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 2zs6_1_B DATA FIRST_RESID 204 DATA SEQUENCE QTILPYPNGL YVINKGDGYM RTNDKDLIGT LLIESSTSGS IIQPRLRNTT DATA SEQUENCE RPLFNTSNPT IFSQEYTEAR LNDAFNIQLF NTSTTLFKFV EEAPTNKNIS DATA SEQUENCE MKVYNTYEKY ELINYQNGNI DDKAEYYLPS LGKCEVSDAP SPQAPVVETP DATA SEQUENCE VDQDGFIQTG PNENIIVGVI NPSENIEEIS TPIPDDYTYN IPTSIQNNAC DATA SEQUENCE YVLFKVNTTG VYKITTKNNL PPLIIYEAIG SSNRNMNSNN LSNDNIKAIK DATA SEQUENCE YITGLNRSDA KSYLIVSLFK DKNYYIRIPQ ISSSTTSQLI FKRELGNISD DATA SEQUENCE LADSTVNILD NLNTSGTHYY TRQSPDVGNY ISYQLTIPGD FNNIASSIFS DATA SEQUENCE FRTRNNQGIG TLYRLTESIN GYNLITINNY SDLLNNVEPI SLLNGATYIF DATA SEQUENCE RVKVTELNNY NIIFDAYRNS 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 204 Q HA 0.000 nan 4.340 nan 0.000 0.214 204 Q C 0.000 176.025 176.000 0.042 0.000 1.003 204 Q CA 0.000 55.825 55.803 0.037 0.000 1.022 204 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 205 T N 0.441 115.019 114.554 0.040 0.000 2.882 205 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 205 T C 0.903 175.642 174.700 0.065 0.000 1.014 205 T CA -0.192 61.936 62.100 0.046 0.000 1.049 205 T CB 1.116 70.005 68.868 0.036 0.000 1.001 205 T HN 0.173 nan 8.240 nan 0.000 0.525 206 I N 1.690 122.309 120.570 0.082 0.000 2.353 206 I HA 0.272 4.442 4.170 -0.000 0.000 0.293 206 I C -0.229 175.962 176.117 0.123 0.000 0.992 206 I CA -0.424 60.954 61.300 0.131 0.000 1.268 206 I CB 0.804 38.889 38.000 0.142 0.000 1.387 206 I HN 0.302 nan 8.210 nan 0.000 0.478 207 L N 8.857 130.180 121.223 0.167 0.000 2.272 207 L HA 0.347 4.687 4.340 -0.000 0.000 0.284 207 L C -2.014 175.008 176.870 0.253 0.000 1.045 207 L CA -1.558 53.356 54.840 0.123 0.000 0.842 207 L CB 0.728 42.625 42.059 -0.270 0.000 1.224 207 L HN 0.370 nan 8.230 nan 0.000 0.430 208 P HA 0.150 nan 4.420 nan 0.000 0.225 208 P C -1.301 175.661 177.300 -0.563 0.000 1.813 208 P CA 0.136 63.104 63.100 -0.220 0.000 1.013 208 P CB -0.317 31.214 31.700 -0.282 0.000 1.961 209 Y N 1.553 121.916 120.300 0.105 0.000 2.562 209 Y HA 0.446 4.996 4.550 -0.000 0.000 0.345 209 Y C -2.057 173.901 175.900 0.096 0.000 1.045 209 Y CA -2.618 55.417 58.100 -0.108 0.000 1.028 209 Y CB 1.977 40.274 38.460 -0.273 0.000 1.297 209 Y HN 0.045 nan 8.280 nan 0.000 0.463 210 P HA 0.057 nan 4.420 nan 0.000 0.277 210 P C -0.860 176.682 177.300 0.404 0.000 1.276 210 P CA -0.364 62.847 63.100 0.185 0.000 0.788 210 P CB 0.705 32.449 31.700 0.073 0.000 1.114 211 N N -0.807 118.052 118.700 0.266 0.000 2.395 211 N HA 0.387 5.127 4.740 -0.000 0.000 0.246 211 N C 0.915 176.623 175.510 0.331 0.000 1.246 211 N CA 1.003 54.200 53.050 0.244 0.000 0.879 211 N CB -0.199 38.359 38.487 0.118 0.000 1.098 211 N HN 0.795 nan 8.380 nan 0.000 0.444 212 G N -0.490 108.507 108.800 0.327 0.000 2.350 212 G HA2 0.118 4.078 3.960 -0.000 0.000 0.282 212 G HA3 0.118 4.078 3.960 -0.000 0.000 0.282 212 G C -1.639 173.305 174.900 0.074 0.000 1.314 212 G CA -0.930 44.251 45.100 0.135 0.000 0.915 212 G HN 0.386 nan 8.290 nan 0.000 0.499 213 L N 0.168 121.294 121.223 -0.163 0.000 2.307 213 L HA 0.707 5.047 4.340 -0.000 0.000 0.282 213 L C -0.848 175.737 176.870 -0.474 0.000 1.051 213 L CA -0.711 54.070 54.840 -0.099 0.000 0.804 213 L CB 1.236 43.284 42.059 -0.019 0.000 1.197 213 L HN 0.551 nan 8.230 nan 0.000 0.431 214 Y N 1.370 121.685 120.300 0.025 0.000 2.492 214 Y HA 0.516 5.066 4.550 -0.000 0.000 0.346 214 Y C -0.383 175.494 175.900 -0.039 0.000 0.997 214 Y CA -0.924 57.142 58.100 -0.056 0.000 1.025 214 Y CB 2.220 40.605 38.460 -0.125 0.000 1.263 214 Y HN 0.097 nan 8.280 nan 0.000 0.454 215 V N 5.074 125.047 119.914 0.097 0.000 2.384 215 V HA 0.454 4.574 4.120 -0.000 0.000 0.287 215 V C -0.382 175.849 176.094 0.229 0.000 1.020 215 V CA -0.701 61.686 62.300 0.145 0.000 0.850 215 V CB 1.282 33.193 31.823 0.147 0.000 0.987 215 V HN 0.570 nan 8.190 nan 0.000 0.436 216 I N 4.574 125.260 120.570 0.193 0.000 2.382 216 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 216 I C 0.063 176.223 176.117 0.071 0.000 1.002 216 I CA -0.472 60.908 61.300 0.132 0.000 1.135 216 I CB 1.529 39.541 38.000 0.021 0.000 1.288 216 I HN 0.493 nan 8.210 nan 0.000 0.448 217 N N 6.842 125.568 118.700 0.044 0.000 2.405 217 N HA 0.097 4.837 4.740 -0.000 0.000 0.260 217 N C 0.188 175.564 175.510 -0.222 0.000 1.152 217 N CA 0.249 53.095 53.050 -0.341 0.000 0.948 217 N CB 0.808 39.029 38.487 -0.443 0.000 1.111 217 N HN 0.536 nan 8.380 nan 0.000 0.485 218 K N 2.184 122.425 120.400 -0.266 0.000 2.397 218 K HA 0.248 4.568 4.320 -0.000 0.000 0.202 218 K C 0.448 177.087 176.600 0.065 0.000 1.022 218 K CA -0.145 56.086 56.287 -0.093 0.000 1.141 218 K CB 0.190 32.625 32.500 -0.108 0.000 0.857 218 K HN 0.790 nan 8.250 nan 0.000 0.514 219 G N 1.203 109.982 108.800 -0.034 0.000 2.479 219 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 219 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 219 G C -1.666 173.312 174.900 0.129 0.000 1.295 219 G CA -0.898 44.231 45.100 0.048 0.000 0.922 219 G HN 0.092 nan 8.290 nan 0.000 0.582 220 D N -0.709 119.723 120.400 0.053 0.000 2.440 220 D HA 0.629 5.269 4.640 -0.000 0.000 0.258 220 D C 1.390 177.711 176.300 0.034 0.000 1.092 220 D CA 1.134 55.179 54.000 0.074 0.000 1.016 220 D CB 1.183 41.984 40.800 0.003 0.000 1.141 220 D HN 2.008 nan 8.370 nan 0.000 0.552 221 G N 0.229 109.061 108.800 0.053 0.000 2.136 221 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 221 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 221 G C -0.106 174.784 174.900 -0.018 0.000 0.989 221 G CA 0.195 45.280 45.100 -0.024 0.000 0.682 221 G HN 0.387 nan 8.290 nan 0.000 0.522 222 Y N 0.417 120.793 120.300 0.126 0.000 2.411 222 Y HA 0.581 5.131 4.550 -0.000 0.000 0.333 222 Y C 1.111 177.228 175.900 0.361 0.000 1.186 222 Y CA 0.711 58.950 58.100 0.231 0.000 1.381 222 Y CB 0.731 39.352 38.460 0.267 0.000 1.273 222 Y HN 0.509 nan 8.280 nan 0.000 0.546 223 M N 1.455 121.348 119.600 0.488 0.000 2.578 223 M HA 0.622 5.102 4.480 -0.000 0.000 0.276 223 M C -1.566 174.879 176.300 0.242 0.000 1.245 223 M CA -1.087 54.467 55.300 0.423 0.000 0.871 223 M CB 2.256 34.948 32.600 0.154 0.000 1.722 223 M HN 0.412 nan 8.290 nan 0.000 0.473 224 R N 0.790 121.299 120.500 0.014 0.000 2.577 224 R HA 0.537 4.877 4.340 -0.000 0.000 0.269 224 R C 0.164 176.383 176.300 -0.136 0.000 1.084 224 R CA -0.117 55.791 56.100 -0.320 0.000 1.163 224 R CB 1.042 31.081 30.300 -0.437 0.000 1.100 224 R HN 0.853 nan 8.270 nan 0.000 0.547 225 T N -1.327 113.127 114.554 -0.166 0.000 2.754 225 T HA 0.107 4.457 4.350 -0.000 0.000 0.286 225 T C 0.254 174.927 174.700 -0.045 0.000 0.997 225 T CA -0.658 61.393 62.100 -0.081 0.000 0.982 225 T CB 0.223 69.043 68.868 -0.079 0.000 1.027 225 T HN 0.791 nan 8.240 nan 0.000 0.529 226 N N 0.602 119.294 118.700 -0.012 0.000 2.740 226 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 226 N C -0.787 174.745 175.510 0.038 0.000 1.062 226 N CA 0.457 53.511 53.050 0.007 0.000 0.704 226 N CB -1.457 37.022 38.487 -0.014 0.000 0.968 226 N HN 0.784 nan 8.380 nan 0.000 0.547 227 D N -1.587 118.870 120.400 0.095 0.000 2.811 227 D HA -0.205 4.435 4.640 -0.000 0.000 0.231 227 D C 0.982 177.349 176.300 0.111 0.000 1.157 227 D CA 1.379 55.478 54.000 0.166 0.000 0.716 227 D CB -0.630 40.235 40.800 0.108 0.000 1.077 227 D HN 0.649 nan 8.370 nan 0.000 0.428 228 K N -0.017 120.430 120.400 0.079 0.000 2.365 228 K HA -0.063 4.257 4.320 -0.000 0.000 0.199 228 K C 0.732 177.392 176.600 0.100 0.000 1.045 228 K CA 0.928 57.245 56.287 0.050 0.000 0.962 228 K CB 0.373 32.864 32.500 -0.015 0.000 0.759 228 K HN 0.084 nan 8.250 nan 0.000 0.469 229 D N 0.512 121.018 120.400 0.177 0.000 2.462 229 D HA 0.001 4.641 4.640 -0.000 0.000 0.221 229 D C -0.625 175.813 176.300 0.229 0.000 1.173 229 D CA -0.197 53.937 54.000 0.223 0.000 0.831 229 D CB 0.434 41.402 40.800 0.280 0.000 1.001 229 D HN 0.082 nan 8.370 nan 0.000 0.499 230 L N 1.586 122.887 121.223 0.129 0.000 2.433 230 L HA 0.156 4.496 4.340 -0.000 0.000 0.275 230 L C 1.002 177.807 176.870 -0.108 0.000 1.128 230 L CA 0.224 54.958 54.840 -0.178 0.000 0.875 230 L CB 0.324 42.237 42.059 -0.243 0.000 1.171 230 L HN -0.092 nan 8.230 nan 0.000 0.463 231 I N 3.959 124.461 120.570 -0.113 0.000 2.233 231 I HA 0.179 4.349 4.170 -0.000 0.000 0.243 231 I C 1.267 177.341 176.117 -0.072 0.000 1.093 231 I CA 1.063 62.340 61.300 -0.038 0.000 1.380 231 I CB -0.367 37.652 38.000 0.032 0.000 1.067 231 I HN 0.833 nan 8.210 nan 0.000 0.413 232 G N -0.687 108.033 108.800 -0.133 0.000 2.320 232 G HA2 0.299 4.259 3.960 -0.000 0.000 0.297 232 G HA3 0.299 4.259 3.960 -0.000 0.000 0.297 232 G C -1.265 173.559 174.900 -0.127 0.000 1.344 232 G CA -0.682 44.350 45.100 -0.112 0.000 0.851 232 G HN -0.121 nan 8.290 nan 0.000 0.567 233 T N 0.825 115.325 114.554 -0.090 0.000 2.848 233 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 233 T C -0.149 174.527 174.700 -0.040 0.000 0.995 233 T CA -0.458 61.598 62.100 -0.074 0.000 0.970 233 T CB 1.486 70.312 68.868 -0.070 0.000 0.976 233 T HN 0.497 nan 8.240 nan 0.000 0.441 234 L N 3.091 124.297 121.223 -0.028 0.000 2.295 234 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 234 L C -0.611 176.251 176.870 -0.012 0.000 1.035 234 L CA -1.182 53.650 54.840 -0.014 0.000 0.806 234 L CB 1.459 43.517 42.059 -0.001 0.000 1.214 234 L HN 0.396 nan 8.230 nan 0.000 0.426 235 L N 5.322 126.540 121.223 -0.010 0.000 2.257 235 L HA 0.458 4.798 4.340 -0.000 0.000 0.290 235 L C -0.445 176.423 176.870 -0.003 0.000 1.044 235 L CA 0.244 55.080 54.840 -0.007 0.000 0.810 235 L CB 0.636 42.691 42.059 -0.007 0.000 1.193 235 L HN 0.349 nan 8.230 nan 0.000 0.425 236 I N 5.308 125.878 120.570 -0.001 0.000 2.354 236 I HA 0.300 4.470 4.170 -0.000 0.000 0.286 236 I C 0.118 176.237 176.117 0.002 0.000 1.007 236 I CA -0.739 60.562 61.300 0.003 0.000 1.167 236 I CB 0.976 38.980 38.000 0.006 0.000 1.320 236 I HN 0.508 nan 8.210 nan 0.000 0.458 237 E N 4.093 124.294 120.200 0.002 0.000 2.404 237 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 237 E C 0.169 176.770 176.600 0.003 0.000 1.074 237 E CA -0.111 56.290 56.400 0.002 0.000 0.917 237 E CB 0.847 30.548 29.700 0.001 0.000 0.965 237 E HN 0.653 nan 8.360 nan 0.000 0.433 238 S N 0.572 116.273 115.700 0.002 0.000 2.558 238 S HA -0.002 4.468 4.470 -0.000 0.000 0.291 238 S C 0.502 175.104 174.600 0.003 0.000 1.306 238 S CA 0.078 58.280 58.200 0.003 0.000 1.056 238 S CB 0.427 63.629 63.200 0.002 0.000 0.836 238 S HN 0.518 nan 8.310 nan 0.000 0.504 239 S N 0.180 115.883 115.700 0.004 0.000 3.382 239 S HA -0.143 4.327 4.470 -0.000 0.000 0.293 239 S C 0.262 174.866 174.600 0.005 0.000 1.262 239 S CA 1.329 59.531 58.200 0.005 0.000 0.969 239 S CB -2.292 60.910 63.200 0.004 0.000 1.136 239 S HN 1.038 nan 8.310 nan 0.000 0.635 240 T N 1.532 116.090 114.554 0.006 0.000 2.924 240 T HA 0.667 5.017 4.350 -0.000 0.000 0.291 240 T C -0.122 174.584 174.700 0.010 0.000 1.045 240 T CA -0.469 61.635 62.100 0.007 0.000 1.015 240 T CB 1.983 70.854 68.868 0.006 0.000 1.103 240 T HN 0.095 nan 8.240 nan 0.000 0.496 241 S N 0.126 115.833 115.700 0.012 0.000 2.532 241 S HA 0.833 5.303 4.470 -0.000 0.000 0.301 241 S C -0.015 174.596 174.600 0.018 0.000 1.083 241 S CA -0.840 57.370 58.200 0.017 0.000 1.025 241 S CB 1.762 64.973 63.200 0.018 0.000 1.056 241 S HN 0.986 nan 8.310 nan 0.000 0.494 242 G N 0.342 109.157 108.800 0.025 0.000 2.563 242 G HA2 0.654 4.614 3.960 -0.000 0.000 0.302 242 G HA3 0.654 4.614 3.960 -0.000 0.000 0.302 242 G C -1.344 173.582 174.900 0.044 0.000 1.301 242 G CA -0.486 44.630 45.100 0.027 0.000 0.965 242 G HN 0.598 nan 8.290 nan 0.000 0.480 243 S N -0.263 115.463 115.700 0.044 0.000 2.540 243 S HA 0.701 5.171 4.470 -0.000 0.000 0.275 243 S C -1.029 173.609 174.600 0.063 0.000 1.123 243 S CA -0.575 57.662 58.200 0.062 0.000 0.907 243 S CB 1.061 64.284 63.200 0.038 0.000 1.081 243 S HN 0.472 nan 8.310 nan 0.000 0.476 244 I N 4.313 124.947 120.570 0.107 0.000 2.466 244 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 244 I C -1.316 174.840 176.117 0.065 0.000 1.026 244 I CA -0.680 60.679 61.300 0.099 0.000 1.078 244 I CB 1.729 39.825 38.000 0.160 0.000 1.249 244 I HN 0.468 nan 8.210 nan 0.000 0.429 245 I N 5.418 125.968 120.570 -0.032 0.000 2.509 245 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 245 I C -0.252 175.709 176.117 -0.261 0.000 1.020 245 I CA -0.636 60.578 61.300 -0.142 0.000 1.088 245 I CB 1.745 39.677 38.000 -0.113 0.000 1.267 245 I HN 0.408 nan 8.210 nan 0.000 0.430 246 Q N 8.120 127.598 119.800 -0.537 0.000 2.509 246 Q HA 0.439 4.779 4.340 -0.000 0.000 0.236 246 Q C -2.254 173.498 176.000 -0.414 0.000 1.073 246 Q CA -2.057 53.372 55.803 -0.623 0.000 0.867 246 Q CB 1.175 29.097 28.738 -1.360 0.000 1.181 246 Q HN 0.332 nan 8.270 nan 0.000 0.526 247 P HA 0.039 nan 4.420 nan 0.000 0.245 247 P C -0.596 176.635 177.300 -0.116 0.000 1.206 247 P CA 0.079 63.087 63.100 -0.154 0.000 0.781 247 P CB 0.465 32.100 31.700 -0.109 0.000 0.994 248 R N -0.715 119.715 120.500 -0.117 0.000 3.525 248 R HA -0.137 4.203 4.340 -0.000 0.000 0.276 248 R C 1.118 177.389 176.300 -0.048 0.000 1.116 248 R CA 0.210 56.269 56.100 -0.070 0.000 0.745 248 R CB -2.979 27.288 30.300 -0.054 0.000 1.185 248 R HN 0.339 nan 8.270 nan 0.000 0.454 249 L N -0.439 120.755 121.223 -0.049 0.000 2.131 249 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 249 L C 1.196 178.053 176.870 -0.021 0.000 1.092 249 L CA 1.402 56.222 54.840 -0.033 0.000 0.759 249 L CB -0.086 41.953 42.059 -0.034 0.000 0.903 249 L HN 0.068 nan 8.230 nan 0.000 0.435 250 R N -0.087 120.402 120.500 -0.019 0.000 2.664 250 R HA 0.238 4.578 4.340 -0.000 0.000 0.286 250 R C 0.162 176.460 176.300 -0.003 0.000 0.967 250 R CA -0.454 55.642 56.100 -0.006 0.000 0.933 250 R CB 0.934 31.235 30.300 0.001 0.000 1.146 250 R HN 0.007 nan 8.270 nan 0.000 0.468 251 N N 0.355 119.059 118.700 0.006 0.000 2.422 251 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 251 N C -0.280 175.248 175.510 0.031 0.000 1.080 251 N CA 0.434 53.492 53.050 0.014 0.000 0.893 251 N CB 0.420 38.915 38.487 0.013 0.000 0.973 251 N HN 0.417 nan 8.380 nan 0.000 0.456 252 T N 1.659 116.234 114.554 0.035 0.000 2.888 252 T HA 0.167 4.517 4.350 -0.000 0.000 0.301 252 T C 0.851 175.592 174.700 0.069 0.000 1.001 252 T CA 0.150 62.281 62.100 0.052 0.000 1.147 252 T CB 0.844 69.740 68.868 0.047 0.000 0.931 252 T HN 0.238 nan 8.240 nan 0.000 0.541 253 T N 1.122 115.732 114.554 0.093 0.000 2.924 253 T HA 0.613 4.963 4.350 -0.000 0.000 0.291 253 T C -0.388 174.399 174.700 0.144 0.000 1.045 253 T CA -1.272 60.901 62.100 0.122 0.000 1.015 253 T CB 1.572 70.521 68.868 0.136 0.000 1.103 253 T HN 0.456 nan 8.240 nan 0.000 0.496 254 R N 2.128 122.736 120.500 0.179 0.000 2.396 254 R HA 0.353 4.693 4.340 -0.000 0.000 0.292 254 R C -2.517 173.933 176.300 0.249 0.000 1.240 254 R CA -1.805 54.406 56.100 0.185 0.000 1.270 254 R CB 0.954 31.355 30.300 0.169 0.000 1.108 254 R HN 0.563 nan 8.270 nan 0.000 0.573 255 P HA 0.051 nan 4.420 nan 0.000 0.269 255 P C -0.505 176.797 177.300 0.004 0.000 1.215 255 P CA 0.029 63.209 63.100 0.134 0.000 0.780 255 P CB 1.044 32.776 31.700 0.052 0.000 0.898 256 L N 2.214 123.385 121.223 -0.086 0.000 2.334 256 L HA 0.626 4.966 4.340 -0.000 0.000 0.273 256 L C -0.185 176.706 176.870 0.036 0.000 1.013 256 L CA -0.819 53.985 54.840 -0.060 0.000 0.816 256 L CB 1.207 43.142 42.059 -0.206 0.000 1.278 256 L HN 0.320 nan 8.230 nan 0.000 0.431 257 F N 1.734 121.642 119.950 -0.070 0.000 2.588 257 F HA 0.487 5.013 4.527 -0.000 0.000 0.314 257 F C -1.064 174.770 175.800 0.057 0.000 1.134 257 F CA -0.497 57.478 58.000 -0.042 0.000 0.961 257 F CB 1.771 40.719 39.000 -0.087 0.000 1.239 257 F HN 0.438 nan 8.300 nan 0.000 0.448 258 N N 2.092 120.337 118.700 -0.758 0.000 2.265 258 N HA 0.703 5.443 4.740 -0.000 0.000 0.300 258 N C -1.605 173.372 175.510 -0.887 0.000 1.148 258 N CA -0.759 51.932 53.050 -0.598 0.000 0.772 258 N CB 2.400 40.769 38.487 -0.197 0.000 1.434 258 N HN 0.618 nan 8.380 nan 0.000 0.481 259 T N -1.256 113.028 114.554 -0.449 0.000 2.932 259 T HA 0.270 4.620 4.350 -0.000 0.000 0.318 259 T C 0.230 174.906 174.700 -0.039 0.000 1.265 259 T CA -0.569 61.418 62.100 -0.188 0.000 1.036 259 T CB 0.963 69.828 68.868 -0.005 0.000 1.209 259 T HN 0.508 nan 8.240 nan 0.000 0.484 260 S N 2.910 118.617 115.700 0.012 0.000 2.528 260 S HA 0.192 4.662 4.470 -0.000 0.000 0.219 260 S C 0.646 175.235 174.600 -0.018 0.000 0.985 260 S CA 0.029 58.226 58.200 -0.005 0.000 0.914 260 S CB -0.094 63.101 63.200 -0.009 0.000 0.776 260 S HN 0.599 nan 8.310 nan 0.000 0.526 261 N N 1.287 119.990 118.700 0.004 0.000 2.685 261 N HA 0.367 5.107 4.740 -0.000 0.000 0.252 261 N C -2.855 172.692 175.510 0.062 0.000 1.261 261 N CA -1.740 51.294 53.050 -0.026 0.000 0.768 261 N CB 1.695 40.080 38.487 -0.169 0.000 1.304 261 N HN -0.074 nan 8.380 nan 0.000 0.536 262 P HA -0.024 nan 4.420 nan 0.000 0.220 262 P C 1.064 178.424 177.300 0.099 0.000 1.148 262 P CA 1.182 64.362 63.100 0.133 0.000 0.803 262 P CB 0.486 32.247 31.700 0.101 0.000 0.782 263 T N -1.120 113.458 114.554 0.040 0.000 2.812 263 T HA 0.020 4.370 4.350 -0.000 0.000 0.264 263 T C 1.724 176.418 174.700 -0.010 0.000 1.042 263 T CA 1.019 63.127 62.100 0.013 0.000 1.140 263 T CB -0.436 68.425 68.868 -0.012 0.000 0.870 263 T HN 0.062 nan 8.240 nan 0.000 0.445 264 I N -0.841 119.701 120.570 -0.047 0.000 2.681 264 I HA 0.143 4.313 4.170 -0.000 0.000 0.247 264 I C 0.199 176.255 176.117 -0.102 0.000 1.091 264 I CA 0.268 61.480 61.300 -0.148 0.000 1.442 264 I CB 0.178 38.041 38.000 -0.229 0.000 1.219 264 I HN 0.055 nan 8.210 nan 0.000 0.451 265 F N 3.691 123.526 119.950 -0.192 0.000 2.659 265 F HA 0.134 4.661 4.527 0.000 0.000 0.360 265 F C 1.213 177.140 175.800 0.212 0.000 1.218 265 F CA -1.095 56.908 58.000 0.005 0.000 1.317 265 F CB -1.279 37.770 39.000 0.082 0.000 1.697 265 F HN -0.014 nan 8.300 nan 0.000 0.637 266 S N -0.154 115.726 115.700 0.299 0.000 2.645 266 S HA 0.137 4.607 4.470 -0.000 0.000 0.266 266 S C 1.353 175.948 174.600 -0.007 0.000 1.258 266 S CA -0.597 57.724 58.200 0.203 0.000 0.990 266 S CB 1.242 64.498 63.200 0.093 0.000 0.967 266 S HN 0.577 nan 8.310 nan 0.000 0.556 267 Q N 0.305 119.818 119.800 -0.478 0.000 2.096 267 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 267 Q C 1.690 177.418 176.000 -0.453 0.000 0.982 267 Q CA 2.103 57.298 55.803 -1.012 0.000 0.850 267 Q CB -0.277 27.904 28.738 -0.929 0.000 0.901 267 Q HN 0.879 nan 8.270 nan 0.000 0.422 268 E N -0.574 119.470 120.200 -0.260 0.000 2.077 268 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 268 E C 1.546 178.035 176.600 -0.184 0.000 0.989 268 E CA 1.382 57.654 56.400 -0.213 0.000 0.800 268 E CB -0.352 29.280 29.700 -0.112 0.000 0.746 268 E HN 0.459 nan 8.360 nan 0.000 0.452 269 Y N 1.348 121.539 120.300 -0.181 0.000 2.163 269 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 269 Y C 2.295 178.058 175.900 -0.228 0.000 1.136 269 Y CA 1.966 59.980 58.100 -0.144 0.000 1.147 269 Y CB -0.428 38.013 38.460 -0.032 0.000 0.987 269 Y HN -0.034 nan 8.280 nan 0.000 0.509 270 T N 0.355 114.876 114.554 -0.055 0.000 2.699 270 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 270 T C 1.582 176.026 174.700 -0.426 0.000 1.036 270 T CA 1.930 63.921 62.100 -0.181 0.000 1.147 270 T CB -0.301 68.621 68.868 0.091 0.000 0.862 270 T HN 0.470 nan 8.240 nan 0.000 0.446 271 E N 0.875 120.709 120.200 -0.611 0.000 2.077 271 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 271 E C 2.586 178.830 176.600 -0.594 0.000 0.989 271 E CA 0.973 56.773 56.400 -1.001 0.000 0.800 271 E CB -0.258 28.627 29.700 -1.358 0.000 0.746 271 E HN 0.491 nan 8.360 nan 0.000 0.452 272 A N 1.461 124.004 122.820 -0.462 0.000 1.940 272 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 272 A C 2.014 179.397 177.584 -0.336 0.000 1.176 272 A CA 1.300 53.126 52.037 -0.350 0.000 0.631 272 A CB -0.308 18.460 19.000 -0.386 0.000 0.814 272 A HN 0.032 nan 8.150 nan 0.000 0.446 273 R N -0.942 119.308 120.500 -0.416 0.000 2.090 273 R HA 0.022 4.362 4.340 -0.000 0.000 0.228 273 R C 1.879 178.051 176.300 -0.214 0.000 1.110 273 R CA 0.818 56.718 56.100 -0.333 0.000 0.973 273 R CB -1.274 28.814 30.300 -0.354 0.000 0.869 273 R HN 0.463 nan 8.270 nan 0.000 0.440 274 L N 2.038 123.138 121.223 -0.204 0.000 2.079 274 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 274 L C 2.191 179.053 176.870 -0.014 0.000 1.081 274 L CA 1.567 56.345 54.840 -0.103 0.000 0.752 274 L CB -0.926 41.014 42.059 -0.197 0.000 0.896 274 L HN 0.306 nan 8.230 nan 0.000 0.433 275 N N -0.504 118.194 118.700 -0.003 0.000 2.171 275 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 275 N C 1.329 176.789 175.510 -0.083 0.000 1.021 275 N CA 1.314 54.360 53.050 -0.007 0.000 0.854 275 N CB 0.086 38.588 38.487 0.025 0.000 0.994 275 N HN 0.298 nan 8.380 nan 0.000 0.426 276 D N 0.719 121.035 120.400 -0.139 0.000 2.123 276 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 276 D C 1.743 177.917 176.300 -0.210 0.000 0.992 276 D CA 1.241 55.134 54.000 -0.180 0.000 0.833 276 D CB -0.259 40.406 40.800 -0.225 0.000 0.954 276 D HN 0.420 nan 8.370 nan 0.000 0.455 277 A N -0.451 122.229 122.820 -0.234 0.000 1.861 277 A HA 0.010 4.330 4.320 -0.000 0.000 0.212 277 A C 1.575 178.823 177.584 -0.560 0.000 1.199 277 A CA 0.777 52.555 52.037 -0.431 0.000 0.613 277 A CB -0.447 18.279 19.000 -0.457 0.000 0.846 277 A HN 0.185 nan 8.150 nan 0.000 0.446 278 F N -1.784 118.114 119.950 -0.086 0.000 2.682 278 F HA 0.260 4.787 4.527 -0.000 0.000 0.308 278 F C 0.828 176.574 175.800 -0.091 0.000 1.093 278 F CA 0.128 58.089 58.000 -0.066 0.000 1.244 278 F CB 0.122 39.096 39.000 -0.043 0.000 1.052 278 F HN 0.318 nan 8.300 nan 0.000 0.573 279 N N 1.187 119.898 118.700 0.019 0.000 2.776 279 N HA -0.235 4.505 4.740 -0.000 0.000 0.250 279 N C -0.396 175.072 175.510 -0.071 0.000 1.112 279 N CA 0.195 53.227 53.050 -0.031 0.000 0.733 279 N CB -1.547 36.921 38.487 -0.031 0.000 1.097 279 N HN 0.272 nan 8.380 nan 0.000 0.558 280 I N 0.940 121.440 120.570 -0.116 0.000 2.662 280 I HA -0.094 4.076 4.170 -0.000 0.000 0.285 280 I C 1.673 177.526 176.117 -0.440 0.000 1.161 280 I CA 0.041 61.140 61.300 -0.334 0.000 1.415 280 I CB 0.758 38.437 38.000 -0.536 0.000 1.385 280 I HN 0.239 nan 8.210 nan 0.000 0.552 281 Q N 5.703 125.268 119.800 -0.392 0.000 2.178 281 Q HA 0.247 4.587 4.340 -0.000 0.000 0.195 281 Q C 0.211 175.977 176.000 -0.389 0.000 0.960 281 Q CA 0.999 56.639 55.803 -0.272 0.000 0.843 281 Q CB 0.207 28.855 28.738 -0.150 0.000 0.927 281 Q HN 0.562 nan 8.270 nan 0.000 0.487 282 L N 0.745 121.697 121.223 -0.451 0.000 2.296 282 L HA 0.313 4.653 4.340 -0.000 0.000 0.286 282 L C 0.250 176.863 176.870 -0.427 0.000 1.023 282 L CA -0.357 54.310 54.840 -0.288 0.000 0.812 282 L CB 0.882 42.864 42.059 -0.128 0.000 1.223 282 L HN 0.019 nan 8.230 nan 0.000 0.421 283 F N 0.672 120.639 119.950 0.029 0.000 2.553 283 F HA 0.057 4.584 4.527 0.000 0.000 0.282 283 F C 1.606 177.495 175.800 0.149 0.000 1.089 283 F CA -0.117 57.942 58.000 0.098 0.000 1.411 283 F CB 0.246 39.296 39.000 0.082 0.000 1.125 283 F HN 0.612 nan 8.300 nan 0.000 0.610 284 N N -0.263 118.600 118.700 0.272 0.000 2.291 284 N HA 0.118 4.858 4.740 -0.000 0.000 0.244 284 N C -0.392 175.193 175.510 0.124 0.000 1.216 284 N CA 0.230 53.395 53.050 0.191 0.000 0.879 284 N CB -0.432 38.155 38.487 0.167 0.000 1.167 284 N HN 0.187 nan 8.380 nan 0.000 0.515 285 T N -3.973 110.639 114.554 0.096 0.000 2.865 285 T HA 0.760 5.110 4.350 -0.000 0.000 0.294 285 T C -1.000 173.726 174.700 0.044 0.000 1.119 285 T CA -0.806 61.331 62.100 0.061 0.000 1.007 285 T CB 1.981 70.875 68.868 0.042 0.000 1.225 285 T HN 0.021 nan 8.240 nan 0.000 0.515 286 S N -0.443 115.278 115.700 0.034 0.000 2.542 286 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 286 S C 0.112 174.720 174.600 0.014 0.000 1.148 286 S CA -0.041 58.174 58.200 0.026 0.000 0.886 286 S CB 1.420 64.650 63.200 0.051 0.000 1.109 286 S HN 1.381 nan 8.310 nan 0.000 0.458 287 T N 0.047 114.603 114.554 0.004 0.000 3.129 287 T HA 0.304 4.654 4.350 -0.000 0.000 0.267 287 T C 0.133 174.831 174.700 -0.004 0.000 1.018 287 T CA -0.167 61.931 62.100 -0.004 0.000 0.903 287 T CB -0.125 68.737 68.868 -0.009 0.000 1.067 287 T HN 0.473 nan 8.240 nan 0.000 0.549 288 T N 4.543 119.105 114.554 0.014 0.000 2.727 288 T HA 0.565 4.915 4.350 -0.000 0.000 0.298 288 T C 0.149 174.871 174.700 0.036 0.000 0.942 288 T CA -0.797 61.319 62.100 0.026 0.000 0.997 288 T CB 0.386 69.281 68.868 0.045 0.000 0.917 288 T HN 0.490 nan 8.240 nan 0.000 0.487 289 L N 2.120 123.339 121.223 -0.007 0.000 2.418 289 L HA 0.888 5.228 4.340 -0.000 0.000 0.265 289 L C -0.393 176.477 176.870 0.001 0.000 1.143 289 L CA -0.678 54.118 54.840 -0.072 0.000 0.809 289 L CB -0.015 41.981 42.059 -0.104 0.000 1.124 289 L HN 0.524 nan 8.230 nan 0.000 0.456 290 F N -0.659 119.219 119.950 -0.121 0.000 2.599 290 F HA 0.891 5.418 4.527 -0.000 0.000 0.311 290 F C -0.622 175.006 175.800 -0.287 0.000 1.076 290 F CA -1.131 56.735 58.000 -0.224 0.000 0.937 290 F CB 1.664 40.518 39.000 -0.243 0.000 1.282 290 F HN 0.777 nan 8.300 nan 0.000 0.460 291 K N 2.181 122.441 120.400 -0.233 0.000 2.557 291 K HA 0.604 4.924 4.320 -0.000 0.000 0.261 291 K C -2.535 173.811 176.600 -0.422 0.000 0.932 291 K CA -0.558 55.574 56.287 -0.257 0.000 0.829 291 K CB 1.867 34.282 32.500 -0.142 0.000 1.358 291 K HN 0.674 nan 8.250 nan 0.000 0.430 292 F N 2.240 122.252 119.950 0.103 0.000 2.507 292 F HA 0.500 5.027 4.527 -0.000 0.000 0.325 292 F C -0.559 175.268 175.800 0.045 0.000 1.116 292 F CA -0.813 57.234 58.000 0.078 0.000 0.930 292 F CB 2.218 41.270 39.000 0.088 0.000 1.146 292 F HN 0.027 nan 8.300 nan 0.000 0.447 293 V N 2.067 122.109 119.914 0.213 0.000 2.531 293 V HA 0.630 4.750 4.120 -0.000 0.000 0.301 293 V C -1.046 175.110 176.094 0.104 0.000 1.034 293 V CA -0.699 61.674 62.300 0.121 0.000 0.865 293 V CB 1.829 33.695 31.823 0.072 0.000 0.995 293 V HN 0.661 nan 8.190 nan 0.000 0.424 294 E N 3.037 123.282 120.200 0.075 0.000 2.260 294 E HA 0.407 4.757 4.350 -0.000 0.000 0.266 294 E C -0.929 175.692 176.600 0.035 0.000 0.887 294 E CA -0.472 55.959 56.400 0.052 0.000 0.777 294 E CB 1.810 31.535 29.700 0.043 0.000 1.205 294 E HN 0.765 nan 8.360 nan 0.000 0.414 295 E N 3.222 123.439 120.200 0.028 0.000 2.134 295 E HA 0.626 4.976 4.350 -0.000 0.000 0.278 295 E C -0.991 175.618 176.600 0.015 0.000 0.959 295 E CA -0.829 55.583 56.400 0.020 0.000 0.783 295 E CB 1.019 30.730 29.700 0.018 0.000 1.095 295 E HN 0.613 nan 8.360 nan 0.000 0.399 296 A N 5.739 128.566 122.820 0.012 0.000 2.401 296 A HA 0.387 4.707 4.320 -0.000 0.000 0.259 296 A C -2.282 175.307 177.584 0.007 0.000 1.103 296 A CA -1.266 50.776 52.037 0.008 0.000 0.789 296 A CB 0.104 19.108 19.000 0.006 0.000 1.035 296 A HN 0.540 nan 8.150 nan 0.000 0.491 297 P HA 0.077 nan 4.420 nan 0.000 0.271 297 P C 1.252 178.555 177.300 0.004 0.000 1.244 297 P CA 0.445 63.548 63.100 0.005 0.000 0.793 297 P CB 0.316 32.018 31.700 0.004 0.000 0.984 298 T N -2.961 111.595 114.554 0.004 0.000 2.995 298 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 298 T C 1.144 175.846 174.700 0.002 0.000 1.091 298 T CA 1.150 63.252 62.100 0.003 0.000 1.128 298 T CB -0.862 68.008 68.868 0.003 0.000 0.891 298 T HN 0.407 nan 8.240 nan 0.000 0.492 299 N N 2.293 120.994 118.700 0.002 0.000 2.368 299 N HA 0.015 4.755 4.740 -0.000 0.000 0.178 299 N C 0.540 176.051 175.510 0.001 0.000 1.021 299 N CA 0.425 53.476 53.050 0.002 0.000 0.875 299 N CB -0.157 38.331 38.487 0.001 0.000 1.020 299 N HN 0.696 nan 8.380 nan 0.000 0.433 300 K N -0.388 120.013 120.400 0.001 0.000 2.267 300 K HA 0.427 4.747 4.320 -0.000 0.000 0.246 300 K C -1.026 175.574 176.600 0.001 0.000 0.954 300 K CA -0.842 55.446 56.287 0.001 0.000 0.824 300 K CB 1.295 33.796 32.500 0.001 0.000 1.167 300 K HN -0.226 nan 8.250 nan 0.000 0.431 301 N N 1.194 119.894 118.700 0.000 0.000 2.515 301 N HA 0.343 5.083 4.740 -0.000 0.000 0.279 301 N C -0.529 174.981 175.510 -0.001 0.000 1.164 301 N CA -0.376 52.674 53.050 0.000 0.000 0.982 301 N CB 0.597 39.083 38.487 -0.001 0.000 1.170 301 N HN 0.467 nan 8.380 nan 0.000 0.474 302 I N 0.126 120.695 120.570 -0.001 0.000 2.509 302 I HA 0.190 4.360 4.170 -0.000 0.000 0.293 302 I C 0.333 176.447 176.117 -0.005 0.000 1.020 302 I CA -0.650 60.649 61.300 -0.002 0.000 1.088 302 I CB 1.583 39.584 38.000 0.000 0.000 1.267 302 I HN 0.354 nan 8.210 nan 0.000 0.430 303 S N 7.247 122.943 115.700 -0.008 0.000 2.452 303 S HA 0.523 4.993 4.470 -0.000 0.000 0.284 303 S C -0.417 174.172 174.600 -0.018 0.000 1.171 303 S CA -0.588 57.605 58.200 -0.012 0.000 1.064 303 S CB 0.342 63.535 63.200 -0.011 0.000 0.967 303 S HN 0.601 nan 8.310 nan 0.000 0.484 304 M N 6.005 125.591 119.600 -0.023 0.000 2.072 304 M HA 0.460 4.940 4.480 -0.000 0.000 0.331 304 M C -0.988 175.279 176.300 -0.055 0.000 1.004 304 M CA -0.390 54.889 55.300 -0.034 0.000 0.952 304 M CB 0.589 33.181 32.600 -0.015 0.000 1.511 304 M HN 0.588 nan 8.290 nan 0.000 0.422 305 K N 4.390 124.746 120.400 -0.073 0.000 2.307 305 K HA 0.654 4.974 4.320 -0.000 0.000 0.263 305 K C -1.815 174.697 176.600 -0.146 0.000 0.973 305 K CA -0.625 55.590 56.287 -0.119 0.000 0.846 305 K CB 1.764 34.224 32.500 -0.066 0.000 1.100 305 K HN 0.597 nan 8.250 nan 0.000 0.438 306 V N 4.946 124.739 119.914 -0.203 0.000 2.604 306 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 306 V C -1.211 174.782 176.094 -0.167 0.000 1.043 306 V CA -0.784 61.456 62.300 -0.100 0.000 0.888 306 V CB 1.381 33.242 31.823 0.064 0.000 0.995 306 V HN 0.665 nan 8.190 nan 0.000 0.429 307 Y N 1.669 121.981 120.300 0.019 0.000 2.536 307 Y HA 0.475 5.025 4.550 -0.000 0.000 0.347 307 Y C 0.588 176.517 175.900 0.049 0.000 1.000 307 Y CA -1.057 57.063 58.100 0.033 0.000 1.051 307 Y CB 1.582 40.041 38.460 -0.001 0.000 1.259 307 Y HN 0.509 nan 8.280 nan 0.000 0.468 308 N N 1.039 119.861 118.700 0.203 0.000 2.482 308 N HA 0.264 5.004 4.740 -0.000 0.000 0.260 308 N C -0.238 175.229 175.510 -0.072 0.000 1.236 308 N CA 0.324 53.402 53.050 0.046 0.000 0.938 308 N CB 1.142 39.623 38.487 -0.010 0.000 1.128 308 N HN 0.788 nan 8.380 nan 0.000 0.448 309 T N -1.878 112.520 114.554 -0.260 0.000 2.838 309 T HA 0.697 5.047 4.350 -0.000 0.000 0.292 309 T C -1.145 173.292 174.700 -0.439 0.000 1.113 309 T CA -0.701 61.272 62.100 -0.212 0.000 1.008 309 T CB 1.021 69.846 68.868 -0.071 0.000 1.259 309 T HN 0.363 nan 8.240 nan 0.000 0.520 310 Y N -0.982 119.444 120.300 0.210 0.000 2.553 310 Y HA 0.627 5.177 4.550 0.000 0.000 0.347 310 Y C 0.077 176.117 175.900 0.233 0.000 1.019 310 Y CA -1.162 57.082 58.100 0.240 0.000 1.032 310 Y CB 1.993 40.645 38.460 0.319 0.000 1.284 310 Y HN 0.758 nan 8.280 nan 0.000 0.466 311 E N 2.100 122.494 120.200 0.323 0.000 2.174 311 E HA 0.216 4.566 4.350 -0.000 0.000 0.282 311 E C -1.077 175.482 176.600 -0.068 0.000 0.992 311 E CA -0.818 55.651 56.400 0.116 0.000 0.803 311 E CB 1.009 30.741 29.700 0.054 0.000 1.090 311 E HN 0.440 nan 8.360 nan 0.000 0.396 312 K N 4.401 124.558 120.400 -0.406 0.000 2.253 312 K HA 0.189 4.509 4.320 -0.000 0.000 0.277 312 K C -1.528 174.654 176.600 -0.698 0.000 1.053 312 K CA -0.320 55.484 56.287 -0.805 0.000 0.892 312 K CB 0.434 32.058 32.500 -1.459 0.000 1.102 312 K HN 0.414 nan 8.250 nan 0.000 0.469 313 Y N 1.881 121.958 120.300 -0.373 0.000 2.409 313 Y HA 0.254 4.804 4.550 -0.000 0.000 0.339 313 Y C -0.170 175.611 175.900 -0.198 0.000 1.033 313 Y CA -0.715 57.264 58.100 -0.201 0.000 1.094 313 Y CB 1.959 40.370 38.460 -0.082 0.000 1.210 313 Y HN 0.562 nan 8.280 nan 0.000 0.456 314 E N 3.110 123.322 120.200 0.020 0.000 2.185 314 E HA 0.393 4.743 4.350 -0.000 0.000 0.261 314 E C -1.925 174.706 176.600 0.051 0.000 0.879 314 E CA -0.995 55.397 56.400 -0.013 0.000 0.756 314 E CB 1.211 30.876 29.700 -0.057 0.000 1.152 314 E HN 0.553 nan 8.360 nan 0.000 0.416 315 L N 7.218 128.462 121.223 0.035 0.000 2.264 315 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 315 L C -0.891 176.057 176.870 0.130 0.000 1.044 315 L CA -0.346 54.492 54.840 -0.004 0.000 0.807 315 L CB 0.791 42.720 42.059 -0.217 0.000 1.192 315 L HN 0.516 nan 8.230 nan 0.000 0.425 316 I N 1.527 122.227 120.570 0.218 0.000 2.569 316 I HA 0.578 4.748 4.170 -0.000 0.000 0.296 316 I C -0.760 175.634 176.117 0.462 0.000 1.028 316 I CA -0.896 60.612 61.300 0.346 0.000 1.082 316 I CB 1.942 40.071 38.000 0.215 0.000 1.264 316 I HN 0.588 nan 8.210 nan 0.000 0.429 317 N N 4.365 123.348 118.700 0.471 0.000 2.462 317 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 317 N C -1.715 173.985 175.510 0.317 0.000 1.010 317 N CA -0.190 53.070 53.050 0.349 0.000 0.939 317 N CB 0.449 39.017 38.487 0.134 0.000 1.127 317 N HN 0.620 nan 8.380 nan 0.000 0.509 318 Y N 3.325 123.756 120.300 0.217 0.000 2.353 318 Y HA 0.426 4.976 4.550 -0.000 0.000 0.340 318 Y C -0.893 175.079 175.900 0.119 0.000 0.972 318 Y CA -0.447 57.752 58.100 0.165 0.000 1.157 318 Y CB 0.741 39.347 38.460 0.243 0.000 1.157 318 Y HN 0.406 nan 8.280 nan 0.000 0.495 319 Q N 4.715 124.381 119.800 -0.223 0.000 2.274 319 Q HA 0.242 4.582 4.340 -0.000 0.000 0.268 319 Q C -0.566 175.205 176.000 -0.382 0.000 1.015 319 Q CA -0.757 54.911 55.803 -0.225 0.000 0.775 319 Q CB 1.535 30.218 28.738 -0.092 0.000 1.256 319 Q HN 0.817 nan 8.270 nan 0.000 0.442 320 N N 1.470 119.954 118.700 -0.360 0.000 2.714 320 N HA -0.225 4.515 4.740 -0.000 0.000 0.252 320 N C 0.653 175.723 175.510 -0.734 0.000 1.014 320 N CA 1.488 54.321 53.050 -0.361 0.000 0.735 320 N CB -1.070 37.312 38.487 -0.175 0.000 0.924 320 N HN 1.075 nan 8.380 nan 0.000 0.540 321 G N -1.736 106.233 108.800 -1.384 0.000 2.155 321 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 321 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 321 G C -0.130 174.396 174.900 -0.623 0.000 0.983 321 G CA 0.393 44.547 45.100 -1.576 0.000 0.676 321 G HN 0.600 nan 8.290 nan 0.000 0.528 322 N N -0.651 117.726 118.700 -0.538 0.000 2.240 322 N HA 0.519 5.259 4.740 -0.000 0.000 0.302 322 N C -0.283 175.260 175.510 0.055 0.000 1.106 322 N CA -0.649 52.326 53.050 -0.125 0.000 0.778 322 N CB 1.498 39.911 38.487 -0.123 0.000 1.431 322 N HN 0.091 nan 8.380 nan 0.000 0.479 323 I N 2.127 122.802 120.570 0.176 0.000 2.308 323 I HA 0.060 4.230 4.170 -0.000 0.000 0.293 323 I C 0.729 176.894 176.117 0.079 0.000 1.078 323 I CA -0.250 61.166 61.300 0.193 0.000 1.292 323 I CB 0.568 38.662 38.000 0.157 0.000 1.423 323 I HN 0.367 nan 8.210 nan 0.000 0.493 324 D N 3.698 124.127 120.400 0.050 0.000 2.137 324 D HA 0.010 4.650 4.640 -0.000 0.000 0.202 324 D C 0.191 176.456 176.300 -0.057 0.000 0.970 324 D CA 1.371 55.359 54.000 -0.020 0.000 0.837 324 D CB 0.296 41.068 40.800 -0.048 0.000 0.981 324 D HN 0.454 nan 8.370 nan 0.000 0.475 325 D N -0.180 120.177 120.400 -0.071 0.000 2.671 325 D HA 0.287 4.927 4.640 -0.000 0.000 0.232 325 D C -0.545 175.816 176.300 0.102 0.000 1.114 325 D CA -0.449 53.461 54.000 -0.149 0.000 0.858 325 D CB 2.697 43.115 40.800 -0.636 0.000 1.544 325 D HN -0.186 nan 8.370 nan 0.000 0.471 326 K N 0.828 121.326 120.400 0.165 0.000 2.535 326 K HA 0.652 4.972 4.320 -0.000 0.000 0.250 326 K C -1.854 174.890 176.600 0.240 0.000 0.948 326 K CA -0.579 55.850 56.287 0.237 0.000 0.796 326 K CB 2.071 34.635 32.500 0.106 0.000 1.216 326 K HN 0.496 nan 8.250 nan 0.000 0.432 327 A N 3.940 126.906 122.820 0.243 0.000 2.355 327 A HA 0.518 4.838 4.320 -0.000 0.000 0.317 327 A C -1.220 176.345 177.584 -0.032 0.000 1.094 327 A CA -0.700 51.376 52.037 0.065 0.000 0.764 327 A CB 1.056 20.155 19.000 0.165 0.000 1.230 327 A HN 0.781 nan 8.150 nan 0.000 0.448 328 E N 0.952 121.050 120.200 -0.170 0.000 2.165 328 E HA 0.354 4.704 4.350 -0.000 0.000 0.266 328 E C -1.968 174.530 176.600 -0.170 0.000 0.889 328 E CA -0.247 56.020 56.400 -0.221 0.000 0.756 328 E CB 2.125 31.669 29.700 -0.261 0.000 1.131 328 E HN 0.614 nan 8.360 nan 0.000 0.411 329 Y N 2.590 122.756 120.300 -0.223 0.000 2.328 329 Y HA 0.293 4.843 4.550 0.000 0.000 0.336 329 Y C -1.388 174.404 175.900 -0.180 0.000 0.960 329 Y CA -0.849 57.263 58.100 0.020 0.000 1.134 329 Y CB 0.856 39.406 38.460 0.151 0.000 1.166 329 Y HN 0.479 nan 8.280 nan 0.000 0.464 330 Y N 7.030 127.228 120.300 -0.170 0.000 2.491 330 Y HA 0.303 4.853 4.550 -0.000 0.000 0.334 330 Y C -0.622 175.381 175.900 0.171 0.000 0.969 330 Y CA -0.806 57.248 58.100 -0.077 0.000 1.241 330 Y CB 0.812 39.024 38.460 -0.413 0.000 1.105 330 Y HN 0.502 nan 8.280 nan 0.000 0.503 331 L N 7.582 129.127 121.223 0.537 0.000 2.361 331 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 331 L C -2.438 174.711 176.870 0.465 0.000 1.113 331 L CA -2.251 52.915 54.840 0.543 0.000 0.849 331 L CB 0.299 42.662 42.059 0.507 0.000 1.155 331 L HN 0.282 nan 8.230 nan 0.000 0.452 332 P HA 0.087 nan 4.420 nan 0.000 0.265 332 P C -0.754 176.612 177.300 0.110 0.000 1.193 332 P CA 0.117 63.346 63.100 0.216 0.000 0.765 332 P CB 1.026 32.843 31.700 0.195 0.000 0.823 333 S N 1.825 117.518 115.700 -0.012 0.000 2.837 333 S HA 0.517 4.987 4.470 -0.000 0.000 0.314 333 S C 0.402 174.919 174.600 -0.138 0.000 1.098 333 S CA -0.794 57.391 58.200 -0.025 0.000 0.903 333 S CB 0.496 63.689 63.200 -0.011 0.000 1.310 333 S HN 0.277 nan 8.310 nan 0.000 0.581 334 L N 2.095 123.174 121.223 -0.239 0.000 2.848 334 L HA 0.428 4.768 4.340 -0.000 0.000 0.240 334 L C 0.949 177.146 176.870 -1.120 0.000 1.232 334 L CA 0.052 54.547 54.840 -0.575 0.000 1.031 334 L CB -0.749 41.180 42.059 -0.217 0.000 1.338 334 L HN 0.938 nan 8.230 nan 0.000 0.509 335 G N 0.955 109.293 108.800 -0.771 0.000 2.795 335 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.664 335 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.664 335 G C -0.942 173.922 174.900 -0.061 0.000 1.381 335 G CA -0.704 44.092 45.100 -0.507 0.000 0.853 335 G HN 0.194 nan 8.290 nan 0.000 0.545 336 K N -1.189 119.235 120.400 0.040 0.000 2.498 336 K HA 0.593 4.913 4.320 -0.000 0.000 0.254 336 K C -1.242 175.186 176.600 -0.286 0.000 0.933 336 K CA -0.536 55.717 56.287 -0.056 0.000 0.806 336 K CB 2.017 34.485 32.500 -0.053 0.000 1.301 336 K HN 1.133 nan 8.250 nan 0.000 0.432 337 C N 3.423 122.363 119.300 -0.599 0.000 2.396 337 C HA 0.499 4.959 4.460 -0.000 0.000 0.321 337 C C -1.045 173.772 174.990 -0.289 0.000 1.233 337 C CA -0.445 58.163 59.018 -0.683 0.000 1.440 337 C CB 0.949 27.804 27.740 -1.474 0.000 2.110 337 C HN 0.770 nan 8.230 nan 0.000 0.473 338 E N 3.743 123.867 120.200 -0.128 0.000 2.113 338 E HA 0.416 4.766 4.350 -0.000 0.000 0.273 338 E C -0.459 176.107 176.600 -0.057 0.000 0.924 338 E CA -0.040 56.327 56.400 -0.056 0.000 0.764 338 E CB 1.826 31.544 29.700 0.031 0.000 1.104 338 E HN 0.721 nan 8.360 nan 0.000 0.406 339 V N 0.861 120.743 119.914 -0.054 0.000 2.483 339 V HA 0.871 4.991 4.120 -0.000 0.000 0.295 339 V C -0.002 176.081 176.094 -0.019 0.000 1.035 339 V CA -0.570 61.710 62.300 -0.033 0.000 0.896 339 V CB 1.474 33.281 31.823 -0.026 0.000 0.986 339 V HN 0.641 nan 8.190 nan 0.000 0.447 340 S N 1.404 117.096 115.700 -0.012 0.000 2.643 340 S HA 0.506 4.976 4.470 -0.000 0.000 0.270 340 S C -1.235 173.362 174.600 -0.005 0.000 1.166 340 S CA -0.954 57.242 58.200 -0.008 0.000 0.815 340 S CB 1.491 64.688 63.200 -0.005 0.000 1.139 340 S HN 0.728 nan 8.310 nan 0.000 0.472 341 D N 1.766 122.164 120.400 -0.004 0.000 2.458 341 D HA 0.468 5.108 4.640 -0.000 0.000 0.243 341 D C 0.559 176.858 176.300 -0.003 0.000 1.146 341 D CA 0.592 54.590 54.000 -0.003 0.000 0.877 341 D CB 0.705 41.504 40.800 -0.002 0.000 1.176 341 D HN 0.895 nan 8.370 nan 0.000 0.461 342 A N 4.294 127.112 122.820 -0.003 0.000 2.546 342 A HA 0.287 4.607 4.320 -0.000 0.000 0.243 342 A C -1.737 175.845 177.584 -0.003 0.000 1.063 342 A CA -0.881 51.154 52.037 -0.004 0.000 0.757 342 A CB -0.350 18.648 19.000 -0.003 0.000 0.991 342 A HN 0.395 nan 8.150 nan 0.000 0.503 343 P HA 0.144 nan 4.420 nan 0.000 0.274 343 P C -0.036 177.263 177.300 -0.002 0.000 1.237 343 P CA -0.309 62.790 63.100 -0.002 0.000 0.793 343 P CB 0.777 32.476 31.700 -0.002 0.000 0.977 344 S N 1.855 117.554 115.700 -0.002 0.000 2.510 344 S HA 0.160 4.630 4.470 -0.000 0.000 0.279 344 S C -1.146 173.453 174.600 -0.002 0.000 1.284 344 S CA -1.220 56.979 58.200 -0.002 0.000 1.059 344 S CB -0.203 62.997 63.200 -0.001 0.000 0.901 344 S HN 0.290 nan 8.310 nan 0.000 0.491 345 P HA -0.030 nan 4.420 nan 0.000 0.226 345 P C 0.355 177.654 177.300 -0.002 0.000 1.153 345 P CA 0.786 63.885 63.100 -0.003 0.000 0.777 345 P CB 0.124 31.822 31.700 -0.003 0.000 0.794 346 Q N -0.434 119.365 119.800 -0.002 0.000 2.320 346 Q HA 0.308 4.648 4.340 -0.000 0.000 0.201 346 Q C 0.652 176.651 176.000 -0.001 0.000 0.910 346 Q CA -0.198 55.604 55.803 -0.002 0.000 0.946 346 Q CB -0.440 28.298 28.738 -0.001 0.000 1.062 346 Q HN 0.162 nan 8.270 nan 0.000 0.503 347 A N 2.474 125.293 122.820 -0.001 0.000 2.511 347 A HA 0.283 4.603 4.320 -0.000 0.000 0.242 347 A C -1.852 175.731 177.584 -0.001 0.000 1.069 347 A CA -1.039 50.997 52.037 -0.001 0.000 0.763 347 A CB -0.387 18.612 19.000 -0.001 0.000 1.001 347 A HN 0.119 nan 8.150 nan 0.000 0.498 348 P HA 0.116 nan 4.420 nan 0.000 0.263 348 P C -0.506 176.794 177.300 -0.001 0.000 1.195 348 P CA -0.002 63.098 63.100 -0.001 0.000 0.762 348 P CB 0.343 32.042 31.700 -0.001 0.000 0.799 349 V N 5.136 125.049 119.914 -0.001 0.000 2.397 349 V HA 0.016 4.136 4.120 -0.000 0.000 0.262 349 V C 0.739 176.833 176.094 -0.000 0.000 1.047 349 V CA -0.196 62.103 62.300 -0.001 0.000 1.003 349 V CB 0.732 32.555 31.823 -0.001 0.000 1.037 349 V HN 0.274 nan 8.190 nan 0.000 0.480 350 V N 5.547 125.461 119.914 -0.000 0.000 2.432 350 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 350 V C 0.516 176.610 176.094 -0.000 0.000 1.043 350 V CA -0.678 61.622 62.300 -0.000 0.000 0.925 350 V CB 1.335 33.158 31.823 0.000 0.000 0.985 350 V HN 0.862 nan 8.190 nan 0.000 0.466 351 E N 3.581 123.780 120.200 -0.000 0.000 2.104 351 E HA 0.295 4.645 4.350 -0.000 0.000 0.278 351 E C 0.031 176.631 176.600 -0.001 0.000 1.127 351 E CA -0.135 56.264 56.400 -0.001 0.000 0.897 351 E CB 0.572 30.271 29.700 -0.001 0.000 1.043 351 E HN 0.831 nan 8.360 nan 0.000 0.410 352 T N 0.865 115.419 114.554 -0.000 0.000 2.863 352 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 352 T C -1.960 172.740 174.700 -0.001 0.000 1.009 352 T CA -1.868 60.231 62.100 -0.001 0.000 0.989 352 T CB 1.416 70.284 68.868 0.000 0.000 1.004 352 T HN 0.165 nan 8.240 nan 0.000 0.455 353 P HA 0.331 nan 4.420 nan 0.000 0.277 353 P C -0.230 177.067 177.300 -0.004 0.000 1.240 353 P CA -0.621 62.477 63.100 -0.003 0.000 0.798 353 P CB 0.801 32.499 31.700 -0.003 0.000 0.979 354 V N 3.019 122.929 119.914 -0.006 0.000 2.599 354 V HA -0.014 4.106 4.120 -0.000 0.000 0.300 354 V C 0.461 176.549 176.094 -0.010 0.000 1.034 354 V CA 0.181 62.476 62.300 -0.008 0.000 1.115 354 V CB -0.157 31.660 31.823 -0.010 0.000 0.934 354 V HN 0.824 nan 8.190 nan 0.000 0.485 355 D N 6.158 126.551 120.400 -0.012 0.000 2.383 355 D HA 0.198 4.838 4.640 -0.000 0.000 0.248 355 D C 0.033 176.322 176.300 -0.019 0.000 1.170 355 D CA -0.595 53.398 54.000 -0.013 0.000 0.977 355 D CB 0.334 41.128 40.800 -0.011 0.000 1.120 355 D HN 0.606 nan 8.370 nan 0.000 0.481 356 Q N -0.194 119.596 119.800 -0.016 0.000 2.342 356 Q HA -0.094 4.246 4.340 -0.000 0.000 0.330 356 Q C -0.424 175.554 176.000 -0.036 0.000 1.117 356 Q CA 0.398 56.189 55.803 -0.019 0.000 1.010 356 Q CB 0.063 28.796 28.738 -0.009 0.000 1.204 356 Q HN 0.626 nan 8.270 nan 0.000 0.400 357 D N 0.976 121.349 120.400 -0.045 0.000 2.339 357 D HA 0.481 5.121 4.640 -0.000 0.000 0.241 357 D C -0.216 176.024 176.300 -0.100 0.000 1.183 357 D CA 0.531 54.483 54.000 -0.080 0.000 0.859 357 D CB 0.446 41.203 40.800 -0.071 0.000 1.067 357 D HN 0.710 nan 8.370 nan 0.000 0.484 358 G N 2.228 110.930 108.800 -0.164 0.000 2.474 358 G HA2 0.315 4.275 3.960 -0.000 0.000 0.234 358 G HA3 0.315 4.275 3.960 -0.000 0.000 0.234 358 G C -1.626 173.067 174.900 -0.345 0.000 1.204 358 G CA -0.638 44.355 45.100 -0.179 0.000 0.939 358 G HN 0.339 nan 8.290 nan 0.000 0.491 359 F N -0.297 119.649 119.950 -0.008 0.000 2.561 359 F HA 0.827 5.354 4.527 -0.000 0.000 0.321 359 F C -0.077 175.768 175.800 0.075 0.000 1.065 359 F CA -0.751 57.271 58.000 0.037 0.000 0.934 359 F CB 2.312 41.369 39.000 0.096 0.000 1.215 359 F HN 0.407 nan 8.300 nan 0.000 0.471 360 I N 1.411 122.136 120.570 0.257 0.000 2.785 360 I HA 0.358 4.528 4.170 -0.000 0.000 0.302 360 I C -1.160 174.947 176.117 -0.017 0.000 1.069 360 I CA -0.831 60.532 61.300 0.104 0.000 1.045 360 I CB 2.092 40.094 38.000 0.004 0.000 1.236 360 I HN 0.570 nan 8.210 nan 0.000 0.429 361 Q N 2.835 122.494 119.800 -0.234 0.000 2.290 361 Q HA 0.392 4.732 4.340 -0.000 0.000 0.259 361 Q C -0.143 175.670 176.000 -0.311 0.000 0.941 361 Q CA -0.058 55.407 55.803 -0.564 0.000 0.912 361 Q CB 1.289 29.504 28.738 -0.872 0.000 1.244 361 Q HN 0.846 nan 8.270 nan 0.000 0.441 362 T N -0.423 113.969 114.554 -0.271 0.000 3.010 362 T HA 0.321 4.671 4.350 -0.000 0.000 0.257 362 T C 0.653 175.261 174.700 -0.153 0.000 1.020 362 T CA 0.165 62.154 62.100 -0.185 0.000 0.938 362 T CB 0.525 69.286 68.868 -0.178 0.000 1.049 362 T HN 0.494 nan 8.240 nan 0.000 0.522 363 G N 2.574 111.270 108.800 -0.174 0.000 2.535 363 G HA2 0.624 4.584 3.960 -0.000 0.000 0.303 363 G HA3 0.624 4.584 3.960 -0.000 0.000 0.303 363 G C -2.579 172.258 174.900 -0.106 0.000 1.237 363 G CA -1.647 43.383 45.100 -0.116 0.000 0.986 363 G HN 0.219 nan 8.290 nan 0.000 0.494 364 P HA 0.081 nan 4.420 nan 0.000 0.272 364 P C -0.512 176.757 177.300 -0.051 0.000 1.223 364 P CA -0.558 62.510 63.100 -0.052 0.000 0.784 364 P CB 0.671 32.351 31.700 -0.033 0.000 0.923 365 N N 1.869 120.545 118.700 -0.040 0.000 2.412 365 N HA 0.005 4.745 4.740 -0.000 0.000 0.258 365 N C 0.228 175.729 175.510 -0.014 0.000 1.236 365 N CA 0.882 53.916 53.050 -0.027 0.000 0.882 365 N CB 0.350 38.827 38.487 -0.016 0.000 1.066 365 N HN 0.583 nan 8.380 nan 0.000 0.465 366 E N 1.757 121.954 120.200 -0.005 0.000 2.335 366 E HA 0.227 4.577 4.350 -0.000 0.000 0.280 366 E C -1.779 174.823 176.600 0.003 0.000 0.918 366 E CA -0.607 55.791 56.400 -0.003 0.000 0.765 366 E CB 1.393 31.080 29.700 -0.021 0.000 1.218 366 E HN 0.454 nan 8.360 nan 0.000 0.425 367 N N 5.770 124.476 118.700 0.010 0.000 2.701 367 N HA 0.260 5.000 4.740 -0.000 0.000 0.258 367 N C -1.624 173.908 175.510 0.036 0.000 1.262 367 N CA -0.224 52.834 53.050 0.015 0.000 0.780 367 N CB 0.738 39.237 38.487 0.020 0.000 1.380 367 N HN 0.520 nan 8.380 nan 0.000 0.548 368 I N 4.342 124.943 120.570 0.051 0.000 2.355 368 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 368 I C 0.085 176.288 176.117 0.143 0.000 0.999 368 I CA -0.654 60.710 61.300 0.107 0.000 1.163 368 I CB 1.593 39.683 38.000 0.150 0.000 1.316 368 I HN 0.259 nan 8.210 nan 0.000 0.454 369 I N 7.079 127.696 120.570 0.078 0.000 2.331 369 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 369 I C -0.482 175.642 176.117 0.012 0.000 0.998 369 I CA -0.720 60.587 61.300 0.011 0.000 1.267 369 I CB 1.572 39.471 38.000 -0.169 0.000 1.386 369 I HN 0.177 nan 8.210 nan 0.000 0.476 370 V N 5.355 125.269 119.914 0.000 0.000 2.482 370 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 370 V C 0.577 176.630 176.094 -0.069 0.000 1.026 370 V CA -0.646 61.590 62.300 -0.106 0.000 0.856 370 V CB 1.560 33.137 31.823 -0.411 0.000 1.001 370 V HN 0.907 nan 8.190 nan 0.000 0.424 371 G N 3.171 111.955 108.800 -0.028 0.000 2.467 371 G HA2 0.557 4.517 3.960 -0.000 0.000 0.257 371 G HA3 0.557 4.517 3.960 -0.000 0.000 0.257 371 G C -0.322 174.382 174.900 -0.326 0.000 1.227 371 G CA -0.100 44.859 45.100 -0.235 0.000 0.835 371 G HN 1.111 nan 8.290 nan 0.000 0.556 372 V N 0.726 120.391 119.914 -0.415 0.000 2.823 372 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 372 V C 0.237 176.051 176.094 -0.466 0.000 1.072 372 V CA -1.580 60.483 62.300 -0.396 0.000 0.937 372 V CB 1.743 33.380 31.823 -0.311 0.000 1.013 372 V HN 0.610 nan 8.190 nan 0.000 0.430 373 I N 3.684 123.907 120.570 -0.579 0.000 2.906 373 I HA -0.021 4.149 4.170 -0.000 0.000 0.301 373 I C 0.859 176.787 176.117 -0.315 0.000 1.221 373 I CA 0.785 61.662 61.300 -0.705 0.000 1.435 373 I CB -0.395 37.113 38.000 -0.821 0.000 1.345 373 I HN 0.930 nan 8.210 nan 0.000 0.558 374 N N 10.707 129.369 118.700 -0.063 0.000 2.427 374 N HA 0.057 4.797 4.740 -0.000 0.000 0.269 374 N C -1.560 173.999 175.510 0.083 0.000 1.235 374 N CA -1.484 51.611 53.050 0.075 0.000 0.934 374 N CB 0.930 39.519 38.487 0.169 0.000 1.121 374 N HN 0.325 nan 8.380 nan 0.000 0.480 375 P HA -0.042 nan 4.420 nan 0.000 0.233 375 P C 0.636 177.981 177.300 0.076 0.000 1.167 375 P CA 0.637 63.749 63.100 0.020 0.000 0.770 375 P CB 0.104 31.785 31.700 -0.032 0.000 0.837 376 S N -1.865 113.902 115.700 0.111 0.000 2.593 376 S HA 0.095 4.565 4.470 -0.000 0.000 0.217 376 S C 0.534 175.187 174.600 0.087 0.000 0.966 376 S CA -0.250 58.009 58.200 0.098 0.000 0.914 376 S CB -0.562 62.699 63.200 0.101 0.000 0.776 376 S HN 0.130 nan 8.310 nan 0.000 0.523 377 E N 3.014 123.283 120.200 0.115 0.000 2.171 377 E HA 0.313 4.663 4.350 -0.000 0.000 0.271 377 E C -0.490 176.209 176.600 0.164 0.000 0.916 377 E CA -0.917 55.549 56.400 0.109 0.000 0.774 377 E CB 0.911 30.645 29.700 0.057 0.000 1.128 377 E HN 0.517 nan 8.360 nan 0.000 0.403 378 N N 3.342 122.118 118.700 0.128 0.000 2.424 378 N HA 0.180 4.920 4.740 -0.000 0.000 0.257 378 N C -0.478 175.160 175.510 0.214 0.000 1.250 378 N CA -0.032 53.104 53.050 0.143 0.000 0.946 378 N CB 1.085 39.636 38.487 0.107 0.000 1.175 378 N HN 0.366 nan 8.380 nan 0.000 0.477 379 I N 0.524 121.212 120.570 0.197 0.000 2.382 379 I HA 0.150 4.320 4.170 -0.000 0.000 0.286 379 I C 0.031 176.271 176.117 0.205 0.000 1.002 379 I CA -0.754 60.694 61.300 0.247 0.000 1.135 379 I CB 1.382 39.511 38.000 0.214 0.000 1.288 379 I HN 0.323 nan 8.210 nan 0.000 0.448 380 E N 5.448 125.784 120.200 0.226 0.000 2.314 380 E HA 0.368 4.718 4.350 -0.000 0.000 0.262 380 E C -0.674 176.016 176.600 0.150 0.000 1.093 380 E CA -0.394 56.125 56.400 0.198 0.000 0.908 380 E CB 1.945 31.801 29.700 0.260 0.000 1.091 380 E HN 0.524 nan 8.360 nan 0.000 0.425 381 E N 1.382 121.651 120.200 0.114 0.000 2.263 381 E HA 0.311 4.661 4.350 -0.000 0.000 0.268 381 E C -1.042 175.581 176.600 0.037 0.000 0.884 381 E CA -0.475 55.958 56.400 0.055 0.000 0.766 381 E CB 1.111 30.838 29.700 0.044 0.000 1.196 381 E HN 0.355 nan 8.360 nan 0.000 0.416 382 I N 4.730 125.284 120.570 -0.028 0.000 2.281 382 I HA 0.037 4.207 4.170 -0.000 0.000 0.293 382 I C 1.480 177.561 176.117 -0.060 0.000 1.085 382 I CA -0.065 61.206 61.300 -0.049 0.000 1.257 382 I CB 1.035 38.926 38.000 -0.182 0.000 1.430 382 I HN 0.614 nan 8.210 nan 0.000 0.489 383 S N 2.531 118.215 115.700 -0.026 0.000 2.368 383 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 383 S C 1.030 175.590 174.600 -0.067 0.000 1.029 383 S CA 0.560 58.738 58.200 -0.036 0.000 0.988 383 S CB -0.446 62.749 63.200 -0.008 0.000 0.838 383 S HN 0.586 nan 8.310 nan 0.000 0.462 384 T N 5.408 119.911 114.554 -0.084 0.000 2.851 384 T HA 0.365 4.715 4.350 -0.000 0.000 0.298 384 T C -2.631 171.961 174.700 -0.179 0.000 0.977 384 T CA -1.152 60.882 62.100 -0.110 0.000 1.126 384 T CB 1.001 69.812 68.868 -0.095 0.000 0.916 384 T HN 0.294 nan 8.240 nan 0.000 0.529 385 P HA 0.131 nan 4.420 nan 0.000 0.267 385 P C 0.203 177.371 177.300 -0.219 0.000 1.205 385 P CA -0.397 62.608 63.100 -0.158 0.000 0.765 385 P CB 0.112 31.753 31.700 -0.098 0.000 0.828 386 I N 2.960 123.344 120.570 -0.310 0.000 2.634 386 I HA 0.366 4.536 4.170 -0.000 0.000 0.284 386 I C -2.155 173.854 176.117 -0.180 0.000 1.124 386 I CA -2.318 58.725 61.300 -0.428 0.000 1.417 386 I CB 0.370 37.942 38.000 -0.712 0.000 1.396 386 I HN 0.168 nan 8.210 nan 0.000 0.571 387 P HA 0.158 nan 4.420 nan 0.000 0.307 387 P C -0.159 177.221 177.300 0.134 0.000 1.306 387 P CA -0.083 63.038 63.100 0.035 0.000 0.742 387 P CB 0.584 32.313 31.700 0.049 0.000 1.349 388 D N -1.077 119.401 120.400 0.129 0.000 2.149 388 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 388 D C 0.009 176.410 176.300 0.167 0.000 0.990 388 D CA 1.684 55.765 54.000 0.136 0.000 0.839 388 D CB -0.075 40.742 40.800 0.029 0.000 0.948 388 D HN 0.376 nan 8.370 nan 0.000 0.460 389 D N -0.828 119.663 120.400 0.152 0.000 2.593 389 D HA 0.216 4.856 4.640 -0.000 0.000 0.251 389 D C -1.191 175.253 176.300 0.241 0.000 1.140 389 D CA -0.409 53.691 54.000 0.166 0.000 0.855 389 D CB 1.983 42.832 40.800 0.082 0.000 1.267 389 D HN -0.038 nan 8.370 nan 0.000 0.532 390 Y N 0.698 121.074 120.300 0.126 0.000 2.504 390 Y HA 0.312 4.862 4.550 -0.000 0.000 0.344 390 Y C -1.105 174.917 175.900 0.204 0.000 1.023 390 Y CA -0.347 57.819 58.100 0.112 0.000 1.020 390 Y CB 2.212 40.667 38.460 -0.008 0.000 1.282 390 Y HN 0.082 nan 8.280 nan 0.000 0.454 391 T N 5.947 120.216 114.554 -0.474 0.000 2.809 391 T HA 0.264 4.614 4.350 -0.000 0.000 0.284 391 T C -1.983 172.433 174.700 -0.473 0.000 0.992 391 T CA -0.398 61.530 62.100 -0.287 0.000 0.957 391 T CB 0.382 69.143 68.868 -0.179 0.000 0.942 391 T HN 0.449 nan 8.240 nan 0.000 0.439 392 Y N 3.547 123.718 120.300 -0.215 0.000 2.328 392 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 392 Y C -0.154 175.732 175.900 -0.023 0.000 0.966 392 Y CA -1.187 56.873 58.100 -0.067 0.000 1.136 392 Y CB 0.716 39.313 38.460 0.230 0.000 1.170 392 Y HN 0.585 nan 8.280 nan 0.000 0.470 393 N N 6.547 124.908 118.700 -0.565 0.000 2.430 393 N HA 0.311 5.051 4.740 -0.000 0.000 0.265 393 N C -0.936 174.160 175.510 -0.690 0.000 1.100 393 N CA -0.202 52.570 53.050 -0.464 0.000 0.961 393 N CB 0.773 39.085 38.487 -0.292 0.000 1.075 393 N HN 0.543 nan 8.380 nan 0.000 0.478 394 I N 4.471 124.838 120.570 -0.339 0.000 2.452 394 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 394 I C -1.563 174.492 176.117 -0.103 0.000 1.079 394 I CA -1.728 59.477 61.300 -0.158 0.000 1.387 394 I CB 0.384 38.398 38.000 0.023 0.000 1.404 394 I HN 0.330 nan 8.210 nan 0.000 0.522 395 P HA 0.077 nan 4.420 nan 0.000 0.273 395 P C 0.603 177.905 177.300 0.005 0.000 1.250 395 P CA -0.229 62.859 63.100 -0.020 0.000 0.793 395 P CB 0.476 32.193 31.700 0.028 0.000 1.011 396 T N -0.451 114.105 114.554 0.003 0.000 2.881 396 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 396 T C 1.813 176.525 174.700 0.020 0.000 1.068 396 T CA 1.904 64.009 62.100 0.008 0.000 1.131 396 T CB -0.820 68.051 68.868 0.005 0.000 0.871 396 T HN 0.626 nan 8.240 nan 0.000 0.479 397 S N 1.586 117.304 115.700 0.030 0.000 2.440 397 S HA -0.113 4.357 4.470 -0.000 0.000 0.240 397 S C 1.883 176.505 174.600 0.036 0.000 1.014 397 S CA 0.548 58.770 58.200 0.036 0.000 0.980 397 S CB -0.719 62.511 63.200 0.049 0.000 0.775 397 S HN 0.341 nan 8.310 nan 0.000 0.499 398 I N 2.297 122.890 120.570 0.039 0.000 2.530 398 I HA -0.158 4.012 4.170 -0.000 0.000 0.257 398 I C 2.447 178.579 176.117 0.024 0.000 1.179 398 I CA 1.187 62.509 61.300 0.036 0.000 1.440 398 I CB -0.530 37.496 38.000 0.043 0.000 1.087 398 I HN 0.346 nan 8.210 nan 0.000 0.440 399 Q N -0.230 119.583 119.800 0.020 0.000 2.291 399 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 399 Q C 1.380 177.389 176.000 0.015 0.000 0.976 399 Q CA 1.256 57.069 55.803 0.016 0.000 0.875 399 Q CB -0.105 28.641 28.738 0.013 0.000 0.927 399 Q HN 0.593 nan 8.270 nan 0.000 0.450 400 N N 0.359 119.070 118.700 0.018 0.000 2.348 400 N HA 0.031 4.771 4.740 -0.000 0.000 0.183 400 N C -0.320 175.200 175.510 0.016 0.000 1.094 400 N CA 0.532 53.592 53.050 0.017 0.000 0.885 400 N CB 0.518 39.016 38.487 0.019 0.000 1.065 400 N HN 0.348 nan 8.380 nan 0.000 0.472 401 N N -1.142 117.568 118.700 0.017 0.000 3.127 401 N HA 0.436 5.176 4.740 -0.000 0.000 0.239 401 N C -1.423 174.089 175.510 0.002 0.000 1.407 401 N CA -0.821 52.236 53.050 0.011 0.000 0.891 401 N CB 0.859 39.355 38.487 0.015 0.000 1.447 401 N HN -0.041 nan 8.380 nan 0.000 0.507 402 A N -0.404 122.405 122.820 -0.019 0.000 2.448 402 A HA 0.536 4.856 4.320 -0.000 0.000 0.239 402 A C 0.624 178.159 177.584 -0.081 0.000 1.080 402 A CA 0.170 52.173 52.037 -0.056 0.000 0.779 402 A CB -0.659 18.284 19.000 -0.095 0.000 1.026 402 A HN 1.395 nan 8.150 nan 0.000 0.499 403 C N -0.761 118.479 119.300 -0.100 0.000 3.154 403 C HA 0.897 5.357 4.460 -0.000 0.000 0.312 403 C C -1.023 173.880 174.990 -0.145 0.000 1.349 403 C CA -1.248 57.729 59.018 -0.068 0.000 1.518 403 C CB 0.227 28.011 27.740 0.073 0.000 1.934 403 C HN 0.750 nan 8.230 nan 0.000 0.462 404 Y N 0.176 120.562 120.300 0.143 0.000 2.457 404 Y HA 0.669 5.219 4.550 -0.000 0.000 0.333 404 Y C 0.309 176.358 175.900 0.249 0.000 1.119 404 Y CA -0.710 57.516 58.100 0.210 0.000 1.143 404 Y CB 1.761 40.317 38.460 0.159 0.000 1.230 404 Y HN 0.747 nan 8.280 nan 0.000 0.469 405 V N 5.153 125.341 119.914 0.457 0.000 2.443 405 V HA 0.527 4.647 4.120 -0.000 0.000 0.293 405 V C -1.603 174.702 176.094 0.351 0.000 1.021 405 V CA -0.857 61.618 62.300 0.292 0.000 0.848 405 V CB 1.086 32.954 31.823 0.075 0.000 0.998 405 V HN 0.659 nan 8.190 nan 0.000 0.424 406 L N 9.025 130.368 121.223 0.201 0.000 2.305 406 L HA 0.847 5.187 4.340 -0.000 0.000 0.281 406 L C -0.601 176.294 176.870 0.042 0.000 1.085 406 L CA 0.264 55.071 54.840 -0.055 0.000 0.813 406 L CB 0.820 42.758 42.059 -0.203 0.000 1.157 406 L HN 0.784 nan 8.230 nan 0.000 0.436 407 F N 2.935 122.768 119.950 -0.195 0.000 2.779 407 F HA 0.795 5.322 4.527 -0.000 0.000 0.316 407 F C -1.515 174.196 175.800 -0.148 0.000 1.164 407 F CA -1.109 56.765 58.000 -0.209 0.000 0.924 407 F CB 1.245 40.073 39.000 -0.287 0.000 1.348 407 F HN 0.556 nan 8.300 nan 0.000 0.467 408 K N 0.820 121.118 120.400 -0.170 0.000 2.536 408 K HA 0.723 5.043 4.320 -0.000 0.000 0.269 408 K C -1.614 174.941 176.600 -0.075 0.000 0.965 408 K CA -0.958 55.210 56.287 -0.198 0.000 0.860 408 K CB 2.459 34.864 32.500 -0.159 0.000 1.423 408 K HN 1.037 nan 8.250 nan 0.000 0.438 409 V N -0.420 119.436 119.914 -0.097 0.000 2.644 409 V HA 0.263 4.383 4.120 -0.000 0.000 0.295 409 V C 0.748 176.808 176.094 -0.058 0.000 1.053 409 V CA -0.424 61.791 62.300 -0.142 0.000 0.987 409 V CB 1.337 32.996 31.823 -0.275 0.000 1.006 409 V HN 1.032 nan 8.190 nan 0.000 0.472 410 N N 2.363 121.041 118.700 -0.037 0.000 2.171 410 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 410 N C 0.540 176.070 175.510 0.034 0.000 1.021 410 N CA 1.413 54.459 53.050 -0.007 0.000 0.854 410 N CB 0.093 38.574 38.487 -0.009 0.000 0.994 410 N HN 0.934 nan 8.380 nan 0.000 0.426 411 T N -0.209 114.394 114.554 0.082 0.000 2.824 411 T HA 0.275 4.625 4.350 -0.000 0.000 0.282 411 T C -0.727 174.057 174.700 0.140 0.000 0.993 411 T CA -0.684 61.473 62.100 0.095 0.000 0.967 411 T CB 1.640 70.556 68.868 0.080 0.000 0.960 411 T HN -0.100 nan 8.240 nan 0.000 0.441 412 T N 3.016 117.627 114.554 0.096 0.000 2.902 412 T HA 0.542 4.892 4.350 -0.000 0.000 0.301 412 T C 0.689 175.403 174.700 0.024 0.000 1.012 412 T CA 0.255 62.390 62.100 0.058 0.000 1.151 412 T CB 0.298 69.216 68.868 0.084 0.000 0.946 412 T HN 0.985 nan 8.240 nan 0.000 0.542 413 G N 1.344 110.144 108.800 0.001 0.000 2.320 413 G HA2 0.423 4.383 3.960 -0.000 0.000 0.296 413 G HA3 0.423 4.383 3.960 -0.000 0.000 0.296 413 G C -1.468 173.388 174.900 -0.072 0.000 1.306 413 G CA -0.809 44.241 45.100 -0.083 0.000 0.836 413 G HN 0.654 nan 8.290 nan 0.000 0.517 414 V N 0.308 120.114 119.914 -0.181 0.000 2.607 414 V HA 0.609 4.729 4.120 -0.000 0.000 0.289 414 V C -0.842 175.110 176.094 -0.237 0.000 1.053 414 V CA -0.108 62.126 62.300 -0.111 0.000 0.996 414 V CB 0.827 32.587 31.823 -0.105 0.000 0.995 414 V HN 0.572 nan 8.190 nan 0.000 0.476 415 Y N 2.551 122.824 120.300 -0.045 0.000 2.442 415 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 415 Y C 0.108 176.007 175.900 -0.001 0.000 0.976 415 Y CA -0.815 57.283 58.100 -0.003 0.000 1.040 415 Y CB 1.959 40.449 38.460 0.049 0.000 1.228 415 Y HN 0.458 nan 8.280 nan 0.000 0.451 416 K N 4.487 124.955 120.400 0.113 0.000 2.227 416 K HA 0.641 4.961 4.320 -0.000 0.000 0.280 416 K C -1.447 175.164 176.600 0.018 0.000 1.041 416 K CA -0.168 56.151 56.287 0.053 0.000 0.905 416 K CB 0.495 32.964 32.500 -0.052 0.000 1.068 416 K HN 0.697 nan 8.250 nan 0.000 0.470 417 I N 2.718 123.273 120.570 -0.025 0.000 2.533 417 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 417 I C -0.365 175.675 176.117 -0.129 0.000 1.056 417 I CA -0.676 60.495 61.300 -0.214 0.000 1.057 417 I CB 2.357 40.166 38.000 -0.317 0.000 1.240 417 I HN 0.643 nan 8.210 nan 0.000 0.423 418 T N 2.619 117.064 114.554 -0.182 0.000 2.830 418 T HA 0.388 4.738 4.350 -0.000 0.000 0.322 418 T C -0.634 174.010 174.700 -0.093 0.000 1.501 418 T CA -0.472 61.584 62.100 -0.073 0.000 1.036 418 T CB 1.562 70.432 68.868 0.003 0.000 1.379 418 T HN 0.754 nan 8.240 nan 0.000 0.493 419 T N 0.770 115.300 114.554 -0.041 0.000 2.849 419 T HA 0.520 4.870 4.350 -0.000 0.000 0.284 419 T C 0.226 174.914 174.700 -0.019 0.000 1.004 419 T CA -0.758 61.327 62.100 -0.026 0.000 1.021 419 T CB 0.668 69.534 68.868 -0.003 0.000 1.013 419 T HN 0.705 nan 8.240 nan 0.000 0.527 420 K N 1.116 121.505 120.400 -0.018 0.000 2.401 420 K HA 0.044 4.364 4.320 -0.000 0.000 0.278 420 K C 0.348 176.946 176.600 -0.003 0.000 1.018 420 K CA -0.054 56.224 56.287 -0.015 0.000 0.981 420 K CB -0.014 32.476 32.500 -0.018 0.000 0.933 420 K HN 0.754 nan 8.250 nan 0.000 0.477 421 N N 2.674 121.374 118.700 0.000 0.000 2.863 421 N HA -0.250 4.490 4.740 -0.000 0.000 0.245 421 N C -0.901 174.622 175.510 0.022 0.000 1.001 421 N CA 1.139 54.195 53.050 0.011 0.000 0.901 421 N CB -1.200 37.293 38.487 0.011 0.000 1.124 421 N HN 0.884 nan 8.380 nan 0.000 0.582 422 N N -0.909 117.805 118.700 0.024 0.000 2.714 422 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 422 N C -0.618 174.911 175.510 0.031 0.000 1.117 422 N CA 1.279 54.354 53.050 0.041 0.000 0.719 422 N CB -1.261 37.268 38.487 0.070 0.000 1.081 422 N HN 0.560 nan 8.380 nan 0.000 0.557 423 L N 0.064 121.301 121.223 0.024 0.000 2.422 423 L HA 0.534 4.874 4.340 -0.000 0.000 0.264 423 L C -2.081 174.801 176.870 0.021 0.000 0.984 423 L CA -1.510 53.345 54.840 0.025 0.000 0.819 423 L CB 2.927 45.003 42.059 0.028 0.000 1.330 423 L HN -0.215 nan 8.230 nan 0.000 0.410 424 P HA 0.283 nan 4.420 nan 0.000 0.279 424 P C -2.792 174.523 177.300 0.026 0.000 1.282 424 P CA -1.585 61.532 63.100 0.028 0.000 0.788 424 P CB -0.244 31.474 31.700 0.030 0.000 1.139 425 P HA 0.186 nan 4.420 nan 0.000 0.272 425 P C -0.419 176.901 177.300 0.033 0.000 1.223 425 P CA 0.330 63.444 63.100 0.024 0.000 0.784 425 P CB 0.611 32.328 31.700 0.028 0.000 0.923 426 L N 2.015 123.255 121.223 0.029 0.000 2.313 426 L HA 0.593 4.933 4.340 -0.000 0.000 0.268 426 L C 0.448 177.356 176.870 0.063 0.000 1.010 426 L CA -1.132 53.735 54.840 0.045 0.000 0.814 426 L CB 1.223 43.295 42.059 0.022 0.000 1.304 426 L HN 0.240 nan 8.230 nan 0.000 0.441 427 I N 1.756 122.382 120.570 0.093 0.000 2.582 427 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 427 I C -0.976 175.173 176.117 0.054 0.000 1.066 427 I CA -0.415 60.927 61.300 0.069 0.000 1.053 427 I CB 2.746 40.802 38.000 0.093 0.000 1.241 427 I HN 0.428 nan 8.210 nan 0.000 0.421 428 I N 5.583 126.124 120.570 -0.047 0.000 2.509 428 I HA 0.509 4.679 4.170 -0.000 0.000 0.293 428 I C -1.497 174.591 176.117 -0.049 0.000 1.020 428 I CA -0.404 60.943 61.300 0.079 0.000 1.088 428 I CB 1.632 39.710 38.000 0.129 0.000 1.267 428 I HN 0.449 nan 8.210 nan 0.000 0.430 429 Y N 4.135 124.651 120.300 0.361 0.000 2.570 429 Y HA 0.469 5.019 4.550 -0.000 0.000 0.345 429 Y C -0.402 175.687 175.900 0.316 0.000 1.014 429 Y CA -0.841 57.454 58.100 0.325 0.000 1.063 429 Y CB 1.504 40.154 38.460 0.316 0.000 1.272 429 Y HN 0.433 nan 8.280 nan 0.000 0.477 430 E N 1.007 121.421 120.200 0.357 0.000 2.249 430 E HA 0.599 4.949 4.350 -0.000 0.000 0.280 430 E C -0.887 175.749 176.600 0.060 0.000 1.016 430 E CA -0.852 55.581 56.400 0.054 0.000 0.830 430 E CB 1.303 31.002 29.700 -0.002 0.000 1.081 430 E HN 0.678 nan 8.360 nan 0.000 0.395 431 A N 4.291 127.062 122.820 -0.081 0.000 2.404 431 A HA 0.214 4.534 4.320 -0.000 0.000 0.273 431 A C -0.001 177.530 177.584 -0.087 0.000 1.144 431 A CA -0.241 51.782 52.037 -0.024 0.000 0.806 431 A CB -0.199 18.749 19.000 -0.086 0.000 1.080 431 A HN 0.601 nan 8.150 nan 0.000 0.509 432 I N 2.691 123.226 120.570 -0.060 0.000 2.379 432 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 432 I C 1.372 177.440 176.117 -0.082 0.000 1.063 432 I CA 1.126 62.384 61.300 -0.071 0.000 1.351 432 I CB 0.517 38.474 38.000 -0.071 0.000 1.410 432 I HN 0.986 nan 8.210 nan 0.000 0.505 433 G N 3.925 112.676 108.800 -0.083 0.000 2.159 433 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.227 433 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.227 433 G C 0.957 175.804 174.900 -0.088 0.000 0.986 433 G CA 0.419 45.472 45.100 -0.077 0.000 0.651 433 G HN 0.682 nan 8.290 nan 0.000 0.523 434 S N -0.368 115.264 115.700 -0.114 0.000 2.428 434 S HA 0.319 4.789 4.470 -0.000 0.000 0.230 434 S C 1.410 175.939 174.600 -0.119 0.000 1.014 434 S CA 1.250 59.373 58.200 -0.128 0.000 0.957 434 S CB 0.091 63.182 63.200 -0.182 0.000 0.784 434 S HN 0.741 nan 8.310 nan 0.000 0.499 435 S N 2.400 118.031 115.700 -0.116 0.000 2.580 435 S HA 0.291 4.761 4.470 -0.000 0.000 0.266 435 S C 0.604 175.159 174.600 -0.075 0.000 1.354 435 S CA -0.251 57.891 58.200 -0.097 0.000 1.008 435 S CB -0.165 62.975 63.200 -0.100 0.000 0.898 435 S HN 0.807 nan 8.310 nan 0.000 0.555 436 N N 0.500 119.162 118.700 -0.063 0.000 2.615 436 N HA -0.235 4.505 4.740 -0.000 0.000 0.167 436 N C -0.262 175.216 175.510 -0.053 0.000 0.858 436 N CA 0.589 53.609 53.050 -0.050 0.000 0.890 436 N CB -0.459 38.001 38.487 -0.046 0.000 0.837 436 N HN 0.797 nan 8.380 nan 0.000 0.671 437 R N -0.640 119.833 120.500 -0.046 0.000 3.953 437 R HA -0.179 4.161 4.340 -0.000 0.000 0.437 437 R C -0.747 175.527 176.300 -0.044 0.000 0.241 437 R CA 0.858 56.931 56.100 -0.046 0.000 1.386 437 R CB -1.224 29.043 30.300 -0.054 0.000 1.086 437 R HN 0.942 nan 8.270 nan 0.000 0.523 438 N N 1.759 120.432 118.700 -0.045 0.000 2.454 438 N HA 0.217 4.957 4.740 -0.000 0.000 0.254 438 N C -0.000 175.482 175.510 -0.045 0.000 1.228 438 N CA 0.237 53.262 53.050 -0.041 0.000 0.900 438 N CB 0.756 39.220 38.487 -0.039 0.000 1.089 438 N HN 0.507 nan 8.380 nan 0.000 0.449 439 M N 1.114 120.691 119.600 -0.039 0.000 2.470 439 M HA 0.351 4.831 4.480 -0.000 0.000 0.285 439 M C -2.069 174.211 176.300 -0.033 0.000 1.213 439 M CA -0.602 54.674 55.300 -0.039 0.000 0.901 439 M CB 2.182 34.761 32.600 -0.034 0.000 1.718 439 M HN 0.697 nan 8.290 nan 0.000 0.469 440 N N 1.051 119.730 118.700 -0.035 0.000 2.249 440 N HA 0.402 5.142 4.740 -0.000 0.000 0.296 440 N C -0.130 175.363 175.510 -0.029 0.000 1.051 440 N CA -0.165 52.868 53.050 -0.029 0.000 0.815 440 N CB 2.283 40.752 38.487 -0.029 0.000 1.487 440 N HN 0.734 nan 8.380 nan 0.000 0.475 441 S N 1.625 117.312 115.700 -0.023 0.000 2.359 441 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 441 S C 0.844 175.429 174.600 -0.025 0.000 1.035 441 S CA 1.131 59.319 58.200 -0.021 0.000 1.018 441 S CB -0.079 63.112 63.200 -0.015 0.000 0.876 441 S HN 0.634 nan 8.310 nan 0.000 0.448 442 N N 1.533 120.218 118.700 -0.025 0.000 2.273 442 N HA 0.246 4.986 4.740 -0.000 0.000 0.231 442 N C -0.617 174.872 175.510 -0.034 0.000 1.134 442 N CA 0.056 53.089 53.050 -0.028 0.000 0.856 442 N CB 0.240 38.716 38.487 -0.019 0.000 1.068 442 N HN 0.293 nan 8.380 nan 0.000 0.510 443 N N 0.393 119.069 118.700 -0.039 0.000 2.367 443 N HA 0.240 4.980 4.740 -0.000 0.000 0.278 443 N C -1.637 173.841 175.510 -0.054 0.000 1.117 443 N CA -0.610 52.414 53.050 -0.043 0.000 0.867 443 N CB 1.878 40.346 38.487 -0.032 0.000 1.649 443 N HN 0.003 nan 8.380 nan 0.000 0.479 444 L N 2.215 123.400 121.223 -0.064 0.000 2.360 444 L HA 0.521 4.861 4.340 -0.000 0.000 0.276 444 L C -0.607 176.221 176.870 -0.070 0.000 1.121 444 L CA -0.067 54.725 54.840 -0.080 0.000 0.845 444 L CB 0.572 42.573 42.059 -0.096 0.000 1.143 444 L HN 0.554 nan 8.230 nan 0.000 0.452 445 S N 4.224 119.878 115.700 -0.075 0.000 2.409 445 S HA 0.195 4.665 4.470 -0.000 0.000 0.308 445 S C -0.168 174.387 174.600 -0.076 0.000 1.080 445 S CA -0.550 57.611 58.200 -0.065 0.000 1.081 445 S CB 0.150 63.314 63.200 -0.060 0.000 1.009 445 S HN 0.660 nan 8.310 nan 0.000 0.502 446 N N 2.906 121.568 118.700 -0.063 0.000 2.411 446 N HA 0.132 4.872 4.740 -0.000 0.000 0.259 446 N C -0.323 175.158 175.510 -0.050 0.000 1.103 446 N CA -0.553 52.460 53.050 -0.062 0.000 0.954 446 N CB 0.713 39.175 38.487 -0.040 0.000 1.085 446 N HN 0.525 nan 8.380 nan 0.000 0.485 447 D N 1.395 121.761 120.400 -0.056 0.000 2.462 447 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 447 D C -0.434 175.841 176.300 -0.041 0.000 1.173 447 D CA -0.383 53.588 54.000 -0.049 0.000 0.831 447 D CB -0.433 40.333 40.800 -0.057 0.000 1.001 447 D HN 0.372 nan 8.370 nan 0.000 0.499 448 N N 0.524 119.206 118.700 -0.029 0.000 2.735 448 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 448 N C -0.713 174.777 175.510 -0.034 0.000 1.083 448 N CA 0.402 53.439 53.050 -0.021 0.000 0.703 448 N CB -1.338 37.131 38.487 -0.030 0.000 1.005 448 N HN 0.505 nan 8.380 nan 0.000 0.550 449 I N 1.017 121.575 120.570 -0.021 0.000 2.363 449 I HA 0.010 4.180 4.170 -0.000 0.000 0.292 449 I C 1.515 177.605 176.117 -0.045 0.000 1.075 449 I CA -0.031 61.245 61.300 -0.040 0.000 1.333 449 I CB 0.695 38.670 38.000 -0.041 0.000 1.415 449 I HN -0.145 nan 8.210 nan 0.000 0.502 450 K N 4.972 125.291 120.400 -0.136 0.000 2.374 450 K HA 0.244 4.564 4.320 -0.000 0.000 0.196 450 K C 0.516 176.939 176.600 -0.296 0.000 1.023 450 K CA 0.031 56.167 56.287 -0.250 0.000 1.103 450 K CB 0.493 32.848 32.500 -0.242 0.000 0.848 450 K HN 0.608 nan 8.250 nan 0.000 0.528 451 A N 2.584 125.271 122.820 -0.222 0.000 2.354 451 A HA 0.471 4.791 4.320 -0.000 0.000 0.281 451 A C 0.255 177.733 177.584 -0.178 0.000 1.174 451 A CA -0.499 51.399 52.037 -0.232 0.000 0.828 451 A CB -0.416 18.449 19.000 -0.224 0.000 1.099 451 A HN 0.355 nan 8.150 nan 0.000 0.516 452 I N -0.198 120.253 120.570 -0.197 0.000 2.545 452 I HA 0.593 4.763 4.170 -0.000 0.000 0.292 452 I C -0.470 175.695 176.117 0.080 0.000 1.040 452 I CA -0.929 60.312 61.300 -0.097 0.000 1.068 452 I CB 2.096 39.877 38.000 -0.365 0.000 1.251 452 I HN 0.539 nan 8.210 nan 0.000 0.424 453 K N 5.324 125.852 120.400 0.213 0.000 2.240 453 K HA 0.273 4.593 4.320 -0.000 0.000 0.271 453 K C -1.252 175.639 176.600 0.484 0.000 1.018 453 K CA -0.641 55.825 56.287 0.299 0.000 0.874 453 K CB 1.101 33.709 32.500 0.180 0.000 1.098 453 K HN 0.694 nan 8.250 nan 0.000 0.458 454 Y N 5.634 126.207 120.300 0.454 0.000 2.544 454 Y HA 0.007 4.557 4.550 0.000 0.000 0.330 454 Y C 0.426 176.438 175.900 0.186 0.000 1.136 454 Y CA 0.349 58.645 58.100 0.327 0.000 1.417 454 Y CB 0.358 39.087 38.460 0.450 0.000 1.229 454 Y HN 0.627 nan 8.280 nan 0.000 0.532 455 I N 2.649 122.917 120.570 -0.504 0.000 3.098 455 I HA 0.115 4.285 4.170 -0.000 0.000 0.241 455 I C 0.633 176.248 176.117 -0.836 0.000 1.081 455 I CA 0.540 61.568 61.300 -0.454 0.000 1.487 455 I CB 0.258 38.182 38.000 -0.126 0.000 1.366 455 I HN 0.600 nan 8.210 nan 0.000 0.463 456 T N -0.935 113.149 114.554 -0.783 0.000 2.786 456 T HA 0.612 4.962 4.350 -0.000 0.000 0.316 456 T C -1.089 173.530 174.700 -0.135 0.000 1.503 456 T CA 0.111 61.901 62.100 -0.516 0.000 1.019 456 T CB 1.649 70.384 68.868 -0.222 0.000 1.415 456 T HN 0.722 nan 8.240 nan 0.000 0.496 457 G N 0.679 109.533 108.800 0.089 0.000 2.355 457 G HA2 0.427 4.387 3.960 -0.000 0.000 0.619 457 G HA3 0.427 4.387 3.960 -0.000 0.000 0.619 457 G C -1.739 173.276 174.900 0.193 0.000 1.337 457 G CA -0.222 44.953 45.100 0.125 0.000 0.993 457 G HN 1.581 nan 8.290 nan 0.000 0.599 458 L N -3.285 118.004 121.223 0.110 0.000 2.630 458 L HA 0.799 5.139 4.340 -0.000 0.000 0.258 458 L C 0.273 177.194 176.870 0.085 0.000 1.072 458 L CA -1.140 53.755 54.840 0.091 0.000 0.885 458 L CB 1.292 43.383 42.059 0.053 0.000 1.502 458 L HN 0.484 nan 8.230 nan 0.000 0.406 459 N N -1.098 117.655 118.700 0.089 0.000 2.415 459 N HA 0.161 4.901 4.740 -0.000 0.000 0.174 459 N C 0.122 175.673 175.510 0.069 0.000 1.048 459 N CA -0.369 52.730 53.050 0.082 0.000 0.895 459 N CB 0.235 38.775 38.487 0.088 0.000 1.036 459 N HN 0.432 nan 8.380 nan 0.000 0.449 460 R N 1.931 122.475 120.500 0.074 0.000 2.549 460 R HA -0.069 4.271 4.340 -0.000 0.000 0.336 460 R C 0.853 177.191 176.300 0.062 0.000 0.891 460 R CA 0.201 56.344 56.100 0.072 0.000 1.102 460 R CB 0.201 30.550 30.300 0.082 0.000 0.899 460 R HN 0.302 nan 8.270 nan 0.000 0.407 461 S N 2.231 117.964 115.700 0.055 0.000 2.442 461 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 461 S C 1.048 175.679 174.600 0.052 0.000 1.007 461 S CA 1.250 59.479 58.200 0.048 0.000 0.965 461 S CB -0.016 63.208 63.200 0.041 0.000 0.773 461 S HN 0.840 nan 8.310 nan 0.000 0.504 462 D N 1.483 121.921 120.400 0.064 0.000 2.349 462 D HA 0.255 4.895 4.640 -0.000 0.000 0.214 462 D C 0.550 176.901 176.300 0.084 0.000 1.063 462 D CA 0.213 54.257 54.000 0.074 0.000 0.847 462 D CB -0.257 40.593 40.800 0.084 0.000 0.933 462 D HN 0.452 nan 8.370 nan 0.000 0.513 463 A N 1.672 124.535 122.820 0.072 0.000 2.981 463 A HA 0.190 4.510 4.320 -0.000 0.000 0.280 463 A C 0.620 178.221 177.584 0.029 0.000 1.743 463 A CA -0.661 51.412 52.037 0.060 0.000 1.430 463 A CB -0.809 18.218 19.000 0.045 0.000 1.085 463 A HN 0.333 nan 8.150 nan 0.000 0.597 464 K N 1.201 121.623 120.400 0.037 0.000 2.416 464 K HA 0.413 4.733 4.320 -0.000 0.000 0.283 464 K C -0.225 176.366 176.600 -0.016 0.000 1.037 464 K CA 0.567 56.867 56.287 0.022 0.000 0.995 464 K CB 0.299 32.822 32.500 0.038 0.000 0.938 464 K HN 0.618 nan 8.250 nan 0.000 0.475 465 S N 1.865 117.555 115.700 -0.017 0.000 2.615 465 S HA 0.478 4.948 4.470 -0.000 0.000 0.268 465 S C -1.341 173.258 174.600 -0.002 0.000 1.146 465 S CA -1.074 57.068 58.200 -0.096 0.000 0.818 465 S CB 0.344 63.455 63.200 -0.148 0.000 1.111 465 S HN 0.812 nan 8.310 nan 0.000 0.465 466 Y N -0.841 119.410 120.300 -0.082 0.000 2.669 466 Y HA 0.885 5.435 4.550 0.000 0.000 0.335 466 Y C -1.577 174.271 175.900 -0.088 0.000 1.116 466 Y CA -1.699 56.350 58.100 -0.083 0.000 1.081 466 Y CB 0.886 39.297 38.460 -0.082 0.000 1.297 466 Y HN 0.719 nan 8.280 nan 0.000 0.484 467 L N 2.975 124.280 121.223 0.137 0.000 2.362 467 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 467 L C -1.118 175.825 176.870 0.121 0.000 0.998 467 L CA -0.979 53.883 54.840 0.037 0.000 0.820 467 L CB 1.967 44.026 42.059 -0.000 0.000 1.270 467 L HN 0.522 nan 8.230 nan 0.000 0.415 468 I N 4.637 125.246 120.570 0.065 0.000 2.354 468 I HA 0.431 4.601 4.170 -0.000 0.000 0.286 468 I C -0.148 175.988 176.117 0.033 0.000 1.007 468 I CA -0.517 60.824 61.300 0.068 0.000 1.167 468 I CB 1.635 39.664 38.000 0.048 0.000 1.320 468 I HN 0.287 nan 8.210 nan 0.000 0.458 469 V N 2.660 122.600 119.914 0.043 0.000 2.760 469 V HA 0.572 4.691 4.120 -0.000 0.000 0.309 469 V C -0.096 176.004 176.094 0.010 0.000 1.077 469 V CA -0.724 61.587 62.300 0.019 0.000 0.910 469 V CB 1.833 33.653 31.823 -0.006 0.000 1.008 469 V HN 0.663 nan 8.190 nan 0.000 0.424 470 S N 4.286 119.972 115.700 -0.023 0.000 2.474 470 S HA 0.719 5.189 4.470 -0.000 0.000 0.276 470 S C -0.511 173.949 174.600 -0.233 0.000 1.227 470 S CA -0.394 57.730 58.200 -0.128 0.000 1.050 470 S CB -0.413 62.727 63.200 -0.100 0.000 0.939 470 S HN 0.646 nan 8.310 nan 0.000 0.490 471 L N 4.948 125.975 121.223 -0.326 0.000 2.362 471 L HA 0.651 4.991 4.340 -0.000 0.000 0.271 471 L C -1.120 175.522 176.870 -0.380 0.000 1.002 471 L CA -0.800 53.837 54.840 -0.339 0.000 0.818 471 L CB 1.606 43.396 42.059 -0.448 0.000 1.298 471 L HN 0.545 nan 8.230 nan 0.000 0.420 472 F N 0.798 120.877 119.950 0.215 0.000 2.508 472 F HA 0.376 4.903 4.527 -0.000 0.000 0.325 472 F C 1.164 177.034 175.800 0.118 0.000 1.090 472 F CA -0.739 57.351 58.000 0.150 0.000 0.945 472 F CB 1.861 40.932 39.000 0.117 0.000 1.156 472 F HN 0.436 nan 8.300 nan 0.000 0.463 473 K N 1.037 121.577 120.400 0.233 0.000 2.063 473 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 473 K C 1.462 178.105 176.600 0.072 0.000 1.048 473 K CA 2.114 58.470 56.287 0.115 0.000 0.928 473 K CB -0.099 32.454 32.500 0.088 0.000 0.713 473 K HN 0.824 nan 8.250 nan 0.000 0.442 474 D N 0.167 120.615 120.400 0.081 0.000 2.347 474 D HA -0.084 4.556 4.640 -0.000 0.000 0.215 474 D C 0.045 176.312 176.300 -0.054 0.000 0.976 474 D CA 0.719 54.721 54.000 0.004 0.000 0.884 474 D CB 0.080 40.876 40.800 -0.008 0.000 0.915 474 D HN 0.110 nan 8.370 nan 0.000 0.526 475 K N 0.071 120.438 120.400 -0.054 0.000 2.095 475 K HA 0.339 4.659 4.320 -0.000 0.000 0.252 475 K C -0.336 176.040 176.600 -0.374 0.000 0.977 475 K CA -0.803 55.333 56.287 -0.251 0.000 0.900 475 K CB 0.930 33.207 32.500 -0.373 0.000 1.060 475 K HN -0.119 nan 8.250 nan 0.000 0.449 476 N N 0.884 119.269 118.700 -0.526 0.000 2.361 476 N HA 0.360 5.100 4.740 -0.000 0.000 0.302 476 N C -1.374 173.650 175.510 -0.810 0.000 1.074 476 N CA -0.369 52.347 53.050 -0.556 0.000 0.850 476 N CB 0.931 39.166 38.487 -0.421 0.000 1.228 476 N HN 0.356 nan 8.380 nan 0.000 0.491 477 Y N 0.454 120.365 120.300 -0.648 0.000 2.570 477 Y HA 0.487 5.037 4.550 -0.000 0.000 0.345 477 Y C -0.754 174.859 175.900 -0.479 0.000 1.014 477 Y CA -0.721 57.058 58.100 -0.535 0.000 1.063 477 Y CB 1.448 39.465 38.460 -0.738 0.000 1.272 477 Y HN 0.374 nan 8.280 nan 0.000 0.477 478 Y N 1.547 122.001 120.300 0.256 0.000 2.391 478 Y HA 0.586 5.136 4.550 0.000 0.000 0.341 478 Y C -0.651 175.593 175.900 0.574 0.000 0.965 478 Y CA -0.921 57.407 58.100 0.380 0.000 1.067 478 Y CB 1.595 40.215 38.460 0.267 0.000 1.199 478 Y HN 0.341 nan 8.280 nan 0.000 0.450 479 I N 3.849 124.849 120.570 0.716 0.000 2.378 479 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 479 I C -0.229 176.181 176.117 0.488 0.000 0.992 479 I CA -0.776 60.846 61.300 0.536 0.000 1.154 479 I CB 1.358 39.577 38.000 0.366 0.000 1.315 479 I HN 0.465 nan 8.210 nan 0.000 0.448 480 R N 7.509 128.273 120.500 0.440 0.000 2.202 480 R HA 0.515 4.855 4.340 -0.000 0.000 0.334 480 R C -1.031 175.332 176.300 0.106 0.000 1.036 480 R CA -0.481 55.738 56.100 0.199 0.000 0.878 480 R CB 0.568 30.993 30.300 0.208 0.000 1.067 480 R HN 0.584 nan 8.270 nan 0.000 0.457 481 I N 8.027 128.629 120.570 0.054 0.000 2.315 481 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 481 I C -1.747 174.375 176.117 0.008 0.000 1.006 481 I CA -2.392 58.940 61.300 0.053 0.000 1.265 481 I CB 1.603 39.655 38.000 0.087 0.000 1.387 481 I HN 0.458 nan 8.210 nan 0.000 0.475 482 P HA -0.020 nan 4.420 nan 0.000 0.273 482 P C -0.792 176.514 177.300 0.010 0.000 1.250 482 P CA -0.502 62.602 63.100 0.006 0.000 0.793 482 P CB 0.543 32.257 31.700 0.022 0.000 1.011 483 Q N 0.684 120.488 119.800 0.007 0.000 2.300 483 Q HA 0.184 4.524 4.340 -0.000 0.000 0.280 483 Q C -0.426 175.584 176.000 0.017 0.000 1.033 483 Q CA -0.031 55.779 55.803 0.012 0.000 0.903 483 Q CB -0.320 28.424 28.738 0.010 0.000 1.195 483 Q HN 0.370 nan 8.270 nan 0.000 0.386 484 I N 1.658 122.239 120.570 0.018 0.000 2.411 484 I HA 0.300 4.470 4.170 -0.000 0.000 0.284 484 I C 0.430 176.556 176.117 0.014 0.000 1.012 484 I CA -0.149 61.161 61.300 0.018 0.000 1.119 484 I CB 1.823 39.835 38.000 0.019 0.000 1.261 484 I HN 0.560 nan 8.210 nan 0.000 0.448 485 S N 2.887 118.595 115.700 0.013 0.000 2.522 485 S HA -0.002 4.468 4.470 -0.000 0.000 0.227 485 S C 1.100 175.705 174.600 0.009 0.000 0.986 485 S CA 0.424 58.631 58.200 0.011 0.000 0.929 485 S CB -0.523 62.684 63.200 0.011 0.000 0.769 485 S HN 0.889 nan 8.310 nan 0.000 0.529 486 S N 1.951 117.657 115.700 0.009 0.000 2.558 486 S HA 0.092 4.562 4.470 -0.000 0.000 0.287 486 S C 1.231 175.833 174.600 0.005 0.000 1.321 486 S CA 0.159 58.363 58.200 0.007 0.000 1.048 486 S CB 0.558 63.762 63.200 0.007 0.000 0.844 486 S HN 0.641 nan 8.310 nan 0.000 0.512 487 S N 2.161 117.862 115.700 0.003 0.000 2.548 487 S HA 0.124 4.594 4.470 -0.000 0.000 0.215 487 S C 0.679 175.277 174.600 -0.003 0.000 0.976 487 S CA 0.157 58.357 58.200 0.000 0.000 0.908 487 S CB -0.702 62.498 63.200 0.001 0.000 0.781 487 S HN 0.934 nan 8.310 nan 0.000 0.519 488 T N 0.714 115.266 114.554 -0.004 0.000 2.889 488 T HA 0.420 4.770 4.350 -0.000 0.000 0.291 488 T C -0.042 174.651 174.700 -0.012 0.000 0.995 488 T CA -0.466 61.629 62.100 -0.008 0.000 1.092 488 T CB 1.223 70.087 68.868 -0.007 0.000 0.954 488 T HN 0.104 nan 8.240 nan 0.000 0.506 489 T N 2.710 117.252 114.554 -0.020 0.000 2.799 489 T HA 0.312 4.662 4.350 -0.000 0.000 0.296 489 T C 0.256 174.938 174.700 -0.030 0.000 0.947 489 T CA -0.440 61.642 62.100 -0.030 0.000 1.141 489 T CB -0.405 68.436 68.868 -0.044 0.000 0.891 489 T HN 0.713 nan 8.240 nan 0.000 0.533 490 S N 4.314 119.999 115.700 -0.025 0.000 2.672 490 S HA 0.490 4.960 4.470 -0.000 0.000 0.276 490 S C -0.260 174.322 174.600 -0.028 0.000 1.207 490 S CA -0.888 57.302 58.200 -0.017 0.000 1.002 490 S CB 1.255 64.456 63.200 0.002 0.000 0.998 490 S HN 0.810 nan 8.310 nan 0.000 0.542 491 Q N 0.334 120.125 119.800 -0.016 0.000 2.423 491 Q HA 0.532 4.872 4.340 -0.000 0.000 0.278 491 Q C -1.480 174.534 176.000 0.023 0.000 1.097 491 Q CA -0.581 55.215 55.803 -0.013 0.000 0.809 491 Q CB 2.123 30.839 28.738 -0.037 0.000 1.391 491 Q HN 0.474 nan 8.270 nan 0.000 0.428 492 L N 2.837 124.114 121.223 0.090 0.000 2.287 492 L HA 0.535 4.875 4.340 -0.000 0.000 0.287 492 L C -0.950 175.912 176.870 -0.014 0.000 1.022 492 L CA -0.492 54.362 54.840 0.024 0.000 0.814 492 L CB 0.955 43.096 42.059 0.137 0.000 1.217 492 L HN 0.473 nan 8.230 nan 0.000 0.420 493 I N 3.678 124.154 120.570 -0.157 0.000 2.362 493 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 493 I C -0.725 175.272 176.117 -0.200 0.000 0.994 493 I CA -0.291 60.963 61.300 -0.076 0.000 1.158 493 I CB 1.249 39.215 38.000 -0.057 0.000 1.315 493 I HN 0.328 nan 8.210 nan 0.000 0.451 494 F N 5.254 125.226 119.950 0.036 0.000 2.443 494 F HA 0.554 5.081 4.527 -0.000 0.000 0.335 494 F C 0.229 176.095 175.800 0.109 0.000 1.104 494 F CA -0.663 57.377 58.000 0.068 0.000 1.013 494 F CB 1.606 40.637 39.000 0.052 0.000 1.136 494 F HN 0.294 nan 8.300 nan 0.000 0.470 495 K N 2.968 123.541 120.400 0.288 0.000 2.652 495 K HA 0.378 4.698 4.320 -0.000 0.000 0.249 495 K C -0.903 175.710 176.600 0.022 0.000 0.986 495 K CA -0.913 55.454 56.287 0.133 0.000 0.867 495 K CB 1.137 33.647 32.500 0.017 0.000 1.201 495 K HN 0.621 nan 8.250 nan 0.000 0.450 496 R N 2.502 122.918 120.500 -0.139 0.000 2.585 496 R HA 0.027 4.367 4.340 -0.000 0.000 0.275 496 R C -0.758 175.331 176.300 -0.351 0.000 1.018 496 R CA 0.712 56.450 56.100 -0.603 0.000 1.072 496 R CB 0.589 30.589 30.300 -0.499 0.000 0.953 496 R HN 0.443 nan 8.270 nan 0.000 0.419 497 E N 5.397 125.379 120.200 -0.363 0.000 2.182 497 E HA 0.207 4.557 4.350 -0.000 0.000 0.258 497 E C -0.594 175.890 176.600 -0.194 0.000 0.879 497 E CA -0.527 55.744 56.400 -0.215 0.000 0.754 497 E CB 1.319 30.940 29.700 -0.132 0.000 1.162 497 E HN 0.524 nan 8.360 nan 0.000 0.419 498 L N 1.079 122.204 121.223 -0.165 0.000 2.421 498 L HA 0.700 5.040 4.340 -0.000 0.000 0.263 498 L C 1.020 177.830 176.870 -0.099 0.000 1.122 498 L CA -0.148 54.616 54.840 -0.126 0.000 0.804 498 L CB 0.817 42.808 42.059 -0.114 0.000 1.150 498 L HN 0.736 nan 8.230 nan 0.000 0.457 499 G N 1.471 110.225 108.800 -0.078 0.000 2.655 499 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.680 499 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.680 499 G C 0.062 174.924 174.900 -0.062 0.000 1.302 499 G CA -0.064 44.999 45.100 -0.061 0.000 0.872 499 G HN 0.897 nan 8.290 nan 0.000 0.540 500 N N -0.281 118.383 118.700 -0.060 0.000 2.515 500 N HA 0.078 4.818 4.740 -0.000 0.000 0.191 500 N C 1.844 177.273 175.510 -0.135 0.000 1.182 500 N CA 0.902 53.905 53.050 -0.078 0.000 0.879 500 N CB 0.059 38.510 38.487 -0.059 0.000 0.984 500 N HN 0.729 nan 8.380 nan 0.000 0.453 501 I N 1.366 121.865 120.570 -0.118 0.000 2.530 501 I HA -0.234 3.936 4.170 -0.000 0.000 0.257 501 I C 1.856 177.893 176.117 -0.133 0.000 1.179 501 I CA 0.734 61.949 61.300 -0.141 0.000 1.440 501 I CB -0.570 37.397 38.000 -0.054 0.000 1.087 501 I HN 0.332 nan 8.210 nan 0.000 0.440 502 S N -0.493 115.148 115.700 -0.098 0.000 2.440 502 S HA -0.237 4.233 4.470 -0.000 0.000 0.240 502 S C 1.738 176.299 174.600 -0.065 0.000 1.014 502 S CA 1.352 59.512 58.200 -0.067 0.000 0.980 502 S CB -0.745 62.426 63.200 -0.048 0.000 0.775 502 S HN 0.482 nan 8.310 nan 0.000 0.499 503 D N 1.637 121.962 120.400 -0.126 0.000 2.190 503 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 503 D C 1.352 177.529 176.300 -0.205 0.000 0.992 503 D CA 0.752 54.666 54.000 -0.143 0.000 0.854 503 D CB -0.349 40.302 40.800 -0.248 0.000 0.936 503 D HN 0.346 nan 8.370 nan 0.000 0.462 504 L N 0.658 121.742 121.223 -0.232 0.000 2.610 504 L HA 0.156 4.496 4.340 -0.000 0.000 0.232 504 L C 0.765 177.644 176.870 0.015 0.000 1.149 504 L CA -0.269 54.438 54.840 -0.221 0.000 0.872 504 L CB -1.357 40.581 42.059 -0.201 0.000 0.992 504 L HN -0.135 nan 8.230 nan 0.000 0.447 505 A N 0.870 123.739 122.820 0.081 0.000 2.440 505 A HA -0.081 4.239 4.320 -0.000 0.000 0.298 505 A C 0.115 177.807 177.584 0.179 0.000 0.963 505 A CA 0.414 52.531 52.037 0.132 0.000 1.152 505 A CB -1.178 17.909 19.000 0.144 0.000 0.779 505 A HN 0.557 nan 8.150 nan 0.000 0.422 506 D N -0.006 120.446 120.400 0.087 0.000 4.353 506 D HA -0.034 4.606 4.640 -0.000 0.000 0.242 506 D C -0.206 176.133 176.300 0.066 0.000 1.063 506 D CA 1.892 55.915 54.000 0.039 0.000 1.224 506 D CB -1.159 39.642 40.800 0.001 0.000 0.831 506 D HN 0.945 nan 8.370 nan 0.000 0.405 507 S N -0.065 115.642 115.700 0.012 0.000 2.552 507 S HA 0.637 5.107 4.470 -0.000 0.000 0.272 507 S C -0.842 173.689 174.600 -0.116 0.000 1.150 507 S CA -0.636 57.547 58.200 -0.028 0.000 0.849 507 S CB 1.540 64.734 63.200 -0.011 0.000 1.113 507 S HN 0.172 nan 8.310 nan 0.000 0.458 508 T N 2.658 117.113 114.554 -0.164 0.000 2.817 508 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 508 T C -0.429 174.037 174.700 -0.389 0.000 0.964 508 T CA -0.360 61.598 62.100 -0.236 0.000 1.085 508 T CB 0.955 69.713 68.868 -0.183 0.000 0.921 508 T HN 0.443 nan 8.240 nan 0.000 0.502 509 V N 5.299 124.874 119.914 -0.565 0.000 2.318 509 V HA 0.233 4.353 4.120 -0.000 0.000 0.271 509 V C 0.400 176.110 176.094 -0.640 0.000 1.030 509 V CA -1.038 60.820 62.300 -0.736 0.000 0.844 509 V CB 0.357 31.450 31.823 -1.216 0.000 1.015 509 V HN 0.782 nan 8.190 nan 0.000 0.460 510 N N 5.210 123.605 118.700 -0.507 0.000 2.430 510 N HA 0.356 5.096 4.740 -0.000 0.000 0.265 510 N C -0.353 175.024 175.510 -0.221 0.000 1.100 510 N CA -0.127 52.733 53.050 -0.316 0.000 0.961 510 N CB 1.868 40.195 38.487 -0.266 0.000 1.075 510 N HN 0.544 nan 8.380 nan 0.000 0.478 511 I N 3.589 124.071 120.570 -0.145 0.000 2.352 511 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 511 I C 0.327 176.391 176.117 -0.088 0.000 1.036 511 I CA -0.329 60.922 61.300 -0.082 0.000 1.336 511 I CB 0.569 38.563 38.000 -0.010 0.000 1.407 511 I HN 0.212 nan 8.210 nan 0.000 0.497 512 L N 6.607 127.752 121.223 -0.129 0.000 2.289 512 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 512 L C -0.387 176.473 176.870 -0.017 0.000 1.049 512 L CA -0.391 54.328 54.840 -0.201 0.000 0.804 512 L CB 0.857 42.707 42.059 -0.349 0.000 1.195 512 L HN 0.539 nan 8.230 nan 0.000 0.428 513 D N 0.984 121.447 120.400 0.104 0.000 2.585 513 D HA 0.187 4.827 4.640 -0.000 0.000 0.254 513 D C -0.071 176.319 176.300 0.149 0.000 1.067 513 D CA -0.300 53.767 54.000 0.110 0.000 1.090 513 D CB 1.239 42.100 40.800 0.103 0.000 1.408 513 D HN 0.595 nan 8.370 nan 0.000 0.554 514 N N -0.476 118.286 118.700 0.104 0.000 2.701 514 N HA -0.243 4.497 4.740 -0.000 0.000 0.252 514 N C -0.272 175.299 175.510 0.100 0.000 1.002 514 N CA 0.606 53.715 53.050 0.099 0.000 0.758 514 N CB -2.036 36.510 38.487 0.098 0.000 0.937 514 N HN 0.251 nan 8.380 nan 0.000 0.538 515 L N -5.155 116.082 121.223 0.022 0.000 3.036 515 L HA 0.527 4.867 4.340 -0.000 0.000 0.237 515 L C 1.257 178.119 176.870 -0.012 0.000 1.319 515 L CA -0.426 54.309 54.840 -0.175 0.000 1.112 515 L CB -0.417 41.402 42.059 -0.400 0.000 1.480 515 L HN 0.137 nan 8.230 nan 0.000 0.506 516 N N 0.051 118.788 118.700 0.061 0.000 2.250 516 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 516 N C 0.993 176.539 175.510 0.060 0.000 1.017 516 N CA 0.969 54.056 53.050 0.062 0.000 0.866 516 N CB 0.190 38.709 38.487 0.053 0.000 0.985 516 N HN 0.532 nan 8.380 nan 0.000 0.429 517 T N -0.513 114.102 114.554 0.102 0.000 2.855 517 T HA 0.194 4.544 4.350 -0.000 0.000 0.314 517 T C 0.214 174.970 174.700 0.094 0.000 1.077 517 T CA -0.188 61.957 62.100 0.076 0.000 1.095 517 T CB 0.131 69.033 68.868 0.056 0.000 0.987 517 T HN 0.357 nan 8.240 nan 0.000 0.546 518 S N 1.884 117.549 115.700 -0.058 0.000 2.651 518 S HA 0.808 5.278 4.470 -0.000 0.000 0.291 518 S C 0.757 175.143 174.600 -0.357 0.000 1.141 518 S CA 0.042 58.141 58.200 -0.167 0.000 1.027 518 S CB 1.049 64.126 63.200 -0.204 0.000 1.043 518 S HN 1.755 nan 8.310 nan 0.000 0.530 519 G N 0.886 109.307 108.800 -0.632 0.000 2.496 519 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.243 519 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.243 519 G C -0.050 174.226 174.900 -1.041 0.000 1.176 519 G CA -0.251 44.197 45.100 -1.088 0.000 0.940 519 G HN 1.208 nan 8.290 nan 0.000 0.573 520 T N 1.607 115.708 114.554 -0.755 0.000 2.902 520 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 520 T C -0.197 173.915 174.700 -0.979 0.000 1.012 520 T CA 1.116 62.794 62.100 -0.702 0.000 1.151 520 T CB -0.030 68.466 68.868 -0.620 0.000 0.946 520 T HN 0.650 nan 8.240 nan 0.000 0.542 521 H N 2.336 121.100 119.070 -0.510 0.000 2.808 521 H HA 0.290 4.846 4.556 0.000 0.000 0.268 521 H C -1.144 173.914 175.328 -0.450 0.000 1.306 521 H CA -0.552 55.264 56.048 -0.387 0.000 1.565 521 H CB 0.105 29.818 29.762 -0.082 0.000 1.632 521 H HN 0.485 nan 8.280 nan 0.000 0.525 522 Y N 1.392 121.525 120.300 -0.279 0.000 2.304 522 Y HA 0.274 4.824 4.550 0.000 0.000 0.328 522 Y C -0.382 175.252 175.900 -0.443 0.000 1.123 522 Y CA -0.547 57.420 58.100 -0.222 0.000 1.218 522 Y CB 0.465 38.851 38.460 -0.123 0.000 1.207 522 Y HN 0.479 nan 8.280 nan 0.000 0.495 523 Y N 0.627 121.096 120.300 0.281 0.000 2.327 523 Y HA 0.346 4.896 4.550 0.000 0.000 0.325 523 Y C -0.119 175.918 175.900 0.229 0.000 0.999 523 Y CA -1.061 57.186 58.100 0.244 0.000 1.195 523 Y CB 1.567 40.196 38.460 0.281 0.000 1.132 523 Y HN 0.432 nan 8.280 nan 0.000 0.455 524 T N 5.790 120.507 114.554 0.272 0.000 2.744 524 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 524 T C -0.062 174.751 174.700 0.189 0.000 0.957 524 T CA -0.754 61.462 62.100 0.193 0.000 1.002 524 T CB 0.210 69.147 68.868 0.114 0.000 0.919 524 T HN 0.364 nan 8.240 nan 0.000 0.468 525 R N 1.984 122.584 120.500 0.166 0.000 2.771 525 R HA 0.324 4.664 4.340 -0.000 0.000 0.274 525 R C -0.382 175.916 176.300 -0.003 0.000 0.987 525 R CA -0.949 55.211 56.100 0.101 0.000 0.908 525 R CB 1.530 31.900 30.300 0.118 0.000 1.213 525 R HN 0.664 nan 8.270 nan 0.000 0.468 526 Q N 1.265 121.014 119.800 -0.085 0.000 2.269 526 Q HA 0.001 4.341 4.340 -0.000 0.000 0.300 526 Q C -0.421 175.445 176.000 -0.223 0.000 1.070 526 Q CA 0.588 56.207 55.803 -0.307 0.000 0.957 526 Q CB 0.621 29.203 28.738 -0.260 0.000 1.131 526 Q HN 0.487 nan 8.270 nan 0.000 0.377 527 S N 5.226 120.753 115.700 -0.288 0.000 2.549 527 S HA 0.332 4.802 4.470 -0.000 0.000 0.279 527 S C -2.246 172.285 174.600 -0.115 0.000 1.321 527 S CA -1.417 56.702 58.200 -0.134 0.000 1.054 527 S CB 0.596 63.737 63.200 -0.098 0.000 0.899 527 S HN 0.528 nan 8.310 nan 0.000 0.497 528 P HA 0.169 nan 4.420 nan 0.000 0.272 528 P C -0.388 176.881 177.300 -0.052 0.000 1.230 528 P CA -0.445 62.637 63.100 -0.031 0.000 0.788 528 P CB 0.376 32.069 31.700 -0.011 0.000 0.949 529 D N 0.109 120.465 120.400 -0.073 0.000 2.361 529 D HA 0.007 4.647 4.640 -0.000 0.000 0.239 529 D C -0.257 176.019 176.300 -0.039 0.000 1.200 529 D CA -0.097 53.858 54.000 -0.075 0.000 0.915 529 D CB 0.483 41.222 40.800 -0.102 0.000 1.170 529 D HN -0.068 nan 8.370 nan 0.000 0.444 530 V N 1.869 121.770 119.914 -0.021 0.000 2.584 530 V HA 0.309 4.429 4.120 -0.000 0.000 0.303 530 V C 1.720 177.799 176.094 -0.025 0.000 1.035 530 V CA 1.437 63.733 62.300 -0.006 0.000 1.172 530 V CB 0.321 32.147 31.823 0.006 0.000 0.896 530 V HN 0.923 nan 8.190 nan 0.000 0.486 531 G N 3.842 112.625 108.800 -0.028 0.000 2.234 531 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 531 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 531 G C 0.167 174.965 174.900 -0.169 0.000 0.997 531 G CA 0.068 45.127 45.100 -0.068 0.000 0.623 531 G HN 0.625 nan 8.290 nan 0.000 0.514 532 N N -0.276 118.332 118.700 -0.152 0.000 2.485 532 N HA 0.666 5.406 4.740 -0.000 0.000 0.280 532 N C -0.764 174.670 175.510 -0.126 0.000 1.205 532 N CA -0.406 52.496 53.050 -0.247 0.000 0.959 532 N CB 0.509 38.906 38.487 -0.150 0.000 1.206 532 N HN 0.091 nan 8.380 nan 0.000 0.545 533 Y N 0.316 120.592 120.300 -0.039 0.000 2.334 533 Y HA 0.539 5.089 4.550 -0.000 0.000 0.328 533 Y C 0.394 176.235 175.900 -0.099 0.000 1.130 533 Y CA -0.793 57.274 58.100 -0.056 0.000 1.163 533 Y CB 0.869 39.289 38.460 -0.066 0.000 1.207 533 Y HN 0.292 nan 8.280 nan 0.000 0.471 534 I N 1.480 122.081 120.570 0.052 0.000 2.582 534 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 534 I C -1.059 174.847 176.117 -0.351 0.000 1.066 534 I CA -0.115 61.080 61.300 -0.174 0.000 1.053 534 I CB 1.382 39.275 38.000 -0.179 0.000 1.241 534 I HN 0.561 nan 8.210 nan 0.000 0.421 535 S N 5.251 120.603 115.700 -0.579 0.000 2.600 535 S HA 0.710 5.180 4.470 -0.000 0.000 0.300 535 S C -1.645 172.411 174.600 -0.907 0.000 1.087 535 S CA -0.395 57.465 58.200 -0.566 0.000 0.965 535 S CB 1.691 64.679 63.200 -0.353 0.000 1.089 535 S HN 0.488 nan 8.310 nan 0.000 0.496 536 Y N 0.810 120.912 120.300 -0.331 0.000 2.421 536 Y HA 0.479 5.029 4.550 -0.000 0.000 0.339 536 Y C -0.074 175.683 175.900 -0.239 0.000 0.996 536 Y CA -0.736 57.148 58.100 -0.361 0.000 1.046 536 Y CB 1.546 39.661 38.460 -0.575 0.000 1.226 536 Y HN 0.547 nan 8.280 nan 0.000 0.445 537 Q N 3.830 123.580 119.800 -0.084 0.000 2.271 537 Q HA 0.707 5.047 4.340 -0.000 0.000 0.258 537 Q C -1.842 174.137 176.000 -0.035 0.000 0.936 537 Q CA -0.647 55.126 55.803 -0.050 0.000 0.909 537 Q CB 1.113 29.824 28.738 -0.046 0.000 1.253 537 Q HN 0.780 nan 8.270 nan 0.000 0.440 538 L N 3.062 124.281 121.223 -0.006 0.000 2.356 538 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 538 L C -0.691 176.191 176.870 0.021 0.000 0.996 538 L CA -0.686 54.143 54.840 -0.018 0.000 0.822 538 L CB 2.341 44.368 42.059 -0.053 0.000 1.256 538 L HN 0.610 nan 8.230 nan 0.000 0.413 539 T N 4.132 118.688 114.554 0.004 0.000 2.756 539 T HA 0.442 4.792 4.350 -0.000 0.000 0.290 539 T C 0.174 174.898 174.700 0.041 0.000 0.985 539 T CA -0.465 61.650 62.100 0.024 0.000 0.955 539 T CB 0.755 69.626 68.868 0.004 0.000 0.930 539 T HN 0.162 nan 8.240 nan 0.000 0.451 540 I N 5.624 126.248 120.570 0.090 0.000 2.533 540 I HA 0.199 4.369 4.170 -0.000 0.000 0.284 540 I C -1.991 174.202 176.117 0.127 0.000 1.109 540 I CA -3.134 58.232 61.300 0.110 0.000 1.412 540 I CB -0.195 37.918 38.000 0.188 0.000 1.396 540 I HN 0.292 nan 8.210 nan 0.000 0.543 541 P HA 0.272 nan 4.420 nan 0.000 0.267 541 P C 0.229 177.598 177.300 0.115 0.000 1.200 541 P CA 0.482 63.647 63.100 0.109 0.000 0.772 541 P CB 0.532 32.295 31.700 0.105 0.000 0.855 542 G N 1.598 110.455 108.800 0.094 0.000 2.570 542 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 542 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 542 G C -1.446 173.520 174.900 0.110 0.000 1.257 542 G CA -0.942 44.213 45.100 0.092 0.000 0.846 542 G HN 0.439 nan 8.290 nan 0.000 0.627 543 D N -0.690 119.769 120.400 0.099 0.000 2.329 543 D HA 0.512 5.152 4.640 -0.000 0.000 0.246 543 D C 0.143 176.544 176.300 0.170 0.000 1.111 543 D CA 0.065 54.137 54.000 0.120 0.000 0.941 543 D CB 0.732 41.580 40.800 0.079 0.000 1.169 543 D HN 0.446 nan 8.370 nan 0.000 0.441 544 F N 2.633 122.606 119.950 0.038 0.000 2.375 544 F HA 0.234 4.761 4.527 -0.000 0.000 0.362 544 F C 0.372 176.193 175.800 0.035 0.000 1.129 544 F CA -0.401 57.623 58.000 0.041 0.000 1.154 544 F CB -0.068 38.953 39.000 0.035 0.000 1.205 544 F HN 0.299 nan 8.300 nan 0.000 0.513 545 N N 3.179 121.582 118.700 -0.496 0.000 3.153 545 N HA 0.247 4.987 4.740 -0.000 0.000 0.177 545 N C -0.438 174.696 175.510 -0.625 0.000 1.389 545 N CA -0.237 52.498 53.050 -0.526 0.000 1.117 545 N CB 0.347 38.705 38.487 -0.216 0.000 1.201 545 N HN 0.481 nan 8.380 nan 0.000 0.503 546 N N -1.099 117.436 118.700 -0.274 0.000 2.330 546 N HA 0.185 4.925 4.740 -0.000 0.000 0.249 546 N C -1.375 174.123 175.510 -0.019 0.000 1.413 546 N CA -0.139 52.833 53.050 -0.129 0.000 0.817 546 N CB 1.505 39.934 38.487 -0.097 0.000 1.362 546 N HN 0.183 nan 8.380 nan 0.000 0.499 547 I N 1.813 122.379 120.570 -0.008 0.000 2.472 547 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 547 I C 0.102 176.266 176.117 0.078 0.000 1.016 547 I CA -0.514 60.804 61.300 0.030 0.000 1.348 547 I CB 1.024 39.035 38.000 0.018 0.000 1.417 547 I HN 0.060 nan 8.210 nan 0.000 0.521 548 A N 5.089 127.956 122.820 0.079 0.000 2.316 548 A HA 0.611 4.931 4.320 -0.000 0.000 0.284 548 A C 0.031 177.667 177.584 0.087 0.000 1.115 548 A CA -0.376 51.723 52.037 0.104 0.000 0.812 548 A CB 0.349 19.401 19.000 0.088 0.000 1.064 548 A HN 0.717 nan 8.150 nan 0.000 0.489 549 S N 0.775 116.550 115.700 0.125 0.000 2.562 549 S HA 0.329 4.799 4.470 -0.000 0.000 0.275 549 S C 0.560 175.156 174.600 -0.007 0.000 1.281 549 S CA -0.376 57.881 58.200 0.096 0.000 1.045 549 S CB 0.204 63.532 63.200 0.213 0.000 0.962 549 S HN 0.840 nan 8.310 nan 0.000 0.503 550 S N 3.627 119.271 115.700 -0.092 0.000 4.176 550 S HA -0.147 4.323 4.470 -0.000 0.000 0.501 550 S C 0.619 175.023 174.600 -0.326 0.000 0.996 550 S CA 0.215 58.302 58.200 -0.189 0.000 1.361 550 S CB -1.558 61.507 63.200 -0.225 0.000 0.860 550 S HN 0.667 nan 8.310 nan 0.000 0.534 551 I N 0.722 121.177 120.570 -0.192 0.000 3.221 551 I HA -0.011 4.159 4.170 -0.000 0.000 0.337 551 I C -0.051 175.863 176.117 -0.339 0.000 1.175 551 I CA 0.598 61.802 61.300 -0.159 0.000 1.488 551 I CB -0.085 37.863 38.000 -0.086 0.000 1.280 551 I HN 0.260 nan 8.210 nan 0.000 0.533 552 F N 4.013 123.832 119.950 -0.218 0.000 2.458 552 F HA 0.645 5.172 4.527 -0.000 0.000 0.330 552 F C 0.672 176.114 175.800 -0.598 0.000 1.082 552 F CA -0.297 57.448 58.000 -0.426 0.000 0.995 552 F CB 1.842 40.515 39.000 -0.545 0.000 1.170 552 F HN 0.687 nan 8.300 nan 0.000 0.478 553 S N 3.267 118.673 115.700 -0.491 0.000 2.672 553 S HA 0.652 5.122 4.470 -0.000 0.000 0.291 553 S C -1.312 172.895 174.600 -0.655 0.000 1.145 553 S CA -0.472 57.426 58.200 -0.502 0.000 1.013 553 S CB 0.214 63.265 63.200 -0.248 0.000 1.017 553 S HN 0.397 nan 8.310 nan 0.000 0.487 554 F N 5.063 124.823 119.950 -0.317 0.000 2.411 554 F HA 0.630 5.157 4.527 -0.000 0.000 0.352 554 F C 0.711 176.207 175.800 -0.507 0.000 1.123 554 F CA -0.840 56.800 58.000 -0.600 0.000 1.044 554 F CB 1.405 39.829 39.000 -0.960 0.000 1.135 554 F HN 0.519 nan 8.300 nan 0.000 0.461 555 R N 0.303 120.603 120.500 -0.334 0.000 2.771 555 R HA 0.751 5.091 4.340 -0.000 0.000 0.274 555 R C -1.116 175.102 176.300 -0.137 0.000 0.987 555 R CA -0.896 55.102 56.100 -0.170 0.000 0.908 555 R CB 1.800 32.025 30.300 -0.125 0.000 1.213 555 R HN 0.598 nan 8.270 nan 0.000 0.468 556 T N -1.331 113.246 114.554 0.037 0.000 2.944 556 T HA 0.425 4.775 4.350 -0.000 0.000 0.284 556 T C 0.532 175.272 174.700 0.066 0.000 1.010 556 T CA -0.933 61.235 62.100 0.113 0.000 1.025 556 T CB 2.238 71.225 68.868 0.198 0.000 1.079 556 T HN 0.782 nan 8.240 nan 0.000 0.516 557 R N -0.479 120.060 120.500 0.065 0.000 2.507 557 R HA 0.301 4.641 4.340 -0.000 0.000 0.230 557 R C 1.631 177.939 176.300 0.014 0.000 0.897 557 R CA 0.092 56.202 56.100 0.017 0.000 1.006 557 R CB 0.367 30.639 30.300 -0.046 0.000 1.341 557 R HN 0.779 nan 8.270 nan 0.000 0.604 558 N N -0.699 118.025 118.700 0.039 0.000 2.591 558 N HA 0.085 4.825 4.740 -0.000 0.000 0.200 558 N C -0.325 175.217 175.510 0.052 0.000 1.040 558 N CA 0.046 53.119 53.050 0.038 0.000 0.911 558 N CB 0.571 39.083 38.487 0.041 0.000 1.259 558 N HN 0.028 nan 8.380 nan 0.000 0.438 559 N N 0.809 119.552 118.700 0.071 0.000 2.405 559 N HA 0.182 4.922 4.740 -0.000 0.000 0.299 559 N C -1.102 174.464 175.510 0.092 0.000 1.075 559 N CA -0.517 52.578 53.050 0.075 0.000 0.884 559 N CB 1.885 40.416 38.487 0.073 0.000 1.194 559 N HN 0.013 nan 8.380 nan 0.000 0.491 560 Q N 0.721 120.571 119.800 0.084 0.000 2.306 560 Q HA 0.613 4.953 4.340 -0.000 0.000 0.241 560 Q C -0.487 175.581 176.000 0.114 0.000 0.948 560 Q CA -0.124 55.736 55.803 0.095 0.000 0.886 560 Q CB 1.192 29.977 28.738 0.077 0.000 1.227 560 Q HN 0.757 nan 8.270 nan 0.000 0.457 561 G N 1.751 110.634 108.800 0.139 0.000 2.623 561 G HA2 0.369 4.329 3.960 -0.000 0.000 0.290 561 G HA3 0.369 4.329 3.960 -0.000 0.000 0.290 561 G C -0.296 174.707 174.900 0.171 0.000 1.437 561 G CA -0.580 44.613 45.100 0.156 0.000 0.798 561 G HN 0.636 nan 8.290 nan 0.000 0.488 562 I N 0.614 121.281 120.570 0.161 0.000 2.490 562 I HA 0.397 4.567 4.170 -0.000 0.000 0.234 562 I C 1.460 177.683 176.117 0.176 0.000 1.066 562 I CA 1.269 62.659 61.300 0.149 0.000 1.405 562 I CB -0.180 37.885 38.000 0.109 0.000 1.191 562 I HN 1.075 nan 8.210 nan 0.000 0.433 563 G N 1.184 110.046 108.800 0.103 0.000 3.039 563 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 563 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 563 G C -0.484 174.275 174.900 -0.236 0.000 1.066 563 G CA -0.670 44.405 45.100 -0.041 0.000 0.774 563 G HN 0.240 nan 8.290 nan 0.000 0.591 564 T N 2.366 116.554 114.554 -0.611 0.000 2.928 564 T HA 0.536 4.886 4.350 -0.000 0.000 0.296 564 T C -0.432 173.754 174.700 -0.857 0.000 1.000 564 T CA -0.578 61.144 62.100 -0.630 0.000 0.989 564 T CB 1.821 70.327 68.868 -0.603 0.000 1.005 564 T HN 1.173 nan 8.240 nan 0.000 0.442 565 L N 4.345 125.230 121.223 -0.564 0.000 2.264 565 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 565 L C -1.567 175.144 176.870 -0.266 0.000 1.044 565 L CA -0.399 54.295 54.840 -0.243 0.000 0.807 565 L CB -0.039 42.143 42.059 0.206 0.000 1.192 565 L HN 0.614 nan 8.230 nan 0.000 0.425 566 Y N 3.481 123.804 120.300 0.038 0.000 2.509 566 Y HA 0.653 5.203 4.550 -0.000 0.000 0.341 566 Y C -0.062 175.889 175.900 0.086 0.000 1.038 566 Y CA -0.833 57.284 58.100 0.028 0.000 1.089 566 Y CB 1.426 39.850 38.460 -0.059 0.000 1.241 566 Y HN 0.518 nan 8.280 nan 0.000 0.468 567 R N 2.403 122.994 120.500 0.152 0.000 2.229 567 R HA 0.435 4.775 4.340 -0.000 0.000 0.332 567 R C -1.895 174.309 176.300 -0.161 0.000 0.989 567 R CA -0.632 55.361 56.100 -0.178 0.000 0.842 567 R CB 0.289 30.503 30.300 -0.143 0.000 1.119 567 R HN 0.646 nan 8.270 nan 0.000 0.456 568 L N 5.207 126.277 121.223 -0.255 0.000 2.283 568 L HA 0.388 4.728 4.340 -0.000 0.000 0.287 568 L C -0.150 176.589 176.870 -0.218 0.000 1.073 568 L CA 0.382 55.092 54.840 -0.217 0.000 0.822 568 L CB 0.864 42.767 42.059 -0.260 0.000 1.186 568 L HN 0.936 nan 8.230 nan 0.000 0.436 569 T N 1.203 115.681 114.554 -0.127 0.000 2.862 569 T HA 0.566 4.916 4.350 -0.000 0.000 0.276 569 T C 0.354 175.057 174.700 0.006 0.000 0.974 569 T CA -0.144 61.903 62.100 -0.087 0.000 0.966 569 T CB 1.226 70.066 68.868 -0.047 0.000 1.072 569 T HN 0.625 nan 8.240 nan 0.000 0.538 570 E N -0.573 119.632 120.200 0.008 0.000 2.812 570 E HA 0.244 4.594 4.350 -0.000 0.000 0.211 570 E C 0.103 176.712 176.600 0.014 0.000 0.986 570 E CA -0.646 55.801 56.400 0.079 0.000 1.119 570 E CB -0.384 29.334 29.700 0.030 0.000 1.046 570 E HN 0.618 nan 8.360 nan 0.000 0.474 571 S N 0.773 116.472 115.700 -0.002 0.000 2.549 571 S HA 0.166 4.636 4.470 -0.000 0.000 0.283 571 S C 0.575 175.147 174.600 -0.046 0.000 1.320 571 S CA -0.886 57.300 58.200 -0.022 0.000 1.058 571 S CB 0.669 63.859 63.200 -0.017 0.000 0.882 571 S HN 0.292 nan 8.310 nan 0.000 0.498 572 I N 2.991 123.531 120.570 -0.051 0.000 2.668 572 I HA 0.169 4.339 4.170 -0.000 0.000 0.309 572 I C -0.100 175.971 176.117 -0.076 0.000 1.195 572 I CA 0.109 61.366 61.300 -0.072 0.000 1.919 572 I CB -1.566 36.400 38.000 -0.057 0.000 1.551 572 I HN 0.672 nan 8.210 nan 0.000 0.908 573 N N 4.734 123.375 118.700 -0.098 0.000 2.498 573 N HA 0.291 5.031 4.740 -0.000 0.000 0.272 573 N C 0.028 175.454 175.510 -0.141 0.000 1.534 573 N CA 0.527 53.518 53.050 -0.099 0.000 0.873 573 N CB 0.703 39.150 38.487 -0.068 0.000 1.415 573 N HN 0.663 nan 8.380 nan 0.000 0.496 574 G N 0.395 109.063 108.800 -0.220 0.000 2.632 574 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.224 574 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.224 574 G C -0.852 173.851 174.900 -0.327 0.000 1.341 574 G CA -0.718 44.181 45.100 -0.333 0.000 0.880 574 G HN 0.193 nan 8.290 nan 0.000 0.566 575 Y N 0.431 120.667 120.300 -0.106 0.000 2.335 575 Y HA 0.604 5.154 4.550 0.000 0.000 0.323 575 Y C 0.805 176.642 175.900 -0.105 0.000 1.224 575 Y CA -0.279 57.755 58.100 -0.110 0.000 1.241 575 Y CB 1.758 40.142 38.460 -0.127 0.000 1.235 575 Y HN 0.752 nan 8.280 nan 0.000 0.492 576 N N 0.940 119.688 118.700 0.081 0.000 2.240 576 N HA 0.506 5.246 4.740 -0.000 0.000 0.302 576 N C -2.197 173.295 175.510 -0.030 0.000 1.106 576 N CA -0.532 52.520 53.050 0.004 0.000 0.778 576 N CB 1.312 39.796 38.487 -0.004 0.000 1.431 576 N HN 0.412 nan 8.380 nan 0.000 0.479 577 L N 2.682 123.874 121.223 -0.053 0.000 2.313 577 L HA 0.568 4.908 4.340 -0.000 0.000 0.283 577 L C -0.875 176.033 176.870 0.064 0.000 1.013 577 L CA -0.485 54.328 54.840 -0.046 0.000 0.816 577 L CB 1.371 43.285 42.059 -0.241 0.000 1.236 577 L HN 0.536 nan 8.230 nan 0.000 0.419 578 I N 2.069 122.702 120.570 0.105 0.000 2.362 578 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 578 I C 0.228 176.440 176.117 0.160 0.000 0.994 578 I CA -0.119 61.247 61.300 0.111 0.000 1.158 578 I CB 1.790 39.826 38.000 0.059 0.000 1.315 578 I HN 0.528 nan 8.210 nan 0.000 0.451 579 T N 6.707 121.329 114.554 0.113 0.000 2.834 579 T HA 0.209 4.559 4.350 -0.000 0.000 0.298 579 T C 1.466 176.146 174.700 -0.032 0.000 0.966 579 T CA -0.094 61.980 62.100 -0.044 0.000 1.141 579 T CB 0.779 69.592 68.868 -0.091 0.000 0.905 579 T HN 0.282 nan 8.240 nan 0.000 0.535 580 I N 1.664 122.205 120.570 -0.049 0.000 2.729 580 I HA 0.234 4.404 4.170 -0.000 0.000 0.256 580 I C 0.999 177.090 176.117 -0.042 0.000 1.115 580 I CA 0.736 62.052 61.300 0.028 0.000 1.446 580 I CB -0.298 37.791 38.000 0.149 0.000 1.176 580 I HN 0.531 nan 8.210 nan 0.000 0.446 581 N N 0.404 119.023 118.700 -0.134 0.000 2.859 581 N HA 0.277 5.017 4.740 -0.000 0.000 0.250 581 N C -1.510 173.743 175.510 -0.428 0.000 1.341 581 N CA -0.492 52.396 53.050 -0.270 0.000 0.881 581 N CB 1.576 39.893 38.487 -0.284 0.000 1.516 581 N HN -0.032 nan 8.380 nan 0.000 0.503 582 N N -0.187 118.199 118.700 -0.523 0.000 2.328 582 N HA 0.551 5.291 4.740 -0.000 0.000 0.299 582 N C -1.568 173.542 175.510 -0.667 0.000 1.179 582 N CA -0.351 52.425 53.050 -0.458 0.000 0.793 582 N CB 1.629 39.973 38.487 -0.239 0.000 1.366 582 N HN 0.337 nan 8.380 nan 0.000 0.493 583 Y N -0.232 120.073 120.300 0.009 0.000 2.406 583 Y HA 0.306 4.856 4.550 0.000 0.000 0.340 583 Y C 0.776 176.715 175.900 0.066 0.000 0.975 583 Y CA -0.726 57.418 58.100 0.074 0.000 1.056 583 Y CB 2.067 40.628 38.460 0.168 0.000 1.210 583 Y HN 0.521 nan 8.280 nan 0.000 0.448 584 S N 0.766 116.572 115.700 0.178 0.000 2.371 584 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 584 S C -0.283 174.403 174.600 0.143 0.000 1.029 584 S CA 1.146 59.420 58.200 0.123 0.000 0.978 584 S CB -0.062 63.189 63.200 0.084 0.000 0.833 584 S HN 0.638 nan 8.310 nan 0.000 0.466 585 D N -0.465 120.034 120.400 0.165 0.000 2.646 585 D HA 0.476 5.116 4.640 -0.000 0.000 0.245 585 D C -0.054 176.346 176.300 0.167 0.000 1.099 585 D CA -0.510 53.577 54.000 0.144 0.000 0.849 585 D CB 1.715 42.577 40.800 0.102 0.000 1.448 585 D HN -0.119 nan 8.370 nan 0.000 0.489 586 L N 1.034 122.354 121.223 0.161 0.000 2.537 586 L HA 0.271 4.611 4.340 -0.000 0.000 0.224 586 L C 0.217 177.144 176.870 0.095 0.000 1.065 586 L CA 0.109 55.044 54.840 0.159 0.000 0.860 586 L CB -0.171 42.034 42.059 0.243 0.000 1.086 586 L HN 0.350 nan 8.230 nan 0.000 0.482 587 L N 1.355 122.631 121.223 0.088 0.000 2.500 587 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 587 L C 0.913 177.801 176.870 0.030 0.000 1.149 587 L CA 0.773 55.649 54.840 0.060 0.000 0.897 587 L CB -0.819 41.275 42.059 0.059 0.000 1.178 587 L HN 0.473 nan 8.230 nan 0.000 0.473 588 N N 1.354 120.058 118.700 0.008 0.000 2.809 588 N HA -0.319 4.421 4.740 -0.000 0.000 0.244 588 N C -0.091 175.401 175.510 -0.030 0.000 1.018 588 N CA 1.122 54.162 53.050 -0.017 0.000 0.917 588 N CB -0.751 37.729 38.487 -0.010 0.000 1.130 588 N HN 0.651 nan 8.380 nan 0.000 0.591 589 N N 0.385 119.077 118.700 -0.014 0.000 2.296 589 N HA 0.699 5.439 4.740 -0.000 0.000 0.294 589 N C -1.679 173.823 175.510 -0.012 0.000 1.033 589 N CA -0.347 52.693 53.050 -0.016 0.000 0.839 589 N CB 2.298 40.790 38.487 0.009 0.000 1.395 589 N HN 0.015 nan 8.380 nan 0.000 0.479 590 V N 1.967 121.858 119.914 -0.038 0.000 3.174 590 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 590 V C -1.448 174.624 176.094 -0.037 0.000 1.554 590 V CA -0.809 61.469 62.300 -0.038 0.000 1.016 590 V CB 2.063 33.810 31.823 -0.127 0.000 1.197 590 V HN 0.736 nan 8.190 nan 0.000 0.453 591 E N 5.976 126.197 120.200 0.035 0.000 2.277 591 E HA 0.546 4.896 4.350 -0.000 0.000 0.274 591 E C -2.723 173.889 176.600 0.020 0.000 1.022 591 E CA -1.855 54.575 56.400 0.051 0.000 0.853 591 E CB 1.477 31.256 29.700 0.131 0.000 1.086 591 E HN 0.492 nan 8.360 nan 0.000 0.397 592 P HA 0.363 nan 4.420 nan 0.000 0.276 592 P C -0.471 176.843 177.300 0.024 0.000 1.244 592 P CA -0.410 62.667 63.100 -0.039 0.000 0.801 592 P CB 1.133 32.802 31.700 -0.051 0.000 1.006 593 I N 0.269 120.846 120.570 0.011 0.000 2.827 593 I HA 0.272 4.442 4.170 -0.000 0.000 0.298 593 I C -0.808 175.340 176.117 0.051 0.000 1.235 593 I CA -0.732 60.611 61.300 0.072 0.000 1.021 593 I CB 2.280 40.385 38.000 0.175 0.000 1.259 593 I HN 0.425 nan 8.210 nan 0.000 0.427 594 S N 7.500 123.235 115.700 0.060 0.000 2.480 594 S HA 0.735 5.205 4.470 -0.000 0.000 0.286 594 S C -0.956 173.683 174.600 0.064 0.000 1.180 594 S CA -0.637 57.601 58.200 0.063 0.000 1.075 594 S CB 1.115 64.346 63.200 0.053 0.000 0.996 594 S HN 0.529 nan 8.310 nan 0.000 0.487 595 L N 3.165 124.433 121.223 0.074 0.000 2.362 595 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 595 L C -0.281 176.692 176.870 0.172 0.000 1.002 595 L CA -1.079 53.746 54.840 -0.026 0.000 0.818 595 L CB 1.618 43.471 42.059 -0.344 0.000 1.298 595 L HN 0.585 nan 8.230 nan 0.000 0.420 596 L N 2.260 123.677 121.223 0.323 0.000 2.456 596 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 596 L C 0.515 177.595 176.870 0.350 0.000 1.189 596 L CA 0.093 55.138 54.840 0.342 0.000 0.846 596 L CB 0.022 42.335 42.059 0.425 0.000 1.111 596 L HN 0.634 nan 8.230 nan 0.000 0.475 597 N N 1.607 120.475 118.700 0.280 0.000 2.492 597 N HA 0.131 4.871 4.740 -0.000 0.000 0.262 597 N C 0.972 176.668 175.510 0.309 0.000 1.202 597 N CA 0.563 53.763 53.050 0.249 0.000 0.926 597 N CB 0.581 39.173 38.487 0.175 0.000 1.078 597 N HN 0.911 nan 8.380 nan 0.000 0.454 598 G N 0.308 109.241 108.800 0.221 0.000 2.166 598 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 598 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 598 G C 0.040 174.974 174.900 0.056 0.000 0.986 598 G CA 0.355 45.553 45.100 0.163 0.000 0.683 598 G HN 0.813 nan 8.290 nan 0.000 0.527 599 A N -0.612 122.272 122.820 0.106 0.000 2.306 599 A HA 0.848 5.168 4.320 -0.000 0.000 0.330 599 A C 0.347 177.908 177.584 -0.039 0.000 1.146 599 A CA 0.406 52.409 52.037 -0.057 0.000 0.827 599 A CB 1.105 20.133 19.000 0.047 0.000 1.178 599 A HN 0.653 nan 8.150 nan 0.000 0.490 600 T N 1.945 116.355 114.554 -0.240 0.000 2.758 600 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 600 T C -1.245 173.267 174.700 -0.313 0.000 0.981 600 T CA 0.360 62.357 62.100 -0.172 0.000 0.965 600 T CB -0.018 68.738 68.868 -0.186 0.000 0.927 600 T HN 0.396 nan 8.240 nan 0.000 0.448 601 Y N 1.822 122.100 120.300 -0.037 0.000 2.468 601 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 601 Y C 0.150 176.042 175.900 -0.014 0.000 1.021 601 Y CA -1.315 56.785 58.100 0.000 0.000 1.079 601 Y CB 1.373 39.855 38.460 0.038 0.000 1.226 601 Y HN 0.474 nan 8.280 nan 0.000 0.460 602 I N 2.816 123.487 120.570 0.169 0.000 2.465 602 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 602 I C -1.367 174.852 176.117 0.169 0.000 1.014 602 I CA -0.702 60.661 61.300 0.105 0.000 1.093 602 I CB 1.730 39.741 38.000 0.017 0.000 1.267 602 I HN 0.475 nan 8.210 nan 0.000 0.431 603 F N 6.467 126.370 119.950 -0.080 0.000 2.403 603 F HA 0.462 4.989 4.527 0.000 0.000 0.355 603 F C 0.147 175.896 175.800 -0.086 0.000 1.119 603 F CA -0.573 57.349 58.000 -0.129 0.000 1.007 603 F CB 0.796 39.578 39.000 -0.363 0.000 1.194 603 F HN 0.361 nan 8.300 nan 0.000 0.443 604 R N 5.707 126.079 120.500 -0.214 0.000 2.254 604 R HA 0.628 4.968 4.340 -0.000 0.000 0.318 604 R C -1.728 174.501 176.300 -0.118 0.000 1.031 604 R CA -0.420 55.584 56.100 -0.160 0.000 0.905 604 R CB 1.143 31.331 30.300 -0.187 0.000 1.050 604 R HN 0.516 nan 8.270 nan 0.000 0.456 605 V N 5.180 125.132 119.914 0.063 0.000 2.398 605 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 605 V C -0.149 176.071 176.094 0.210 0.000 1.026 605 V CA -0.675 61.735 62.300 0.182 0.000 0.868 605 V CB 1.548 33.549 31.823 0.297 0.000 0.982 605 V HN 0.694 nan 8.190 nan 0.000 0.443 606 K N 4.276 124.810 120.400 0.224 0.000 2.316 606 K HA 0.518 4.838 4.320 -0.000 0.000 0.267 606 K C -0.843 175.847 176.600 0.150 0.000 1.025 606 K CA -0.494 55.943 56.287 0.250 0.000 0.896 606 K CB 1.508 34.175 32.500 0.279 0.000 1.124 606 K HN 0.521 nan 8.250 nan 0.000 0.451 607 V N 4.005 123.984 119.914 0.108 0.000 2.585 607 V HA -0.019 4.101 4.120 -0.000 0.000 0.296 607 V C 1.389 177.521 176.094 0.063 0.000 1.035 607 V CA 0.563 62.913 62.300 0.083 0.000 1.084 607 V CB 1.051 32.905 31.823 0.053 0.000 0.953 607 V HN 1.030 nan 8.190 nan 0.000 0.483 608 T N 0.149 114.744 114.554 0.069 0.000 2.958 608 T HA 0.231 4.581 4.350 -0.000 0.000 0.256 608 T C 0.241 174.970 174.700 0.048 0.000 0.983 608 T CA 0.100 62.234 62.100 0.056 0.000 0.924 608 T CB 0.181 69.088 68.868 0.065 0.000 1.136 608 T HN 0.803 nan 8.240 nan 0.000 0.506 609 E N 0.686 120.917 120.200 0.052 0.000 2.304 609 E HA 0.519 4.869 4.350 -0.000 0.000 0.277 609 E C -1.813 174.814 176.600 0.044 0.000 0.898 609 E CA -1.163 55.263 56.400 0.044 0.000 0.764 609 E CB 1.873 31.599 29.700 0.044 0.000 1.216 609 E HN 0.105 nan 8.360 nan 0.000 0.419 610 L N 4.152 125.398 121.223 0.038 0.000 2.360 610 L HA 0.413 4.753 4.340 -0.000 0.000 0.265 610 L C -0.567 176.331 176.870 0.046 0.000 1.066 610 L CA -0.033 54.829 54.840 0.037 0.000 0.929 610 L CB -0.062 42.013 42.059 0.026 0.000 1.306 610 L HN 0.676 nan 8.230 nan 0.000 0.434 611 N N 2.211 120.941 118.700 0.049 0.000 2.405 611 N HA 0.106 4.846 4.740 -0.000 0.000 0.175 611 N C 0.014 175.562 175.510 0.063 0.000 1.051 611 N CA 0.089 53.170 53.050 0.051 0.000 0.899 611 N CB 0.235 38.748 38.487 0.044 0.000 1.000 611 N HN 0.504 nan 8.380 nan 0.000 0.451 612 N N -0.829 117.914 118.700 0.072 0.000 2.329 612 N HA 0.012 4.752 4.740 -0.000 0.000 0.282 612 N C -0.429 175.156 175.510 0.124 0.000 1.198 612 N CA -0.468 52.641 53.050 0.099 0.000 0.790 612 N CB 1.157 39.692 38.487 0.079 0.000 1.579 612 N HN -0.097 nan 8.380 nan 0.000 0.475 613 Y N 2.172 122.503 120.300 0.051 0.000 2.207 613 Y HA 0.059 4.609 4.550 0.000 0.000 0.287 613 Y C 0.036 175.967 175.900 0.053 0.000 1.156 613 Y CA 1.468 59.603 58.100 0.058 0.000 1.182 613 Y CB 0.100 38.598 38.460 0.062 0.000 0.979 613 Y HN 0.415 nan 8.280 nan 0.000 0.521 614 N N 0.870 119.578 118.700 0.014 0.000 2.430 614 N HA 0.214 4.954 4.740 -0.000 0.000 0.292 614 N C -1.211 174.306 175.510 0.013 0.000 1.051 614 N CA -0.396 52.627 53.050 -0.045 0.000 0.917 614 N CB 1.800 40.325 38.487 0.065 0.000 1.164 614 N HN 0.251 nan 8.380 nan 0.000 0.484 615 I N 2.486 123.073 120.570 0.028 0.000 2.353 615 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 615 I C -0.545 175.666 176.117 0.157 0.000 0.992 615 I CA -0.649 60.711 61.300 0.099 0.000 1.268 615 I CB 0.736 38.814 38.000 0.129 0.000 1.387 615 I HN 0.364 nan 8.210 nan 0.000 0.478 616 I N 7.640 128.301 120.570 0.151 0.000 2.359 616 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 616 I C -0.900 175.371 176.117 0.257 0.000 0.987 616 I CA -0.513 60.890 61.300 0.173 0.000 1.225 616 I CB 1.422 39.446 38.000 0.040 0.000 1.366 616 I HN 0.449 nan 8.210 nan 0.000 0.466 617 F N 5.802 125.820 119.950 0.113 0.000 2.469 617 F HA 0.436 4.963 4.527 -0.000 0.000 0.332 617 F C -0.490 175.395 175.800 0.141 0.000 1.103 617 F CA -0.652 57.325 58.000 -0.039 0.000 0.979 617 F CB 1.224 39.880 39.000 -0.573 0.000 1.137 617 F HN 0.331 nan 8.300 nan 0.000 0.463 618 D N 4.524 124.576 120.400 -0.580 0.000 2.471 618 D HA 0.474 5.114 4.640 -0.000 0.000 0.245 618 D C -1.261 174.703 176.300 -0.560 0.000 1.116 618 D CA -0.341 53.470 54.000 -0.314 0.000 0.853 618 D CB 1.598 42.366 40.800 -0.053 0.000 1.123 618 D HN 0.671 nan 8.370 nan 0.000 0.540 619 A N 4.501 127.202 122.820 -0.198 0.000 2.478 619 A HA 0.283 4.603 4.320 -0.000 0.000 0.327 619 A C -0.939 176.742 177.584 0.161 0.000 1.431 619 A CA -0.600 51.459 52.037 0.036 0.000 1.014 619 A CB -0.342 18.806 19.000 0.247 0.000 1.143 619 A HN 0.597 nan 8.150 nan 0.000 0.532 620 Y N 2.405 122.633 120.300 -0.120 0.000 2.365 620 Y HA 0.344 4.894 4.550 -0.000 0.000 0.340 620 Y C 0.857 176.637 175.900 -0.201 0.000 1.016 620 Y CA -0.051 57.972 58.100 -0.129 0.000 1.196 620 Y CB 0.570 38.894 38.460 -0.228 0.000 1.167 620 Y HN 0.647 nan 8.280 nan 0.000 0.509 621 R N 5.664 125.880 120.500 -0.474 0.000 2.233 621 R HA 0.111 4.451 4.340 -0.000 0.000 0.334 621 R C 0.293 176.240 176.300 -0.587 0.000 1.037 621 R CA -0.276 55.373 56.100 -0.752 0.000 0.920 621 R CB 0.252 30.134 30.300 -0.698 0.000 1.137 621 R HN 0.859 nan 8.270 nan 0.000 0.492 622 N N 1.962 120.468 118.700 -0.323 0.000 2.054 622 N HA -0.128 4.612 4.740 -0.000 0.000 0.193 622 N C 0.211 175.631 175.510 -0.150 0.000 1.066 622 N CA 1.645 54.649 53.050 -0.077 0.000 0.853 622 N CB -0.189 38.329 38.487 0.051 0.000 1.048 622 N HN 0.629 nan 8.380 nan 0.000 0.431 623 S N 0.000 115.611 115.700 -0.149 0.000 2.498 623 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 623 S CA 0.000 58.130 58.200 -0.116 0.000 1.107 623 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 623 S HN 0.000 nan 8.310 nan 0.000 0.517