -0.592 -3.293 465 2HE LYS 60 3HE LYS 60 11.162 -1.630 -4.714 466 1HZ LYS 60 1HZ LYS 60 10.944 0.872 -4.869 467 2HZ LYS 60 2HZ LYS 60 9.852 0.048 -5.811 468 3HZ LYS 60 3HZ LYS 60 9.430 0.739 -4.370 469 H THR 61 H THR 61 10.920 0.426 0.556 470 HA THR 61 HA THR 61 10.777 0.539 3.345 471 HB THR 61 HB THR 61 10.582 2.883 1.534 472 HG1 THR 61 1HG THR 61 12.913 1.321 1.898 473 1HG2 THR 61 1HG2 THR 61 12.278 3.851 3.061 474 2HG2 THR 61 2HG2 THR 61 10.846 3.332 3.965 475 3HG2 THR 61 3HG2 THR 61 12.319 2.339 3.991 476 H VAL 62 H VAL 62 8.398 -0.571 2.955 477 HA VAL 62 HA VAL 62 6.291 1.387 2.529 478 HB VAL 62 HB VAL 62 5.879 -0.663 1.648 479 1HG1 VAL 62 1HG1 VAL 62 5.573 -2.760 2.894 480 2HG1 VAL 62 2HG1 VAL 62 7.252 -2.224 2.958 481 3HG1 VAL 62 3HG1 VAL 62 6.190 -1.999 4.369 482 1HG2 VAL 62 1HG2 VAL 62 4.117 -0.588 4.121 483 2HG2 VAL 62 2HG2 VAL 62 3.941 0.510 2.736 484 3HG2 VAL 62 3HG2 VAL 62 3.748 -1.232 2.512 485 H SER 63 H SER 63 6.297 2.889 3.928 486 HA SER 63 HA SER 63 6.543 2.386 6.857 487 1HB SER 63 2HB SER 63 6.941 4.949 5.275 488 2HB SER 63 3HB SER 63 7.433 4.620 6.946 489 HG SER 63 HG SER 63 8.410 3.366 4.566 490 H TYR 64 H TYR 64 4.623 2.488 7.940 491 HA TYR 64 HA TYR 64 2.235 3.447 6.624 492 1HB TYR 64 2HB TYR 64 2.274 1.421 7.989 493 2HB TYR 64 3HB TYR 64 2.772 2.348 9.404 494 HD1 TYR 64 HD1 TYR 64 1.042 2.465 10.994 495 HD2 TYR 64 HD2 TYR 64 0.043 2.714 6.805 496 HE1 TYR 64 HE1 TYR 64 -1.329 2.847 11.577 497 HE2 TYR 64 HE2 TYR 64 -2.295 3.164 7.395 498 HH TYR 64 HH TYR 64 -3.489 3.155 10.759 499 H LEU 65 H LEU 65 0.958 5.210 7.126 500 HA LEU 65 HA LEU 65 2.023 7.283 8.987 501 1HB LEU 65 2HB LEU 65 0.425 7.556 6.440 502 2HB LEU 65 3HB LEU 65 0.607 8.831 7.642 503 HG LEU 65 HG LEU 65 3.218 8.231 7.421 504 1HD1 LEU 65 1HD1 LEU 65 3.812 7.738 5.131 505 2HD1 LEU 65 2HD1 LEU 65 2.826 6.425 5.778 506 3HD1 LEU 65 3HD1 LEU 65 2.098 7.600 4.659 507 1HD2 LEU 65 1HD2 LEU 65 2.252 10.411 7.122 508 2HD2 LEU 65 2HD2 LEU 65 3.391 10.063 5.801 509 3HD2 LEU 65 3HD2 LEU 65 1.635 9.966 5.509 510 H GLY 66 H GLY 66 -0.079 8.730 9.603 511 1HA GLY 66 2HA GLY 66 -1.396 7.248 11.567 512 2HA GLY 66 3HA GLY 66 -1.891 8.844 10.982 513 H LEU 67 H LEU 67 -3.580 6.771 11.893 514 HA LEU 67 HA LEU 67 -5.130 5.685 9.651 515 1HB LEU 67 2HB LEU 67 -4.981 4.429 11.747 516 2HB LEU 67 3HB LEU 67 -5.432 5.859 12.676 517 HG LEU 67 HG LEU 67 -7.728 5.784 11.696 518 1HD1 LEU 67 1HD1 LEU 67 -8.448 3.686 10.598 519 2HD1 LEU 67 2HD1 LEU 67 -7.260 4.536 9.598 520 3HD1 LEU 67 3HD1 LEU 67 -6.771 3.123 10.559 521 1HD2 LEU 67 1HD2 LEU 67 -7.214 4.789 13.881 522 2HD2 LEU 67 2HD2 LEU 67 -8.449 3.850 13.027 523 3HD2 LEU 67 3HD2 LEU 67 -6.777 3.257 13.095 524 H GLU 68 H GLU 68 -7.093 6.666 8.914 525 HA GLU 68 HA GLU 68 -8.161 8.963 10.502 526 1HB GLU 68 2HB GLU 68 -8.598 8.637 7.531 527 2HB GLU 68 3HB GLU 68 -9.037 9.987 8.558 528 1HG GLU 68 2HG GLU 68 -6.678 10.629 8.814 529 2HG GLU 68 3HG GLU 68 -6.161 9.213 7.883 Start of MODEL 30 1 1H MET 1 H1 MET 1 -9.776 2.841 11.328 2 2H MET 1 H2 MET 1 -8.136 2.716 11.393 3 3H MET 1 H3 MET 1 -8.873 3.497 10.131 4 HA MET 1 HA MET 1 -7.967 1.090 9.902 5 1HB MET 1 2HB MET 1 -10.710 0.734 11.160 6 2HB MET 1 3HB MET 1 -9.965 -0.464 10.092 7 1HG MET 1 2HG MET 1 -7.992 -0.595 11.561 8 2HG MET 1 3HG MET 1 -8.741 0.564 12.677 9 1HE MET 1 1HE MET 1 -8.820 -2.781 14.678 10 2HE MET 1 2HE MET 1 -7.549 -2.226 13.564 11 3HE MET 1 3HE MET 1 -8.322 -1.072 14.682 12 HA PRO 2 HA PRO 2 -11.407 1.402 6.748 13 1HB PRO 2 2HB PRO 2 -13.012 3.553 6.466 14 2HB PRO 2 3HB PRO 2 -13.213 2.204 7.665 15 1HG PRO 2 2HG PRO 2 -12.007 4.795 8.386 16 2HG PRO 2 3HG PRO 2 -13.458 4.020 9.086 17 1HD PRO 2 2HD PRO 2 -11.140 3.569 10.183 18 2HD PRO 2 3HD PRO 2 -12.186 2.159 9.898 19 H LYS 3 H LYS 3 -9.571 4.386 7.542 20 HA LYS 3 HA LYS 3 -8.556 4.335 4.716 21 1HB LYS 3 2HB LYS 3 -8.577 6.730 6.558 22 2HB LYS 3 3HB LYS 3 -8.142 6.674 4.845 23 1HG LYS 3 2HG LYS 3 -10.480 6.116 4.250 24 2HG LYS 3 3HG LYS 3 -10.918 6.085 5.956 25 1HD LYS 3 2HD LYS 3 -9.788 8.605 5.781 26 2HD LYS 3 3HD LYS 3 -10.454 8.411 4.157 27 1HE LYS 3 2HE LYS 3 -12.196 9.413 5.497 28 2HE LYS 3 3HE LYS 3 -12.661 7.718 5.269 29 1HZ LYS 3 1HZ LYS 3 -11.500 7.396 7.539 30 2HZ LYS 3 2HZ LYS 3 -11.530 8.997 7.686 31 3HZ LYS 3 3HZ LYS 3 -12.932 8.208 7.570 32 H HIS 4 H HIS 4 -6.279 4.222 4.550 33 HA HIS 4 HA HIS 4 -4.669 4.920 6.857 34 1HB HIS 4 2HB HIS 4 -3.472 2.517 6.499 35 2HB HIS 4 3HB HIS 4 -4.554 2.964 7.798 36 HD1 HIS 4 1HD HIS 4 -6.350 2.134 4.550 37 HD2 HIS 4 2HD HIS 4 -5.042 0.355 8.108 38 HE1 HIS 4 1HE HIS 4 -7.558 -0.091 4.726 39 H GLU 5 H GLU 5 -3.158 6.170 6.046 40 HA GLU 5 HA GLU 5 -2.306 5.850 3.265 41 1HB GLU 5 2HB GLU 5 -1.329 7.682 5.426 42 2HB GLU 5 3HB GLU 5 -0.693 7.610 3.784 43 1HG GLU 5 2HG GLU 5 -3.183 8.184 3.124 44 2HG GLU 5 3HG GLU 5 -3.294 8.733 4.805 45 H PHE 6 H PHE 6 -0.404 4.885 2.521 46 HA PHE 6 HA PHE 6 1.759 4.407 4.496 47 1HB PHE 6 2HB PHE 6 1.048 2.559 2.216 48 2HB PHE 6 3HB PHE 6 2.397 2.375 3.338 49 HD1 PHE 6 1HD PHE 6 -1.316 2.345 3.058 50 HD2 PHE 6 2HD PHE 6 2.042 1.453 5.589 51 HE1 PHE 6 1HE PHE 6 -2.817 1.133 4.604 52 HE2 PHE 6 2HE PHE 6 0.523 0.275 7.167 53 HZ PHE 6 HZ PHE 6 -1.892 0.058 6.651 54 H SER 7 H SER 7 3.727 5.091 3.865 55 HA SER 7 HA SER 7 3.970 6.161 1.079 56 1HB SER 7 2HB SER 7 4.447 7.877 2.788 57 2HB SER 7 3HB SER 7 5.755 6.848 3.413 58 HG SER 7 HG SER 7 5.649 7.523 0.640 59 H VAL 8 H VAL 8 5.793 5.401 -0.110 60 HA VAL 8 HA VAL 8 6.946 2.854 0.850 61 HB VAL 8 HB VAL 8 5.324 3.023 -1.733 62 1HG1 VAL 8 1HG1 VAL 8 6.851 1.119 -1.766 63 2HG1 VAL 8 2HG1 VAL 8 6.407 0.693 -0.093 64 3HG1 VAL 8 3HG1 VAL 8 5.254 0.518 -1.429 65 1HG2 VAL 8 1HG2 VAL 8 3.696 3.314 0.082 66 2HG2 VAL 8 2HG2 VAL 8 3.620 1.631 -0.435 67 3HG2 VAL 8 3HG2 VAL 8 4.488 2.040 1.036 68 H ASP 9 H ASP 9 8.322 2.097 -1.216 69 HA ASP 9 HA ASP 9 9.630 4.447 -2.497 70 1HB ASP 9 2HB ASP 9 11.467 3.344 -1.458 71 2HB ASP 9 3HB ASP 9 10.835 1.736 -1.836 72 H MET 10 H MET 10 9.476 4.404 -4.682 73 HA MET 10 HA MET 10 8.811 1.920 -6.032 74 1HB MET 10 2HB MET 10 7.471 4.583 -6.674 75 2HB MET 10 3HB MET 10 7.409 3.116 -7.663 76 1HG MET 10 2HG MET 10 5.420 3.253 -6.477 77 2HG MET 10 3HG MET 10 6.286 1.926 -5.711 78 1HE MET 10 1HE MET 10 3.578 3.825 -5.073 79 2HE MET 10 2HE MET 10 3.966 2.355 -4.137 80 3HE MET 10 3HE MET 10 3.697 3.913 -3.309 81 H THR 11 H THR 11 10.900 1.647 -6.725 82 HA THR 11 HA THR 11 12.485 3.772 -7.839 83 HB THR 11 HB THR 11 13.728 1.507 -8.617 84 HG1 THR 11 1HG THR 11 12.069 0.108 -8.016 85 1HG2 THR 11 1HG2 THR 11 14.774 1.421 -6.352 86 2HG2 THR 11 2HG2 THR 11 14.659 3.065 -7.009 87 3HG2 THR 11 3HG2 THR 11 13.521 2.533 -5.760 88 H CYS 12 HN CYS 12 9.905 1.749 -9.115 89 HA CYS 12 HA CYS 12 10.104 3.123 -11.631 90 1HB CYS 12 2HB CYS 12 10.208 1.124 -13.029 91 2HB CYS 12 3HB CYS 12 11.636 1.183 -12.002 92 H GLY 13 H GLY 13 8.119 2.549 -12.912 93 1HA GLY 13 2HA GLY 13 5.664 2.622 -11.610 94 2HA GLY 13 3HA GLY 13 5.932 1.930 -13.216 95 H GLY 14 H GLY 14 7.598 -0.169 -12.621 96 1HA GLY 14 2HA GLY 14 5.999 -2.300 -12.132 97 2HA GLY 14 3HA GLY 14 7.753 -2.290 -11.880 98 H CYS 15 HN CYS 15 7.667 -0.340 -9.609 99 HA CYS 15 HA CYS 15 7.154 -2.250 -7.478 100 1HB CYS 15 2HB CYS 15 7.723 0.707 -7.501 101 2HB CYS 15 3HB CYS 15 7.580 -0.261 -6.023 102 H ALA 16 H ALA 16 5.382 0.574 -8.820 103 HA ALA 16 HA ALA 16 3.305 0.557 -6.781 104 1HB ALA 16 1HB ALA 16 3.353 1.724 -9.599 105 2HB ALA 16 2HB ALA 16 2.076 1.969 -8.400 106 3HB ALA 16 3HB ALA 16 3.709 2.572 -8.075 107 H GLU 17 H GLU 17 3.678 -0.763 -10.092 108 HA GLU 17 HA GLU 17 1.200 -2.086 -10.330 109 1HB GLU 17 2HB GLU 17 3.951 -2.931 -11.318 110 2HB GLU 17 3HB GLU 17 2.431 -3.620 -11.879 111 1HG GLU 17 2HG GLU 17 1.750 -1.592 -12.922 112 2HG GLU 17 3HG GLU 17 2.971 -0.626 -12.091 113 H ALA 18 H ALA 18 4.300 -3.375 -9.056 114 HA ALA 18 HA ALA 18 3.532 -5.937 -8.219 115 1HB ALA 18 1HB ALA 18 5.541 -4.066 -6.924 116 2HB ALA 18 2HB ALA 18 5.411 -5.811 -6.671 117 3HB ALA 18 3HB ALA 18 5.858 -5.184 -8.271 118 H VAL 19 H VAL 19 3.526 -2.855 -6.288 119 HA VAL 19 HA VAL 19 2.423 -3.897 -3.944 120 HB VAL 19 HB VAL 19 2.286 -1.177 -5.310 121 1HG1 VAL 19 1HG1 VAL 19 0.943 -2.200 -2.831 122 2HG1 VAL 19 2HG1 VAL 19 1.335 -0.466 -3.041 123 3HG1 VAL 19 3HG1 VAL 19 0.233 -1.242 -4.175 124 1HG2 VAL 19 1HG2 VAL 19 3.544 -1.973 -2.659 125 2HG2 VAL 19 2HG2 VAL 19 4.448 -1.919 -4.193 126 3HG2 VAL 19 3HG2 VAL 19 3.723 -0.447 -3.539 127 H SER 20 H SER 20 0.775 -2.599 -6.873 128 HA SER 20 HA SER 20 -1.818 -2.936 -5.841 129 1HB SER 20 2HB SER 20 -0.733 -1.972 -8.236 130 2HB SER 20 3HB SER 20 -1.501 -3.447 -8.797 131 HG SER 20 HG SER 20 -3.352 -2.474 -7.367 132 H ARG 21 H ARG 21 0.159 -5.341 -7.688 133 HA ARG 21 HA ARG 21 -1.647 -7.385 -7.887 134 1HB ARG 21 2HB ARG 21 1.248 -7.850 -7.139 135 2HB ARG 21 3HB ARG 21 0.158 -8.707 -8.198 136 1HG ARG 21 2HG ARG 21 0.135 -6.605 -9.676 137 2HG ARG 21 3HG ARG 21 1.555 -6.269 -8.648 138 1HD ARG 21 2HD ARG 21 1.296 -8.735 -10.393 139 2HD ARG 21 3HD ARG 21 2.095 -7.221 -10.868 140 HE ARG 21 HE ARG 21 3.020 -8.381 -8.334 141 1HH1 ARG 21 2HH2 ARG 21 3.553 -8.312 -11.828 142 2HH1 ARG 21 1HH2 ARG 21 5.251 -8.647 -11.740 143 1HH2 ARG 21 2HH1 ARG 21 5.276 -8.857 -8.183 144 2HH2 ARG 21 1HH1 ARG 21 6.237 -9.004 -9.616 145 H VAL 22 H VAL 22 0.544 -6.430 -5.323 146 HA VAL 22 HA VAL 22 0.291 -8.669 -3.591 147 HB VAL 22 HB VAL 22 1.807 -6.212 -3.843 148 1HG1 VAL 22 1HG1 VAL 22 0.579 -5.179 -2.004 149 2HG1 VAL 22 2HG1 VAL 22 0.755 -6.650 -1.009 150 3HG1 VAL 22 3HG1 VAL 22 2.162 -5.675 -1.439 151 1HG2 VAL 22 1HG2 VAL 22 2.174 -8.587 -2.044 152 2HG2 VAL 22 2HG2 VAL 22 2.720 -8.420 -3.737 153 3HG2 VAL 22 3HG2 VAL 22 3.391 -7.352 -2.483 154 H LEU 23 H LEU 23 -1.114 -5.435 -3.542 155 HA LEU 23 HA LEU 23 -2.767 -5.929 -1.214 156 1HB LEU 23 2HB LEU 23 -2.377 -3.741 -3.227 157 2HB LEU 23 3HB LEU 23 -3.899 -3.724 -2.427 158 HG LEU 23 HG LEU 23 -1.132 -3.770 -1.100 159 1HD1 LEU 23 1HD1 LEU 23 -3.151 -1.506 -1.401 160 2HD1 LEU 23 2HD1 LEU 23 -1.547 -1.408 -0.642 161 3HD1 LEU 23 3HD1 LEU 23 -1.679 -1.674 -2.388 162 1HD2 LEU 23 1HD2 LEU 23 -3.917 -3.326 0.004 163 2HD2 LEU 23 2HD2 LEU 23 -2.886 -4.712 0.412 164 3HD2 LEU 23 3HD2 LEU 23 -2.415 -3.113 0.945 165 H ASN 24 H ASN 24 -3.331 -6.074 -4.785 166 HA ASN 24 HA ASN 24 -6.092 -6.602 -4.544 167 1HB ASN 24 2HB ASN 24 -5.049 -6.160 -6.711 168 2HB ASN 24 3HB ASN 24 -4.161 -7.690 -6.625 169 1HD2 ASN 24 1HD2 ASN 24 -7.388 -7.970 -5.254 170 2HD2 ASN 24 2HD2 ASN 24 -8.076 -8.684 -6.692 171 H LYS 25 H LYS 25 -3.276 -8.819 -4.344 172 HA LYS 25 HA LYS 25 -4.643 -11.204 -3.906 173 1HB LYS 25 2HB LYS 25 -2.013 -10.506 -3.882 174 2HB LYS 25 3HB LYS 25 -2.268 -10.648 -2.153 175 1HG LYS 25 2HG LYS 25 -1.513 -12.766 -2.821 176 2HG LYS 25 3HG LYS 25 -3.252 -12.956 -2.552 177 1HD LYS 25 2HD LYS 25 -3.607 -12.739 -5.047 178 2HD LYS 25 3HD LYS 25 -1.855 -12.571 -5.251 179 1HE LYS 25 2HE LYS 25 -1.521 -14.842 -4.294 180 2HE LYS 25 3HE LYS 25 -3.262 -14.988 -3.999 181 1HZ LYS 25 1HZ LYS 25 -2.007 -14.742 -6.653 182 2HZ LYS 25 2HZ LYS 25 -2.613 -16.119 -5.992 183 3HZ LYS 25 3HZ LYS 25 -3.623 -14.880 -6.365 184 H LEU 26 H LEU 26 -4.091 -8.602 -1.577 185 HA LEU 26 HA LEU 26 -5.140 -9.845 0.775 186 1HB LEU 26 2HB LEU 26 -4.010 -7.532 0.540 187 2HB LEU 26 3HB LEU 26 -5.567 -6.948 -0.023 188 HG LEU 26 HG LEU 26 -5.280 -6.277 2.130 189 1HD1 LEU 26 1HD1 LEU 26 -7.552 -7.092 1.213 190 2HD1 LEU 26 2HD1 LEU 26 -7.383 -8.421 2.386 191 3HD1 LEU 26 3HD1 LEU 26 -7.388 -6.735 2.939 192 1HD2 LEU 26 1HD2 LEU 26 -5.104 -9.147 3.069 193 2HD2 LEU 26 2HD2 LEU 26 -3.804 -7.926 3.054 194 3HD2 LEU 26 3HD2 LEU 26 -5.231 -7.682 4.075 195 H GLY 27 H GLY 27 -6.725 -7.935 -1.810 196 1HA GLY 27 2HA GLY 27 -8.597 -9.237 -2.847 197 2HA GLY 27 3HA GLY 27 -9.327 -9.327 -1.249 198 H GLY 28 H GLY 28 -10.323 -7.583 -0.321 199 1HA GLY 28 2HA GLY 28 -11.899 -6.151 -2.141 200 2HA GLY 28 3HA GLY 28 -11.826 -5.856 -0.396 201 H VAL 29 H VAL 29 -9.296 -5.067 -0.055 202 HA VAL 29 HA VAL 29 -9.121 -2.504 0.150 203 HB VAL 29 HB VAL 29 -6.645 -2.563 -0.325 204 1HG1 VAL 29 1HG1 VAL 29 -7.743 -4.918 1.243 205 2HG1 VAL 29 2HG1 VAL 29 -6.089 -4.301 1.342 206 3HG1 VAL 29 3HG1 VAL 29 -7.439 -3.286 1.874 207 1HG2 VAL 29 1HG2 VAL 29 -7.163 -5.464 -1.128 208 2HG2 VAL 29 2HG2 VAL 29 -6.587 -4.198 -2.226 209 3HG2 VAL 29 3HG2 VAL 29 -5.592 -4.687 -0.868 210 H LYS 30 H LYS 30 -9.277 -0.588 -0.976 211 HA LYS 30 HA LYS 30 -8.289 -0.552 -3.770 212 1HB LYS 30 2HB LYS 30 -10.823 0.762 -2.738 213 2HB LYS 30 3HB LYS 30 -9.981 1.281 -4.200 214 1HG LYS 30 2HG LYS 30 -11.148 -1.497 -3.732 215 2HG LYS 30 3HG LYS 30 -11.881 -0.192 -4.639 216 1HD LYS 30 2HD LYS 30 -10.993 -1.106 -6.461 217 2HD LYS 30 3HD LYS 30 -9.540 -0.232 -6.008 218 1HE LYS 30 2HE LYS 30 -9.336 -2.663 -6.775 219 2HE LYS 30 3HE LYS 30 -8.415 -2.192 -5.360 220 1HZ LYS 30 1HZ LYS 30 -9.930 -3.305 -3.962 221 2HZ LYS 30 2HZ LYS 30 -11.035 -3.558 -5.159 222 3HZ LYS 30 3HZ LYS 30 -9.581 -4.339 -5.158 223 H TYR 31 H TYR 31 -7.234 1.475 -4.240 224 HA TYR 31 HA TYR 31 -6.475 3.035 -1.942 225 1HB TYR 31 2HB TYR 31 -4.008 2.196 -2.294 226 2HB TYR 31 3HB TYR 31 -5.108 1.213 -1.357 227 HD1 TYR 31 HD1 TYR 31 -2.894 1.140 -4.150 228 HD2 TYR 31 HD2 TYR 31 -6.137 -0.879 -2.200 229 HE1 TYR 31 HE1 TYR 31 -2.609 -0.793 -5.667 230 HE2 TYR 31 HE2 TYR 31 -5.994 -2.723 -3.844 231 HH TYR 31 HH TYR 31 -4.746 -3.653 -5.569 232 H ASP 32 H ASP 32 -4.970 4.689 -2.485 233 HA ASP 32 HA ASP 32 -5.039 5.476 -5.351 234 1HB ASP 32 2HB ASP 32 -5.869 7.191 -3.667 235 2HB ASP 32 3HB ASP 32 -4.266 7.160 -2.929 236 H ILE 33 H ILE 33 -2.977 6.018 -6.253 237 HA ILE 33 HA ILE 33 -0.660 4.546 -5.083 238 HB ILE 33 HB ILE 33 -2.103 4.183 -7.734 239 1HG1 ILE 33 2HG1 ILE 33 -1.332 2.132 -5.617 240 2HG1 ILE 33 3HG1 ILE 33 -2.917 2.941 -5.634 241 1HG2 ILE 33 1HG2 ILE 33 -0.300 2.502 -8.227 242 2HG2 ILE 33 2HG2 ILE 33 0.253 4.177 -8.211 243 3HG2 ILE 33 3HG2 ILE 33 0.587 3.133 -6.810 244 1HD1 ILE 33 1HD1 ILE 33 -1.979 0.940 -7.661 245 2HD1 ILE 33 2HD1 ILE 33 -3.533 1.068 -6.801 246 3HD1 ILE 33 3HD1 ILE 33 -3.174 2.185 -8.094 247 H ASP 34 H ASP 34 0.393 6.487 -4.752 248 HA ASP 34 HA ASP 34 0.691 8.339 -7.089 249 1HB ASP 34 2HB ASP 34 0.034 9.316 -4.894 250 2HB ASP 34 3HB ASP 34 1.605 8.783 -4.251 251 H LEU 35 H LEU 35 2.331 7.824 -8.348 252 HA LEU 35 HA LEU 35 4.656 6.304 -7.426 253 1HB LEU 35 2HB LEU 35 3.642 7.328 -10.055 254 2HB LEU 35 3HB LEU 35 5.385 7.138 -9.865 255 HG LEU 35 HG LEU 35 3.462 4.904 -9.096 256 1HD1 LEU 35 1HD1 LEU 35 2.930 5.483 -11.438 257 2HD1 LEU 35 2HD1 LEU 35 4.649 5.315 -11.872 258 3HD1 LEU 35 3HD1 LEU 35 3.724 3.903 -11.318 259 1HD2 LEU 35 1HD2 LEU 35 5.893 4.752 -8.429 260 2HD2 LEU 35 2HD2 LEU 35 5.402 3.442 -9.510 261 3HD2 LEU 35 3HD2 LEU 35 6.340 4.805 -10.140 262 HA PRO 36 HA PRO 36 7.037 10.326 -8.414 263 1HB PRO 36 2HB PRO 36 5.667 12.765 -8.168 264 2HB PRO 36 3HB PRO 36 6.102 11.928 -9.684 265 1HG PRO 36 2HG PRO 36 3.491 11.821 -8.179 266 2HG PRO 36 3HG PRO 36 3.738 11.997 -9.938 267 1HD PRO 36 2HD PRO 36 3.096 9.635 -8.894 268 2HD PRO 36 3HD PRO 36 4.357 9.696 -10.153 269 H ASN 37 H ASN 37 4.396 10.480 -6.053 270 HA ASN 37 HA ASN 37 6.234 11.593 -3.959 271 1HB ASN 37 2HB ASN 37 3.238 11.076 -3.786 272 2HB ASN 37 3HB ASN 37 4.246 11.750 -2.540 273 1HD2 ASN 37 1HD2 ASN 37 2.288 12.652 -5.187 274 2HD2 ASN 37 2HD2 ASN 37 2.862 14.315 -5.308 275 H LYS 38 H LYS 38 5.361 8.561 -5.148 276 HA LYS 38 HA LYS 38 5.409 6.503 -4.408 277 1HB LYS 38 2HB LYS 38 7.527 7.546 -2.476 278 2HB LYS 38 3HB LYS 38 7.220 5.876 -2.962 279 1HG LYS 38 2HG LYS 38 8.993 6.353 -4.284 280 2HG LYS 38 3HG LYS 38 7.630 6.631 -5.378 281 1HD LYS 38 2HD LYS 38 7.846 9.106 -4.746 282 2HD LYS 38 3HD LYS 38 9.303 8.684 -3.840 283 1HE LYS 38 2HE LYS 38 10.368 7.888 -5.937 284 2HE LYS 38 3HE LYS 38 8.850 8.133 -6.819 285 1HZ LYS 38 1HZ LYS 38 8.988 10.475 -6.301 286 2HZ LYS 38 2HZ LYS 38 10.453 10.267 -5.584 287 3HZ LYS 38 3HZ LYS 38 10.281 9.971 -7.198 288 H LYS 39 H LYS 39 3.100 6.714 -3.615 289 HA LYS 39 HA LYS 39 2.986 6.054 -0.791 290 1HB LYS 39 2HB LYS 39 1.566 8.443 -2.113 291 2HB LYS 39 3HB LYS 39 0.997 7.700 -0.658 292 1HG LYS 39 2HG LYS 39 3.309 8.245 0.374 293 2HG LYS 39 3HG LYS 39 3.565 9.221 -1.074 294 1HD LYS 39 2HD LYS 39 2.694 10.799 0.409 295 2HD LYS 39 3HD LYS 39 1.251 10.313 -0.496 296 1HE LYS 39 2HE LYS 39 0.754 8.655 1.430 297 2HE LYS 39 3HE LYS 39 2.134 9.361 2.277 298 1HZ LYS 39 1HZ LYS 39 0.284 10.445 3.101 299 2HZ LYS 39 2HZ LYS 39 0.821 11.549 2.002 300 3HZ LYS 39 3HZ LYS 39 -0.498 10.563 1.751 301 H VAL 40 H VAL 40 1.143 4.999 -0.207 302 HA VAL 40 HA VAL 40 -0.675 4.023 -2.303 303 HB VAL 40 HB VAL 40 0.659 2.304 -0.169 304 1HG1 VAL 40 1HG1 VAL 40 -1.592 1.600 -0.926 305 2HG1 VAL 40 2HG1 VAL 40 -1.054 1.680 -2.617 306 3HG1 VAL 40 3HG1 VAL 40 -0.346 0.485 -1.510 307 1HG2 VAL 40 1HG2 VAL 40 1.928 1.330 -2.012 308 2HG2 VAL 40 2HG2 VAL 40 1.268 2.584 -3.115 309 3HG2 VAL 40 3HG2 VAL 40 2.328 3.018 -1.736 310 H CYS 41 H CYS 41 -2.549 5.063 -1.470 311 HA CYS 41 HA CYS 41 -2.849 5.072 1.510 312 1HB CYS 41 2HB CYS 41 -4.051 6.960 -0.523 313 2HB CYS 41 3HB CYS 41 -4.294 7.004 1.205 314 HG CYS 41 HG CYS 41 -1.477 7.194 -0.509 315 H ILE 42 H ILE 42 -4.318 3.703 2.292 316 HA ILE 42 HA ILE 42 -5.934 2.365 0.211 317 HB ILE 42 HB ILE 42 -5.018 1.138 2.835 318 1HG1 ILE 42 2HG1 ILE 42 -3.515 1.182 0.202 319 2HG1 ILE 42 3HG1 ILE 42 -3.024 1.837 1.769 320 1HG2 ILE 42 1HG2 ILE 42 -6.855 -0.011 1.779 321 2HG2 ILE 42 2HG2 ILE 42 -6.085 0.050 0.191 322 3HG2 ILE 42 3HG2 ILE 42 -5.416 -0.976 1.440 323 1HD1 ILE 42 1HD1 ILE 42 -3.239 -1.094 1.154 324 2HD1 ILE 42 2HD1 ILE 42 -1.753 -0.167 1.312 325 3HD1 ILE 42 3HD1 ILE 42 -2.757 -0.394 2.716 326 H GLU 43 H GLU 43 -8.025 2.313 0.284 327 HA GLU 43 HA GLU 43 -9.485 3.061 2.755 328 1HB GLU 43 2HB GLU 43 -10.270 3.047 -0.179 329 2HB GLU 43 3HB GLU 43 -11.412 3.255 1.161 330 1HG GLU 43 2HG GLU 43 -10.803 5.447 0.347 331 2HG GLU 43 3HG GLU 43 -10.106 5.231 1.959 332 H SER 44 H SER 44 -9.833 1.225 3.914 333 HA SER 44 HA SER 44 -11.416 -0.871 2.784 334 1HB SER 44 2HB SER 44 -8.916 -1.481 2.206 335 2HB SER 44 3HB SER 44 -8.783 -1.899 3.908 336 HG SER 44 HG SER 44 -10.563 -3.349 3.576 337 H GLU 45 H GLU 45 -12.748 -1.530 4.506 338 HA GLU 45 HA GLU 45 -12.172 -0.707 7.239 339 1HB GLU 45 2HB GLU 45 -14.285 -2.598 6.115 340 2HB GLU 45 3HB GLU 45 -14.249 -1.890 7.735 341 1HG GLU 45 2HG GLU 45 -14.388 0.392 6.723 342 2HG GLU 45 3HG GLU 45 -14.522 -0.334 5.112 343 H HIS 46 H HIS 46 -9.921 -1.812 6.914 344 HA HIS 46 HA HIS 46 -10.057 -4.695 7.717 345 1HB HIS 46 2HB HIS 46 -9.268 -3.883 5.304 346 2HB HIS 46 3HB HIS 46 -7.761 -3.530 6.150 347 HD1 HIS 46 1HD HIS 46 -6.747 -5.921 7.486 348 HD2 HIS 46 2HD HIS 46 -9.662 -6.249 4.449 349 HE1 HIS 46 1HE HIS 46 -6.729 -8.343 6.684 350 H SER 47 H SER 47 -8.139 -5.486 8.875 351 HA SER 47 HA SER 47 -7.069 -3.849 10.933 352 1HB SER 47 2HB SER 47 -5.384 -5.863 10.830 353 2HB SER 47 3HB SER 47 -7.027 -6.027 11.435 354 HG SER 47 HG SER 47 -6.084 -7.503 9.608 355 H MET 48 H MET 48 -5.607 -2.390 10.792 356 HA MET 48 HA MET 48 -4.120 -1.704 8.481 357 1HB MET 48 2HB MET 48 -2.996 -0.054 9.800 358 2HB MET 48 3HB MET 48 -4.709 -0.112 10.255 359 1HG MET 48 2HG MET 48 -4.067 -1.619 12.141 360 2HG MET 48 3HG MET 48 -2.365 -1.224 11.815 361 1HE MET 48 1HE MET 48 -3.095 0.759 15.105 362 2HE MET 48 2HE MET 48 -3.757 -0.830 14.651 363 3HE MET 48 3HE MET 48 -2.050 -0.442 14.311 364 H ASP 49 H ASP 49 -3.318 -3.649 11.295 365 HA ASP 49 HA ASP 49 -0.630 -4.347 10.919 366 1HB ASP 49 2HB ASP 49 -1.634 -5.311 12.815 367 2HB ASP 49 3HB ASP 49 -3.128 -5.723 11.965 368 H THR 50 H THR 50 -3.442 -6.176 9.696 369 HA THR 50 HA THR 50 -1.900 -7.854 8.163 370 HB THR 50 HB THR 50 -4.807 -7.242 7.626 371 HG1 THR 50 1HG THR 50 -3.565 -8.206 9.971 372 1HG2 THR 50 1HG2 THR 50 -3.806 -9.031 6.258 373 2HG2 THR 50 2HG2 THR 50 -3.204 -9.838 7.725 374 3HG2 THR 50 3HG2 THR 50 -4.948 -9.720 7.431 375 H LEU 51 H LEU 51 -3.610 -4.842 7.193 376 HA LEU 51 HA LEU 51 -2.940 -4.884 4.413 377 1HB LEU 51 2HB LEU 51 -3.224 -2.596 6.428 378 2HB LEU 51 3HB LEU 51 -2.699 -2.336 4.786 379 HG LEU 51 HG LEU 51 -5.350 -2.548 5.797 380 1HD1 LEU 51 1HD1 LEU 51 -5.862 -1.735 3.511 381 2HD1 LEU 51 2HD1 LEU 51 -4.436 -0.891 4.148 382 3HD1 LEU 51 3HD1 LEU 51 -4.226 -2.207 2.977 383 1HD2 LEU 51 1HD2 LEU 51 -4.899 -4.531 3.542 384 2HD2 LEU 51 2HD2 LEU 51 -5.351 -4.966 5.210 385 3HD2 LEU 51 3HD2 LEU 51 -6.445 -4.010 4.204 386 H LEU 52 H LEU 52 -1.071 -3.224 7.043 387 HA LEU 52 HA LEU 52 1.142 -2.551 5.638 388 1HB LEU 52 2HB LEU 52 0.520 -2.041 7.972 389 2HB LEU 52 3HB LEU 52 0.980 -3.692 8.396 390 HG LEU 52 HG LEU 52 3.279 -3.291 8.122 391 1HD1 LEU 52 1HD1 LEU 52 2.532 -0.748 6.620 392 2HD1 LEU 52 2HD1 LEU 52 4.183 -1.155 7.131 393 3HD1 LEU 52 3HD1 LEU 52 3.349 -2.163 5.941 394 1HD2 LEU 52 1HD2 LEU 52 2.172 -2.194 10.052 395 2HD2 LEU 52 2HD2 LEU 52 3.616 -1.282 9.535 396 3HD2 LEU 52 3HD2 LEU 52 1.984 -0.720 9.083 397 H ALA 53 H ALA 53 0.639 -5.675 7.391 398 HA ALA 53 HA ALA 53 3.172 -6.770 6.732 399 1HB ALA 53 1HB ALA 53 2.183 -8.901 7.538 400 2HB ALA 53 2HB ALA 53 1.745 -7.558 8.615 401 3HB ALA 53 3HB ALA 53 0.560 -8.188 7.453 402 H THR 54 H THR 54 0.038 -6.906 4.952 403 HA THR 54 HA THR 54 1.052 -8.737 2.970 404 HB THR 54 HB THR 54 -1.278 -6.769 2.925 405 HG1 THR 54 1HG THR 54 -1.541 -8.249 4.531 406 1HG2 THR 54 1HG2 THR 54 -0.464 -9.098 1.150 407 2HG2 THR 54 2HG2 THR 54 -2.113 -8.456 1.227 408 3HG2 THR 54 3HG2 THR 54 -0.793 -7.408 0.674 409 H LEU 55 H LEU 55 0.867 -5.159 3.319 410 HA LEU 55 HA LEU 55 1.683 -4.570 0.663 411 1HB LEU 55 2HB LEU 55 0.913 -3.184 3.052 412 2HB LEU 55 3HB LEU 55 2.456 -2.499 2.554 413 HG LEU 55 HG LEU 55 -0.201 -2.449 1.195 414 1HD1 LEU 55 1HD1 LEU 55 1.875 -0.384 2.101 415 2HD1 LEU 55 2HD1 LEU 55 0.394 0.022 1.250 416 3HD1 LEU 55 3HD1 LEU 55 0.307 -0.726 2.860 417 1HD2 LEU 55 1HD2 LEU 55 0.949 -1.215 -0.645 418 2HD2 LEU 55 2HD2 LEU 55 2.505 -1.852 -0.050 419 3HD2 LEU 55 3HD2 LEU 55 1.231 -2.956 -0.645 420 H LYS 56 H LYS 56 3.394 -5.006 3.679 421 HA LYS 56 HA LYS 56 6.071 -4.550 3.076 422 1HB LYS 56 2HB LYS 56 4.591 -6.403 4.948 423 2HB LYS 56 3HB LYS 56 6.341 -6.525 4.782 424 1HG LYS 56 2HG LYS 56 6.651 -4.261 5.475 425 2HG LYS 56 3HG LYS 56 4.939 -3.891 5.384 426 1HD LYS 56 2HD LYS 56 5.802 -4.028 7.663 427 2HD LYS 56 3HD LYS 56 4.497 -5.167 7.407 428 1HE LYS 56 2HE LYS 56 7.452 -5.947 7.197 429 2HE LYS 56 3HE LYS 56 6.592 -5.931 8.741 430 1HZ LYS 56 1HZ LYS 56 5.076 -7.544 7.925 431 2HZ LYS 56 2HZ LYS 56 5.768 -7.552 6.433 432 3HZ LYS 56 3HZ LYS 56 6.610 -8.103 7.735 433 H LYS 57 H LYS 57 4.102 -7.219 1.861 434 HA LYS 57 HA LYS 57 6.202 -9.082 1.386 435 1HB LYS 57 2HB LYS 57 3.707 -8.526 -0.241 436 2HB LYS 57 3HB LYS 57 4.716 -9.959 -0.428 437 1HG LYS 57 2HG LYS 57 3.368 -9.237 2.217 438 2HG LYS 57 3HG LYS 57 2.589 -10.198 0.959 439 1HD LYS 57 2HD LYS 57 4.409 -11.871 1.093 440 2HD LYS 57 3HD LYS 57 5.205 -10.909 2.359 441 1HE LYS 57 2HE LYS 57 3.204 -11.129 3.815 442 2HE LYS 57 3HE LYS 57 2.375 -12.061 2.559 443 1HZ LYS 57 1HZ LYS 57 4.053 -13.760 2.786 444 2HZ LYS 57 2HZ LYS 57 4.833 -12.898 3.953 445 3HZ LYS 57 3HZ LYS 57 3.318 -13.475 4.227 446 H THR 58 H THR 58 5.427 -6.074 -0.286 447 HA THR 58 HA THR 58 7.142 -6.465 -2.639 448 HB THR 58 HB THR 58 6.910 -4.133 -2.911 449 HG1 THR 58 1HG THR 58 5.501 -3.979 -0.431 450 1HG2 THR 58 1HG2 THR 58 4.301 -5.192 -1.815 451 2HG2 THR 58 2HG2 THR 58 4.543 -3.955 -3.059 452 3HG2 THR 58 3HG2 THR 58 4.983 -5.638 -3.400 453 H GLY 59 H GLY 59 7.656 -5.616 0.707 454 1HA GLY 59 2HA GLY 59 9.378 -5.092 1.896 455 2HA GLY 59 3HA GLY 59 10.393 -6.083 0.810 456 H LYS 60 H LYS 60 8.594 -3.132 -0.007 457 HA LYS 60 HA LYS 60 11.040 -1.678 -0.788 458 1HB LYS 60 2HB LYS 60 8.183 -0.730 -0.511 459 2HB LYS 60 3HB LYS 60 9.431 0.084 -1.422 460 1HG LYS 60 2HG LYS 60 8.114 -2.553 -2.120 461 2HG LYS 60 3HG LYS 60 7.910 -1.022 -2.957 462 1HD LYS 60 2HD LYS 60 10.331 -2.868 -2.948 463 2HD LYS 60 3HD LYS 60 9.305 -2.394 -4.302 464 1HE LYS 60 2HE LYS 60 9.991 0.076 -3.652 465 2HE LYS 60 3HE LYS 60 11.337 -0.650 -2.781 466 1HZ LYS 60 1HZ LYS 60 12.115 -1.445 -4.931 467 2HZ LYS 60 2HZ LYS 60 10.793 -0.763 -5.684 468 3HZ LYS 60 3HZ LYS 60 11.857 0.189 -4.854 469 H THR 61 H THR 61 10.921 0.773 0.073 470 HA THR 61 HA THR 61 11.131 0.767 2.904 471 HB THR 61 HB THR 61 10.915 3.125 1.111 472 HG1 THR 61 1HG THR 61 13.156 1.424 1.450 473 1HG2 THR 61 1HG2 THR 61 12.660 4.089 2.599 474 2HG2 THR 61 2HG2 THR 61 11.221 3.626 3.524 475 3HG2 THR 61 3HG2 THR 61 12.669 2.595 3.559 476 H VAL 62 H VAL 62 8.832 -0.203 2.966 477 HA VAL 62 HA VAL 62 6.628 1.664 2.687 478 HB VAL 62 HB VAL 62 6.304 -0.682 2.237 479 1HG1 VAL 62 1HG1 VAL 62 7.769 -1.679 4.009 480 2HG1 VAL 62 2HG1 VAL 62 6.571 -1.183 5.230 481 3HG1 VAL 62 3HG1 VAL 62 6.129 -2.344 3.970 482 1HG2 VAL 62 1HG2 VAL 62 4.174 -0.954 3.394 483 2HG2 VAL 62 2HG2 VAL 62 4.628 0.250 4.611 484 3HG2 VAL 62 3HG2 VAL 62 4.384 0.740 2.925 485 H SER 63 H SER 63 5.759 2.974 4.180 486 HA SER 63 HA SER 63 6.454 2.715 7.049 487 1HB SER 63 2HB SER 63 7.993 4.378 5.910 488 2HB SER 63 3HB SER 63 6.555 5.298 5.427 489 HG SER 63 HG SER 63 7.495 4.758 8.055 490 H TYR 64 H TYR 64 4.730 3.270 8.328 491 HA TYR 64 HA TYR 64 2.065 3.417 7.062 492 1HB TYR 64 2HB TYR 64 2.187 1.741 8.679 493 2HB TYR 64 3HB TYR 64 3.214 2.683 9.746 494 HD1 TYR 64 HD1 TYR 64 -0.316 2.141 8.711 495 HD2 TYR 64 HD2 TYR 64 2.366 4.280 11.326 496 HE1 TYR 64 HE1 TYR 64 -2.172 2.537 10.307 497 HE2 TYR 64 HE2 TYR 64 0.504 4.736 12.872 498 HH TYR 64 HH TYR 64 -1.662 4.237 13.423 499 H LEU 65 H LEU 65 0.938 5.270 6.936 500 HA LEU 65 HA LEU 65 1.627 7.586 8.654 501 1HB LEU 65 2HB LEU 65 0.885 7.445 5.727 502 2HB LEU 65 3HB LEU 65 0.668 8.897 6.701 503 HG LEU 65 HG LEU 65 3.247 8.353 7.381 504 1HD1 LEU 65 1HD1 LEU 65 3.368 6.364 5.968 505 2HD1 LEU 65 2HD1 LEU 65 2.923 7.346 4.550 506 3HD1 LEU 65 3HD1 LEU 65 4.469 7.629 5.400 507 1HD2 LEU 65 1HD2 LEU 65 2.363 10.441 6.533 508 2HD2 LEU 65 2HD2 LEU 65 3.830 10.005 5.624 509 3HD2 LEU 65 3HD2 LEU 65 2.216 9.750 4.897 510 H GLY 66 H GLY 66 -0.396 9.087 8.463 511 1HA GLY 66 2HA GLY 66 -2.425 8.929 9.927 512 2HA GLY 66 3HA GLY 66 -2.716 9.370 8.250 513 H LEU 67 H LEU 67 -3.313 7.097 10.719 514 HA LEU 67 HA LEU 67 -4.991 5.282 9.121 515 1HB LEU 67 2HB LEU 67 -3.683 4.499 11.022 516 2HB LEU 67 3HB LEU 67 -4.424 5.684 12.092 517 HG LEU 67 HG LEU 67 -5.197 3.503 12.498 518 1HD1 LEU 67 1HD1 LEU 67 -7.501 3.865 12.770 519 2HD1 LEU 67 2HD1 LEU 67 -6.824 5.487 12.698 520 3HD1 LEU 67 3HD1 LEU 67 -7.660 4.808 11.289 521 1HD2 LEU 67 1HD2 LEU 67 -4.888 2.648 10.129 522 2HD2 LEU 67 2HD2 LEU 67 -6.284 2.037 11.005 523 3HD2 LEU 67 3HD2 LEU 67 -6.503 3.291 9.759 524 H GLU 68 H GLU 68 -7.174 5.729 8.861 525 HA GLU 68 HA GLU 68 -8.666 7.157 10.796 526 1HB GLU 68 2HB GLU 68 -7.504 8.886 8.994 527 2HB GLU 68 3HB GLU 68 -8.993 8.528 8.137 528 1HG GLU 68 2HG GLU 68 -8.862 9.453 11.055 529 2HG GLU 68 3HG GLU 68 -8.972 10.556 9.681
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