Georgetown Riga Oslo Madrid Amsterdam Chisinau Stockholm 391 1GLY N 1 0.230 -0.964 1.825 1GLY H1 2 0.296 -0.897 1.860 1GLY H2 3 0.172 -0.996 1.901 1GLY H3 4 0.278 -1.041 1.785 1GLY CA 5 0.147 -0.902 1.725 1GLY C 6 0.045 -0.998 1.670 1GLY O 7 0.021 -1.107 1.735 2PRO N 8 -0.017 -0.967 1.562 2PRO CA 9 -0.113 -1.061 1.496 2PRO CB 10 -0.172 -0.983 1.378 2PRO CG 11 -0.082 -0.868 1.355 2PRO CD 12 0.011 -0.845 1.478 2PRO C 13 -0.038 -1.182 1.449 2PRO O 14 0.078 -1.186 1.408 3SER N 15 -0.118 -1.292 1.457 3SER H 16 -0.211 -1.287 1.495 3SER CA 17 -0.063 -1.419 1.405 3SER CB 18 -0.136 -1.536 1.457 3SER OG 19 -0.266 -1.523 1.421 3SER HG 20 -0.317 -1.602 1.455 3SER C 21 -0.064 -1.419 1.249 3SER O 22 -0.115 -1.333 1.183 4GLN N 23 0.024 -1.500 1.196 4GLN H 24 0.075 -1.564 1.254 4GLN CA 25 0.049 -1.494 1.048 4GLN CB 26 0.164 -1.589 1.011 4GLN CG 27 0.218 -1.570 0.870 4GLN CD 28 0.331 -1.667 0.837 4GLN OE1 29 0.372 -1.676 0.721 4GLN NE2 30 0.386 -1.740 0.932 4GLN HE21 31 0.354 -1.732 1.026 4GLN HE22 32 0.460 -1.804 0.909 4GLN C 33 -0.077 -1.538 0.973 4GLN O 34 -0.133 -1.645 1.002 5PRO N 35 -0.120 -1.465 0.875 5PRO CA 36 -0.241 -1.497 0.809 5PRO CB 37 -0.280 -1.385 0.715 5PRO CG 38 -0.181 -1.275 0.744 5PRO CD 39 -0.077 -1.319 0.841 5PRO C 40 -0.226 -1.630 0.726 5PRO O 41 -0.118 -1.660 0.682 6THR N 42 -0.338 -1.692 0.717 6THR H 43 -0.417 -1.658 0.769 6THR CA 44 -0.355 -1.816 0.631 6THR CB 45 -0.475 -1.891 0.688 6THR OG1 46 -0.404 -1.950 0.807 6THR HG1 47 -0.468 -2.006 0.861 6THR CG2 48 -0.480 -2.026 0.606 6THR C 49 -0.375 -1.775 0.486 6THR O 50 -0.469 -1.704 0.452 7TYR N 51 -0.289 -1.821 0.395 7TYR H 52 -0.209 -1.871 0.427 7TYR CA 53 -0.306 -1.802 0.250 7TYR CB 54 -0.183 -1.859 0.179 7TYR CG 55 -0.191 -1.841 0.026 7TYR CD1 56 -0.203 -1.712 -0.028 7TYR HD1 57 -0.207 -1.633 0.032 7TYR CD2 58 -0.188 -1.952 -0.059 7TYR HD2 59 -0.182 -2.044 -0.020 7TYR CE1 60 -0.209 -1.695 -0.167 7TYR HE1 61 -0.217 -1.603 -0.206 7TYR CE2 62 -0.194 -1.934 -0.198 7TYR HE2 63 -0.192 -2.014 -0.258 7TYR CZ 64 -0.204 -1.806 -0.252 7TYR OH 65 -0.207 -1.788 -0.387 7TYR HH 66 -0.202 -1.876 -0.432 7TYR C 67 -0.433 -1.874 0.201 7TYR O 68 -0.454 -1.993 0.229 8PRO N 69 -0.526 -1.807 0.144 8PRO CA 70 -0.657 -1.863 0.100 8PRO CB 71 -0.749 -1.740 0.080 8PRO CG 72 -0.658 -1.631 0.043 8PRO CD 73 -0.523 -1.661 0.117 8PRO C 74 -0.649 -1.953 -0.019 8PRO O 75 -0.758 -2.024 -0.051 9GLY N 76 -0.538 -1.974 -0.086 9GLY H 77 -0.453 -1.926 -0.062 9GLY CA 78 -0.542 -2.073 -0.198 9GLY C 79 -0.526 -1.986 -0.321 9GLY O 80 -0.579 -1.878 -0.334 10ASP N 81 -0.463 -2.046 -0.425 10ASP H 82 -0.421 -2.136 -0.409 10ASP CA 83 -0.452 -1.987 -0.561 10ASP CB 84 -0.370 -2.077 -0.652 10ASP CG 85 -0.222 -2.089 -0.612 10ASP OD1 86 -0.152 -2.189 -0.654 10ASP OD2 87 -0.168 -2.001 -0.535 10ASP C 88 -0.589 -1.964 -0.623 10ASP O 89 -0.608 -1.870 -0.701 11ASP N 90 -0.681 -2.049 -0.592 11ASP H 91 -0.662 -2.120 -0.524 11ASP CA 92 -0.811 -2.041 -0.654 11ASP CB 93 -0.868 -2.181 -0.685 11ASP CG 94 -0.779 -2.257 -0.783 11ASP OD1 95 -0.740 -2.200 -0.891 11ASP OD2 96 -0.743 -2.378 -0.756 11ASP C 97 -0.914 -1.968 -0.569 11ASP O 98 -1.027 -1.945 -0.615 12ALA N 99 -0.861 -1.889 -0.477 12ALA H 100 -0.763 -1.881 -0.461 12ALA CA 101 -0.962 -1.813 -0.402 12ALA CB 102 -0.883 -1.758 -0.279 12ALA C 103 -1.010 -1.693 -0.482 12ALA O 104 -0.948 -1.647 -0.578 13PRO N 105 -1.137 -1.655 -0.469 13PRO CA 106 -1.198 -1.541 -0.547 13PRO CB 107 -1.342 -1.524 -0.491 13PRO CG 108 -1.350 -1.601 -0.366 13PRO CD 109 -1.224 -1.688 -0.348 13PRO C 110 -1.119 -1.412 -0.521 13PRO O 111 -1.052 -1.396 -0.403 14VAL N 112 -1.118 -1.319 -0.613 14VAL H 113 -1.172 -1.329 -0.696 14VAL CA 114 -1.034 -1.195 -0.591 14VAL CB 115 -1.048 -1.111 -0.716 14VAL CG1 116 -0.981 -0.975 -0.706 14VAL CG2 117 -1.001 -1.187 -0.843 14VAL C 118 -1.067 -1.123 -0.461 14VAL O 119 -0.973 -1.072 -0.390 15GLU N 120 -1.184 -1.132 -0.411 15GLU H 121 -1.254 -1.188 -0.455 15GLU CA 122 -1.214 -1.055 -0.285 15GLU CB 123 -1.371 -1.055 -0.259 15GLU CG 124 -1.421 -1.185 -0.196 15GLU CD 125 -1.556 -1.170 -0.125 15GLU OE1 126 -1.615 -1.273 -0.076 15GLU OE2 127 -1.611 -1.053 -0.116 15GLU C 128 -1.145 -1.117 -0.170 15GLU O 129 -1.117 -1.038 -0.076 16ASP N 130 -1.132 -1.250 -0.170 16ASP H 131 -1.180 -1.303 -0.239 16ASP CA 132 -1.049 -1.319 -0.072 16ASP CB 133 -1.071 -1.467 -0.064 16ASP CG 134 -1.211 -1.502 -0.015 16ASP OD1 135 -1.257 -1.621 -0.034 16ASP OD2 136 -1.282 -1.413 0.044 16ASP C 137 -0.900 -1.298 -0.096 16ASP O 138 -0.824 -1.284 0.001 17LEU N 139 -0.848 -1.279 -0.211 17LEU H 140 -0.901 -1.287 -0.295 17LEU CA 141 -0.703 -1.244 -0.213 17LEU CB 142 -0.665 -1.247 -0.363 17LEU CG 143 -0.652 -1.393 -0.406 17LEU CD1 144 -0.625 -1.392 -0.558 17LEU CD2 145 -0.537 -1.466 -0.326 17LEU C 146 -0.681 -1.098 -0.172 17LEU O 147 -0.581 -1.072 -0.116 18ILE N 148 -0.779 -1.008 -0.188 18ILE H 149 -0.862 -1.034 -0.236 18ILE CA 150 -0.768 -0.868 -0.135 18ILE CB 151 -0.882 -0.787 -0.196 18ILE CG1 152 -0.851 -0.756 -0.345 18ILE CG2 153 -0.897 -0.660 -0.112 18ILE CD 154 -0.964 -0.695 -0.412 18ILE C 155 -0.779 -0.875 0.018 18ILE O 156 -0.694 -0.810 0.082 19ARG N 157 -0.870 -0.954 0.077 19ARG H 158 -0.939 -1.004 0.024 19ARG CA 159 -0.864 -0.964 0.228 19ARG CB 160 -0.974 -1.058 0.260 19ARG CG 161 -1.101 -0.986 0.312 19ARG CD 162 -1.221 -1.074 0.360 19ARG NE 163 -1.324 -1.059 0.262 19ARG HE 164 -1.288 -1.079 0.171 19ARG CZ 165 -1.456 -1.026 0.252 19ARG NH1 166 -1.565 -0.993 0.345 19ARG HH11 167 -1.548 -0.992 0.444 19ARG HH12 168 -1.656 -0.972 0.310 19ARG NH2 169 -1.488 -1.017 0.133 19ARG HH21 170 -1.419 -1.033 0.062 19ARG HH22 171 -1.581 -0.993 0.108 19ARG C 172 -0.727 -1.018 0.272 19ARG O 173 -0.674 -0.980 0.377 20PHE N 174 -0.670 -1.122 0.213 20PHE H 175 -0.718 -1.165 0.136 20PHE CA 176 -0.544 -1.178 0.255 20PHE CB 177 -0.510 -1.297 0.165 20PHE CG 178 -0.371 -1.351 0.195 20PHE CD1 179 -0.267 -1.333 0.103 20PHE HD1 180 -0.283 -1.285 0.017 20PHE CD2 181 -0.349 -1.418 0.315 20PHE HD2 182 -0.424 -1.431 0.380 20PHE CE1 183 -0.139 -1.383 0.133 20PHE HE1 184 -0.064 -1.371 0.068 20PHE CE2 185 -0.222 -1.468 0.344 20PHE HE2 186 -0.206 -1.516 0.430 20PHE CZ 187 -0.117 -1.450 0.254 20PHE HZ 188 -0.026 -1.485 0.275 20PHE C 189 -0.437 -1.069 0.239 20PHE O 190 -0.349 -1.054 0.325 21TYR N 191 -0.435 -0.992 0.128 21TYR H 192 -0.505 -1.009 0.059 21TYR CA 193 -0.340 -0.888 0.101 21TYR CB 194 -0.382 -0.814 -0.027 21TYR CG 195 -0.306 -0.687 -0.056 21TYR CD1 196 -0.173 -0.692 -0.099 21TYR HD1 197 -0.128 -0.781 -0.112 21TYR CD2 198 -0.371 -0.565 -0.038 21TYR HD2 199 -0.466 -0.563 -0.007 21TYR CE1 200 -0.104 -0.573 -0.125 21TYR HE1 201 -0.009 -0.576 -0.156 21TYR CE2 202 -0.302 -0.447 -0.062 21TYR HE2 203 -0.348 -0.359 -0.049 21TYR CZ 204 -0.169 -0.451 -0.106 21TYR OH 205 -0.104 -0.333 -0.129 21TYR HH 206 -0.165 -0.257 -0.110 21TYR C 207 -0.341 -0.790 0.218 21TYR O 208 -0.236 -0.753 0.272 22ASP N 209 -0.464 -0.747 0.259 22ASP H 210 -0.547 -0.782 0.215 22ASP CA 211 -0.473 -0.647 0.369 22ASP CB 212 -0.619 -0.606 0.385 22ASP CG 213 -0.671 -0.516 0.275 22ASP OD1 214 -0.797 -0.512 0.249 22ASP OD2 215 -0.589 -0.443 0.207 22ASP C 216 -0.421 -0.709 0.498 22ASP O 217 -0.357 -0.640 0.578 23ASN N 218 -0.451 -0.839 0.527 23ASN H 219 -0.503 -0.894 0.463 23ASN CA 220 -0.404 -0.895 0.654 23ASN CB 221 -0.472 -1.025 0.686 23ASN CG 222 -0.619 -1.011 0.726 23ASN OD1 223 -0.684 -1.128 0.724 23ASN ND2 224 -0.669 -0.904 0.758 23ASN HD21 225 -0.614 -0.821 0.759 23ASN HD22 226 -0.766 -0.900 0.784 23ASN C 227 -0.251 -0.914 0.640 23ASN O 228 -0.184 -0.894 0.745 24LEU N 229 -0.199 -0.951 0.527 24LEU H 230 -0.256 -0.967 0.446 24LEU CA 231 -0.045 -0.968 0.521 24LEU CB 232 -0.020 -1.015 0.380 24LEU CG 233 0.128 -1.048 0.355 24LEU CD1 234 0.176 -1.147 0.454 24LEU CD2 235 0.150 -1.101 0.208 24LEU C 236 0.017 -0.827 0.543 24LEU O 237 0.122 -0.826 0.598 25GLN N 238 -0.041 -0.720 0.491 25GLN H 239 -0.124 -0.733 0.436 25GLN CA 240 0.009 -0.588 0.510 25GLN CB 241 -0.081 -0.483 0.443 25GLN CG 242 -0.028 -0.340 0.449 25GLN CD 243 -0.092 -0.250 0.342 25GLN OE1 244 -0.040 -0.143 0.313 25GLN NE2 245 -0.203 -0.289 0.281 25GLN HE21 246 -0.245 -0.376 0.304 25GLN HE22 247 -0.244 -0.230 0.212 25GLN C 248 0.019 -0.554 0.658 25GLN O 249 0.126 -0.515 0.706 26GLN N 250 -0.086 -0.575 0.731 26GLN H 251 -0.170 -0.605 0.686 26GLN CA 252 -0.086 -0.556 0.876 26GLN CB 253 -0.227 -0.587 0.930 26GLN CG 254 -0.236 -0.575 1.082 26GLN CD 255 -0.233 -0.430 1.131 26GLN OE1 256 -0.241 -0.405 1.252 26GLN NE2 257 -0.222 -0.331 1.044 26GLN HE21 258 -0.216 -0.351 0.947 26GLN HE22 259 -0.221 -0.236 1.076 26GLN C 260 0.031 -0.629 0.940 26GLN O 261 0.101 -0.592 1.027 27TYR N 262 0.037 -0.763 0.916 27TYR H 263 -0.033 -0.802 0.856 27TYR CA 264 0.136 -0.852 0.970 27TYR CB 265 0.111 -0.995 0.912 27TYR CG 266 0.212 -1.099 0.959 27TYR CD1 267 0.312 -1.144 0.873 27TYR HD1 268 0.317 -1.109 0.779 27TYR CD2 269 0.204 -1.148 1.090 27TYR HD2 270 0.132 -1.117 1.151 27TYR CE1 271 0.406 -1.238 0.917 27TYR HE1 272 0.478 -1.270 0.855 27TYR CE2 273 0.298 -1.242 1.135 27TYR HE2 274 0.293 -1.278 1.228 27TYR CZ 275 0.400 -1.286 1.049 27TYR OH 276 0.493 -1.375 1.092 27TYR HH 277 0.474 -1.399 1.187 27TYR C 278 0.276 -0.804 0.936 27TYR O 279 0.362 -0.794 1.025 28LEU N 280 0.305 -0.774 0.817 28LEU H 281 0.234 -0.782 0.747 28LEU CA 282 0.434 -0.728 0.778 28LEU CB 283 0.461 -0.714 0.631 28LEU CG 284 0.449 -0.851 0.556 28LEU CD1 285 0.443 -0.825 0.397 28LEU CD2 286 0.576 -0.936 0.584 28LEU C 287 0.468 -0.591 0.848 28LEU O 288 0.589 -0.581 0.893 29ASN N 289 0.374 -0.499 0.853 29ASN H 290 0.286 -0.511 0.807 29ASN CA 291 0.406 -0.373 0.933 29ASN CB 292 0.275 -0.289 0.939 29ASN CG 293 0.258 -0.213 0.808 29ASN OD1 294 0.156 -0.147 0.790 29ASN ND2 295 0.354 -0.220 0.717 29ASN HD21 296 0.436 -0.275 0.735 29ASN HD22 297 0.345 -0.170 0.631 29ASN C 298 0.450 -0.408 1.075 29ASN O 299 0.525 -0.332 1.138 30VAL N 300 0.381 -0.504 1.146 30VAL H 301 0.309 -0.555 1.098 30VAL CA 302 0.407 -0.535 1.282 30VAL CB 303 0.296 -0.625 1.346 30VAL CG1 304 0.353 -0.659 1.495 30VAL CG2 305 0.168 -0.544 1.367 30VAL C 306 0.538 -0.603 1.295 30VAL O 307 0.627 -0.568 1.383 31VAL N 308 0.570 -0.697 1.204 31VAL H 309 0.507 -0.717 1.128 31VAL CA 310 0.700 -0.770 1.216 31VAL CB 311 0.684 -0.881 1.098 31VAL CG1 312 0.822 -0.944 1.076 31VAL CG2 313 0.584 -0.991 1.134 31VAL C 314 0.816 -0.678 1.196 31VAL O 315 0.930 -0.700 1.240 32THR N 316 0.804 -0.585 1.102 32THR H 317 0.720 -0.583 1.047 32THR CA 318 0.907 -0.486 1.074 32THR CB 319 0.883 -0.434 0.934 32THR OG1 320 0.776 -0.357 0.906 32THR HG1 321 0.778 -0.332 0.809 32THR CG2 322 0.961 -0.485 0.844 32THR C 323 0.897 -0.362 1.169 32THR O 324 0.988 -0.275 1.152 33ARG N 325 0.815 -0.360 1.267 33ARG H 326 0.756 -0.440 1.278 33ARG CA 327 0.799 -0.250 1.366 33ARG CB 328 0.924 -0.238 1.456 33ARG CG 329 0.971 -0.373 1.507 33ARG CD 330 1.087 -0.361 1.604 33ARG NE 331 1.055 -0.281 1.722 33ARG HE 332 1.080 -0.184 1.722 33ARG CZ 333 0.994 -0.331 1.830 33ARG NH1 334 0.957 -0.460 1.835 33ARG HH11 335 0.976 -0.520 1.758 33ARG HH12 336 0.912 -0.496 1.917 33ARG NH2 337 0.965 -0.258 1.939 33ARG HH21 338 0.989 -0.161 1.943 33ARG HH22 339 0.919 -0.301 2.017 33ARG C 340 0.779 -0.117 1.294 33ARG O 341 0.804 -0.009 1.351 34HIS N 342 0.703 -0.123 1.190 34HIS H 343 0.662 -0.210 1.162 34HIS CA 344 0.678 0.004 1.110 34HIS CB 345 0.759 -0.001 0.988 34HIS CG 346 0.761 0.129 0.910 34HIS ND1 347 0.695 0.143 0.788 34HIS CD2 348 0.820 0.249 0.936 34HIS HD2 349 0.875 0.271 1.016 34HIS CE1 350 0.714 0.267 0.745 34HIS HE1 351 0.678 0.305 0.660 34HIS NE2 352 0.788 0.331 0.833 34HIS HE2 353 0.817 0.426 0.825 34HIS C 354 0.529 0.016 1.080 34HIS O 355 0.484 -0.014 0.969 35ARG N 356 0.452 0.054 1.188 35ARG H 357 0.499 0.078 1.273 35ARG CA 358 0.311 0.062 1.185 35ARG CB 359 0.255 0.064 1.331 35ARG CG 360 0.285 -0.071 1.399 35ARG CD 361 0.248 -0.079 1.548 35ARG NE 362 0.331 -0.175 1.622 35ARG HE 363 0.430 -0.162 1.619 35ARG CZ 364 0.284 -0.277 1.694 35ARG NH1 365 0.152 -0.301 1.704 35ARG HH11 366 0.087 -0.241 1.656 35ARG HH12 367 0.119 -0.378 1.758 35ARG NH2 368 0.361 -0.363 1.762 35ARG HH21 369 0.461 -0.353 1.761 35ARG HH22 370 0.320 -0.438 1.814 35ARG C 371 0.264 0.188 1.113 35ARG O 372 0.145 0.223 1.117 36TYR N 373 0.336 0.261 1.044 36TYR H 374 0.435 0.265 1.063 36TYR CA 375 0.276 0.345 0.930 36TYR CB 376 0.402 0.433 0.879 36TYR CG 377 0.473 0.479 1.006 36TYR CD1 378 0.567 0.396 1.068 36TYR HD1 379 0.588 0.306 1.030 36TYR CD2 380 0.442 0.604 1.062 36TYR HD2 381 0.373 0.662 1.019 36TYR CE1 382 0.633 0.439 1.184 36TYR HE1 383 0.701 0.380 1.228 36TYR CE2 384 0.508 0.647 1.177 36TYR HE2 385 0.487 0.736 1.217 36TYR CZ 386 0.604 0.565 1.238 36TYR OH 387 0.670 0.609 1.349 36TYR HH 388 0.638 0.700 1.373 36TYR C 389 0.233 0.248 0.820 36TYR O1 390 0.317 0.172 0.767 36TYR O2 391 0.128 0.214 0.789 10 10 10 0.00000 0.00000 0.00000 0.00000 -0.74749 0.00000