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 2k7z_1_A DATA FIRST_RESID 224 DATA SEQUENCE KVYQMKSKPR GYCLIINNHN FAKAREKVPK LHSIRDRNGT HLDAGALTTT DATA SEQUENCE FEELHFEIKP HDDCTVEQIY EILKIYQLMD HSNMDCFICC ILSHGDKGII DATA SEQUENCE YGTDGQEAPI YELTSQFTGL KCPSLAGKPK VFFIQAAQGD NYQKGIPVET DATA SEQUENCE DSEEQPYLEM DLSSPQTRYI PDEADFLLGM AXXXXXXXXX XPAEGTWYIQ DATA SEQUENCE SLCQSLRERC PRGDDILTIL TEVXXXXXXX XXXXXXXXXX PQPTFTLRKK DATA SEQUENCE LVFPSD 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 224 K HA 0.000 4.283 4.320 -0.062 0.000 0.191 224 K C 0.000 176.546 176.600 -0.090 0.000 0.988 224 K CA 0.000 56.252 56.287 -0.058 0.000 0.838 224 K CB 0.000 32.481 32.500 -0.032 0.000 1.064 225 V N 2.317 122.155 119.914 -0.126 0.000 2.584 225 V HA -0.192 3.722 4.120 -0.344 0.000 0.303 225 V C -0.705 175.289 176.094 -0.167 0.000 1.035 225 V CA 2.120 64.257 62.300 -0.271 0.000 1.172 225 V CB 0.083 31.715 31.823 -0.318 0.000 0.896 225 V HN 0.305 8.436 8.190 -0.098 0.000 0.486 226 Y N 1.621 121.910 120.300 -0.017 0.000 4.324 226 Y HA -0.352 4.188 4.550 -0.017 0.000 0.224 226 Y C -1.132 174.754 175.900 -0.023 0.000 1.113 226 Y CA 0.868 58.958 58.100 -0.015 0.000 1.887 226 Y CB -2.960 35.498 38.460 -0.002 0.000 1.602 226 Y HN 0.355 8.366 8.280 -0.450 0.000 0.654 227 Q N -2.640 117.192 119.800 0.053 0.000 2.282 227 Q HA -0.069 4.296 4.340 0.041 0.000 0.206 227 Q C 0.939 176.934 176.000 -0.008 0.000 0.878 227 Q CA 0.263 56.079 55.803 0.021 0.000 0.944 227 Q CB 0.600 29.336 28.738 -0.003 0.000 1.100 227 Q HN -0.382 7.833 8.270 -0.009 0.050 0.509 228 M N -2.105 117.482 119.600 -0.022 0.000 2.659 228 M HA -0.120 4.479 4.480 -0.068 -0.160 0.243 228 M C -0.923 175.358 176.300 -0.032 0.000 1.111 228 M CA 0.426 55.693 55.300 -0.055 0.000 1.070 228 M CB -0.241 32.292 32.600 -0.111 0.000 1.525 228 M HN -0.340 7.885 8.290 -0.009 0.060 0.517 229 K N -0.235 120.163 120.400 -0.003 0.000 2.160 229 K HA -0.199 4.123 4.320 0.003 0.000 0.263 229 K C -0.346 176.246 176.600 -0.013 0.000 1.120 229 K CA 0.733 57.020 56.287 0.001 0.000 1.115 229 K CB -1.547 30.962 32.500 0.014 0.000 0.971 229 K HN -0.346 7.803 8.250 0.012 0.108 0.400 230 S N 3.627 119.311 115.700 -0.026 0.000 2.671 230 S HA 0.192 4.651 4.470 -0.018 0.000 0.277 230 S C -0.274 174.308 174.600 -0.031 0.000 1.165 230 S CA -1.238 56.946 58.200 -0.027 0.000 0.822 230 S CB 1.800 64.980 63.200 -0.033 0.000 1.150 230 S HN -0.435 7.855 8.310 -0.034 0.000 0.479 231 K N 1.077 121.465 120.400 -0.020 0.000 1.987 231 K HA -0.133 4.177 4.320 -0.016 0.000 0.216 231 K C -1.418 175.167 176.600 -0.025 0.000 1.051 231 K CA 1.704 57.982 56.287 -0.015 0.000 0.942 231 K CB -1.623 30.877 32.500 0.000 0.000 0.722 231 K HN 0.148 8.390 8.250 -0.014 0.000 0.444 232 P HA 0.003 4.431 4.420 0.014 0.000 0.276 232 P C -0.317 176.899 177.300 -0.140 0.000 1.230 232 P CA -0.035 63.052 63.100 -0.022 0.000 0.776 232 P CB 0.971 32.684 31.700 0.022 0.000 0.888 233 R N 1.493 121.825 120.500 -0.280 0.000 2.052 233 R HA -0.043 3.968 4.340 -0.549 0.000 0.226 233 R C -0.599 175.155 176.300 -0.910 0.000 1.145 233 R CA 1.111 56.767 56.100 -0.741 0.000 0.952 233 R CB 0.939 30.601 30.300 -1.064 0.000 0.847 233 R HN 0.349 8.505 8.270 -0.190 0.000 0.431 234 G N -6.213 102.246 108.800 -0.569 0.000 2.405 234 G HA2 -0.004 3.962 3.960 0.010 0.000 0.303 234 G HA3 -0.004 4.097 3.960 0.235 0.000 0.303 234 G C -2.730 172.261 174.900 0.151 0.000 1.644 234 G CA -0.363 44.713 45.100 -0.040 0.000 0.899 234 G HN -0.723 7.313 8.290 -0.422 0.000 0.667 235 Y N 2.259 122.416 120.300 -0.238 0.000 2.434 235 Y HA 0.762 5.412 4.550 -0.185 -0.211 0.341 235 Y C -0.949 174.465 175.900 -0.809 0.000 0.965 235 Y CA -1.402 56.484 58.100 -0.358 0.000 1.205 235 Y CB 1.098 39.511 38.460 -0.079 0.000 1.121 235 Y HN 0.380 8.684 8.280 0.040 0.000 0.507 236 C N 4.248 123.229 119.300 -0.531 0.000 2.329 236 C HA 0.563 4.768 4.460 -0.706 -0.168 0.329 236 C C -1.787 172.984 174.990 -0.366 0.000 1.275 236 C CA -2.883 55.741 59.018 -0.656 0.000 1.726 236 C CB 2.515 29.511 27.740 -1.239 0.000 2.291 236 C HN 0.869 8.844 8.230 -0.425 0.000 0.514 237 L N 7.544 128.661 121.223 -0.176 0.000 2.309 237 L HA 0.395 4.913 4.340 0.070 -0.136 0.282 237 L C -1.086 175.816 176.870 0.053 0.000 1.036 237 L CA -0.938 53.935 54.840 0.055 0.000 0.806 237 L CB 1.474 43.685 42.059 0.254 0.000 1.220 237 L HN -0.170 7.934 8.230 -0.210 0.000 0.429 238 I N 1.044 121.671 120.570 0.094 0.000 2.534 238 I HA 0.307 4.538 4.170 0.101 0.000 0.286 238 I C -1.333 174.872 176.117 0.147 0.000 1.094 238 I CA -0.550 60.805 61.300 0.092 0.000 1.055 238 I CB 3.373 41.394 38.000 0.034 0.000 1.225 238 I HN 0.333 8.615 8.210 0.120 0.000 0.435 239 I N 7.443 128.104 120.570 0.151 0.000 2.308 239 I HA 0.048 4.341 4.170 0.204 0.000 0.293 239 I C -0.245 175.948 176.117 0.127 0.000 1.078 239 I CA 0.025 61.418 61.300 0.155 0.000 1.292 239 I CB -0.358 37.716 38.000 0.123 0.000 1.423 239 I HN 0.522 8.813 8.210 0.135 0.000 0.493 240 N N 10.190 128.969 118.700 0.133 0.000 2.652 240 N HA -0.116 4.699 4.740 0.126 0.000 0.259 240 N C -1.226 174.375 175.510 0.151 0.000 1.240 240 N CA -1.409 51.720 53.050 0.131 0.000 0.951 240 N CB -1.142 37.413 38.487 0.115 0.000 1.281 240 N HN 0.687 9.050 8.380 0.150 0.106 0.507 241 N N 0.696 119.479 118.700 0.137 0.000 2.434 241 N HA -0.201 4.627 4.740 0.147 0.000 0.273 241 N C -0.070 175.541 175.510 0.168 0.000 1.210 241 N CA 0.619 53.753 53.050 0.141 0.000 0.992 241 N CB -0.103 38.449 38.487 0.109 0.000 1.355 241 N HN -0.462 7.889 8.380 0.122 0.101 0.495 242 H N 5.910 125.051 119.070 0.119 0.000 2.470 242 H HA -0.181 4.464 4.556 0.148 0.000 0.289 242 H C -0.649 174.824 175.328 0.242 0.000 1.033 242 H CA 1.587 57.728 56.048 0.157 0.000 1.331 242 H CB 0.958 30.796 29.762 0.126 0.000 1.414 242 H HN -0.462 7.989 8.280 0.284 0.000 0.545 243 N N -0.405 118.440 118.700 0.241 0.000 2.406 243 N HA -0.208 4.625 4.740 0.154 0.000 0.274 243 N C 0.255 175.861 175.510 0.159 0.000 1.249 243 N CA -0.016 53.130 53.050 0.160 0.000 0.951 243 N CB -0.722 37.824 38.487 0.098 0.000 1.241 243 N HN -0.290 8.223 8.380 0.223 0.000 0.485 244 F N 1.695 121.649 119.950 0.006 0.000 2.653 244 F HA 0.353 4.896 4.527 0.026 0.000 0.304 244 F C -0.550 175.279 175.800 0.048 0.000 1.092 244 F CA -1.925 56.086 58.000 0.019 0.000 1.279 244 F CB -0.824 38.172 39.000 -0.006 0.000 1.044 244 F HN -0.474 7.900 8.300 0.123 0.000 0.564 245 A N 3.491 126.129 122.820 -0.304 0.000 1.917 245 A HA -0.357 3.723 4.320 -0.399 0.000 0.219 245 A C 0.518 178.061 177.584 -0.069 0.000 1.182 245 A CA 3.198 55.081 52.037 -0.257 0.000 0.633 245 A CB -0.444 18.443 19.000 -0.188 0.000 0.819 245 A HN -0.351 7.841 8.150 -0.247 -0.190 0.448 246 K N -7.209 113.190 120.400 -0.002 0.000 2.399 246 K HA 0.179 4.524 4.320 0.042 0.000 0.204 246 K C -0.282 176.370 176.600 0.088 0.000 1.023 246 K CA -0.897 55.416 56.287 0.043 0.000 1.127 246 K CB -0.057 32.465 32.500 0.037 0.000 0.856 246 K HN 0.151 8.825 8.250 -0.005 -0.426 0.514 247 A N -0.641 122.256 122.820 0.128 0.000 2.229 247 A HA 0.259 4.664 4.320 0.141 0.000 0.211 247 A C 1.121 178.844 177.584 0.232 0.000 1.193 247 A CA 1.513 53.654 52.037 0.172 0.000 0.879 247 A CB 0.657 19.767 19.000 0.183 0.000 0.911 247 A HN 0.052 8.056 8.150 0.118 0.218 0.492 248 R N -0.922 119.758 120.500 0.299 0.000 2.170 248 R HA -0.359 4.284 4.340 0.505 0.000 0.242 248 R C 1.544 178.024 176.300 0.300 0.000 1.145 248 R CA 3.187 59.524 56.100 0.396 0.000 0.984 248 R CB -0.782 29.755 30.300 0.395 0.000 0.869 248 R HN 0.229 8.662 8.270 0.271 0.000 0.455 249 E N -2.612 117.699 120.200 0.185 0.000 2.038 249 E HA -0.130 4.292 4.350 0.120 0.000 0.190 249 E C 0.842 177.521 176.600 0.131 0.000 0.967 249 E CA 1.696 58.172 56.400 0.128 0.000 0.816 249 E CB -0.407 29.340 29.700 0.078 0.000 0.784 249 E HN 0.231 8.647 8.360 0.166 0.044 0.456 250 K N -3.347 117.128 120.400 0.125 0.000 2.097 250 K HA -0.221 4.167 4.320 0.114 0.000 0.206 250 K C 0.402 177.084 176.600 0.137 0.000 1.049 250 K CA 2.189 58.550 56.287 0.123 0.000 0.933 250 K CB 0.343 32.913 32.500 0.118 0.000 0.717 250 K HN 0.106 8.429 8.250 0.122 0.000 0.442 251 V N -2.074 117.927 119.914 0.146 0.000 2.260 251 V HA 0.382 4.573 4.120 0.117 0.000 0.263 251 V C -1.735 174.434 176.094 0.126 0.000 1.036 251 V CA -3.337 59.039 62.300 0.128 0.000 0.874 251 V CB -0.304 31.588 31.823 0.116 0.000 1.116 251 V HN -0.002 8.162 8.190 0.160 0.122 0.454 252 P HA -0.016 4.725 4.420 0.272 -0.158 0.228 252 P C 1.001 178.153 177.300 -0.246 0.000 1.151 252 P CA 1.372 64.523 63.100 0.085 0.000 0.770 252 P CB 0.301 32.112 31.700 0.186 0.000 0.786 253 K N -2.438 117.890 120.400 -0.119 0.000 2.459 253 K HA 0.009 4.203 4.320 -0.210 0.000 0.193 253 K C 1.257 177.742 176.600 -0.192 0.000 1.030 253 K CA 2.047 58.241 56.287 -0.155 0.000 1.026 253 K CB -0.883 31.583 32.500 -0.057 0.000 0.809 253 K HN 0.062 8.222 8.250 -0.016 0.081 0.504 254 L N -3.454 117.668 121.223 -0.168 0.000 2.567 254 L HA 0.143 4.341 4.340 -0.237 0.000 0.225 254 L C 0.452 177.041 176.870 -0.469 0.000 1.119 254 L CA 0.333 55.041 54.840 -0.219 0.000 0.871 254 L CB 0.055 42.092 42.059 -0.037 0.000 1.036 254 L HN -0.288 7.721 8.230 -0.092 0.166 0.459 255 H N -5.437 113.469 119.070 -0.273 0.000 2.549 255 H HA 0.207 4.303 4.556 -0.767 0.000 0.279 255 H C 0.526 175.739 175.328 -0.192 0.000 1.018 255 H CA -0.051 55.812 56.048 -0.309 0.000 1.175 255 H CB 0.034 29.838 29.762 0.069 0.000 1.485 255 H HN -0.687 7.317 8.280 -0.393 0.040 0.543 256 S N -0.358 115.172 115.700 -0.283 0.000 2.578 256 S HA 0.020 4.458 4.470 -0.055 0.000 0.231 256 S C 0.112 174.629 174.600 -0.139 0.000 0.994 256 S CA -0.823 57.277 58.200 -0.167 0.000 0.956 256 S CB 0.211 63.284 63.200 -0.212 0.000 0.870 256 S HN -0.120 7.893 8.310 -0.375 0.073 0.494 257 I N -0.795 119.664 120.570 -0.185 0.000 3.378 257 I HA -0.053 4.051 4.170 -0.111 0.000 0.284 257 I C -0.317 175.744 176.117 -0.095 0.000 1.157 257 I CA -0.754 60.459 61.300 -0.145 0.000 1.193 257 I CB 0.042 37.926 38.000 -0.192 0.000 1.461 257 I HN -0.721 7.262 8.210 -0.265 0.068 0.674 258 R N 2.699 123.165 120.500 -0.057 0.000 2.233 258 R HA 0.207 4.529 4.340 -0.030 0.000 0.334 258 R C -0.474 175.825 176.300 -0.001 0.000 1.037 258 R CA -0.837 55.247 56.100 -0.028 0.000 0.920 258 R CB -0.710 29.579 30.300 -0.019 0.000 1.137 258 R HN 0.085 8.476 8.270 -0.051 -0.152 0.492 259 D N 1.671 122.075 120.400 0.007 0.000 2.216 259 D HA -0.161 4.530 4.640 0.085 0.000 0.208 259 D C 0.923 177.241 176.300 0.031 0.000 0.960 259 D CA 1.198 55.227 54.000 0.048 0.000 0.861 259 D CB 0.100 40.941 40.800 0.069 0.000 0.985 259 D HN 0.219 8.584 8.370 -0.009 0.000 0.493 260 R N 0.897 121.405 120.500 0.013 0.000 2.083 260 R HA -0.246 4.099 4.340 0.009 0.000 0.237 260 R C -0.345 175.953 176.300 -0.003 0.000 1.137 260 R CA 1.250 57.353 56.100 0.005 0.000 0.951 260 R CB -0.020 30.279 30.300 -0.001 0.000 0.851 260 R HN 0.085 8.361 8.270 0.009 0.000 0.434 261 N N -2.229 116.467 118.700 -0.007 0.000 2.533 261 N HA -0.004 4.723 4.740 -0.021 0.000 0.289 261 N C -1.462 174.041 175.510 -0.012 0.000 1.103 261 N CA 0.290 53.331 53.050 -0.014 0.000 0.877 261 N CB 0.409 38.888 38.487 -0.013 0.000 1.419 261 N HN -0.418 7.960 8.380 -0.004 0.000 0.517 262 G N 4.499 113.285 108.800 -0.023 0.000 2.492 262 G HA2 -0.155 3.795 3.960 -0.016 0.000 0.283 262 G HA3 -0.155 3.808 3.960 0.006 0.000 0.283 262 G C -0.851 174.036 174.900 -0.020 0.000 1.274 262 G CA -0.040 45.051 45.100 -0.014 0.000 1.215 262 G HN 0.051 8.317 8.290 -0.041 0.000 0.598 263 T N 3.711 118.200 114.554 -0.107 0.000 2.914 263 T HA -0.082 4.234 4.350 -0.056 0.000 0.240 263 T C 0.780 175.456 174.700 -0.040 0.000 1.025 263 T CA 1.793 63.815 62.100 -0.130 0.000 1.198 263 T CB 0.433 69.145 68.868 -0.261 0.000 0.892 263 T HN 0.132 8.263 8.240 -0.182 0.000 0.417 264 H N -0.816 118.257 119.070 0.004 0.000 2.529 264 H HA 0.218 4.787 4.556 0.022 0.000 0.277 264 H C 1.098 176.433 175.328 0.012 0.000 1.004 264 H CA -0.835 55.220 56.048 0.010 0.000 1.167 264 H CB 0.052 29.814 29.762 -0.000 0.000 1.445 264 H HN -0.270 7.676 8.280 -0.557 0.000 0.554 265 L N 1.033 122.398 121.223 0.236 0.000 2.023 265 L HA -0.356 4.075 4.340 0.153 0.000 0.205 265 L C 1.383 178.301 176.870 0.080 0.000 1.073 265 L CA 3.604 58.531 54.840 0.145 0.000 0.745 265 L CB -0.060 42.053 42.059 0.091 0.000 0.900 265 L HN -0.314 7.919 8.230 0.139 0.080 0.435 266 D N -2.915 117.527 120.400 0.070 0.000 2.219 266 D HA -0.302 4.351 4.640 0.023 0.000 0.205 266 D C 0.888 177.220 176.300 0.053 0.000 0.970 266 D CA 3.187 57.214 54.000 0.045 0.000 0.851 266 D CB -0.918 39.904 40.800 0.037 0.000 0.943 266 D HN 0.478 8.892 8.370 0.073 0.000 0.488 267 A N -3.370 119.499 122.820 0.082 0.000 2.014 267 A HA 0.075 4.436 4.320 0.069 0.000 0.210 267 A C 0.935 178.553 177.584 0.056 0.000 1.188 267 A CA 1.188 53.272 52.037 0.079 0.000 0.731 267 A CB 0.424 19.490 19.000 0.110 0.000 0.858 267 A HN -0.029 8.153 8.150 0.106 0.031 0.464 268 G N -1.995 106.836 108.800 0.051 0.000 2.494 268 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.216 268 G HA3 -0.185 3.841 3.960 -0.023 -0.080 0.216 268 G C 0.482 175.381 174.900 -0.002 0.000 1.140 268 G CA 0.991 46.094 45.100 0.006 0.000 0.801 268 G HN 0.103 8.329 8.290 0.083 0.113 0.536 269 A N 1.924 124.746 122.820 0.004 0.000 1.978 269 A HA -0.237 4.064 4.320 -0.032 0.000 0.220 269 A C 1.463 179.031 177.584 -0.027 0.000 1.170 269 A CA 3.318 55.343 52.037 -0.020 0.000 0.636 269 A CB -0.557 18.431 19.000 -0.021 0.000 0.810 269 A HN 0.341 8.400 8.150 0.021 0.104 0.448 270 L N -5.534 115.691 121.223 0.004 0.000 2.131 270 L HA -0.236 4.102 4.340 -0.004 0.000 0.206 270 L C 2.291 179.245 176.870 0.139 0.000 1.087 270 L CA 2.957 57.821 54.840 0.040 0.000 0.767 270 L CB -0.339 41.745 42.059 0.043 0.000 0.917 270 L HN -0.462 7.750 8.230 0.014 0.026 0.441 271 T N 0.890 115.500 114.554 0.093 0.000 2.770 271 T HA -0.291 4.164 4.350 0.175 0.000 0.263 271 T C 1.945 176.706 174.700 0.102 0.000 1.039 271 T CA 4.672 66.838 62.100 0.111 0.000 1.142 271 T CB -0.033 68.853 68.868 0.029 0.000 0.868 271 T HN -0.699 7.475 8.240 0.047 0.094 0.435 272 T N 2.520 117.083 114.554 0.015 0.000 2.778 272 T HA -0.353 3.977 4.350 -0.033 0.000 0.269 272 T C 1.484 176.138 174.700 -0.076 0.000 1.050 272 T CA 4.543 66.622 62.100 -0.035 0.000 1.137 272 T CB -0.137 68.696 68.868 -0.058 0.000 0.860 272 T HN 0.474 8.604 8.240 0.001 0.111 0.468 273 T N 2.877 117.361 114.554 -0.117 0.000 2.759 273 T HA -0.320 3.860 4.350 -0.283 0.000 0.269 273 T C 1.069 175.493 174.700 -0.461 0.000 1.042 273 T CA 4.511 66.423 62.100 -0.313 0.000 1.140 273 T CB -0.047 68.564 68.868 -0.427 0.000 0.864 273 T HN -0.451 7.725 8.240 -0.061 0.027 0.455 274 F N -0.917 118.949 119.950 -0.138 0.000 2.473 274 F HA -0.106 4.273 4.527 -0.246 0.000 0.294 274 F C 1.365 177.139 175.800 -0.044 0.000 1.103 274 F CA 2.953 60.880 58.000 -0.121 0.000 1.442 274 F CB -0.110 38.861 39.000 -0.049 0.000 1.097 274 F HN -0.366 7.900 8.300 0.152 0.125 0.547 275 E N 1.039 121.290 120.200 0.085 0.000 2.038 275 E HA -0.393 3.988 4.350 0.051 0.000 0.195 275 E C 2.803 179.322 176.600 -0.134 0.000 1.000 275 E CA 3.417 59.819 56.400 0.004 0.000 0.803 275 E CB -0.246 29.444 29.700 -0.018 0.000 0.750 275 E HN 0.084 8.428 8.360 0.095 0.073 0.448 276 E N -1.706 118.388 120.200 -0.175 0.000 2.265 276 E HA -0.252 3.911 4.350 -0.312 0.000 0.196 276 E C 1.317 177.694 176.600 -0.373 0.000 0.996 276 E CA 2.161 58.400 56.400 -0.268 0.000 0.832 276 E CB -0.502 29.090 29.700 -0.181 0.000 0.756 276 E HN -0.135 8.144 8.360 -0.134 0.000 0.491 277 L N -2.209 118.878 121.223 -0.226 0.000 2.591 277 L HA 0.041 4.368 4.340 -0.022 0.000 0.228 277 L C -0.768 176.243 176.870 0.234 0.000 1.133 277 L CA -0.104 54.714 54.840 -0.037 0.000 0.880 277 L CB 0.064 42.038 42.059 -0.142 0.000 1.033 277 L HN -0.583 7.401 8.230 -0.177 0.139 0.450 278 H N -6.418 112.793 119.070 0.235 0.000 2.936 278 H HA -0.392 4.306 4.556 0.141 -0.057 0.276 278 H C -0.842 174.647 175.328 0.269 0.000 1.216 278 H CA 1.450 57.620 56.048 0.203 0.000 1.132 278 H CB -3.392 26.447 29.762 0.127 0.000 1.303 278 H HN -0.233 7.688 8.280 -0.266 0.199 0.370 279 F N -1.196 118.844 119.950 0.151 0.000 2.399 279 F HA -0.207 4.408 4.527 0.146 0.000 0.313 279 F C 0.244 176.066 175.800 0.036 0.000 1.202 279 F CA 0.567 58.656 58.000 0.148 0.000 1.192 279 F CB 0.623 39.799 39.000 0.293 0.000 1.256 279 F HN -0.113 8.495 8.300 0.553 0.024 0.558 280 E N 1.293 121.511 120.200 0.029 0.000 2.081 280 E HA 0.218 4.467 4.350 -0.168 0.000 0.281 280 E C -1.488 174.936 176.600 -0.293 0.000 0.986 280 E CA -1.083 55.175 56.400 -0.237 0.000 0.796 280 E CB 0.631 29.964 29.700 -0.612 0.000 1.085 280 E HN 0.270 8.647 8.360 0.027 0.000 0.398 281 I N 5.023 125.460 120.570 -0.222 0.000 2.460 281 I HA 0.346 4.501 4.170 -0.308 -0.169 0.298 281 I C 0.409 176.383 176.117 -0.239 0.000 0.989 281 I CA -1.404 59.758 61.300 -0.230 0.000 1.173 281 I CB 2.271 40.197 38.000 -0.123 0.000 1.338 281 I HN 0.403 8.517 8.210 -0.160 0.000 0.456 282 K N 5.699 125.964 120.400 -0.224 0.000 2.432 282 K HA 0.513 4.662 4.320 -0.285 0.000 0.226 282 K C -2.097 174.327 176.600 -0.293 0.000 1.057 282 K CA -3.162 52.971 56.287 -0.256 0.000 1.034 282 K CB 0.482 32.912 32.500 -0.118 0.000 1.561 282 K HN 0.811 8.930 8.250 -0.217 0.000 0.492 283 P HA 0.251 4.803 4.420 -0.068 -0.172 0.276 283 P C -0.743 176.408 177.300 -0.248 0.000 1.264 283 P CA -0.416 62.591 63.100 -0.156 0.000 0.769 283 P CB 0.248 31.897 31.700 -0.084 0.000 0.840 284 H N 5.282 124.375 119.070 0.039 0.000 2.463 284 H HA 0.207 4.788 4.556 0.041 0.000 0.332 284 H C -0.485 174.875 175.328 0.053 0.000 1.127 284 H CA -0.368 55.708 56.048 0.047 0.000 1.238 284 H CB 3.248 33.045 29.762 0.057 0.000 1.478 284 H HN 0.702 9.044 8.280 0.102 0.000 0.499 285 D N 1.458 121.964 120.400 0.176 0.000 2.325 285 D HA -0.115 4.591 4.640 0.111 0.000 0.262 285 D C -0.287 176.089 176.300 0.127 0.000 1.263 285 D CA 0.587 54.663 54.000 0.125 0.000 1.020 285 D CB 0.712 41.570 40.800 0.095 0.000 1.117 285 D HN 0.237 8.717 8.370 0.184 0.000 0.545 286 D N -1.196 119.269 120.400 0.108 0.000 2.389 286 D HA -0.239 4.468 4.640 0.111 0.000 0.278 286 D C -1.239 175.108 176.300 0.077 0.000 1.398 286 D CA 0.938 54.998 54.000 0.100 0.000 1.090 286 D CB -1.824 39.035 40.800 0.099 0.000 1.108 286 D HN 0.146 8.575 8.370 0.098 0.000 0.532 287 C N 4.660 124.004 119.300 0.073 0.000 2.321 287 C HA 0.194 4.677 4.460 0.038 0.000 0.323 287 C C -0.821 174.193 174.990 0.040 0.000 1.191 287 C CA -0.620 58.425 59.018 0.046 0.000 1.455 287 C CB 2.730 30.488 27.740 0.030 0.000 2.083 287 C HN -0.159 8.122 8.230 0.087 0.000 0.442 288 T N 2.365 116.937 114.554 0.030 0.000 2.734 288 T HA -0.163 4.208 4.350 0.036 0.000 0.314 288 T C 1.256 175.967 174.700 0.018 0.000 1.057 288 T CA -0.809 61.305 62.100 0.024 0.000 1.047 288 T CB 0.769 69.642 68.868 0.009 0.000 0.991 288 T HN 0.093 8.348 8.240 0.024 0.000 0.540 289 V N 1.605 121.531 119.914 0.020 0.000 2.370 289 V HA -0.498 3.666 4.120 0.073 0.000 0.252 289 V C 1.122 177.210 176.094 -0.009 0.000 1.068 289 V CA 3.355 65.677 62.300 0.036 0.000 1.061 289 V CB -0.215 31.631 31.823 0.039 0.000 0.656 289 V HN 0.618 8.821 8.190 0.023 0.000 0.455 290 E N -2.531 117.611 120.200 -0.097 0.000 2.118 290 E HA -0.360 3.753 4.350 -0.396 0.000 0.195 290 E C 1.673 178.228 176.600 -0.074 0.000 0.992 290 E CA 2.815 59.103 56.400 -0.186 0.000 0.804 290 E CB -0.304 29.309 29.700 -0.145 0.000 0.741 290 E HN 0.478 8.773 8.360 -0.069 0.023 0.458 291 Q N -2.868 116.923 119.800 -0.014 0.000 2.187 291 Q HA -0.102 4.244 4.340 0.010 0.000 0.199 291 Q C 2.726 178.745 176.000 0.032 0.000 0.957 291 Q CA 1.777 57.586 55.803 0.009 0.000 0.857 291 Q CB 0.017 28.756 28.738 0.002 0.000 0.929 291 Q HN -0.274 7.863 8.270 -0.015 0.124 0.453 292 I N 1.107 121.715 120.570 0.064 0.000 2.423 292 I HA -0.407 3.761 4.170 -0.004 0.000 0.254 292 I C 2.166 178.376 176.117 0.155 0.000 1.151 292 I CA 1.925 63.275 61.300 0.083 0.000 1.421 292 I CB -1.628 36.439 38.000 0.110 0.000 1.079 292 I HN -0.152 8.007 8.210 0.058 0.086 0.431 293 Y N 0.001 120.287 120.300 -0.024 0.000 2.241 293 Y HA -0.448 4.098 4.550 -0.006 0.000 0.286 293 Y C 1.842 177.710 175.900 -0.053 0.000 1.166 293 Y CA 2.413 60.499 58.100 -0.023 0.000 1.203 293 Y CB -1.256 37.196 38.460 -0.014 0.000 0.977 293 Y HN -0.576 7.913 8.280 0.389 0.024 0.529 294 E N -2.946 117.303 120.200 0.081 0.000 2.418 294 E HA -0.185 4.168 4.350 0.006 0.000 0.197 294 E C 1.371 177.913 176.600 -0.097 0.000 1.026 294 E CA 1.392 57.788 56.400 -0.006 0.000 0.862 294 E CB -0.771 28.927 29.700 -0.003 0.000 0.799 294 E HN -0.218 8.059 8.360 0.098 0.142 0.518 295 I N -2.447 118.032 120.570 -0.152 0.000 3.081 295 I HA -0.114 3.881 4.170 -0.291 0.000 0.274 295 I C 1.334 177.083 176.117 -0.612 0.000 1.178 295 I CA 1.782 62.898 61.300 -0.306 0.000 1.460 295 I CB 0.584 38.455 38.000 -0.214 0.000 1.137 295 I HN -0.227 7.746 8.210 -0.083 0.188 0.443 296 L N -0.156 120.878 121.223 -0.316 0.000 2.131 296 L HA -0.350 3.973 4.340 -0.028 0.000 0.210 296 L C 1.474 178.241 176.870 -0.171 0.000 1.092 296 L CA 2.740 57.475 54.840 -0.175 0.000 0.759 296 L CB -0.744 41.252 42.059 -0.106 0.000 0.903 296 L HN -0.467 7.577 8.230 -0.154 0.094 0.435 297 K N -3.696 116.594 120.400 -0.183 0.000 2.228 297 K HA -0.153 4.144 4.320 -0.039 0.000 0.202 297 K C 1.827 178.351 176.600 -0.128 0.000 1.051 297 K CA 2.517 58.743 56.287 -0.101 0.000 0.960 297 K CB -0.395 32.067 32.500 -0.063 0.000 0.743 297 K HN -0.800 7.324 8.250 -0.180 0.017 0.458 298 I N 0.653 121.068 120.570 -0.258 0.000 2.286 298 I HA -0.515 3.604 4.170 -0.086 0.000 0.248 298 I C 2.009 178.062 176.117 -0.107 0.000 1.115 298 I CA 3.275 64.466 61.300 -0.182 0.000 1.392 298 I CB -0.279 37.617 38.000 -0.174 0.000 1.065 298 I HN -0.637 7.238 8.210 -0.368 0.114 0.418 299 Y N -4.109 116.193 120.300 0.003 0.000 2.193 299 Y HA -0.466 3.980 4.550 -0.173 0.000 0.285 299 Y C 2.373 178.237 175.900 -0.060 0.000 1.166 299 Y CA 1.842 59.886 58.100 -0.093 0.000 1.181 299 Y CB -1.574 36.809 38.460 -0.128 0.000 0.976 299 Y HN -0.666 7.142 8.280 -0.787 0.000 0.520 300 Q N -1.173 118.703 119.800 0.127 0.000 2.096 300 Q HA -0.247 4.142 4.340 0.082 0.000 0.197 300 Q C 2.409 178.413 176.000 0.007 0.000 0.964 300 Q CA 2.436 58.282 55.803 0.072 0.000 0.838 300 Q CB 0.055 28.837 28.738 0.073 0.000 0.906 300 Q HN -0.699 7.512 8.270 0.107 0.124 0.444 301 L N -0.898 120.317 121.223 -0.013 0.000 2.187 301 L HA -0.284 4.038 4.340 -0.031 0.000 0.213 301 L C 1.869 178.690 176.870 -0.082 0.000 1.100 301 L CA 2.726 57.544 54.840 -0.036 0.000 0.765 301 L CB -0.577 41.465 42.059 -0.029 0.000 0.904 301 L HN -0.440 7.707 8.230 -0.010 0.076 0.437 302 M N -3.345 116.183 119.600 -0.119 0.000 2.156 302 M HA -0.195 4.096 4.480 -0.314 0.000 0.264 302 M C 0.218 176.305 176.300 -0.355 0.000 1.067 302 M CA 1.611 56.724 55.300 -0.310 0.000 1.131 302 M CB 0.282 32.646 32.600 -0.393 0.000 1.368 302 M HN -0.424 7.803 8.290 -0.063 0.026 0.416 303 D N -3.908 116.382 120.400 -0.183 0.000 2.701 303 D HA -0.366 4.248 4.640 -0.042 0.000 0.235 303 D C -1.227 175.018 176.300 -0.091 0.000 1.155 303 D CA 0.998 54.939 54.000 -0.099 0.000 0.649 303 D CB -1.117 39.644 40.800 -0.065 0.000 1.050 303 D HN -0.521 7.782 8.370 -0.112 0.000 0.425 304 H N -1.266 117.767 119.070 -0.063 0.000 3.217 304 H HA -0.124 4.390 4.556 -0.069 0.000 0.272 304 H C 0.564 175.865 175.328 -0.046 0.000 0.929 304 H CA 0.715 56.723 56.048 -0.066 0.000 1.425 304 H CB -0.397 29.317 29.762 -0.079 0.000 1.505 304 H HN 0.036 8.244 8.280 -0.090 0.019 0.542 305 S N 5.400 121.146 115.700 0.076 0.000 2.404 305 S HA -0.161 4.327 4.470 0.030 0.000 0.223 305 S C 1.231 175.849 174.600 0.029 0.000 1.040 305 S CA 2.555 60.777 58.200 0.037 0.000 0.957 305 S CB 0.289 63.498 63.200 0.016 0.000 0.826 305 S HN 0.430 8.775 8.310 0.057 0.000 0.491 306 N N 0.244 118.964 118.700 0.033 0.000 2.436 306 N HA -0.051 4.689 4.740 -0.001 0.000 0.178 306 N C 0.173 175.673 175.510 -0.017 0.000 1.026 306 N CA 0.579 53.633 53.050 0.007 0.000 0.880 306 N CB 0.043 38.533 38.487 0.005 0.000 1.061 306 N HN -0.042 8.370 8.380 0.054 0.000 0.434 307 M N 1.839 121.424 119.600 -0.024 0.000 2.474 307 M HA -0.168 4.241 4.480 -0.119 0.000 0.352 307 M C -0.881 175.348 176.300 -0.117 0.000 1.690 307 M CA 0.992 56.216 55.300 -0.126 0.000 1.112 307 M CB -0.738 31.653 32.600 -0.349 0.000 2.062 307 M HN -0.029 8.282 8.290 0.036 0.000 0.461 308 D N -0.920 119.417 120.400 -0.105 0.000 2.501 308 D HA 0.020 4.623 4.640 -0.062 0.000 0.224 308 D C -1.195 175.046 176.300 -0.098 0.000 1.202 308 D CA -1.430 52.519 54.000 -0.085 0.000 0.829 308 D CB -0.352 40.401 40.800 -0.078 0.000 1.023 308 D HN 0.185 8.489 8.370 -0.109 0.000 0.499 309 C N -3.188 116.052 119.300 -0.100 0.000 2.547 309 C HA 0.282 4.709 4.460 -0.055 0.000 0.313 309 C C -1.942 173.152 174.990 0.173 0.000 1.191 309 C CA -1.300 57.673 59.018 -0.076 0.000 1.474 309 C CB 2.763 30.291 27.740 -0.353 0.000 2.081 309 C HN -0.707 7.386 8.230 -0.114 0.068 0.476 310 F N 3.055 123.093 119.950 0.146 0.000 2.703 310 F HA 0.246 4.844 4.527 0.118 0.000 0.308 310 F C -2.954 172.848 175.800 0.003 0.000 1.126 310 F CA -0.334 57.703 58.000 0.062 0.000 0.959 310 F CB 4.027 42.955 39.000 -0.120 0.000 1.297 310 F HN 0.154 8.736 8.300 0.470 0.000 0.441 311 I N 0.892 121.284 120.570 -0.297 0.000 2.534 311 I HA 0.463 4.650 4.170 -0.326 -0.213 0.288 311 I C -1.831 174.159 176.117 -0.212 0.000 1.077 311 I CA -0.794 60.339 61.300 -0.278 0.000 1.051 311 I CB 3.792 41.647 38.000 -0.242 0.000 1.234 311 I HN -0.130 7.456 8.210 -1.040 0.000 0.425 312 C N 6.271 125.434 119.300 -0.229 0.000 2.264 312 C HA 0.276 4.800 4.460 0.106 0.000 0.322 312 C C -1.743 173.315 174.990 0.113 0.000 1.210 312 C CA -0.573 58.428 59.018 -0.029 0.000 1.539 312 C CB 1.671 29.333 27.740 -0.131 0.000 2.167 312 C HN 0.874 8.694 8.230 -0.504 0.107 0.463 313 C N 8.463 127.866 119.300 0.171 0.000 2.264 313 C HA 0.490 5.311 4.460 0.280 -0.193 0.322 313 C C -1.642 173.464 174.990 0.192 0.000 1.210 313 C CA -1.412 57.741 59.018 0.225 0.000 1.539 313 C CB 0.629 28.501 27.740 0.220 0.000 2.167 313 C HN 0.174 8.489 8.230 0.142 0.000 0.463 314 I N 7.514 128.205 120.570 0.203 0.000 2.412 314 I HA 0.259 4.485 4.170 0.092 0.000 0.296 314 I C -0.598 175.577 176.117 0.095 0.000 0.987 314 I CA -1.843 59.519 61.300 0.103 0.000 1.180 314 I CB 1.066 39.051 38.000 -0.024 0.000 1.340 314 I HN -0.090 8.277 8.210 0.262 0.000 0.455 315 L N 5.584 126.837 121.223 0.050 0.000 2.145 315 L HA -0.077 4.322 4.340 0.098 0.000 0.201 315 L C -0.112 176.782 176.870 0.039 0.000 1.075 315 L CA 1.393 56.272 54.840 0.066 0.000 0.773 315 L CB 0.981 43.079 42.059 0.065 0.000 0.936 315 L HN 0.314 8.567 8.230 0.038 0.000 0.451 316 S N -1.044 114.631 115.700 -0.042 0.000 2.405 316 S HA 0.012 4.505 4.470 0.038 0.000 0.291 316 S C -1.208 173.292 174.600 -0.167 0.000 1.137 316 S CA 0.750 58.926 58.200 -0.040 0.000 1.061 316 S CB -0.063 63.128 63.200 -0.014 0.000 1.001 316 S HN -0.397 7.888 8.310 -0.042 0.000 0.507 317 H N 6.025 125.123 119.070 0.046 0.000 2.934 317 H HA 0.085 4.660 4.556 0.032 0.000 0.340 317 H C -0.687 174.671 175.328 0.049 0.000 1.008 317 H CA -0.894 55.170 56.048 0.026 0.000 1.317 317 H CB 3.850 33.593 29.762 -0.032 0.000 1.670 317 H HN -0.011 8.355 8.280 0.145 0.000 0.516 318 G N 2.197 111.119 108.800 0.203 0.000 2.651 318 G HA2 -0.177 3.867 3.960 0.139 0.000 0.260 318 G HA3 -0.177 3.875 3.960 0.152 0.000 0.260 318 G C -1.100 173.888 174.900 0.147 0.000 1.216 318 G CA -0.957 44.238 45.100 0.158 0.000 0.913 318 G HN -0.793 7.830 8.290 0.220 -0.201 0.535 319 D N -0.433 120.043 120.400 0.127 0.000 2.370 319 D HA -0.059 4.654 4.640 0.122 0.000 0.230 319 D C -0.733 175.641 176.300 0.123 0.000 1.143 319 D CA -0.349 53.725 54.000 0.123 0.000 0.834 319 D CB -0.049 40.822 40.800 0.118 0.000 0.944 319 D HN 0.234 8.674 8.370 0.116 0.000 0.504 320 K N -2.450 118.039 120.400 0.148 0.000 6.402 320 K HA -0.282 4.169 4.320 0.218 0.000 0.650 320 K C 0.225 176.887 176.600 0.104 0.000 1.670 320 K CA 1.048 57.436 56.287 0.169 0.000 1.619 320 K CB -1.938 30.681 32.500 0.198 0.000 1.825 320 K HN -0.014 8.217 8.250 0.159 0.114 0.338 321 G N 0.390 109.240 108.800 0.084 0.000 2.213 321 G HA2 -0.346 3.627 3.960 0.021 0.000 0.226 321 G HA3 -0.346 3.629 3.960 0.025 0.000 0.226 321 G C 0.027 174.936 174.900 0.015 0.000 0.992 321 G CA -0.460 44.661 45.100 0.035 0.000 0.632 321 G HN 0.205 8.562 8.290 0.111 0.000 0.511 322 I N -1.769 118.818 120.570 0.029 0.000 3.292 322 I HA -0.020 4.141 4.170 -0.014 0.000 0.279 322 I C 0.194 176.289 176.117 -0.037 0.000 1.268 322 I CA -0.549 60.754 61.300 0.004 0.000 1.342 322 I CB 0.333 38.353 38.000 0.034 0.000 1.366 322 I HN -0.618 7.546 8.210 0.058 0.080 0.615 323 I N -3.922 116.585 120.570 -0.105 0.000 3.079 323 I HA 0.184 4.186 4.170 -0.280 0.000 0.295 323 I C -0.154 175.887 176.117 -0.126 0.000 1.094 323 I CA -0.740 60.403 61.300 -0.261 0.000 1.295 323 I CB 0.569 38.290 38.000 -0.465 0.000 1.443 323 I HN -0.306 7.852 8.210 -0.087 0.000 0.607 324 Y N -2.098 118.222 120.300 0.035 0.000 2.641 324 Y HA 0.194 4.935 4.550 0.041 -0.167 0.351 324 Y C 0.998 176.916 175.900 0.029 0.000 1.269 324 Y CA -1.012 57.107 58.100 0.032 0.000 1.485 324 Y CB -0.518 37.953 38.460 0.018 0.000 1.364 324 Y HN 0.111 7.966 8.280 -0.707 0.000 0.651 325 G N -2.163 106.804 108.800 0.278 0.000 2.649 325 G HA2 0.279 4.361 3.960 0.204 0.000 0.290 325 G HA3 0.279 4.323 3.960 0.140 0.000 0.290 325 G C -1.593 173.362 174.900 0.092 0.000 1.426 325 G CA -0.419 44.785 45.100 0.175 0.000 0.794 325 G HN -0.745 7.597 8.290 0.231 0.087 0.483 326 T N 0.046 114.638 114.554 0.063 0.000 2.755 326 T HA -0.115 4.238 4.350 0.004 0.000 0.251 326 T C 1.151 175.873 174.700 0.035 0.000 1.044 326 T CA 3.704 65.820 62.100 0.028 0.000 1.154 326 T CB 0.427 69.305 68.868 0.017 0.000 0.866 326 T HN 0.144 8.430 8.240 0.076 0.000 0.416 327 D N -2.020 118.410 120.400 0.050 0.000 2.249 327 D HA -0.087 4.585 4.640 0.052 0.000 0.205 327 D C 1.396 177.738 176.300 0.069 0.000 0.962 327 D CA 2.327 56.364 54.000 0.061 0.000 0.860 327 D CB -0.031 40.814 40.800 0.075 0.000 0.955 327 D HN 0.058 8.460 8.370 0.053 0.000 0.505 328 G N -1.731 107.116 108.800 0.079 0.000 2.586 328 G HA2 -0.176 3.833 3.960 0.081 0.000 0.199 328 G HA3 -0.176 3.843 3.960 0.097 0.000 0.199 328 G C -2.361 172.582 174.900 0.071 0.000 1.614 328 G CA 0.412 45.562 45.100 0.083 0.000 0.921 328 G HN -0.409 7.930 8.290 0.082 0.000 0.428 329 Q N -2.586 117.269 119.800 0.091 0.000 2.426 329 Q HA 0.140 4.524 4.340 0.075 0.000 0.278 329 Q C -1.657 174.418 176.000 0.124 0.000 1.007 329 Q CA -0.561 55.299 55.803 0.095 0.000 0.850 329 Q CB 2.725 31.524 28.738 0.102 0.000 1.427 329 Q HN -0.262 8.073 8.270 0.107 0.000 0.391 330 E N -0.216 120.050 120.200 0.109 0.000 2.630 330 E HA 0.109 4.596 4.350 0.228 0.000 0.218 330 E C -1.155 175.521 176.600 0.126 0.000 0.977 330 E CA -0.263 56.221 56.400 0.140 0.000 1.038 330 E CB 0.276 30.013 29.700 0.062 0.000 1.051 330 E HN 0.364 8.768 8.360 0.073 0.000 0.487 331 A N 0.399 123.303 122.820 0.139 0.000 2.384 331 A HA 0.340 4.756 4.320 0.160 0.000 0.312 331 A C -2.238 175.463 177.584 0.195 0.000 1.113 331 A CA -2.396 49.752 52.037 0.184 0.000 0.779 331 A CB 1.299 20.475 19.000 0.293 0.000 1.307 331 A HN -0.536 7.699 8.150 0.142 0.000 0.436 332 P HA 0.155 4.691 4.420 0.193 0.000 0.263 332 P C -0.615 176.787 177.300 0.171 0.000 1.601 332 P CA -0.371 62.834 63.100 0.175 0.000 1.161 332 P CB -0.866 30.913 31.700 0.131 0.000 1.730 333 I N 3.321 124.004 120.570 0.188 0.000 2.185 333 I HA -0.524 3.702 4.170 0.094 0.000 0.246 333 I C 0.183 176.320 176.117 0.034 0.000 1.088 333 I CA 3.747 65.114 61.300 0.112 0.000 1.347 333 I CB 0.311 38.382 38.000 0.120 0.000 1.041 333 I HN -0.528 7.810 8.210 0.212 0.000 0.415 334 Y N -3.098 117.214 120.300 0.020 0.000 2.333 334 Y HA -0.287 4.210 4.550 -0.089 0.000 0.290 334 Y C 2.075 177.925 175.900 -0.083 0.000 1.144 334 Y CA 2.664 60.731 58.100 -0.056 0.000 1.228 334 Y CB -0.835 37.585 38.460 -0.068 0.000 0.985 334 Y HN -0.031 8.484 8.280 0.410 0.011 0.542 335 E N -0.858 119.392 120.200 0.084 0.000 2.051 335 E HA -0.315 4.021 4.350 -0.025 0.000 0.189 335 E C 1.787 178.321 176.600 -0.111 0.000 0.979 335 E CA 2.781 59.173 56.400 -0.013 0.000 0.803 335 E CB 0.163 29.866 29.700 0.005 0.000 0.761 335 E HN -0.290 7.981 8.360 0.122 0.162 0.451 336 L N -2.684 118.472 121.223 -0.112 0.000 2.012 336 L HA -0.307 3.871 4.340 -0.269 0.000 0.210 336 L C 2.808 179.480 176.870 -0.330 0.000 1.073 336 L CA 2.843 57.558 54.840 -0.209 0.000 0.748 336 L CB -0.000 41.978 42.059 -0.135 0.000 0.891 336 L HN -0.260 7.949 8.230 -0.034 0.000 0.431 337 T N -3.157 111.264 114.554 -0.221 0.000 2.962 337 T HA -0.266 3.969 4.350 -0.191 0.000 0.270 337 T C 1.934 176.416 174.700 -0.363 0.000 1.088 337 T CA 3.862 65.816 62.100 -0.243 0.000 1.127 337 T CB -0.289 68.481 68.868 -0.164 0.000 0.883 337 T HN 0.227 8.390 8.240 -0.129 0.000 0.493 338 S N 0.649 116.172 115.700 -0.294 0.000 2.607 338 S HA -0.045 4.320 4.470 -0.175 0.000 0.224 338 S C 0.722 175.141 174.600 -0.303 0.000 0.969 338 S CA 1.925 59.989 58.200 -0.226 0.000 0.927 338 S CB -0.534 62.595 63.200 -0.119 0.000 0.772 338 S HN -0.757 7.260 8.310 -0.232 0.154 0.533 339 Q N 0.155 119.618 119.800 -0.561 0.000 2.515 339 Q HA -0.158 4.014 4.340 -0.279 0.000 0.212 339 Q C 0.593 176.331 176.000 -0.436 0.000 0.970 339 Q CA 1.000 56.487 55.803 -0.527 0.000 0.941 339 Q CB -0.498 27.894 28.738 -0.577 0.000 0.998 339 Q HN -0.515 7.151 8.270 -0.708 0.179 0.518 340 F N -4.798 115.146 119.950 -0.010 0.000 2.678 340 F HA 0.295 4.833 4.527 0.017 0.000 0.305 340 F C -0.299 175.519 175.800 0.030 0.000 1.090 340 F CA -1.900 56.103 58.000 0.006 0.000 1.272 340 F CB -0.317 38.673 39.000 -0.015 0.000 1.060 340 F HN -0.960 6.926 8.300 -0.565 0.076 0.576 341 T N 3.457 118.070 114.554 0.099 0.000 2.902 341 T HA -0.147 4.276 4.350 0.121 0.000 0.301 341 T C 1.135 175.891 174.700 0.093 0.000 1.012 341 T CA 1.072 63.224 62.100 0.087 0.000 1.151 341 T CB 1.232 70.115 68.868 0.025 0.000 0.946 341 T HN -0.837 7.341 8.240 -0.003 0.059 0.542 342 G N 5.462 114.324 108.800 0.103 0.000 2.653 342 G HA2 -0.119 3.893 3.960 0.086 0.000 0.212 342 G HA3 -0.119 3.889 3.960 0.080 0.000 0.212 342 G C -0.588 174.343 174.900 0.051 0.000 1.138 342 G CA 1.405 46.553 45.100 0.081 0.000 0.782 342 G HN 0.666 9.031 8.290 0.126 0.000 0.535 343 L N -3.498 117.750 121.223 0.041 0.000 2.638 343 L HA 0.203 4.557 4.340 0.024 0.000 0.232 343 L C 0.318 177.199 176.870 0.018 0.000 1.099 343 L CA 0.991 55.846 54.840 0.025 0.000 0.883 343 L CB 0.003 42.073 42.059 0.018 0.000 1.136 343 L HN -0.661 7.504 8.230 0.046 0.093 0.492 344 K N -1.106 119.306 120.400 0.020 0.000 2.344 344 K HA 0.082 4.405 4.320 0.005 0.000 0.200 344 K C -0.240 176.371 176.600 0.019 0.000 1.132 344 K CA 0.655 56.947 56.287 0.009 0.000 0.935 344 K CB 2.409 34.903 32.500 -0.010 0.000 1.089 344 K HN 0.007 8.156 8.250 0.030 0.119 0.496 345 C N 0.908 120.232 119.300 0.040 0.000 3.430 345 C HA 0.337 4.824 4.460 0.044 0.000 0.268 345 C C -2.269 172.770 174.990 0.083 0.000 1.101 345 C CA -2.092 56.961 59.018 0.058 0.000 1.286 345 C CB 1.228 29.007 27.740 0.065 0.000 1.795 345 C HN 0.302 8.561 8.230 0.048 0.000 0.569 346 P HA 0.148 4.622 4.420 0.090 0.000 0.252 346 P C -1.677 175.660 177.300 0.062 0.000 1.694 346 P CA 0.281 63.422 63.100 0.069 0.000 1.163 346 P CB -1.463 30.268 31.700 0.050 0.000 1.934 347 S N 2.084 117.829 115.700 0.076 0.000 3.066 347 S HA 0.104 4.600 4.470 0.043 0.000 0.235 347 S C 1.200 175.830 174.600 0.051 0.000 0.995 347 S CA 0.612 58.847 58.200 0.058 0.000 0.835 347 S CB 1.577 64.814 63.200 0.061 0.000 0.814 347 S HN 0.182 8.502 8.310 0.104 0.052 0.594 348 L N 2.351 123.608 121.223 0.056 0.000 2.313 348 L HA 0.025 4.368 4.340 0.005 0.000 0.214 348 L C 1.823 178.736 176.870 0.072 0.000 1.119 348 L CA 0.819 55.671 54.840 0.020 0.000 0.809 348 L CB -0.790 41.214 42.059 -0.092 0.000 0.933 348 L HN 0.373 8.654 8.230 0.085 0.000 0.449 349 A N -2.511 120.380 122.820 0.119 0.000 2.076 349 A HA -0.237 4.213 4.320 0.216 0.000 0.220 349 A C 1.044 178.655 177.584 0.044 0.000 1.160 349 A CA 1.621 53.738 52.037 0.133 0.000 0.653 349 A CB -0.376 18.707 19.000 0.139 0.000 0.801 349 A HN 0.215 8.414 8.150 0.126 0.027 0.455 350 G N -3.154 105.663 108.800 0.027 0.000 2.559 350 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.216 350 G HA3 -0.190 3.773 3.960 0.005 0.000 0.216 350 G C -0.328 174.560 174.900 -0.021 0.000 1.126 350 G CA 0.334 45.433 45.100 -0.000 0.000 0.778 350 G HN -0.133 8.136 8.290 0.040 0.045 0.543 351 K N -1.152 119.236 120.400 -0.020 0.000 2.482 351 K HA 0.604 4.888 4.320 -0.060 0.000 0.257 351 K C -2.872 173.700 176.600 -0.046 0.000 0.969 351 K CA -3.499 52.764 56.287 -0.039 0.000 0.842 351 K CB 0.516 32.998 32.500 -0.029 0.000 1.359 351 K HN -0.389 7.695 8.250 0.007 0.171 0.441 352 P HA 0.208 4.547 4.420 -0.333 -0.119 0.275 352 P C -0.685 176.713 177.300 0.163 0.000 1.266 352 P CA -0.512 62.544 63.100 -0.074 0.000 0.793 352 P CB 1.012 32.673 31.700 -0.065 0.000 1.074 353 K N -3.344 117.282 120.400 0.376 0.000 2.536 353 K HA 0.314 4.740 4.320 0.176 0.000 0.269 353 K C -1.715 174.993 176.600 0.182 0.000 0.965 353 K CA -0.980 55.474 56.287 0.278 0.000 0.860 353 K CB 3.987 36.634 32.500 0.244 0.000 1.423 353 K HN -0.131 8.387 8.250 0.447 0.000 0.438 354 V N 0.486 120.289 119.914 -0.185 0.000 2.735 354 V HA 0.626 4.884 4.120 -0.080 -0.186 0.310 354 V C -1.480 174.191 176.094 -0.706 0.000 1.061 354 V CA -1.381 60.723 62.300 -0.327 0.000 0.913 354 V CB 3.091 34.627 31.823 -0.479 0.000 1.005 354 V HN 0.134 8.188 8.190 -0.226 0.000 0.428 355 F N 3.647 123.458 119.950 -0.231 0.000 2.553 355 F HA 0.544 5.239 4.527 -0.084 -0.218 0.335 355 F C -1.187 174.506 175.800 -0.178 0.000 1.148 355 F CA -1.836 56.078 58.000 -0.144 0.000 0.963 355 F CB 2.485 41.454 39.000 -0.052 0.000 1.217 355 F HN 0.772 9.077 8.300 0.009 0.000 0.441 356 F N 3.557 123.580 119.950 0.121 0.000 2.385 356 F HA 0.208 4.771 4.527 0.061 0.000 0.336 356 F C -0.473 175.379 175.800 0.087 0.000 1.100 356 F CA -0.229 57.818 58.000 0.078 0.000 1.116 356 F CB 1.522 40.552 39.000 0.050 0.000 1.166 356 F HN -0.077 8.319 8.300 0.161 0.000 0.511 357 I N 0.677 121.409 120.570 0.270 0.000 2.533 357 I HA 0.200 4.464 4.170 0.158 0.000 0.290 357 I C -0.657 175.520 176.117 0.101 0.000 1.056 357 I CA -0.949 60.426 61.300 0.125 0.000 1.057 357 I CB 3.182 41.158 38.000 -0.039 0.000 1.240 357 I HN 0.342 8.742 8.210 0.317 0.000 0.423 358 Q N 7.319 127.168 119.800 0.081 0.000 2.489 358 Q HA -0.049 4.327 4.340 0.059 0.000 0.231 358 Q C 0.033 176.052 176.000 0.032 0.000 1.273 358 Q CA 0.228 56.063 55.803 0.055 0.000 0.898 358 Q CB -1.183 27.581 28.738 0.045 0.000 1.545 358 Q HN 0.811 9.142 8.270 0.101 0.000 0.538 359 A N 4.244 127.096 122.820 0.053 0.000 2.259 359 A HA -0.026 4.282 4.320 -0.019 0.000 0.208 359 A C 0.454 178.088 177.584 0.083 0.000 1.201 359 A CA 0.544 52.609 52.037 0.046 0.000 0.824 359 A CB -0.539 18.519 19.000 0.097 0.000 0.838 359 A HN 0.284 8.456 8.150 0.084 0.029 0.485 360 A N -1.111 121.761 122.820 0.086 0.000 1.927 360 A HA -0.237 4.254 4.320 0.195 -0.054 0.220 360 A C 0.333 177.960 177.584 0.071 0.000 1.185 360 A CA 1.628 53.726 52.037 0.102 0.000 0.639 360 A CB -0.309 18.715 19.000 0.040 0.000 0.820 360 A HN -0.234 7.860 8.150 0.065 0.094 0.451 361 Q N -3.650 116.165 119.800 0.025 0.000 2.434 361 Q HA -0.350 4.000 4.340 0.016 0.000 0.299 361 Q C 0.080 176.101 176.000 0.036 0.000 1.286 361 Q CA -0.086 55.733 55.803 0.027 0.000 0.872 361 Q CB -1.146 27.602 28.738 0.017 0.000 1.193 361 Q HN 0.222 8.476 8.270 0.008 0.020 0.466 362 G N -2.157 106.639 108.800 -0.006 0.000 2.450 362 G HA2 -0.192 3.758 3.960 -0.018 0.000 0.220 362 G HA3 -0.192 3.742 3.960 -0.044 0.000 0.220 362 G C -0.521 174.381 174.900 0.005 0.000 1.130 362 G CA 0.813 45.901 45.100 -0.019 0.000 0.760 362 G HN 0.374 8.631 8.290 -0.024 0.018 0.557 363 D N -1.934 118.470 120.400 0.007 0.000 2.450 363 D HA 0.130 4.825 4.640 0.092 0.000 0.238 363 D C -1.373 175.008 176.300 0.134 0.000 1.020 363 D CA -1.265 52.780 54.000 0.075 0.000 1.010 363 D CB 1.931 42.790 40.800 0.099 0.000 1.342 363 D HN -0.734 7.585 8.370 -0.027 0.035 0.530 364 N N -0.180 118.620 118.700 0.168 0.000 2.434 364 N HA -0.123 4.724 4.740 0.179 0.000 0.268 364 N C 1.036 176.645 175.510 0.165 0.000 1.256 364 N CA 0.533 53.675 53.050 0.153 0.000 0.914 364 N CB 0.228 38.770 38.487 0.092 0.000 1.088 364 N HN 0.198 8.684 8.380 0.176 0.000 0.478 365 Y N 2.786 123.125 120.300 0.066 0.000 2.529 365 Y HA -0.067 4.526 4.550 0.073 0.000 0.290 365 Y C -0.470 175.465 175.900 0.058 0.000 1.177 365 Y CA -1.005 57.131 58.100 0.060 0.000 1.305 365 Y CB -1.132 37.354 38.460 0.042 0.000 1.047 365 Y HN 0.378 8.915 8.280 0.429 0.000 0.522 366 Q N -1.501 118.058 119.800 -0.401 0.000 2.436 366 Q HA -0.161 3.919 4.340 -0.434 0.000 0.209 366 Q C 0.408 176.330 176.000 -0.130 0.000 0.965 366 Q CA 1.489 57.095 55.803 -0.329 0.000 0.910 366 Q CB 0.392 28.970 28.738 -0.267 0.000 0.980 366 Q HN -0.578 7.730 8.270 -0.320 -0.230 0.491 367 K N 0.056 120.425 120.400 -0.052 0.000 2.451 367 K HA -0.241 4.151 4.320 -0.069 -0.113 0.280 367 K C -0.172 176.425 176.600 -0.005 0.000 1.020 367 K CA 0.996 57.263 56.287 -0.033 0.000 1.008 367 K CB 0.093 32.590 32.500 -0.006 0.000 0.917 367 K HN -0.800 7.383 8.250 -0.016 0.058 0.478 368 G N 3.359 112.146 108.800 -0.021 0.000 1.882 368 G HA2 -0.037 4.009 3.960 0.016 0.000 0.256 368 G HA3 -0.037 3.930 3.960 0.011 0.000 0.256 368 G C -2.180 172.711 174.900 -0.016 0.000 2.065 368 G CA -0.054 45.046 45.100 -0.000 0.000 0.882 368 G HN -0.100 8.162 8.290 -0.047 0.000 0.574 369 I N 0.451 121.011 120.570 -0.017 0.000 2.957 369 I HA 0.493 4.648 4.170 -0.024 0.000 0.310 369 I C -1.469 174.637 176.117 -0.018 0.000 1.063 369 I CA -5.431 55.855 61.300 -0.023 0.000 1.033 369 I CB 0.862 38.842 38.000 -0.033 0.000 1.230 369 I HN -0.392 7.812 8.210 -0.010 0.000 0.447 370 P HA 0.094 4.492 4.420 -0.037 0.000 0.224 370 P C -0.743 176.545 177.300 -0.020 0.000 1.157 370 P CA 0.858 63.941 63.100 -0.029 0.000 0.799 370 P CB -0.072 31.608 31.700 -0.033 0.000 0.809 371 V N -1.174 118.732 119.914 -0.013 0.000 3.376 371 V HA -0.015 4.104 4.120 -0.001 0.000 0.303 371 V C -0.432 175.665 176.094 0.005 0.000 1.100 371 V CA -0.254 62.043 62.300 -0.005 0.000 1.126 371 V CB 0.718 32.536 31.823 -0.009 0.000 1.085 371 V HN -0.626 7.522 8.190 -0.017 0.031 0.480 372 E N 1.049 121.257 120.200 0.013 0.000 2.267 372 E HA 0.181 4.547 4.350 0.027 0.000 0.258 372 E C -0.815 175.791 176.600 0.011 0.000 1.074 372 E CA -1.031 55.382 56.400 0.021 0.000 0.915 372 E CB 0.992 30.711 29.700 0.032 0.000 1.186 372 E HN -0.036 8.330 8.360 0.011 0.000 0.439 373 T N -3.621 110.941 114.554 0.014 0.000 2.952 373 T HA 0.266 4.619 4.350 0.005 0.000 0.305 373 T C -1.907 172.796 174.700 0.005 0.000 1.064 373 T CA -2.090 60.015 62.100 0.008 0.000 1.008 373 T CB 2.150 71.023 68.868 0.010 0.000 1.078 373 T HN -0.489 7.763 8.240 0.020 0.000 0.459 374 D N 2.874 123.275 120.400 0.001 0.000 3.165 374 D HA -0.044 4.589 4.640 -0.013 0.000 0.264 374 D C -0.301 175.991 176.300 -0.013 0.000 1.363 374 D CA 1.025 55.020 54.000 -0.007 0.000 1.166 374 D CB 1.363 42.160 40.800 -0.004 0.000 1.291 374 D HN 0.253 8.625 8.370 0.004 0.000 0.390 375 S N 0.890 116.588 115.700 -0.003 0.000 2.567 375 S HA 0.190 4.653 4.470 -0.011 0.000 0.262 375 S C -0.068 174.540 174.600 0.013 0.000 1.237 375 S CA -0.127 58.072 58.200 -0.002 0.000 1.093 375 S CB -0.363 62.837 63.200 0.000 0.000 1.095 375 S HN -0.240 8.070 8.310 0.001 0.000 0.489 376 E N 4.396 124.607 120.200 0.018 0.000 2.609 376 E HA 0.252 4.644 4.350 0.070 0.000 0.208 376 E C -0.177 176.458 176.600 0.058 0.000 1.013 376 E CA -0.811 55.625 56.400 0.060 0.000 1.093 376 E CB -0.383 29.370 29.700 0.089 0.000 1.129 376 E HN 0.257 8.616 8.360 -0.001 0.000 0.450 377 E N 0.160 120.375 120.200 0.025 0.000 2.072 377 E HA -0.369 3.987 4.350 0.010 0.000 0.218 377 E C 0.652 177.250 176.600 -0.004 0.000 1.051 377 E CA 2.547 58.954 56.400 0.012 0.000 0.880 377 E CB -0.131 29.573 29.700 0.007 0.000 0.783 377 E HN 0.258 8.555 8.360 0.017 0.072 0.473 378 Q N -5.078 114.717 119.800 -0.008 0.000 2.631 378 Q HA 0.250 4.526 4.340 -0.107 0.000 0.220 378 Q C -1.390 174.600 176.000 -0.017 0.000 0.819 378 Q CA 0.369 56.144 55.803 -0.047 0.000 0.914 378 Q CB -0.997 27.722 28.738 -0.032 0.000 1.248 378 Q HN 0.118 8.394 8.270 0.011 0.000 0.629 379 P HA 0.087 4.589 4.420 0.137 0.000 0.226 379 P C -1.125 176.289 177.300 0.189 0.000 1.783 379 P CA -0.518 62.648 63.100 0.111 0.000 0.980 379 P CB -1.704 30.035 31.700 0.064 0.000 1.967 380 Y N 1.271 121.554 120.300 -0.028 0.000 2.142 380 Y HA -0.125 4.408 4.550 -0.029 0.000 0.367 380 Y C -1.195 174.685 175.900 -0.032 0.000 1.278 380 Y CA -2.055 56.022 58.100 -0.038 0.000 1.724 380 Y CB -0.053 38.365 38.460 -0.070 0.000 1.476 380 Y HN -0.204 8.195 8.280 0.338 0.083 0.685 381 L N -0.161 120.872 121.223 -0.316 0.000 2.375 381 L HA 0.121 4.324 4.340 -0.229 0.000 0.271 381 L C -0.801 175.625 176.870 -0.740 0.000 1.107 381 L CA 0.021 54.629 54.840 -0.387 0.000 0.806 381 L CB 0.421 42.348 42.059 -0.220 0.000 1.146 381 L HN 0.065 8.153 8.230 -0.237 0.000 0.447 382 E N 0.554 120.504 120.200 -0.417 0.000 2.317 382 E HA 0.246 4.357 4.350 -0.397 0.000 0.270 382 E C -1.744 174.762 176.600 -0.158 0.000 0.899 382 E CA -0.683 55.523 56.400 -0.324 0.000 0.814 382 E CB 1.027 30.601 29.700 -0.211 0.000 1.296 382 E HN 0.108 8.315 8.360 -0.255 0.000 0.404 383 M N 1.454 120.976 119.600 -0.130 0.000 2.716 383 M HA 0.273 4.712 4.480 -0.069 0.000 0.278 383 M C -2.026 174.229 176.300 -0.075 0.000 1.281 383 M CA -1.433 53.817 55.300 -0.084 0.000 0.814 383 M CB 4.019 36.574 32.600 -0.075 0.000 1.719 383 M HN -0.078 8.126 8.290 -0.144 0.000 0.457 384 D N -0.971 119.391 120.400 -0.063 0.000 2.523 384 D HA 0.262 4.987 4.640 -0.092 -0.141 0.236 384 D C -0.873 175.390 176.300 -0.061 0.000 1.094 384 D CA -1.096 52.861 54.000 -0.071 0.000 0.942 384 D CB 1.621 42.384 40.800 -0.061 0.000 1.447 384 D HN -0.179 8.158 8.370 -0.054 0.000 0.479 385 L N -5.386 115.795 121.223 -0.070 0.000 2.333 385 L HA 0.475 4.792 4.340 -0.038 0.000 0.263 385 L C -1.397 175.447 176.870 -0.042 0.000 1.014 385 L CA -1.282 53.529 54.840 -0.050 0.000 0.820 385 L CB 2.596 44.629 42.059 -0.044 0.000 1.352 385 L HN -0.358 7.816 8.230 -0.094 0.000 0.421 386 S N 2.893 118.578 115.700 -0.025 0.000 2.429 386 S HA 0.029 4.489 4.470 -0.016 0.000 0.292 386 S C -0.207 174.388 174.600 -0.008 0.000 1.183 386 S CA 1.020 59.212 58.200 -0.015 0.000 1.088 386 S CB -0.894 62.301 63.200 -0.009 0.000 1.018 386 S HN 0.167 8.464 8.310 -0.022 0.000 0.511 387 S N 5.480 121.177 115.700 -0.005 0.000 3.663 387 S HA -0.197 4.283 4.470 0.016 0.000 0.779 387 S C -2.681 171.930 174.600 0.019 0.000 1.254 387 S CA -0.381 57.826 58.200 0.012 0.000 1.164 387 S CB -0.953 62.259 63.200 0.020 0.000 0.532 387 S HN 0.123 8.426 8.310 -0.013 0.000 0.505 388 P HA 0.099 4.580 4.420 0.102 0.000 0.274 388 P C -1.599 175.765 177.300 0.106 0.000 1.256 388 P CA 0.130 63.303 63.100 0.121 0.000 0.795 388 P CB 0.498 32.318 31.700 0.200 0.000 1.038 389 Q N -0.298 119.591 119.800 0.149 0.000 2.414 389 Q HA 0.223 4.614 4.340 0.085 0.000 0.256 389 Q C -1.728 174.348 176.000 0.126 0.000 0.974 389 Q CA 0.028 55.899 55.803 0.114 0.000 0.723 389 Q CB 1.337 30.129 28.738 0.091 0.000 1.281 389 Q HN 0.252 8.665 8.270 0.238 0.000 0.470 390 T N 4.237 118.850 114.554 0.098 0.000 3.109 390 T HA 0.263 4.679 4.350 0.111 0.000 0.311 390 T C -0.769 173.984 174.700 0.088 0.000 1.011 390 T CA -0.076 62.081 62.100 0.094 0.000 1.026 390 T CB 0.401 69.308 68.868 0.063 0.000 1.047 390 T HN 0.002 8.292 8.240 0.083 0.000 0.448 391 R N 8.439 129.012 120.500 0.122 0.000 2.600 391 R HA 0.194 4.571 4.340 0.062 0.000 0.392 391 R C -0.858 175.531 176.300 0.148 0.000 1.032 391 R CA -0.515 55.645 56.100 0.101 0.000 1.139 391 R CB 0.568 30.905 30.300 0.062 0.000 1.400 391 R HN 0.231 8.599 8.270 0.164 0.000 0.566 392 Y N 2.427 122.761 120.300 0.056 0.000 2.636 392 Y HA -0.006 4.604 4.550 0.100 0.000 0.341 392 Y C -0.956 174.920 175.900 -0.040 0.000 1.169 392 Y CA 0.457 58.563 58.100 0.011 0.000 1.498 392 Y CB -0.952 37.450 38.460 -0.096 0.000 1.362 392 Y HN -0.746 7.670 8.280 0.227 0.000 0.494 393 I N 6.822 127.323 120.570 -0.114 0.000 2.649 393 I HA 0.389 4.527 4.170 -0.053 0.000 0.275 393 I C -1.534 174.500 176.117 -0.138 0.000 1.180 393 I CA -2.105 59.143 61.300 -0.087 0.000 1.049 393 I CB 1.766 39.745 38.000 -0.034 0.000 1.234 393 I HN -0.469 7.659 8.210 -0.136 0.000 0.506 394 P HA 0.067 4.403 4.420 -0.139 0.000 0.233 394 P C -1.012 176.243 177.300 -0.076 0.000 1.167 394 P CA 0.486 63.487 63.100 -0.165 0.000 0.770 394 P CB 0.465 32.018 31.700 -0.245 0.000 0.837 395 D N -5.570 114.798 120.400 -0.054 0.000 2.931 395 D HA -0.349 4.274 4.640 -0.029 0.000 0.228 395 D C -0.906 175.404 176.300 0.018 0.000 1.180 395 D CA 0.966 54.951 54.000 -0.026 0.000 0.784 395 D CB -1.313 39.465 40.800 -0.036 0.000 1.093 395 D HN 0.169 8.436 8.370 -0.067 0.063 0.421 396 E N -0.647 119.587 120.200 0.057 0.000 2.081 396 E HA -0.152 4.284 4.350 0.144 0.000 0.270 396 E C -0.803 175.960 176.600 0.271 0.000 1.180 396 E CA -0.245 56.262 56.400 0.178 0.000 0.926 396 E CB -0.802 29.014 29.700 0.193 0.000 1.035 396 E HN -0.153 8.144 8.360 0.013 0.071 0.418 397 A N 4.790 127.696 122.820 0.143 0.000 2.409 397 A HA -0.203 4.358 4.320 0.075 -0.196 0.246 397 A C 0.279 177.839 177.584 -0.040 0.000 1.099 397 A CA 0.409 52.485 52.037 0.066 0.000 0.789 397 A CB 0.592 19.595 19.000 0.005 0.000 1.053 397 A HN -0.275 7.933 8.150 0.096 0.000 0.503 398 D N -5.656 114.662 120.400 -0.137 0.000 3.041 398 D HA -0.303 4.218 4.640 -0.199 0.000 0.220 398 D C -1.752 174.175 176.300 -0.621 0.000 1.157 398 D CA 1.969 55.752 54.000 -0.361 0.000 0.876 398 D CB -1.271 39.268 40.800 -0.435 0.000 1.107 398 D HN -0.187 8.160 8.370 -0.038 0.000 0.422 399 F N -5.345 114.668 119.950 0.105 0.000 2.643 399 F HA 0.518 5.244 4.527 0.145 -0.112 0.314 399 F C -1.935 173.956 175.800 0.152 0.000 1.096 399 F CA -0.973 57.114 58.000 0.146 0.000 0.953 399 F CB 4.262 43.369 39.000 0.179 0.000 1.345 399 F HN -0.715 7.610 8.300 0.106 0.039 0.468 400 L N 0.391 121.846 121.223 0.385 0.000 2.349 400 L HA 0.702 5.175 4.340 0.222 0.000 0.278 400 L C -2.368 174.627 176.870 0.209 0.000 0.996 400 L CA -1.172 53.797 54.840 0.215 0.000 0.825 400 L CB 2.845 44.945 42.059 0.068 0.000 1.243 400 L HN 0.586 9.098 8.230 0.469 0.000 0.412 401 L N 5.887 127.202 121.223 0.154 0.000 2.365 401 L HA 0.554 5.111 4.340 0.146 -0.129 0.273 401 L C -0.514 176.361 176.870 0.008 0.000 1.000 401 L CA -1.195 53.703 54.840 0.096 0.000 0.819 401 L CB 3.660 45.761 42.059 0.071 0.000 1.284 401 L HN 0.288 8.618 8.230 0.166 0.000 0.418 402 G N 4.631 113.429 108.800 -0.004 0.000 3.707 402 G HA2 0.231 4.150 3.960 -0.068 0.000 0.286 402 G HA3 0.231 4.275 3.960 0.141 0.000 0.286 402 G C -0.790 174.018 174.900 -0.153 0.000 1.112 402 G CA -0.542 44.548 45.100 -0.018 0.000 0.861 402 G HN 0.359 8.671 8.290 0.038 0.000 0.534 403 M N 0.359 119.826 119.600 -0.222 0.000 2.250 403 M HA -0.095 4.235 4.480 -0.249 0.000 0.325 403 M C -0.724 175.344 176.300 -0.387 0.000 1.084 403 M CA -0.299 54.836 55.300 -0.274 0.000 1.161 403 M CB -0.040 32.421 32.600 -0.233 0.000 1.481 403 M HN -0.351 7.760 8.290 -0.177 0.073 0.449 416 A N 1.278 124.124 122.820 0.044 0.000 2.296 416 A HA 0.318 4.659 4.320 0.034 0.000 0.264 416 A C 0.688 178.301 177.584 0.049 0.000 1.097 416 A CA -0.038 52.023 52.037 0.040 0.000 0.811 416 A CB 0.514 19.534 19.000 0.032 0.000 1.072 416 A HN 0.563 8.742 8.150 0.048 0.000 0.495 417 E N -0.350 119.877 120.200 0.045 0.000 2.494 417 E HA -0.093 4.297 4.350 0.066 0.000 0.193 417 E C 0.316 176.952 176.600 0.061 0.000 1.074 417 E CA -0.435 55.999 56.400 0.056 0.000 0.867 417 E CB 0.223 29.953 29.700 0.051 0.000 0.924 417 E HN 0.273 8.655 8.360 0.036 0.000 0.502 418 G N 1.017 109.838 108.800 0.036 0.000 2.404 418 G HA2 -0.049 3.893 3.960 -0.030 0.000 0.289 418 G HA3 -0.049 3.884 3.960 -0.046 0.000 0.289 418 G C -1.024 173.868 174.900 -0.013 0.000 1.074 418 G CA 0.284 45.373 45.100 -0.019 0.000 1.210 418 G HN -0.074 8.126 8.290 0.037 0.113 0.434 419 T N 4.402 118.931 114.554 -0.042 0.000 2.916 419 T HA 0.129 4.615 4.350 0.227 0.000 0.292 419 T C -0.882 173.631 174.700 -0.312 0.000 1.064 419 T CA -1.408 60.714 62.100 0.037 0.000 1.011 419 T CB 2.683 71.639 68.868 0.146 0.000 1.152 419 T HN -0.449 7.780 8.240 -0.019 0.000 0.510 420 W N 1.206 122.331 121.300 -0.292 0.000 2.161 420 W HA -0.066 4.182 4.660 -0.686 0.000 0.344 420 W C -0.937 175.378 176.519 -0.340 0.000 1.262 420 W CA 0.361 57.447 57.345 -0.432 0.000 1.270 420 W CB 0.764 30.102 29.460 -0.205 0.000 1.126 420 W HN 0.065 8.564 8.180 0.532 0.000 0.598 421 Y N -4.622 115.737 120.300 0.098 0.000 2.852 421 Y HA 0.126 4.811 4.550 0.051 -0.105 0.350 421 Y C -2.155 173.748 175.900 0.005 0.000 1.272 421 Y CA -2.141 55.979 58.100 0.034 0.000 1.086 421 Y CB 0.319 38.772 38.460 -0.011 0.000 1.408 421 Y HN -0.170 7.884 8.280 -0.377 0.000 0.447 422 I N -0.879 119.848 120.570 0.262 0.000 3.419 422 I HA -0.031 4.196 4.170 0.094 0.000 0.286 422 I C -0.299 175.888 176.117 0.116 0.000 1.268 422 I CA 0.218 61.594 61.300 0.128 0.000 1.414 422 I CB 1.064 39.087 38.000 0.038 0.000 1.074 422 I HN -0.023 8.324 8.210 0.229 0.000 0.457 423 Q N 1.426 121.288 119.800 0.103 0.000 2.317 423 Q HA -0.229 4.043 4.340 -0.113 0.000 0.286 423 Q C -0.398 175.600 176.000 -0.002 0.000 1.198 423 Q CA 1.396 57.124 55.803 -0.125 0.000 0.973 423 Q CB -1.445 26.933 28.738 -0.600 0.000 1.207 423 Q HN -0.015 8.305 8.270 0.161 0.047 0.416 424 S N -0.151 115.536 115.700 -0.021 0.000 3.143 424 S HA -0.407 4.043 4.470 -0.033 0.000 0.291 424 S C 0.129 174.731 174.600 0.003 0.000 1.294 424 S CA 1.794 59.986 58.200 -0.013 0.000 1.115 424 S CB -0.224 62.963 63.200 -0.022 0.000 1.318 424 S HN 0.514 8.799 8.310 -0.042 0.000 0.685 425 L N 0.677 121.920 121.223 0.034 0.000 2.068 425 L HA -0.084 4.244 4.340 -0.020 0.000 0.204 425 L C 0.522 177.347 176.870 -0.075 0.000 1.076 425 L CA 3.220 58.057 54.840 -0.005 0.000 0.753 425 L CB -0.438 41.641 42.059 0.034 0.000 0.910 425 L HN -0.048 8.015 8.230 0.070 0.210 0.439 426 C N -3.027 116.217 119.300 -0.094 0.000 2.425 426 C HA -0.463 3.859 4.460 -0.231 0.000 0.277 426 C C 1.577 176.480 174.990 -0.145 0.000 1.280 426 C CA 3.330 62.253 59.018 -0.158 0.000 1.744 426 C CB 0.014 27.669 27.740 -0.142 0.000 1.989 426 C HN -0.705 7.491 8.230 -0.057 0.000 0.491 427 Q N -1.299 118.440 119.800 -0.102 0.000 2.311 427 Q HA -0.161 4.112 4.340 -0.112 0.000 0.203 427 Q C 1.814 177.759 176.000 -0.091 0.000 0.954 427 Q CA 2.118 57.864 55.803 -0.095 0.000 0.885 427 Q CB -0.740 27.955 28.738 -0.071 0.000 0.963 427 Q HN 0.303 8.525 8.270 -0.080 0.000 0.471 428 S N 1.337 116.988 115.700 -0.082 0.000 2.388 428 S HA -0.065 4.365 4.470 -0.067 0.000 0.223 428 S C 1.733 176.280 174.600 -0.088 0.000 1.034 428 S CA 3.167 61.323 58.200 -0.073 0.000 0.963 428 S CB 0.700 63.867 63.200 -0.056 0.000 0.827 428 S HN -0.520 7.647 8.310 -0.076 0.098 0.481 429 L N -0.274 120.884 121.223 -0.108 0.000 2.042 429 L HA -0.223 4.068 4.340 -0.083 0.000 0.210 429 L C 1.159 177.934 176.870 -0.158 0.000 1.076 429 L CA 3.326 58.094 54.840 -0.119 0.000 0.749 429 L CB -0.925 41.054 42.059 -0.134 0.000 0.893 429 L HN 0.106 8.270 8.230 -0.110 0.000 0.432 430 R N -3.725 116.656 120.500 -0.198 0.000 2.120 430 R HA -0.292 3.872 4.340 -0.294 0.000 0.234 430 R C 1.101 177.305 176.300 -0.160 0.000 1.123 430 R CA 2.617 58.580 56.100 -0.229 0.000 0.975 430 R CB -0.727 29.427 30.300 -0.243 0.000 0.866 430 R HN -0.746 7.407 8.270 -0.195 0.000 0.446 431 E N -1.468 118.662 120.200 -0.117 0.000 2.152 431 E HA -0.189 4.111 4.350 -0.084 0.000 0.192 431 E C 1.216 177.776 176.600 -0.067 0.000 0.983 431 E CA 2.368 58.718 56.400 -0.084 0.000 0.818 431 E CB 0.006 29.666 29.700 -0.067 0.000 0.758 431 E HN -0.731 7.438 8.360 -0.115 0.122 0.467 432 R N -2.270 118.190 120.500 -0.066 0.000 2.236 432 R HA -0.113 4.210 4.340 -0.029 0.000 0.208 432 R C 1.685 177.966 176.300 -0.032 0.000 1.036 432 R CA 1.403 57.479 56.100 -0.041 0.000 1.001 432 R CB -0.375 29.905 30.300 -0.034 0.000 0.896 432 R HN -0.306 7.835 8.270 -0.079 0.081 0.464 433 C N 0.492 119.751 119.300 -0.067 0.000 2.386 433 C HA -0.148 4.298 4.460 -0.024 0.000 0.279 433 C C -0.023 174.955 174.990 -0.021 0.000 1.208 433 C CA 5.665 64.644 59.018 -0.065 0.000 1.747 433 C CB -2.494 25.142 27.740 -0.175 0.000 2.046 433 C HN -0.154 8.015 8.230 -0.102 0.000 0.453 434 P HA 0.023 4.453 4.420 0.017 0.000 0.234 434 P C -0.003 177.301 177.300 0.007 0.000 1.167 434 P CA 1.674 64.771 63.100 -0.005 0.000 0.763 434 P CB -0.592 31.096 31.700 -0.019 0.000 0.835 435 R N -3.103 117.400 120.500 0.005 0.000 2.276 435 R HA -0.041 4.302 4.340 0.005 0.000 0.203 435 R C 1.223 177.545 176.300 0.036 0.000 1.017 435 R CA -0.220 55.887 56.100 0.012 0.000 1.010 435 R CB -0.438 29.865 30.300 0.004 0.000 0.900 435 R HN -0.659 7.426 8.270 -0.005 0.182 0.469 436 G N -0.105 108.736 108.800 0.067 0.000 2.136 436 G HA2 -0.446 3.622 3.960 0.181 0.000 0.242 436 G HA3 -0.446 3.575 3.960 0.102 0.000 0.242 436 G C -1.127 173.882 174.900 0.182 0.000 0.989 436 G CA 0.095 45.277 45.100 0.137 0.000 0.682 436 G HN -0.186 8.088 8.290 0.058 0.051 0.522 437 D N 0.652 121.116 120.400 0.107 0.000 2.345 437 D HA 0.054 4.748 4.640 0.091 0.000 0.247 437 D C -0.360 175.989 176.300 0.082 0.000 1.108 437 D CA 1.598 55.647 54.000 0.082 0.000 0.894 437 D CB 1.019 41.842 40.800 0.037 0.000 1.203 437 D HN -0.888 7.494 8.370 0.074 0.033 0.430 438 D N 1.146 121.576 120.400 0.050 0.000 2.354 438 D HA -0.140 4.533 4.640 0.055 0.000 0.238 438 D C -0.358 175.971 176.300 0.049 0.000 1.250 438 D CA 0.413 54.434 54.000 0.035 0.000 0.911 438 D CB 0.574 41.363 40.800 -0.019 0.000 1.163 438 D HN 0.102 8.495 8.370 0.038 0.000 0.456 439 I N -2.297 118.320 120.570 0.079 0.000 3.684 439 I HA -0.065 4.115 4.170 0.018 0.000 0.304 439 I C -0.137 175.962 176.117 -0.030 0.000 1.278 439 I CA -0.699 60.618 61.300 0.028 0.000 1.272 439 I CB 0.388 38.378 38.000 -0.016 0.000 1.029 439 I HN -0.176 8.107 8.210 0.122 0.000 0.458 440 L N 0.265 121.455 121.223 -0.055 0.000 2.249 440 L HA -0.059 4.154 4.340 -0.212 0.000 0.207 440 L C 0.677 177.424 176.870 -0.206 0.000 1.090 440 L CA 2.028 56.770 54.840 -0.163 0.000 0.802 440 L CB 0.331 42.313 42.059 -0.129 0.000 0.947 440 L HN -0.424 7.933 8.230 -0.027 -0.143 0.453 441 T N -4.154 110.334 114.554 -0.109 0.000 3.145 441 T HA 0.040 4.318 4.350 -0.120 0.000 0.255 441 T C -0.178 174.487 174.700 -0.058 0.000 1.039 441 T CA 0.433 62.480 62.100 -0.088 0.000 0.928 441 T CB 0.370 69.205 68.868 -0.054 0.000 1.029 441 T HN -0.081 8.463 8.240 -0.069 -0.345 0.554 442 I N -1.118 119.428 120.570 -0.041 0.000 2.512 442 I HA -0.018 4.280 4.170 -0.034 -0.149 0.247 442 I C 1.531 177.642 176.117 -0.010 0.000 1.094 442 I CA 0.379 61.667 61.300 -0.021 0.000 1.427 442 I CB -0.596 37.405 38.000 0.001 0.000 1.149 442 I HN -0.538 7.568 8.210 -0.048 0.075 0.438 443 L N -2.905 118.352 121.223 0.056 0.000 2.261 443 L HA -0.318 4.100 4.340 0.130 0.000 0.216 443 L C 0.300 177.174 176.870 0.008 0.000 1.114 443 L CA 2.696 57.632 54.840 0.160 0.000 0.777 443 L CB -0.486 41.802 42.059 0.380 0.000 0.910 443 L HN -0.045 8.215 8.230 0.051 0.000 0.440 444 T N -5.667 108.861 114.554 -0.043 0.000 3.132 444 T HA 0.032 4.134 4.350 -0.413 0.000 0.274 444 T C -0.006 174.599 174.700 -0.158 0.000 1.011 444 T CA -0.255 61.748 62.100 -0.161 0.000 0.899 444 T CB -0.490 68.389 68.868 0.019 0.000 1.089 444 T HN -0.643 7.529 8.240 -0.013 0.060 0.543 445 E N 1.858 121.981 120.200 -0.128 0.000 2.158 445 E HA -0.101 4.202 4.350 -0.078 0.000 0.191 445 E C 0.673 177.209 176.600 -0.106 0.000 0.982 445 E CA 1.950 58.293 56.400 -0.095 0.000 0.823 445 E CB 0.146 29.806 29.700 -0.066 0.000 0.766 445 E HN -0.083 8.028 8.360 -0.116 0.180 0.468 465 Q N -0.530 119.471 119.800 0.335 0.000 2.824 465 Q HA 0.367 4.796 4.340 0.147 0.000 0.371 465 Q C -1.717 174.339 176.000 0.092 0.000 1.071 465 Q CA -1.701 54.219 55.803 0.195 0.000 1.064 465 Q CB -0.667 28.139 28.738 0.113 0.000 1.332 465 Q HN 0.317 8.872 8.270 0.474 0.000 0.445 466 P HA 0.077 4.230 4.420 -0.445 0.000 0.276 466 P C -0.749 176.616 177.300 0.109 0.000 1.264 466 P CA -0.368 62.826 63.100 0.158 0.000 0.769 466 P CB 0.801 32.851 31.700 0.583 0.000 0.840 467 T N 7.714 122.179 114.554 -0.149 0.000 3.176 467 T HA 0.163 4.457 4.350 -0.093 0.000 0.301 467 T C -1.483 173.278 174.700 0.102 0.000 1.115 467 T CA 0.305 62.354 62.100 -0.085 0.000 1.027 467 T CB -0.492 68.267 68.868 -0.182 0.000 1.063 467 T HN 0.266 8.197 8.240 -0.515 0.000 0.669 468 F N 2.777 122.696 119.950 -0.051 0.000 2.668 468 F HA 0.411 4.945 4.527 0.012 0.000 0.309 468 F C -2.209 173.602 175.800 0.018 0.000 1.117 468 F CA -1.931 56.069 58.000 -0.000 0.000 0.951 468 F CB 2.123 41.133 39.000 0.017 0.000 1.323 468 F HN -0.558 7.619 8.300 -0.206 0.000 0.451 469 T N -0.790 113.784 114.554 0.034 0.000 3.355 469 T HA 0.173 4.385 4.350 -0.230 0.000 0.324 469 T C -2.443 172.306 174.700 0.082 0.000 0.932 469 T CA -0.231 61.835 62.100 -0.056 0.000 1.032 469 T CB 0.677 69.511 68.868 -0.056 0.000 1.027 469 T HN 0.485 8.860 8.240 0.225 0.000 0.456 470 L N 2.382 123.671 121.223 0.109 0.000 2.359 470 L HA 0.445 4.879 4.340 0.029 -0.077 0.256 470 L C -0.108 176.792 176.870 0.049 0.000 1.026 470 L CA -0.268 54.622 54.840 0.084 0.000 0.828 470 L CB 3.565 45.701 42.059 0.129 0.000 1.406 470 L HN 0.087 8.375 8.230 0.096 0.000 0.413 471 R N -0.300 120.208 120.500 0.013 0.000 2.394 471 R HA 0.080 4.429 4.340 0.014 0.000 0.220 471 R C -0.502 175.799 176.300 0.002 0.000 0.887 471 R CA -0.397 55.705 56.100 0.004 0.000 1.034 471 R CB 0.816 31.106 30.300 -0.017 0.000 1.179 471 R HN 0.806 9.070 8.270 -0.010 0.000 0.561 472 K N -0.334 120.064 120.400 -0.003 0.000 2.400 472 K HA 0.326 4.639 4.320 -0.013 0.000 0.246 472 K C -1.531 175.062 176.600 -0.011 0.000 0.995 472 K CA -1.607 54.671 56.287 -0.015 0.000 0.840 472 K CB 1.768 34.246 32.500 -0.036 0.000 1.293 472 K HN -0.652 7.598 8.250 -0.000 0.000 0.445 473 K N 2.006 122.385 120.400 -0.035 0.000 2.294 473 K HA -0.123 4.181 4.320 -0.027 0.000 0.288 473 K C -0.758 175.795 176.600 -0.077 0.000 1.072 473 K CA -0.012 56.242 56.287 -0.056 0.000 0.960 473 K CB -0.170 32.277 32.500 -0.089 0.000 1.043 473 K HN 0.242 8.466 8.250 -0.043 0.000 0.455 474 L N 8.985 130.193 121.223 -0.024 0.000 2.385 474 L HA 0.102 4.429 4.340 -0.021 0.000 0.285 474 L C -1.852 175.049 176.870 0.052 0.000 1.125 474 L CA -0.115 54.737 54.840 0.021 0.000 0.890 474 L CB 0.641 42.757 42.059 0.096 0.000 1.251 474 L HN 0.175 8.405 8.230 0.001 0.000 0.445 475 V N 6.732 126.623 119.914 -0.037 0.000 2.547 475 V HA 0.129 4.306 4.120 0.095 0.000 0.299 475 V C -1.269 174.866 176.094 0.068 0.000 1.040 475 V CA -1.187 61.111 62.300 -0.002 0.000 0.913 475 V CB 1.869 33.538 31.823 -0.257 0.000 0.992 475 V HN -0.253 7.862 8.190 -0.126 0.000 0.449 476 F N 4.405 124.375 119.950 0.034 0.000 2.334 476 F HA 0.450 5.059 4.527 0.137 0.000 0.343 476 F C -1.778 174.095 175.800 0.121 0.000 1.136 476 F CA -2.898 55.156 58.000 0.091 0.000 1.237 476 F CB 0.554 39.588 39.000 0.056 0.000 1.525 476 F HN 0.418 8.923 8.300 0.341 0.000 0.528 477 P HA 0.237 4.797 4.420 0.233 0.000 0.274 477 P C -0.101 177.382 177.300 0.305 0.000 1.237 477 P CA -0.793 62.461 63.100 0.256 0.000 0.793 477 P CB 0.981 32.851 31.700 0.283 0.000 0.977 478 S N -0.630 115.223 115.700 0.254 0.000 2.489 478 S HA -0.237 4.557 4.470 0.540 0.000 0.228 478 S C -0.502 174.304 174.600 0.343 0.000 0.995 478 S CA 1.305 59.718 58.200 0.354 0.000 0.934 478 S CB 0.697 64.026 63.200 0.215 0.000 0.771 478 S HN 0.287 8.705 8.310 0.180 0.000 0.522 479 D N 0.000 120.524 120.400 0.206 0.000 6.856 479 D HA 0.000 4.700 4.640 0.100 0.000 0.175 479 D CA 0.000 54.068 54.000 0.114 0.000 0.868 479 D CB 0.000 40.840 40.800 0.067 0.000 0.688 479 D HN 0.000 8.441 8.370 0.187 0.041 0.683