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 1lfi_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRRRSVQWcA VSNPEATKcF QWQRNMRKVR GPPVScIKRD SPIQcIQAIA DATA SEQUENCE ENRADAVTLD GGFIYEAGLA PYKLRPVAAE VYGTERQPRT HYYAVAVVKK DATA SEQUENCE GGSFQLNELQ GLKScHTGLR RTAGWNVPIG TLRPFLNWTG PPEPIEAAVA DATA SEQUENCE RFFSAScVPG ADKGQFPNLc RLcAGTGENK cAFSSQEPYF SYSGAFKcLR DATA SEQUENCE DGAGDVAFIR ESTVFEDLSD EAERDEYELL cPDNTRKPVD KFKDcHLARV DATA SEQUENCE PSHAVVARSV NGKEDAIWNL LRQAQEKFGK DKSPKFQLFG SPSGQKDLLF DATA SEQUENCE KDSAIGFSRV PPRIDSGLYL GSGYFTAIQN LRKSEEEVAA RRARVVWcAV DATA SEQUENCE GEQELRKcNQ WSGLSEGSVT cSSASTTEDc IALVLKGEAD AMSLDGGYVY DATA SEQUENCE TAGKcGLVPV LAENYKSQQS SDPDPNcVDR PVEGYLAVAV VRRSDTSLTW DATA SEQUENCE NSVKGKKScH TAVDRTAGWN IPMGLLFNQT GScKFDEYFS QScAPGSDPR DATA SEQUENCE SNLcALcIGD EEGENKcVPN SNERYYGYTG AFRcLAENAG DVAFVKDVTV DATA SEQUENCE LQNTDGNNNE AWAKDLKLAD FALLcLDGKR KPVTEARScH LAMAPNHAVV DATA SEQUENCE SRMDKVERLK QVLLHQQAKF GRNGSDcPDK FcLFQSETKN LLFNDNTEcL DATA SEQUENCE ARLHGKTTYE KYLGPQYVAG ITNLKKcSTS PLLEAcEFLR K 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 1 G C 0.000 174.903 174.900 0.005 0.000 0.946 1 G CA 0.000 45.101 45.100 0.001 0.000 0.502 2 R N -2.379 118.126 120.500 0.009 0.000 3.958 2 R HA 0.238 4.589 4.340 0.018 0.000 0.335 2 R C 1.734 178.049 176.300 0.025 0.000 1.270 2 R CA 4.214 60.325 56.100 0.017 0.000 1.210 2 R CB -2.429 27.882 30.300 0.019 0.000 1.635 2 R HN 2.985 nan 8.270 nan 0.000 0.582 3 R N -3.742 116.769 120.500 0.018 0.000 3.577 3 R HA 0.727 5.078 4.340 0.018 0.000 0.259 3 R C 0.711 177.016 176.300 0.009 0.000 0.861 3 R CA 1.188 57.300 56.100 0.020 0.000 0.765 3 R CB -0.941 29.374 30.300 0.026 0.000 1.626 3 R HN 1.979 nan 8.270 nan 0.000 0.462 4 R N -1.584 118.920 120.500 0.006 0.000 3.348 4 R HA -0.114 4.237 4.340 0.018 0.000 0.071 4 R C -0.555 175.738 176.300 -0.011 0.000 0.796 4 R CA 2.072 58.170 56.100 -0.003 0.000 1.262 4 R CB -1.822 28.475 30.300 -0.005 0.000 0.744 4 R HN 2.452 nan 8.270 nan 0.000 0.643 5 S N 2.118 117.808 115.700 -0.018 0.000 2.475 5 S HA 0.699 5.179 4.470 0.018 0.000 0.298 5 S C -0.046 174.542 174.600 -0.020 0.000 1.119 5 S CA -0.417 57.763 58.200 -0.033 0.000 1.085 5 S CB 2.281 65.456 63.200 -0.043 0.000 1.028 5 S HN 0.410 nan 8.310 nan 0.000 0.489 6 V N 3.836 123.740 119.914 -0.017 0.000 2.383 6 V HA 0.303 4.434 4.120 0.018 0.000 0.275 6 V C 0.061 176.170 176.094 0.024 0.000 1.036 6 V CA -0.508 61.807 62.300 0.025 0.000 0.889 6 V CB 0.893 32.772 31.823 0.094 0.000 0.985 6 V HN 0.945 nan 8.190 nan 0.000 0.459 7 Q N 4.834 124.640 119.800 0.010 0.000 2.361 7 Q HA 0.168 4.519 4.340 0.018 0.000 0.250 7 Q C -0.313 175.723 176.000 0.061 0.000 1.023 7 Q CA 0.092 55.899 55.803 0.008 0.000 0.915 7 Q CB 0.920 29.643 28.738 -0.024 0.000 1.238 7 Q HN 0.754 nan 8.270 nan 0.000 0.451 8 W N 2.451 123.680 121.300 -0.118 0.000 2.161 8 W HA 0.261 4.931 4.660 0.017 0.000 0.344 8 W C -0.443 176.025 176.519 -0.085 0.000 1.262 8 W CA -0.760 56.544 57.345 -0.068 0.000 1.270 8 W CB 1.279 30.727 29.460 -0.021 0.000 1.126 8 W HN 0.456 nan 8.180 nan 0.000 0.598 9 c N 4.602 123.184 118.600 -0.030 0.000 2.281 9 c HA 0.722 5.303 4.570 0.018 0.000 0.323 9 c C 0.334 174.469 174.090 0.074 0.000 1.270 9 c CA -0.392 55.918 56.329 -0.031 0.000 1.559 9 c CB -0.852 41.578 42.510 -0.134 0.000 2.239 9 c HN 0.569 nan 8.230 nan 0.000 0.488 10 A N 3.975 126.829 122.820 0.057 0.000 2.279 10 A HA 0.600 4.931 4.320 0.018 0.000 0.303 10 A C 0.795 178.396 177.584 0.028 0.000 1.108 10 A CA 0.154 52.229 52.037 0.063 0.000 0.830 10 A CB 0.802 19.818 19.000 0.027 0.000 1.106 10 A HN 1.805 nan 8.150 nan 0.000 0.493 11 V N -1.301 118.634 119.914 0.035 0.000 3.477 11 V HA 0.415 4.546 4.120 0.018 0.000 0.297 11 V C 0.451 176.557 176.094 0.020 0.000 1.433 11 V CA 0.934 63.246 62.300 0.020 0.000 1.052 11 V CB -0.613 31.224 31.823 0.025 0.000 0.895 11 V HN 1.037 nan 8.190 nan 0.000 0.438 12 S N -0.556 115.163 115.700 0.031 0.000 2.661 12 S HA 0.385 4.865 4.470 0.018 0.000 0.285 12 S C 0.551 175.178 174.600 0.046 0.000 1.138 12 S CA 0.021 58.239 58.200 0.030 0.000 0.855 12 S CB 1.793 65.016 63.200 0.038 0.000 1.136 12 S HN 0.362 nan 8.310 nan 0.000 0.484 13 N N 1.070 119.797 118.700 0.045 0.000 2.051 13 N HA 0.039 4.790 4.740 0.018 0.000 0.192 13 N C -1.195 174.365 175.510 0.083 0.000 1.049 13 N CA 1.044 54.133 53.050 0.065 0.000 0.845 13 N CB -0.557 37.958 38.487 0.047 0.000 1.031 13 N HN 0.455 nan 8.380 nan 0.000 0.425 14 P HA -0.052 nan 4.420 nan 0.000 0.236 14 P C 0.150 177.499 177.300 0.081 0.000 1.172 14 P CA 1.076 64.222 63.100 0.075 0.000 0.759 14 P CB 0.012 31.748 31.700 0.061 0.000 0.843 15 E N -0.737 119.507 120.200 0.073 0.000 2.201 15 E HA 0.069 4.429 4.350 0.018 0.000 0.193 15 E C 1.982 178.610 176.600 0.046 0.000 0.957 15 E CA 0.454 56.889 56.400 0.058 0.000 0.858 15 E CB -0.141 29.590 29.700 0.051 0.000 0.816 15 E HN 0.117 nan 8.360 nan 0.000 0.475 16 A N 1.395 124.249 122.820 0.057 0.000 1.898 16 A HA -0.181 4.150 4.320 0.018 0.000 0.216 16 A C 2.449 180.150 177.584 0.194 0.000 1.181 16 A CA 2.188 54.233 52.037 0.014 0.000 0.620 16 A CB -1.083 18.007 19.000 0.150 0.000 0.819 16 A HN 0.367 nan 8.150 nan 0.000 0.442 17 T N -1.085 113.625 114.554 0.260 0.000 2.746 17 T HA -0.230 4.131 4.350 0.018 0.000 0.267 17 T C 1.923 176.757 174.700 0.224 0.000 1.039 17 T CA 2.032 64.298 62.100 0.277 0.000 1.142 17 T CB -0.312 68.653 68.868 0.163 0.000 0.866 17 T HN 0.517 nan 8.240 nan 0.000 0.444 18 K N -0.213 120.288 120.400 0.169 0.000 2.103 18 K HA 0.012 4.343 4.320 0.018 0.000 0.204 18 K C 2.606 179.338 176.600 0.219 0.000 1.052 18 K CA 1.178 57.589 56.287 0.206 0.000 0.945 18 K CB -0.878 31.714 32.500 0.153 0.000 0.722 18 K HN 0.493 nan 8.250 nan 0.000 0.443 19 c N 0.319 118.981 118.600 0.103 0.000 2.432 19 c HA 0.013 4.594 4.570 0.018 0.000 0.280 19 c C 2.090 176.129 174.090 -0.084 0.000 1.353 19 c CA 0.270 56.613 56.329 0.023 0.000 1.766 19 c CB -1.222 41.189 42.510 -0.165 0.000 1.924 19 c HN 0.545 nan 8.230 nan 0.000 0.509 20 F N 1.349 121.314 119.950 0.025 0.000 2.179 20 F HA 0.012 4.550 4.527 0.018 0.000 0.292 20 F C 2.588 178.319 175.800 -0.115 0.000 1.089 20 F CA 1.585 59.559 58.000 -0.044 0.000 1.295 20 F CB -0.884 38.100 39.000 -0.026 0.000 1.041 20 F HN 0.304 nan 8.300 nan 0.000 0.487 21 Q N -1.109 118.729 119.800 0.063 0.000 2.096 21 Q HA -0.271 4.080 4.340 0.018 0.000 0.204 21 Q C 2.047 177.689 176.000 -0.598 0.000 0.982 21 Q CA 1.859 57.551 55.803 -0.186 0.000 0.850 21 Q CB -0.854 27.825 28.738 -0.098 0.000 0.901 21 Q HN 0.490 nan 8.270 nan 0.000 0.422 22 W N 2.412 123.198 121.300 -0.856 0.000 2.333 22 W HA -0.234 4.437 4.660 0.018 0.000 0.316 22 W C 2.197 178.384 176.519 -0.555 0.000 1.215 22 W CA 1.710 58.424 57.345 -1.051 0.000 1.278 22 W CB -0.829 28.465 29.460 -0.277 0.000 1.154 22 W HN 0.229 nan 8.180 nan 0.000 0.486 23 Q N -0.061 119.552 119.800 -0.311 0.000 2.224 23 Q HA -0.362 3.988 4.340 0.018 0.000 0.213 23 Q C 2.313 178.173 176.000 -0.234 0.000 0.998 23 Q CA 2.833 58.449 55.803 -0.311 0.000 0.895 23 Q CB -0.254 28.419 28.738 -0.109 0.000 0.926 23 Q HN 0.169 nan 8.270 nan 0.000 0.417 24 R N 0.109 120.485 120.500 -0.207 0.000 2.075 24 R HA 0.050 4.401 4.340 0.018 0.000 0.220 24 R C 1.536 177.732 176.300 -0.172 0.000 1.118 24 R CA 1.966 57.969 56.100 -0.160 0.000 0.986 24 R CB -0.246 29.976 30.300 -0.130 0.000 0.884 24 R HN 0.406 nan 8.270 nan 0.000 0.439 25 N N -0.133 118.385 118.700 -0.303 0.000 2.381 25 N HA -0.128 4.623 4.740 0.018 0.000 0.182 25 N C 1.336 176.887 175.510 0.069 0.000 1.025 25 N CA 0.722 53.671 53.050 -0.169 0.000 0.888 25 N CB 0.000 38.240 38.487 -0.412 0.000 0.965 25 N HN 0.203 nan 8.380 nan 0.000 0.438 26 M N 1.208 120.797 119.600 -0.017 0.000 2.074 26 M HA -0.070 4.421 4.480 0.018 0.000 0.259 26 M C 2.056 178.383 176.300 0.044 0.000 1.079 26 M CA 1.439 56.794 55.300 0.091 0.000 1.119 26 M CB -0.940 31.600 32.600 -0.100 0.000 1.297 26 M HN -0.020 nan 8.290 nan 0.000 0.416 27 R N 0.329 120.809 120.500 -0.034 0.000 2.241 27 R HA -0.141 4.210 4.340 0.018 0.000 0.224 27 R C 1.711 178.016 176.300 0.010 0.000 1.101 27 R CA 0.973 57.062 56.100 -0.017 0.000 0.995 27 R CB -0.168 30.109 30.300 -0.038 0.000 0.870 27 R HN 0.325 nan 8.270 nan 0.000 0.463 28 K N 0.134 120.548 120.400 0.023 0.000 2.522 28 K HA 0.016 4.347 4.320 0.018 0.000 0.194 28 K C 0.326 176.969 176.600 0.072 0.000 1.026 28 K CA 0.505 56.815 56.287 0.038 0.000 1.119 28 K CB 0.669 33.184 32.500 0.026 0.000 0.856 28 K HN 0.001 nan 8.250 nan 0.000 0.513 29 V N 0.712 120.678 119.914 0.087 0.000 3.392 29 V HA 0.139 4.269 4.120 0.018 0.000 0.294 29 V C -0.261 175.863 176.094 0.049 0.000 1.561 29 V CA -0.480 61.870 62.300 0.084 0.000 1.056 29 V CB -0.204 31.721 31.823 0.169 0.000 0.882 29 V HN 0.427 nan 8.190 nan 0.000 0.440 30 R N 0.692 121.217 120.500 0.042 0.000 3.333 30 R HA -0.167 4.184 4.340 0.018 0.000 0.256 30 R C 0.780 177.094 176.300 0.023 0.000 1.010 30 R CA 0.571 56.685 56.100 0.023 0.000 0.680 30 R CB -1.776 28.532 30.300 0.014 0.000 1.102 30 R HN 0.593 nan 8.270 nan 0.000 0.440 31 G N 0.852 109.675 108.800 0.039 0.000 2.543 31 G HA2 0.583 4.554 3.960 0.018 0.000 0.290 31 G HA3 0.583 4.554 3.960 0.018 0.000 0.290 31 G C -2.257 172.650 174.900 0.012 0.000 1.310 31 G CA -1.139 43.985 45.100 0.041 0.000 1.025 31 G HN -0.023 nan 8.290 nan 0.000 0.502 32 P HA 0.231 nan 4.420 nan 0.000 0.271 32 P C -2.526 174.734 177.300 -0.066 0.000 1.218 32 P CA -1.163 61.926 63.100 -0.019 0.000 0.780 32 P CB 0.566 32.262 31.700 -0.006 0.000 0.901 33 P HA 0.120 nan 4.420 nan 0.000 0.287 33 P C -0.978 176.214 177.300 -0.181 0.000 1.281 33 P CA -0.187 62.835 63.100 -0.129 0.000 0.781 33 P CB 1.034 32.686 31.700 -0.081 0.000 0.903 34 V N 3.699 123.424 119.914 -0.316 0.000 2.409 34 V HA 0.481 4.612 4.120 0.018 0.000 0.291 34 V C -0.063 175.850 176.094 -0.300 0.000 1.020 34 V CA -0.303 61.753 62.300 -0.407 0.000 0.848 34 V CB 1.373 32.627 31.823 -0.948 0.000 0.990 34 V HN 0.785 nan 8.190 nan 0.000 0.430 35 S N 6.727 122.324 115.700 -0.171 0.000 2.638 35 S HA 0.712 5.192 4.470 0.018 0.000 0.298 35 S C -0.456 174.062 174.600 -0.136 0.000 1.111 35 S CA -0.624 57.504 58.200 -0.120 0.000 1.027 35 S CB 1.557 64.722 63.200 -0.059 0.000 1.064 35 S HN 0.919 nan 8.310 nan 0.000 0.525 36 c N 2.477 120.955 118.600 -0.202 0.000 2.408 36 c HA 0.712 5.293 4.570 0.018 0.000 0.321 36 c C -0.284 173.694 174.090 -0.188 0.000 1.245 36 c CA -0.788 55.378 56.329 -0.272 0.000 1.523 36 c CB -0.306 41.767 42.510 -0.729 0.000 2.178 36 c HN 0.852 nan 8.230 nan 0.000 0.488 37 I N 2.853 123.366 120.570 -0.094 0.000 2.607 37 I HA 0.502 4.683 4.170 0.018 0.000 0.305 37 I C 0.129 176.223 176.117 -0.038 0.000 0.995 37 I CA -0.051 61.223 61.300 -0.044 0.000 1.148 37 I CB 1.045 39.025 38.000 -0.034 0.000 1.323 37 I HN 0.476 nan 8.210 nan 0.000 0.461 38 K N 5.284 125.680 120.400 -0.006 0.000 2.259 38 K HA 0.696 5.027 4.320 0.018 0.000 0.249 38 K C -1.092 175.509 176.600 0.002 0.000 0.942 38 K CA -0.746 55.547 56.287 0.009 0.000 0.816 38 K CB 1.697 34.224 32.500 0.045 0.000 1.155 38 K HN 0.493 nan 8.250 nan 0.000 0.428 39 R N 1.367 121.867 120.500 0.001 0.000 2.709 39 R HA 0.141 4.492 4.340 0.018 0.000 0.270 39 R C -0.419 175.877 176.300 -0.006 0.000 1.038 39 R CA -0.617 55.478 56.100 -0.009 0.000 0.872 39 R CB 0.682 30.966 30.300 -0.026 0.000 1.259 39 R HN 0.627 nan 8.270 nan 0.000 0.473 40 D N 0.350 120.744 120.400 -0.010 0.000 2.347 40 D HA -0.005 4.646 4.640 0.018 0.000 0.213 40 D C 0.410 176.701 176.300 -0.015 0.000 0.985 40 D CA 0.983 54.976 54.000 -0.013 0.000 0.879 40 D CB 0.470 41.262 40.800 -0.015 0.000 0.919 40 D HN 0.472 nan 8.370 nan 0.000 0.526 41 S N -1.369 114.316 115.700 -0.026 0.000 2.567 41 S HA 0.313 4.793 4.470 0.018 0.000 0.270 41 S C -2.542 172.005 174.600 -0.089 0.000 1.152 41 S CA -1.064 57.112 58.200 -0.040 0.000 0.835 41 S CB 2.462 65.628 63.200 -0.056 0.000 1.115 41 S HN -0.356 nan 8.310 nan 0.000 0.459 42 P HA -0.141 nan 4.420 nan 0.000 0.216 42 P C 1.481 178.682 177.300 -0.165 0.000 1.157 42 P CA 1.355 64.304 63.100 -0.252 0.000 0.880 42 P CB -0.278 31.030 31.700 -0.653 0.000 0.791 43 I N -0.893 119.607 120.570 -0.116 0.000 2.546 43 I HA -0.107 4.074 4.170 0.018 0.000 0.255 43 I C 2.329 178.363 176.117 -0.137 0.000 1.163 43 I CA 1.143 62.380 61.300 -0.105 0.000 1.457 43 I CB -1.823 36.158 38.000 -0.032 0.000 1.092 43 I HN 0.110 nan 8.210 nan 0.000 0.434 44 Q N 0.173 119.915 119.800 -0.098 0.000 2.119 44 Q HA -0.140 4.210 4.340 0.018 0.000 0.201 44 Q C 2.582 178.519 176.000 -0.105 0.000 0.972 44 Q CA 1.553 57.308 55.803 -0.080 0.000 0.847 44 Q CB -0.101 28.605 28.738 -0.054 0.000 0.903 44 Q HN 0.490 nan 8.270 nan 0.000 0.433 45 c N 0.501 119.032 118.600 -0.115 0.000 2.432 45 c HA -0.122 4.459 4.570 0.018 0.000 0.277 45 c C 2.593 176.577 174.090 -0.176 0.000 1.249 45 c CA 0.513 56.763 56.329 -0.131 0.000 1.725 45 c CB -0.845 41.594 42.510 -0.118 0.000 2.028 45 c HN 0.470 nan 8.230 nan 0.000 0.477 46 I N 0.175 120.614 120.570 -0.218 0.000 2.163 46 I HA -0.263 3.918 4.170 0.018 0.000 0.243 46 I C 2.667 178.542 176.117 -0.404 0.000 1.085 46 I CA 1.548 62.644 61.300 -0.340 0.000 1.347 46 I CB -0.716 37.027 38.000 -0.429 0.000 1.044 46 I HN 0.323 nan 8.210 nan 0.000 0.408 47 Q N 0.942 120.537 119.800 -0.342 0.000 2.061 47 Q HA -0.178 4.173 4.340 0.018 0.000 0.204 47 Q C 2.280 178.220 176.000 -0.099 0.000 0.984 47 Q CA 2.362 58.053 55.803 -0.188 0.000 0.846 47 Q CB -0.463 28.221 28.738 -0.090 0.000 0.902 47 Q HN 0.534 nan 8.270 nan 0.000 0.421 48 A N 0.302 123.062 122.820 -0.101 0.000 1.849 48 A HA -0.246 4.085 4.320 0.018 0.000 0.217 48 A C 2.123 179.655 177.584 -0.086 0.000 1.202 48 A CA 1.915 53.906 52.037 -0.078 0.000 0.629 48 A CB -1.126 17.823 19.000 -0.084 0.000 0.834 48 A HN 0.447 nan 8.150 nan 0.000 0.447 49 I N -0.129 120.368 120.570 -0.122 0.000 2.145 49 I HA -0.372 3.809 4.170 0.018 0.000 0.244 49 I C 2.857 178.927 176.117 -0.078 0.000 1.075 49 I CA 1.485 62.714 61.300 -0.119 0.000 1.332 49 I CB -0.322 37.586 38.000 -0.153 0.000 1.033 49 I HN 0.387 nan 8.210 nan 0.000 0.410 50 A N -0.267 122.513 122.820 -0.067 0.000 2.067 50 A HA -0.139 4.192 4.320 0.018 0.000 0.219 50 A C 1.817 179.411 177.584 0.017 0.000 1.158 50 A CA 1.325 53.364 52.037 0.004 0.000 0.661 50 A CB -0.391 18.668 19.000 0.099 0.000 0.801 50 A HN 0.490 nan 8.150 nan 0.000 0.452 51 E N -0.316 119.883 120.200 -0.002 0.000 2.496 51 E HA 0.133 4.494 4.350 0.018 0.000 0.200 51 E C -0.171 176.422 176.600 -0.011 0.000 1.016 51 E CA -0.390 56.011 56.400 0.003 0.000 0.962 51 E CB 0.009 29.712 29.700 0.005 0.000 1.071 51 E HN 0.455 nan 8.360 nan 0.000 0.457 52 N N 1.331 120.018 118.700 -0.022 0.000 2.708 52 N HA -0.234 4.517 4.740 0.018 0.000 0.251 52 N C 0.195 175.688 175.510 -0.029 0.000 1.123 52 N CA 0.693 53.727 53.050 -0.027 0.000 0.739 52 N CB -0.422 38.055 38.487 -0.017 0.000 1.113 52 N HN 0.382 nan 8.380 nan 0.000 0.561 53 R N -0.487 119.993 120.500 -0.034 0.000 2.334 53 R HA 0.460 4.811 4.340 0.018 0.000 0.220 53 R C 0.667 176.941 176.300 -0.043 0.000 0.917 53 R CA 0.673 56.754 56.100 -0.032 0.000 1.073 53 R CB 0.759 31.043 30.300 -0.026 0.000 1.056 53 R HN 0.233 nan 8.270 nan 0.000 0.506 54 A N 0.556 123.339 122.820 -0.061 0.000 2.586 54 A HA 0.315 4.646 4.320 0.018 0.000 0.291 54 A C -1.096 176.425 177.584 -0.106 0.000 1.062 54 A CA -0.846 51.141 52.037 -0.083 0.000 0.666 54 A CB 1.064 20.001 19.000 -0.105 0.000 1.281 54 A HN 0.047 nan 8.150 nan 0.000 0.421 55 D N -0.281 120.038 120.400 -0.135 0.000 2.469 55 D HA 0.426 5.077 4.640 0.018 0.000 0.240 55 D C 0.684 176.817 176.300 -0.279 0.000 1.087 55 D CA 1.239 55.148 54.000 -0.152 0.000 0.876 55 D CB 1.120 41.865 40.800 -0.091 0.000 1.160 55 D HN 0.890 nan 8.370 nan 0.000 0.497 56 A N 0.582 123.106 122.820 -0.493 0.000 2.569 56 A HA 0.685 5.016 4.320 0.018 0.000 0.290 56 A C -1.539 175.396 177.584 -1.082 0.000 1.136 56 A CA -0.684 50.866 52.037 -0.811 0.000 0.710 56 A CB 2.631 20.913 19.000 -1.197 0.000 1.303 56 A HN -0.014 nan 8.150 nan 0.000 0.413 57 V N -0.042 119.371 119.914 -0.836 0.000 3.036 57 V HA 0.571 4.702 4.120 0.018 0.000 0.288 57 V C -1.106 174.900 176.094 -0.146 0.000 1.407 57 V CA -0.199 61.788 62.300 -0.523 0.000 0.983 57 V CB 2.274 33.926 31.823 -0.285 0.000 1.128 57 V HN 1.143 nan 8.190 nan 0.000 0.439 58 T N 7.607 122.236 114.554 0.125 0.000 2.728 58 T HA 0.646 5.007 4.350 0.018 0.000 0.296 58 T C -0.602 174.200 174.700 0.171 0.000 0.940 58 T CA -0.182 62.090 62.100 0.286 0.000 1.013 58 T CB 0.747 69.910 68.868 0.492 0.000 0.912 58 T HN 0.394 nan 8.240 nan 0.000 0.484 59 L N 2.722 124.033 121.223 0.146 0.000 2.319 59 L HA 0.550 4.901 4.340 0.018 0.000 0.267 59 L C 0.227 177.138 176.870 0.068 0.000 1.011 59 L CA -1.019 53.877 54.840 0.094 0.000 0.818 59 L CB 1.764 43.908 42.059 0.142 0.000 1.316 59 L HN 0.653 nan 8.230 nan 0.000 0.432 60 D N -0.293 120.136 120.400 0.048 0.000 2.329 60 D HA 0.337 4.988 4.640 0.018 0.000 0.246 60 D C 1.327 177.858 176.300 0.385 0.000 1.111 60 D CA 0.393 54.424 54.000 0.053 0.000 0.941 60 D CB 1.513 42.420 40.800 0.179 0.000 1.169 60 D HN 0.650 nan 8.370 nan 0.000 0.441 61 G N 1.672 110.770 108.800 0.496 0.000 2.547 61 G HA2 -0.318 3.653 3.960 0.018 0.000 0.221 61 G HA3 -0.318 3.653 3.960 0.018 0.000 0.221 61 G C 1.415 176.585 174.900 0.449 0.000 1.140 61 G CA 0.972 46.410 45.100 0.563 0.000 0.760 61 G HN 0.644 nan 8.290 nan 0.000 0.583 62 G N 0.190 109.215 108.800 0.376 0.000 2.469 62 G HA2 -0.148 3.823 3.960 0.018 0.000 0.219 62 G HA3 -0.148 3.823 3.960 0.018 0.000 0.219 62 G C 1.549 176.366 174.900 -0.137 0.000 1.150 62 G CA 0.953 46.101 45.100 0.079 0.000 0.763 62 G HN 0.431 nan 8.290 nan 0.000 0.561 63 F N 0.236 120.303 119.950 0.195 0.000 2.569 63 F HA 0.332 4.870 4.527 0.018 0.000 0.295 63 F C 2.434 178.304 175.800 0.117 0.000 1.115 63 F CA -0.156 57.917 58.000 0.122 0.000 1.450 63 F CB 0.011 39.048 39.000 0.062 0.000 1.107 63 F HN 0.052 nan 8.300 nan 0.000 0.563 64 I N -0.904 119.842 120.570 0.294 0.000 2.226 64 I HA -0.329 3.852 4.170 0.018 0.000 0.245 64 I C 2.421 178.643 176.117 0.175 0.000 1.100 64 I CA 1.366 62.783 61.300 0.195 0.000 1.374 64 I CB -0.573 37.547 38.000 0.200 0.000 1.057 64 I HN 0.138 nan 8.210 nan 0.000 0.413 65 Y N 2.381 122.757 120.300 0.127 0.000 2.014 65 Y HA -0.374 4.187 4.550 0.018 0.000 0.270 65 Y C 2.554 178.513 175.900 0.098 0.000 1.145 65 Y CA 2.193 60.364 58.100 0.117 0.000 1.106 65 Y CB -0.484 37.982 38.460 0.010 0.000 0.968 65 Y HN 0.039 nan 8.280 nan 0.000 0.484 66 E N 0.375 120.572 120.200 -0.005 0.000 2.065 66 E HA -0.275 4.086 4.350 0.018 0.000 0.201 66 E C 2.322 178.944 176.600 0.037 0.000 1.016 66 E CA 1.875 58.278 56.400 0.006 0.000 0.818 66 E CB -0.934 28.807 29.700 0.069 0.000 0.749 66 E HN 0.581 nan 8.360 nan 0.000 0.453 67 A N -0.323 122.534 122.820 0.061 0.000 2.019 67 A HA -0.031 4.300 4.320 0.018 0.000 0.219 67 A C 2.370 179.994 177.584 0.067 0.000 1.164 67 A CA 1.722 53.791 52.037 0.053 0.000 0.644 67 A CB -0.876 18.136 19.000 0.019 0.000 0.805 67 A HN 0.359 nan 8.150 nan 0.000 0.449 68 G N -0.387 108.405 108.800 -0.013 0.000 2.448 68 G HA2 0.123 4.094 3.960 0.018 0.000 0.218 68 G HA3 0.123 4.094 3.960 0.018 0.000 0.218 68 G C 0.790 175.668 174.900 -0.035 0.000 1.135 68 G CA 0.077 45.160 45.100 -0.030 0.000 0.784 68 G HN 0.431 nan 8.290 nan 0.000 0.543 69 L N 0.756 121.925 121.223 -0.089 0.000 2.492 69 L HA 0.304 4.654 4.340 0.018 0.000 0.280 69 L C 1.158 177.967 176.870 -0.102 0.000 1.240 69 L CA -0.463 54.311 54.840 -0.110 0.000 0.831 69 L CB 0.187 42.160 42.059 -0.143 0.000 1.100 69 L HN 0.179 nan 8.230 nan 0.000 0.505 70 A N 3.065 125.787 122.820 -0.165 0.000 2.351 70 A HA 0.388 4.719 4.320 0.018 0.000 0.257 70 A C -1.600 175.685 177.584 -0.498 0.000 1.087 70 A CA -0.968 50.932 52.037 -0.229 0.000 0.798 70 A CB -0.049 18.865 19.000 -0.144 0.000 1.033 70 A HN 0.663 nan 8.150 nan 0.000 0.488 71 P HA 0.113 nan 4.420 nan 0.000 0.254 71 P C -0.209 176.977 177.300 -0.190 0.000 1.494 71 P CA 0.284 63.164 63.100 -0.367 0.000 0.961 71 P CB 0.057 31.579 31.700 -0.296 0.000 1.493 72 Y N 1.490 121.767 120.300 -0.040 0.000 2.170 72 Y HA 0.068 4.629 4.550 0.018 0.000 0.280 72 Y C 1.293 177.164 175.900 -0.047 0.000 1.097 72 Y CA 0.210 58.284 58.100 -0.042 0.000 1.087 72 Y CB -1.198 37.235 38.460 -0.045 0.000 1.016 72 Y HN -0.102 nan 8.280 nan 0.000 0.485 73 K N -0.037 120.445 120.400 0.137 0.000 3.150 73 K HA -0.172 4.159 4.320 0.018 0.000 0.267 73 K C -0.937 175.679 176.600 0.026 0.000 1.028 73 K CA 0.345 56.656 56.287 0.040 0.000 0.753 73 K CB -2.257 30.248 32.500 0.008 0.000 1.288 73 K HN 0.214 nan 8.250 nan 0.000 0.473 74 L N 0.054 121.293 121.223 0.027 0.000 2.399 74 L HA 0.419 4.770 4.340 0.018 0.000 0.266 74 L C 0.756 177.605 176.870 -0.035 0.000 1.114 74 L CA -0.640 54.190 54.840 -0.016 0.000 0.804 74 L CB 1.407 43.445 42.059 -0.036 0.000 1.146 74 L HN 0.251 nan 8.230 nan 0.000 0.451 75 R N 2.712 123.178 120.500 -0.056 0.000 2.599 75 R HA 0.439 4.789 4.340 0.018 0.000 0.295 75 R C -2.586 173.651 176.300 -0.105 0.000 0.963 75 R CA -1.768 54.287 56.100 -0.074 0.000 0.883 75 R CB 2.240 32.500 30.300 -0.067 0.000 1.171 75 R HN 0.243 nan 8.270 nan 0.000 0.450 76 P HA 0.009 nan 4.420 nan 0.000 0.276 76 P C 0.286 177.497 177.300 -0.148 0.000 1.235 76 P CA -0.133 62.832 63.100 -0.226 0.000 0.772 76 P CB 1.146 32.525 31.700 -0.535 0.000 0.871 77 V N 0.309 120.174 119.914 -0.081 0.000 3.484 77 V HA 0.655 4.786 4.120 0.018 0.000 0.252 77 V C 0.531 176.633 176.094 0.012 0.000 1.282 77 V CA 0.456 62.730 62.300 -0.044 0.000 1.104 77 V CB -0.442 31.389 31.823 0.015 0.000 0.868 77 V HN 0.534 nan 8.190 nan 0.000 0.457 78 A N 0.193 123.081 122.820 0.113 0.000 2.459 78 A HA 0.936 5.267 4.320 0.018 0.000 0.296 78 A C -0.503 177.292 177.584 0.351 0.000 1.039 78 A CA 0.052 52.258 52.037 0.283 0.000 0.698 78 A CB 1.532 20.762 19.000 0.384 0.000 1.261 78 A HN 1.230 nan 8.150 nan 0.000 0.405 79 A N 1.766 124.849 122.820 0.437 0.000 2.325 79 A HA 0.723 5.053 4.320 0.018 0.000 0.333 79 A C -0.026 177.788 177.584 0.384 0.000 1.155 79 A CA -0.524 51.790 52.037 0.461 0.000 0.814 79 A CB 0.454 19.805 19.000 0.585 0.000 1.206 79 A HN 0.826 nan 8.150 nan 0.000 0.482 80 E N 0.120 120.461 120.200 0.236 0.000 2.392 80 E HA 0.414 4.774 4.350 0.018 0.000 0.259 80 E C -0.717 175.583 176.600 -0.499 0.000 1.108 80 E CA -0.317 56.019 56.400 -0.106 0.000 0.916 80 E CB 1.101 30.731 29.700 -0.117 0.000 0.989 80 E HN 0.381 nan 8.360 nan 0.000 0.432 81 V N 2.148 121.687 119.914 -0.625 0.000 2.715 81 V HA 0.333 4.464 4.120 0.018 0.000 0.310 81 V C -0.869 174.814 176.094 -0.686 0.000 1.054 81 V CA -0.664 61.281 62.300 -0.591 0.000 0.928 81 V CB 0.684 32.314 31.823 -0.323 0.000 1.007 81 V HN 0.551 nan 8.190 nan 0.000 0.437 82 Y N 0.775 120.937 120.300 -0.230 0.000 2.968 82 Y HA 0.848 5.409 4.550 0.018 0.000 0.316 82 Y C 1.269 177.043 175.900 -0.210 0.000 1.359 82 Y CA -0.139 57.810 58.100 -0.251 0.000 1.107 82 Y CB 0.161 38.474 38.460 -0.244 0.000 1.374 82 Y HN 0.924 nan 8.280 nan 0.000 0.621 83 G N 0.221 109.034 108.800 0.022 0.000 2.583 83 G HA2 -0.092 3.879 3.960 0.018 0.000 0.292 83 G HA3 -0.092 3.879 3.960 0.018 0.000 0.292 83 G C -0.270 174.590 174.900 -0.067 0.000 1.203 83 G CA 0.468 45.548 45.100 -0.033 0.000 0.987 83 G HN 1.240 nan 8.290 nan 0.000 0.554 84 T N -2.391 112.122 114.554 -0.068 0.000 2.864 84 T HA 0.658 5.019 4.350 0.018 0.000 0.299 84 T C 1.024 175.684 174.700 -0.068 0.000 1.166 84 T CA 0.475 62.531 62.100 -0.074 0.000 1.007 84 T CB 1.974 70.804 68.868 -0.064 0.000 1.219 84 T HN 0.919 nan 8.240 nan 0.000 0.506 85 E N 0.708 120.869 120.200 -0.065 0.000 2.301 85 E HA -0.293 4.068 4.350 0.018 0.000 0.224 85 E C 0.815 177.391 176.600 -0.040 0.000 1.092 85 E CA 1.788 58.157 56.400 -0.052 0.000 0.913 85 E CB -0.198 29.478 29.700 -0.041 0.000 0.776 85 E HN 0.612 nan 8.360 nan 0.000 0.465 86 R N -0.234 120.244 120.500 -0.037 0.000 2.680 86 R HA 0.230 4.581 4.340 0.018 0.000 0.278 86 R C -1.059 175.223 176.300 -0.030 0.000 1.582 86 R CA 0.058 56.141 56.100 -0.028 0.000 1.177 86 R CB 0.454 30.743 30.300 -0.019 0.000 1.232 86 R HN 0.070 nan 8.270 nan 0.000 0.528 87 Q N 1.726 121.505 119.800 -0.034 0.000 2.107 87 Q HA -0.009 4.342 4.340 0.018 0.000 0.253 87 Q C -2.696 173.276 176.000 -0.047 0.000 0.681 87 Q CA -0.323 55.462 55.803 -0.031 0.000 1.334 87 Q CB 0.148 28.871 28.738 -0.026 0.000 0.973 87 Q HN 0.474 nan 8.270 nan 0.000 0.834 88 P HA 0.217 nan 4.420 nan 0.000 0.275 88 P C -0.951 176.284 177.300 -0.108 0.000 1.228 88 P CA 0.133 63.180 63.100 -0.089 0.000 0.786 88 P CB 0.739 32.393 31.700 -0.076 0.000 0.927 89 R N -0.874 119.527 120.500 -0.165 0.000 2.579 89 R HA 0.453 4.804 4.340 0.018 0.000 0.260 89 R C -0.360 175.763 176.300 -0.295 0.000 1.103 89 R CA -0.806 55.152 56.100 -0.237 0.000 0.942 89 R CB -0.053 30.026 30.300 -0.369 0.000 1.251 89 R HN 0.341 nan 8.270 nan 0.000 0.450 90 T N -0.795 113.617 114.554 -0.237 0.000 3.268 90 T HA 0.263 4.624 4.350 0.018 0.000 0.244 90 T C 0.050 174.722 174.700 -0.048 0.000 0.915 90 T CA -0.308 61.677 62.100 -0.192 0.000 0.935 90 T CB -0.820 67.968 68.868 -0.133 0.000 1.110 90 T HN 0.783 nan 8.240 nan 0.000 0.573 91 H N -1.030 118.033 119.070 -0.012 0.000 3.003 91 H HA 0.503 5.069 4.556 0.017 0.000 0.327 91 H C -1.751 173.601 175.328 0.040 0.000 1.353 91 H CA -1.266 54.751 56.048 -0.050 0.000 1.142 91 H CB 0.664 30.268 29.762 -0.264 0.000 1.864 91 H HN 0.285 nan 8.280 nan 0.000 0.529 92 Y N -0.917 119.298 120.300 -0.141 0.000 2.715 92 Y HA 0.655 5.216 4.550 0.017 0.000 0.331 92 Y C -1.933 173.526 175.900 -0.735 0.000 1.197 92 Y CA -1.649 56.208 58.100 -0.404 0.000 1.079 92 Y CB 0.844 39.127 38.460 -0.296 0.000 1.298 92 Y HN 0.447 nan 8.280 nan 0.000 0.477 93 Y N 1.163 121.492 120.300 0.047 0.000 2.342 93 Y HA 0.685 5.245 4.550 0.017 0.000 0.338 93 Y C 0.176 176.122 175.900 0.078 0.000 0.965 93 Y CA -1.272 56.804 58.100 -0.040 0.000 1.159 93 Y CB 1.468 39.898 38.460 -0.050 0.000 1.157 93 Y HN 0.876 nan 8.280 nan 0.000 0.486 94 A N 4.264 127.190 122.820 0.177 0.000 2.396 94 A HA 0.575 4.906 4.320 0.018 0.000 0.279 94 A C -0.053 177.699 177.584 0.281 0.000 1.165 94 A CA -0.332 51.843 52.037 0.230 0.000 0.824 94 A CB -0.608 18.478 19.000 0.144 0.000 1.100 94 A HN 0.658 nan 8.150 nan 0.000 0.516 95 V N -0.514 119.547 119.914 0.244 0.000 3.103 95 V HA 0.948 5.079 4.120 0.018 0.000 0.318 95 V C 0.157 176.361 176.094 0.183 0.000 1.114 95 V CA -0.606 61.819 62.300 0.209 0.000 1.020 95 V CB 1.688 33.587 31.823 0.127 0.000 1.085 95 V HN 1.422 nan 8.190 nan 0.000 0.446 96 A N 1.634 124.527 122.820 0.122 0.000 2.328 96 A HA 0.763 5.094 4.320 0.018 0.000 0.318 96 A C -0.568 176.964 177.584 -0.087 0.000 1.347 96 A CA -0.513 51.507 52.037 -0.030 0.000 0.842 96 A CB 0.548 19.595 19.000 0.078 0.000 1.148 96 A HN 1.082 nan 8.150 nan 0.000 0.499 97 V N 3.466 123.289 119.914 -0.153 0.000 2.439 97 V HA 0.589 4.720 4.120 0.018 0.000 0.282 97 V C 0.374 176.445 176.094 -0.039 0.000 1.039 97 V CA -0.248 62.002 62.300 -0.082 0.000 0.913 97 V CB 0.968 32.728 31.823 -0.106 0.000 0.983 97 V HN 0.925 nan 8.190 nan 0.000 0.460 98 V N 1.971 121.894 119.914 0.016 0.000 3.160 98 V HA 0.680 4.811 4.120 0.018 0.000 0.310 98 V C -0.642 175.462 176.094 0.015 0.000 1.181 98 V CA -1.364 60.942 62.300 0.010 0.000 1.047 98 V CB 2.065 33.818 31.823 -0.117 0.000 1.068 98 V HN 0.723 nan 8.190 nan 0.000 0.441 99 K N 0.905 121.240 120.400 -0.107 0.000 2.118 99 K HA 0.494 4.824 4.320 0.018 0.000 0.267 99 K C -0.469 175.972 176.600 -0.265 0.000 0.991 99 K CA -0.635 55.458 56.287 -0.324 0.000 0.916 99 K CB 1.376 33.682 32.500 -0.324 0.000 1.041 99 K HN 0.594 nan 8.250 nan 0.000 0.455 100 K N 0.238 120.477 120.400 -0.267 0.000 2.237 100 K HA 0.190 4.521 4.320 0.018 0.000 0.270 100 K C 0.753 177.253 176.600 -0.167 0.000 1.015 100 K CA 0.551 56.723 56.287 -0.192 0.000 0.949 100 K CB 1.090 33.503 32.500 -0.145 0.000 0.976 100 K HN 0.897 nan 8.250 nan 0.000 0.472 101 G N 1.264 109.980 108.800 -0.139 0.000 2.909 101 G HA2 -0.166 3.805 3.960 0.018 0.000 0.198 101 G HA3 -0.166 3.805 3.960 0.018 0.000 0.198 101 G C 0.419 175.262 174.900 -0.094 0.000 1.124 101 G CA -0.348 44.691 45.100 -0.101 0.000 0.796 101 G HN 0.832 nan 8.290 nan 0.000 0.489 102 G N 0.078 108.797 108.800 -0.135 0.000 2.562 102 G HA2 0.591 4.562 3.960 0.018 0.000 0.275 102 G HA3 0.591 4.562 3.960 0.018 0.000 0.275 102 G C -0.142 174.628 174.900 -0.216 0.000 1.196 102 G CA 0.814 45.836 45.100 -0.131 0.000 0.908 102 G HN 1.364 nan 8.290 nan 0.000 0.524 103 S N -0.415 115.190 115.700 -0.159 0.000 2.720 103 S HA 0.650 5.131 4.470 0.018 0.000 0.278 103 S C -1.174 173.417 174.600 -0.015 0.000 1.172 103 S CA -0.666 57.455 58.200 -0.132 0.000 1.019 103 S CB 1.066 64.240 63.200 -0.042 0.000 1.049 103 S HN 1.223 nan 8.310 nan 0.000 0.483 104 F N -0.578 119.368 119.950 -0.006 0.000 2.660 104 F HA 0.625 5.163 4.527 0.018 0.000 0.320 104 F C -1.123 174.678 175.800 0.001 0.000 1.099 104 F CA -0.940 57.057 58.000 -0.003 0.000 1.061 104 F CB 0.577 39.574 39.000 -0.005 0.000 1.300 104 F HN 0.315 nan 8.300 nan 0.000 0.479 105 Q N 2.056 122.004 119.800 0.248 0.000 2.207 105 Q HA 0.429 4.780 4.340 0.018 0.000 0.237 105 Q C 0.841 176.965 176.000 0.207 0.000 0.998 105 Q CA -0.894 55.006 55.803 0.161 0.000 0.951 105 Q CB 1.931 30.725 28.738 0.092 0.000 1.213 105 Q HN 1.045 nan 8.270 nan 0.000 0.499 106 L N 1.359 122.672 121.223 0.151 0.000 2.549 106 L HA -0.124 4.227 4.340 0.018 0.000 0.229 106 L C 1.039 177.898 176.870 -0.019 0.000 1.158 106 L CA 1.572 56.497 54.840 0.141 0.000 0.842 106 L CB -0.349 41.802 42.059 0.153 0.000 0.952 106 L HN 0.681 nan 8.230 nan 0.000 0.452 107 N N -2.203 116.469 118.700 -0.047 0.000 2.270 107 N HA 0.006 4.757 4.740 0.018 0.000 0.198 107 N C 0.270 175.649 175.510 -0.217 0.000 1.117 107 N CA -0.032 52.865 53.050 -0.254 0.000 0.845 107 N CB 0.193 38.709 38.487 0.047 0.000 0.980 107 N HN 0.371 nan 8.380 nan 0.000 0.486 108 E N 0.586 120.745 120.200 -0.069 0.000 3.575 108 E HA 0.235 4.596 4.350 0.018 0.000 0.201 108 E C 0.091 176.625 176.600 -0.111 0.000 0.999 108 E CA -0.113 56.267 56.400 -0.033 0.000 1.315 108 E CB 0.617 30.362 29.700 0.076 0.000 1.146 108 E HN 0.322 nan 8.360 nan 0.000 0.453 109 L N 0.584 121.731 121.223 -0.126 0.000 2.693 109 L HA 0.175 4.526 4.340 0.018 0.000 0.235 109 L C 0.902 177.481 176.870 -0.485 0.000 1.127 109 L CA 0.175 54.916 54.840 -0.164 0.000 0.914 109 L CB 0.274 42.453 42.059 0.200 0.000 1.193 109 L HN 0.305 nan 8.230 nan 0.000 0.502 110 Q N 0.916 120.316 119.800 -0.667 0.000 2.289 110 Q HA 0.193 4.544 4.340 0.018 0.000 0.273 110 Q C 1.055 176.710 176.000 -0.574 0.000 1.029 110 Q CA 0.949 56.085 55.803 -1.111 0.000 0.896 110 Q CB 0.675 29.178 28.738 -0.392 0.000 1.182 110 Q HN 0.353 nan 8.270 nan 0.000 0.385 111 G N 2.910 111.392 108.800 -0.531 0.000 2.153 111 G HA2 -0.258 3.712 3.960 0.018 0.000 0.252 111 G HA3 -0.258 3.712 3.960 0.018 0.000 0.252 111 G C -0.482 174.322 174.900 -0.160 0.000 0.994 111 G CA 0.302 45.267 45.100 -0.226 0.000 0.698 111 G HN 0.495 nan 8.290 nan 0.000 0.521 112 L N -0.620 120.527 121.223 -0.126 0.000 2.376 112 L HA 0.802 5.153 4.340 0.018 0.000 0.267 112 L C 0.542 177.429 176.870 0.030 0.000 1.035 112 L CA -0.725 54.048 54.840 -0.111 0.000 0.800 112 L CB 1.197 43.073 42.059 -0.306 0.000 1.290 112 L HN 0.146 nan 8.230 nan 0.000 0.462 113 K N -0.177 120.196 120.400 -0.045 0.000 2.182 113 K HA 0.653 4.984 4.320 0.018 0.000 0.262 113 K C -0.961 175.561 176.600 -0.130 0.000 0.957 113 K CA -0.435 55.828 56.287 -0.040 0.000 0.842 113 K CB 1.620 34.116 32.500 -0.008 0.000 1.099 113 K HN 0.640 nan 8.250 nan 0.000 0.438 114 S N 0.280 115.852 115.700 -0.215 0.000 2.542 114 S HA 0.622 5.103 4.470 0.018 0.000 0.293 114 S C -0.743 173.891 174.600 0.056 0.000 1.089 114 S CA -0.893 57.184 58.200 -0.205 0.000 0.961 114 S CB 0.955 63.866 63.200 -0.482 0.000 1.062 114 S HN 0.591 nan 8.310 nan 0.000 0.483 115 c N 3.358 121.990 118.600 0.052 0.000 2.346 115 c HA 0.607 5.188 4.570 0.018 0.000 0.326 115 c C -0.183 173.980 174.090 0.122 0.000 1.224 115 c CA -0.675 55.726 56.329 0.120 0.000 1.408 115 c CB -0.620 41.848 42.510 -0.071 0.000 2.089 115 c HN 0.910 nan 8.230 nan 0.000 0.456 116 H N 1.268 120.440 119.070 0.171 0.000 2.472 116 H HA 0.235 4.802 4.556 0.018 0.000 0.338 116 H C 1.102 176.516 175.328 0.142 0.000 1.133 116 H CA 0.024 56.223 56.048 0.250 0.000 1.216 116 H CB 2.112 32.059 29.762 0.309 0.000 1.497 116 H HN 0.754 nan 8.280 nan 0.000 0.500 117 T N 0.335 114.995 114.554 0.176 0.000 2.867 117 T HA 0.122 4.483 4.350 0.018 0.000 0.268 117 T C 0.994 175.686 174.700 -0.013 0.000 1.057 117 T CA 0.635 62.708 62.100 -0.044 0.000 1.136 117 T CB 0.196 68.923 68.868 -0.235 0.000 0.874 117 T HN 0.823 nan 8.240 nan 0.000 0.466 118 G N 0.169 109.101 108.800 0.220 0.000 2.358 118 G HA2 0.394 4.365 3.960 0.018 0.000 0.303 118 G HA3 0.394 4.365 3.960 0.018 0.000 0.303 118 G C -1.829 173.286 174.900 0.358 0.000 1.537 118 G CA -0.881 44.435 45.100 0.360 0.000 0.928 118 G HN 0.420 nan 8.290 nan 0.000 0.656 119 L N 0.825 122.174 121.223 0.210 0.000 2.410 119 L HA 0.713 5.064 4.340 0.018 0.000 0.273 119 L C 1.467 178.254 176.870 -0.137 0.000 1.152 119 L CA 0.733 55.378 54.840 -0.325 0.000 0.855 119 L CB 0.627 42.390 42.059 -0.493 0.000 1.129 119 L HN 0.957 nan 8.230 nan 0.000 0.463 120 R N 0.953 121.350 120.500 -0.172 0.000 3.426 120 R HA -0.134 4.216 4.340 0.018 0.000 0.478 120 R C -0.090 176.274 176.300 0.107 0.000 0.673 120 R CA 1.241 57.320 56.100 -0.034 0.000 1.455 120 R CB -0.967 29.116 30.300 -0.362 0.000 2.122 120 R HN 0.651 nan 8.270 nan 0.000 0.418 121 R N 0.127 120.826 120.500 0.332 0.000 2.615 121 R HA 0.221 4.572 4.340 0.018 0.000 0.270 121 R C 0.924 177.453 176.300 0.381 0.000 1.081 121 R CA 0.501 56.840 56.100 0.399 0.000 1.154 121 R CB 0.419 30.944 30.300 0.376 0.000 1.063 121 R HN 0.090 nan 8.270 nan 0.000 0.519 122 T N 1.697 116.494 114.554 0.405 0.000 2.520 122 T HA -0.196 4.165 4.350 0.018 0.000 0.258 122 T C 1.772 176.639 174.700 0.278 0.000 1.125 122 T CA 1.963 64.284 62.100 0.368 0.000 1.206 122 T CB -0.253 68.822 68.868 0.345 0.000 0.864 122 T HN 0.746 nan 8.240 nan 0.000 0.400 123 A N 0.881 123.902 122.820 0.335 0.000 2.066 123 A HA 0.260 4.591 4.320 0.018 0.000 0.218 123 A C 2.479 180.229 177.584 0.278 0.000 1.157 123 A CA 1.596 53.814 52.037 0.301 0.000 0.670 123 A CB -1.061 18.200 19.000 0.434 0.000 0.804 123 A HN 0.541 nan 8.150 nan 0.000 0.453 124 G N -2.042 106.935 108.800 0.295 0.000 2.396 124 G HA2 -0.080 3.890 3.960 0.018 0.000 0.214 124 G HA3 -0.080 3.890 3.960 0.018 0.000 0.214 124 G C 1.400 176.538 174.900 0.397 0.000 1.166 124 G CA 0.901 46.181 45.100 0.299 0.000 0.793 124 G HN 0.609 nan 8.290 nan 0.000 0.533 125 W N 0.165 121.546 121.300 0.135 0.000 4.019 125 W HA 0.046 4.717 4.660 0.018 0.000 0.212 125 W C 1.915 178.452 176.519 0.030 0.000 0.900 125 W CA 0.237 57.643 57.345 0.102 0.000 2.352 125 W CB -0.114 29.409 29.460 0.106 0.000 1.066 125 W HN 0.097 nan 8.180 nan 0.000 0.765 126 N N 1.352 120.168 118.700 0.193 0.000 2.069 126 N HA -0.219 4.532 4.740 0.018 0.000 0.196 126 N C 1.480 176.985 175.510 -0.008 0.000 1.024 126 N CA 2.528 55.621 53.050 0.072 0.000 0.869 126 N CB -1.063 37.579 38.487 0.258 0.000 1.035 126 N HN 0.044 nan 8.380 nan 0.000 0.434 127 V N 1.904 121.833 119.914 0.024 0.000 2.273 127 V HA -0.075 4.056 4.120 0.018 0.000 0.242 127 V C -0.659 175.363 176.094 -0.120 0.000 1.035 127 V CA 1.617 63.908 62.300 -0.016 0.000 1.013 127 V CB -1.275 30.558 31.823 0.017 0.000 0.652 127 V HN 0.296 nan 8.190 nan 0.000 0.452 128 P HA -0.144 nan 4.420 nan 0.000 0.216 128 P C 1.722 178.773 177.300 -0.416 0.000 1.153 128 P CA 1.587 64.406 63.100 -0.469 0.000 0.848 128 P CB -0.009 30.952 31.700 -1.232 0.000 0.787 129 I N 0.552 120.822 120.570 -0.499 0.000 2.202 129 I HA -0.070 4.111 4.170 0.018 0.000 0.242 129 I C 2.832 178.724 176.117 -0.375 0.000 1.091 129 I CA 1.546 62.503 61.300 -0.571 0.000 1.368 129 I CB -2.372 34.967 38.000 -1.102 0.000 1.058 129 I HN 0.012 nan 8.210 nan 0.000 0.410 130 G N -0.122 108.505 108.800 -0.289 0.000 2.442 130 G HA2 -0.235 3.736 3.960 0.018 0.000 0.219 130 G HA3 -0.235 3.736 3.960 0.018 0.000 0.219 130 G C 1.718 176.550 174.900 -0.114 0.000 1.141 130 G CA 1.409 46.408 45.100 -0.169 0.000 0.763 130 G HN 0.332 nan 8.290 nan 0.000 0.554 131 T N 0.717 115.209 114.554 -0.102 0.000 2.904 131 T HA 0.066 4.427 4.350 0.018 0.000 0.267 131 T C 2.061 176.767 174.700 0.010 0.000 1.059 131 T CA 0.572 62.654 62.100 -0.030 0.000 1.137 131 T CB -0.089 68.781 68.868 0.003 0.000 0.879 131 T HN 0.157 nan 8.240 nan 0.000 0.467 132 L N 0.304 121.504 121.223 -0.038 0.000 2.628 132 L HA 0.288 4.639 4.340 0.018 0.000 0.229 132 L C 2.386 179.225 176.870 -0.052 0.000 1.137 132 L CA -0.158 54.724 54.840 0.070 0.000 0.909 132 L CB -0.217 41.777 42.059 -0.108 0.000 1.137 132 L HN 0.009 nan 8.230 nan 0.000 0.470 133 R N 1.199 121.622 120.500 -0.129 0.000 2.159 133 R HA -0.238 4.113 4.340 0.018 0.000 0.252 133 R C -0.368 175.838 176.300 -0.156 0.000 1.144 133 R CA 2.311 58.331 56.100 -0.134 0.000 0.961 133 R CB -1.521 28.730 30.300 -0.083 0.000 0.877 133 R HN 0.271 nan 8.270 nan 0.000 0.444 134 P HA -0.189 nan 4.420 nan 0.000 0.216 134 P C 1.090 178.122 177.300 -0.448 0.000 1.167 134 P CA 1.788 64.625 63.100 -0.437 0.000 0.914 134 P CB -0.279 30.953 31.700 -0.780 0.000 0.793 135 F N -1.690 118.141 119.950 -0.198 0.000 2.365 135 F HA -0.037 4.501 4.527 0.018 0.000 0.300 135 F C 2.040 177.650 175.800 -0.315 0.000 1.090 135 F CA 0.652 58.510 58.000 -0.237 0.000 1.408 135 F CB -1.134 37.673 39.000 -0.323 0.000 1.060 135 F HN -0.140 nan 8.300 nan 0.000 0.534 136 L N 0.164 121.256 121.223 -0.218 0.000 2.551 136 L HA -0.074 4.277 4.340 0.018 0.000 0.228 136 L C 0.338 177.219 176.870 0.017 0.000 1.153 136 L CA 0.386 55.115 54.840 -0.184 0.000 0.851 136 L CB -0.929 41.017 42.059 -0.190 0.000 0.959 136 L HN 0.224 nan 8.230 nan 0.000 0.451 137 N N -0.528 118.189 118.700 0.027 0.000 2.708 137 N HA -0.236 4.515 4.740 0.018 0.000 0.251 137 N C -0.437 175.145 175.510 0.119 0.000 1.017 137 N CA 0.743 53.824 53.050 0.052 0.000 0.742 137 N CB -1.472 37.049 38.487 0.057 0.000 0.943 137 N HN 0.489 nan 8.380 nan 0.000 0.539 138 W N 0.539 121.800 121.300 -0.066 0.000 2.272 138 W HA 0.333 5.004 4.660 0.018 0.000 0.318 138 W C 1.648 178.145 176.519 -0.037 0.000 1.255 138 W CA -0.224 57.094 57.345 -0.045 0.000 1.200 138 W CB 0.625 30.052 29.460 -0.055 0.000 1.170 138 W HN 0.005 nan 8.180 nan 0.000 0.549 139 T N 3.605 117.913 114.554 -0.409 0.000 2.857 139 T HA 0.223 4.584 4.350 0.018 0.000 0.266 139 T C 0.708 174.818 174.700 -0.983 0.000 1.048 139 T CA 2.049 63.839 62.100 -0.517 0.000 1.139 139 T CB -0.887 67.840 68.868 -0.236 0.000 0.874 139 T HN 1.075 nan 8.240 nan 0.000 0.455 140 G N 1.310 108.837 108.800 -2.121 0.000 2.612 140 G HA2 -0.046 3.925 3.960 0.018 0.000 0.686 140 G HA3 -0.046 3.925 3.960 0.018 0.000 0.686 140 G C -3.004 171.507 174.900 -0.649 0.000 1.274 140 G CA -0.835 43.154 45.100 -1.852 0.000 0.849 140 G HN 0.197 nan 8.290 nan 0.000 0.595 141 P HA 0.140 nan 4.420 nan 0.000 0.266 141 P C -1.882 175.404 177.300 -0.024 0.000 1.180 141 P CA -0.254 62.867 63.100 0.034 0.000 0.765 141 P CB 0.077 31.813 31.700 0.061 0.000 0.806 142 P HA 0.139 nan 4.420 nan 0.000 0.261 142 P C 0.201 177.616 177.300 0.192 0.000 1.352 142 P CA 0.250 63.417 63.100 0.112 0.000 0.891 142 P CB 0.159 31.903 31.700 0.074 0.000 1.383 143 E N 2.229 122.575 120.200 0.244 0.000 2.104 143 E HA 0.157 4.518 4.350 0.018 0.000 0.278 143 E C -2.121 174.797 176.600 0.530 0.000 1.127 143 E CA -2.348 54.269 56.400 0.361 0.000 0.897 143 E CB 0.196 30.126 29.700 0.383 0.000 1.043 143 E HN 0.065 nan 8.360 nan 0.000 0.410 144 P HA -0.106 nan 4.420 nan 0.000 0.263 144 P C 0.616 177.872 177.300 -0.074 0.000 1.175 144 P CA 0.357 63.574 63.100 0.196 0.000 0.761 144 P CB 0.494 32.322 31.700 0.214 0.000 0.794 145 I N 2.907 123.150 120.570 -0.545 0.000 2.530 145 I HA -0.314 3.866 4.170 0.018 0.000 0.257 145 I C 1.376 177.215 176.117 -0.464 0.000 1.179 145 I CA 1.697 62.319 61.300 -1.131 0.000 1.440 145 I CB 0.089 37.144 38.000 -1.575 0.000 1.087 145 I HN 0.312 nan 8.210 nan 0.000 0.440 146 E N 1.302 121.337 120.200 -0.275 0.000 2.085 146 E HA -0.232 4.129 4.350 0.018 0.000 0.194 146 E C 2.255 178.801 176.600 -0.091 0.000 0.994 146 E CA 1.599 57.833 56.400 -0.276 0.000 0.801 146 E CB -0.591 28.404 29.700 -1.174 0.000 0.743 146 E HN 0.655 nan 8.360 nan 0.000 0.453 147 A N 0.852 123.709 122.820 0.062 0.000 1.940 147 A HA -0.120 4.211 4.320 0.018 0.000 0.219 147 A C 2.350 180.036 177.584 0.170 0.000 1.176 147 A CA 1.965 54.171 52.037 0.283 0.000 0.631 147 A CB -0.801 18.430 19.000 0.386 0.000 0.814 147 A HN 0.288 nan 8.150 nan 0.000 0.446 148 A N -0.759 122.098 122.820 0.062 0.000 2.015 148 A HA 0.081 4.412 4.320 0.018 0.000 0.219 148 A C 2.293 179.906 177.584 0.048 0.000 1.163 148 A CA 1.659 53.733 52.037 0.060 0.000 0.646 148 A CB -0.794 18.182 19.000 -0.040 0.000 0.806 148 A HN 0.968 nan 8.150 nan 0.000 0.448 149 V N -0.675 119.258 119.914 0.032 0.000 2.407 149 V HA 0.036 4.167 4.120 0.018 0.000 0.245 149 V C 2.557 178.813 176.094 0.270 0.000 1.041 149 V CA 1.971 64.347 62.300 0.126 0.000 1.040 149 V CB -0.593 31.278 31.823 0.080 0.000 0.671 149 V HN 0.525 nan 8.190 nan 0.000 0.455 150 A N 0.557 123.518 122.820 0.235 0.000 1.978 150 A HA -0.170 4.161 4.320 0.018 0.000 0.220 150 A C 2.263 179.968 177.584 0.202 0.000 1.170 150 A CA 1.871 54.051 52.037 0.240 0.000 0.636 150 A CB -0.499 18.657 19.000 0.261 0.000 0.810 150 A HN 0.660 nan 8.150 nan 0.000 0.448 151 R N -2.619 117.990 120.500 0.182 0.000 2.280 151 R HA 0.156 4.506 4.340 0.018 0.000 0.195 151 R C 1.613 178.004 176.300 0.152 0.000 0.935 151 R CA 0.615 56.805 56.100 0.151 0.000 1.033 151 R CB -0.156 30.230 30.300 0.144 0.000 0.964 151 R HN 0.575 nan 8.270 nan 0.000 0.489 152 F N 0.675 120.600 119.950 -0.041 0.000 2.188 152 F HA 0.198 4.736 4.527 0.018 0.000 0.289 152 F C 0.233 175.917 175.800 -0.195 0.000 1.082 152 F CA 0.230 58.108 58.000 -0.203 0.000 1.282 152 F CB 0.218 38.967 39.000 -0.418 0.000 1.060 152 F HN -0.303 nan 8.300 nan 0.000 0.493 153 F N 0.211 120.136 119.950 -0.041 0.000 2.432 153 F HA 0.319 4.857 4.527 0.018 0.000 0.329 153 F C 1.655 177.428 175.800 -0.045 0.000 1.076 153 F CA -0.470 57.438 58.000 -0.154 0.000 1.018 153 F CB 0.891 39.902 39.000 0.019 0.000 1.201 153 F HN -0.215 nan 8.300 nan 0.000 0.489 154 S N 0.868 116.645 115.700 0.128 0.000 2.351 154 S HA 0.097 4.578 4.470 0.018 0.000 0.220 154 S C 0.602 175.264 174.600 0.104 0.000 1.035 154 S CA 1.142 59.390 58.200 0.079 0.000 1.031 154 S CB -0.312 62.910 63.200 0.036 0.000 0.928 154 S HN 0.740 nan 8.310 nan 0.000 0.433 155 A N -0.219 122.665 122.820 0.107 0.000 2.572 155 A HA 0.779 5.110 4.320 0.018 0.000 0.295 155 A C -0.587 177.049 177.584 0.087 0.000 1.072 155 A CA -0.528 51.568 52.037 0.097 0.000 0.691 155 A CB 1.854 20.898 19.000 0.074 0.000 1.291 155 A HN 0.179 nan 8.150 nan 0.000 0.404 156 S N -1.078 114.674 115.700 0.085 0.000 2.607 156 S HA 0.629 5.110 4.470 0.018 0.000 0.273 156 S C -1.405 173.248 174.600 0.088 0.000 1.148 156 S CA -0.356 57.877 58.200 0.056 0.000 0.833 156 S CB 1.629 64.839 63.200 0.017 0.000 1.130 156 S HN 1.487 nan 8.310 nan 0.000 0.470 157 c N 2.629 121.304 118.600 0.125 0.000 2.345 157 c HA 0.858 5.439 4.570 0.018 0.000 0.323 157 c C -1.039 173.144 174.090 0.155 0.000 1.276 157 c CA -0.119 56.309 56.329 0.164 0.000 1.543 157 c CB -0.642 42.022 42.510 0.256 0.000 2.211 157 c HN 0.603 nan 8.230 nan 0.000 0.493 158 V N 8.068 128.040 119.914 0.097 0.000 2.538 158 V HA 0.299 4.430 4.120 0.018 0.000 0.265 158 V C -2.232 173.920 176.094 0.097 0.000 0.977 158 V CA -1.095 61.242 62.300 0.061 0.000 0.852 158 V CB 0.998 32.718 31.823 -0.171 0.000 1.058 158 V HN 0.747 nan 8.190 nan 0.000 0.462 159 P HA 0.050 nan 4.420 nan 0.000 0.267 159 P C 1.320 178.805 177.300 0.308 0.000 1.175 159 P CA 2.209 65.472 63.100 0.272 0.000 0.763 159 P CB 0.566 32.526 31.700 0.433 0.000 0.795 160 G N 0.946 109.906 108.800 0.267 0.000 2.353 160 G HA2 -0.323 3.648 3.960 0.018 0.000 0.258 160 G HA3 -0.323 3.648 3.960 0.018 0.000 0.258 160 G C 0.621 175.535 174.900 0.024 0.000 1.013 160 G CA 0.362 45.561 45.100 0.164 0.000 0.622 160 G HN 0.889 nan 8.290 nan 0.000 0.535 161 A N 0.300 123.101 122.820 -0.033 0.000 2.475 161 A HA 0.413 4.744 4.320 0.018 0.000 0.239 161 A C 0.541 178.179 177.584 0.091 0.000 1.087 161 A CA 0.817 52.808 52.037 -0.076 0.000 0.779 161 A CB 0.157 19.081 19.000 -0.126 0.000 1.036 161 A HN 0.526 nan 8.150 nan 0.000 0.506 162 D N 0.764 121.334 120.400 0.284 0.000 2.352 162 D HA 0.088 4.739 4.640 0.018 0.000 0.245 162 D C 0.963 177.383 176.300 0.201 0.000 1.224 162 D CA -0.228 53.939 54.000 0.280 0.000 0.879 162 D CB 0.575 41.557 40.800 0.303 0.000 1.057 162 D HN 0.396 nan 8.370 nan 0.000 0.491 163 K N 2.882 123.342 120.400 0.099 0.000 2.052 163 K HA -0.173 4.158 4.320 0.018 0.000 0.215 163 K C 1.712 178.328 176.600 0.025 0.000 1.053 163 K CA 1.510 57.834 56.287 0.062 0.000 0.934 163 K CB -0.673 31.846 32.500 0.032 0.000 0.717 163 K HN 0.612 nan 8.250 nan 0.000 0.450 164 G N 1.311 110.103 108.800 -0.013 0.000 2.524 164 G HA2 -0.274 3.697 3.960 0.018 0.000 0.215 164 G HA3 -0.274 3.697 3.960 0.018 0.000 0.215 164 G C 1.529 176.341 174.900 -0.147 0.000 1.239 164 G CA 0.724 45.787 45.100 -0.061 0.000 0.798 164 G HN 0.399 nan 8.290 nan 0.000 0.557 165 Q N -0.289 119.326 119.800 -0.309 0.000 2.046 165 Q HA -0.027 4.324 4.340 0.018 0.000 0.200 165 Q C 0.621 176.252 176.000 -0.614 0.000 0.975 165 Q CA 0.809 56.218 55.803 -0.655 0.000 0.836 165 Q CB -0.111 27.748 28.738 -1.466 0.000 0.896 165 Q HN 0.531 nan 8.270 nan 0.000 0.428 166 F N 1.078 121.042 119.950 0.023 0.000 2.461 166 F HA 0.286 4.824 4.527 0.019 0.000 0.321 166 F C -1.755 174.063 175.800 0.031 0.000 1.203 166 F CA -2.733 55.286 58.000 0.031 0.000 1.238 166 F CB 0.448 39.460 39.000 0.020 0.000 1.528 166 F HN -0.031 nan 8.300 nan 0.000 0.554 167 P HA -0.214 nan 4.420 nan 0.000 0.215 167 P C 1.150 178.513 177.300 0.105 0.000 1.157 167 P CA 1.636 64.790 63.100 0.089 0.000 0.874 167 P CB 0.255 31.988 31.700 0.055 0.000 0.790 168 N N -1.120 117.655 118.700 0.125 0.000 2.453 168 N HA -0.013 4.737 4.740 0.018 0.000 0.183 168 N C 1.643 177.229 175.510 0.126 0.000 1.041 168 N CA 0.176 53.300 53.050 0.124 0.000 0.900 168 N CB -0.313 38.260 38.487 0.143 0.000 0.961 168 N HN 0.073 nan 8.380 nan 0.000 0.443 169 L N -0.725 120.577 121.223 0.132 0.000 2.240 169 L HA -0.064 4.286 4.340 0.018 0.000 0.211 169 L C 1.613 178.524 176.870 0.068 0.000 1.106 169 L CA 0.601 55.493 54.840 0.087 0.000 0.793 169 L CB -0.014 42.085 42.059 0.067 0.000 0.927 169 L HN 0.369 nan 8.230 nan 0.000 0.446 170 c N -1.592 117.061 118.600 0.087 0.000 2.791 170 c HA 0.087 4.668 4.570 0.018 0.000 0.288 170 c C 2.597 176.738 174.090 0.084 0.000 1.271 170 c CA -0.569 55.810 56.329 0.083 0.000 1.726 170 c CB -0.028 42.526 42.510 0.074 0.000 2.145 170 c HN 0.440 nan 8.230 nan 0.000 0.572 171 R N 1.802 122.353 120.500 0.084 0.000 2.234 171 R HA -0.233 4.118 4.340 0.018 0.000 0.241 171 R C 1.228 177.579 176.300 0.086 0.000 1.115 171 R CA 2.094 58.241 56.100 0.078 0.000 0.913 171 R CB -0.755 29.594 30.300 0.082 0.000 0.911 171 R HN 0.491 nan 8.270 nan 0.000 0.430 172 L N 0.149 121.441 121.223 0.115 0.000 2.645 172 L HA 0.170 4.521 4.340 0.018 0.000 0.235 172 L C 0.319 177.328 176.870 0.232 0.000 1.150 172 L CA -0.374 54.563 54.840 0.162 0.000 0.911 172 L CB -0.370 41.795 42.059 0.176 0.000 1.077 172 L HN 0.199 nan 8.230 nan 0.000 0.438 173 c N 0.651 119.347 118.600 0.160 0.000 2.665 173 c HA 0.206 4.787 4.570 0.018 0.000 0.416 173 c C 1.845 175.895 174.090 -0.067 0.000 1.305 173 c CA 0.347 56.747 56.329 0.119 0.000 1.903 173 c CB 0.383 42.946 42.510 0.089 0.000 2.704 173 c HN 0.633 nan 8.230 nan 0.000 0.629 174 A N 2.083 124.695 122.820 -0.346 0.000 2.390 174 A HA 0.442 4.773 4.320 0.018 0.000 0.232 174 A C 1.156 178.576 177.584 -0.273 0.000 1.233 174 A CA 0.581 52.326 52.037 -0.487 0.000 0.907 174 A CB -0.422 17.950 19.000 -1.048 0.000 0.967 174 A HN 1.054 nan 8.150 nan 0.000 0.512 175 G N 0.202 108.898 108.800 -0.175 0.000 2.664 175 G HA2 0.377 4.348 3.960 0.018 0.000 0.242 175 G HA3 0.377 4.348 3.960 0.018 0.000 0.242 175 G C 0.027 174.878 174.900 -0.081 0.000 1.225 175 G CA 0.505 45.540 45.100 -0.108 0.000 0.849 175 G HN 0.313 nan 8.290 nan 0.000 0.581 176 T N 0.370 114.886 114.554 -0.064 0.000 2.832 176 T HA 0.574 4.934 4.350 0.018 0.000 0.313 176 T C 1.125 175.805 174.700 -0.034 0.000 1.035 176 T CA 0.343 62.415 62.100 -0.047 0.000 0.950 176 T CB 0.733 69.574 68.868 -0.044 0.000 0.984 176 T HN 1.904 nan 8.240 nan 0.000 0.486 177 G N 3.919 112.702 108.800 -0.027 0.000 2.536 177 G HA2 -0.319 3.651 3.960 0.018 0.000 0.277 177 G HA3 -0.319 3.651 3.960 0.018 0.000 0.277 177 G C 0.709 175.598 174.900 -0.018 0.000 1.155 177 G CA 0.360 45.448 45.100 -0.020 0.000 0.960 177 G HN 0.614 nan 8.290 nan 0.000 0.544 178 E N 1.031 121.221 120.200 -0.017 0.000 2.409 178 E HA 0.048 4.409 4.350 0.018 0.000 0.198 178 E C 2.093 178.681 176.600 -0.020 0.000 1.024 178 E CA 1.144 57.535 56.400 -0.015 0.000 0.861 178 E CB -0.118 29.574 29.700 -0.013 0.000 0.788 178 E HN 0.365 nan 8.360 nan 0.000 0.521 179 N N 0.345 119.028 118.700 -0.028 0.000 2.461 179 N HA -0.041 4.710 4.740 0.018 0.000 0.188 179 N C -0.105 175.382 175.510 -0.038 0.000 1.134 179 N CA 0.279 53.305 53.050 -0.040 0.000 0.878 179 N CB 0.187 38.645 38.487 -0.047 0.000 0.972 179 N HN 0.018 nan 8.380 nan 0.000 0.456 180 K N 0.719 121.103 120.400 -0.027 0.000 2.412 180 K HA -0.010 4.321 4.320 0.018 0.000 0.284 180 K C 0.113 176.714 176.600 0.002 0.000 1.046 180 K CA 0.132 56.407 56.287 -0.021 0.000 0.999 180 K CB 0.319 32.810 32.500 -0.014 0.000 0.941 180 K HN 0.224 nan 8.250 nan 0.000 0.474 181 c N 3.083 121.691 118.600 0.015 0.000 4.056 181 c HA -0.204 4.377 4.570 0.018 0.000 0.302 181 c C 0.229 174.347 174.090 0.048 0.000 1.356 181 c CA 0.385 56.746 56.329 0.053 0.000 2.074 181 c CB -2.260 40.288 42.510 0.062 0.000 1.328 181 c HN 0.776 nan 8.230 nan 0.000 0.684 182 A N 0.806 123.628 122.820 0.003 0.000 2.281 182 A HA 0.771 5.102 4.320 0.018 0.000 0.329 182 A C -0.376 177.141 177.584 -0.113 0.000 1.122 182 A CA -0.356 51.663 52.037 -0.030 0.000 0.850 182 A CB 0.366 19.317 19.000 -0.082 0.000 1.207 182 A HN 1.048 nan 8.150 nan 0.000 0.495 183 F N 2.314 122.088 119.950 -0.294 0.000 2.640 183 F HA 0.425 4.963 4.527 0.018 0.000 0.331 183 F C 0.763 175.958 175.800 -1.008 0.000 1.200 183 F CA 0.691 58.391 58.000 -0.500 0.000 1.278 183 F CB -0.195 38.737 39.000 -0.112 0.000 1.571 183 F HN 0.677 nan 8.300 nan 0.000 0.576 184 S N -1.271 113.504 115.700 -1.541 0.000 2.636 184 S HA 0.219 4.700 4.470 0.018 0.000 0.266 184 S C 0.477 174.594 174.600 -0.804 0.000 1.147 184 S CA -0.560 56.995 58.200 -1.075 0.000 0.815 184 S CB 1.104 64.063 63.200 -0.402 0.000 1.119 184 S HN -0.101 nan 8.310 nan 0.000 0.470 185 S N 0.333 115.851 115.700 -0.304 0.000 2.442 185 S HA -0.053 4.428 4.470 0.018 0.000 0.236 185 S C 1.604 176.175 174.600 -0.049 0.000 1.007 185 S CA 0.899 59.073 58.200 -0.043 0.000 0.965 185 S CB -0.466 62.739 63.200 0.009 0.000 0.773 185 S HN 0.590 nan 8.310 nan 0.000 0.504 186 Q N 0.412 120.148 119.800 -0.106 0.000 2.508 186 Q HA -0.031 4.320 4.340 0.018 0.000 0.214 186 Q C 0.347 176.305 176.000 -0.071 0.000 0.979 186 Q CA 0.716 56.473 55.803 -0.076 0.000 0.911 186 Q CB -0.003 28.690 28.738 -0.076 0.000 0.969 186 Q HN 0.373 nan 8.270 nan 0.000 0.504 187 E N 0.517 120.674 120.200 -0.073 0.000 2.121 187 E HA 0.152 4.512 4.350 0.018 0.000 0.255 187 E C -2.026 174.616 176.600 0.070 0.000 0.906 187 E CA -2.506 53.879 56.400 -0.025 0.000 0.745 187 E CB 1.137 30.820 29.700 -0.028 0.000 1.155 187 E HN -0.169 nan 8.360 nan 0.000 0.424 188 P HA -0.205 nan 4.420 nan 0.000 0.219 188 P C 0.182 177.688 177.300 0.343 0.000 1.145 188 P CA 1.236 64.381 63.100 0.074 0.000 0.813 188 P CB 0.095 31.723 31.700 -0.120 0.000 0.771 189 Y N -3.050 117.293 120.300 0.073 0.000 2.467 189 Y HA 0.281 4.842 4.550 0.018 0.000 0.250 189 Y C 0.985 176.954 175.900 0.115 0.000 1.155 189 Y CA -1.965 56.181 58.100 0.077 0.000 1.249 189 Y CB -0.871 37.629 38.460 0.067 0.000 1.146 189 Y HN -0.118 nan 8.280 nan 0.000 0.524 190 F N 0.369 120.375 119.950 0.094 0.000 2.382 190 F HA 0.442 4.980 4.527 0.019 0.000 0.331 190 F C 1.157 176.907 175.800 -0.084 0.000 1.121 190 F CA 0.197 58.163 58.000 -0.056 0.000 1.183 190 F CB 0.702 39.619 39.000 -0.138 0.000 1.207 190 F HN -0.020 nan 8.300 nan 0.000 0.555 191 S N 2.628 117.781 115.700 -0.912 0.000 3.585 191 S HA -0.309 4.172 4.470 0.018 0.000 0.638 191 S C 0.648 175.013 174.600 -0.392 0.000 2.340 191 S CA 0.633 58.286 58.200 -0.913 0.000 2.517 191 S CB -1.102 61.591 63.200 -0.844 0.000 0.329 191 S HN 0.783 nan 8.310 nan 0.000 1.795 192 Y N 0.663 120.855 120.300 -0.179 0.000 2.207 192 Y HA -0.092 4.469 4.550 0.019 0.000 0.287 192 Y C 2.911 178.794 175.900 -0.028 0.000 1.156 192 Y CA 1.669 59.713 58.100 -0.094 0.000 1.182 192 Y CB -0.936 37.445 38.460 -0.131 0.000 0.979 192 Y HN 0.477 nan 8.280 nan 0.000 0.521 193 S N -0.405 115.383 115.700 0.145 0.000 2.335 193 S HA -0.093 4.388 4.470 0.018 0.000 0.217 193 S C 2.480 177.141 174.600 0.102 0.000 1.032 193 S CA 1.133 59.415 58.200 0.136 0.000 0.985 193 S CB -0.982 62.282 63.200 0.105 0.000 0.896 193 S HN 0.590 nan 8.310 nan 0.000 0.445 194 G N 1.137 109.984 108.800 0.078 0.000 2.476 194 G HA2 -0.167 3.804 3.960 0.018 0.000 0.218 194 G HA3 -0.167 3.804 3.960 0.018 0.000 0.218 194 G C 1.609 176.506 174.900 -0.006 0.000 1.164 194 G CA 1.150 46.323 45.100 0.122 0.000 0.768 194 G HN 0.628 nan 8.290 nan 0.000 0.560 195 A N 0.338 123.156 122.820 -0.003 0.000 1.940 195 A HA 0.007 4.338 4.320 0.018 0.000 0.219 195 A C 2.183 179.745 177.584 -0.036 0.000 1.176 195 A CA 1.779 53.792 52.037 -0.039 0.000 0.631 195 A CB -0.555 18.458 19.000 0.022 0.000 0.814 195 A HN 0.503 nan 8.150 nan 0.000 0.446 196 F N 0.765 120.636 119.950 -0.131 0.000 2.234 196 F HA -0.055 4.484 4.527 0.019 0.000 0.299 196 F C 1.958 177.663 175.800 -0.159 0.000 1.087 196 F CA 1.766 59.673 58.000 -0.155 0.000 1.340 196 F CB -0.333 38.568 39.000 -0.165 0.000 1.031 196 F HN 0.259 nan 8.300 nan 0.000 0.500 197 K N -0.018 120.165 120.400 -0.361 0.000 1.984 197 K HA -0.231 4.100 4.320 0.018 0.000 0.209 197 K C 2.530 178.861 176.600 -0.448 0.000 1.046 197 K CA 1.786 57.838 56.287 -0.391 0.000 0.934 197 K CB -1.127 31.294 32.500 -0.132 0.000 0.717 197 K HN 0.428 nan 8.250 nan 0.000 0.438 198 c N 1.271 119.408 118.600 -0.772 0.000 2.353 198 c HA -0.213 4.368 4.570 0.018 0.000 0.272 198 c C 2.615 176.464 174.090 -0.402 0.000 1.165 198 c CA 1.469 57.175 56.329 -1.038 0.000 1.786 198 c CB -1.194 40.705 42.510 -1.019 0.000 2.071 198 c HN 0.695 nan 8.230 nan 0.000 0.451 199 L N 1.340 122.410 121.223 -0.254 0.000 1.994 199 L HA -0.078 4.273 4.340 0.018 0.000 0.208 199 L C 2.786 179.612 176.870 -0.073 0.000 1.071 199 L CA 2.228 57.014 54.840 -0.089 0.000 0.745 199 L CB -1.040 41.051 42.059 0.053 0.000 0.892 199 L HN 0.335 nan 8.230 nan 0.000 0.431 200 R N -0.274 120.112 120.500 -0.189 0.000 2.096 200 R HA -0.187 4.164 4.340 0.018 0.000 0.240 200 R C 1.694 177.944 176.300 -0.083 0.000 1.139 200 R CA 1.686 57.696 56.100 -0.151 0.000 0.952 200 R CB -0.636 29.430 30.300 -0.390 0.000 0.854 200 R HN 0.434 nan 8.270 nan 0.000 0.436 201 D N -1.005 119.344 120.400 -0.086 0.000 2.392 201 D HA 0.001 4.652 4.640 0.018 0.000 0.228 201 D C 1.150 177.455 176.300 0.009 0.000 1.003 201 D CA 1.174 55.170 54.000 -0.007 0.000 0.917 201 D CB 0.075 40.926 40.800 0.085 0.000 0.890 201 D HN 0.520 nan 8.370 nan 0.000 0.532 202 G N 0.100 108.892 108.800 -0.013 0.000 2.184 202 G HA2 -0.383 3.587 3.960 0.018 0.000 0.264 202 G HA3 -0.383 3.587 3.960 0.018 0.000 0.264 202 G C 1.357 176.262 174.900 0.009 0.000 0.975 202 G CA 0.827 45.927 45.100 -0.001 0.000 0.642 202 G HN 0.523 nan 8.290 nan 0.000 0.536 203 A N 0.040 122.866 122.820 0.010 0.000 1.865 203 A HA 0.440 4.771 4.320 0.018 0.000 0.217 203 A C 1.926 179.514 177.584 0.006 0.000 1.191 203 A CA 2.441 54.502 52.037 0.040 0.000 0.623 203 A CB -0.605 18.449 19.000 0.090 0.000 0.826 203 A HN 1.931 nan 8.150 nan 0.000 0.444 204 G N -2.453 106.322 108.800 -0.040 0.000 2.491 204 G HA2 0.457 4.428 3.960 0.018 0.000 0.327 204 G HA3 0.457 4.428 3.960 0.018 0.000 0.327 204 G C -0.345 174.543 174.900 -0.020 0.000 1.189 204 G CA -0.028 45.046 45.100 -0.043 0.000 0.956 204 G HN 0.127 nan 8.290 nan 0.000 0.491 205 D N -1.287 119.104 120.400 -0.015 0.000 2.388 205 D HA 0.077 4.728 4.640 0.018 0.000 0.208 205 D C 0.237 176.599 176.300 0.104 0.000 1.035 205 D CA 0.603 54.643 54.000 0.067 0.000 0.875 205 D CB 1.463 42.268 40.800 0.008 0.000 0.984 205 D HN 0.108 nan 8.370 nan 0.000 0.508 206 V N 0.346 120.228 119.914 -0.053 0.000 2.888 206 V HA 0.678 4.809 4.120 0.018 0.000 0.309 206 V C -1.659 174.222 176.094 -0.356 0.000 1.114 206 V CA -0.716 61.470 62.300 -0.190 0.000 0.940 206 V CB 1.930 33.621 31.823 -0.221 0.000 1.021 206 V HN 0.038 nan 8.190 nan 0.000 0.426 207 A N 5.609 128.218 122.820 -0.351 0.000 2.342 207 A HA 0.875 5.206 4.320 0.018 0.000 0.323 207 A C -1.252 176.068 177.584 -0.440 0.000 1.125 207 A CA -0.371 51.488 52.037 -0.297 0.000 0.785 207 A CB 0.925 19.884 19.000 -0.067 0.000 1.221 207 A HN 0.764 nan 8.150 nan 0.000 0.463 208 F N 3.759 123.656 119.950 -0.088 0.000 2.300 208 F HA 0.447 4.984 4.527 0.018 0.000 0.364 208 F C 0.522 176.339 175.800 0.028 0.000 1.090 208 F CA -0.382 57.582 58.000 -0.059 0.000 1.200 208 F CB 0.423 39.322 39.000 -0.168 0.000 1.493 208 F HN 0.545 nan 8.300 nan 0.000 0.518 209 I N -0.579 120.101 120.570 0.184 0.000 3.516 209 I HA 0.695 4.875 4.170 0.018 0.000 0.297 209 I C -0.272 175.961 176.117 0.194 0.000 1.139 209 I CA -1.746 59.683 61.300 0.216 0.000 1.020 209 I CB 1.792 39.846 38.000 0.090 0.000 1.341 209 I HN 0.295 nan 8.210 nan 0.000 0.490 210 R N 0.773 121.334 120.500 0.102 0.000 2.577 210 R HA 0.219 4.570 4.340 0.018 0.000 0.269 210 R C 0.725 176.925 176.300 -0.167 0.000 1.084 210 R CA -0.228 55.831 56.100 -0.069 0.000 1.163 210 R CB 0.649 30.631 30.300 -0.530 0.000 1.100 210 R HN 0.732 nan 8.270 nan 0.000 0.547 211 E N 1.190 121.276 120.200 -0.189 0.000 2.274 211 E HA -0.142 4.219 4.350 0.018 0.000 0.194 211 E C 1.118 177.511 176.600 -0.345 0.000 0.996 211 E CA 1.549 57.728 56.400 -0.369 0.000 0.840 211 E CB -0.203 28.957 29.700 -0.900 0.000 0.772 211 E HN 0.714 nan 8.360 nan 0.000 0.491 212 S N 0.344 115.844 115.700 -0.334 0.000 2.458 212 S HA -0.047 4.434 4.470 0.018 0.000 0.223 212 S C 1.912 176.383 174.600 -0.215 0.000 1.019 212 S CA 0.841 58.934 58.200 -0.178 0.000 0.937 212 S CB -0.673 62.332 63.200 -0.325 0.000 0.788 212 S HN 0.217 nan 8.310 nan 0.000 0.511 213 T N 2.749 117.083 114.554 -0.367 0.000 2.624 213 T HA -0.187 4.174 4.350 0.018 0.000 0.266 213 T C 1.826 176.186 174.700 -0.567 0.000 1.050 213 T CA 1.848 63.712 62.100 -0.392 0.000 1.163 213 T CB -1.118 67.527 68.868 -0.371 0.000 0.861 213 T HN 0.421 nan 8.240 nan 0.000 0.443 214 V N 0.337 119.735 119.914 -0.859 0.000 2.626 214 V HA -0.060 4.071 4.120 0.018 0.000 0.252 214 V C 1.909 177.572 176.094 -0.719 0.000 1.067 214 V CA 1.475 63.095 62.300 -1.133 0.000 1.081 214 V CB -0.780 30.310 31.823 -1.221 0.000 0.686 214 V HN 0.473 nan 8.190 nan 0.000 0.468 215 F N 0.907 120.673 119.950 -0.307 0.000 2.219 215 F HA 0.114 4.653 4.527 0.020 0.000 0.294 215 F C 2.490 178.195 175.800 -0.157 0.000 1.086 215 F CA 1.559 59.448 58.000 -0.185 0.000 1.330 215 F CB -0.554 38.354 39.000 -0.153 0.000 1.047 215 F HN 0.183 nan 8.300 nan 0.000 0.495 216 E N 0.254 120.445 120.200 -0.014 0.000 2.072 216 E HA -0.174 4.187 4.350 0.018 0.000 0.191 216 E C 1.158 177.747 176.600 -0.019 0.000 0.985 216 E CA 1.483 57.863 56.400 -0.035 0.000 0.801 216 E CB -0.221 29.427 29.700 -0.087 0.000 0.750 216 E HN 0.384 nan 8.360 nan 0.000 0.452 217 D N -0.135 120.251 120.400 -0.023 0.000 2.346 217 D HA 0.025 4.676 4.640 0.018 0.000 0.206 217 D C -0.080 176.292 176.300 0.120 0.000 1.001 217 D CA 0.319 54.375 54.000 0.092 0.000 0.871 217 D CB 0.357 41.327 40.800 0.283 0.000 0.943 217 D HN -0.008 nan 8.370 nan 0.000 0.518 218 L N 0.968 122.229 121.223 0.062 0.000 2.335 218 L HA 0.205 4.556 4.340 0.018 0.000 0.268 218 L C 1.390 178.281 176.870 0.034 0.000 1.037 218 L CA -0.171 54.700 54.840 0.053 0.000 0.895 218 L CB 0.992 43.060 42.059 0.015 0.000 1.266 218 L HN -0.252 nan 8.230 nan 0.000 0.439 219 S N 2.045 117.769 115.700 0.041 0.000 2.378 219 S HA -0.172 4.309 4.470 0.018 0.000 0.221 219 S C 0.667 175.293 174.600 0.042 0.000 1.037 219 S CA 1.145 59.368 58.200 0.039 0.000 1.069 219 S CB -0.024 63.195 63.200 0.031 0.000 1.006 219 S HN 0.780 nan 8.310 nan 0.000 0.423 220 D N 0.732 121.156 120.400 0.040 0.000 2.449 220 D HA -0.009 4.642 4.640 0.018 0.000 0.236 220 D C 1.109 177.438 176.300 0.049 0.000 1.149 220 D CA 0.275 54.299 54.000 0.040 0.000 0.878 220 D CB 0.585 41.407 40.800 0.036 0.000 1.198 220 D HN 0.404 nan 8.370 nan 0.000 0.446 221 E N 2.408 122.639 120.200 0.052 0.000 2.478 221 E HA 0.026 4.387 4.350 0.018 0.000 0.194 221 E C 1.100 177.734 176.600 0.057 0.000 1.045 221 E CA 0.346 56.784 56.400 0.064 0.000 0.868 221 E CB 0.081 29.822 29.700 0.069 0.000 0.885 221 E HN 0.449 nan 8.360 nan 0.000 0.505 222 A N 1.334 124.184 122.820 0.049 0.000 2.195 222 A HA 0.013 4.344 4.320 0.018 0.000 0.210 222 A C 1.944 179.563 177.584 0.059 0.000 1.165 222 A CA 0.079 52.143 52.037 0.045 0.000 0.806 222 A CB 0.018 19.037 19.000 0.032 0.000 0.847 222 A HN 0.030 nan 8.150 nan 0.000 0.482 223 E N 0.354 120.596 120.200 0.070 0.000 2.107 223 E HA -0.145 4.216 4.350 0.018 0.000 0.191 223 E C 2.039 178.740 176.600 0.169 0.000 0.982 223 E CA 0.868 57.330 56.400 0.104 0.000 0.809 223 E CB -0.096 29.655 29.700 0.086 0.000 0.756 223 E HN 0.590 nan 8.360 nan 0.000 0.459 224 R N 0.717 121.278 120.500 0.102 0.000 2.148 224 R HA -0.065 4.286 4.340 0.018 0.000 0.223 224 R C 1.187 177.567 176.300 0.134 0.000 1.088 224 R CA 0.791 56.925 56.100 0.057 0.000 0.985 224 R CB -0.080 30.179 30.300 -0.069 0.000 0.880 224 R HN -0.026 nan 8.270 nan 0.000 0.451 225 D N 0.807 121.268 120.400 0.101 0.000 2.355 225 D HA -0.040 4.611 4.640 0.018 0.000 0.253 225 D C 0.415 176.744 176.300 0.049 0.000 1.187 225 D CA 0.627 54.668 54.000 0.068 0.000 0.900 225 D CB 0.127 40.951 40.800 0.039 0.000 0.915 225 D HN 0.268 nan 8.370 nan 0.000 0.516 226 E N -1.463 118.802 120.200 0.107 0.000 2.511 226 E HA 0.079 4.440 4.350 0.018 0.000 0.209 226 E C -0.358 175.967 176.600 -0.460 0.000 0.986 226 E CA -0.075 56.214 56.400 -0.184 0.000 0.974 226 E CB 0.634 30.169 29.700 -0.275 0.000 1.030 226 E HN 0.253 nan 8.360 nan 0.000 0.490 227 Y N 0.898 121.171 120.300 -0.045 0.000 2.602 227 Y HA 0.435 4.996 4.550 0.018 0.000 0.330 227 Y C 0.420 176.270 175.900 -0.084 0.000 1.114 227 Y CA -1.059 57.000 58.100 -0.067 0.000 1.182 227 Y CB 1.197 39.614 38.460 -0.071 0.000 1.305 227 Y HN -0.150 nan 8.280 nan 0.000 0.502 228 E N 0.097 120.329 120.200 0.053 0.000 2.447 228 E HA 0.661 5.022 4.350 0.018 0.000 0.279 228 E C -2.003 174.591 176.600 -0.010 0.000 1.053 228 E CA -1.027 55.370 56.400 -0.005 0.000 0.840 228 E CB 1.980 31.649 29.700 -0.051 0.000 1.409 228 E HN 0.419 nan 8.360 nan 0.000 0.461 229 L N 0.559 121.775 121.223 -0.011 0.000 2.319 229 L HA 0.516 4.867 4.340 0.018 0.000 0.267 229 L C -0.540 176.324 176.870 -0.010 0.000 1.011 229 L CA -1.244 53.595 54.840 -0.001 0.000 0.818 229 L CB 1.472 43.551 42.059 0.034 0.000 1.316 229 L HN 0.374 nan 8.230 nan 0.000 0.432 230 L N 1.601 122.831 121.223 0.012 0.000 2.264 230 L HA 0.376 4.727 4.340 0.018 0.000 0.287 230 L C -0.675 176.230 176.870 0.059 0.000 1.039 230 L CA -0.450 54.410 54.840 0.034 0.000 0.829 230 L CB 1.141 43.246 42.059 0.078 0.000 1.211 230 L HN 0.664 nan 8.230 nan 0.000 0.427 231 c N 3.755 122.379 118.600 0.039 0.000 2.398 231 c HA 0.288 4.869 4.570 0.018 0.000 0.364 231 c C -0.496 173.620 174.090 0.042 0.000 1.219 231 c CA -1.086 55.261 56.329 0.029 0.000 2.312 231 c CB 0.956 43.469 42.510 0.004 0.000 2.428 231 c HN 0.597 nan 8.230 nan 0.000 0.564 232 P HA -0.090 nan 4.420 nan 0.000 0.231 232 P C 0.460 177.788 177.300 0.047 0.000 1.158 232 P CA 1.544 64.671 63.100 0.044 0.000 0.763 232 P CB -0.041 31.668 31.700 0.015 0.000 0.805 233 D N -1.072 119.346 120.400 0.030 0.000 2.427 233 D HA -0.019 4.632 4.640 0.018 0.000 0.224 233 D C -0.211 176.113 176.300 0.039 0.000 1.157 233 D CA -0.721 53.297 54.000 0.030 0.000 0.828 233 D CB -1.093 39.713 40.800 0.010 0.000 0.974 233 D HN -0.174 nan 8.370 nan 0.000 0.498 234 N N -0.055 118.677 118.700 0.053 0.000 2.708 234 N HA -0.160 4.591 4.740 0.018 0.000 0.255 234 N C -0.876 174.655 175.510 0.035 0.000 1.046 234 N CA 0.962 54.045 53.050 0.057 0.000 0.715 234 N CB -1.798 36.731 38.487 0.070 0.000 0.895 234 N HN 0.355 nan 8.380 nan 0.000 0.545 235 T N -0.241 114.328 114.554 0.025 0.000 2.901 235 T HA 0.633 4.994 4.350 0.018 0.000 0.293 235 T C -0.298 174.399 174.700 -0.004 0.000 1.084 235 T CA -0.585 61.518 62.100 0.006 0.000 1.008 235 T CB 1.882 70.751 68.868 0.002 0.000 1.170 235 T HN 0.193 nan 8.240 nan 0.000 0.509 236 R N 1.512 121.999 120.500 -0.021 0.000 2.534 236 R HA 0.703 5.054 4.340 0.018 0.000 0.301 236 R C -1.058 175.226 176.300 -0.025 0.000 0.961 236 R CA -0.646 55.432 56.100 -0.037 0.000 0.871 236 R CB 1.410 31.666 30.300 -0.073 0.000 1.170 236 R HN 0.469 nan 8.270 nan 0.000 0.446 237 K N 2.350 122.741 120.400 -0.016 0.000 2.522 237 K HA 0.435 4.766 4.320 0.018 0.000 0.275 237 K C -2.770 173.835 176.600 0.007 0.000 1.006 237 K CA -2.105 54.178 56.287 -0.006 0.000 0.890 237 K CB 2.006 34.505 32.500 -0.001 0.000 1.475 237 K HN 0.289 nan 8.250 nan 0.000 0.441 238 P HA -0.105 nan 4.420 nan 0.000 0.265 238 P C 0.998 178.340 177.300 0.069 0.000 1.187 238 P CA -0.137 62.984 63.100 0.036 0.000 0.766 238 P CB 0.393 32.116 31.700 0.039 0.000 0.820 239 V N 0.077 120.023 119.914 0.054 0.000 2.828 239 V HA -0.249 3.882 4.120 0.018 0.000 0.260 239 V C 0.974 177.249 176.094 0.302 0.000 1.101 239 V CA 2.315 64.640 62.300 0.042 0.000 1.123 239 V CB -1.530 30.175 31.823 -0.197 0.000 0.704 239 V HN 0.456 nan 8.190 nan 0.000 0.493 240 D N -0.399 120.199 120.400 0.330 0.000 2.354 240 D HA 0.021 4.671 4.640 0.018 0.000 0.209 240 D C 1.619 177.968 176.300 0.081 0.000 1.015 240 D CA 0.293 54.544 54.000 0.419 0.000 0.867 240 D CB -0.352 40.618 40.800 0.283 0.000 0.933 240 D HN 0.383 nan 8.370 nan 0.000 0.520 241 K N 0.350 120.777 120.400 0.045 0.000 2.706 241 K HA 0.106 4.437 4.320 0.018 0.000 0.217 241 K C 0.556 177.124 176.600 -0.054 0.000 1.019 241 K CA -0.106 56.142 56.287 -0.064 0.000 1.181 241 K CB -0.829 31.659 32.500 -0.019 0.000 0.940 241 K HN 0.339 nan 8.250 nan 0.000 0.491 242 F N -0.723 119.194 119.950 -0.056 0.000 2.333 242 F HA -0.117 4.421 4.527 0.018 0.000 0.300 242 F C 1.248 176.940 175.800 -0.181 0.000 1.083 242 F CA 0.739 58.671 58.000 -0.114 0.000 1.395 242 F CB -0.124 38.762 39.000 -0.190 0.000 1.056 242 F HN -0.114 nan 8.300 nan 0.000 0.529 243 K N 0.874 120.991 120.400 -0.472 0.000 2.155 243 K HA -0.077 4.254 4.320 0.018 0.000 0.203 243 K C 1.114 177.754 176.600 0.066 0.000 1.052 243 K CA 1.303 57.461 56.287 -0.215 0.000 0.948 243 K CB -0.560 31.776 32.500 -0.273 0.000 0.728 243 K HN 0.459 nan 8.250 nan 0.000 0.448 244 D N -0.577 119.807 120.400 -0.027 0.000 2.350 244 D HA -0.029 4.622 4.640 0.018 0.000 0.213 244 D C 0.360 176.633 176.300 -0.044 0.000 1.031 244 D CA 0.162 54.145 54.000 -0.029 0.000 0.861 244 D CB 0.101 40.874 40.800 -0.046 0.000 0.926 244 D HN -0.012 nan 8.370 nan 0.000 0.520 245 c N 3.150 121.757 118.600 0.011 0.000 3.123 245 c HA 0.327 4.908 4.570 0.018 0.000 0.284 245 c C -0.973 173.171 174.090 0.089 0.000 1.076 245 c CA -0.473 55.853 56.329 -0.004 0.000 1.416 245 c CB -0.816 41.713 42.510 0.031 0.000 1.841 245 c HN 0.435 nan 8.230 nan 0.000 0.501 246 H N 3.079 122.221 119.070 0.119 0.000 3.037 246 H HA 0.359 4.926 4.556 0.018 0.000 0.355 246 H C -0.372 175.049 175.328 0.155 0.000 1.263 246 H CA -0.823 55.329 56.048 0.174 0.000 1.129 246 H CB 0.867 30.800 29.762 0.285 0.000 1.861 246 H HN 0.357 nan 8.280 nan 0.000 0.546 247 L N 0.447 121.848 121.223 0.297 0.000 2.179 247 L HA 0.316 4.667 4.340 0.018 0.000 0.208 247 L C 1.017 178.027 176.870 0.233 0.000 1.096 247 L CA 1.313 56.272 54.840 0.198 0.000 0.779 247 L CB -0.127 42.047 42.059 0.192 0.000 0.922 247 L HN 0.770 nan 8.230 nan 0.000 0.443 248 A N -0.392 122.650 122.820 0.370 0.000 2.586 248 A HA 0.588 4.919 4.320 0.018 0.000 0.290 248 A C -1.181 176.444 177.584 0.069 0.000 1.086 248 A CA -0.619 51.561 52.037 0.238 0.000 0.665 248 A CB 1.387 20.394 19.000 0.012 0.000 1.279 248 A HN 0.056 nan 8.150 nan 0.000 0.423 249 R N 0.673 121.088 120.500 -0.142 0.000 2.388 249 R HA 0.604 4.955 4.340 0.018 0.000 0.314 249 R C -1.156 174.898 176.300 -0.410 0.000 0.959 249 R CA -0.262 55.590 56.100 -0.413 0.000 0.851 249 R CB 1.118 31.165 30.300 -0.422 0.000 1.168 249 R HN 1.208 nan 8.270 nan 0.000 0.472 250 V N 1.441 121.023 119.914 -0.554 0.000 2.919 250 V HA 0.737 4.868 4.120 0.018 0.000 0.316 250 V C -2.611 173.219 176.094 -0.440 0.000 1.077 250 V CA -2.844 59.109 62.300 -0.579 0.000 0.977 250 V CB 1.682 33.041 31.823 -0.774 0.000 1.039 250 V HN 0.623 nan 8.190 nan 0.000 0.441 251 P HA 0.208 nan 4.420 nan 0.000 0.271 251 P C 0.069 177.503 177.300 0.222 0.000 1.216 251 P CA 0.226 63.295 63.100 -0.051 0.000 0.776 251 P CB 0.767 32.409 31.700 -0.097 0.000 0.881 252 S N 2.351 118.268 115.700 0.362 0.000 2.589 252 S HA 0.107 4.588 4.470 0.018 0.000 0.265 252 S C 0.299 175.343 174.600 0.739 0.000 1.342 252 S CA -0.355 58.223 58.200 0.630 0.000 1.005 252 S CB -0.386 62.889 63.200 0.125 0.000 0.909 252 S HN 0.460 nan 8.310 nan 0.000 0.555 253 H N 0.319 119.768 119.070 0.632 0.000 2.998 253 H HA 0.409 4.976 4.556 0.019 0.000 0.353 253 H C 0.466 176.047 175.328 0.421 0.000 1.099 253 H CA 0.211 56.568 56.048 0.516 0.000 1.393 253 H CB 0.335 30.393 29.762 0.493 0.000 1.343 253 H HN 0.904 nan 8.280 nan 0.000 0.609 254 A N 2.029 125.098 122.820 0.414 0.000 2.539 254 A HA 0.475 4.806 4.320 0.018 0.000 0.296 254 A C -0.898 176.804 177.584 0.198 0.000 1.073 254 A CA -0.706 51.464 52.037 0.222 0.000 0.700 254 A CB 1.406 20.267 19.000 -0.233 0.000 1.296 254 A HN 0.425 nan 8.150 nan 0.000 0.405 255 V N 1.596 121.631 119.914 0.201 0.000 2.465 255 V HA 0.523 4.654 4.120 0.018 0.000 0.279 255 V C 0.217 176.311 176.094 -0.000 0.000 1.045 255 V CA -0.152 62.242 62.300 0.156 0.000 0.938 255 V CB 1.042 33.038 31.823 0.288 0.000 0.986 255 V HN 1.079 nan 8.190 nan 0.000 0.467 256 V N 2.177 122.044 119.914 -0.078 0.000 2.864 256 V HA 1.090 5.221 4.120 0.018 0.000 0.314 256 V C -0.168 175.846 176.094 -0.133 0.000 1.073 256 V CA -0.481 61.760 62.300 -0.100 0.000 0.956 256 V CB 1.582 33.352 31.823 -0.088 0.000 1.023 256 V HN 1.141 nan 8.190 nan 0.000 0.435 257 A N 2.814 125.571 122.820 -0.105 0.000 2.552 257 A HA 0.851 5.182 4.320 0.018 0.000 0.288 257 A C -0.320 177.220 177.584 -0.074 0.000 1.193 257 A CA -1.247 50.727 52.037 -0.105 0.000 0.713 257 A CB 1.308 20.262 19.000 -0.077 0.000 1.305 257 A HN 0.920 nan 8.150 nan 0.000 0.424 258 R N 0.145 120.607 120.500 -0.062 0.000 2.694 258 R HA 0.308 4.659 4.340 0.018 0.000 0.268 258 R C 0.571 176.850 176.300 -0.035 0.000 1.061 258 R CA 0.708 56.784 56.100 -0.040 0.000 1.133 258 R CB 0.396 30.677 30.300 -0.032 0.000 1.020 258 R HN 0.736 nan 8.270 nan 0.000 0.475 259 S N -0.004 115.679 115.700 -0.028 0.000 2.568 259 S HA 0.068 4.549 4.470 0.018 0.000 0.232 259 S C 0.887 175.472 174.600 -0.024 0.000 0.975 259 S CA -0.610 57.572 58.200 -0.030 0.000 0.949 259 S CB 0.685 63.866 63.200 -0.032 0.000 0.829 259 S HN 0.397 nan 8.310 nan 0.000 0.479 260 V N 1.682 121.584 119.914 -0.020 0.000 2.635 260 V HA 0.340 4.471 4.120 0.018 0.000 0.233 260 V C -0.345 175.740 176.094 -0.015 0.000 1.097 260 V CA 0.689 62.979 62.300 -0.017 0.000 1.134 260 V CB 0.153 31.968 31.823 -0.013 0.000 0.841 260 V HN 0.470 nan 8.190 nan 0.000 0.496 261 N N -0.001 118.690 118.700 -0.014 0.000 2.757 261 N HA 0.375 5.126 4.740 0.018 0.000 0.296 261 N C 0.597 176.098 175.510 -0.014 0.000 1.874 261 N CA 0.515 53.558 53.050 -0.011 0.000 0.885 261 N CB 1.144 39.625 38.487 -0.009 0.000 1.242 261 N HN 0.397 nan 8.380 nan 0.000 0.488 262 G N 0.515 109.305 108.800 -0.016 0.000 2.650 262 G HA2 -0.139 3.832 3.960 0.018 0.000 0.214 262 G HA3 -0.139 3.832 3.960 0.018 0.000 0.214 262 G C 0.463 175.354 174.900 -0.013 0.000 1.136 262 G CA -0.010 45.078 45.100 -0.021 0.000 0.789 262 G HN 0.395 nan 8.290 nan 0.000 0.536 263 K N -0.529 119.871 120.400 0.001 0.000 3.117 263 K HA -0.223 4.108 4.320 0.018 0.000 0.269 263 K C 1.021 177.644 176.600 0.039 0.000 1.098 263 K CA 0.714 57.011 56.287 0.017 0.000 0.785 263 K CB -1.231 31.275 32.500 0.010 0.000 1.242 263 K HN 0.465 nan 8.250 nan 0.000 0.491 264 E N 1.013 121.236 120.200 0.038 0.000 2.085 264 E HA -0.211 4.150 4.350 0.018 0.000 0.194 264 E C 1.462 178.140 176.600 0.130 0.000 0.994 264 E CA 1.901 58.338 56.400 0.060 0.000 0.801 264 E CB 0.076 29.787 29.700 0.017 0.000 0.743 264 E HN 0.459 nan 8.360 nan 0.000 0.453 265 D N 0.383 120.853 120.400 0.117 0.000 2.137 265 D HA -0.100 4.551 4.640 0.018 0.000 0.202 265 D C 2.002 178.397 176.300 0.159 0.000 0.970 265 D CA 0.981 55.082 54.000 0.169 0.000 0.837 265 D CB -0.278 40.599 40.800 0.127 0.000 0.981 265 D HN 0.170 nan 8.370 nan 0.000 0.475 266 A N 1.827 124.710 122.820 0.104 0.000 1.873 266 A HA -0.201 4.130 4.320 0.018 0.000 0.218 266 A C 2.427 180.077 177.584 0.111 0.000 1.193 266 A CA 1.385 53.472 52.037 0.083 0.000 0.629 266 A CB -1.012 18.020 19.000 0.053 0.000 0.826 266 A HN 0.170 nan 8.150 nan 0.000 0.447 267 I N -1.897 118.757 120.570 0.139 0.000 2.208 267 I HA -0.299 3.882 4.170 0.018 0.000 0.245 267 I C 2.520 178.771 176.117 0.222 0.000 1.097 267 I CA 1.661 63.076 61.300 0.193 0.000 1.363 267 I CB -0.383 37.714 38.000 0.161 0.000 1.051 267 I HN 0.717 nan 8.210 nan 0.000 0.413 268 W N 2.098 123.439 121.300 0.069 0.000 2.354 268 W HA -0.295 4.375 4.660 0.017 0.000 0.315 268 W C 2.481 179.051 176.519 0.084 0.000 1.206 268 W CA 2.010 59.395 57.345 0.067 0.000 1.290 268 W CB -0.379 29.113 29.460 0.054 0.000 1.152 268 W HN 0.208 nan 8.180 nan 0.000 0.489 269 N N 1.149 119.822 118.700 -0.045 0.000 2.018 269 N HA -0.274 4.477 4.740 0.018 0.000 0.196 269 N C 2.154 177.592 175.510 -0.120 0.000 1.043 269 N CA 2.546 55.522 53.050 -0.123 0.000 0.856 269 N CB -1.213 37.276 38.487 0.004 0.000 1.042 269 N HN 0.229 nan 8.380 nan 0.000 0.423 270 L N -0.332 120.882 121.223 -0.015 0.000 2.021 270 L HA -0.197 4.154 4.340 0.018 0.000 0.215 270 L C 1.866 178.762 176.870 0.044 0.000 1.074 270 L CA 1.558 56.422 54.840 0.040 0.000 0.760 270 L CB -0.533 41.566 42.059 0.067 0.000 0.889 270 L HN 0.266 nan 8.230 nan 0.000 0.433 271 L N 0.083 121.264 121.223 -0.069 0.000 2.046 271 L HA -0.199 4.152 4.340 0.018 0.000 0.208 271 L C 2.816 179.559 176.870 -0.210 0.000 1.077 271 L CA 1.577 56.295 54.840 -0.202 0.000 0.747 271 L CB -1.248 40.495 42.059 -0.527 0.000 0.896 271 L HN 0.306 nan 8.230 nan 0.000 0.432 272 R N -0.932 119.251 120.500 -0.528 0.000 2.091 272 R HA -0.178 4.173 4.340 0.018 0.000 0.238 272 R C 2.179 178.367 176.300 -0.187 0.000 1.136 272 R CA 1.357 57.143 56.100 -0.523 0.000 0.959 272 R CB 0.108 29.976 30.300 -0.720 0.000 0.856 272 R HN 0.495 nan 8.270 nan 0.000 0.437 273 Q N -0.415 119.320 119.800 -0.109 0.000 1.994 273 Q HA -0.057 4.294 4.340 0.018 0.000 0.198 273 Q C 2.199 178.210 176.000 0.018 0.000 0.976 273 Q CA 1.323 57.110 55.803 -0.028 0.000 0.828 273 Q CB -0.388 28.359 28.738 0.015 0.000 0.894 273 Q HN 0.341 nan 8.270 nan 0.000 0.432 274 A N 1.855 124.774 122.820 0.166 0.000 1.927 274 A HA -0.318 4.013 4.320 0.018 0.000 0.220 274 A C 2.126 179.781 177.584 0.118 0.000 1.185 274 A CA 2.276 54.531 52.037 0.365 0.000 0.639 274 A CB -0.811 18.464 19.000 0.458 0.000 0.820 274 A HN 0.535 nan 8.150 nan 0.000 0.451 275 Q N -0.653 119.174 119.800 0.045 0.000 2.224 275 Q HA -0.169 4.182 4.340 0.018 0.000 0.203 275 Q C 1.874 177.845 176.000 -0.048 0.000 0.970 275 Q CA 1.762 57.564 55.803 -0.001 0.000 0.865 275 Q CB -0.195 28.611 28.738 0.113 0.000 0.922 275 Q HN 0.777 nan 8.270 nan 0.000 0.445 276 E N -0.117 120.035 120.200 -0.080 0.000 2.008 276 E HA -0.157 4.204 4.350 0.018 0.000 0.191 276 E C 1.665 178.135 176.600 -0.216 0.000 0.986 276 E CA 0.909 57.240 56.400 -0.115 0.000 0.807 276 E CB 0.204 29.842 29.700 -0.103 0.000 0.766 276 E HN 0.160 nan 8.360 nan 0.000 0.450 277 K N 0.405 120.570 120.400 -0.393 0.000 1.963 277 K HA -0.129 4.202 4.320 0.018 0.000 0.216 277 K C 1.769 177.895 176.600 -0.789 0.000 1.045 277 K CA 1.406 57.224 56.287 -0.781 0.000 0.954 277 K CB -0.853 30.811 32.500 -1.394 0.000 0.732 277 K HN 0.174 nan 8.250 nan 0.000 0.442 278 F N 1.008 120.947 119.950 -0.018 0.000 2.663 278 F HA 0.292 4.831 4.527 0.019 0.000 0.299 278 F C 1.438 177.092 175.800 -0.242 0.000 1.143 278 F CA -0.506 57.429 58.000 -0.108 0.000 1.387 278 F CB -0.860 38.071 39.000 -0.115 0.000 1.019 278 F HN -0.048 nan 8.300 nan 0.000 0.523 279 G N -0.137 108.613 108.800 -0.083 0.000 2.525 279 G HA2 0.065 4.035 3.960 0.018 0.000 0.276 279 G HA3 0.065 4.035 3.960 0.018 0.000 0.276 279 G C -0.085 174.827 174.900 0.020 0.000 1.388 279 G CA -0.666 44.408 45.100 -0.043 0.000 1.050 279 G HN -0.034 nan 8.290 nan 0.000 0.520 280 K N 0.543 121.010 120.400 0.112 0.000 2.548 280 K HA -0.106 4.225 4.320 0.018 0.000 0.277 280 K C -0.021 176.584 176.600 0.009 0.000 1.001 280 K CA 0.542 56.862 56.287 0.055 0.000 1.102 280 K CB -0.216 32.293 32.500 0.015 0.000 0.848 280 K HN 0.497 nan 8.250 nan 0.000 0.487 281 D N 2.739 123.140 120.400 0.002 0.000 2.916 281 D HA -0.218 4.433 4.640 0.018 0.000 0.211 281 D C -0.602 175.694 176.300 -0.007 0.000 1.260 281 D CA 1.339 55.337 54.000 -0.003 0.000 0.711 281 D CB -0.259 40.536 40.800 -0.007 0.000 0.915 281 D HN 0.387 nan 8.370 nan 0.000 0.391 282 K N 0.316 120.714 120.400 -0.004 0.000 2.579 282 K HA 0.219 4.550 4.320 0.018 0.000 0.257 282 K C -0.897 175.710 176.600 0.012 0.000 0.950 282 K CA -0.563 55.716 56.287 -0.014 0.000 0.862 282 K CB 1.216 33.688 32.500 -0.047 0.000 1.317 282 K HN 0.033 nan 8.250 nan 0.000 0.436 283 S N 2.972 118.695 115.700 0.038 0.000 3.783 283 S HA -0.064 4.417 4.470 0.018 0.000 0.497 283 S C -1.994 172.725 174.600 0.198 0.000 0.804 283 S CA 0.153 58.420 58.200 0.112 0.000 1.361 283 S CB -0.860 62.388 63.200 0.080 0.000 0.873 283 S HN 0.622 nan 8.310 nan 0.000 0.671 284 P HA -0.271 nan 4.420 nan 0.000 0.221 284 P C 1.538 178.923 177.300 0.141 0.000 1.153 284 P CA 1.943 65.106 63.100 0.105 0.000 0.858 284 P CB -0.075 31.665 31.700 0.068 0.000 0.783 285 K N -2.784 117.722 120.400 0.177 0.000 2.127 285 K HA -0.189 4.142 4.320 0.018 0.000 0.212 285 K C 0.918 177.652 176.600 0.224 0.000 1.050 285 K CA 1.262 57.658 56.287 0.182 0.000 0.929 285 K CB -0.562 32.082 32.500 0.239 0.000 0.715 285 K HN 0.208 nan 8.250 nan 0.000 0.457 286 F N 0.062 120.025 119.950 0.022 0.000 2.715 286 F HA 0.366 4.904 4.527 0.018 0.000 0.318 286 F C -1.755 174.029 175.800 -0.027 0.000 1.141 286 F CA -1.496 56.440 58.000 -0.106 0.000 0.950 286 F CB 2.195 40.912 39.000 -0.471 0.000 1.374 286 F HN -0.157 nan 8.300 nan 0.000 0.477 287 Q N 2.819 122.133 119.800 -0.809 0.000 2.374 287 Q HA 0.324 4.675 4.340 0.018 0.000 0.250 287 Q C -0.169 175.175 176.000 -1.094 0.000 0.918 287 Q CA -0.319 55.098 55.803 -0.644 0.000 0.778 287 Q CB 2.218 30.765 28.738 -0.318 0.000 1.328 287 Q HN 0.712 nan 8.270 nan 0.000 0.445 288 L N 2.002 122.612 121.223 -1.021 0.000 2.141 288 L HA 0.065 4.416 4.340 0.018 0.000 0.209 288 L C 0.245 176.628 176.870 -0.812 0.000 1.094 288 L CA 1.854 56.000 54.840 -1.157 0.000 0.763 288 L CB 0.245 41.564 42.059 -1.233 0.000 0.908 288 L HN 0.606 nan 8.230 nan 0.000 0.437 289 F N -0.158 119.620 119.950 -0.287 0.000 2.925 289 F HA 0.571 5.110 4.527 0.019 0.000 0.302 289 F C 0.816 176.540 175.800 -0.126 0.000 1.189 289 F CA -0.390 57.511 58.000 -0.165 0.000 1.346 289 F CB -0.338 38.553 39.000 -0.181 0.000 0.954 289 F HN -0.029 nan 8.300 nan 0.000 0.506 290 G N -0.837 107.933 108.800 -0.050 0.000 2.659 290 G HA2 0.570 4.541 3.960 0.018 0.000 0.296 290 G HA3 0.570 4.541 3.960 0.018 0.000 0.296 290 G C -1.326 173.547 174.900 -0.045 0.000 1.369 290 G CA -0.754 44.323 45.100 -0.039 0.000 0.937 290 G HN -0.023 nan 8.290 nan 0.000 0.485 291 S N 1.282 116.980 115.700 -0.004 0.000 2.561 291 S HA 0.609 5.089 4.470 0.018 0.000 0.303 291 S C -2.547 172.066 174.600 0.021 0.000 1.110 291 S CA -0.742 57.467 58.200 0.015 0.000 1.034 291 S CB 1.998 65.222 63.200 0.040 0.000 1.010 291 S HN 0.472 nan 8.310 nan 0.000 0.482 292 P HA 0.036 nan 4.420 nan 0.000 0.259 292 P C 0.801 178.120 177.300 0.031 0.000 1.163 292 P CA 0.425 63.544 63.100 0.031 0.000 0.760 292 P CB 0.265 31.990 31.700 0.041 0.000 0.762 293 S N 2.872 118.588 115.700 0.026 0.000 2.508 293 S HA -0.289 4.192 4.470 0.018 0.000 0.276 293 S C 1.972 176.590 174.600 0.030 0.000 1.154 293 S CA 2.099 60.314 58.200 0.026 0.000 1.079 293 S CB -0.695 62.518 63.200 0.022 0.000 0.922 293 S HN 0.777 nan 8.310 nan 0.000 0.469 294 G N 0.239 109.058 108.800 0.032 0.000 2.425 294 G HA2 0.001 3.972 3.960 0.018 0.000 0.213 294 G HA3 0.001 3.972 3.960 0.018 0.000 0.213 294 G C 0.667 175.593 174.900 0.043 0.000 1.201 294 G CA 0.278 45.399 45.100 0.034 0.000 0.799 294 G HN 0.371 nan 8.290 nan 0.000 0.534 295 Q N -0.477 119.351 119.800 0.047 0.000 2.308 295 Q HA 0.711 5.062 4.340 0.018 0.000 0.207 295 Q C -0.658 175.379 176.000 0.062 0.000 1.035 295 Q CA -0.141 55.697 55.803 0.059 0.000 1.008 295 Q CB 1.133 29.907 28.738 0.060 0.000 1.168 295 Q HN 0.238 nan 8.270 nan 0.000 0.565 296 K N 0.253 120.698 120.400 0.076 0.000 2.543 296 K HA 0.229 4.560 4.320 0.018 0.000 0.255 296 K C -1.774 174.883 176.600 0.096 0.000 0.934 296 K CA -0.307 56.026 56.287 0.078 0.000 0.810 296 K CB 1.036 33.584 32.500 0.080 0.000 1.315 296 K HN 0.423 nan 8.250 nan 0.000 0.433 297 D N 2.178 122.638 120.400 0.100 0.000 2.737 297 D HA -0.210 4.441 4.640 0.018 0.000 0.238 297 D C -0.942 175.438 176.300 0.133 0.000 1.157 297 D CA 0.884 54.967 54.000 0.138 0.000 0.694 297 D CB -0.706 40.196 40.800 0.169 0.000 1.021 297 D HN 0.407 nan 8.370 nan 0.000 0.420 298 L N 0.666 121.949 121.223 0.101 0.000 2.313 298 L HA 0.233 4.584 4.340 0.018 0.000 0.282 298 L C 1.933 178.812 176.870 0.015 0.000 1.092 298 L CA -0.327 54.551 54.840 0.064 0.000 0.831 298 L CB 0.646 42.737 42.059 0.054 0.000 1.159 298 L HN 0.326 nan 8.230 nan 0.000 0.442 299 L N 2.412 123.603 121.223 -0.053 0.000 4.733 299 L HA -0.339 4.012 4.340 0.018 0.000 0.388 299 L C -0.567 175.964 176.870 -0.564 0.000 0.773 299 L CA 1.198 55.842 54.840 -0.326 0.000 2.353 299 L CB -1.101 40.633 42.059 -0.541 0.000 1.139 299 L HN 0.464 nan 8.230 nan 0.000 0.635 300 F N -2.082 118.008 119.950 0.233 0.000 2.713 300 F HA 0.465 5.004 4.527 0.019 0.000 0.311 300 F C 0.139 176.099 175.800 0.268 0.000 1.141 300 F CA -1.164 57.036 58.000 0.334 0.000 0.939 300 F CB 0.617 39.888 39.000 0.452 0.000 1.325 300 F HN -0.342 nan 8.300 nan 0.000 0.453 301 K N 1.768 122.464 120.400 0.492 0.000 2.416 301 K HA 0.078 4.408 4.320 0.018 0.000 0.283 301 K C -0.920 175.773 176.600 0.154 0.000 1.037 301 K CA -0.012 56.420 56.287 0.241 0.000 0.995 301 K CB 0.339 32.910 32.500 0.118 0.000 0.938 301 K HN 0.533 nan 8.250 nan 0.000 0.475 302 D N 1.726 122.176 120.400 0.085 0.000 2.493 302 D HA -0.043 4.608 4.640 0.018 0.000 0.240 302 D C 0.285 176.560 176.300 -0.042 0.000 1.142 302 D CA 0.650 54.677 54.000 0.045 0.000 0.872 302 D CB 0.358 41.174 40.800 0.028 0.000 1.173 302 D HN 0.494 nan 8.370 nan 0.000 0.467 303 S N -0.908 114.785 115.700 -0.012 0.000 3.593 303 S HA -0.153 4.328 4.470 0.018 0.000 0.301 303 S C 0.404 174.878 174.600 -0.210 0.000 1.209 303 S CA 0.496 58.639 58.200 -0.096 0.000 0.878 303 S CB -1.530 61.613 63.200 -0.096 0.000 1.000 303 S HN 0.812 nan 8.310 nan 0.000 0.578 304 A N 1.080 123.667 122.820 -0.389 0.000 2.346 304 A HA 0.719 5.049 4.320 0.018 0.000 0.252 304 A C 1.340 178.340 177.584 -0.974 0.000 1.089 304 A CA 0.128 51.767 52.037 -0.664 0.000 0.797 304 A CB 0.152 18.585 19.000 -0.945 0.000 1.047 304 A HN 1.041 nan 8.150 nan 0.000 0.494 305 I N -2.528 117.563 120.570 -0.798 0.000 4.139 305 I HA 0.569 4.750 4.170 0.018 0.000 0.335 305 I C 0.543 176.358 176.117 -0.502 0.000 1.327 305 I CA 0.427 61.417 61.300 -0.516 0.000 1.112 305 I CB -0.030 37.812 38.000 -0.264 0.000 1.058 305 I HN 0.855 nan 8.210 nan 0.000 0.396 306 G N 1.195 109.509 108.800 -0.810 0.000 2.343 306 G HA2 0.295 4.266 3.960 0.018 0.000 0.289 306 G HA3 0.295 4.266 3.960 0.018 0.000 0.289 306 G C -1.721 172.674 174.900 -0.841 0.000 1.295 306 G CA -0.818 43.921 45.100 -0.602 0.000 0.869 306 G HN 0.051 nan 8.290 nan 0.000 0.522 307 F N 0.332 120.337 119.950 0.091 0.000 2.483 307 F HA 0.826 5.364 4.527 0.018 0.000 0.329 307 F C 0.762 176.777 175.800 0.359 0.000 1.064 307 F CA -0.786 57.357 58.000 0.239 0.000 0.986 307 F CB 2.405 41.626 39.000 0.369 0.000 1.218 307 F HN 0.475 nan 8.300 nan 0.000 0.484 308 S N 1.692 117.723 115.700 0.552 0.000 2.647 308 S HA 0.449 4.930 4.470 0.018 0.000 0.300 308 S C -0.771 173.984 174.600 0.258 0.000 1.129 308 S CA -0.829 57.610 58.200 0.398 0.000 1.029 308 S CB 0.744 64.136 63.200 0.321 0.000 1.007 308 S HN 0.727 nan 8.310 nan 0.000 0.484 309 R N 3.875 124.257 120.500 -0.196 0.000 2.401 309 R HA 0.384 4.735 4.340 0.018 0.000 0.299 309 R C -0.940 175.104 176.300 -0.425 0.000 1.064 309 R CA -0.202 55.529 56.100 -0.615 0.000 1.000 309 R CB 0.367 29.932 30.300 -1.225 0.000 0.973 309 R HN 0.517 nan 8.270 nan 0.000 0.438 310 V N 8.756 128.405 119.914 -0.442 0.000 2.389 310 V HA 0.205 4.336 4.120 0.018 0.000 0.264 310 V C -1.827 173.976 176.094 -0.485 0.000 1.049 310 V CA -1.817 60.073 62.300 -0.683 0.000 0.932 310 V CB 0.919 32.494 31.823 -0.414 0.000 1.011 310 V HN 0.876 nan 8.190 nan 0.000 0.475 311 P HA 0.019 nan 4.420 nan 0.000 0.263 311 P C -1.820 175.352 177.300 -0.213 0.000 1.175 311 P CA -0.968 61.963 63.100 -0.282 0.000 0.761 311 P CB 0.008 31.587 31.700 -0.202 0.000 0.794 312 P HA -0.150 nan 4.420 nan 0.000 0.221 312 P C 1.322 178.568 177.300 -0.090 0.000 1.145 312 P CA 1.236 64.269 63.100 -0.111 0.000 0.795 312 P CB 0.139 31.787 31.700 -0.087 0.000 0.775 313 R N 0.203 120.653 120.500 -0.083 0.000 2.237 313 R HA 0.073 4.423 4.340 0.018 0.000 0.219 313 R C 1.020 177.281 176.300 -0.065 0.000 1.080 313 R CA 0.295 56.356 56.100 -0.065 0.000 0.995 313 R CB -1.212 29.057 30.300 -0.052 0.000 0.875 313 R HN 0.176 nan 8.270 nan 0.000 0.462 314 I N 2.151 122.674 120.570 -0.078 0.000 2.441 314 I HA 0.088 4.269 4.170 0.018 0.000 0.287 314 I C 0.121 176.210 176.117 -0.046 0.000 1.049 314 I CA -0.410 60.858 61.300 -0.054 0.000 1.381 314 I CB 0.756 38.726 38.000 -0.050 0.000 1.409 314 I HN 0.243 nan 8.210 nan 0.000 0.523 315 D N 3.532 123.911 120.400 -0.036 0.000 2.654 315 D HA 0.232 4.883 4.640 0.018 0.000 0.255 315 D C 0.845 177.131 176.300 -0.023 0.000 1.101 315 D CA -0.478 53.493 54.000 -0.048 0.000 1.116 315 D CB 0.742 41.498 40.800 -0.073 0.000 1.348 315 D HN 0.446 nan 8.370 nan 0.000 0.609 316 S N -0.604 115.065 115.700 -0.050 0.000 2.359 316 S HA -0.124 4.357 4.470 0.018 0.000 0.223 316 S C 2.181 176.693 174.600 -0.146 0.000 1.039 316 S CA 1.503 59.696 58.200 -0.011 0.000 1.042 316 S CB -1.621 61.585 63.200 0.009 0.000 0.915 316 S HN 0.750 nan 8.310 nan 0.000 0.439 317 G N 2.286 110.820 108.800 -0.444 0.000 2.514 317 G HA2 -0.154 3.817 3.960 0.018 0.000 0.217 317 G HA3 -0.154 3.817 3.960 0.018 0.000 0.217 317 G C 1.491 176.044 174.900 -0.579 0.000 1.198 317 G CA 1.188 45.604 45.100 -1.140 0.000 0.780 317 G HN 0.499 nan 8.290 nan 0.000 0.565 318 L N -1.037 120.027 121.223 -0.264 0.000 2.131 318 L HA -0.067 4.284 4.340 0.018 0.000 0.210 318 L C 2.585 179.448 176.870 -0.012 0.000 1.092 318 L CA 1.090 55.863 54.840 -0.112 0.000 0.759 318 L CB -0.451 41.567 42.059 -0.069 0.000 0.903 318 L HN 0.322 nan 8.230 nan 0.000 0.435 319 Y N 0.928 121.197 120.300 -0.052 0.000 2.145 319 Y HA -0.254 4.307 4.550 0.019 0.000 0.286 319 Y C 2.300 178.268 175.900 0.112 0.000 1.145 319 Y CA 1.685 59.824 58.100 0.064 0.000 1.148 319 Y CB -0.114 38.391 38.460 0.075 0.000 0.981 319 Y HN 0.017 nan 8.280 nan 0.000 0.507 320 L N -0.182 121.162 121.223 0.201 0.000 2.291 320 L HA 0.141 4.492 4.340 0.018 0.000 0.214 320 L C 1.129 178.109 176.870 0.185 0.000 1.120 320 L CA 0.526 55.524 54.840 0.265 0.000 0.799 320 L CB -1.127 41.156 42.059 0.374 0.000 0.925 320 L HN 0.407 nan 8.230 nan 0.000 0.446 321 G N -0.490 108.346 108.800 0.060 0.000 2.719 321 G HA2 -0.206 3.765 3.960 0.018 0.000 0.686 321 G HA3 -0.206 3.765 3.960 0.018 0.000 0.686 321 G C 0.560 175.548 174.900 0.146 0.000 1.201 321 G CA -0.175 44.965 45.100 0.067 0.000 0.768 321 G HN 0.169 nan 8.290 nan 0.000 0.629 322 S N 0.820 116.588 115.700 0.112 0.000 2.371 322 S HA 0.085 4.566 4.470 0.018 0.000 0.224 322 S C 2.706 177.405 174.600 0.164 0.000 1.029 322 S CA 1.833 60.132 58.200 0.165 0.000 0.978 322 S CB -0.677 62.583 63.200 0.100 0.000 0.833 322 S HN 2.211 nan 8.310 nan 0.000 0.466 323 G N 1.269 110.143 108.800 0.122 0.000 2.628 323 G HA2 -0.311 3.659 3.960 0.018 0.000 0.217 323 G HA3 -0.311 3.659 3.960 0.018 0.000 0.217 323 G C 1.302 176.306 174.900 0.174 0.000 1.240 323 G CA 1.362 46.530 45.100 0.114 0.000 0.792 323 G HN 0.497 nan 8.290 nan 0.000 0.593 324 Y N 0.686 121.022 120.300 0.061 0.000 2.089 324 Y HA -0.061 4.500 4.550 0.018 0.000 0.282 324 Y C 2.479 178.447 175.900 0.113 0.000 1.139 324 Y CA 1.159 59.300 58.100 0.067 0.000 1.123 324 Y CB -1.071 37.429 38.460 0.067 0.000 0.980 324 Y HN 0.181 nan 8.280 nan 0.000 0.493 325 F N 0.605 120.500 119.950 -0.091 0.000 2.085 325 F HA -0.325 4.213 4.527 0.019 0.000 0.299 325 F C 2.459 178.163 175.800 -0.159 0.000 1.096 325 F CA 2.561 60.473 58.000 -0.146 0.000 1.227 325 F CB -1.133 37.879 39.000 0.018 0.000 0.983 325 F HN 0.055 nan 8.300 nan 0.000 0.482 326 T N 0.008 114.492 114.554 -0.116 0.000 2.821 326 T HA -0.068 4.293 4.350 0.018 0.000 0.267 326 T C 2.122 176.703 174.700 -0.199 0.000 1.046 326 T CA 1.168 63.159 62.100 -0.181 0.000 1.139 326 T CB -0.590 68.272 68.868 -0.009 0.000 0.871 326 T HN 0.368 nan 8.240 nan 0.000 0.454 327 A N 0.648 123.384 122.820 -0.139 0.000 1.969 327 A HA 0.026 4.357 4.320 0.018 0.000 0.218 327 A C 2.118 179.558 177.584 -0.240 0.000 1.169 327 A CA 1.122 53.089 52.037 -0.117 0.000 0.635 327 A CB -0.547 18.470 19.000 0.030 0.000 0.810 327 A HN 0.546 nan 8.150 nan 0.000 0.445 328 I N -0.315 119.987 120.570 -0.447 0.000 2.286 328 I HA -0.268 3.913 4.170 0.018 0.000 0.245 328 I C 2.666 178.467 176.117 -0.526 0.000 1.104 328 I CA 1.510 62.453 61.300 -0.595 0.000 1.397 328 I CB -0.339 37.031 38.000 -1.050 0.000 1.072 328 I HN 0.401 nan 8.210 nan 0.000 0.417 329 Q N 0.509 119.992 119.800 -0.529 0.000 2.123 329 Q HA -0.102 4.249 4.340 0.018 0.000 0.199 329 Q C 1.681 177.567 176.000 -0.190 0.000 0.966 329 Q CA 1.367 56.973 55.803 -0.329 0.000 0.845 329 Q CB -0.560 28.006 28.738 -0.287 0.000 0.907 329 Q HN 0.532 nan 8.270 nan 0.000 0.439 330 N N 0.661 119.265 118.700 -0.160 0.000 2.513 330 N HA -0.115 4.635 4.740 0.018 0.000 0.187 330 N C 1.171 176.665 175.510 -0.026 0.000 1.056 330 N CA 0.407 53.413 53.050 -0.074 0.000 0.907 330 N CB -0.051 38.400 38.487 -0.061 0.000 0.954 330 N HN 0.230 nan 8.380 nan 0.000 0.445 331 L N 0.022 121.198 121.223 -0.079 0.000 2.552 331 L HA 0.013 4.364 4.340 0.018 0.000 0.227 331 L C 0.736 177.626 176.870 0.032 0.000 1.146 331 L CA 0.611 55.409 54.840 -0.071 0.000 0.858 331 L CB 0.201 42.169 42.059 -0.152 0.000 0.969 331 L HN 0.017 nan 8.230 nan 0.000 0.451 332 R N -0.444 120.101 120.500 0.075 0.000 2.700 332 R HA 0.255 4.606 4.340 0.018 0.000 0.377 332 R C -0.660 175.731 176.300 0.153 0.000 1.130 332 R CA 0.028 56.216 56.100 0.146 0.000 1.055 332 R CB 0.384 30.718 30.300 0.057 0.000 1.387 332 R HN -0.011 nan 8.270 nan 0.000 0.580 333 K N -0.169 120.350 120.400 0.198 0.000 2.435 333 K HA 0.444 4.775 4.320 0.018 0.000 0.251 333 K C -0.515 176.076 176.600 -0.014 0.000 0.954 333 K CA -0.726 55.602 56.287 0.069 0.000 0.820 333 K CB 2.389 34.901 32.500 0.020 0.000 1.292 333 K HN 0.040 nan 8.250 nan 0.000 0.436 334 S N 0.509 116.125 115.700 -0.141 0.000 2.600 334 S HA 0.085 4.565 4.470 0.018 0.000 0.265 334 S C 0.729 175.235 174.600 -0.156 0.000 1.325 334 S CA -0.667 57.373 58.200 -0.268 0.000 1.002 334 S CB 0.909 63.980 63.200 -0.217 0.000 0.921 334 S HN 0.627 nan 8.310 nan 0.000 0.554 335 E N -0.001 120.101 120.200 -0.164 0.000 2.511 335 E HA -0.047 4.313 4.350 0.018 0.000 0.196 335 E C 0.700 177.246 176.600 -0.089 0.000 1.066 335 E CA 0.279 56.623 56.400 -0.094 0.000 0.871 335 E CB 0.108 29.754 29.700 -0.090 0.000 0.863 335 E HN 0.567 nan 8.360 nan 0.000 0.520 336 E N 0.277 120.416 120.200 -0.102 0.000 2.110 336 E HA -0.073 4.288 4.350 0.018 0.000 0.193 336 E C 1.691 178.249 176.600 -0.070 0.000 0.950 336 E CA 0.455 56.804 56.400 -0.084 0.000 0.840 336 E CB 0.062 29.708 29.700 -0.090 0.000 0.809 336 E HN 0.149 nan 8.360 nan 0.000 0.465 337 E N 0.654 120.808 120.200 -0.076 0.000 2.051 337 E HA -0.176 4.185 4.350 0.018 0.000 0.192 337 E C 1.886 178.455 176.600 -0.051 0.000 0.991 337 E CA 1.447 57.811 56.400 -0.060 0.000 0.799 337 E CB 0.071 29.736 29.700 -0.059 0.000 0.748 337 E HN 0.034 nan 8.360 nan 0.000 0.449 338 V N 1.125 121.009 119.914 -0.051 0.000 2.392 338 V HA -0.265 3.865 4.120 0.018 0.000 0.249 338 V C 2.377 178.447 176.094 -0.041 0.000 1.059 338 V CA 1.888 64.164 62.300 -0.041 0.000 1.051 338 V CB -0.639 31.165 31.823 -0.033 0.000 0.658 338 V HN 0.480 nan 8.190 nan 0.000 0.455 339 A N -0.654 122.138 122.820 -0.046 0.000 2.072 339 A HA 0.205 4.536 4.320 0.018 0.000 0.216 339 A C 2.342 179.903 177.584 -0.038 0.000 1.156 339 A CA 1.338 53.351 52.037 -0.041 0.000 0.701 339 A CB -0.408 18.565 19.000 -0.045 0.000 0.816 339 A HN 0.513 nan 8.150 nan 0.000 0.458 340 A N 0.422 123.217 122.820 -0.042 0.000 1.858 340 A HA -0.143 4.188 4.320 0.018 0.000 0.216 340 A C 2.153 179.716 177.584 -0.036 0.000 1.190 340 A CA 1.980 53.993 52.037 -0.040 0.000 0.617 340 A CB -0.495 18.479 19.000 -0.044 0.000 0.827 340 A HN 0.391 nan 8.150 nan 0.000 0.443 341 R N 0.183 120.662 120.500 -0.034 0.000 2.117 341 R HA -0.098 4.253 4.340 0.018 0.000 0.243 341 R C 2.211 178.498 176.300 -0.022 0.000 1.143 341 R CA 1.854 57.937 56.100 -0.029 0.000 0.968 341 R CB -0.608 29.674 30.300 -0.030 0.000 0.863 341 R HN 0.585 nan 8.270 nan 0.000 0.444 342 R N -0.831 119.655 120.500 -0.023 0.000 2.066 342 R HA -0.002 4.348 4.340 0.018 0.000 0.232 342 R C 2.111 178.404 176.300 -0.013 0.000 1.131 342 R CA 1.438 57.528 56.100 -0.016 0.000 0.955 342 R CB -0.417 29.872 30.300 -0.019 0.000 0.851 342 R HN 0.303 nan 8.270 nan 0.000 0.432 343 A N 1.523 124.332 122.820 -0.019 0.000 2.014 343 A HA -0.118 4.213 4.320 0.018 0.000 0.218 343 A C 1.305 178.879 177.584 -0.017 0.000 1.163 343 A CA 0.269 52.294 52.037 -0.019 0.000 0.652 343 A CB -0.305 18.678 19.000 -0.029 0.000 0.808 343 A HN 0.229 nan 8.150 nan 0.000 0.449 344 R N 0.000 120.488 120.500 -0.021 0.000 2.438 344 R HA 0.381 4.732 4.340 0.018 0.000 0.287 344 R C -1.331 174.966 176.300 -0.005 0.000 1.077 344 R CA -0.064 56.021 56.100 -0.025 0.000 1.034 344 R CB 0.587 30.868 30.300 -0.032 0.000 0.993 344 R HN -0.002 nan 8.270 nan 0.000 0.459 345 V N 5.752 125.667 119.914 0.003 0.000 2.370 345 V HA 0.248 4.379 4.120 0.018 0.000 0.283 345 V C -0.436 175.684 176.094 0.044 0.000 1.023 345 V CA -0.754 61.576 62.300 0.051 0.000 0.857 345 V CB 1.708 33.606 31.823 0.125 0.000 0.985 345 V HN 0.612 nan 8.190 nan 0.000 0.443 346 V N 4.829 124.767 119.914 0.040 0.000 2.364 346 V HA 0.286 4.417 4.120 0.018 0.000 0.272 346 V C -0.077 176.057 176.094 0.067 0.000 1.036 346 V CA -0.628 61.693 62.300 0.035 0.000 0.880 346 V CB 1.139 32.964 31.823 0.002 0.000 0.991 346 V HN 0.844 nan 8.190 nan 0.000 0.460 347 W N 4.760 126.017 121.300 -0.072 0.000 2.316 347 W HA 0.407 5.079 4.660 0.019 0.000 0.321 347 W C -0.289 176.218 176.519 -0.020 0.000 1.203 347 W CA -0.490 56.839 57.345 -0.027 0.000 1.214 347 W CB 1.717 31.166 29.460 -0.020 0.000 1.169 347 W HN 0.576 nan 8.180 nan 0.000 0.561 348 c N 5.333 123.774 118.600 -0.264 0.000 2.281 348 c HA 0.734 5.315 4.570 0.018 0.000 0.325 348 c C 0.186 174.275 174.090 -0.002 0.000 1.282 348 c CA -0.325 55.935 56.329 -0.114 0.000 1.640 348 c CB -0.531 41.871 42.510 -0.181 0.000 2.288 348 c HN 0.586 nan 8.230 nan 0.000 0.507 349 A N 5.399 128.274 122.820 0.091 0.000 2.276 349 A HA 0.649 4.980 4.320 0.018 0.000 0.316 349 A C -0.518 177.081 177.584 0.025 0.000 1.229 349 A CA -0.306 51.803 52.037 0.120 0.000 0.851 349 A CB 0.686 19.768 19.000 0.138 0.000 1.165 349 A HN 0.827 nan 8.150 nan 0.000 0.513 350 V N 3.067 122.982 119.914 0.002 0.000 2.353 350 V HA 0.604 4.735 4.120 0.018 0.000 0.264 350 V C 0.935 176.993 176.094 -0.059 0.000 1.049 350 V CA 0.859 63.124 62.300 -0.058 0.000 0.896 350 V CB -0.487 31.276 31.823 -0.100 0.000 1.025 350 V HN 1.893 nan 8.190 nan 0.000 0.475 351 G N 4.975 113.739 108.800 -0.060 0.000 2.746 351 G HA2 -0.111 3.860 3.960 0.018 0.000 0.685 351 G HA3 -0.111 3.860 3.960 0.018 0.000 0.685 351 G C 0.158 175.050 174.900 -0.015 0.000 1.350 351 G CA -0.118 44.948 45.100 -0.057 0.000 0.837 351 G HN 0.604 nan 8.290 nan 0.000 0.564 352 E N 0.336 120.528 120.200 -0.012 0.000 2.051 352 E HA -0.117 4.244 4.350 0.018 0.000 0.192 352 E C 2.660 179.276 176.600 0.027 0.000 0.991 352 E CA 2.259 58.662 56.400 0.006 0.000 0.799 352 E CB -0.410 29.293 29.700 0.004 0.000 0.748 352 E HN 0.786 nan 8.360 nan 0.000 0.449 353 Q N 0.639 120.457 119.800 0.030 0.000 2.124 353 Q HA -0.098 4.253 4.340 0.018 0.000 0.202 353 Q C 2.027 178.074 176.000 0.077 0.000 0.977 353 Q CA 1.214 57.050 55.803 0.055 0.000 0.850 353 Q CB -0.234 28.539 28.738 0.058 0.000 0.901 353 Q HN 0.406 nan 8.270 nan 0.000 0.429 354 E N 0.645 120.891 120.200 0.078 0.000 2.204 354 E HA -0.149 4.212 4.350 0.018 0.000 0.194 354 E C 1.949 178.622 176.600 0.122 0.000 0.989 354 E CA 0.536 57.004 56.400 0.113 0.000 0.824 354 E CB -0.013 29.753 29.700 0.111 0.000 0.756 354 E HN 0.209 nan 8.360 nan 0.000 0.477 355 L N 1.121 122.396 121.223 0.087 0.000 2.072 355 L HA -0.110 4.241 4.340 0.018 0.000 0.205 355 L C 2.260 179.173 176.870 0.072 0.000 1.079 355 L CA 1.515 56.402 54.840 0.078 0.000 0.752 355 L CB -0.145 41.942 42.059 0.046 0.000 0.906 355 L HN -0.149 nan 8.230 nan 0.000 0.436 356 R N 0.075 120.614 120.500 0.065 0.000 2.096 356 R HA -0.251 4.100 4.340 0.018 0.000 0.240 356 R C 2.352 178.700 176.300 0.080 0.000 1.139 356 R CA 2.293 58.428 56.100 0.058 0.000 0.952 356 R CB -0.451 29.884 30.300 0.060 0.000 0.854 356 R HN 0.447 nan 8.270 nan 0.000 0.436 357 K N -0.415 120.060 120.400 0.125 0.000 2.217 357 K HA -0.112 4.219 4.320 0.018 0.000 0.202 357 K C 2.114 178.843 176.600 0.216 0.000 1.051 357 K CA 1.404 57.808 56.287 0.196 0.000 0.952 357 K CB -0.311 32.325 32.500 0.227 0.000 0.736 357 K HN 0.238 nan 8.250 nan 0.000 0.453 358 c N 1.319 120.032 118.600 0.189 0.000 2.473 358 c HA -0.051 4.530 4.570 0.018 0.000 0.279 358 c C 2.352 176.472 174.090 0.051 0.000 1.250 358 c CA 1.140 57.584 56.329 0.191 0.000 1.713 358 c CB -1.259 41.355 42.510 0.173 0.000 2.066 358 c HN 0.616 nan 8.230 nan 0.000 0.474 359 N N 0.539 119.246 118.700 0.012 0.000 2.036 359 N HA -0.250 4.501 4.740 0.018 0.000 0.199 359 N C 1.730 177.180 175.510 -0.101 0.000 1.036 359 N CA 2.087 55.110 53.050 -0.045 0.000 0.870 359 N CB -0.968 37.506 38.487 -0.022 0.000 1.055 359 N HN 0.760 nan 8.380 nan 0.000 0.436 360 Q N -0.959 118.785 119.800 -0.093 0.000 2.096 360 Q HA -0.210 4.141 4.340 0.018 0.000 0.208 360 Q C 1.955 177.673 176.000 -0.470 0.000 0.993 360 Q CA 1.817 57.495 55.803 -0.209 0.000 0.862 360 Q CB -0.296 28.373 28.738 -0.114 0.000 0.915 360 Q HN 0.565 nan 8.270 nan 0.000 0.416 361 W N 0.424 121.247 121.300 -0.795 0.000 2.418 361 W HA -0.015 4.655 4.660 0.018 0.000 0.292 361 W C 2.348 178.563 176.519 -0.508 0.000 1.213 361 W CA 1.324 58.039 57.345 -1.049 0.000 1.283 361 W CB -0.914 28.229 29.460 -0.529 0.000 1.119 361 W HN 0.142 nan 8.180 nan 0.000 0.542 362 S N 0.142 115.625 115.700 -0.362 0.000 2.343 362 S HA -0.109 4.372 4.470 0.018 0.000 0.219 362 S C 2.214 176.675 174.600 -0.232 0.000 1.033 362 S CA 2.292 60.266 58.200 -0.378 0.000 1.014 362 S CB -1.233 61.821 63.200 -0.243 0.000 0.915 362 S HN 0.347 nan 8.310 nan 0.000 0.435 363 G N 0.889 109.576 108.800 -0.189 0.000 2.503 363 G HA2 -0.194 3.777 3.960 0.018 0.000 0.221 363 G HA3 -0.194 3.777 3.960 0.018 0.000 0.221 363 G C 1.204 176.042 174.900 -0.103 0.000 1.131 363 G CA 1.148 46.168 45.100 -0.133 0.000 0.756 363 G HN 0.516 nan 8.290 nan 0.000 0.572 364 L N 1.330 122.480 121.223 -0.122 0.000 2.592 364 L HA 0.178 4.529 4.340 0.018 0.000 0.227 364 L C 2.355 179.337 176.870 0.187 0.000 1.127 364 L CA 0.858 55.695 54.840 -0.004 0.000 0.884 364 L CB 0.572 42.492 42.059 -0.232 0.000 1.065 364 L HN 0.282 nan 8.230 nan 0.000 0.457 365 S N -1.822 113.922 115.700 0.073 0.000 2.575 365 S HA 0.052 4.533 4.470 0.018 0.000 0.215 365 S C 0.602 175.251 174.600 0.083 0.000 0.966 365 S CA -0.253 58.028 58.200 0.135 0.000 0.911 365 S CB -0.256 62.899 63.200 -0.075 0.000 0.780 365 S HN 0.456 nan 8.310 nan 0.000 0.514 366 E N 0.582 120.813 120.200 0.050 0.000 2.389 366 E HA -0.185 4.176 4.350 0.018 0.000 0.243 366 E C 0.757 177.341 176.600 -0.026 0.000 1.154 366 E CA 0.170 56.580 56.400 0.017 0.000 0.723 366 E CB -2.257 27.459 29.700 0.027 0.000 1.261 366 E HN 0.913 nan 8.360 nan 0.000 0.390 367 G N 0.114 108.887 108.800 -0.044 0.000 2.212 367 G HA2 -0.452 3.519 3.960 0.018 0.000 0.267 367 G HA3 -0.452 3.519 3.960 0.018 0.000 0.267 367 G C 0.957 175.810 174.900 -0.079 0.000 1.002 367 G CA 1.265 46.326 45.100 -0.066 0.000 0.729 367 G HN 0.925 nan 8.290 nan 0.000 0.517 368 S N -1.989 113.661 115.700 -0.083 0.000 2.461 368 S HA 0.389 4.870 4.470 0.018 0.000 0.228 368 S C 0.764 175.295 174.600 -0.114 0.000 1.005 368 S CA 0.986 59.136 58.200 -0.083 0.000 0.942 368 S CB 0.555 63.713 63.200 -0.070 0.000 0.776 368 S HN 0.905 nan 8.310 nan 0.000 0.514 369 V N 1.315 121.106 119.914 -0.205 0.000 2.483 369 V HA 0.637 4.768 4.120 0.018 0.000 0.297 369 V C -0.194 175.718 176.094 -0.303 0.000 1.027 369 V CA -0.505 61.589 62.300 -0.344 0.000 0.855 369 V CB 1.455 32.769 31.823 -0.848 0.000 0.995 369 V HN 0.401 nan 8.190 nan 0.000 0.424 370 T N 3.751 118.192 114.554 -0.188 0.000 2.930 370 T HA 0.610 4.971 4.350 0.018 0.000 0.290 370 T C -0.654 174.001 174.700 -0.076 0.000 1.052 370 T CA -0.227 61.796 62.100 -0.129 0.000 1.017 370 T CB 1.404 70.224 68.868 -0.079 0.000 1.137 370 T HN 0.748 nan 8.240 nan 0.000 0.511 371 c N 1.779 120.357 118.600 -0.037 0.000 2.493 371 c HA 0.897 5.478 4.570 0.018 0.000 0.326 371 c C 0.324 174.431 174.090 0.029 0.000 1.200 371 c CA -0.614 55.733 56.329 0.031 0.000 1.739 371 c CB 1.235 43.762 42.510 0.028 0.000 2.300 371 c HN 0.897 nan 8.230 nan 0.000 0.500 372 S N 0.668 116.397 115.700 0.049 0.000 2.671 372 S HA 0.887 5.368 4.470 0.018 0.000 0.299 372 S C -0.791 173.821 174.600 0.020 0.000 1.116 372 S CA -0.254 57.956 58.200 0.018 0.000 0.912 372 S CB 1.768 64.966 63.200 -0.004 0.000 1.130 372 S HN 1.033 nan 8.310 nan 0.000 0.501 373 S N 0.559 116.258 115.700 -0.001 0.000 2.607 373 S HA 0.912 5.393 4.470 0.018 0.000 0.273 373 S C -1.339 173.244 174.600 -0.028 0.000 1.148 373 S CA 0.102 58.298 58.200 -0.006 0.000 0.833 373 S CB 1.234 64.436 63.200 0.004 0.000 1.130 373 S HN 1.697 nan 8.310 nan 0.000 0.470 374 A N 0.813 123.608 122.820 -0.041 0.000 2.586 374 A HA 0.671 5.002 4.320 0.018 0.000 0.291 374 A C 0.410 177.952 177.584 -0.069 0.000 1.062 374 A CA 0.060 52.062 52.037 -0.057 0.000 0.666 374 A CB 0.468 19.427 19.000 -0.070 0.000 1.281 374 A HN 1.470 nan 8.150 nan 0.000 0.421 375 S N -0.733 114.921 115.700 -0.076 0.000 2.478 375 S HA 0.263 4.744 4.470 0.018 0.000 0.222 375 S C 0.915 175.442 174.600 -0.122 0.000 1.008 375 S CA 1.239 59.384 58.200 -0.091 0.000 0.928 375 S CB -0.395 62.759 63.200 -0.076 0.000 0.781 375 S HN 1.964 nan 8.310 nan 0.000 0.518 376 T N -2.334 112.146 114.554 -0.123 0.000 2.887 376 T HA 0.491 4.852 4.350 0.018 0.000 0.292 376 T C 0.743 175.339 174.700 -0.174 0.000 1.087 376 T CA -0.330 61.680 62.100 -0.149 0.000 1.009 376 T CB 1.301 70.097 68.868 -0.120 0.000 1.203 376 T HN -0.103 nan 8.240 nan 0.000 0.518 377 T N 0.839 115.243 114.554 -0.251 0.000 2.777 377 T HA -0.035 4.326 4.350 0.018 0.000 0.266 377 T C 1.658 176.192 174.700 -0.277 0.000 1.040 377 T CA 1.726 63.612 62.100 -0.356 0.000 1.141 377 T CB -0.382 68.031 68.868 -0.758 0.000 0.868 377 T HN 0.749 nan 8.240 nan 0.000 0.444 378 E N 1.153 121.222 120.200 -0.217 0.000 2.051 378 E HA -0.114 4.247 4.350 0.018 0.000 0.192 378 E C 2.101 178.635 176.600 -0.110 0.000 0.991 378 E CA 1.116 57.438 56.400 -0.130 0.000 0.799 378 E CB -0.231 29.421 29.700 -0.081 0.000 0.748 378 E HN 0.324 nan 8.360 nan 0.000 0.449 379 D N -0.652 119.684 120.400 -0.108 0.000 2.182 379 D HA -0.139 4.512 4.640 0.018 0.000 0.201 379 D C 1.751 177.994 176.300 -0.094 0.000 0.986 379 D CA 0.744 54.691 54.000 -0.089 0.000 0.847 379 D CB -0.364 40.386 40.800 -0.084 0.000 0.942 379 D HN 0.224 nan 8.370 nan 0.000 0.467 380 c N -0.035 118.493 118.600 -0.120 0.000 2.457 380 c HA 0.042 4.623 4.570 0.018 0.000 0.278 380 c C 2.769 176.783 174.090 -0.127 0.000 1.309 380 c CA -0.180 56.074 56.329 -0.125 0.000 1.735 380 c CB -0.838 41.583 42.510 -0.150 0.000 1.992 380 c HN 0.312 nan 8.230 nan 0.000 0.493 381 I N 1.171 121.663 120.570 -0.129 0.000 2.226 381 I HA -0.202 3.979 4.170 0.018 0.000 0.245 381 I C 2.699 178.763 176.117 -0.088 0.000 1.100 381 I CA 1.609 62.842 61.300 -0.111 0.000 1.374 381 I CB -0.439 37.502 38.000 -0.098 0.000 1.057 381 I HN 0.279 nan 8.210 nan 0.000 0.413 382 A N 1.045 123.817 122.820 -0.080 0.000 1.865 382 A HA -0.183 4.148 4.320 0.018 0.000 0.217 382 A C 2.255 179.803 177.584 -0.060 0.000 1.191 382 A CA 1.560 53.556 52.037 -0.068 0.000 0.623 382 A CB -1.061 17.899 19.000 -0.066 0.000 0.826 382 A HN 0.415 nan 8.150 nan 0.000 0.444 383 L N -0.182 121.007 121.223 -0.057 0.000 2.187 383 L HA -0.157 4.194 4.340 0.018 0.000 0.213 383 L C 2.483 179.332 176.870 -0.034 0.000 1.100 383 L CA 1.262 56.081 54.840 -0.035 0.000 0.765 383 L CB -0.780 41.258 42.059 -0.035 0.000 0.904 383 L HN 0.387 nan 8.230 nan 0.000 0.437 384 V N -0.374 119.504 119.914 -0.060 0.000 2.667 384 V HA -0.145 3.986 4.120 0.018 0.000 0.252 384 V C 2.185 178.259 176.094 -0.033 0.000 1.065 384 V CA 1.198 63.464 62.300 -0.058 0.000 1.083 384 V CB 0.010 31.776 31.823 -0.096 0.000 0.692 384 V HN 0.340 nan 8.190 nan 0.000 0.468 385 L N -0.087 121.114 121.223 -0.037 0.000 2.027 385 L HA -0.076 4.275 4.340 0.018 0.000 0.206 385 L C 2.623 179.495 176.870 0.003 0.000 1.074 385 L CA 1.905 56.728 54.840 -0.028 0.000 0.745 385 L CB -0.558 41.473 42.059 -0.047 0.000 0.898 385 L HN 0.191 nan 8.230 nan 0.000 0.433 386 K N 0.194 120.596 120.400 0.003 0.000 2.585 386 K HA -0.025 4.306 4.320 0.018 0.000 0.194 386 K C 1.261 177.984 176.600 0.204 0.000 1.037 386 K CA 0.625 56.950 56.287 0.064 0.000 0.964 386 K CB -0.252 32.263 32.500 0.024 0.000 0.787 386 K HN 0.462 nan 8.250 nan 0.000 0.488 387 G N 1.550 110.414 108.800 0.106 0.000 2.175 387 G HA2 -0.370 3.601 3.960 0.018 0.000 0.265 387 G HA3 -0.370 3.601 3.960 0.018 0.000 0.265 387 G C 0.571 175.510 174.900 0.067 0.000 0.979 387 G CA 0.801 45.949 45.100 0.080 0.000 0.663 387 G HN 0.548 nan 8.290 nan 0.000 0.533 388 E N -0.058 120.189 120.200 0.078 0.000 2.481 388 E HA 0.501 4.862 4.350 0.018 0.000 0.195 388 E C 1.109 177.717 176.600 0.013 0.000 1.047 388 E CA 0.956 57.389 56.400 0.056 0.000 0.867 388 E CB -0.045 29.703 29.700 0.080 0.000 0.858 388 E HN 1.084 nan 8.360 nan 0.000 0.513 389 A N -0.313 122.501 122.820 -0.010 0.000 2.587 389 A HA 0.418 4.749 4.320 0.018 0.000 0.293 389 A C -0.812 176.736 177.584 -0.061 0.000 1.087 389 A CA -0.709 51.302 52.037 -0.043 0.000 0.692 389 A CB 1.414 20.373 19.000 -0.068 0.000 1.291 389 A HN 0.096 nan 8.150 nan 0.000 0.407 390 D N -0.511 119.835 120.400 -0.090 0.000 2.457 390 D HA 0.476 5.127 4.640 0.018 0.000 0.254 390 D C 0.458 176.652 176.300 -0.177 0.000 1.097 390 D CA 1.422 55.368 54.000 -0.090 0.000 0.870 390 D CB 1.258 42.037 40.800 -0.035 0.000 1.253 390 D HN 0.965 nan 8.370 nan 0.000 0.500 391 A N 0.488 123.098 122.820 -0.350 0.000 2.586 391 A HA 0.784 5.115 4.320 0.018 0.000 0.290 391 A C -1.565 175.341 177.584 -1.130 0.000 1.086 391 A CA -0.699 50.979 52.037 -0.597 0.000 0.665 391 A CB 1.474 20.135 19.000 -0.564 0.000 1.279 391 A HN 0.043 nan 8.150 nan 0.000 0.423 392 M N -0.740 118.278 119.600 -0.971 0.000 2.605 392 M HA 0.605 5.096 4.480 0.018 0.000 0.281 392 M C -0.729 175.406 176.300 -0.275 0.000 1.166 392 M CA -0.449 54.379 55.300 -0.786 0.000 0.875 392 M CB 1.569 33.907 32.600 -0.437 0.000 1.732 392 M HN 0.782 nan 8.290 nan 0.000 0.504 393 S N 1.602 117.291 115.700 -0.019 0.000 2.499 393 S HA 0.829 5.310 4.470 0.018 0.000 0.279 393 S C -0.991 173.664 174.600 0.093 0.000 1.219 393 S CA -0.512 57.777 58.200 0.150 0.000 1.062 393 S CB 0.320 63.686 63.200 0.277 0.000 0.978 393 S HN 0.595 nan 8.310 nan 0.000 0.489 394 L N 3.102 124.390 121.223 0.108 0.000 2.350 394 L HA 0.515 4.866 4.340 0.018 0.000 0.260 394 L C -0.354 176.477 176.870 -0.065 0.000 1.015 394 L CA -1.107 53.782 54.840 0.081 0.000 0.821 394 L CB 1.948 44.097 42.059 0.150 0.000 1.370 394 L HN 0.593 nan 8.230 nan 0.000 0.416 395 D N 0.301 120.547 120.400 -0.256 0.000 2.372 395 D HA 0.178 4.829 4.640 0.018 0.000 0.243 395 D C 1.286 177.595 176.300 0.014 0.000 1.121 395 D CA 0.575 54.221 54.000 -0.591 0.000 0.898 395 D CB 1.758 42.318 40.800 -0.400 0.000 1.202 395 D HN 0.613 nan 8.370 nan 0.000 0.428 396 G N 2.438 111.355 108.800 0.196 0.000 2.503 396 G HA2 -0.302 3.669 3.960 0.018 0.000 0.221 396 G HA3 -0.302 3.669 3.960 0.018 0.000 0.221 396 G C 1.426 176.527 174.900 0.334 0.000 1.131 396 G CA 0.868 46.148 45.100 0.299 0.000 0.756 396 G HN 0.656 nan 8.290 nan 0.000 0.572 397 G N 0.051 108.949 108.800 0.163 0.000 2.476 397 G HA2 -0.254 3.717 3.960 0.018 0.000 0.218 397 G HA3 -0.254 3.717 3.960 0.018 0.000 0.218 397 G C 1.596 176.535 174.900 0.065 0.000 1.164 397 G CA 1.203 46.314 45.100 0.019 0.000 0.768 397 G HN 0.483 nan 8.290 nan 0.000 0.560 398 Y N 0.071 120.474 120.300 0.171 0.000 2.457 398 Y HA 0.132 4.692 4.550 0.018 0.000 0.292 398 Y C 2.831 178.810 175.900 0.133 0.000 1.125 398 Y CA -0.245 57.925 58.100 0.116 0.000 1.254 398 Y CB -0.552 37.932 38.460 0.040 0.000 1.012 398 Y HN 0.049 nan 8.280 nan 0.000 0.555 399 V N -0.558 119.554 119.914 0.330 0.000 2.759 399 V HA -0.294 3.837 4.120 0.018 0.000 0.256 399 V C 2.024 178.310 176.094 0.321 0.000 1.080 399 V CA 1.671 64.145 62.300 0.291 0.000 1.101 399 V CB -0.820 31.214 31.823 0.351 0.000 0.698 399 V HN 0.486 nan 8.190 nan 0.000 0.477 400 Y N 1.358 121.815 120.300 0.262 0.000 2.153 400 Y HA -0.222 4.336 4.550 0.014 0.000 0.289 400 Y C 2.898 178.820 175.900 0.037 0.000 1.127 400 Y CA 2.335 60.599 58.100 0.275 0.000 1.131 400 Y CB -0.642 37.948 38.460 0.216 0.000 0.995 400 Y HN 0.264 nan 8.280 nan 0.000 0.505 401 T N -0.152 114.501 114.554 0.165 0.000 2.788 401 T HA -0.156 4.205 4.350 0.018 0.000 0.268 401 T C 2.022 176.628 174.700 -0.156 0.000 1.044 401 T CA 1.591 63.664 62.100 -0.044 0.000 1.139 401 T CB -0.763 68.204 68.868 0.164 0.000 0.867 401 T HN 0.459 nan 8.240 nan 0.000 0.454 402 A N 0.765 123.540 122.820 -0.075 0.000 1.972 402 A HA 0.242 4.573 4.320 0.018 0.000 0.219 402 A C 2.666 180.113 177.584 -0.229 0.000 1.169 402 A CA 1.736 53.706 52.037 -0.112 0.000 0.635 402 A CB -1.514 17.457 19.000 -0.047 0.000 0.810 402 A HN 0.638 nan 8.150 nan 0.000 0.446 403 G N -0.241 108.347 108.800 -0.352 0.000 2.433 403 G HA2 -0.235 3.736 3.960 0.018 0.000 0.216 403 G HA3 -0.235 3.736 3.960 0.018 0.000 0.216 403 G C 1.681 175.972 174.900 -1.014 0.000 1.186 403 G CA 1.006 45.651 45.100 -0.757 0.000 0.779 403 G HN 0.450 nan 8.290 nan 0.000 0.543 404 K N -0.207 119.622 120.400 -0.953 0.000 2.097 404 K HA -0.068 4.263 4.320 0.018 0.000 0.206 404 K C 2.356 178.748 176.600 -0.346 0.000 1.049 404 K CA 0.973 56.887 56.287 -0.621 0.000 0.933 404 K CB -0.446 31.715 32.500 -0.564 0.000 0.717 404 K HN 0.338 nan 8.250 nan 0.000 0.442 405 c N 0.237 118.666 118.600 -0.286 0.000 2.511 405 c HA 0.087 4.668 4.570 0.018 0.000 0.277 405 c C 1.514 175.513 174.090 -0.151 0.000 1.451 405 c CA 0.505 56.732 56.329 -0.170 0.000 1.735 405 c CB -1.198 41.236 42.510 -0.126 0.000 1.704 405 c HN 0.749 nan 8.230 nan 0.000 0.571 406 G N 0.141 108.829 108.800 -0.186 0.000 2.157 406 G HA2 -0.207 3.764 3.960 0.018 0.000 0.248 406 G HA3 -0.207 3.764 3.960 0.018 0.000 0.248 406 G C 0.047 174.895 174.900 -0.087 0.000 0.979 406 G CA -0.181 44.848 45.100 -0.118 0.000 0.650 406 G HN 0.508 nan 8.290 nan 0.000 0.529 407 L N 0.510 121.672 121.223 -0.102 0.000 2.439 407 L HA 0.675 5.026 4.340 0.018 0.000 0.261 407 L C 1.151 178.006 176.870 -0.025 0.000 1.153 407 L CA -0.710 54.094 54.840 -0.060 0.000 0.808 407 L CB 1.264 43.281 42.059 -0.070 0.000 1.126 407 L HN 0.286 nan 8.230 nan 0.000 0.460 408 V N -0.839 119.073 119.914 -0.004 0.000 2.815 408 V HA 0.607 4.738 4.120 0.018 0.000 0.314 408 V C -2.553 173.540 176.094 -0.001 0.000 1.064 408 V CA -2.512 59.805 62.300 0.028 0.000 0.952 408 V CB 1.410 33.255 31.823 0.038 0.000 1.020 408 V HN 0.538 nan 8.190 nan 0.000 0.439 409 P HA 0.214 nan 4.420 nan 0.000 0.268 409 P C 0.402 177.653 177.300 -0.083 0.000 1.204 409 P CA 0.117 63.140 63.100 -0.129 0.000 0.768 409 P CB 1.346 32.844 31.700 -0.336 0.000 0.842 410 V N 2.922 122.799 119.914 -0.062 0.000 2.854 410 V HA 0.200 4.331 4.120 0.018 0.000 0.236 410 V C 0.933 177.021 176.094 -0.009 0.000 1.157 410 V CA 0.836 63.132 62.300 -0.008 0.000 1.187 410 V CB -0.479 31.365 31.823 0.035 0.000 0.949 410 V HN 0.330 nan 8.190 nan 0.000 0.488 411 L N -0.384 120.843 121.223 0.006 0.000 2.376 411 L HA 0.878 5.228 4.340 0.018 0.000 0.258 411 L C -0.634 176.234 176.870 -0.003 0.000 1.013 411 L CA -0.638 54.210 54.840 0.013 0.000 0.822 411 L CB 2.047 44.149 42.059 0.072 0.000 1.388 411 L HN 0.157 nan 8.230 nan 0.000 0.413 412 A N 0.543 123.361 122.820 -0.003 0.000 2.320 412 A HA 0.633 4.964 4.320 0.018 0.000 0.334 412 A C -0.682 176.896 177.584 -0.010 0.000 1.147 412 A CA -0.539 51.520 52.037 0.036 0.000 0.820 412 A CB 0.840 19.921 19.000 0.136 0.000 1.218 412 A HN 0.739 nan 8.150 nan 0.000 0.482 413 E N 1.457 121.635 120.200 -0.035 0.000 2.290 413 E HA 0.093 4.454 4.350 0.018 0.000 0.277 413 E C -0.695 175.505 176.600 -0.665 0.000 1.035 413 E CA -0.303 55.900 56.400 -0.328 0.000 0.873 413 E CB 0.596 30.105 29.700 -0.319 0.000 1.029 413 E HN 0.495 nan 8.360 nan 0.000 0.419 414 N N 2.513 120.852 118.700 -0.602 0.000 2.455 414 N HA 0.204 4.955 4.740 0.018 0.000 0.280 414 N C -1.498 173.658 175.510 -0.589 0.000 1.055 414 N CA -0.094 52.661 53.050 -0.491 0.000 0.961 414 N CB 0.509 38.856 38.487 -0.233 0.000 1.121 414 N HN 0.295 nan 8.380 nan 0.000 0.476 415 Y N -0.058 120.189 120.300 -0.089 0.000 2.630 415 Y HA 0.362 4.923 4.550 0.018 0.000 0.337 415 Y C 0.739 176.596 175.900 -0.072 0.000 1.051 415 Y CA -1.187 56.849 58.100 -0.106 0.000 1.121 415 Y CB 0.769 39.155 38.460 -0.123 0.000 1.299 415 Y HN 0.230 nan 8.280 nan 0.000 0.498 416 K N 2.234 122.688 120.400 0.090 0.000 2.320 416 K HA 0.002 4.332 4.320 0.018 0.000 0.269 416 K C -0.297 176.318 176.600 0.025 0.000 1.182 416 K CA 0.170 56.473 56.287 0.027 0.000 1.190 416 K CB -0.100 32.402 32.500 0.003 0.000 0.850 416 K HN 0.855 nan 8.250 nan 0.000 0.467 417 S N 2.941 118.650 115.700 0.016 0.000 2.516 417 S HA -0.192 4.289 4.470 0.018 0.000 0.276 417 S C 1.496 176.099 174.600 0.006 0.000 1.339 417 S CA 0.551 58.758 58.200 0.013 0.000 1.013 417 S CB 0.118 63.320 63.200 0.004 0.000 0.820 417 S HN 0.788 nan 8.310 nan 0.000 0.512 418 Q N -0.255 119.548 119.800 0.005 0.000 2.541 418 Q HA 0.045 4.396 4.340 0.018 0.000 0.216 418 Q C 0.477 176.474 176.000 -0.005 0.000 0.968 418 Q CA 1.001 56.803 55.803 -0.002 0.000 0.989 418 Q CB -1.489 27.248 28.738 -0.001 0.000 0.991 418 Q HN 0.709 nan 8.270 nan 0.000 0.549 419 Q N -1.133 118.664 119.800 -0.005 0.000 2.459 419 Q HA -0.175 4.176 4.340 0.018 0.000 0.314 419 Q C 0.582 176.578 176.000 -0.005 0.000 1.432 419 Q CA 0.407 56.206 55.803 -0.007 0.000 0.823 419 Q CB -2.531 26.202 28.738 -0.010 0.000 1.124 419 Q HN 0.668 nan 8.270 nan 0.000 0.392 420 S N -1.158 114.540 115.700 -0.004 0.000 2.370 420 S HA 0.089 4.570 4.470 0.018 0.000 0.214 420 S C 0.898 175.495 174.600 -0.004 0.000 1.033 420 S CA 0.556 58.754 58.200 -0.003 0.000 0.941 420 S CB 0.409 63.608 63.200 -0.001 0.000 0.886 420 S HN 0.443 nan 8.310 nan 0.000 0.521 421 S N 0.255 115.953 115.700 -0.004 0.000 2.768 421 S HA 0.372 4.853 4.470 0.018 0.000 0.300 421 S C -0.537 174.059 174.600 -0.008 0.000 1.122 421 S CA -0.801 57.396 58.200 -0.006 0.000 0.995 421 S CB 0.492 63.689 63.200 -0.005 0.000 1.195 421 S HN 0.263 nan 8.310 nan 0.000 0.547 422 D N 0.846 121.240 120.400 -0.008 0.000 2.496 422 D HA 0.293 4.944 4.640 0.018 0.000 0.283 422 D C -2.474 173.819 176.300 -0.011 0.000 1.214 422 D CA -1.306 52.688 54.000 -0.010 0.000 1.089 422 D CB -0.435 40.359 40.800 -0.010 0.000 1.141 422 D HN 0.249 nan 8.370 nan 0.000 0.580 423 P HA -0.004 nan 4.420 nan 0.000 0.248 423 P C -0.608 176.684 177.300 -0.014 0.000 1.254 423 P CA 0.215 63.306 63.100 -0.014 0.000 1.252 423 P CB -0.392 31.299 31.700 -0.015 0.000 1.465 424 D N 5.080 125.472 120.400 -0.013 0.000 2.363 424 D HA 0.009 4.660 4.640 0.018 0.000 0.263 424 D C -1.207 175.086 176.300 -0.010 0.000 1.258 424 D CA -2.013 51.980 54.000 -0.010 0.000 0.907 424 D CB 0.614 41.409 40.800 -0.008 0.000 1.107 424 D HN 0.191 nan 8.370 nan 0.000 0.495 425 P HA -0.045 nan 4.420 nan 0.000 0.230 425 P C -0.107 177.190 177.300 -0.005 0.000 1.158 425 P CA 0.747 63.841 63.100 -0.009 0.000 0.769 425 P CB 0.181 31.875 31.700 -0.009 0.000 0.807 426 N N -0.900 117.800 118.700 -0.001 0.000 2.458 426 N HA 0.062 4.813 4.740 0.018 0.000 0.274 426 N C 0.352 175.869 175.510 0.011 0.000 1.242 426 N CA -0.168 52.887 53.050 0.009 0.000 0.904 426 N CB -0.106 38.388 38.487 0.012 0.000 1.206 426 N HN 0.103 nan 8.380 nan 0.000 0.510 427 c N 0.403 119.002 118.600 -0.002 0.000 2.551 427 c HA 0.179 4.760 4.570 0.018 0.000 0.284 427 c C 1.792 175.875 174.090 -0.011 0.000 1.329 427 c CA -0.127 56.195 56.329 -0.011 0.000 1.683 427 c CB -1.639 40.852 42.510 -0.032 0.000 1.730 427 c HN 0.226 nan 8.230 nan 0.000 0.591 428 V N 0.045 119.961 119.914 0.004 0.000 3.263 428 V HA 0.107 4.238 4.120 0.018 0.000 0.248 428 V C 1.689 177.792 176.094 0.015 0.000 1.145 428 V CA 1.502 63.802 62.300 -0.001 0.000 1.107 428 V CB -0.198 31.625 31.823 0.001 0.000 0.797 428 V HN 0.513 nan 8.190 nan 0.000 0.467 429 D N 0.092 120.531 120.400 0.065 0.000 2.398 429 D HA 0.094 4.745 4.640 0.018 0.000 0.210 429 D C 1.019 177.482 176.300 0.271 0.000 1.094 429 D CA -0.159 53.949 54.000 0.180 0.000 0.839 429 D CB 0.689 41.594 40.800 0.175 0.000 0.963 429 D HN 0.279 nan 8.370 nan 0.000 0.506 430 R N 2.476 123.057 120.500 0.136 0.000 2.347 430 R HA 0.194 4.545 4.340 0.018 0.000 0.304 430 R C -2.638 173.759 176.300 0.161 0.000 1.072 430 R CA -1.144 55.022 56.100 0.109 0.000 0.980 430 R CB 0.665 30.992 30.300 0.046 0.000 0.986 430 R HN -0.229 nan 8.270 nan 0.000 0.448 431 P HA -0.038 nan 4.420 nan 0.000 0.271 431 P C -0.544 176.828 177.300 0.119 0.000 1.218 431 P CA -0.477 62.771 63.100 0.247 0.000 0.780 431 P CB 0.719 32.532 31.700 0.187 0.000 0.901 432 V N 0.005 119.991 119.914 0.119 0.000 3.185 432 V HA 0.215 4.346 4.120 0.018 0.000 0.305 432 V C 0.622 176.757 176.094 0.069 0.000 1.090 432 V CA 0.232 62.583 62.300 0.085 0.000 1.107 432 V CB 0.250 32.143 31.823 0.116 0.000 1.061 432 V HN 0.554 nan 8.190 nan 0.000 0.480 433 E N 1.233 121.479 120.200 0.076 0.000 2.676 433 E HA 0.428 4.789 4.350 0.018 0.000 0.222 433 E C 0.795 177.424 176.600 0.049 0.000 0.968 433 E CA 0.308 56.736 56.400 0.047 0.000 1.090 433 E CB 0.919 30.644 29.700 0.041 0.000 1.066 433 E HN 1.447 nan 8.360 nan 0.000 0.496 434 G N 1.444 110.311 108.800 0.110 0.000 2.916 434 G HA2 -0.287 3.684 3.960 0.018 0.000 0.533 434 G HA3 -0.287 3.684 3.960 0.018 0.000 0.533 434 G C -0.489 174.507 174.900 0.161 0.000 1.516 434 G CA -0.028 45.144 45.100 0.120 0.000 0.944 434 G HN 0.198 nan 8.290 nan 0.000 0.555 435 Y N -2.275 117.991 120.300 -0.056 0.000 2.654 435 Y HA 0.850 5.412 4.550 0.019 0.000 0.327 435 Y C -0.117 175.672 175.900 -0.185 0.000 1.122 435 Y CA -2.379 55.620 58.100 -0.168 0.000 1.227 435 Y CB 0.788 39.072 38.460 -0.294 0.000 1.370 435 Y HN 0.541 nan 8.280 nan 0.000 0.528 436 L N 2.250 123.391 121.223 -0.137 0.000 2.265 436 L HA 0.679 5.030 4.340 0.018 0.000 0.289 436 L C -0.026 176.775 176.870 -0.116 0.000 1.033 436 L CA -1.054 53.634 54.840 -0.253 0.000 0.814 436 L CB 0.453 42.344 42.059 -0.279 0.000 1.203 436 L HN 0.906 nan 8.230 nan 0.000 0.423 437 A N 4.574 127.331 122.820 -0.104 0.000 2.328 437 A HA 0.719 5.050 4.320 0.018 0.000 0.284 437 A C -0.337 177.291 177.584 0.074 0.000 1.160 437 A CA -0.248 51.805 52.037 0.027 0.000 0.818 437 A CB 0.646 19.657 19.000 0.019 0.000 1.087 437 A HN 0.767 nan 8.150 nan 0.000 0.504 438 V N -1.345 118.636 119.914 0.112 0.000 3.188 438 V HA 0.940 5.071 4.120 0.018 0.000 0.305 438 V C -0.259 175.923 176.094 0.146 0.000 1.232 438 V CA -0.467 61.896 62.300 0.104 0.000 1.043 438 V CB 1.477 33.339 31.823 0.064 0.000 1.068 438 V HN 1.788 nan 8.190 nan 0.000 0.439 439 A N 2.034 124.931 122.820 0.128 0.000 2.287 439 A HA 0.883 5.214 4.320 0.018 0.000 0.317 439 A C -0.561 177.037 177.584 0.023 0.000 1.220 439 A CA -0.604 51.478 52.037 0.077 0.000 0.835 439 A CB 1.147 20.310 19.000 0.271 0.000 1.180 439 A HN 1.456 nan 8.150 nan 0.000 0.500 440 V N 2.519 122.407 119.914 -0.044 0.000 2.769 440 V HA 0.777 4.908 4.120 0.018 0.000 0.312 440 V C 0.116 176.255 176.094 0.074 0.000 1.058 440 V CA -0.446 61.900 62.300 0.077 0.000 0.952 440 V CB 1.465 33.378 31.823 0.151 0.000 1.019 440 V HN 1.130 nan 8.190 nan 0.000 0.445 441 V N 0.769 120.787 119.914 0.174 0.000 3.188 441 V HA 0.632 4.763 4.120 0.018 0.000 0.305 441 V C -0.654 175.546 176.094 0.176 0.000 1.232 441 V CA -1.449 60.927 62.300 0.127 0.000 1.043 441 V CB 2.018 33.877 31.823 0.060 0.000 1.068 441 V HN 0.761 nan 8.190 nan 0.000 0.439 442 R N 1.093 121.608 120.500 0.024 0.000 2.370 442 R HA 0.330 4.681 4.340 0.018 0.000 0.309 442 R C 1.531 177.738 176.300 -0.156 0.000 1.059 442 R CA -0.276 55.685 56.100 -0.232 0.000 0.981 442 R CB 0.538 30.725 30.300 -0.187 0.000 0.972 442 R HN 0.772 nan 8.270 nan 0.000 0.437 443 R N 1.728 122.102 120.500 -0.209 0.000 2.165 443 R HA -0.291 4.060 4.340 0.018 0.000 0.254 443 R C 1.850 178.103 176.300 -0.078 0.000 1.153 443 R CA 2.428 58.460 56.100 -0.112 0.000 0.971 443 R CB -0.279 29.935 30.300 -0.143 0.000 0.878 443 R HN 0.630 nan 8.270 nan 0.000 0.449 444 S N 0.333 115.967 115.700 -0.110 0.000 2.407 444 S HA -0.162 4.319 4.470 0.018 0.000 0.235 444 S C 0.822 175.393 174.600 -0.048 0.000 1.036 444 S CA 1.547 59.699 58.200 -0.080 0.000 1.013 444 S CB -0.227 62.906 63.200 -0.112 0.000 0.820 444 S HN 0.345 nan 8.310 nan 0.000 0.476 445 D N 1.158 121.534 120.400 -0.041 0.000 3.060 445 D HA 0.132 4.783 4.640 0.018 0.000 0.245 445 D C 1.502 177.800 176.300 -0.004 0.000 1.274 445 D CA 0.481 54.469 54.000 -0.019 0.000 0.864 445 D CB 0.225 41.015 40.800 -0.016 0.000 1.073 445 D HN 0.647 nan 8.370 nan 0.000 0.473 446 T N -2.031 112.519 114.554 -0.006 0.000 2.635 446 T HA -0.318 4.043 4.350 0.018 0.000 0.265 446 T C 1.987 176.694 174.700 0.011 0.000 1.058 446 T CA 2.048 64.149 62.100 0.001 0.000 1.162 446 T CB -0.493 68.372 68.868 -0.004 0.000 0.859 446 T HN 0.194 nan 8.240 nan 0.000 0.449 447 S N 1.387 117.093 115.700 0.010 0.000 2.453 447 S HA 0.193 4.674 4.470 0.018 0.000 0.231 447 S C 0.784 175.396 174.600 0.020 0.000 1.005 447 S CA -0.172 58.035 58.200 0.013 0.000 0.949 447 S CB -0.493 62.711 63.200 0.007 0.000 0.774 447 S HN 0.343 nan 8.310 nan 0.000 0.510 448 L N 3.575 124.812 121.223 0.025 0.000 2.360 448 L HA 0.530 4.881 4.340 0.018 0.000 0.276 448 L C 0.363 177.268 176.870 0.059 0.000 1.121 448 L CA 0.774 55.636 54.840 0.036 0.000 0.845 448 L CB 0.502 42.581 42.059 0.034 0.000 1.143 448 L HN 0.499 nan 8.230 nan 0.000 0.452 449 T N 1.819 116.415 114.554 0.070 0.000 2.787 449 T HA 0.184 4.545 4.350 0.018 0.000 0.297 449 T C 0.871 175.665 174.700 0.157 0.000 1.221 449 T CA -0.622 61.549 62.100 0.119 0.000 1.006 449 T CB 0.304 69.225 68.868 0.088 0.000 1.328 449 T HN 0.663 nan 8.240 nan 0.000 0.509 450 W N 1.701 123.037 121.300 0.060 0.000 2.301 450 W HA -0.256 4.415 4.660 0.017 0.000 0.325 450 W C 1.423 177.983 176.519 0.068 0.000 1.250 450 W CA 2.065 59.457 57.345 0.078 0.000 1.261 450 W CB -0.450 29.047 29.460 0.061 0.000 1.157 450 W HN 0.742 nan 8.180 nan 0.000 0.473 451 N N 0.237 118.902 118.700 -0.058 0.000 2.348 451 N HA -0.156 4.595 4.740 0.018 0.000 0.185 451 N C 1.319 176.722 175.510 -0.177 0.000 1.019 451 N CA 1.928 54.896 53.050 -0.136 0.000 0.880 451 N CB -0.501 37.991 38.487 0.009 0.000 0.965 451 N HN 0.178 nan 8.380 nan 0.000 0.437 452 S N -1.472 114.148 115.700 -0.133 0.000 2.941 452 S HA 0.230 4.711 4.470 0.018 0.000 0.251 452 S C 0.979 175.532 174.600 -0.079 0.000 1.029 452 S CA -0.572 57.566 58.200 -0.103 0.000 1.062 452 S CB 0.174 63.347 63.200 -0.044 0.000 0.977 452 S HN -0.058 nan 8.310 nan 0.000 0.552 453 V N 1.738 121.578 119.914 -0.125 0.000 2.591 453 V HA 0.128 4.258 4.120 0.018 0.000 0.249 453 V C 0.718 176.873 176.094 0.101 0.000 1.053 453 V CA 1.054 63.361 62.300 0.012 0.000 1.068 453 V CB -0.420 31.403 31.823 -0.001 0.000 0.689 453 V HN 0.532 nan 8.190 nan 0.000 0.462 454 K N 0.677 121.006 120.400 -0.119 0.000 2.472 454 K HA 0.318 4.649 4.320 0.018 0.000 0.280 454 K C 1.023 177.557 176.600 -0.110 0.000 1.028 454 K CA 0.832 56.976 56.287 -0.239 0.000 1.045 454 K CB -0.001 32.304 32.500 -0.324 0.000 0.902 454 K HN 0.453 nan 8.250 nan 0.000 0.478 455 G N 1.851 110.590 108.800 -0.102 0.000 2.143 455 G HA2 -0.277 3.694 3.960 0.018 0.000 0.249 455 G HA3 -0.277 3.694 3.960 0.018 0.000 0.249 455 G C 0.007 174.986 174.900 0.132 0.000 0.981 455 G CA 0.384 45.492 45.100 0.013 0.000 0.665 455 G HN 0.503 nan 8.290 nan 0.000 0.528 456 K N -0.210 120.349 120.400 0.266 0.000 2.531 456 K HA 0.732 5.063 4.320 0.018 0.000 0.265 456 K C 0.462 177.232 176.600 0.282 0.000 1.045 456 K CA -0.568 55.853 56.287 0.223 0.000 1.040 456 K CB 0.591 33.192 32.500 0.168 0.000 1.436 456 K HN 0.135 nan 8.250 nan 0.000 0.571 457 K N 0.801 121.292 120.400 0.152 0.000 2.234 457 K HA 0.307 4.638 4.320 0.018 0.000 0.277 457 K C -0.729 175.849 176.600 -0.036 0.000 1.038 457 K CA -0.559 55.789 56.287 0.103 0.000 0.888 457 K CB 1.516 34.052 32.500 0.059 0.000 1.091 457 K HN 0.611 nan 8.250 nan 0.000 0.467 458 S N 0.976 116.592 115.700 -0.140 0.000 2.651 458 S HA 0.515 4.995 4.470 0.018 0.000 0.291 458 S C -0.254 174.222 174.600 -0.207 0.000 1.141 458 S CA -0.773 57.206 58.200 -0.368 0.000 1.027 458 S CB 1.003 63.671 63.200 -0.886 0.000 1.043 458 S HN 0.622 nan 8.310 nan 0.000 0.530 459 c N 3.007 121.394 118.600 -0.356 0.000 2.397 459 c HA 0.627 5.208 4.570 0.018 0.000 0.325 459 c C -0.451 173.489 174.090 -0.250 0.000 1.201 459 c CA -0.611 55.593 56.329 -0.208 0.000 1.377 459 c CB -0.176 42.165 42.510 -0.282 0.000 2.038 459 c HN 0.916 nan 8.230 nan 0.000 0.457 460 H N 1.168 120.315 119.070 0.128 0.000 2.622 460 H HA 0.264 4.830 4.556 0.018 0.000 0.363 460 H C 1.032 176.412 175.328 0.086 0.000 1.151 460 H CA 0.052 56.229 56.048 0.215 0.000 1.184 460 H CB 2.111 32.059 29.762 0.310 0.000 1.643 460 H HN 0.719 nan 8.280 nan 0.000 0.531 461 T N 0.561 115.200 114.554 0.141 0.000 2.624 461 T HA -0.005 4.356 4.350 0.018 0.000 0.268 461 T C 0.843 175.448 174.700 -0.158 0.000 1.041 461 T CA 1.087 63.117 62.100 -0.118 0.000 1.159 461 T CB 0.063 68.787 68.868 -0.240 0.000 0.863 461 T HN 0.785 nan 8.240 nan 0.000 0.434 462 A N -1.015 121.817 122.820 0.020 0.000 2.517 462 A HA 0.535 4.866 4.320 0.018 0.000 0.296 462 A C -0.881 176.663 177.584 -0.067 0.000 0.983 462 A CA -0.437 51.623 52.037 0.038 0.000 0.634 462 A CB 0.684 19.770 19.000 0.143 0.000 1.341 462 A HN 0.530 nan 8.150 nan 0.000 0.438 463 V N 2.167 121.871 119.914 -0.351 0.000 2.529 463 V HA 0.399 4.530 4.120 0.018 0.000 0.292 463 V C 0.411 176.127 176.094 -0.630 0.000 1.028 463 V CA 2.107 63.798 62.300 -1.014 0.000 1.074 463 V CB 0.275 31.450 31.823 -1.080 0.000 0.958 463 V HN 1.044 nan 8.190 nan 0.000 0.481 464 D N 2.972 122.978 120.400 -0.656 0.000 2.954 464 D HA -0.125 4.526 4.640 0.018 0.000 0.200 464 D C 0.392 176.466 176.300 -0.378 0.000 1.022 464 D CA 0.752 54.544 54.000 -0.347 0.000 1.003 464 D CB -0.617 40.014 40.800 -0.282 0.000 1.073 464 D HN 0.687 nan 8.370 nan 0.000 0.438 465 R N 0.376 120.749 120.500 -0.211 0.000 2.486 465 R HA 0.510 4.861 4.340 0.018 0.000 0.286 465 R C 1.473 177.829 176.300 0.095 0.000 0.999 465 R CA -0.313 55.695 56.100 -0.154 0.000 0.993 465 R CB 0.793 31.041 30.300 -0.086 0.000 1.084 465 R HN -0.123 nan 8.270 nan 0.000 0.487 466 T N 1.711 116.372 114.554 0.179 0.000 2.545 466 T HA -0.251 4.110 4.350 0.018 0.000 0.261 466 T C 1.969 176.795 174.700 0.210 0.000 1.097 466 T CA 1.912 64.161 62.100 0.249 0.000 1.189 466 T CB -0.317 68.673 68.868 0.202 0.000 0.863 466 T HN 0.750 nan 8.240 nan 0.000 0.405 467 A N 1.554 124.529 122.820 0.259 0.000 1.873 467 A HA -0.019 4.312 4.320 0.018 0.000 0.218 467 A C 2.663 180.411 177.584 0.274 0.000 1.193 467 A CA 2.231 54.428 52.037 0.267 0.000 0.629 467 A CB -1.567 17.693 19.000 0.432 0.000 0.826 467 A HN 0.571 nan 8.150 nan 0.000 0.447 468 G N -3.279 105.697 108.800 0.293 0.000 2.448 468 G HA2 -0.116 3.855 3.960 0.018 0.000 0.219 468 G HA3 -0.116 3.855 3.960 0.018 0.000 0.219 468 G C 1.234 176.415 174.900 0.468 0.000 1.127 468 G CA 1.180 46.483 45.100 0.337 0.000 0.766 468 G HN 0.712 nan 8.290 nan 0.000 0.552 469 W N -0.818 120.517 121.300 0.059 0.000 5.371 469 W HA 0.032 4.701 4.660 0.016 0.000 0.169 469 W C 1.464 177.906 176.519 -0.128 0.000 1.184 469 W CA 0.238 57.557 57.345 -0.043 0.000 1.946 469 W CB -0.495 28.893 29.460 -0.120 0.000 0.602 469 W HN 0.075 nan 8.180 nan 0.000 1.086 470 N N 1.971 120.765 118.700 0.157 0.000 2.091 470 N HA -0.218 4.533 4.740 0.018 0.000 0.193 470 N C 1.602 177.048 175.510 -0.106 0.000 1.021 470 N CA 2.718 55.753 53.050 -0.025 0.000 0.862 470 N CB -0.799 37.695 38.487 0.012 0.000 1.018 470 N HN 0.286 nan 8.380 nan 0.000 0.429 471 I N 0.804 121.360 120.570 -0.024 0.000 2.206 471 I HA -0.118 4.063 4.170 0.018 0.000 0.239 471 I C -0.751 175.325 176.117 -0.068 0.000 1.078 471 I CA 0.775 62.067 61.300 -0.012 0.000 1.367 471 I CB -1.134 36.888 38.000 0.036 0.000 1.078 471 I HN 0.112 nan 8.210 nan 0.000 0.413 472 P HA -0.165 nan 4.420 nan 0.000 0.214 472 P C 1.721 178.951 177.300 -0.118 0.000 1.163 472 P CA 1.733 64.707 63.100 -0.212 0.000 0.883 472 P CB -0.119 31.055 31.700 -0.877 0.000 0.788 473 M N -0.660 118.736 119.600 -0.340 0.000 2.200 473 M HA 0.052 4.543 4.480 0.018 0.000 0.265 473 M C 2.377 178.604 176.300 -0.121 0.000 1.066 473 M CA 1.582 56.642 55.300 -0.401 0.000 1.127 473 M CB -2.370 29.433 32.600 -1.328 0.000 1.379 473 M HN -0.019 nan 8.290 nan 0.000 0.420 474 G N -0.227 108.491 108.800 -0.138 0.000 2.432 474 G HA2 -0.131 3.840 3.960 0.018 0.000 0.219 474 G HA3 -0.131 3.840 3.960 0.018 0.000 0.219 474 G C 1.724 176.746 174.900 0.203 0.000 1.135 474 G CA 0.462 45.595 45.100 0.055 0.000 0.767 474 G HN 0.394 nan 8.290 nan 0.000 0.550 475 L N -0.172 121.144 121.223 0.155 0.000 2.044 475 L HA 0.057 4.408 4.340 0.018 0.000 0.205 475 L C 2.911 179.911 176.870 0.217 0.000 1.075 475 L CA 0.537 55.486 54.840 0.181 0.000 0.747 475 L CB -0.359 41.809 42.059 0.182 0.000 0.903 475 L HN 0.169 nan 8.230 nan 0.000 0.435 476 L N -1.182 120.185 121.223 0.240 0.000 2.046 476 L HA -0.248 4.103 4.340 0.018 0.000 0.208 476 L C 2.629 179.541 176.870 0.069 0.000 1.077 476 L CA 1.326 56.220 54.840 0.091 0.000 0.747 476 L CB -0.665 41.403 42.059 0.014 0.000 0.896 476 L HN 0.218 nan 8.230 nan 0.000 0.432 477 F N 1.824 121.895 119.950 0.202 0.000 2.161 477 F HA -0.273 4.262 4.527 0.014 0.000 0.300 477 F C 2.116 177.983 175.800 0.110 0.000 1.089 477 F CA 1.963 60.130 58.000 0.278 0.000 1.282 477 F CB -0.454 38.785 39.000 0.399 0.000 1.010 477 F HN 0.119 nan 8.300 nan 0.000 0.485 478 N N -0.624 118.095 118.700 0.032 0.000 2.550 478 N HA -0.095 4.656 4.740 0.018 0.000 0.186 478 N C 1.470 176.906 175.510 -0.123 0.000 1.110 478 N CA 0.788 53.786 53.050 -0.087 0.000 0.912 478 N CB 0.041 38.560 38.487 0.054 0.000 0.968 478 N HN 0.559 nan 8.380 nan 0.000 0.448 479 Q N -1.478 118.248 119.800 -0.123 0.000 2.377 479 Q HA 0.028 4.379 4.340 0.018 0.000 0.193 479 Q C 2.075 177.970 176.000 -0.176 0.000 0.986 479 Q CA 1.338 57.069 55.803 -0.120 0.000 0.851 479 Q CB -0.172 28.507 28.738 -0.099 0.000 0.986 479 Q HN 0.483 nan 8.270 nan 0.000 0.559 480 T N -2.048 112.376 114.554 -0.216 0.000 2.821 480 T HA -0.015 4.346 4.350 0.018 0.000 0.267 480 T C 1.495 176.058 174.700 -0.228 0.000 1.046 480 T CA 1.182 63.150 62.100 -0.219 0.000 1.139 480 T CB -0.453 68.244 68.868 -0.284 0.000 0.871 480 T HN 0.594 nan 8.240 nan 0.000 0.454 481 G N 0.670 109.261 108.800 -0.349 0.000 2.147 481 G HA2 -0.225 3.746 3.960 0.018 0.000 0.244 481 G HA3 -0.225 3.746 3.960 0.018 0.000 0.244 481 G C 0.105 174.832 174.900 -0.289 0.000 1.005 481 G CA 0.496 45.263 45.100 -0.556 0.000 0.713 481 G HN 1.010 nan 8.290 nan 0.000 0.515 482 S N -1.801 113.874 115.700 -0.042 0.000 2.617 482 S HA 0.517 4.998 4.470 0.018 0.000 0.283 482 S C 1.328 176.076 174.600 0.248 0.000 1.189 482 S CA 0.086 58.363 58.200 0.129 0.000 1.036 482 S CB 1.245 64.525 63.200 0.134 0.000 1.014 482 S HN 0.611 nan 8.310 nan 0.000 0.522 483 c N 2.829 121.414 118.600 -0.026 0.000 2.906 483 c HA 0.391 4.972 4.570 0.018 0.000 0.274 483 c C 1.100 174.838 174.090 -0.587 0.000 1.257 483 c CA -0.335 55.716 56.329 -0.463 0.000 1.695 483 c CB -1.257 41.097 42.510 -0.260 0.000 1.958 483 c HN 0.749 nan 8.230 nan 0.000 0.619 484 K N 1.267 121.535 120.400 -0.220 0.000 2.333 484 K HA 0.176 4.507 4.320 0.018 0.000 0.241 484 K C 0.168 176.711 176.600 -0.094 0.000 1.193 484 K CA -0.323 55.898 56.287 -0.112 0.000 1.142 484 K CB -0.193 32.316 32.500 0.015 0.000 1.731 484 K HN 0.297 nan 8.250 nan 0.000 0.344 485 F N 0.867 120.650 119.950 -0.278 0.000 2.373 485 F HA -0.184 4.352 4.527 0.016 0.000 0.300 485 F C 1.820 177.462 175.800 -0.264 0.000 1.080 485 F CA 0.886 58.454 58.000 -0.720 0.000 1.417 485 F CB -0.241 38.435 39.000 -0.540 0.000 1.070 485 F HN 0.449 nan 8.300 nan 0.000 0.546 486 D N -0.329 120.136 120.400 0.110 0.000 2.325 486 D HA -0.064 4.586 4.640 0.018 0.000 0.225 486 D C 0.922 177.317 176.300 0.159 0.000 1.096 486 D CA 0.396 54.492 54.000 0.161 0.000 0.844 486 D CB -0.415 40.468 40.800 0.139 0.000 0.925 486 D HN 0.385 nan 8.370 nan 0.000 0.513 487 E N -1.215 119.092 120.200 0.178 0.000 2.676 487 E HA 0.056 4.417 4.350 0.018 0.000 0.222 487 E C 0.427 177.130 176.600 0.172 0.000 0.968 487 E CA -0.270 56.228 56.400 0.164 0.000 1.090 487 E CB 0.376 30.156 29.700 0.133 0.000 1.066 487 E HN 0.089 nan 8.360 nan 0.000 0.496 488 Y N -0.417 119.798 120.300 -0.140 0.000 2.243 488 Y HA 0.047 4.607 4.550 0.017 0.000 0.293 488 Y C 0.755 176.145 175.900 -0.850 0.000 1.124 488 Y CA 0.616 58.417 58.100 -0.498 0.000 1.159 488 Y CB 0.082 38.258 38.460 -0.472 0.000 1.008 488 Y HN -0.100 nan 8.280 nan 0.000 0.527 489 F N -1.012 119.080 119.950 0.237 0.000 2.538 489 F HA 0.286 4.824 4.527 0.018 0.000 0.325 489 F C 1.484 177.368 175.800 0.140 0.000 1.066 489 F CA -0.737 57.367 58.000 0.173 0.000 0.946 489 F CB 1.246 40.382 39.000 0.226 0.000 1.199 489 F HN -0.238 nan 8.300 nan 0.000 0.473 490 S N 0.865 116.736 115.700 0.284 0.000 2.343 490 S HA -0.061 4.420 4.470 0.018 0.000 0.219 490 S C 0.203 174.924 174.600 0.201 0.000 1.033 490 S CA 0.887 59.200 58.200 0.188 0.000 1.014 490 S CB -0.323 62.961 63.200 0.140 0.000 0.915 490 S HN 0.707 nan 8.310 nan 0.000 0.435 491 Q N -0.334 119.598 119.800 0.219 0.000 2.379 491 Q HA 0.773 5.124 4.340 0.018 0.000 0.278 491 Q C -1.336 174.789 176.000 0.208 0.000 1.068 491 Q CA -0.438 55.479 55.803 0.190 0.000 0.816 491 Q CB 2.663 31.483 28.738 0.136 0.000 1.387 491 Q HN 0.348 nan 8.270 nan 0.000 0.413 492 S N -0.153 115.672 115.700 0.208 0.000 2.806 492 S HA 0.711 5.192 4.470 0.018 0.000 0.306 492 S C -1.579 173.137 174.600 0.195 0.000 1.167 492 S CA -0.691 57.641 58.200 0.219 0.000 0.847 492 S CB 1.768 65.155 63.200 0.312 0.000 1.216 492 S HN 0.688 nan 8.310 nan 0.000 0.532 493 c N 1.997 120.733 118.600 0.228 0.000 2.919 493 c HA 0.782 5.362 4.570 0.018 0.000 0.337 493 c C -0.664 173.597 174.090 0.285 0.000 1.039 493 c CA -0.194 56.265 56.329 0.216 0.000 1.373 493 c CB -0.902 41.742 42.510 0.224 0.000 1.843 493 c HN 0.907 nan 8.230 nan 0.000 0.493 494 A N 7.172 130.119 122.820 0.212 0.000 2.893 494 A HA 0.660 4.991 4.320 0.018 0.000 0.333 494 A C -2.823 174.796 177.584 0.057 0.000 1.152 494 A CA -1.061 51.061 52.037 0.140 0.000 0.782 494 A CB 0.240 19.250 19.000 0.017 0.000 1.108 494 A HN 0.632 nan 8.150 nan 0.000 0.469 495 P HA 0.219 nan 4.420 nan 0.000 0.263 495 P C 1.147 178.473 177.300 0.044 0.000 1.175 495 P CA 2.305 65.479 63.100 0.124 0.000 0.761 495 P CB 0.665 32.543 31.700 0.297 0.000 0.794 496 G N 0.857 109.662 108.800 0.008 0.000 2.131 496 G HA2 -0.179 3.792 3.960 0.018 0.000 0.223 496 G HA3 -0.179 3.792 3.960 0.018 0.000 0.223 496 G C 0.336 175.185 174.900 -0.086 0.000 0.990 496 G CA -0.104 44.973 45.100 -0.038 0.000 0.671 496 G HN 0.560 nan 8.290 nan 0.000 0.521 497 S N -0.543 115.117 115.700 -0.066 0.000 2.767 497 S HA 0.535 5.016 4.470 0.018 0.000 0.300 497 S C -0.230 174.357 174.600 -0.021 0.000 1.123 497 S CA -0.515 57.644 58.200 -0.069 0.000 0.992 497 S CB 1.486 64.650 63.200 -0.059 0.000 1.138 497 S HN 0.342 nan 8.310 nan 0.000 0.550 498 D N 2.268 122.665 120.400 -0.004 0.000 2.382 498 D HA 0.080 4.731 4.640 0.018 0.000 0.259 498 D C -1.476 174.835 176.300 0.020 0.000 1.224 498 D CA -1.519 52.486 54.000 0.008 0.000 0.894 498 D CB 0.984 41.794 40.800 0.017 0.000 1.127 498 D HN 0.095 nan 8.370 nan 0.000 0.487 499 P HA -0.169 nan 4.420 nan 0.000 0.222 499 P C 1.012 178.328 177.300 0.027 0.000 1.142 499 P CA 1.084 64.196 63.100 0.019 0.000 0.788 499 P CB 0.107 31.812 31.700 0.009 0.000 0.767 500 R N 0.211 120.726 120.500 0.026 0.000 2.290 500 R HA 0.171 4.522 4.340 0.018 0.000 0.197 500 R C 1.614 177.938 176.300 0.040 0.000 0.913 500 R CA 0.746 56.864 56.100 0.030 0.000 1.040 500 R CB -1.242 29.072 30.300 0.022 0.000 0.992 500 R HN 0.509 nan 8.270 nan 0.000 0.500 501 S N -0.343 115.386 115.700 0.047 0.000 2.645 501 S HA 0.116 4.597 4.470 0.018 0.000 0.266 501 S C 0.608 175.255 174.600 0.079 0.000 1.258 501 S CA 0.029 58.267 58.200 0.063 0.000 0.990 501 S CB 1.071 64.312 63.200 0.069 0.000 0.967 501 S HN 0.473 nan 8.310 nan 0.000 0.556 502 N N 0.083 118.841 118.700 0.096 0.000 2.381 502 N HA 0.048 4.799 4.740 0.018 0.000 0.182 502 N C 1.218 176.812 175.510 0.141 0.000 1.025 502 N CA 0.702 53.820 53.050 0.114 0.000 0.888 502 N CB -0.538 38.027 38.487 0.130 0.000 0.965 502 N HN 0.512 nan 8.380 nan 0.000 0.438 503 L N -0.799 120.510 121.223 0.143 0.000 2.622 503 L HA -0.022 4.329 4.340 0.018 0.000 0.233 503 L C 0.909 177.856 176.870 0.128 0.000 1.156 503 L CA 0.287 55.223 54.840 0.160 0.000 0.866 503 L CB 0.041 42.197 42.059 0.162 0.000 0.980 503 L HN 0.368 nan 8.230 nan 0.000 0.448 504 c N -1.834 116.830 118.600 0.107 0.000 3.580 504 c HA 0.309 4.890 4.570 0.018 0.000 0.337 504 c C 2.727 176.878 174.090 0.101 0.000 1.412 504 c CA -0.093 56.292 56.329 0.094 0.000 1.797 504 c CB -0.010 42.538 42.510 0.063 0.000 2.470 504 c HN 0.567 nan 8.230 nan 0.000 0.691 505 A N 1.526 124.409 122.820 0.105 0.000 1.954 505 A HA -0.234 4.097 4.320 0.018 0.000 0.222 505 A C 1.671 179.318 177.584 0.105 0.000 1.199 505 A CA 2.109 54.205 52.037 0.098 0.000 0.657 505 A CB -0.594 18.470 19.000 0.106 0.000 0.823 505 A HN 0.670 nan 8.150 nan 0.000 0.463 506 L N -1.087 120.216 121.223 0.133 0.000 2.607 506 L HA 0.137 4.488 4.340 0.018 0.000 0.228 506 L C 0.360 177.373 176.870 0.237 0.000 1.123 506 L CA -0.758 54.181 54.840 0.165 0.000 0.890 506 L CB -0.431 41.713 42.059 0.141 0.000 1.103 506 L HN 0.255 nan 8.230 nan 0.000 0.468 507 c N 1.399 120.111 118.600 0.187 0.000 2.676 507 c HA 0.116 4.697 4.570 0.018 0.000 0.416 507 c C 1.918 176.015 174.090 0.012 0.000 1.299 507 c CA -0.453 55.968 56.329 0.153 0.000 2.048 507 c CB 0.224 42.798 42.510 0.106 0.000 2.713 507 c HN 0.549 nan 8.230 nan 0.000 0.624 508 I N 0.041 120.520 120.570 -0.152 0.000 4.154 508 I HA 0.471 4.651 4.170 0.018 0.000 0.334 508 I C 0.955 176.973 176.117 -0.165 0.000 1.371 508 I CA 0.558 61.720 61.300 -0.231 0.000 1.110 508 I CB -0.694 36.988 38.000 -0.530 0.000 1.085 508 I HN 0.896 nan 8.210 nan 0.000 0.398 509 G N 3.008 111.739 108.800 -0.114 0.000 2.692 509 G HA2 -0.309 3.662 3.960 0.018 0.000 0.248 509 G HA3 -0.309 3.662 3.960 0.018 0.000 0.248 509 G C -0.412 174.429 174.900 -0.098 0.000 1.340 509 G CA 0.211 45.265 45.100 -0.076 0.000 0.896 509 G HN 0.838 nan 8.290 nan 0.000 0.570 510 D N -0.549 119.812 120.400 -0.066 0.000 2.384 510 D HA 0.334 4.985 4.640 0.018 0.000 0.244 510 D C 1.228 177.496 176.300 -0.054 0.000 1.251 510 D CA 0.176 54.145 54.000 -0.051 0.000 0.961 510 D CB 0.244 41.024 40.800 -0.034 0.000 1.116 510 D HN 0.562 nan 8.370 nan 0.000 0.484 511 E N -1.063 119.117 120.200 -0.035 0.000 2.339 511 E HA -0.188 4.173 4.350 0.018 0.000 0.201 511 E C 0.715 177.301 176.600 -0.024 0.000 1.015 511 E CA 1.218 57.602 56.400 -0.025 0.000 0.841 511 E CB 0.094 29.791 29.700 -0.004 0.000 0.754 511 E HN 0.408 nan 8.360 nan 0.000 0.508 512 E N -1.725 118.460 120.200 -0.025 0.000 2.501 512 E HA 0.208 4.569 4.350 0.018 0.000 0.201 512 E C 1.065 177.650 176.600 -0.026 0.000 1.016 512 E CA 0.520 56.908 56.400 -0.021 0.000 0.920 512 E CB 0.396 30.087 29.700 -0.016 0.000 1.023 512 E HN 0.209 nan 8.360 nan 0.000 0.474 513 G N 1.838 110.614 108.800 -0.039 0.000 2.160 513 G HA2 -0.329 3.642 3.960 0.018 0.000 0.251 513 G HA3 -0.329 3.642 3.960 0.018 0.000 0.251 513 G C 0.104 174.985 174.900 -0.032 0.000 1.008 513 G CA 0.884 45.959 45.100 -0.040 0.000 0.724 513 G HN 0.347 nan 8.290 nan 0.000 0.514 514 E N -0.834 119.346 120.200 -0.032 0.000 2.316 514 E HA 0.656 5.017 4.350 0.018 0.000 0.258 514 E C 1.219 177.799 176.600 -0.033 0.000 0.952 514 E CA -0.408 55.975 56.400 -0.027 0.000 0.818 514 E CB 0.456 30.142 29.700 -0.023 0.000 1.260 514 E HN 0.024 nan 8.360 nan 0.000 0.416 515 N N 0.576 119.258 118.700 -0.030 0.000 2.863 515 N HA -0.218 4.533 4.740 0.018 0.000 0.245 515 N C -0.989 174.503 175.510 -0.031 0.000 1.001 515 N CA 0.994 54.023 53.050 -0.035 0.000 0.901 515 N CB -1.035 37.427 38.487 -0.041 0.000 1.124 515 N HN 0.473 nan 8.380 nan 0.000 0.582 516 K N 0.478 120.863 120.400 -0.025 0.000 2.466 516 K HA 0.057 4.388 4.320 0.018 0.000 0.278 516 K C 1.015 177.617 176.600 0.004 0.000 1.048 516 K CA 1.075 57.352 56.287 -0.015 0.000 1.088 516 K CB -0.007 32.488 32.500 -0.010 0.000 0.884 516 K HN 0.395 nan 8.250 nan 0.000 0.478 517 c N 2.677 121.293 118.600 0.026 0.000 4.465 517 c HA -0.168 4.413 4.570 0.018 0.000 0.274 517 c C 0.375 174.482 174.090 0.028 0.000 1.337 517 c CA 0.345 56.702 56.329 0.047 0.000 1.822 517 c CB -2.100 40.436 42.510 0.044 0.000 1.357 517 c HN 0.649 nan 8.230 nan 0.000 0.753 518 V N 2.722 122.638 119.914 0.002 0.000 2.732 518 V HA 0.437 4.568 4.120 0.018 0.000 0.297 518 V C -1.285 174.777 176.094 -0.055 0.000 1.060 518 V CA -0.490 61.786 62.300 -0.040 0.000 1.038 518 V CB 1.598 33.383 31.823 -0.063 0.000 1.003 518 V HN 0.352 nan 8.190 nan 0.000 0.481 519 P HA 0.200 nan 4.420 nan 0.000 0.220 519 P C -1.221 175.737 177.300 -0.569 0.000 1.778 519 P CA -0.012 63.020 63.100 -0.113 0.000 0.912 519 P CB -0.536 31.160 31.700 -0.006 0.000 1.861 520 N N -2.211 115.920 118.700 -0.949 0.000 2.823 520 N HA 0.082 4.833 4.740 0.018 0.000 0.251 520 N C 0.480 175.492 175.510 -0.831 0.000 1.392 520 N CA -0.787 51.649 53.050 -1.023 0.000 0.864 520 N CB -0.024 38.206 38.487 -0.429 0.000 1.481 520 N HN -0.219 nan 8.380 nan 0.000 0.508 521 S N -0.804 114.640 115.700 -0.428 0.000 2.571 521 S HA -0.122 4.359 4.470 0.018 0.000 0.245 521 S C 0.527 175.118 174.600 -0.015 0.000 0.976 521 S CA 0.547 58.730 58.200 -0.028 0.000 0.954 521 S CB -0.778 62.473 63.200 0.085 0.000 0.756 521 S HN 0.566 nan 8.310 nan 0.000 0.535 522 N N 1.581 120.233 118.700 -0.079 0.000 2.446 522 N HA 0.051 4.802 4.740 0.018 0.000 0.179 522 N C 0.356 175.847 175.510 -0.031 0.000 1.054 522 N CA 0.569 53.594 53.050 -0.042 0.000 0.905 522 N CB -0.176 38.276 38.487 -0.058 0.000 0.973 522 N HN 0.695 nan 8.380 nan 0.000 0.448 523 E N 1.079 121.266 120.200 -0.023 0.000 2.152 523 E HA 0.157 4.518 4.350 0.018 0.000 0.285 523 E C 0.755 177.390 176.600 0.058 0.000 1.043 523 E CA -0.178 56.229 56.400 0.013 0.000 0.839 523 E CB 0.545 30.281 29.700 0.060 0.000 1.069 523 E HN -0.036 nan 8.360 nan 0.000 0.399 524 R N 3.198 123.670 120.500 -0.047 0.000 2.170 524 R HA -0.165 4.186 4.340 0.018 0.000 0.242 524 R C 0.427 176.758 176.300 0.051 0.000 1.145 524 R CA 1.227 57.280 56.100 -0.079 0.000 0.984 524 R CB -0.120 30.030 30.300 -0.250 0.000 0.869 524 R HN 0.605 nan 8.270 nan 0.000 0.455 525 Y N -1.562 118.724 120.300 -0.024 0.000 2.468 525 Y HA 0.079 4.640 4.550 0.018 0.000 0.268 525 Y C 0.145 176.070 175.900 0.042 0.000 1.177 525 Y CA -1.347 56.732 58.100 -0.034 0.000 1.265 525 Y CB -0.761 37.679 38.460 -0.033 0.000 1.103 525 Y HN 0.001 nan 8.280 nan 0.000 0.522 526 Y N 0.728 121.101 120.300 0.120 0.000 2.326 526 Y HA 0.473 5.033 4.550 0.018 0.000 0.333 526 Y C 1.086 177.027 175.900 0.069 0.000 1.240 526 Y CA 0.485 58.634 58.100 0.082 0.000 1.365 526 Y CB 0.468 38.960 38.460 0.053 0.000 1.289 526 Y HN 0.352 nan 8.280 nan 0.000 0.548 527 G N 3.196 111.432 108.800 -0.941 0.000 2.697 527 G HA2 -0.372 3.599 3.960 0.018 0.000 0.240 527 G HA3 -0.372 3.599 3.960 0.018 0.000 0.240 527 G C -0.052 174.681 174.900 -0.278 0.000 1.346 527 G CA 0.249 44.886 45.100 -0.771 0.000 0.887 527 G HN 0.799 nan 8.290 nan 0.000 0.569 528 Y N 0.393 120.644 120.300 -0.080 0.000 2.030 528 Y HA -0.164 4.397 4.550 0.018 0.000 0.274 528 Y C 3.532 179.452 175.900 0.033 0.000 1.153 528 Y CA 2.764 60.853 58.100 -0.019 0.000 1.115 528 Y CB -1.268 37.173 38.460 -0.033 0.000 0.969 528 Y HN 0.596 nan 8.280 nan 0.000 0.488 529 T N -0.594 114.127 114.554 0.278 0.000 2.746 529 T HA -0.144 4.217 4.350 0.018 0.000 0.267 529 T C 2.197 176.984 174.700 0.145 0.000 1.039 529 T CA 1.393 63.653 62.100 0.266 0.000 1.142 529 T CB -0.962 68.082 68.868 0.294 0.000 0.866 529 T HN 0.579 nan 8.240 nan 0.000 0.444 530 G N 1.119 109.967 108.800 0.080 0.000 2.404 530 G HA2 -0.019 3.952 3.960 0.018 0.000 0.215 530 G HA3 -0.019 3.952 3.960 0.018 0.000 0.215 530 G C 1.860 176.728 174.900 -0.054 0.000 1.174 530 G CA 0.867 45.990 45.100 0.037 0.000 0.780 530 G HN 0.563 nan 8.290 nan 0.000 0.537 531 A N 0.421 123.227 122.820 -0.023 0.000 1.883 531 A HA -0.005 4.326 4.320 0.018 0.000 0.217 531 A C 2.208 179.718 177.584 -0.124 0.000 1.186 531 A CA 1.744 53.739 52.037 -0.071 0.000 0.624 531 A CB -0.666 18.341 19.000 0.012 0.000 0.822 531 A HN 0.367 nan 8.150 nan 0.000 0.444 532 F N 0.413 120.268 119.950 -0.157 0.000 2.075 532 F HA -0.168 4.369 4.527 0.018 0.000 0.297 532 F C 2.415 178.068 175.800 -0.244 0.000 1.113 532 F CA 2.092 59.989 58.000 -0.171 0.000 1.218 532 F CB -0.376 38.574 39.000 -0.084 0.000 0.984 532 F HN 0.202 nan 8.300 nan 0.000 0.472 533 R N -0.293 119.947 120.500 -0.434 0.000 2.117 533 R HA -0.276 4.075 4.340 0.018 0.000 0.243 533 R C 2.571 178.473 176.300 -0.663 0.000 1.143 533 R CA 1.737 57.359 56.100 -0.797 0.000 0.968 533 R CB -1.239 28.424 30.300 -1.061 0.000 0.863 533 R HN 0.580 nan 8.270 nan 0.000 0.444 534 c N 0.372 118.431 118.600 -0.901 0.000 2.413 534 c HA -0.134 4.447 4.570 0.018 0.000 0.276 534 c C 2.567 176.297 174.090 -0.600 0.000 1.236 534 c CA 1.023 56.630 56.329 -1.202 0.000 1.735 534 c CB -1.092 40.785 42.510 -1.055 0.000 2.031 534 c HN 0.636 nan 8.230 nan 0.000 0.474 535 L N 2.059 122.987 121.223 -0.492 0.000 2.007 535 L HA 0.169 4.520 4.340 0.018 0.000 0.205 535 L C 2.718 179.446 176.870 -0.236 0.000 1.073 535 L CA 2.594 57.230 54.840 -0.340 0.000 0.744 535 L CB -1.160 40.677 42.059 -0.370 0.000 0.898 535 L HN 0.336 nan 8.230 nan 0.000 0.435 536 A N -0.953 121.637 122.820 -0.384 0.000 2.076 536 A HA -0.200 4.131 4.320 0.018 0.000 0.220 536 A C 1.858 179.446 177.584 0.007 0.000 1.160 536 A CA 1.838 53.814 52.037 -0.101 0.000 0.653 536 A CB -0.644 18.252 19.000 -0.175 0.000 0.801 536 A HN 0.699 nan 8.150 nan 0.000 0.455 537 E N -0.063 120.094 120.200 -0.071 0.000 2.465 537 E HA 0.048 4.409 4.350 0.018 0.000 0.195 537 E C -0.511 176.087 176.600 -0.003 0.000 1.028 537 E CA -0.183 56.224 56.400 0.012 0.000 0.899 537 E CB -0.012 29.727 29.700 0.066 0.000 1.032 537 E HN 0.594 nan 8.360 nan 0.000 0.468 538 N N 0.180 118.856 118.700 -0.040 0.000 2.708 538 N HA -0.263 4.488 4.740 0.018 0.000 0.249 538 N C 0.613 176.105 175.510 -0.029 0.000 1.097 538 N CA 0.810 53.842 53.050 -0.031 0.000 0.710 538 N CB -1.376 37.111 38.487 -0.001 0.000 1.032 538 N HN 0.341 nan 8.380 nan 0.000 0.551 539 A N -0.261 122.517 122.820 -0.071 0.000 1.850 539 A HA 0.377 4.708 4.320 0.018 0.000 0.212 539 A C 1.399 178.951 177.584 -0.054 0.000 1.208 539 A CA 1.616 53.633 52.037 -0.035 0.000 0.609 539 A CB -0.427 18.553 19.000 -0.034 0.000 0.860 539 A HN 0.477 nan 8.150 nan 0.000 0.448 540 G N -1.935 106.789 108.800 -0.128 0.000 2.557 540 G HA2 0.449 4.419 3.960 0.018 0.000 0.302 540 G HA3 0.449 4.419 3.960 0.018 0.000 0.302 540 G C -0.401 174.436 174.900 -0.105 0.000 1.311 540 G CA 0.132 45.162 45.100 -0.116 0.000 1.030 540 G HN 0.130 nan 8.290 nan 0.000 0.509 541 D N -1.862 118.477 120.400 -0.103 0.000 2.469 541 D HA 0.131 4.782 4.640 0.018 0.000 0.240 541 D C 0.359 176.589 176.300 -0.117 0.000 1.087 541 D CA 0.350 54.307 54.000 -0.072 0.000 0.876 541 D CB 1.494 42.284 40.800 -0.016 0.000 1.160 541 D HN 0.155 nan 8.370 nan 0.000 0.497 542 V N 0.008 119.783 119.914 -0.231 0.000 3.040 542 V HA 0.805 4.936 4.120 0.018 0.000 0.312 542 V C -1.753 173.979 176.094 -0.603 0.000 1.115 542 V CA -0.716 61.355 62.300 -0.381 0.000 0.998 542 V CB 2.166 33.719 31.823 -0.450 0.000 1.042 542 V HN 0.068 nan 8.190 nan 0.000 0.433 543 A N 4.038 126.454 122.820 -0.673 0.000 2.398 543 A HA 0.842 5.173 4.320 0.018 0.000 0.301 543 A C -1.523 175.666 177.584 -0.659 0.000 1.041 543 A CA -0.385 51.315 52.037 -0.562 0.000 0.711 543 A CB 1.211 20.071 19.000 -0.234 0.000 1.240 543 A HN 0.716 nan 8.150 nan 0.000 0.420 544 F N 2.719 122.595 119.950 -0.123 0.000 2.313 544 F HA 0.512 5.051 4.527 0.020 0.000 0.369 544 F C 0.744 176.590 175.800 0.075 0.000 1.109 544 F CA -0.211 57.775 58.000 -0.023 0.000 1.132 544 F CB 1.286 40.246 39.000 -0.066 0.000 1.291 544 F HN 0.592 nan 8.300 nan 0.000 0.496 545 V N 0.170 120.216 119.914 0.220 0.000 3.247 545 V HA 0.672 4.803 4.120 0.018 0.000 0.310 545 V C -0.948 175.256 176.094 0.183 0.000 1.409 545 V CA -1.277 61.187 62.300 0.273 0.000 1.013 545 V CB 1.973 33.922 31.823 0.210 0.000 1.118 545 V HN 0.477 nan 8.190 nan 0.000 0.480 546 K N -0.210 120.197 120.400 0.010 0.000 2.258 546 K HA 0.517 4.848 4.320 0.018 0.000 0.236 546 K C 0.270 176.777 176.600 -0.155 0.000 1.008 546 K CA 0.151 56.400 56.287 -0.063 0.000 0.869 546 K CB 1.606 34.010 32.500 -0.159 0.000 1.171 546 K HN 0.700 nan 8.250 nan 0.000 0.447 547 D N 0.845 121.161 120.400 -0.140 0.000 2.097 547 D HA -0.163 4.488 4.640 0.018 0.000 0.197 547 D C 1.770 177.936 176.300 -0.224 0.000 0.984 547 D CA 0.873 54.782 54.000 -0.152 0.000 0.826 547 D CB -0.842 39.894 40.800 -0.107 0.000 0.973 547 D HN 0.234 nan 8.370 nan 0.000 0.460 548 V N 1.198 120.959 119.914 -0.255 0.000 2.527 548 V HA -0.268 3.863 4.120 0.018 0.000 0.255 548 V C 2.430 178.330 176.094 -0.322 0.000 1.081 548 V CA 2.247 64.381 62.300 -0.276 0.000 1.092 548 V CB -0.967 30.663 31.823 -0.322 0.000 0.673 548 V HN 0.360 nan 8.190 nan 0.000 0.470 549 T N -0.616 113.708 114.554 -0.383 0.000 2.788 549 T HA -0.150 4.211 4.350 0.018 0.000 0.268 549 T C 1.852 176.195 174.700 -0.594 0.000 1.044 549 T CA 1.595 63.440 62.100 -0.425 0.000 1.139 549 T CB -0.149 68.497 68.868 -0.369 0.000 0.867 549 T HN 0.375 nan 8.240 nan 0.000 0.454 550 V N 1.347 120.885 119.914 -0.627 0.000 2.346 550 V HA -0.067 4.064 4.120 0.018 0.000 0.244 550 V C 2.396 178.221 176.094 -0.448 0.000 1.037 550 V CA 1.182 62.986 62.300 -0.826 0.000 1.029 550 V CB -0.803 30.646 31.823 -0.624 0.000 0.663 550 V HN 0.361 nan 8.190 nan 0.000 0.454 551 L N 0.016 121.067 121.223 -0.286 0.000 1.951 551 L HA -0.321 4.030 4.340 0.018 0.000 0.222 551 L C 2.623 179.389 176.870 -0.173 0.000 1.078 551 L CA 2.216 56.949 54.840 -0.179 0.000 0.778 551 L CB -1.157 40.814 42.059 -0.148 0.000 0.893 551 L HN 0.282 nan 8.230 nan 0.000 0.436 552 Q N -0.217 119.469 119.800 -0.190 0.000 2.325 552 Q HA -0.185 4.166 4.340 0.018 0.000 0.211 552 Q C 1.003 176.915 176.000 -0.145 0.000 0.988 552 Q CA 1.240 56.953 55.803 -0.150 0.000 0.887 552 Q CB -0.352 28.300 28.738 -0.144 0.000 0.915 552 Q HN 0.552 nan 8.270 nan 0.000 0.440 553 N N 0.381 118.959 118.700 -0.203 0.000 2.235 553 N HA 0.044 4.795 4.740 0.018 0.000 0.231 553 N C -0.415 175.037 175.510 -0.097 0.000 1.177 553 N CA 0.319 53.294 53.050 -0.125 0.000 0.874 553 N CB 1.169 39.677 38.487 0.035 0.000 1.097 553 N HN 0.210 nan 8.380 nan 0.000 0.518 554 T N -2.507 111.990 114.554 -0.093 0.000 2.901 554 T HA 0.305 4.666 4.350 0.018 0.000 0.293 554 T C -0.889 173.794 174.700 -0.028 0.000 1.084 554 T CA -0.572 61.518 62.100 -0.016 0.000 1.008 554 T CB 2.292 71.203 68.868 0.072 0.000 1.170 554 T HN 0.005 nan 8.240 nan 0.000 0.509 555 D N 0.188 120.586 120.400 -0.003 0.000 2.760 555 D HA -0.123 4.528 4.640 0.018 0.000 0.244 555 D C 1.077 177.357 176.300 -0.033 0.000 1.123 555 D CA 1.253 55.248 54.000 -0.009 0.000 0.719 555 D CB -1.816 38.982 40.800 -0.003 0.000 1.045 555 D HN 1.814 nan 8.370 nan 0.000 0.426 556 G N 0.550 109.321 108.800 -0.049 0.000 2.341 556 G HA2 -0.410 3.561 3.960 0.018 0.000 0.292 556 G HA3 -0.410 3.561 3.960 0.018 0.000 0.292 556 G C 0.880 175.742 174.900 -0.062 0.000 1.021 556 G CA 0.644 45.708 45.100 -0.060 0.000 0.905 556 G HN 0.573 nan 8.290 nan 0.000 0.508 557 N N -0.484 118.171 118.700 -0.075 0.000 2.405 557 N HA -0.019 4.732 4.740 0.018 0.000 0.175 557 N C 0.360 175.818 175.510 -0.086 0.000 1.051 557 N CA 0.355 53.362 53.050 -0.072 0.000 0.899 557 N CB 0.197 38.638 38.487 -0.076 0.000 1.000 557 N HN 0.456 nan 8.380 nan 0.000 0.451 558 N N 1.028 119.654 118.700 -0.124 0.000 2.410 558 N HA 0.066 4.817 4.740 0.018 0.000 0.287 558 N C -0.522 174.868 175.510 -0.200 0.000 1.044 558 N CA -0.454 52.496 53.050 -0.166 0.000 0.881 558 N CB 0.752 39.089 38.487 -0.249 0.000 1.405 558 N HN -0.014 nan 8.380 nan 0.000 0.490 559 N N 1.691 120.306 118.700 -0.141 0.000 2.370 559 N HA 0.012 4.763 4.740 0.018 0.000 0.198 559 N C -0.571 174.850 175.510 -0.148 0.000 1.156 559 N CA 0.107 53.085 53.050 -0.121 0.000 0.839 559 N CB -0.045 38.403 38.487 -0.064 0.000 0.989 559 N HN 0.569 nan 8.380 nan 0.000 0.468 560 E N -0.405 119.644 120.200 -0.251 0.000 2.373 560 E HA 0.378 4.739 4.350 0.018 0.000 0.263 560 E C 0.659 177.089 176.600 -0.284 0.000 1.073 560 E CA -0.102 56.172 56.400 -0.209 0.000 0.894 560 E CB 0.858 30.478 29.700 -0.132 0.000 1.008 560 E HN 0.249 nan 8.360 nan 0.000 0.420 561 A N 4.013 126.780 122.820 -0.088 0.000 1.972 561 A HA -0.157 4.174 4.320 0.018 0.000 0.219 561 A C 1.828 179.408 177.584 -0.007 0.000 1.169 561 A CA 1.358 53.376 52.037 -0.032 0.000 0.635 561 A CB -0.866 18.159 19.000 0.042 0.000 0.810 561 A HN 0.973 nan 8.150 nan 0.000 0.446 562 W N -0.532 120.802 121.300 0.057 0.000 2.333 562 W HA -0.101 4.570 4.660 0.018 0.000 0.316 562 W C 1.792 178.353 176.519 0.070 0.000 1.215 562 W CA 1.456 58.840 57.345 0.065 0.000 1.278 562 W CB -1.092 28.416 29.460 0.079 0.000 1.154 562 W HN 0.363 nan 8.180 nan 0.000 0.486 563 A N 1.710 123.913 122.820 -1.029 0.000 2.123 563 A HA -0.058 4.273 4.320 0.018 0.000 0.214 563 A C 2.034 179.389 177.584 -0.382 0.000 1.152 563 A CA 1.258 52.730 52.037 -0.942 0.000 0.728 563 A CB -0.494 17.570 19.000 -1.559 0.000 0.814 563 A HN 0.401 nan 8.150 nan 0.000 0.464 564 K N 0.846 121.088 120.400 -0.263 0.000 2.030 564 K HA -0.247 4.084 4.320 0.018 0.000 0.222 564 K C 0.975 177.538 176.600 -0.061 0.000 1.056 564 K CA 2.023 58.230 56.287 -0.132 0.000 0.957 564 K CB -0.563 31.888 32.500 -0.082 0.000 0.727 564 K HN 0.418 nan 8.250 nan 0.000 0.452 565 D N 0.796 121.184 120.400 -0.021 0.000 2.347 565 D HA 0.007 4.657 4.640 0.018 0.000 0.215 565 D C 0.478 176.810 176.300 0.054 0.000 0.976 565 D CA 0.408 54.418 54.000 0.017 0.000 0.884 565 D CB -0.057 40.757 40.800 0.024 0.000 0.915 565 D HN 0.169 nan 8.370 nan 0.000 0.526 566 L N 1.852 123.125 121.223 0.083 0.000 2.499 566 L HA 0.028 4.379 4.340 0.018 0.000 0.273 566 L C 0.556 177.524 176.870 0.163 0.000 1.195 566 L CA 0.373 55.329 54.840 0.194 0.000 0.882 566 L CB 0.255 42.462 42.059 0.246 0.000 1.133 566 L HN -0.338 nan 8.230 nan 0.000 0.483 567 K N 3.742 124.269 120.400 0.212 0.000 2.292 567 K HA 0.210 4.541 4.320 0.018 0.000 0.257 567 K C 0.489 177.242 176.600 0.255 0.000 0.940 567 K CA -0.902 55.483 56.287 0.163 0.000 0.811 567 K CB 2.308 34.863 32.500 0.092 0.000 1.120 567 K HN 0.337 nan 8.250 nan 0.000 0.428 568 L N 3.136 124.472 121.223 0.188 0.000 2.054 568 L HA -0.305 4.046 4.340 0.018 0.000 0.220 568 L C 1.822 178.825 176.870 0.221 0.000 1.081 568 L CA 2.489 57.451 54.840 0.203 0.000 0.780 568 L CB -0.485 41.624 42.059 0.083 0.000 0.893 568 L HN 0.873 nan 8.230 nan 0.000 0.438 569 A N -1.741 121.151 122.820 0.120 0.000 2.216 569 A HA -0.159 4.172 4.320 0.018 0.000 0.214 569 A C 1.655 179.234 177.584 -0.008 0.000 1.160 569 A CA 1.552 53.623 52.037 0.056 0.000 0.725 569 A CB -0.630 18.388 19.000 0.030 0.000 0.784 569 A HN 0.545 nan 8.150 nan 0.000 0.472 570 D N -1.605 118.760 120.400 -0.059 0.000 2.348 570 D HA 0.205 4.856 4.640 0.018 0.000 0.211 570 D C -0.302 175.529 176.300 -0.782 0.000 0.998 570 D CA 0.500 54.277 54.000 -0.371 0.000 0.873 570 D CB 0.055 40.612 40.800 -0.406 0.000 0.925 570 D HN 0.408 nan 8.370 nan 0.000 0.524 571 F N 0.086 120.082 119.950 0.076 0.000 2.538 571 F HA 0.700 5.238 4.527 0.018 0.000 0.325 571 F C 0.388 176.227 175.800 0.064 0.000 1.066 571 F CA -1.155 56.902 58.000 0.094 0.000 0.946 571 F CB 1.661 40.773 39.000 0.187 0.000 1.199 571 F HN -0.276 nan 8.300 nan 0.000 0.473 572 A N 1.641 124.595 122.820 0.223 0.000 2.583 572 A HA 0.886 5.217 4.320 0.018 0.000 0.289 572 A C -1.693 175.975 177.584 0.139 0.000 1.151 572 A CA -0.779 51.340 52.037 0.137 0.000 0.695 572 A CB 1.384 20.428 19.000 0.074 0.000 1.290 572 A HN 0.683 nan 8.150 nan 0.000 0.419 573 L N -0.049 121.234 121.223 0.100 0.000 2.334 573 L HA 0.597 4.948 4.340 0.018 0.000 0.272 573 L C -1.225 175.697 176.870 0.088 0.000 1.020 573 L CA -0.955 53.938 54.840 0.088 0.000 0.812 573 L CB 1.279 43.377 42.059 0.065 0.000 1.264 573 L HN 0.466 nan 8.230 nan 0.000 0.439 574 L N 1.583 122.869 121.223 0.106 0.000 2.305 574 L HA 0.430 4.781 4.340 0.018 0.000 0.284 574 L C -0.427 176.486 176.870 0.071 0.000 1.013 574 L CA -0.157 54.772 54.840 0.148 0.000 0.819 574 L CB 1.310 43.541 42.059 0.286 0.000 1.227 574 L HN 0.642 nan 8.230 nan 0.000 0.417 575 c N 2.762 121.392 118.600 0.051 0.000 2.365 575 c HA 0.394 4.975 4.570 0.018 0.000 0.349 575 c C 2.103 176.170 174.090 -0.038 0.000 1.191 575 c CA -1.087 55.214 56.329 -0.048 0.000 2.114 575 c CB 0.934 43.417 42.510 -0.044 0.000 2.367 575 c HN 0.798 nan 8.230 nan 0.000 0.530 576 L N 1.409 122.509 121.223 -0.205 0.000 2.265 576 L HA -0.113 4.238 4.340 0.018 0.000 0.215 576 L C 1.755 178.625 176.870 0.001 0.000 1.117 576 L CA 1.575 56.252 54.840 -0.272 0.000 0.782 576 L CB -0.424 41.432 42.059 -0.339 0.000 0.914 576 L HN 0.866 nan 8.230 nan 0.000 0.441 577 D N -1.001 119.399 120.400 -0.001 0.000 2.336 577 D HA 0.086 4.737 4.640 0.018 0.000 0.228 577 D C 1.389 177.729 176.300 0.067 0.000 1.120 577 D CA 0.546 54.564 54.000 0.030 0.000 0.839 577 D CB 0.137 40.935 40.800 -0.004 0.000 0.932 577 D HN 0.195 nan 8.370 nan 0.000 0.509 578 G N -0.160 108.714 108.800 0.123 0.000 2.212 578 G HA2 -0.319 3.652 3.960 0.018 0.000 0.266 578 G HA3 -0.319 3.652 3.960 0.018 0.000 0.266 578 G C 0.517 175.474 174.900 0.095 0.000 0.978 578 G CA 0.443 45.622 45.100 0.132 0.000 0.632 578 G HN 0.394 nan 8.290 nan 0.000 0.537 579 K N -0.045 120.396 120.400 0.068 0.000 2.155 579 K HA 0.655 4.986 4.320 0.018 0.000 0.237 579 K C 0.655 177.291 176.600 0.060 0.000 1.040 579 K CA -0.326 55.991 56.287 0.050 0.000 0.912 579 K CB 0.602 33.118 32.500 0.026 0.000 1.137 579 K HN 0.346 nan 8.250 nan 0.000 0.498 580 R N 0.572 121.100 120.500 0.047 0.000 2.574 580 R HA 0.370 4.721 4.340 0.018 0.000 0.288 580 R C -0.462 175.860 176.300 0.036 0.000 1.004 580 R CA -0.548 55.582 56.100 0.049 0.000 0.895 580 R CB 2.156 32.486 30.300 0.049 0.000 1.191 580 R HN 0.420 nan 8.270 nan 0.000 0.444 581 K N 1.811 122.234 120.400 0.038 0.000 2.409 581 K HA 0.570 4.901 4.320 0.018 0.000 0.252 581 K C -2.677 173.947 176.600 0.041 0.000 1.036 581 K CA -2.027 54.279 56.287 0.031 0.000 0.871 581 K CB 2.513 35.028 32.500 0.024 0.000 1.374 581 K HN 0.293 nan 8.250 nan 0.000 0.459 582 P HA 0.118 nan 4.420 nan 0.000 0.287 582 P C 0.649 177.973 177.300 0.041 0.000 1.270 582 P CA -0.483 62.644 63.100 0.044 0.000 0.844 582 P CB 1.096 32.816 31.700 0.032 0.000 1.068 583 V N 1.201 121.145 119.914 0.050 0.000 2.764 583 V HA -0.240 3.891 4.120 0.018 0.000 0.261 583 V C 2.220 178.318 176.094 0.005 0.000 1.108 583 V CA 2.794 65.112 62.300 0.029 0.000 1.129 583 V CB -2.148 29.688 31.823 0.023 0.000 0.701 583 V HN 0.719 nan 8.190 nan 0.000 0.495 584 T N -2.179 112.381 114.554 0.011 0.000 3.043 584 T HA -0.035 4.326 4.350 0.018 0.000 0.263 584 T C 1.331 176.033 174.700 0.005 0.000 1.094 584 T CA 0.727 62.826 62.100 -0.000 0.000 1.127 584 T CB -0.175 68.693 68.868 0.001 0.000 0.905 584 T HN 0.579 nan 8.240 nan 0.000 0.490 585 E N 0.983 121.192 120.200 0.014 0.000 2.437 585 E HA 0.429 4.790 4.350 0.018 0.000 0.189 585 E C 2.024 178.645 176.600 0.034 0.000 1.054 585 E CA 0.019 56.431 56.400 0.019 0.000 0.874 585 E CB -0.071 29.640 29.700 0.017 0.000 1.011 585 E HN 0.602 nan 8.360 nan 0.000 0.474 586 A N 1.385 124.226 122.820 0.035 0.000 2.042 586 A HA -0.266 4.065 4.320 0.018 0.000 0.222 586 A C 2.103 179.773 177.584 0.144 0.000 1.167 586 A CA 1.534 53.611 52.037 0.066 0.000 0.649 586 A CB -0.333 18.677 19.000 0.017 0.000 0.809 586 A HN 0.074 nan 8.150 nan 0.000 0.457 587 R N 0.688 121.240 120.500 0.088 0.000 2.241 587 R HA -0.062 4.289 4.340 0.018 0.000 0.224 587 R C 1.563 177.978 176.300 0.191 0.000 1.101 587 R CA 1.753 57.922 56.100 0.115 0.000 0.995 587 R CB -0.393 29.930 30.300 0.039 0.000 0.870 587 R HN 0.575 nan 8.270 nan 0.000 0.463 588 S N -3.005 112.760 115.700 0.108 0.000 2.846 588 S HA 0.166 4.647 4.470 0.018 0.000 0.249 588 S C -0.094 174.470 174.600 -0.060 0.000 1.028 588 S CA -0.260 57.943 58.200 0.005 0.000 1.043 588 S CB -0.208 62.990 63.200 -0.003 0.000 0.990 588 S HN 0.209 nan 8.310 nan 0.000 0.564 589 c N 3.829 122.416 118.600 -0.022 0.000 3.392 589 c HA 0.514 5.095 4.570 0.018 0.000 0.217 589 c C -0.751 173.343 174.090 0.006 0.000 1.222 589 c CA -0.326 55.973 56.329 -0.051 0.000 1.200 589 c CB -1.044 41.461 42.510 -0.009 0.000 1.818 589 c HN 0.773 nan 8.230 nan 0.000 0.586 590 H N 1.175 120.204 119.070 -0.069 0.000 2.851 590 H HA 0.398 4.965 4.556 0.018 0.000 0.372 590 H C 0.117 175.366 175.328 -0.131 0.000 1.158 590 H CA -0.849 55.150 56.048 -0.082 0.000 1.159 590 H CB 0.803 30.524 29.762 -0.068 0.000 1.757 590 H HN 0.255 nan 8.280 nan 0.000 0.546 591 L N 0.945 122.150 121.223 -0.030 0.000 1.989 591 L HA 0.055 4.405 4.340 0.018 0.000 0.211 591 L C 1.095 177.958 176.870 -0.013 0.000 1.071 591 L CA 2.037 56.793 54.840 -0.141 0.000 0.749 591 L CB -0.394 41.592 42.059 -0.121 0.000 0.890 591 L HN 0.852 nan 8.230 nan 0.000 0.431 592 A N -1.840 121.057 122.820 0.129 0.000 2.490 592 A HA 0.497 4.828 4.320 0.018 0.000 0.292 592 A C -1.156 176.410 177.584 -0.030 0.000 1.047 592 A CA -0.741 51.373 52.037 0.128 0.000 0.632 592 A CB 0.742 19.756 19.000 0.023 0.000 1.323 592 A HN -0.059 nan 8.150 nan 0.000 0.448 593 M N 1.276 120.815 119.600 -0.102 0.000 2.120 593 M HA 0.494 4.985 4.480 0.018 0.000 0.354 593 M C 0.408 176.508 176.300 -0.333 0.000 1.287 593 M CA 0.003 55.157 55.300 -0.244 0.000 1.103 593 M CB 0.453 32.948 32.600 -0.175 0.000 1.623 593 M HN 0.961 nan 8.290 nan 0.000 0.471 594 A N 6.542 129.015 122.820 -0.579 0.000 2.303 594 A HA 0.819 5.150 4.320 0.018 0.000 0.317 594 A C -2.480 174.750 177.584 -0.591 0.000 1.149 594 A CA -1.540 50.033 52.037 -0.773 0.000 0.822 594 A CB 0.290 18.553 19.000 -1.229 0.000 1.131 594 A HN 0.441 nan 8.150 nan 0.000 0.493 595 P HA 0.190 nan 4.420 nan 0.000 0.275 595 P C -0.739 176.741 177.300 0.300 0.000 1.227 595 P CA -0.403 62.592 63.100 -0.174 0.000 0.781 595 P CB 0.396 31.870 31.700 -0.377 0.000 0.906 596 N N 0.480 119.417 118.700 0.394 0.000 2.395 596 N HA -0.010 4.741 4.740 0.018 0.000 0.246 596 N C 0.201 176.119 175.510 0.679 0.000 1.246 596 N CA 0.293 53.713 53.050 0.616 0.000 0.879 596 N CB -0.345 38.377 38.487 0.393 0.000 1.098 596 N HN 0.478 nan 8.380 nan 0.000 0.444 597 H N -0.040 119.304 119.070 0.456 0.000 2.897 597 H HA 0.314 4.881 4.556 0.018 0.000 0.347 597 H C -0.176 175.319 175.328 0.278 0.000 1.068 597 H CA -0.376 55.889 56.048 0.362 0.000 1.426 597 H CB 0.568 30.524 29.762 0.322 0.000 1.410 597 H HN 0.586 nan 8.280 nan 0.000 0.597 598 A N 2.680 125.679 122.820 0.298 0.000 2.469 598 A HA 0.452 4.783 4.320 0.018 0.000 0.299 598 A C -0.555 177.089 177.584 0.099 0.000 1.098 598 A CA -0.732 51.358 52.037 0.088 0.000 0.737 598 A CB 1.529 20.342 19.000 -0.311 0.000 1.312 598 A HN 0.533 nan 8.150 nan 0.000 0.414 599 V N 1.191 121.162 119.914 0.094 0.000 2.439 599 V HA 0.765 4.896 4.120 0.018 0.000 0.282 599 V C -0.076 176.023 176.094 0.008 0.000 1.039 599 V CA -0.179 62.190 62.300 0.116 0.000 0.913 599 V CB 0.742 32.744 31.823 0.298 0.000 0.983 599 V HN 1.596 nan 8.190 nan 0.000 0.460 600 V N 3.126 123.013 119.914 -0.045 0.000 2.815 600 V HA 0.989 5.119 4.120 0.018 0.000 0.314 600 V C -0.135 175.904 176.094 -0.092 0.000 1.064 600 V CA 0.115 62.379 62.300 -0.060 0.000 0.952 600 V CB 1.408 33.203 31.823 -0.047 0.000 1.020 600 V HN 1.270 nan 8.190 nan 0.000 0.439 601 S N 1.564 117.226 115.700 -0.062 0.000 2.752 601 S HA 0.617 5.098 4.470 0.018 0.000 0.284 601 S C -0.685 173.892 174.600 -0.039 0.000 1.189 601 S CA -1.041 57.122 58.200 -0.062 0.000 0.835 601 S CB 1.902 65.082 63.200 -0.033 0.000 1.192 601 S HN 0.938 nan 8.310 nan 0.000 0.506 602 R N 0.564 121.046 120.500 -0.030 0.000 2.560 602 R HA 0.348 4.699 4.340 0.018 0.000 0.270 602 R C 0.952 177.249 176.300 -0.005 0.000 1.074 602 R CA -0.359 55.731 56.100 -0.018 0.000 1.140 602 R CB 0.211 30.504 30.300 -0.012 0.000 1.073 602 R HN 0.621 nan 8.270 nan 0.000 0.527 603 M N 1.352 120.953 119.600 0.001 0.000 2.358 603 M HA -0.179 4.312 4.480 0.018 0.000 0.264 603 M C 1.081 177.388 176.300 0.012 0.000 1.064 603 M CA 1.927 57.233 55.300 0.009 0.000 1.093 603 M CB -0.171 32.437 32.600 0.012 0.000 1.401 603 M HN 0.670 nan 8.290 nan 0.000 0.440 604 D N -1.139 119.267 120.400 0.010 0.000 2.269 604 D HA -0.166 4.485 4.640 0.018 0.000 0.208 604 D C 1.786 178.093 176.300 0.012 0.000 0.963 604 D CA 0.878 54.884 54.000 0.011 0.000 0.864 604 D CB -0.037 40.769 40.800 0.011 0.000 0.936 604 D HN 0.054 nan 8.370 nan 0.000 0.505 605 K N 0.165 120.572 120.400 0.012 0.000 2.361 605 K HA 0.185 4.515 4.320 0.018 0.000 0.194 605 K C 1.522 178.139 176.600 0.028 0.000 1.032 605 K CA 0.058 56.355 56.287 0.018 0.000 1.048 605 K CB 0.044 32.551 32.500 0.012 0.000 0.842 605 K HN 0.073 nan 8.250 nan 0.000 0.526 606 V N 1.595 121.524 119.914 0.026 0.000 2.220 606 V HA -0.299 3.832 4.120 0.018 0.000 0.250 606 V C 1.962 178.082 176.094 0.043 0.000 1.056 606 V CA 2.129 64.450 62.300 0.034 0.000 1.016 606 V CB -0.373 31.466 31.823 0.027 0.000 0.639 606 V HN 0.362 nan 8.190 nan 0.000 0.446 607 E N -0.017 120.205 120.200 0.036 0.000 2.077 607 E HA -0.240 4.121 4.350 0.018 0.000 0.193 607 E C 2.307 178.933 176.600 0.044 0.000 0.989 607 E CA 1.379 57.801 56.400 0.037 0.000 0.800 607 E CB -0.427 29.289 29.700 0.027 0.000 0.746 607 E HN 0.454 nan 8.360 nan 0.000 0.452 608 R N 1.115 121.639 120.500 0.041 0.000 2.115 608 R HA -0.069 4.281 4.340 0.018 0.000 0.226 608 R C 2.229 178.573 176.300 0.072 0.000 1.100 608 R CA 0.596 56.722 56.100 0.044 0.000 0.980 608 R CB -0.674 29.644 30.300 0.030 0.000 0.875 608 R HN 0.188 nan 8.270 nan 0.000 0.445 609 L N 0.669 121.945 121.223 0.089 0.000 2.056 609 L HA -0.022 4.329 4.340 0.018 0.000 0.207 609 L C 1.897 178.863 176.870 0.160 0.000 1.078 609 L CA 1.932 56.858 54.840 0.143 0.000 0.749 609 L CB -0.624 41.514 42.059 0.132 0.000 0.901 609 L HN 0.099 nan 8.230 nan 0.000 0.433 610 K N -0.536 119.935 120.400 0.118 0.000 2.020 610 K HA -0.268 4.063 4.320 0.018 0.000 0.212 610 K C 2.163 178.830 176.600 0.113 0.000 1.050 610 K CA 2.264 58.616 56.287 0.109 0.000 0.929 610 K CB -0.233 32.311 32.500 0.073 0.000 0.714 610 K HN 0.737 nan 8.250 nan 0.000 0.443 611 Q N -0.207 119.649 119.800 0.094 0.000 2.030 611 Q HA -0.165 4.186 4.340 0.018 0.000 0.204 611 Q C 1.968 178.040 176.000 0.121 0.000 0.986 611 Q CA 1.888 57.743 55.803 0.088 0.000 0.843 611 Q CB -0.587 28.184 28.738 0.055 0.000 0.904 611 Q HN 0.068 nan 8.270 nan 0.000 0.420 612 V N 1.471 121.458 119.914 0.123 0.000 2.295 612 V HA -0.240 3.891 4.120 0.018 0.000 0.246 612 V C 2.410 178.655 176.094 0.252 0.000 1.049 612 V CA 1.611 64.003 62.300 0.153 0.000 1.024 612 V CB -0.529 31.374 31.823 0.133 0.000 0.648 612 V HN 0.368 nan 8.190 nan 0.000 0.447 613 L N -1.191 120.189 121.223 0.262 0.000 2.093 613 L HA -0.161 4.190 4.340 0.018 0.000 0.208 613 L C 2.387 179.370 176.870 0.188 0.000 1.085 613 L CA 1.088 56.099 54.840 0.286 0.000 0.755 613 L CB -0.363 41.896 42.059 0.334 0.000 0.904 613 L HN 0.320 nan 8.230 nan 0.000 0.435 614 L N -0.747 120.570 121.223 0.156 0.000 2.027 614 L HA -0.230 4.121 4.340 0.018 0.000 0.206 614 L C 2.633 179.550 176.870 0.078 0.000 1.074 614 L CA 1.721 56.619 54.840 0.097 0.000 0.745 614 L CB -1.109 41.002 42.059 0.086 0.000 0.898 614 L HN 0.317 nan 8.230 nan 0.000 0.433 615 H N -0.334 118.755 119.070 0.032 0.000 2.253 615 H HA -0.182 4.384 4.556 0.018 0.000 0.296 615 H C 1.787 177.100 175.328 -0.024 0.000 1.074 615 H CA 1.823 57.873 56.048 0.003 0.000 1.263 615 H CB 0.009 29.782 29.762 0.019 0.000 1.363 615 H HN 0.293 nan 8.280 nan 0.000 0.489 616 Q N 0.511 120.439 119.800 0.213 0.000 2.449 616 Q HA -0.170 4.181 4.340 0.018 0.000 0.214 616 Q C 2.263 178.222 176.000 -0.069 0.000 0.986 616 Q CA 1.697 57.600 55.803 0.166 0.000 0.893 616 Q CB -0.199 28.819 28.738 0.467 0.000 0.940 616 Q HN 0.833 nan 8.270 nan 0.000 0.477 617 Q N -1.868 117.865 119.800 -0.112 0.000 2.339 617 Q HA 0.216 4.567 4.340 0.018 0.000 0.205 617 Q C 1.917 177.780 176.000 -0.229 0.000 0.925 617 Q CA 0.696 56.378 55.803 -0.203 0.000 0.898 617 Q CB -0.189 28.484 28.738 -0.108 0.000 1.013 617 Q HN 0.177 nan 8.270 nan 0.000 0.504 618 A N 1.996 124.681 122.820 -0.224 0.000 1.978 618 A HA -0.184 4.146 4.320 0.018 0.000 0.220 618 A C 2.015 179.403 177.584 -0.326 0.000 1.170 618 A CA 1.674 53.567 52.037 -0.240 0.000 0.636 618 A CB -0.231 18.627 19.000 -0.237 0.000 0.810 618 A HN 0.282 nan 8.150 nan 0.000 0.448 619 K N -2.130 117.972 120.400 -0.496 0.000 2.214 619 K HA 0.155 4.486 4.320 0.018 0.000 0.201 619 K C 0.140 176.316 176.600 -0.707 0.000 1.049 619 K CA 0.858 56.718 56.287 -0.712 0.000 0.978 619 K CB 0.143 31.923 32.500 -1.201 0.000 0.842 619 K HN 0.516 nan 8.250 nan 0.000 0.474 620 F N 0.434 120.261 119.950 -0.204 0.000 2.735 620 F HA 0.301 4.839 4.527 0.018 0.000 0.304 620 F C 1.085 176.573 175.800 -0.520 0.000 1.119 620 F CA -0.901 56.921 58.000 -0.297 0.000 1.280 620 F CB 0.000 38.879 39.000 -0.202 0.000 0.994 620 F HN -0.085 nan 8.300 nan 0.000 0.520 621 G N 0.453 109.056 108.800 -0.328 0.000 2.479 621 G HA2 -0.007 3.964 3.960 0.018 0.000 0.275 621 G HA3 -0.007 3.964 3.960 0.018 0.000 0.275 621 G C 1.309 176.124 174.900 -0.141 0.000 1.421 621 G CA -0.235 44.669 45.100 -0.327 0.000 1.059 621 G HN 0.127 nan 8.290 nan 0.000 0.535 622 R N -0.141 120.381 120.500 0.036 0.000 2.092 622 R HA -0.027 4.324 4.340 0.018 0.000 0.231 622 R C 0.332 176.622 176.300 -0.016 0.000 1.119 622 R CA 1.147 57.272 56.100 0.042 0.000 0.970 622 R CB -0.625 29.712 30.300 0.061 0.000 0.864 622 R HN 0.525 nan 8.270 nan 0.000 0.440 623 N N -0.421 118.261 118.700 -0.031 0.000 2.733 623 N HA 0.240 4.991 4.740 0.018 0.000 0.271 623 N C -1.365 174.108 175.510 -0.062 0.000 1.720 623 N CA -0.102 52.924 53.050 -0.040 0.000 0.803 623 N CB 1.310 39.780 38.487 -0.028 0.000 1.208 623 N HN 0.145 nan 8.380 nan 0.000 0.498 624 G N -0.287 108.467 108.800 -0.077 0.000 2.327 624 G HA2 0.090 4.061 3.960 0.018 0.000 0.302 624 G HA3 0.090 4.061 3.960 0.018 0.000 0.302 624 G C 0.988 175.829 174.900 -0.099 0.000 1.113 624 G CA -0.407 44.626 45.100 -0.112 0.000 0.921 624 G HN 0.347 nan 8.290 nan 0.000 0.425 625 S N 1.436 117.054 115.700 -0.137 0.000 2.557 625 S HA -0.169 4.312 4.470 0.018 0.000 0.267 625 S C 0.914 175.454 174.600 -0.099 0.000 0.972 625 S CA 2.042 60.166 58.200 -0.127 0.000 0.963 625 S CB -0.147 62.947 63.200 -0.175 0.000 0.739 625 S HN 0.606 nan 8.310 nan 0.000 0.534 626 D N -1.621 118.755 120.400 -0.041 0.000 2.489 626 D HA 0.213 4.864 4.640 0.018 0.000 0.343 626 D C -0.841 175.561 176.300 0.170 0.000 1.295 626 D CA -0.303 53.755 54.000 0.095 0.000 0.908 626 D CB 0.508 41.451 40.800 0.238 0.000 1.382 626 D HN 0.393 nan 8.370 nan 0.000 0.468 627 c N 2.816 121.461 118.600 0.075 0.000 2.255 627 c HA 0.648 5.229 4.570 0.018 0.000 0.326 627 c C -2.161 171.922 174.090 -0.011 0.000 1.258 627 c CA -1.448 54.893 56.329 0.020 0.000 1.676 627 c CB 0.550 43.028 42.510 -0.054 0.000 2.314 627 c HN 0.117 nan 8.230 nan 0.000 0.509 628 P HA 0.263 nan 4.420 nan 0.000 0.307 628 P C 0.090 177.400 177.300 0.015 0.000 1.796 628 P CA 0.115 63.210 63.100 -0.008 0.000 1.349 628 P CB 0.493 32.175 31.700 -0.030 0.000 1.807 629 D N 0.454 120.876 120.400 0.036 0.000 2.194 629 D HA -0.021 4.630 4.640 0.018 0.000 0.204 629 D C 1.461 177.798 176.300 0.062 0.000 0.964 629 D CA 1.161 55.185 54.000 0.040 0.000 0.846 629 D CB 0.663 41.486 40.800 0.037 0.000 0.962 629 D HN 0.224 nan 8.370 nan 0.000 0.490 630 K N -1.550 118.912 120.400 0.103 0.000 2.290 630 K HA 0.163 4.494 4.320 0.018 0.000 0.225 630 K C -0.165 176.532 176.600 0.161 0.000 1.060 630 K CA -0.043 56.327 56.287 0.139 0.000 0.903 630 K CB 1.035 33.657 32.500 0.203 0.000 1.158 630 K HN -0.061 nan 8.250 nan 0.000 0.460 631 F N 0.083 120.013 119.950 -0.032 0.000 2.615 631 F HA 0.346 4.883 4.527 0.018 0.000 0.312 631 F C -1.844 173.887 175.800 -0.114 0.000 1.119 631 F CA -1.123 56.740 58.000 -0.228 0.000 0.979 631 F CB 1.417 40.074 39.000 -0.572 0.000 1.266 631 F HN -0.026 nan 8.300 nan 0.000 0.444 632 c N 7.311 125.496 118.600 -0.692 0.000 2.239 632 c HA 0.301 4.882 4.570 0.018 0.000 0.323 632 c C 1.355 174.700 174.090 -1.241 0.000 1.205 632 c CA -0.645 55.282 56.329 -0.670 0.000 1.584 632 c CB 0.018 42.306 42.510 -0.369 0.000 2.201 632 c HN 0.940 nan 8.230 nan 0.000 0.475 633 L N 3.200 123.692 121.223 -1.218 0.000 2.131 633 L HA 0.062 4.413 4.340 0.018 0.000 0.210 633 L C 1.170 177.555 176.870 -0.809 0.000 1.092 633 L CA 2.025 56.054 54.840 -1.351 0.000 0.759 633 L CB -0.526 40.670 42.059 -1.440 0.000 0.903 633 L HN 0.606 nan 8.230 nan 0.000 0.435 634 F N -0.009 119.680 119.950 -0.435 0.000 2.949 634 F HA 0.472 5.010 4.527 0.018 0.000 0.291 634 F C 0.334 176.035 175.800 -0.165 0.000 1.214 634 F CA -0.448 57.406 58.000 -0.244 0.000 1.381 634 F CB -0.760 38.103 39.000 -0.228 0.000 1.066 634 F HN 0.120 nan 8.300 nan 0.000 0.520 635 Q N -0.798 118.958 119.800 -0.073 0.000 2.320 635 Q HA 0.496 4.847 4.340 0.018 0.000 0.272 635 Q C 0.148 176.125 176.000 -0.038 0.000 1.023 635 Q CA -0.260 55.516 55.803 -0.045 0.000 0.855 635 Q CB 2.240 30.927 28.738 -0.085 0.000 1.367 635 Q HN 0.160 nan 8.270 nan 0.000 0.406 636 S N 0.831 116.548 115.700 0.030 0.000 2.648 636 S HA 0.101 4.582 4.470 0.018 0.000 0.270 636 S C -0.263 174.378 174.600 0.068 0.000 1.034 636 S CA -0.201 58.038 58.200 0.064 0.000 1.376 636 S CB 0.321 63.585 63.200 0.107 0.000 1.227 636 S HN 0.723 nan 8.310 nan 0.000 0.676 637 E N 2.350 122.581 120.200 0.052 0.000 5.482 637 E HA -0.298 4.062 4.350 0.018 0.000 0.369 637 E C 0.538 177.184 176.600 0.077 0.000 1.136 637 E CA 1.191 57.620 56.400 0.047 0.000 1.145 637 E CB -0.918 28.799 29.700 0.028 0.000 0.781 637 E HN 1.284 nan 8.360 nan 0.000 0.338 638 T N 0.680 115.284 114.554 0.082 0.000 7.578 638 T HA -0.310 4.051 4.350 0.018 0.000 0.299 638 T C 0.576 175.378 174.700 0.170 0.000 2.097 638 T CA 2.057 64.231 62.100 0.122 0.000 3.248 638 T CB -1.420 67.532 68.868 0.139 0.000 2.014 638 T HN 0.648 nan 8.240 nan 0.000 1.198 639 K N 0.771 121.264 120.400 0.155 0.000 2.391 639 K HA 0.254 4.585 4.320 0.018 0.000 0.197 639 K C 0.430 177.149 176.600 0.197 0.000 1.087 639 K CA 0.086 56.482 56.287 0.182 0.000 1.012 639 K CB 0.278 32.877 32.500 0.165 0.000 0.925 639 K HN 0.403 nan 8.250 nan 0.000 0.547 640 N N 1.636 120.448 118.700 0.187 0.000 2.714 640 N HA -0.180 4.571 4.740 0.018 0.000 0.253 640 N C -1.201 174.449 175.510 0.232 0.000 1.024 640 N CA 0.566 53.751 53.050 0.224 0.000 0.726 640 N CB -0.988 37.657 38.487 0.263 0.000 0.908 640 N HN 0.055 nan 8.380 nan 0.000 0.542 641 L N 0.926 122.272 121.223 0.204 0.000 2.276 641 L HA 0.326 4.677 4.340 0.018 0.000 0.286 641 L C 1.751 178.730 176.870 0.181 0.000 1.061 641 L CA 0.091 55.039 54.840 0.180 0.000 0.807 641 L CB 0.476 42.630 42.059 0.158 0.000 1.177 641 L HN 0.387 nan 8.230 nan 0.000 0.429 642 L N 1.688 122.987 121.223 0.126 0.000 5.036 642 L HA -0.352 3.999 4.340 0.018 0.000 0.395 642 L C -0.266 176.417 176.870 -0.311 0.000 0.792 642 L CA 1.501 56.316 54.840 -0.041 0.000 2.205 642 L CB -1.443 40.548 42.059 -0.114 0.000 1.065 642 L HN 0.394 nan 8.230 nan 0.000 0.632 643 F N -1.062 119.048 119.950 0.266 0.000 2.613 643 F HA 0.421 4.958 4.527 0.018 0.000 0.314 643 F C 0.518 176.438 175.800 0.201 0.000 1.075 643 F CA -0.881 57.273 58.000 0.257 0.000 0.945 643 F CB 1.133 40.301 39.000 0.280 0.000 1.310 643 F HN -0.199 nan 8.300 nan 0.000 0.467 644 N N 1.324 120.255 118.700 0.384 0.000 2.483 644 N HA 0.026 4.777 4.740 0.018 0.000 0.264 644 N C 0.109 175.715 175.510 0.161 0.000 1.197 644 N CA -0.094 53.095 53.050 0.232 0.000 0.927 644 N CB 0.513 39.111 38.487 0.184 0.000 1.065 644 N HN 0.533 nan 8.380 nan 0.000 0.461 645 D N 0.681 121.157 120.400 0.126 0.000 2.265 645 D HA -0.174 4.477 4.640 0.018 0.000 0.208 645 D C 1.068 177.391 176.300 0.039 0.000 0.977 645 D CA 1.054 55.107 54.000 0.090 0.000 0.871 645 D CB -0.120 40.719 40.800 0.065 0.000 0.925 645 D HN 0.609 nan 8.370 nan 0.000 0.485 646 N N 0.182 118.891 118.700 0.015 0.000 2.276 646 N HA -0.064 4.687 4.740 0.018 0.000 0.212 646 N C -0.590 174.959 175.510 0.065 0.000 1.127 646 N CA 0.023 53.080 53.050 0.011 0.000 0.834 646 N CB -0.160 38.285 38.487 -0.070 0.000 1.014 646 N HN -0.214 nan 8.380 nan 0.000 0.491 647 T N 1.147 115.642 114.554 -0.099 0.000 2.784 647 T HA -0.008 4.352 4.350 0.018 0.000 0.291 647 T C 1.160 175.606 174.700 -0.424 0.000 0.942 647 T CA -0.151 61.685 62.100 -0.439 0.000 1.161 647 T CB 1.744 70.007 68.868 -1.008 0.000 0.885 647 T HN 0.347 nan 8.240 nan 0.000 0.534 648 E N 1.822 121.852 120.200 -0.284 0.000 2.028 648 E HA -0.070 4.291 4.350 0.018 0.000 0.191 648 E C 0.948 177.430 176.600 -0.196 0.000 0.988 648 E CA 0.999 57.303 56.400 -0.161 0.000 0.799 648 E CB 0.226 29.863 29.700 -0.105 0.000 0.755 648 E HN 0.903 nan 8.360 nan 0.000 0.447 649 c N -2.434 115.979 118.600 -0.311 0.000 3.260 649 c HA 0.525 5.105 4.570 0.018 0.000 0.366 649 c C -1.288 172.633 174.090 -0.281 0.000 1.537 649 c CA -1.372 54.829 56.329 -0.214 0.000 1.160 649 c CB 0.058 42.536 42.510 -0.053 0.000 1.760 649 c HN 0.183 nan 8.230 nan 0.000 0.432 650 L N 2.301 123.457 121.223 -0.113 0.000 2.264 650 L HA 0.661 5.012 4.340 0.018 0.000 0.287 650 L C 0.718 177.563 176.870 -0.043 0.000 1.039 650 L CA 0.084 54.883 54.840 -0.068 0.000 0.829 650 L CB 0.967 43.053 42.059 0.045 0.000 1.211 650 L HN 1.010 nan 8.230 nan 0.000 0.427 651 A N 4.891 127.675 122.820 -0.061 0.000 2.256 651 A HA 0.697 5.028 4.320 0.018 0.000 0.318 651 A C -0.018 177.522 177.584 -0.073 0.000 1.103 651 A CA -0.706 51.298 52.037 -0.055 0.000 0.860 651 A CB 0.790 19.760 19.000 -0.050 0.000 1.182 651 A HN 0.681 nan 8.150 nan 0.000 0.501 652 R N 0.063 120.477 120.500 -0.142 0.000 2.539 652 R HA 0.215 4.566 4.340 0.018 0.000 0.275 652 R C 0.164 176.260 176.300 -0.341 0.000 1.077 652 R CA -0.371 55.592 56.100 -0.229 0.000 1.097 652 R CB 0.385 30.534 30.300 -0.250 0.000 1.018 652 R HN 0.651 nan 8.270 nan 0.000 0.483 653 L N 2.548 123.649 121.223 -0.202 0.000 2.627 653 L HA -0.006 4.345 4.340 0.018 0.000 0.233 653 L C 0.049 176.924 176.870 0.009 0.000 1.144 653 L CA 0.123 54.923 54.840 -0.067 0.000 0.892 653 L CB -0.606 41.456 42.059 0.004 0.000 1.039 653 L HN 0.687 nan 8.230 nan 0.000 0.442 654 H N 0.621 119.735 119.070 0.074 0.000 2.636 654 H HA -0.207 4.360 4.556 0.018 0.000 0.312 654 H C 1.540 176.904 175.328 0.061 0.000 1.106 654 H CA 0.862 56.946 56.048 0.060 0.000 1.139 654 H CB -1.515 28.279 29.762 0.054 0.000 1.423 654 H HN 0.612 nan 8.280 nan 0.000 0.407 655 G N -0.417 108.465 108.800 0.138 0.000 2.159 655 G HA2 -0.332 3.638 3.960 0.018 0.000 0.256 655 G HA3 -0.332 3.638 3.960 0.018 0.000 0.256 655 G C 0.380 175.345 174.900 0.108 0.000 0.977 655 G CA 0.427 45.592 45.100 0.109 0.000 0.652 655 G HN 0.495 nan 8.290 nan 0.000 0.531 656 K N 1.518 122.000 120.400 0.137 0.000 2.319 656 K HA 0.428 4.758 4.320 0.018 0.000 0.237 656 K C 0.924 177.624 176.600 0.166 0.000 1.113 656 K CA 0.344 56.729 56.287 0.163 0.000 1.072 656 K CB 0.356 32.995 32.500 0.232 0.000 1.734 656 K HN 0.265 nan 8.250 nan 0.000 0.429 657 T N -2.248 112.373 114.554 0.111 0.000 3.186 657 T HA 0.009 4.370 4.350 0.018 0.000 0.257 657 T C 0.545 175.304 174.700 0.099 0.000 1.029 657 T CA -0.522 61.627 62.100 0.082 0.000 0.916 657 T CB -0.301 68.603 68.868 0.060 0.000 1.041 657 T HN 0.370 nan 8.240 nan 0.000 0.562 658 T N -0.544 114.089 114.554 0.132 0.000 2.863 658 T HA 0.429 4.790 4.350 0.018 0.000 0.285 658 T C 0.856 175.685 174.700 0.214 0.000 1.009 658 T CA -1.045 61.152 62.100 0.163 0.000 0.989 658 T CB 1.309 70.233 68.868 0.093 0.000 1.004 658 T HN 0.191 nan 8.240 nan 0.000 0.455 659 Y N 1.427 121.800 120.300 0.122 0.000 2.241 659 Y HA -0.085 4.474 4.550 0.015 0.000 0.286 659 Y C 1.764 177.799 175.900 0.226 0.000 1.166 659 Y CA 1.430 59.642 58.100 0.186 0.000 1.203 659 Y CB -0.884 37.650 38.460 0.123 0.000 0.977 659 Y HN 0.722 nan 8.280 nan 0.000 0.529 660 E N 0.787 120.646 120.200 -0.568 0.000 2.047 660 E HA -0.118 4.243 4.350 0.018 0.000 0.191 660 E C 2.080 178.609 176.600 -0.117 0.000 0.987 660 E CA 1.499 57.617 56.400 -0.471 0.000 0.799 660 E CB -0.065 29.387 29.700 -0.413 0.000 0.752 660 E HN 0.525 nan 8.360 nan 0.000 0.449 661 K N -0.340 120.042 120.400 -0.029 0.000 2.155 661 K HA -0.140 4.191 4.320 0.018 0.000 0.203 661 K C 2.054 178.703 176.600 0.083 0.000 1.052 661 K CA 0.922 57.230 56.287 0.034 0.000 0.948 661 K CB -0.119 32.425 32.500 0.072 0.000 0.728 661 K HN 0.161 nan 8.250 nan 0.000 0.448 662 Y N 1.685 122.004 120.300 0.031 0.000 2.153 662 Y HA -0.095 4.466 4.550 0.017 0.000 0.289 662 Y C 1.761 177.698 175.900 0.062 0.000 1.127 662 Y CA 1.289 59.427 58.100 0.063 0.000 1.131 662 Y CB -0.183 38.336 38.460 0.098 0.000 0.995 662 Y HN -0.134 nan 8.280 nan 0.000 0.505 663 L N 0.102 121.347 121.223 0.037 0.000 2.313 663 L HA 0.158 4.509 4.340 0.018 0.000 0.214 663 L C 1.038 177.915 176.870 0.011 0.000 1.119 663 L CA 0.481 55.333 54.840 0.019 0.000 0.809 663 L CB -1.129 41.139 42.059 0.349 0.000 0.933 663 L HN 0.466 nan 8.230 nan 0.000 0.449 664 G N 0.073 108.872 108.800 -0.002 0.000 2.764 664 G HA2 -0.168 3.803 3.960 0.018 0.000 0.686 664 G HA3 -0.168 3.803 3.960 0.018 0.000 0.686 664 G C -1.813 173.118 174.900 0.053 0.000 1.258 664 G CA -0.463 44.642 45.100 0.008 0.000 0.846 664 G HN -0.000 nan 8.290 nan 0.000 0.596 665 P HA -0.287 nan 4.420 nan 0.000 0.218 665 P C 1.673 179.000 177.300 0.046 0.000 1.165 665 P CA 2.431 65.549 63.100 0.030 0.000 0.922 665 P CB -0.003 31.708 31.700 0.018 0.000 0.794 666 Q N -1.452 118.380 119.800 0.054 0.000 2.084 666 Q HA -0.187 4.164 4.340 0.018 0.000 0.202 666 Q C 2.393 178.439 176.000 0.076 0.000 0.978 666 Q CA 1.457 57.293 55.803 0.056 0.000 0.844 666 Q CB -1.465 27.306 28.738 0.055 0.000 0.898 666 Q HN 0.322 nan 8.270 nan 0.000 0.426 667 Y N 0.585 120.875 120.300 -0.017 0.000 2.114 667 Y HA -0.212 4.350 4.550 0.020 0.000 0.284 667 Y C 2.083 177.972 175.900 -0.017 0.000 1.143 667 Y CA 1.252 59.339 58.100 -0.022 0.000 1.135 667 Y CB -0.296 38.150 38.460 -0.024 0.000 0.980 667 Y HN -0.076 nan 8.280 nan 0.000 0.499 668 V N 0.257 120.207 119.914 0.060 0.000 2.490 668 V HA -0.301 3.830 4.120 0.018 0.000 0.250 668 V C 2.593 178.663 176.094 -0.040 0.000 1.061 668 V CA 1.534 63.846 62.300 0.020 0.000 1.064 668 V CB -1.484 30.422 31.823 0.138 0.000 0.670 668 V HN 0.561 nan 8.190 nan 0.000 0.461 669 A N 0.622 123.434 122.820 -0.012 0.000 1.883 669 A HA -0.123 4.208 4.320 0.018 0.000 0.217 669 A C 2.438 179.994 177.584 -0.046 0.000 1.186 669 A CA 2.022 54.059 52.037 -0.000 0.000 0.624 669 A CB -1.222 17.791 19.000 0.021 0.000 0.822 669 A HN 0.517 nan 8.150 nan 0.000 0.444 670 G N -0.057 108.686 108.800 -0.095 0.000 2.418 670 G HA2 -0.170 3.801 3.960 0.018 0.000 0.217 670 G HA3 -0.170 3.801 3.960 0.018 0.000 0.217 670 G C 1.491 176.243 174.900 -0.246 0.000 1.158 670 G CA 1.098 46.118 45.100 -0.132 0.000 0.771 670 G HN 0.461 nan 8.290 nan 0.000 0.545 671 I N 0.901 121.212 120.570 -0.432 0.000 2.252 671 I HA -0.145 4.036 4.170 0.018 0.000 0.245 671 I C 2.924 178.790 176.117 -0.418 0.000 1.102 671 I CA 1.446 62.399 61.300 -0.578 0.000 1.385 671 I CB -1.098 36.285 38.000 -1.029 0.000 1.064 671 I HN 0.113 nan 8.210 nan 0.000 0.414 672 T N 1.091 115.470 114.554 -0.291 0.000 2.635 672 T HA -0.213 4.148 4.350 0.018 0.000 0.267 672 T C 1.792 176.469 174.700 -0.039 0.000 1.040 672 T CA 1.696 63.761 62.100 -0.059 0.000 1.156 672 T CB -0.451 68.433 68.868 0.027 0.000 0.863 672 T HN 0.352 nan 8.240 nan 0.000 0.430 673 N N 0.847 119.524 118.700 -0.039 0.000 2.036 673 N HA -0.059 4.692 4.740 0.018 0.000 0.195 673 N C 1.950 177.387 175.510 -0.121 0.000 1.037 673 N CA 1.131 54.186 53.050 0.008 0.000 0.855 673 N CB -0.356 38.195 38.487 0.107 0.000 1.033 673 N HN 0.315 nan 8.380 nan 0.000 0.423 674 L N 1.344 122.436 121.223 -0.218 0.000 2.131 674 L HA -0.133 4.218 4.340 0.018 0.000 0.210 674 L C 2.195 179.009 176.870 -0.093 0.000 1.092 674 L CA 0.964 55.644 54.840 -0.268 0.000 0.759 674 L CB -0.206 41.712 42.059 -0.235 0.000 0.903 674 L HN 0.089 nan 8.230 nan 0.000 0.435 675 K N 0.462 120.815 120.400 -0.078 0.000 2.147 675 K HA -0.144 4.187 4.320 0.018 0.000 0.205 675 K C 1.847 178.464 176.600 0.028 0.000 1.049 675 K CA 1.058 57.346 56.287 0.003 0.000 0.936 675 K CB -0.190 32.340 32.500 0.051 0.000 0.722 675 K HN 0.389 nan 8.250 nan 0.000 0.446 676 K N 0.090 120.498 120.400 0.014 0.000 2.283 676 K HA -0.058 4.273 4.320 0.018 0.000 0.202 676 K C 2.130 178.737 176.600 0.013 0.000 1.048 676 K CA 0.828 57.131 56.287 0.028 0.000 0.948 676 K CB -0.220 32.306 32.500 0.044 0.000 0.742 676 K HN 0.090 nan 8.250 nan 0.000 0.458 677 c N 1.170 119.758 118.600 -0.021 0.000 2.432 677 c HA -0.024 4.557 4.570 0.018 0.000 0.282 677 c C 0.916 175.001 174.090 -0.007 0.000 1.388 677 c CA 0.455 56.746 56.329 -0.063 0.000 1.777 677 c CB -0.948 41.426 42.510 -0.227 0.000 1.882 677 c HN 0.552 nan 8.230 nan 0.000 0.520 678 S N -2.676 113.045 115.700 0.036 0.000 2.804 678 S HA 0.163 4.644 4.470 0.018 0.000 0.296 678 S C -1.054 173.582 174.600 0.059 0.000 0.865 678 S CA -0.521 57.707 58.200 0.046 0.000 0.809 678 S CB 0.184 63.411 63.200 0.044 0.000 1.011 678 S HN 0.145 nan 8.310 nan 0.000 0.495 679 T N 2.307 116.891 114.554 0.049 0.000 2.907 679 T HA 0.754 5.114 4.350 0.018 0.000 0.284 679 T C 0.465 175.187 174.700 0.037 0.000 1.004 679 T CA 0.194 62.326 62.100 0.054 0.000 1.063 679 T CB 0.787 69.687 68.868 0.054 0.000 0.992 679 T HN 1.281 nan 8.240 nan 0.000 0.483 680 S N 4.398 120.122 115.700 0.040 0.000 2.632 680 S HA 0.360 4.841 4.470 0.018 0.000 0.267 680 S C -1.911 172.695 174.600 0.011 0.000 1.276 680 S CA -1.211 57.001 58.200 0.020 0.000 0.998 680 S CB 0.860 64.072 63.200 0.020 0.000 0.953 680 S HN 0.496 nan 8.310 nan 0.000 0.547 681 P HA -0.090 nan 4.420 nan 0.000 0.218 681 P C 1.506 178.796 177.300 -0.017 0.000 1.148 681 P CA 0.537 63.627 63.100 -0.016 0.000 0.822 681 P CB 0.060 31.745 31.700 -0.025 0.000 0.784 682 L N -1.206 120.009 121.223 -0.013 0.000 2.109 682 L HA -0.098 4.253 4.340 0.018 0.000 0.207 682 L C 1.892 178.756 176.870 -0.010 0.000 1.086 682 L CA 1.579 56.409 54.840 -0.017 0.000 0.760 682 L CB -0.894 41.152 42.059 -0.022 0.000 0.910 682 L HN 0.007 nan 8.230 nan 0.000 0.437 683 L N 0.046 121.273 121.223 0.006 0.000 2.109 683 L HA -0.132 4.219 4.340 0.018 0.000 0.207 683 L C 2.566 179.446 176.870 0.016 0.000 1.086 683 L CA 1.411 56.257 54.840 0.009 0.000 0.760 683 L CB -0.895 41.192 42.059 0.046 0.000 0.910 683 L HN 0.270 nan 8.230 nan 0.000 0.437 684 E N -0.467 119.745 120.200 0.019 0.000 2.017 684 E HA -0.222 4.139 4.350 0.018 0.000 0.193 684 E C 2.154 178.780 176.600 0.042 0.000 0.997 684 E CA 1.341 57.756 56.400 0.025 0.000 0.804 684 E CB -0.143 29.559 29.700 0.003 0.000 0.757 684 E HN 0.442 nan 8.360 nan 0.000 0.448 685 A N 1.141 123.970 122.820 0.015 0.000 1.917 685 A HA -0.238 4.093 4.320 0.018 0.000 0.219 685 A C 2.484 180.116 177.584 0.081 0.000 1.182 685 A CA 1.682 53.739 52.037 0.033 0.000 0.633 685 A CB -0.997 17.996 19.000 -0.012 0.000 0.819 685 A HN 0.396 nan 8.150 nan 0.000 0.448 686 c N -0.120 118.497 118.600 0.029 0.000 2.456 686 c HA 0.021 4.601 4.570 0.018 0.000 0.279 686 c C 2.536 176.631 174.090 0.008 0.000 1.427 686 c CA 0.861 57.193 56.329 0.004 0.000 1.778 686 c CB -1.513 40.964 42.510 -0.055 0.000 1.842 686 c HN 0.879 nan 8.230 nan 0.000 0.531 687 E N 0.771 120.995 120.200 0.040 0.000 2.076 687 E HA -0.174 4.186 4.350 0.018 0.000 0.190 687 E C 1.911 178.526 176.600 0.026 0.000 0.979 687 E CA 0.920 57.336 56.400 0.026 0.000 0.807 687 E CB -0.764 28.962 29.700 0.043 0.000 0.761 687 E HN 0.503 nan 8.360 nan 0.000 0.454 688 F N 1.504 121.435 119.950 -0.033 0.000 2.095 688 F HA -0.113 4.425 4.527 0.019 0.000 0.298 688 F C 1.632 177.407 175.800 -0.043 0.000 1.104 688 F CA 1.161 59.144 58.000 -0.029 0.000 1.232 688 F CB -0.004 38.982 39.000 -0.023 0.000 0.987 688 F HN 0.011 nan 8.300 nan 0.000 0.475 689 L N 0.203 121.485 121.223 0.099 0.000 2.599 689 L HA 0.044 4.395 4.340 0.018 0.000 0.230 689 L C 1.929 178.717 176.870 -0.137 0.000 1.141 689 L CA 0.854 55.669 54.840 -0.042 0.000 0.877 689 L CB -1.055 41.044 42.059 0.067 0.000 1.009 689 L HN 0.040 nan 8.230 nan 0.000 0.447 690 R N 0.085 120.509 120.500 -0.127 0.000 2.156 690 R HA 0.117 4.467 4.340 0.018 0.000 0.207 690 R C 0.831 177.057 176.300 -0.125 0.000 1.040 690 R CA 0.341 56.373 56.100 -0.113 0.000 1.013 690 R CB -0.015 30.239 30.300 -0.077 0.000 0.931 690 R HN 0.413 nan 8.270 nan 0.000 0.465 691 K N 0.000 120.309 120.400 -0.152 0.000 2.780 691 K HA 0.000 4.331 4.320 0.018 0.000 0.191 691 K CA 0.000 56.213 56.287 -0.124 0.000 0.838 691 K CB 0.000 32.417 32.500 -0.138 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543