REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1oqo_1_A DATA FIRST_RESID 237 DATA SEQUENCE GPSVFLFPPK PKDTLMISRT PEVTcVVVDV SHEDPEVKFN WYVDGVEVHN DATA SEQUENCE AKTKPREEQY NSTYRVVSVL TVLHQDWLNG KEYKcKVSNK ALPAPIEKTI DATA SEQUENCE SKAKGQPREP QVYTLPPSRD ELTKNQVSLT cLVKGFYPSD IAVEWESNGQ DATA SEQUENCE PENNYKTTPP VLDSDGSFFL YSKLTVDKSR WQQGNVFScS VMHEALHNHY DATA SEQUENCE TQKSLSLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 237 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 237 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 237 G C 0.000 174.888 174.900 -0.020 0.000 0.946 237 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 238 P HA 0.469 4.889 4.420 -0.000 0.000 0.272 238 P C -0.622 176.653 177.300 -0.042 0.000 1.223 238 P CA 0.176 63.264 63.100 -0.021 0.000 0.784 238 P CB 1.457 33.133 31.700 -0.041 0.000 0.923 239 S N 0.010 115.698 115.700 -0.020 0.000 2.607 239 S HA 0.608 5.077 4.470 -0.002 0.000 0.303 239 S C -0.307 174.183 174.600 -0.182 0.000 1.086 239 S CA -0.691 57.440 58.200 -0.116 0.000 0.995 239 S CB 1.585 64.751 63.200 -0.056 0.000 1.084 239 S HN 0.278 8.588 8.310 -0.000 0.000 0.507 240 V N 1.976 121.623 119.914 -0.446 0.000 2.735 240 V HA 0.626 4.744 4.120 -0.002 0.000 0.310 240 V C -1.572 174.045 176.094 -0.796 0.000 1.061 240 V CA -0.636 61.433 62.300 -0.386 0.000 0.913 240 V CB 1.294 32.979 31.823 -0.229 0.000 1.005 240 V HN 0.821 9.011 8.190 -0.000 0.000 0.428 241 F N 3.579 123.483 119.950 -0.076 0.000 2.539 241 F HA 0.583 5.109 4.527 -0.002 0.000 0.318 241 F C -0.309 175.210 175.800 -0.467 0.000 1.135 241 F CA -0.494 57.340 58.000 -0.277 0.000 0.915 241 F CB 1.789 40.637 39.000 -0.254 0.000 1.176 241 F HN 0.194 8.494 8.300 -0.000 0.000 0.440 242 L N 4.254 125.254 121.223 -0.373 0.000 2.296 242 L HA 0.565 4.903 4.340 -0.002 0.000 0.286 242 L C -1.332 175.263 176.870 -0.458 0.000 1.023 242 L CA -0.577 54.107 54.840 -0.260 0.000 0.812 242 L CB 1.131 43.165 42.059 -0.041 0.000 1.223 242 L HN 0.485 8.715 8.230 -0.000 0.000 0.421 243 F N 4.925 124.962 119.950 0.146 0.000 2.480 243 F HA 0.571 5.097 4.527 -0.002 0.000 0.329 243 F C -1.894 173.901 175.800 -0.009 0.000 1.091 243 F CA -2.305 55.736 58.000 0.069 0.000 0.972 243 F CB 1.169 40.187 39.000 0.030 0.000 1.150 243 F HN 0.325 8.625 8.300 -0.000 0.000 0.467 244 P HA 0.270 4.690 4.420 -0.000 0.000 0.278 244 P C -2.730 174.344 177.300 -0.377 0.000 1.266 244 P CA -1.665 61.302 63.100 -0.221 0.000 0.807 244 P CB 0.494 32.141 31.700 -0.088 0.000 1.094 245 P HA 0.143 4.563 4.420 -0.000 0.000 0.274 245 P C -0.371 176.669 177.300 -0.432 0.000 1.246 245 P CA -0.117 62.622 63.100 -0.602 0.000 0.795 245 P CB 0.398 31.603 31.700 -0.825 0.000 1.006 246 K N 1.968 122.185 120.400 -0.305 0.000 2.298 246 K HA 0.142 4.460 4.320 -0.002 0.000 0.280 246 K C -1.756 174.711 176.600 -0.222 0.000 1.032 246 K CA -1.568 54.592 56.287 -0.211 0.000 0.958 246 K CB -0.278 32.128 32.500 -0.156 0.000 0.978 246 K HN 0.240 8.490 8.250 -0.000 0.000 0.472 247 P HA -0.209 4.211 4.420 -0.000 0.000 0.216 247 P C 1.173 178.393 177.300 -0.133 0.000 1.154 247 P CA 1.482 64.491 63.100 -0.151 0.000 0.865 247 P CB 0.267 31.901 31.700 -0.111 0.000 0.789 248 K N -0.693 119.646 120.400 -0.102 0.000 2.148 248 K HA -0.143 4.175 4.320 -0.002 0.000 0.204 248 K C 1.453 178.020 176.600 -0.054 0.000 1.050 248 K CA 1.392 57.642 56.287 -0.062 0.000 0.942 248 K CB -0.287 32.189 32.500 -0.039 0.000 0.724 248 K HN 0.013 8.263 8.250 -0.000 0.000 0.446 249 D N -0.401 119.936 120.400 -0.104 0.000 2.149 249 D HA -0.113 4.526 4.640 -0.002 0.000 0.201 249 D C 1.840 178.070 176.300 -0.115 0.000 0.972 249 D CA 1.715 55.645 54.000 -0.117 0.000 0.835 249 D CB -0.258 40.422 40.800 -0.200 0.000 0.966 249 D HN 0.408 8.778 8.370 -0.000 0.000 0.476 250 T N -1.463 112.998 114.554 -0.156 0.000 3.055 250 T HA 0.035 4.384 4.350 -0.002 0.000 0.265 250 T C 2.122 176.903 174.700 0.135 0.000 1.111 250 T CA 0.396 62.447 62.100 -0.080 0.000 1.118 250 T CB -0.223 68.565 68.868 -0.134 0.000 0.909 250 T HN 0.104 8.344 8.240 -0.000 0.000 0.501 251 L N -0.598 120.653 121.223 0.047 0.000 2.298 251 L HA 0.394 4.732 4.340 -0.002 0.000 0.209 251 L C 1.174 178.182 176.870 0.230 0.000 1.084 251 L CA 0.382 55.247 54.840 0.042 0.000 0.816 251 L CB -0.162 41.827 42.059 -0.116 0.000 0.967 251 L HN 0.259 8.489 8.230 -0.000 0.000 0.460 252 M N 0.025 119.727 119.600 0.170 0.000 2.129 252 M HA 0.140 4.619 4.480 -0.002 0.000 0.348 252 M C 0.691 177.050 176.300 0.097 0.000 1.116 252 M CA -0.335 55.032 55.300 0.112 0.000 1.022 252 M CB 2.519 35.160 32.600 0.068 0.000 1.599 252 M HN -0.080 8.210 8.290 -0.000 0.000 0.449 253 I N 2.271 122.789 120.570 -0.086 0.000 2.756 253 I HA -0.177 3.992 4.170 -0.002 0.000 0.262 253 I C 1.845 177.919 176.117 -0.072 0.000 1.225 253 I CA 1.721 62.842 61.300 -0.298 0.000 1.472 253 I CB -0.019 37.820 38.000 -0.270 0.000 1.094 253 I HN 0.713 8.923 8.210 -0.000 0.000 0.454 254 S N 0.201 115.902 115.700 0.000 0.000 2.414 254 S HA 0.083 4.552 4.470 -0.002 0.000 0.227 254 S C 1.251 175.884 174.600 0.056 0.000 1.022 254 S CA 0.260 58.470 58.200 0.016 0.000 0.958 254 S CB -0.295 62.905 63.200 -0.002 0.000 0.797 254 S HN 0.330 8.640 8.310 -0.000 0.000 0.493 255 R N 1.521 122.082 120.500 0.102 0.000 2.583 255 R HA 0.421 4.759 4.340 -0.002 0.000 0.268 255 R C -0.625 175.727 176.300 0.086 0.000 1.101 255 R CA 0.139 56.281 56.100 0.069 0.000 1.180 255 R CB 0.199 30.518 30.300 0.032 0.000 1.128 255 R HN 0.073 8.343 8.270 -0.000 0.000 0.568 256 T N 3.887 118.414 114.554 -0.045 0.000 2.912 256 T HA 0.277 4.626 4.350 -0.002 0.000 0.326 256 T C -2.337 172.221 174.700 -0.236 0.000 1.080 256 T CA -1.394 60.628 62.100 -0.131 0.000 1.000 256 T CB 1.521 70.337 68.868 -0.086 0.000 1.008 256 T HN 0.377 8.617 8.240 -0.000 0.000 0.473 257 P HA 0.371 4.791 4.420 -0.000 0.000 0.278 257 P C -0.679 176.399 177.300 -0.370 0.000 1.238 257 P CA -0.442 62.413 63.100 -0.408 0.000 0.794 257 P CB 1.071 32.453 31.700 -0.528 0.000 0.955 258 E N 0.375 120.352 120.200 -0.372 0.000 2.413 258 E HA 0.557 4.906 4.350 -0.002 0.000 0.277 258 E C -1.320 175.059 176.600 -0.368 0.000 0.958 258 E CA -1.274 54.913 56.400 -0.355 0.000 0.779 258 E CB 1.565 31.106 29.700 -0.266 0.000 1.278 258 E HN 0.014 8.374 8.360 -0.000 0.000 0.456 259 V N 1.205 120.904 119.914 -0.358 0.000 2.513 259 V HA 0.443 4.562 4.120 -0.002 0.000 0.299 259 V C -0.549 175.534 176.094 -0.018 0.000 1.035 259 V CA -0.366 61.812 62.300 -0.202 0.000 0.889 259 V CB 1.880 33.573 31.823 -0.217 0.000 0.988 259 V HN 0.770 8.960 8.190 -0.000 0.000 0.440 260 T N 3.168 117.832 114.554 0.183 0.000 2.807 260 T HA 0.334 4.683 4.350 -0.002 0.000 0.279 260 T C -0.658 174.300 174.700 0.429 0.000 0.993 260 T CA -0.319 61.957 62.100 0.292 0.000 0.970 260 T CB 1.296 70.306 68.868 0.238 0.000 0.950 260 T HN 0.696 8.936 8.240 -0.000 0.000 0.441 261 c N 4.369 123.208 118.600 0.400 0.000 2.298 261 c HA 0.727 5.296 4.570 -0.002 0.000 0.323 261 c C -0.293 173.979 174.090 0.303 0.000 1.284 261 c CA -0.296 56.196 56.329 0.273 0.000 1.577 261 c CB -1.047 41.522 42.510 0.099 0.000 2.249 261 c HN 0.756 8.986 8.230 -0.000 0.000 0.497 262 V N 7.092 127.216 119.914 0.349 0.000 2.448 262 V HA 0.494 4.613 4.120 -0.002 0.000 0.295 262 V C -0.245 176.053 176.094 0.340 0.000 1.025 262 V CA -0.503 62.028 62.300 0.384 0.000 0.859 262 V CB 1.525 33.636 31.823 0.479 0.000 0.988 262 V HN 0.644 8.834 8.190 -0.000 0.000 0.431 263 V N 5.630 125.732 119.914 0.313 0.000 2.370 263 V HA 0.639 4.758 4.120 -0.002 0.000 0.283 263 V C 0.041 176.255 176.094 0.200 0.000 1.023 263 V CA -0.543 61.877 62.300 0.201 0.000 0.857 263 V CB 1.486 33.377 31.823 0.112 0.000 0.985 263 V HN 0.761 8.951 8.190 -0.000 0.000 0.443 264 V N 0.505 120.532 119.914 0.188 0.000 2.919 264 V HA 0.767 4.886 4.120 -0.002 0.000 0.316 264 V C -0.074 176.093 176.094 0.122 0.000 1.077 264 V CA -0.865 61.542 62.300 0.179 0.000 0.977 264 V CB 1.670 33.634 31.823 0.235 0.000 1.039 264 V HN 0.768 8.958 8.190 -0.000 0.000 0.441 265 D N -0.442 120.025 120.400 0.111 0.000 2.947 265 D HA -0.128 4.510 4.640 -0.002 0.000 0.224 265 D C -0.115 176.215 176.300 0.049 0.000 1.132 265 D CA 0.890 54.936 54.000 0.076 0.000 0.801 265 D CB -1.473 39.363 40.800 0.061 0.000 1.097 265 D HN 0.632 9.002 8.370 -0.000 0.000 0.431 266 V N 0.798 120.754 119.914 0.071 0.000 2.488 266 V HA 0.269 4.388 4.120 -0.002 0.000 0.277 266 V C 1.150 177.193 176.094 -0.085 0.000 1.046 266 V CA -0.195 62.094 62.300 -0.019 0.000 0.986 266 V CB 1.684 33.490 31.823 -0.028 0.000 0.989 266 V HN 0.348 8.538 8.190 -0.000 0.000 0.475 267 S N 3.126 118.758 115.700 -0.113 0.000 2.576 267 S HA 0.129 4.598 4.470 -0.002 0.000 0.276 267 S C 1.095 175.580 174.600 -0.193 0.000 1.339 267 S CA 0.046 58.187 58.200 -0.099 0.000 1.039 267 S CB 0.336 63.510 63.200 -0.044 0.000 0.902 267 S HN 0.797 9.107 8.310 -0.000 0.000 0.516 268 H N 1.900 120.904 119.070 -0.109 0.000 2.389 268 H HA -0.042 4.512 4.556 -0.002 0.000 0.299 268 H C 1.610 176.868 175.328 -0.118 0.000 1.081 268 H CA 1.898 57.870 56.048 -0.128 0.000 1.345 268 H CB 0.287 30.065 29.762 0.027 0.000 1.393 268 H HN 0.883 9.163 8.280 -0.000 0.000 0.520 269 E N -0.820 119.415 120.200 0.058 0.000 2.444 269 E HA 0.062 4.410 4.350 -0.002 0.000 0.191 269 E C -0.331 176.255 176.600 -0.024 0.000 1.041 269 E CA 0.133 56.540 56.400 0.011 0.000 0.883 269 E CB 0.742 30.451 29.700 0.016 0.000 1.024 269 E HN 0.153 8.513 8.360 -0.000 0.000 0.470 270 D N 0.480 120.847 120.400 -0.055 0.000 3.453 270 D HA 0.069 4.708 4.640 -0.002 0.000 0.312 270 D C -2.138 174.092 176.300 -0.117 0.000 1.349 270 D CA -1.092 52.866 54.000 -0.069 0.000 0.739 270 D CB 1.243 42.010 40.800 -0.055 0.000 1.312 270 D HN 0.056 8.426 8.370 -0.000 0.000 0.628 271 P HA 0.050 4.470 4.420 -0.000 0.000 0.245 271 P C 0.426 177.629 177.300 -0.161 0.000 1.203 271 P CA 0.167 63.123 63.100 -0.240 0.000 0.792 271 P CB 0.680 32.172 31.700 -0.347 0.000 0.997 272 E N 0.641 120.777 120.200 -0.106 0.000 2.328 272 E HA 0.211 4.559 4.350 -0.002 0.000 0.265 272 E C -0.781 175.759 176.600 -0.100 0.000 1.057 272 E CA -0.012 56.342 56.400 -0.077 0.000 0.916 272 E CB 0.101 29.768 29.700 -0.054 0.000 0.993 272 E HN -0.124 8.236 8.360 -0.000 0.000 0.446 273 V N 5.624 125.476 119.914 -0.103 0.000 2.604 273 V HA 0.425 4.544 4.120 -0.002 0.000 0.305 273 V C -0.123 175.847 176.094 -0.208 0.000 1.043 273 V CA -0.837 61.344 62.300 -0.198 0.000 0.888 273 V CB 1.897 33.566 31.823 -0.257 0.000 0.995 273 V HN 0.535 8.725 8.190 -0.000 0.000 0.429 274 K N 3.250 123.470 120.400 -0.300 0.000 2.443 274 K HA 0.617 4.936 4.320 -0.002 0.000 0.252 274 K C -1.919 174.493 176.600 -0.313 0.000 0.933 274 K CA -0.446 55.733 56.287 -0.181 0.000 0.792 274 K CB 1.892 34.351 32.500 -0.067 0.000 1.185 274 K HN 0.491 8.741 8.250 -0.000 0.000 0.425 275 F N 1.619 121.547 119.950 -0.036 0.000 2.458 275 F HA 0.420 4.946 4.527 -0.002 0.000 0.330 275 F C 0.089 175.812 175.800 -0.127 0.000 1.082 275 F CA -0.769 57.153 58.000 -0.130 0.000 0.995 275 F CB 1.557 40.478 39.000 -0.132 0.000 1.170 275 F HN 0.424 8.724 8.300 -0.000 0.000 0.478 276 N N 1.356 120.018 118.700 -0.063 0.000 2.295 276 N HA 0.436 5.175 4.740 -0.002 0.000 0.293 276 N C -1.912 173.355 175.510 -0.404 0.000 1.040 276 N CA -0.596 52.358 53.050 -0.160 0.000 0.840 276 N CB 1.417 39.877 38.487 -0.045 0.000 1.468 276 N HN 0.481 8.861 8.380 -0.000 0.000 0.478 277 W N 1.895 122.884 121.300 -0.518 0.000 2.689 277 W HA 0.548 5.207 4.660 -0.002 0.000 0.340 277 W C -0.927 175.122 176.519 -0.784 0.000 1.060 277 W CA -0.455 56.635 57.345 -0.425 0.000 1.218 277 W CB 1.076 30.435 29.460 -0.168 0.000 1.410 277 W HN 0.368 8.548 8.180 -0.000 0.000 0.528 278 Y N 1.011 121.482 120.300 0.286 0.000 2.470 278 Y HA 0.556 5.105 4.550 -0.002 0.000 0.341 278 Y C -0.566 175.373 175.900 0.064 0.000 1.021 278 Y CA -1.476 56.692 58.100 0.114 0.000 1.025 278 Y CB 1.409 39.899 38.460 0.049 0.000 1.266 278 Y HN -0.041 8.239 8.280 -0.000 0.000 0.448 279 V N 3.238 123.204 119.914 0.087 0.000 2.313 279 V HA 0.259 4.377 4.120 -0.002 0.000 0.278 279 V C -0.607 175.421 176.094 -0.109 0.000 1.017 279 V CA -0.784 61.419 62.300 -0.161 0.000 0.823 279 V CB 0.860 32.576 31.823 -0.178 0.000 1.010 279 V HN 0.918 9.108 8.190 -0.000 0.000 0.443 280 D N 4.735 125.051 120.400 -0.139 0.000 2.723 280 D HA -0.179 4.459 4.640 -0.002 0.000 0.236 280 D C 1.299 177.584 176.300 -0.025 0.000 1.138 280 D CA 1.924 55.873 54.000 -0.085 0.000 0.676 280 D CB -1.074 39.671 40.800 -0.091 0.000 1.069 280 D HN 1.229 9.599 8.370 -0.000 0.000 0.430 281 G N -2.421 106.386 108.800 0.013 0.000 2.383 281 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.229 281 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.229 281 G C 0.442 175.415 174.900 0.122 0.000 1.089 281 G CA 0.099 45.206 45.100 0.011 0.000 0.640 281 G HN 0.808 9.098 8.290 -0.000 0.000 0.510 282 V N 2.533 122.517 119.914 0.117 0.000 2.479 282 V HA 0.403 4.522 4.120 -0.002 0.000 0.281 282 V C 0.829 177.037 176.094 0.190 0.000 1.031 282 V CA 0.264 62.646 62.300 0.137 0.000 1.038 282 V CB 1.317 33.178 31.823 0.064 0.000 0.981 282 V HN 0.544 8.734 8.190 -0.000 0.000 0.478 283 E N 4.352 124.685 120.200 0.222 0.000 2.383 283 E HA 0.425 4.774 4.350 -0.002 0.000 0.264 283 E C -0.646 175.788 176.600 -0.278 0.000 1.050 283 E CA -0.465 55.872 56.400 -0.105 0.000 0.896 283 E CB 1.291 30.900 29.700 -0.152 0.000 0.982 283 E HN 0.643 9.003 8.360 -0.000 0.000 0.424 284 V N 1.795 121.455 119.914 -0.424 0.000 2.962 284 V HA 0.404 4.523 4.120 -0.002 0.000 0.313 284 V C -0.158 175.605 176.094 -0.551 0.000 1.099 284 V CA -0.750 61.312 62.300 -0.397 0.000 0.971 284 V CB 1.875 33.622 31.823 -0.127 0.000 1.028 284 V HN 0.854 9.044 8.190 -0.000 0.000 0.430 285 H N 1.657 120.732 119.070 0.008 0.000 2.649 285 H HA 0.283 4.838 4.556 -0.002 0.000 0.258 285 H C 0.070 175.398 175.328 -0.001 0.000 1.165 285 H CA -0.067 55.995 56.048 0.022 0.000 1.006 285 H CB 0.272 30.050 29.762 0.027 0.000 1.743 285 H HN 0.780 9.060 8.280 -0.000 0.000 0.609 286 N N 1.219 119.936 118.700 0.029 0.000 2.398 286 N HA 0.069 4.807 4.740 -0.002 0.000 0.188 286 N C 0.984 176.440 175.510 -0.089 0.000 1.122 286 N CA 0.017 53.056 53.050 -0.019 0.000 0.866 286 N CB 0.651 39.112 38.487 -0.043 0.000 0.970 286 N HN 0.156 8.536 8.380 -0.000 0.000 0.462 287 A N 1.376 124.113 122.820 -0.137 0.000 2.507 287 A HA 0.151 4.470 4.320 -0.002 0.000 0.235 287 A C 0.224 177.765 177.584 -0.072 0.000 1.070 287 A CA 0.298 52.207 52.037 -0.213 0.000 0.768 287 A CB 0.173 19.059 19.000 -0.191 0.000 1.011 287 A HN 0.172 8.322 8.150 -0.000 0.000 0.502 288 K N 0.811 121.153 120.400 -0.095 0.000 2.394 288 K HA 0.441 4.760 4.320 -0.002 0.000 0.260 288 K C -0.909 175.656 176.600 -0.058 0.000 0.967 288 K CA -0.013 56.242 56.287 -0.053 0.000 0.855 288 K CB 1.593 34.055 32.500 -0.063 0.000 1.101 288 K HN 0.683 8.933 8.250 -0.000 0.000 0.433 289 T N 3.426 117.965 114.554 -0.026 0.000 2.799 289 T HA 0.307 4.656 4.350 -0.002 0.000 0.286 289 T C -0.446 174.262 174.700 0.013 0.000 0.973 289 T CA -0.587 61.485 62.100 -0.047 0.000 1.035 289 T CB 0.778 69.662 68.868 0.028 0.000 0.932 289 T HN 0.260 8.500 8.240 -0.000 0.000 0.469 290 K N 4.008 124.416 120.400 0.014 0.000 2.174 290 K HA 0.360 4.679 4.320 -0.002 0.000 0.275 290 K C -2.225 174.425 176.600 0.085 0.000 1.015 290 K CA -1.918 54.394 56.287 0.042 0.000 0.933 290 K CB 0.450 32.968 32.500 0.029 0.000 1.025 290 K HN 0.310 8.560 8.250 -0.000 0.000 0.463 291 P HA -0.089 4.331 4.420 -0.000 0.000 0.260 291 P C -0.675 176.692 177.300 0.113 0.000 1.185 291 P CA 0.164 63.321 63.100 0.094 0.000 0.763 291 P CB 0.268 32.009 31.700 0.069 0.000 0.776 292 R N 1.990 122.587 120.500 0.162 0.000 2.829 292 R HA 0.127 4.465 4.340 -0.002 0.000 0.267 292 R C -0.136 176.231 176.300 0.112 0.000 0.985 292 R CA 0.122 56.343 56.100 0.201 0.000 1.128 292 R CB -0.042 30.477 30.300 0.366 0.000 1.010 292 R HN 0.276 8.546 8.270 -0.000 0.000 0.449 293 E N 0.790 121.006 120.200 0.026 0.000 2.302 293 E HA 0.131 4.480 4.350 -0.002 0.000 0.263 293 E C -1.449 174.965 176.600 -0.310 0.000 0.897 293 E CA -0.440 55.904 56.400 -0.092 0.000 0.809 293 E CB 1.416 31.097 29.700 -0.032 0.000 1.270 293 E HN 0.548 8.908 8.360 -0.000 0.000 0.410 294 E N 2.869 122.765 120.200 -0.507 0.000 2.498 294 E HA -0.036 4.312 4.350 -0.002 0.000 0.252 294 E C -0.066 176.341 176.600 -0.322 0.000 1.025 294 E CA 0.114 56.082 56.400 -0.721 0.000 0.938 294 E CB 0.475 29.892 29.700 -0.471 0.000 0.947 294 E HN 0.281 8.641 8.360 -0.000 0.000 0.478 295 Q N 1.906 121.542 119.800 -0.274 0.000 2.327 295 Q HA -0.048 4.291 4.340 -0.002 0.000 0.254 295 Q C 0.613 176.592 176.000 -0.035 0.000 0.952 295 Q CA 0.061 55.813 55.803 -0.086 0.000 0.884 295 Q CB 0.432 29.146 28.738 -0.040 0.000 1.224 295 Q HN 0.664 8.934 8.270 -0.000 0.000 0.422 296 Y N 3.741 124.004 120.300 -0.061 0.000 2.425 296 Y HA -0.279 4.270 4.550 -0.002 0.000 0.285 296 Y C 1.005 176.892 175.900 -0.022 0.000 1.170 296 Y CA 2.080 60.158 58.100 -0.037 0.000 1.304 296 Y CB 0.071 38.514 38.460 -0.028 0.000 0.972 296 Y HN 0.642 8.922 8.280 -0.000 0.000 0.558 297 N N -0.951 117.570 118.700 -0.298 0.000 2.268 297 N HA 0.020 4.759 4.740 -0.002 0.000 0.204 297 N C 0.069 175.467 175.510 -0.186 0.000 1.124 297 N CA 0.661 53.508 53.050 -0.340 0.000 0.838 297 N CB -0.130 38.274 38.487 -0.138 0.000 0.994 297 N HN 0.201 8.581 8.380 -0.000 0.000 0.489 298 S N -1.532 114.080 115.700 -0.148 0.000 3.695 298 S HA -0.159 4.309 4.470 -0.002 0.000 0.310 298 S C 0.231 174.814 174.600 -0.028 0.000 1.166 298 S CA 1.065 59.228 58.200 -0.061 0.000 0.882 298 S CB -2.170 61.010 63.200 -0.033 0.000 0.949 298 S HN 0.937 9.247 8.310 -0.000 0.000 0.540 299 T N -2.358 112.166 114.554 -0.051 0.000 2.633 299 T HA 0.846 5.194 4.350 -0.002 0.000 0.262 299 T C -0.547 174.171 174.700 0.030 0.000 0.920 299 T CA -0.633 61.487 62.100 0.034 0.000 1.062 299 T CB 1.268 70.161 68.868 0.042 0.000 1.390 299 T HN 0.084 8.324 8.240 -0.000 0.000 0.549 300 Y N -0.581 119.672 120.300 -0.079 0.000 2.773 300 Y HA 0.825 5.374 4.550 -0.002 0.000 0.323 300 Y C 0.227 176.134 175.900 0.012 0.000 1.183 300 Y CA -1.296 56.773 58.100 -0.053 0.000 1.144 300 Y CB 1.921 40.337 38.460 -0.073 0.000 1.340 300 Y HN 0.763 9.043 8.280 -0.000 0.000 0.531 301 R N 1.117 121.732 120.500 0.192 0.000 2.542 301 R HA 0.620 4.959 4.340 -0.002 0.000 0.284 301 R C -2.571 173.850 176.300 0.201 0.000 1.167 301 R CA -0.361 55.837 56.100 0.164 0.000 1.000 301 R CB 1.363 31.719 30.300 0.095 0.000 1.229 301 R HN 0.476 8.746 8.270 -0.000 0.000 0.416 302 V N 3.874 123.933 119.914 0.243 0.000 2.604 302 V HA 0.645 4.763 4.120 -0.002 0.000 0.305 302 V C -0.450 175.853 176.094 0.349 0.000 1.043 302 V CA -0.838 61.644 62.300 0.303 0.000 0.888 302 V CB 2.070 34.109 31.823 0.361 0.000 0.995 302 V HN 0.419 8.609 8.190 -0.000 0.000 0.429 303 V N 2.382 122.436 119.914 0.233 0.000 2.709 303 V HA 0.673 4.791 4.120 -0.002 0.000 0.308 303 V C -0.233 175.778 176.094 -0.139 0.000 1.062 303 V CA -0.302 62.061 62.300 0.106 0.000 0.901 303 V CB 2.190 34.069 31.823 0.092 0.000 1.003 303 V HN 0.920 9.110 8.190 -0.000 0.000 0.425 304 S N 2.905 118.376 115.700 -0.381 0.000 2.536 304 S HA 0.859 5.327 4.470 -0.002 0.000 0.298 304 S C -1.176 173.402 174.600 -0.036 0.000 1.083 304 S CA -0.456 57.484 58.200 -0.433 0.000 0.995 304 S CB 1.798 64.382 63.200 -1.027 0.000 1.058 304 S HN 0.517 8.827 8.310 -0.000 0.000 0.488 305 V N 4.717 124.592 119.914 -0.065 0.000 2.482 305 V HA 0.506 4.624 4.120 -0.002 0.000 0.295 305 V C -0.863 175.025 176.094 -0.343 0.000 1.026 305 V CA -0.720 61.505 62.300 -0.124 0.000 0.856 305 V CB 1.331 33.085 31.823 -0.114 0.000 1.001 305 V HN 0.790 8.980 8.190 -0.000 0.000 0.424 306 L N 4.607 125.434 121.223 -0.661 0.000 2.265 306 L HA 0.589 4.928 4.340 -0.002 0.000 0.289 306 L C 0.503 177.057 176.870 -0.528 0.000 1.033 306 L CA 0.680 55.001 54.840 -0.866 0.000 0.814 306 L CB 1.574 42.642 42.059 -1.651 0.000 1.203 306 L HN 0.689 8.919 8.230 -0.000 0.000 0.423 307 T N 4.717 119.056 114.554 -0.359 0.000 2.901 307 T HA 0.463 4.812 4.350 -0.002 0.000 0.301 307 T C -0.243 174.315 174.700 -0.237 0.000 1.012 307 T CA 0.195 62.137 62.100 -0.263 0.000 1.135 307 T CB 0.596 69.357 68.868 -0.179 0.000 0.936 307 T HN 0.583 8.823 8.240 -0.000 0.000 0.539 308 V N 2.670 122.442 119.914 -0.237 0.000 3.074 308 V HA 0.745 4.864 4.120 -0.002 0.000 0.314 308 V C -0.987 175.058 176.094 -0.081 0.000 1.117 308 V CA -1.282 60.935 62.300 -0.139 0.000 1.014 308 V CB 1.741 33.407 31.823 -0.262 0.000 1.057 308 V HN 0.517 8.707 8.190 -0.000 0.000 0.438 309 L N 2.728 123.990 121.223 0.065 0.000 2.319 309 L HA 0.481 4.819 4.340 -0.002 0.000 0.280 309 L C 1.312 178.287 176.870 0.176 0.000 1.099 309 L CA 0.418 55.340 54.840 0.138 0.000 0.828 309 L CB 0.229 42.385 42.059 0.161 0.000 1.150 309 L HN 0.889 9.119 8.230 -0.000 0.000 0.442 310 H N 1.356 120.471 119.070 0.075 0.000 2.265 310 H HA -0.260 4.295 4.556 -0.002 0.000 0.293 310 H C 1.599 177.022 175.328 0.159 0.000 1.089 310 H CA 2.337 58.445 56.048 0.099 0.000 1.244 310 H CB -0.206 29.599 29.762 0.071 0.000 1.355 310 H HN 0.655 8.935 8.280 -0.000 0.000 0.485 311 Q N 0.445 120.409 119.800 0.273 0.000 2.112 311 Q HA -0.153 4.186 4.340 -0.002 0.000 0.206 311 Q C 1.752 177.859 176.000 0.178 0.000 0.987 311 Q CA 1.698 57.614 55.803 0.188 0.000 0.858 311 Q CB -0.138 28.679 28.738 0.131 0.000 0.905 311 Q HN 0.491 8.761 8.270 -0.000 0.000 0.420 312 D N -0.430 120.095 120.400 0.207 0.000 2.097 312 D HA -0.161 4.477 4.640 -0.002 0.000 0.195 312 D C 1.265 177.727 176.300 0.269 0.000 0.989 312 D CA 0.854 54.983 54.000 0.216 0.000 0.827 312 D CB -0.411 40.554 40.800 0.276 0.000 0.966 312 D HN 0.392 8.762 8.370 -0.000 0.000 0.456 313 W N 1.371 122.773 121.300 0.171 0.000 2.378 313 W HA -0.096 4.562 4.660 -0.003 0.000 0.313 313 W C 1.777 178.350 176.519 0.091 0.000 1.197 313 W CA 0.647 58.077 57.345 0.142 0.000 1.304 313 W CB -0.492 28.966 29.460 -0.002 0.000 1.148 313 W HN -0.045 8.135 8.180 -0.000 0.000 0.494 314 L N 1.251 122.613 121.223 0.233 0.000 2.187 314 L HA -0.240 4.099 4.340 -0.002 0.000 0.213 314 L C 1.470 178.348 176.870 0.013 0.000 1.100 314 L CA 1.164 56.072 54.840 0.113 0.000 0.765 314 L CB -0.828 41.333 42.059 0.171 0.000 0.904 314 L HN -0.014 8.216 8.230 -0.000 0.000 0.437 315 N N -0.250 118.462 118.700 0.020 0.000 2.270 315 N HA 0.083 4.821 4.740 -0.002 0.000 0.198 315 N C 1.193 176.671 175.510 -0.053 0.000 1.117 315 N CA 0.892 53.942 53.050 0.000 0.000 0.845 315 N CB 1.031 39.537 38.487 0.032 0.000 0.980 315 N HN 0.356 8.736 8.380 -0.000 0.000 0.486 316 G N 0.683 109.399 108.800 -0.140 0.000 2.157 316 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.239 316 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.239 316 G C 0.212 175.019 174.900 -0.155 0.000 0.982 316 G CA -0.156 44.834 45.100 -0.184 0.000 0.650 316 G HN 0.241 8.531 8.290 -0.000 0.000 0.527 317 K N 0.920 121.260 120.400 -0.100 0.000 2.485 317 K HA 0.426 4.745 4.320 -0.002 0.000 0.277 317 K C 0.543 177.025 176.600 -0.197 0.000 0.990 317 K CA 0.360 56.563 56.287 -0.140 0.000 0.994 317 K CB 0.342 32.760 32.500 -0.136 0.000 0.906 317 K HN 0.422 8.672 8.250 -0.000 0.000 0.488 318 E N 1.989 122.038 120.200 -0.253 0.000 2.197 318 E HA 0.190 4.539 4.350 -0.002 0.000 0.281 318 E C -1.204 175.240 176.600 -0.260 0.000 0.995 318 E CA -0.492 55.826 56.400 -0.138 0.000 0.808 318 E CB 0.620 30.282 29.700 -0.065 0.000 1.093 318 E HN 0.333 8.693 8.360 -0.000 0.000 0.394 319 Y N 2.408 122.820 120.300 0.187 0.000 2.328 319 Y HA 0.328 4.877 4.550 -0.002 0.000 0.337 319 Y C 0.199 176.278 175.900 0.298 0.000 0.966 319 Y CA -0.716 57.561 58.100 0.294 0.000 1.136 319 Y CB 1.240 39.923 38.460 0.372 0.000 1.170 319 Y HN 0.209 8.489 8.280 -0.000 0.000 0.470 320 K N 3.061 123.708 120.400 0.411 0.000 2.270 320 K HA 0.629 4.948 4.320 -0.002 0.000 0.255 320 K C -1.432 175.277 176.600 0.180 0.000 0.936 320 K CA -0.571 55.881 56.287 0.275 0.000 0.809 320 K CB 1.519 34.148 32.500 0.215 0.000 1.131 320 K HN 0.835 9.085 8.250 -0.000 0.000 0.427 321 c N 4.643 123.182 118.600 -0.102 0.000 2.351 321 c HA 0.516 5.085 4.570 -0.002 0.000 0.326 321 c C -0.860 173.095 174.090 -0.226 0.000 1.272 321 c CA -0.668 55.346 56.329 -0.526 0.000 1.650 321 c CB 0.373 42.432 42.510 -0.752 0.000 2.257 321 c HN 0.806 9.036 8.230 -0.000 0.000 0.505 322 K N 5.017 125.308 120.400 -0.183 0.000 2.358 322 K HA 0.645 4.964 4.320 -0.002 0.000 0.260 322 K C -1.402 175.106 176.600 -0.152 0.000 0.956 322 K CA -0.336 55.906 56.287 -0.074 0.000 0.834 322 K CB 1.794 34.352 32.500 0.096 0.000 1.102 322 K HN 0.645 8.895 8.250 -0.000 0.000 0.431 323 V N 2.788 122.587 119.914 -0.192 0.000 2.384 323 V HA 0.315 4.434 4.120 -0.002 0.000 0.287 323 V C -0.432 175.525 176.094 -0.228 0.000 1.020 323 V CA -0.804 61.307 62.300 -0.314 0.000 0.850 323 V CB 1.625 33.236 31.823 -0.354 0.000 0.987 323 V HN 0.715 8.905 8.190 -0.000 0.000 0.436 324 S N 5.115 120.677 115.700 -0.230 0.000 2.449 324 S HA 0.545 5.013 4.470 -0.002 0.000 0.310 324 S C -0.402 174.103 174.600 -0.159 0.000 1.096 324 S CA -0.742 57.367 58.200 -0.151 0.000 1.095 324 S CB 0.959 64.099 63.200 -0.100 0.000 1.007 324 S HN 0.836 9.146 8.310 -0.000 0.000 0.474 325 N N 1.530 120.154 118.700 -0.126 0.000 2.336 325 N HA 0.162 4.901 4.740 -0.002 0.000 0.290 325 N C 0.038 175.499 175.510 -0.082 0.000 1.058 325 N CA -0.586 52.396 53.050 -0.113 0.000 0.865 325 N CB 1.122 39.535 38.487 -0.123 0.000 1.581 325 N HN 0.231 8.611 8.380 -0.000 0.000 0.480 326 K N 1.557 121.916 120.400 -0.069 0.000 2.228 326 K HA -0.122 4.197 4.320 -0.002 0.000 0.205 326 K C 1.453 178.024 176.600 -0.049 0.000 1.045 326 K CA 1.730 57.986 56.287 -0.053 0.000 0.931 326 K CB -0.107 32.365 32.500 -0.046 0.000 0.727 326 K HN 0.534 8.784 8.250 -0.000 0.000 0.458 327 A N 0.355 123.142 122.820 -0.054 0.000 2.276 327 A HA 0.137 4.456 4.320 -0.002 0.000 0.212 327 A C -0.172 177.384 177.584 -0.047 0.000 1.230 327 A CA 0.099 52.108 52.037 -0.046 0.000 0.844 327 A CB -0.087 18.885 19.000 -0.046 0.000 0.860 327 A HN 0.065 8.215 8.150 -0.000 0.000 0.486 328 L N 0.029 121.220 121.223 -0.053 0.000 2.365 328 L HA 0.447 4.786 4.340 -0.002 0.000 0.273 328 L C -1.299 175.544 176.870 -0.046 0.000 1.000 328 L CA -1.840 52.968 54.840 -0.053 0.000 0.819 328 L CB 1.623 43.641 42.059 -0.068 0.000 1.284 328 L HN -0.003 8.227 8.230 -0.000 0.000 0.418 329 P HA -0.002 4.418 4.420 -0.000 0.000 0.216 329 P C -0.247 177.031 177.300 -0.037 0.000 1.153 329 P CA 0.839 63.918 63.100 -0.035 0.000 0.848 329 P CB 0.626 32.306 31.700 -0.032 0.000 0.787 330 A N -0.979 121.815 122.820 -0.044 0.000 2.572 330 A HA 0.647 4.965 4.320 -0.002 0.000 0.295 330 A C -2.974 174.576 177.584 -0.057 0.000 1.072 330 A CA -1.670 50.340 52.037 -0.045 0.000 0.691 330 A CB 0.576 19.551 19.000 -0.042 0.000 1.291 330 A HN -0.162 7.988 8.150 -0.000 0.000 0.404 331 P HA 0.280 4.700 4.420 -0.000 0.000 0.268 331 P C -0.644 176.607 177.300 -0.081 0.000 1.208 331 P CA 0.203 63.258 63.100 -0.075 0.000 0.777 331 P CB 0.300 31.962 31.700 -0.063 0.000 0.875 332 I N 1.912 122.421 120.570 -0.102 0.000 2.440 332 I HA 0.215 4.383 4.170 -0.002 0.000 0.294 332 I C 0.804 176.858 176.117 -0.105 0.000 0.995 332 I CA -0.115 61.120 61.300 -0.109 0.000 1.306 332 I CB 0.676 38.594 38.000 -0.135 0.000 1.407 332 I HN 0.244 8.454 8.210 -0.000 0.000 0.501 333 E N 5.280 125.423 120.200 -0.095 0.000 2.234 333 E HA 0.487 4.836 4.350 -0.002 0.000 0.266 333 E C -1.215 175.337 176.600 -0.080 0.000 0.877 333 E CA -0.962 55.390 56.400 -0.079 0.000 0.758 333 E CB 2.636 32.297 29.700 -0.065 0.000 1.170 333 E HN 0.291 8.651 8.360 -0.000 0.000 0.415 334 K N 1.053 121.409 120.400 -0.073 0.000 2.427 334 K HA 0.511 4.830 4.320 -0.002 0.000 0.252 334 K C -1.275 175.330 176.600 0.009 0.000 0.931 334 K CA -0.372 55.882 56.287 -0.056 0.000 0.793 334 K CB 2.239 34.681 32.500 -0.097 0.000 1.211 334 K HN 0.322 8.572 8.250 -0.000 0.000 0.426 335 T N 2.887 117.463 114.554 0.038 0.000 2.906 335 T HA 0.764 5.113 4.350 -0.002 0.000 0.295 335 T C -0.928 173.851 174.700 0.131 0.000 1.061 335 T CA -0.764 61.397 62.100 0.101 0.000 1.000 335 T CB 0.761 69.668 68.868 0.065 0.000 1.103 335 T HN 0.605 8.845 8.240 -0.000 0.000 0.486 336 I N -0.812 119.889 120.570 0.219 0.000 2.918 336 I HA 0.876 5.044 4.170 -0.002 0.000 0.301 336 I C -0.772 175.507 176.117 0.270 0.000 1.312 336 I CA -0.807 60.640 61.300 0.244 0.000 1.007 336 I CB 2.398 40.588 38.000 0.318 0.000 1.281 336 I HN 0.750 8.960 8.210 -0.000 0.000 0.440 337 S N 2.389 118.137 115.700 0.080 0.000 2.688 337 S HA 0.509 4.977 4.470 -0.002 0.000 0.275 337 S C -1.105 173.155 174.600 -0.566 0.000 1.175 337 S CA -1.107 56.905 58.200 -0.313 0.000 0.818 337 S CB 1.565 64.649 63.200 -0.193 0.000 1.157 337 S HN 0.927 9.237 8.310 -0.000 0.000 0.482 338 K N 0.648 120.447 120.400 -1.002 0.000 2.326 338 K HA 0.541 4.860 4.320 -0.002 0.000 0.275 338 K C 0.484 176.969 176.600 -0.192 0.000 1.018 338 K CA -0.161 55.772 56.287 -0.590 0.000 0.962 338 K CB 0.538 32.604 32.500 -0.724 0.000 0.953 338 K HN 0.860 9.110 8.250 -0.000 0.000 0.475 339 A N 4.208 127.006 122.820 -0.037 0.000 2.587 339 A HA -0.014 4.305 4.320 -0.002 0.000 0.233 339 A C -0.289 177.368 177.584 0.122 0.000 1.049 339 A CA 0.385 52.456 52.037 0.057 0.000 0.754 339 A CB 0.137 19.164 19.000 0.045 0.000 0.977 339 A HN 0.610 8.760 8.150 -0.000 0.000 0.509 340 K N 0.870 121.361 120.400 0.151 0.000 2.174 340 K HA 0.635 4.954 4.320 -0.002 0.000 0.275 340 K C 0.334 177.053 176.600 0.199 0.000 1.015 340 K CA 0.716 57.080 56.287 0.129 0.000 0.933 340 K CB 1.093 33.630 32.500 0.061 0.000 1.025 340 K HN 1.558 9.808 8.250 -0.000 0.000 0.463 341 G N 1.106 109.977 108.800 0.118 0.000 2.312 341 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.347 341 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.347 341 G C -1.438 173.467 174.900 0.007 0.000 1.564 341 G CA -0.912 44.160 45.100 -0.048 0.000 0.981 341 G HN 0.340 8.630 8.290 -0.000 0.000 0.678 342 Q N 0.608 120.363 119.800 -0.076 0.000 2.297 342 Q HA 0.279 4.617 4.340 -0.002 0.000 0.267 342 Q C -1.988 174.080 176.000 0.112 0.000 1.006 342 Q CA -1.098 54.718 55.803 0.021 0.000 0.896 342 Q CB 1.057 29.793 28.738 -0.004 0.000 1.186 342 Q HN 0.282 8.552 8.270 -0.000 0.000 0.392 343 P HA 0.078 4.498 4.420 -0.000 0.000 0.268 343 P C -0.983 176.482 177.300 0.275 0.000 1.205 343 P CA 0.382 63.683 63.100 0.335 0.000 0.771 343 P CB 0.548 32.411 31.700 0.271 0.000 0.858 344 R N 1.533 122.237 120.500 0.341 0.000 2.534 344 R HA 0.299 4.637 4.340 -0.002 0.000 0.301 344 R C -0.080 176.332 176.300 0.186 0.000 0.961 344 R CA -0.834 55.398 56.100 0.221 0.000 0.871 344 R CB 1.806 32.223 30.300 0.196 0.000 1.170 344 R HN 0.485 8.755 8.270 -0.000 0.000 0.446 345 E N 5.016 125.290 120.200 0.122 0.000 2.417 345 E HA 0.057 4.405 4.350 -0.002 0.000 0.261 345 E C -1.923 174.675 176.600 -0.003 0.000 1.000 345 E CA -1.543 54.892 56.400 0.059 0.000 0.919 345 E CB 0.716 30.453 29.700 0.061 0.000 0.955 345 E HN 0.240 8.600 8.360 -0.000 0.000 0.455 346 P HA 0.066 4.486 4.420 -0.000 0.000 0.279 346 P C -1.340 175.875 177.300 -0.143 0.000 1.239 346 P CA -0.146 62.904 63.100 -0.083 0.000 0.789 346 P CB 0.862 32.388 31.700 -0.290 0.000 0.933 347 Q N 0.895 120.591 119.800 -0.174 0.000 2.293 347 Q HA 0.476 4.815 4.340 -0.002 0.000 0.261 347 Q C -0.666 174.954 176.000 -0.633 0.000 0.960 347 Q CA -0.813 54.752 55.803 -0.398 0.000 0.882 347 Q CB 1.811 30.306 28.738 -0.404 0.000 1.275 347 Q HN 0.204 8.474 8.270 -0.000 0.000 0.445 348 V N 3.355 122.870 119.914 -0.665 0.000 2.398 348 V HA 0.412 4.531 4.120 -0.002 0.000 0.286 348 V C -1.160 174.595 176.094 -0.565 0.000 1.026 348 V CA -0.730 61.250 62.300 -0.533 0.000 0.868 348 V CB 0.392 32.005 31.823 -0.350 0.000 0.982 348 V HN 0.624 8.814 8.190 -0.000 0.000 0.443 349 Y N 1.968 122.229 120.300 -0.065 0.000 2.327 349 Y HA 0.492 5.039 4.550 -0.004 0.000 0.325 349 Y C 0.636 176.541 175.900 0.009 0.000 0.999 349 Y CA -1.119 56.968 58.100 -0.022 0.000 1.195 349 Y CB 1.869 40.323 38.460 -0.011 0.000 1.132 349 Y HN 0.725 9.005 8.280 -0.000 0.000 0.455 350 T N 2.338 116.999 114.554 0.179 0.000 2.889 350 T HA 0.808 5.157 4.350 -0.002 0.000 0.291 350 T C -0.523 174.292 174.700 0.192 0.000 0.995 350 T CA -0.619 61.588 62.100 0.177 0.000 1.092 350 T CB 0.636 69.609 68.868 0.174 0.000 0.954 350 T HN 0.477 8.717 8.240 -0.000 0.000 0.506 351 L N 3.727 125.062 121.223 0.186 0.000 2.410 351 L HA 0.556 4.895 4.340 -0.002 0.000 0.270 351 L C -2.391 174.515 176.870 0.059 0.000 0.983 351 L CA -2.581 52.337 54.840 0.131 0.000 0.822 351 L CB 2.311 44.446 42.059 0.125 0.000 1.285 351 L HN 0.462 8.692 8.230 -0.000 0.000 0.409 352 P HA 0.280 4.700 4.420 -0.000 0.000 0.274 352 P C -2.612 174.568 177.300 -0.200 0.000 1.256 352 P CA -1.344 61.679 63.100 -0.129 0.000 0.795 352 P CB -0.311 31.477 31.700 0.147 0.000 1.038 353 P HA -0.028 4.392 4.420 -0.000 0.000 0.271 353 P C 0.237 177.462 177.300 -0.124 0.000 1.233 353 P CA 0.178 63.103 63.100 -0.291 0.000 0.795 353 P CB 0.103 31.557 31.700 -0.411 0.000 0.936 354 S N -0.031 115.613 115.700 -0.093 0.000 2.584 354 S HA 0.131 4.599 4.470 -0.002 0.000 0.273 354 S C 1.501 176.087 174.600 -0.022 0.000 1.311 354 S CA -0.518 57.657 58.200 -0.042 0.000 1.034 354 S CB 0.244 63.419 63.200 -0.042 0.000 0.939 354 S HN 0.380 8.690 8.310 -0.000 0.000 0.513 355 R N 1.799 122.302 120.500 0.005 0.000 2.112 355 R HA -0.148 4.191 4.340 -0.002 0.000 0.242 355 R C 1.028 177.332 176.300 0.008 0.000 1.137 355 R CA 2.454 58.567 56.100 0.021 0.000 0.944 355 R CB -0.562 29.753 30.300 0.025 0.000 0.857 355 R HN 0.729 8.999 8.270 -0.000 0.000 0.435 356 D N -0.111 120.287 120.400 -0.003 0.000 2.280 356 D HA -0.188 4.451 4.640 -0.002 0.000 0.206 356 D C 1.457 177.747 176.300 -0.017 0.000 0.988 356 D CA 1.110 55.105 54.000 -0.009 0.000 0.886 356 D CB -0.093 40.699 40.800 -0.014 0.000 0.914 356 D HN 0.433 8.803 8.370 -0.000 0.000 0.473 357 E N -0.384 119.798 120.200 -0.030 0.000 2.442 357 E HA 0.025 4.373 4.350 -0.002 0.000 0.195 357 E C 1.829 178.408 176.600 -0.034 0.000 1.030 357 E CA -0.129 56.243 56.400 -0.045 0.000 0.869 357 E CB 0.129 29.782 29.700 -0.079 0.000 0.857 357 E HN 0.267 8.627 8.360 -0.000 0.000 0.505 358 L N 0.402 121.619 121.223 -0.010 0.000 2.456 358 L HA -0.089 4.250 4.340 -0.002 0.000 0.224 358 L C 2.464 179.347 176.870 0.021 0.000 1.148 358 L CA 0.961 55.814 54.840 0.022 0.000 0.825 358 L CB -0.139 41.956 42.059 0.059 0.000 0.937 358 L HN 0.122 8.352 8.230 -0.000 0.000 0.450 359 T N -0.734 113.824 114.554 0.007 0.000 3.113 359 T HA -0.027 4.322 4.350 -0.002 0.000 0.263 359 T C 0.937 175.637 174.700 0.001 0.000 1.143 359 T CA 0.317 62.421 62.100 0.007 0.000 1.090 359 T CB -0.031 68.837 68.868 0.001 0.000 0.922 359 T HN 0.104 8.344 8.240 -0.000 0.000 0.521 360 K N 0.762 121.158 120.400 -0.006 0.000 2.168 360 K HA 0.354 4.672 4.320 -0.002 0.000 0.239 360 K C 0.585 177.181 176.600 -0.006 0.000 0.999 360 K CA -0.690 55.589 56.287 -0.013 0.000 0.900 360 K CB 0.649 33.132 32.500 -0.029 0.000 1.111 360 K HN 0.054 8.304 8.250 -0.000 0.000 0.452 361 N N -0.069 118.625 118.700 -0.010 0.000 2.409 361 N HA -0.090 4.648 4.740 -0.002 0.000 0.179 361 N C -0.209 175.294 175.510 -0.011 0.000 1.032 361 N CA 0.732 53.780 53.050 -0.003 0.000 0.898 361 N CB 0.393 38.877 38.487 -0.005 0.000 0.971 361 N HN 0.311 8.691 8.380 -0.000 0.000 0.441 362 Q N 0.632 120.412 119.800 -0.033 0.000 2.397 362 Q HA 0.461 4.800 4.340 -0.002 0.000 0.275 362 Q C -1.207 174.737 176.000 -0.092 0.000 1.090 362 Q CA -0.774 54.995 55.803 -0.058 0.000 0.809 362 Q CB 3.141 31.841 28.738 -0.064 0.000 1.362 362 Q HN -0.047 8.223 8.270 -0.000 0.000 0.431 363 V N -1.519 118.308 119.914 -0.145 0.000 2.864 363 V HA 0.709 4.828 4.120 -0.002 0.000 0.314 363 V C -0.438 175.478 176.094 -0.297 0.000 1.073 363 V CA -0.779 61.390 62.300 -0.218 0.000 0.956 363 V CB 2.057 33.710 31.823 -0.284 0.000 1.023 363 V HN 0.698 8.888 8.190 -0.000 0.000 0.435 364 S N 4.093 119.618 115.700 -0.292 0.000 2.457 364 S HA 0.683 5.152 4.470 -0.002 0.000 0.289 364 S C -0.369 173.999 174.600 -0.387 0.000 1.163 364 S CA -0.525 57.495 58.200 -0.300 0.000 1.078 364 S CB 0.749 63.833 63.200 -0.193 0.000 0.987 364 S HN 0.663 8.973 8.310 -0.000 0.000 0.482 365 L N 3.537 124.484 121.223 -0.461 0.000 2.272 365 L HA 0.431 4.770 4.340 -0.002 0.000 0.289 365 L C 0.029 176.802 176.870 -0.161 0.000 1.032 365 L CA -0.410 54.163 54.840 -0.444 0.000 0.810 365 L CB 1.280 42.926 42.059 -0.689 0.000 1.205 365 L HN 0.560 8.790 8.230 -0.000 0.000 0.422 366 T N 1.222 115.830 114.554 0.091 0.000 2.859 366 T HA 0.307 4.656 4.350 -0.002 0.000 0.281 366 T C -0.665 174.300 174.700 0.441 0.000 1.005 366 T CA -0.387 61.894 62.100 0.301 0.000 1.025 366 T CB 1.858 70.858 68.868 0.219 0.000 0.977 366 T HN 0.587 8.827 8.240 -0.000 0.000 0.458 367 c N 4.715 123.581 118.600 0.444 0.000 2.344 367 c HA 0.732 5.301 4.570 -0.002 0.000 0.326 367 c C -0.584 173.578 174.090 0.120 0.000 1.201 367 c CA -0.947 55.476 56.329 0.157 0.000 1.410 367 c CB -1.024 41.368 42.510 -0.197 0.000 2.070 367 c HN 0.905 9.135 8.230 -0.000 0.000 0.445 368 L N 7.564 128.810 121.223 0.039 0.000 2.282 368 L HA 0.861 5.200 4.340 -0.002 0.000 0.288 368 L C -0.957 175.819 176.870 -0.156 0.000 1.033 368 L CA 0.161 54.869 54.840 -0.219 0.000 0.807 368 L CB 1.530 43.453 42.059 -0.228 0.000 1.209 368 L HN 0.454 8.684 8.230 -0.000 0.000 0.423 369 V N 5.595 125.424 119.914 -0.141 0.000 2.407 369 V HA 0.574 4.693 4.120 -0.002 0.000 0.291 369 V C -0.260 175.938 176.094 0.172 0.000 1.018 369 V CA -0.580 61.678 62.300 -0.070 0.000 0.842 369 V CB 1.254 32.987 31.823 -0.149 0.000 0.996 369 V HN 0.938 9.128 8.190 -0.000 0.000 0.426 370 K N 2.231 122.716 120.400 0.141 0.000 2.409 370 K HA 0.846 5.164 4.320 -0.002 0.000 0.252 370 K C 0.649 177.368 176.600 0.199 0.000 1.036 370 K CA -0.343 56.078 56.287 0.225 0.000 0.871 370 K CB 1.876 34.437 32.500 0.102 0.000 1.374 370 K HN 0.986 9.236 8.250 -0.000 0.000 0.459 371 G N 0.650 109.518 108.800 0.113 0.000 2.225 371 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.267 371 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.267 371 G C -0.360 174.614 174.900 0.123 0.000 1.024 371 G CA 0.889 46.032 45.100 0.073 0.000 0.784 371 G HN 0.613 8.903 8.290 -0.000 0.000 0.507 372 F N -1.556 118.427 119.950 0.055 0.000 2.432 372 F HA 0.857 5.384 4.527 -0.001 0.000 0.329 372 F C -0.300 175.650 175.800 0.250 0.000 1.076 372 F CA -2.726 55.258 58.000 -0.027 0.000 1.018 372 F CB 1.247 40.034 39.000 -0.353 0.000 1.201 372 F HN 0.120 8.420 8.300 -0.000 0.000 0.489 373 Y N 3.314 123.831 120.300 0.362 0.000 2.442 373 Y HA 0.480 5.029 4.550 -0.002 0.000 0.330 373 Y C -2.872 173.302 175.900 0.457 0.000 1.100 373 Y CA -2.551 55.790 58.100 0.401 0.000 1.034 373 Y CB 2.312 40.924 38.460 0.252 0.000 1.285 373 Y HN 0.519 8.799 8.280 -0.000 0.000 0.440 374 P HA 0.095 4.515 4.420 -0.000 0.000 0.286 374 P C 0.414 177.608 177.300 -0.176 0.000 1.293 374 P CA 0.235 62.925 63.100 -0.684 0.000 0.770 374 P CB 0.868 32.300 31.700 -0.446 0.000 1.206 375 S N -2.317 113.014 115.700 -0.616 0.000 2.507 375 S HA -0.077 4.392 4.470 -0.002 0.000 0.235 375 S C 0.424 175.008 174.600 -0.027 0.000 0.988 375 S CA 0.363 58.212 58.200 -0.585 0.000 0.944 375 S CB -1.077 61.312 63.200 -1.351 0.000 0.762 375 S HN 0.350 8.660 8.310 -0.000 0.000 0.526 376 D N 1.702 122.081 120.400 -0.036 0.000 2.382 376 D HA 0.410 5.049 4.640 -0.002 0.000 0.259 376 D C -0.210 176.086 176.300 -0.007 0.000 1.224 376 D CA 0.479 54.463 54.000 -0.027 0.000 0.894 376 D CB 0.740 41.518 40.800 -0.036 0.000 1.127 376 D HN 0.411 8.781 8.370 -0.000 0.000 0.487 377 I N 0.036 120.575 120.570 -0.052 0.000 3.149 377 I HA 0.538 4.706 4.170 -0.002 0.000 0.310 377 I C -1.801 174.246 176.117 -0.117 0.000 1.343 377 I CA -0.767 60.462 61.300 -0.117 0.000 0.955 377 I CB 1.993 39.785 38.000 -0.347 0.000 1.309 377 I HN 0.377 8.587 8.210 -0.000 0.000 0.478 378 A N 3.826 126.566 122.820 -0.133 0.000 2.408 378 A HA 0.765 5.084 4.320 -0.002 0.000 0.295 378 A C -1.913 175.589 177.584 -0.137 0.000 1.040 378 A CA -0.416 51.565 52.037 -0.094 0.000 0.707 378 A CB 1.617 20.582 19.000 -0.058 0.000 1.235 378 A HN 0.342 8.492 8.150 -0.000 0.000 0.418 379 V N 2.097 121.934 119.914 -0.127 0.000 2.588 379 V HA 0.660 4.779 4.120 -0.002 0.000 0.304 379 V C -0.136 175.810 176.094 -0.248 0.000 1.042 379 V CA -0.385 61.780 62.300 -0.225 0.000 0.877 379 V CB 1.629 33.312 31.823 -0.234 0.000 0.996 379 V HN 1.029 9.219 8.190 -0.000 0.000 0.425 380 E N 1.903 121.882 120.200 -0.367 0.000 2.446 380 E HA 0.614 4.962 4.350 -0.002 0.000 0.276 380 E C -1.931 174.382 176.600 -0.478 0.000 0.969 380 E CA -0.673 55.504 56.400 -0.371 0.000 0.800 380 E CB 2.691 32.347 29.700 -0.073 0.000 1.341 380 E HN 0.593 8.953 8.360 -0.000 0.000 0.460 381 W N 1.198 122.295 121.300 -0.340 0.000 2.844 381 W HA 0.379 5.035 4.660 -0.007 0.000 0.340 381 W C -0.308 176.232 176.519 0.036 0.000 1.093 381 W CA -0.352 56.917 57.345 -0.126 0.000 1.212 381 W CB 1.527 30.916 29.460 -0.118 0.000 1.422 381 W HN 0.332 8.512 8.180 -0.000 0.000 0.515 382 E N 0.569 120.977 120.200 0.346 0.000 2.459 382 E HA 0.801 5.150 4.350 -0.002 0.000 0.275 382 E C -1.432 175.314 176.600 0.243 0.000 0.987 382 E CA -1.107 55.443 56.400 0.248 0.000 0.828 382 E CB 2.017 31.809 29.700 0.154 0.000 1.428 382 E HN 0.140 8.500 8.360 -0.000 0.000 0.457 383 S N -0.167 115.608 115.700 0.125 0.000 2.578 383 S HA 0.237 4.706 4.470 -0.002 0.000 0.285 383 S C -1.068 173.516 174.600 -0.028 0.000 1.126 383 S CA -0.413 57.777 58.200 -0.016 0.000 0.878 383 S CB 0.264 63.385 63.200 -0.131 0.000 1.091 383 S HN 0.653 8.963 8.310 -0.000 0.000 0.450 384 N N 2.274 120.932 118.700 -0.071 0.000 2.716 384 N HA -0.222 4.516 4.740 -0.002 0.000 0.250 384 N C 0.891 176.397 175.510 -0.007 0.000 1.033 384 N CA 1.317 54.341 53.050 -0.043 0.000 0.727 384 N CB -1.562 36.898 38.487 -0.046 0.000 0.950 384 N HN 1.695 10.075 8.380 -0.000 0.000 0.541 385 G N -1.201 107.603 108.800 0.008 0.000 2.186 385 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.266 385 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.266 385 G C 0.035 174.955 174.900 0.034 0.000 0.982 385 G CA 1.251 46.363 45.100 0.021 0.000 0.670 385 G HN 0.588 8.878 8.290 -0.000 0.000 0.533 386 Q N 0.025 119.852 119.800 0.046 0.000 2.387 386 Q HA 0.633 4.972 4.340 -0.002 0.000 0.273 386 Q C -2.406 173.653 176.000 0.100 0.000 1.089 386 Q CA -2.057 53.783 55.803 0.062 0.000 0.824 386 Q CB 2.818 31.588 28.738 0.053 0.000 1.367 386 Q HN 0.181 8.451 8.270 -0.000 0.000 0.443 387 P HA 0.123 4.543 4.420 -0.000 0.000 0.275 387 P C -0.973 176.444 177.300 0.194 0.000 1.228 387 P CA -0.130 63.068 63.100 0.163 0.000 0.786 387 P CB 0.825 32.615 31.700 0.150 0.000 0.927 388 E N 2.283 122.648 120.200 0.275 0.000 2.158 388 E HA 0.211 4.560 4.350 -0.002 0.000 0.271 388 E C -0.183 176.633 176.600 0.360 0.000 0.911 388 E CA -0.381 56.187 56.400 0.279 0.000 0.767 388 E CB 1.300 31.189 29.700 0.316 0.000 1.120 388 E HN 0.420 8.780 8.360 -0.000 0.000 0.405 389 N N 1.413 120.238 118.700 0.208 0.000 2.205 389 N HA 0.001 4.740 4.740 -0.002 0.000 0.201 389 N C 0.461 175.914 175.510 -0.095 0.000 1.128 389 N CA -0.049 53.056 53.050 0.091 0.000 0.867 389 N CB 0.427 38.925 38.487 0.018 0.000 0.996 389 N HN 0.328 8.708 8.380 -0.000 0.000 0.503 390 N N 1.109 119.807 118.700 -0.003 0.000 3.091 390 N HA 0.003 4.742 4.740 -0.002 0.000 0.301 390 N C -1.272 174.193 175.510 -0.074 0.000 1.325 390 N CA -0.175 52.828 53.050 -0.078 0.000 1.143 390 N CB 0.076 38.526 38.487 -0.060 0.000 1.450 390 N HN 0.245 8.625 8.380 -0.000 0.000 0.542 391 Y N -1.489 118.760 120.300 -0.084 0.000 2.576 391 Y HA 0.634 5.184 4.550 -0.001 0.000 0.346 391 Y C -1.283 174.623 175.900 0.011 0.000 1.018 391 Y CA -1.217 56.828 58.100 -0.090 0.000 1.050 391 Y CB 1.123 39.528 38.460 -0.092 0.000 1.280 391 Y HN -0.258 8.022 8.280 -0.000 0.000 0.474 392 K N 1.752 122.292 120.400 0.233 0.000 2.468 392 K HA 0.563 4.882 4.320 -0.002 0.000 0.252 392 K C -1.459 175.322 176.600 0.302 0.000 0.932 392 K CA -0.765 55.626 56.287 0.173 0.000 0.794 392 K CB 2.560 35.093 32.500 0.055 0.000 1.241 392 K HN 0.952 9.202 8.250 -0.000 0.000 0.428 393 T N 1.040 115.763 114.554 0.283 0.000 2.856 393 T HA 0.309 4.657 4.350 -0.002 0.000 0.283 393 T C 0.167 174.972 174.700 0.174 0.000 1.008 393 T CA -0.654 61.600 62.100 0.258 0.000 0.997 393 T CB 1.614 70.634 68.868 0.252 0.000 0.992 393 T HN 0.681 8.921 8.240 -0.000 0.000 0.454 394 T N 1.039 115.701 114.554 0.179 0.000 2.849 394 T HA 0.553 4.902 4.350 -0.002 0.000 0.284 394 T C -2.559 172.203 174.700 0.104 0.000 1.004 394 T CA -1.653 60.528 62.100 0.135 0.000 1.021 394 T CB 0.202 69.169 68.868 0.165 0.000 1.013 394 T HN 0.221 8.461 8.240 -0.000 0.000 0.527 395 P HA 0.380 4.800 4.420 -0.000 0.000 0.274 395 P C -2.669 174.652 177.300 0.034 0.000 1.246 395 P CA -1.686 61.440 63.100 0.044 0.000 0.795 395 P CB -0.816 30.898 31.700 0.025 0.000 1.006 396 P HA 0.154 4.574 4.420 -0.000 0.000 0.275 396 P C -0.862 176.432 177.300 -0.011 0.000 1.228 396 P CA 0.156 63.288 63.100 0.054 0.000 0.786 396 P CB 0.429 32.158 31.700 0.048 0.000 0.927 397 V N 3.576 123.367 119.914 -0.205 0.000 2.604 397 V HA 0.230 4.349 4.120 -0.002 0.000 0.305 397 V C -0.029 175.922 176.094 -0.239 0.000 1.043 397 V CA -0.962 61.157 62.300 -0.302 0.000 0.888 397 V CB 1.957 33.338 31.823 -0.736 0.000 0.995 397 V HN 0.378 8.568 8.190 -0.000 0.000 0.429 398 L N 4.306 125.442 121.223 -0.144 0.000 2.433 398 L HA 0.308 4.647 4.340 -0.002 0.000 0.275 398 L C 0.323 177.103 176.870 -0.151 0.000 1.128 398 L CA 0.801 55.404 54.840 -0.396 0.000 0.875 398 L CB 0.096 42.001 42.059 -0.257 0.000 1.171 398 L HN 0.677 8.907 8.230 -0.000 0.000 0.463 399 D N 1.452 121.780 120.400 -0.120 0.000 2.447 399 D HA 0.113 4.752 4.640 -0.002 0.000 0.265 399 D C 1.009 177.297 176.300 -0.020 0.000 1.250 399 D CA 0.572 54.623 54.000 0.085 0.000 1.046 399 D CB 1.542 42.413 40.800 0.119 0.000 1.095 399 D HN 0.653 9.023 8.370 -0.000 0.000 0.555 400 S N -0.533 115.167 115.700 -0.000 0.000 2.522 400 S HA -0.121 4.348 4.470 -0.002 0.000 0.227 400 S C 0.757 175.333 174.600 -0.040 0.000 0.986 400 S CA 0.562 58.750 58.200 -0.020 0.000 0.929 400 S CB -0.069 63.125 63.200 -0.009 0.000 0.769 400 S HN 0.517 8.827 8.310 -0.000 0.000 0.529 401 D N -0.161 120.209 120.400 -0.051 0.000 2.424 401 D HA 0.308 4.947 4.640 -0.002 0.000 0.220 401 D C 1.259 177.512 176.300 -0.078 0.000 1.150 401 D CA 0.247 54.215 54.000 -0.053 0.000 0.831 401 D CB -0.313 40.465 40.800 -0.037 0.000 0.981 401 D HN 0.441 8.811 8.370 -0.000 0.000 0.500 402 G N 0.253 108.983 108.800 -0.118 0.000 2.176 402 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.253 402 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.253 402 G C 0.449 175.243 174.900 -0.176 0.000 0.979 402 G CA 0.507 45.518 45.100 -0.149 0.000 0.641 402 G HN 0.862 9.152 8.290 -0.000 0.000 0.530 403 S N -0.543 115.051 115.700 -0.178 0.000 2.730 403 S HA 0.864 5.333 4.470 -0.002 0.000 0.284 403 S C -0.212 174.102 174.600 -0.476 0.000 1.153 403 S CA -0.796 57.317 58.200 -0.146 0.000 0.995 403 S CB 1.754 64.931 63.200 -0.037 0.000 1.058 403 S HN 0.428 8.738 8.310 -0.000 0.000 0.552 404 F N 0.498 120.200 119.950 -0.414 0.000 2.523 404 F HA 0.767 5.293 4.527 -0.003 0.000 0.329 404 F C -0.100 175.291 175.800 -0.683 0.000 1.061 404 F CA -1.032 56.581 58.000 -0.645 0.000 0.967 404 F CB 1.673 40.069 39.000 -1.006 0.000 1.218 404 F HN 0.768 9.068 8.300 -0.000 0.000 0.480 405 F N 1.052 120.879 119.950 -0.205 0.000 2.643 405 F HA 0.906 5.432 4.527 -0.003 0.000 0.314 405 F C -1.941 173.973 175.800 0.190 0.000 1.096 405 F CA -1.525 56.492 58.000 0.027 0.000 0.953 405 F CB 1.487 40.474 39.000 -0.021 0.000 1.345 405 F HN 0.412 8.712 8.300 -0.000 0.000 0.468 406 L N -0.394 121.031 121.223 0.337 0.000 2.892 406 L HA 0.737 5.076 4.340 -0.002 0.000 0.269 406 L C -2.348 174.620 176.870 0.162 0.000 1.058 406 L CA -1.498 53.478 54.840 0.225 0.000 0.923 406 L CB 1.491 43.682 42.059 0.221 0.000 1.518 406 L HN 0.774 9.004 8.230 -0.000 0.000 0.402 407 Y N -0.733 119.703 120.300 0.226 0.000 2.492 407 Y HA 0.764 5.313 4.550 -0.003 0.000 0.346 407 Y C -0.127 175.885 175.900 0.187 0.000 0.997 407 Y CA -0.487 57.738 58.100 0.207 0.000 1.025 407 Y CB 2.601 41.185 38.460 0.208 0.000 1.263 407 Y HN 0.803 9.083 8.280 -0.000 0.000 0.454 408 S N 2.878 118.814 115.700 0.392 0.000 2.500 408 S HA 0.526 4.995 4.470 -0.002 0.000 0.301 408 S C -1.267 173.627 174.600 0.490 0.000 1.092 408 S CA -0.796 57.658 58.200 0.423 0.000 1.030 408 S CB 0.737 64.172 63.200 0.392 0.000 1.031 408 S HN 0.617 8.927 8.310 -0.000 0.000 0.483 409 K N 4.417 125.015 120.400 0.330 0.000 2.483 409 K HA 0.486 4.805 4.320 -0.002 0.000 0.256 409 K C -1.544 174.983 176.600 -0.122 0.000 0.961 409 K CA -0.758 55.588 56.287 0.099 0.000 0.873 409 K CB 0.955 33.483 32.500 0.048 0.000 1.107 409 K HN 0.511 8.761 8.250 -0.000 0.000 0.432 410 L N 4.142 125.025 121.223 -0.566 0.000 2.257 410 L HA 0.375 4.713 4.340 -0.002 0.000 0.290 410 L C -0.904 175.646 176.870 -0.534 0.000 1.044 410 L CA 0.350 54.708 54.840 -0.804 0.000 0.810 410 L CB 1.461 42.485 42.059 -1.726 0.000 1.193 410 L HN 0.585 8.815 8.230 -0.000 0.000 0.425 411 T N 5.456 119.810 114.554 -0.333 0.000 2.767 411 T HA 0.638 4.986 4.350 -0.002 0.000 0.288 411 T C -0.217 174.333 174.700 -0.250 0.000 0.963 411 T CA -0.307 61.632 62.100 -0.267 0.000 1.019 411 T CB 1.102 69.870 68.868 -0.167 0.000 0.923 411 T HN 0.569 8.809 8.240 -0.000 0.000 0.468 412 V N -0.082 119.675 119.914 -0.263 0.000 3.141 412 V HA 0.678 4.796 4.120 -0.002 0.000 0.312 412 V C -0.976 175.063 176.094 -0.091 0.000 1.157 412 V CA -1.303 60.890 62.300 -0.178 0.000 1.041 412 V CB 2.092 33.747 31.823 -0.279 0.000 1.071 412 V HN 0.574 8.764 8.190 -0.000 0.000 0.441 413 D N 1.380 121.775 120.400 -0.008 0.000 2.351 413 D HA 0.205 4.843 4.640 -0.002 0.000 0.251 413 D C 0.845 177.187 176.300 0.070 0.000 1.137 413 D CA 0.064 54.078 54.000 0.023 0.000 0.879 413 D CB 1.979 42.806 40.800 0.044 0.000 1.181 413 D HN 0.818 9.188 8.370 -0.000 0.000 0.448 414 K N 1.566 122.004 120.400 0.063 0.000 2.107 414 K HA -0.258 4.061 4.320 -0.002 0.000 0.211 414 K C 1.828 178.538 176.600 0.183 0.000 1.049 414 K CA 1.892 58.257 56.287 0.130 0.000 0.927 414 K CB 0.046 32.600 32.500 0.091 0.000 0.714 414 K HN 0.411 8.661 8.250 -0.000 0.000 0.452 415 S N 0.304 116.076 115.700 0.121 0.000 2.368 415 S HA -0.158 4.311 4.470 -0.002 0.000 0.225 415 S C 1.957 176.638 174.600 0.135 0.000 1.030 415 S CA 0.959 59.222 58.200 0.105 0.000 0.999 415 S CB -0.355 62.887 63.200 0.071 0.000 0.844 415 S HN 0.369 8.679 8.310 -0.000 0.000 0.459 416 R N -0.489 120.115 120.500 0.174 0.000 2.152 416 R HA -0.028 4.311 4.340 -0.002 0.000 0.232 416 R C 2.165 178.687 176.300 0.370 0.000 1.117 416 R CA 1.403 57.648 56.100 0.241 0.000 0.981 416 R CB -0.290 30.178 30.300 0.280 0.000 0.870 416 R HN 0.782 9.052 8.270 -0.000 0.000 0.451 417 W N 1.237 122.623 121.300 0.143 0.000 2.488 417 W HA -0.099 4.563 4.660 0.003 0.000 0.304 417 W C 1.332 177.924 176.519 0.121 0.000 1.175 417 W CA 0.640 58.079 57.345 0.157 0.000 1.365 417 W CB -0.089 29.387 29.460 0.027 0.000 1.131 417 W HN 0.031 8.211 8.180 -0.000 0.000 0.520 418 Q N 0.614 120.438 119.800 0.041 0.000 2.364 418 Q HA -0.239 4.100 4.340 -0.002 0.000 0.209 418 Q C 1.853 177.785 176.000 -0.113 0.000 0.977 418 Q CA 1.242 56.976 55.803 -0.114 0.000 0.885 418 Q CB -0.112 28.649 28.738 0.039 0.000 0.941 418 Q HN 0.359 8.629 8.270 -0.000 0.000 0.464 419 Q N -1.330 118.444 119.800 -0.043 0.000 2.322 419 Q HA 0.075 4.414 4.340 -0.002 0.000 0.203 419 Q C 0.625 176.579 176.000 -0.077 0.000 0.923 419 Q CA 0.421 56.202 55.803 -0.036 0.000 0.949 419 Q CB 0.283 29.030 28.738 0.015 0.000 1.039 419 Q HN 0.504 8.774 8.270 -0.000 0.000 0.496 420 G N 0.656 109.356 108.800 -0.167 0.000 2.175 420 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.265 420 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.265 420 G C -0.037 174.787 174.900 -0.127 0.000 0.979 420 G CA 0.178 45.163 45.100 -0.193 0.000 0.663 420 G HN 0.370 8.660 8.290 -0.000 0.000 0.533 421 N N -0.207 118.457 118.700 -0.060 0.000 2.395 421 N HA 0.262 5.001 4.740 -0.002 0.000 0.246 421 N C 0.431 175.812 175.510 -0.217 0.000 1.246 421 N CA 0.530 53.495 53.050 -0.142 0.000 0.879 421 N CB 1.236 39.642 38.487 -0.135 0.000 1.098 421 N HN 0.160 8.540 8.380 -0.000 0.000 0.444 422 V N 3.227 122.932 119.914 -0.348 0.000 2.427 422 V HA 0.448 4.567 4.120 -0.002 0.000 0.286 422 V C -0.273 175.548 176.094 -0.456 0.000 1.034 422 V CA -0.500 61.673 62.300 -0.210 0.000 0.893 422 V CB 0.416 32.196 31.823 -0.071 0.000 0.982 422 V HN 0.375 8.565 8.190 -0.000 0.000 0.452 423 F N 1.516 121.609 119.950 0.238 0.000 2.522 423 F HA 0.722 5.254 4.527 0.008 0.000 0.324 423 F C 0.491 176.465 175.800 0.290 0.000 1.077 423 F CA -0.422 57.756 58.000 0.296 0.000 0.944 423 F CB 2.300 41.518 39.000 0.364 0.000 1.175 423 F HN 0.404 8.704 8.300 -0.000 0.000 0.468 424 S N 0.561 116.512 115.700 0.419 0.000 2.536 424 S HA 0.485 4.954 4.470 -0.002 0.000 0.287 424 S C -1.469 173.126 174.600 -0.008 0.000 1.101 424 S CA -0.811 57.498 58.200 0.181 0.000 0.950 424 S CB 1.731 64.988 63.200 0.095 0.000 1.056 424 S HN 0.813 9.123 8.310 -0.000 0.000 0.481 425 c N 3.987 122.378 118.600 -0.348 0.000 2.281 425 c HA 0.776 5.345 4.570 -0.002 0.000 0.323 425 c C 0.280 174.060 174.090 -0.518 0.000 1.270 425 c CA -0.422 55.403 56.329 -0.841 0.000 1.559 425 c CB -0.953 40.838 42.510 -1.199 0.000 2.239 425 c HN 0.923 9.153 8.230 -0.000 0.000 0.488 426 S N 4.903 120.330 115.700 -0.455 0.000 2.565 426 S HA 0.860 5.329 4.470 -0.002 0.000 0.290 426 S C -0.768 173.558 174.600 -0.457 0.000 1.150 426 S CA -0.635 57.303 58.200 -0.436 0.000 1.058 426 S CB 1.545 64.606 63.200 -0.233 0.000 1.032 426 S HN 0.782 9.092 8.310 -0.000 0.000 0.510 427 V N 2.676 122.272 119.914 -0.531 0.000 2.735 427 V HA 0.521 4.640 4.120 -0.002 0.000 0.310 427 V C -0.522 175.387 176.094 -0.308 0.000 1.061 427 V CA -0.691 61.375 62.300 -0.391 0.000 0.913 427 V CB 1.836 33.429 31.823 -0.383 0.000 1.005 427 V HN 0.951 9.141 8.190 -0.000 0.000 0.428 428 M N 4.082 123.581 119.600 -0.167 0.000 2.190 428 M HA 0.581 5.059 4.480 -0.002 0.000 0.312 428 M C -1.107 175.175 176.300 -0.029 0.000 0.990 428 M CA -0.292 54.984 55.300 -0.040 0.000 0.927 428 M CB 1.670 34.276 32.600 0.011 0.000 1.571 428 M HN 0.943 9.233 8.290 -0.000 0.000 0.427 429 H N -0.042 118.961 119.070 -0.110 0.000 3.017 429 H HA 0.201 4.755 4.556 -0.002 0.000 0.346 429 H C 0.035 175.306 175.328 -0.096 0.000 1.286 429 H CA -0.378 55.592 56.048 -0.130 0.000 1.120 429 H CB 1.979 31.655 29.762 -0.144 0.000 1.860 429 H HN 0.741 9.021 8.280 -0.000 0.000 0.542 430 E N 1.768 121.650 120.200 -0.530 0.000 2.107 430 E HA -0.057 4.292 4.350 -0.002 0.000 0.191 430 E C 0.996 177.692 176.600 0.159 0.000 0.982 430 E CA 1.016 57.236 56.400 -0.301 0.000 0.809 430 E CB -0.048 29.435 29.700 -0.363 0.000 0.756 430 E HN 0.580 8.940 8.360 -0.000 0.000 0.459 431 A N 0.903 123.957 122.820 0.390 0.000 2.259 431 A HA 0.195 4.514 4.320 -0.002 0.000 0.208 431 A C 0.705 178.460 177.584 0.285 0.000 1.201 431 A CA -0.093 52.165 52.037 0.369 0.000 0.824 431 A CB -0.085 19.154 19.000 0.400 0.000 0.838 431 A HN 0.146 8.296 8.150 -0.000 0.000 0.485 432 L N -0.139 121.256 121.223 0.288 0.000 2.325 432 L HA 0.273 4.612 4.340 -0.002 0.000 0.279 432 L C 0.285 177.282 176.870 0.212 0.000 1.054 432 L CA -1.034 53.926 54.840 0.200 0.000 0.804 432 L CB 1.123 43.268 42.059 0.143 0.000 1.200 432 L HN 0.441 8.671 8.230 -0.000 0.000 0.436 433 H N 3.689 122.814 119.070 0.092 0.000 3.046 433 H HA 0.013 4.567 4.556 -0.003 0.000 0.303 433 H C 0.444 175.804 175.328 0.053 0.000 1.002 433 H CA 0.848 56.931 56.048 0.058 0.000 1.460 433 H CB -0.062 29.724 29.762 0.040 0.000 1.493 433 H HN 0.640 8.920 8.280 -0.000 0.000 0.559 434 N N 3.395 121.815 118.700 -0.466 0.000 2.829 434 N HA -0.263 4.476 4.740 -0.002 0.000 0.250 434 N C -0.705 174.748 175.510 -0.095 0.000 1.090 434 N CA 0.680 53.500 53.050 -0.383 0.000 0.781 434 N CB -1.384 36.928 38.487 -0.292 0.000 1.124 434 N HN 0.955 9.335 8.380 -0.000 0.000 0.559 435 H N -2.961 116.114 119.070 0.008 0.000 2.820 435 H HA -0.244 4.311 4.556 -0.002 0.000 0.295 435 H C -0.686 174.725 175.328 0.138 0.000 1.187 435 H CA 1.274 57.357 56.048 0.058 0.000 1.144 435 H CB -1.231 28.550 29.762 0.032 0.000 1.354 435 H HN 0.562 8.842 8.280 -0.000 0.000 0.395 436 Y N -0.651 119.694 120.300 0.074 0.000 2.558 436 Y HA 0.505 5.050 4.550 -0.007 0.000 0.333 436 Y C -0.853 175.052 175.900 0.009 0.000 1.125 436 Y CA -0.129 57.985 58.100 0.023 0.000 1.039 436 Y CB 2.371 40.834 38.460 0.005 0.000 1.331 436 Y HN 0.128 8.408 8.280 -0.000 0.000 0.456 437 T N 3.815 117.913 114.554 -0.760 0.000 2.802 437 T HA 0.441 4.790 4.350 -0.002 0.000 0.311 437 T C -2.115 172.138 174.700 -0.745 0.000 1.405 437 T CA -0.501 61.308 62.100 -0.484 0.000 1.016 437 T CB 1.931 70.650 68.868 -0.250 0.000 1.352 437 T HN 0.791 9.031 8.240 -0.000 0.000 0.498 438 Q N 1.140 120.729 119.800 -0.350 0.000 2.456 438 Q HA 0.653 4.991 4.340 -0.002 0.000 0.284 438 Q C -1.862 174.049 176.000 -0.148 0.000 1.061 438 Q CA -0.864 54.786 55.803 -0.255 0.000 0.799 438 Q CB 1.675 30.374 28.738 -0.066 0.000 1.445 438 Q HN 0.397 8.667 8.270 -0.000 0.000 0.411 439 K N 1.302 121.622 120.400 -0.132 0.000 2.565 439 K HA 0.410 4.729 4.320 -0.002 0.000 0.251 439 K C -1.533 175.064 176.600 -0.006 0.000 0.956 439 K CA -0.436 55.813 56.287 -0.064 0.000 0.809 439 K CB 2.295 34.740 32.500 -0.092 0.000 1.267 439 K HN 0.653 8.903 8.250 -0.000 0.000 0.438 440 S N 1.661 117.397 115.700 0.061 0.000 2.687 440 S HA 0.682 5.151 4.470 -0.002 0.000 0.283 440 S C -0.758 173.961 174.600 0.199 0.000 1.170 440 S CA -0.715 57.565 58.200 0.132 0.000 1.008 440 S CB 1.072 64.336 63.200 0.108 0.000 1.026 440 S HN 0.517 8.827 8.310 -0.000 0.000 0.541 441 L N 1.550 122.956 121.223 0.306 0.000 2.565 441 L HA 0.716 5.055 4.340 -0.002 0.000 0.261 441 L C -0.829 176.356 176.870 0.526 0.000 0.932 441 L CA 0.178 55.259 54.840 0.402 0.000 0.878 441 L CB 1.662 43.992 42.059 0.453 0.000 1.333 441 L HN 0.850 9.080 8.230 -0.000 0.000 0.409 442 S N 3.072 119.021 115.700 0.416 0.000 2.703 442 S HA 0.587 5.055 4.470 -0.002 0.000 0.273 442 S C -1.310 173.136 174.600 -0.257 0.000 1.178 442 S CA -0.969 57.297 58.200 0.109 0.000 0.838 442 S CB 0.811 64.024 63.200 0.021 0.000 1.178 442 S HN 0.880 9.190 8.310 -0.000 0.000 0.494 443 L N 1.680 122.501 121.223 -0.670 0.000 2.367 443 L HA 0.734 5.073 4.340 -0.002 0.000 0.275 443 L C 0.064 176.817 176.870 -0.195 0.000 1.129 443 L CA 1.277 55.779 54.840 -0.563 0.000 0.839 443 L CB 0.814 42.429 42.059 -0.741 0.000 1.133 443 L HN 1.091 9.321 8.230 -0.000 0.000 0.453 444 S N 0.000 115.659 115.700 -0.069 0.000 2.498 444 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 444 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 444 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 444 S HN 0.000 8.310 8.310 -0.000 0.000 0.517