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 3b82_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.852 176.094 -0.403 0.000 1.182 2 V CA 0.000 62.152 62.300 -0.247 0.000 1.235 2 V CB 0.000 31.661 31.823 -0.271 0.000 1.184 3 A N 6.770 129.340 122.820 -0.418 0.000 2.401 3 A HA 0.879 5.203 4.320 0.008 0.000 0.259 3 A C -0.987 176.264 177.584 -0.555 0.000 1.103 3 A CA 0.083 51.916 52.037 -0.339 0.000 0.789 3 A CB 0.233 19.110 19.000 -0.204 0.000 1.035 3 A HN 0.928 nan 8.150 nan 0.000 0.491 4 F N 0.003 119.910 119.950 -0.072 0.000 2.603 4 F HA 0.570 5.101 4.527 0.007 0.000 0.317 4 F C 0.893 176.656 175.800 -0.061 0.000 1.066 4 F CA -0.239 57.710 58.000 -0.085 0.000 0.941 4 F CB 2.386 41.324 39.000 -0.103 0.000 1.291 4 F HN 0.678 nan 8.300 nan 0.000 0.472 5 T N -1.778 112.884 114.554 0.180 0.000 2.927 5 T HA 0.415 4.769 4.350 0.008 0.000 0.281 5 T C 0.944 175.675 174.700 0.053 0.000 0.998 5 T CA -0.720 61.426 62.100 0.077 0.000 1.019 5 T CB 1.326 70.220 68.868 0.043 0.000 1.061 5 T HN 0.311 nan 8.240 nan 0.000 0.518 6 V N 1.290 121.219 119.914 0.025 0.000 2.453 6 V HA -0.192 3.932 4.120 0.008 0.000 0.252 6 V C 2.310 178.396 176.094 -0.012 0.000 1.068 6 V CA 2.101 64.405 62.300 0.006 0.000 1.070 6 V CB -0.908 30.916 31.823 0.002 0.000 0.664 6 V HN 0.853 nan 8.190 nan 0.000 0.461 7 D N -0.122 120.272 120.400 -0.009 0.000 2.084 7 D HA -0.184 4.461 4.640 0.008 0.000 0.194 7 D C 2.324 178.597 176.300 -0.046 0.000 0.990 7 D CA 1.343 55.330 54.000 -0.022 0.000 0.826 7 D CB -0.369 40.423 40.800 -0.013 0.000 0.971 7 D HN 0.524 nan 8.370 nan 0.000 0.453 8 Q N -0.453 119.321 119.800 -0.044 0.000 2.135 8 Q HA -0.110 4.235 4.340 0.008 0.000 0.204 8 Q C 2.180 178.043 176.000 -0.228 0.000 0.981 8 Q CA 0.938 56.668 55.803 -0.121 0.000 0.856 8 Q CB -0.032 28.670 28.738 -0.060 0.000 0.902 8 Q HN 0.242 nan 8.270 nan 0.000 0.425 9 M N -0.044 119.454 119.600 -0.170 0.000 2.099 9 M HA -0.134 4.351 4.480 0.008 0.000 0.262 9 M C 2.177 178.407 176.300 -0.116 0.000 1.067 9 M CA 1.431 56.634 55.300 -0.163 0.000 1.124 9 M CB -0.714 31.841 32.600 -0.074 0.000 1.353 9 M HN 0.064 nan 8.290 nan 0.000 0.410 10 R N 1.261 121.713 120.500 -0.081 0.000 2.081 10 R HA -0.094 4.251 4.340 0.008 0.000 0.235 10 R C 2.267 178.523 176.300 -0.073 0.000 1.131 10 R CA 2.355 58.416 56.100 -0.065 0.000 0.960 10 R CB -0.890 29.382 30.300 -0.047 0.000 0.856 10 R HN 0.484 nan 8.270 nan 0.000 0.436 11 S N -0.434 115.217 115.700 -0.083 0.000 2.469 11 S HA -0.103 4.372 4.470 0.008 0.000 0.238 11 S C 1.730 176.272 174.600 -0.097 0.000 0.998 11 S CA 1.021 59.173 58.200 -0.081 0.000 0.957 11 S CB -0.255 62.899 63.200 -0.077 0.000 0.764 11 S HN 0.319 nan 8.310 nan 0.000 0.514 12 L N 0.550 121.700 121.223 -0.121 0.000 2.298 12 L HA 0.457 4.802 4.340 0.008 0.000 0.209 12 L C 2.197 179.014 176.870 -0.088 0.000 1.084 12 L CA 1.201 55.970 54.840 -0.119 0.000 0.816 12 L CB -0.543 41.416 42.059 -0.167 0.000 0.967 12 L HN 0.269 nan 8.230 nan 0.000 0.460 13 M N -1.146 118.406 119.600 -0.079 0.000 2.492 13 M HA -0.098 4.387 4.480 0.008 0.000 0.262 13 M C 1.515 177.778 176.300 -0.061 0.000 1.090 13 M CA 0.868 56.130 55.300 -0.063 0.000 1.110 13 M CB -0.345 32.221 32.600 -0.058 0.000 1.407 13 M HN 0.195 nan 8.290 nan 0.000 0.470 14 D N 1.528 121.890 120.400 -0.064 0.000 2.149 14 D HA -0.065 4.579 4.640 0.008 0.000 0.201 14 D C 0.347 176.612 176.300 -0.059 0.000 0.972 14 D CA 0.956 54.922 54.000 -0.057 0.000 0.835 14 D CB 0.259 41.026 40.800 -0.055 0.000 0.966 14 D HN 0.265 nan 8.370 nan 0.000 0.476 15 K N 0.880 121.238 120.400 -0.070 0.000 2.142 15 K HA 0.154 4.479 4.320 0.008 0.000 0.250 15 K C 1.159 177.719 176.600 -0.067 0.000 1.148 15 K CA -0.400 55.841 56.287 -0.076 0.000 1.040 15 K CB 1.502 33.937 32.500 -0.108 0.000 1.569 15 K HN -0.101 nan 8.250 nan 0.000 0.361 16 V N 1.107 120.990 119.914 -0.052 0.000 2.490 16 V HA -0.259 3.866 4.120 0.008 0.000 0.250 16 V C 2.437 178.517 176.094 -0.024 0.000 1.061 16 V CA 2.341 64.616 62.300 -0.042 0.000 1.064 16 V CB -0.838 30.957 31.823 -0.046 0.000 0.670 16 V HN 0.787 nan 8.190 nan 0.000 0.461 17 T N -1.522 113.018 114.554 -0.024 0.000 2.977 17 T HA -0.150 4.205 4.350 0.008 0.000 0.271 17 T C 1.086 175.811 174.700 0.042 0.000 1.105 17 T CA 1.577 63.679 62.100 0.002 0.000 1.116 17 T CB -0.441 68.423 68.868 -0.007 0.000 0.878 17 T HN 0.472 nan 8.240 nan 0.000 0.509 18 N N 0.771 119.469 118.700 -0.004 0.000 2.380 18 N HA 0.396 5.141 4.740 0.008 0.000 0.255 18 N C -1.182 174.403 175.510 0.125 0.000 1.158 18 N CA -0.200 52.866 53.050 0.027 0.000 0.878 18 N CB 1.019 39.261 38.487 -0.408 0.000 1.138 18 N HN 0.286 nan 8.380 nan 0.000 0.509 19 V N 0.703 120.674 119.914 0.095 0.000 2.628 19 V HA 0.518 4.643 4.120 0.008 0.000 0.306 19 V C -0.150 175.983 176.094 0.064 0.000 1.045 19 V CA -0.861 61.479 62.300 0.067 0.000 0.905 19 V CB 2.300 34.128 31.823 0.007 0.000 0.997 19 V HN 0.072 nan 8.190 nan 0.000 0.436 20 R N 2.993 123.524 120.500 0.053 0.000 2.407 20 R HA 0.390 4.735 4.340 0.008 0.000 0.298 20 R C -0.977 175.335 176.300 0.020 0.000 1.166 20 R CA -0.578 55.540 56.100 0.030 0.000 1.006 20 R CB 0.906 31.218 30.300 0.019 0.000 1.145 20 R HN 0.580 nan 8.270 nan 0.000 0.538 21 N N 4.192 122.895 118.700 0.006 0.000 2.402 21 N HA 0.263 5.007 4.740 0.008 0.000 0.252 21 N C 0.059 175.580 175.510 0.019 0.000 1.118 21 N CA -0.093 52.961 53.050 0.006 0.000 0.945 21 N CB 0.989 39.460 38.487 -0.027 0.000 1.147 21 N HN 0.415 nan 8.380 nan 0.000 0.495 22 M N -0.823 118.794 119.600 0.029 0.000 2.683 22 M HA 0.638 5.122 4.480 0.008 0.000 0.274 22 M C -0.325 175.993 176.300 0.031 0.000 1.272 22 M CA -0.989 54.326 55.300 0.025 0.000 0.833 22 M CB 1.435 34.042 32.600 0.012 0.000 1.708 22 M HN 0.206 nan 8.290 nan 0.000 0.463 23 S N -0.437 115.275 115.700 0.021 0.000 2.740 23 S HA 0.967 5.442 4.470 0.008 0.000 0.300 23 S C -1.271 173.330 174.600 0.002 0.000 1.147 23 S CA -0.823 57.388 58.200 0.019 0.000 0.871 23 S CB 1.737 64.953 63.200 0.027 0.000 1.173 23 S HN 0.901 nan 8.310 nan 0.000 0.510 24 V N 1.486 121.399 119.914 -0.001 0.000 2.378 24 V HA 0.447 4.572 4.120 0.008 0.000 0.288 24 V C -0.759 175.331 176.094 -0.007 0.000 1.016 24 V CA -0.543 61.751 62.300 -0.010 0.000 0.840 24 V CB 0.951 32.767 31.823 -0.010 0.000 0.994 24 V HN 0.778 nan 8.190 nan 0.000 0.431 25 I N 4.980 125.542 120.570 -0.014 0.000 2.291 25 I HA 0.723 4.898 4.170 0.008 0.000 0.290 25 I C 0.358 176.479 176.117 0.006 0.000 1.050 25 I CA 0.105 61.401 61.300 -0.008 0.000 1.245 25 I CB 0.945 38.930 38.000 -0.025 0.000 1.405 25 I HN 0.732 nan 8.210 nan 0.000 0.478 26 A N 5.568 128.409 122.820 0.034 0.000 2.594 26 A HA 0.382 4.707 4.320 0.008 0.000 0.296 26 A C -1.128 176.532 177.584 0.127 0.000 1.061 26 A CA -0.626 51.465 52.037 0.089 0.000 0.689 26 A CB 1.264 20.306 19.000 0.070 0.000 1.280 26 A HN 0.674 nan 8.150 nan 0.000 0.406 27 H N 1.511 120.666 119.070 0.142 0.000 2.732 27 H HA 0.218 4.779 4.556 0.009 0.000 0.351 27 H C 1.160 176.501 175.328 0.020 0.000 1.090 27 H CA 0.938 57.026 56.048 0.066 0.000 1.431 27 H CB 1.493 31.258 29.762 0.005 0.000 1.447 27 H HN 0.337 nan 8.280 nan 0.000 0.582 28 V N 3.963 123.769 119.914 -0.179 0.000 2.469 28 V HA -0.229 3.895 4.120 0.008 0.000 0.251 28 V C 1.361 177.494 176.094 0.066 0.000 1.064 28 V CA 1.973 64.247 62.300 -0.044 0.000 1.066 28 V CB -0.255 31.514 31.823 -0.090 0.000 0.667 28 V HN 0.710 nan 8.190 nan 0.000 0.461 29 D N -1.378 119.152 120.400 0.216 0.000 2.349 29 D HA 0.000 4.645 4.640 0.008 0.000 0.224 29 D C 1.331 177.614 176.300 -0.028 0.000 1.029 29 D CA 0.564 54.612 54.000 0.080 0.000 0.879 29 D CB -0.234 40.590 40.800 0.041 0.000 0.906 29 D HN 0.606 nan 8.370 nan 0.000 0.528 30 H N -0.902 118.254 119.070 0.143 0.000 2.505 30 H HA 0.327 4.887 4.556 0.007 0.000 0.289 30 H C 1.029 176.375 175.328 0.031 0.000 1.052 30 H CA -0.061 56.026 56.048 0.064 0.000 1.156 30 H CB 0.575 30.372 29.762 0.060 0.000 1.507 30 H HN 0.053 nan 8.280 nan 0.000 0.548 31 G N 1.985 110.856 108.800 0.118 0.000 2.256 31 G HA2 -0.367 3.597 3.960 0.008 0.000 0.272 31 G HA3 -0.367 3.597 3.960 0.008 0.000 0.272 31 G C 1.106 176.032 174.900 0.043 0.000 1.076 31 G CA 0.698 45.832 45.100 0.057 0.000 0.882 31 G HN 0.509 nan 8.290 nan 0.000 0.497 32 K N 0.500 120.933 120.400 0.053 0.000 1.991 32 K HA -0.151 4.173 4.320 0.008 0.000 0.212 32 K C 2.896 179.501 176.600 0.008 0.000 1.049 32 K CA 2.281 58.586 56.287 0.031 0.000 0.932 32 K CB -0.363 32.155 32.500 0.029 0.000 0.717 32 K HN 0.755 nan 8.250 nan 0.000 0.441 33 S N -0.224 115.478 115.700 0.003 0.000 2.419 33 S HA -0.113 4.361 4.470 0.008 0.000 0.233 33 S C 1.882 176.480 174.600 -0.003 0.000 1.016 33 S CA 1.624 59.821 58.200 -0.005 0.000 0.974 33 S CB -0.665 62.529 63.200 -0.011 0.000 0.786 33 S HN 0.377 nan 8.310 nan 0.000 0.492 34 T N 3.210 117.763 114.554 -0.001 0.000 2.701 34 T HA 0.112 4.466 4.350 0.008 0.000 0.263 34 T C 1.736 176.432 174.700 -0.007 0.000 1.040 34 T CA 1.411 63.508 62.100 -0.005 0.000 1.147 34 T CB -0.543 68.319 68.868 -0.009 0.000 0.865 34 T HN 0.306 nan 8.240 nan 0.000 0.426 35 L N 0.837 122.052 121.223 -0.012 0.000 2.201 35 L HA -0.082 4.262 4.340 0.008 0.000 0.212 35 L C 2.829 179.693 176.870 -0.009 0.000 1.105 35 L CA 1.021 55.850 54.840 -0.019 0.000 0.775 35 L CB -0.943 41.096 42.059 -0.034 0.000 0.913 35 L HN 0.318 nan 8.230 nan 0.000 0.440 36 T N -1.157 113.393 114.554 -0.005 0.000 2.867 36 T HA -0.146 4.209 4.350 0.008 0.000 0.268 36 T C 1.379 176.084 174.700 0.008 0.000 1.057 36 T CA 1.196 63.296 62.100 0.000 0.000 1.136 36 T CB -0.164 68.703 68.868 -0.002 0.000 0.874 36 T HN 0.302 nan 8.240 nan 0.000 0.466 37 D N 1.147 121.552 120.400 0.008 0.000 2.117 37 D HA -0.018 4.626 4.640 0.008 0.000 0.198 37 D C 2.425 178.739 176.300 0.023 0.000 0.982 37 D CA 0.845 54.855 54.000 0.015 0.000 0.828 37 D CB -0.404 40.404 40.800 0.012 0.000 0.967 37 D HN 0.232 nan 8.370 nan 0.000 0.464 38 S N 0.396 116.108 115.700 0.021 0.000 2.383 38 S HA -0.105 4.369 4.470 0.008 0.000 0.229 38 S C 2.155 176.775 174.600 0.033 0.000 1.030 38 S CA 0.590 58.807 58.200 0.030 0.000 1.002 38 S CB -0.191 63.025 63.200 0.025 0.000 0.829 38 S HN 0.250 nan 8.310 nan 0.000 0.467 39 L N 1.186 122.424 121.223 0.026 0.000 2.056 39 L HA -0.068 4.276 4.340 0.008 0.000 0.207 39 L C 2.511 179.409 176.870 0.047 0.000 1.078 39 L CA 1.084 55.943 54.840 0.032 0.000 0.749 39 L CB -0.700 41.373 42.059 0.022 0.000 0.901 39 L HN 0.337 nan 8.230 nan 0.000 0.433 40 V N -3.190 116.751 119.914 0.045 0.000 2.667 40 V HA -0.213 3.911 4.120 0.008 0.000 0.252 40 V C 2.021 178.150 176.094 0.058 0.000 1.065 40 V CA 1.384 63.718 62.300 0.056 0.000 1.083 40 V CB -0.603 31.250 31.823 0.049 0.000 0.692 40 V HN 0.515 nan 8.190 nan 0.000 0.468 41 Q N -0.049 119.781 119.800 0.049 0.000 2.432 41 Q HA -0.046 4.299 4.340 0.008 0.000 0.205 41 Q C 2.192 178.223 176.000 0.051 0.000 0.945 41 Q CA 0.821 56.652 55.803 0.047 0.000 0.924 41 Q CB 0.203 28.966 28.738 0.042 0.000 1.016 41 Q HN 0.690 nan 8.270 nan 0.000 0.503 42 R N -0.683 119.851 120.500 0.056 0.000 2.098 42 R HA 0.221 4.566 4.340 0.008 0.000 0.203 42 R C 1.029 177.378 176.300 0.080 0.000 1.166 42 R CA 1.422 57.559 56.100 0.061 0.000 1.090 42 R CB -0.271 30.061 30.300 0.054 0.000 0.992 42 R HN 0.051 nan 8.270 nan 0.000 0.477 43 A N 0.129 123.004 122.820 0.092 0.000 2.503 43 A HA 0.450 4.775 4.320 0.008 0.000 0.263 43 A C 0.601 178.282 177.584 0.162 0.000 1.258 43 A CA -0.020 52.100 52.037 0.138 0.000 0.936 43 A CB -0.115 18.954 19.000 0.116 0.000 1.070 43 A HN 0.376 nan 8.150 nan 0.000 0.522 44 G N 0.407 109.279 108.800 0.120 0.000 2.305 44 G HA2 0.388 4.353 3.960 0.008 0.000 0.243 44 G HA3 0.388 4.353 3.960 0.008 0.000 0.243 44 G C -0.123 174.861 174.900 0.140 0.000 1.288 44 G CA 0.002 45.174 45.100 0.120 0.000 0.901 44 G HN 0.365 nan 8.290 nan 0.000 0.516 45 I N 3.185 123.859 120.570 0.174 0.000 2.304 45 I HA 0.236 4.411 4.170 0.008 0.000 0.291 45 I C 0.345 176.548 176.117 0.144 0.000 1.018 45 I CA -0.211 61.215 61.300 0.210 0.000 1.260 45 I CB 0.805 38.984 38.000 0.298 0.000 1.390 45 I HN 0.243 nan 8.210 nan 0.000 0.475 46 I N 4.941 125.554 120.570 0.072 0.000 2.793 46 I HA 0.325 4.499 4.170 0.008 0.000 0.313 46 I C 0.384 176.512 176.117 0.019 0.000 0.998 46 I CA -0.551 60.766 61.300 0.027 0.000 1.140 46 I CB 1.819 39.801 38.000 -0.029 0.000 1.327 46 I HN 0.526 nan 8.210 nan 0.000 0.491 47 S N 2.677 118.368 115.700 -0.015 0.000 2.449 47 S HA 0.785 5.259 4.470 0.008 0.000 0.310 47 S C -0.288 174.281 174.600 -0.052 0.000 1.096 47 S CA -0.792 57.404 58.200 -0.006 0.000 1.095 47 S CB 1.638 64.841 63.200 0.004 0.000 1.007 47 S HN 0.758 nan 8.310 nan 0.000 0.474 68 I N 3.397 124.039 120.570 0.120 0.000 2.354 68 I HA 0.411 4.586 4.170 0.008 0.000 0.286 68 I C 0.226 176.424 176.117 0.136 0.000 1.007 68 I CA -0.528 60.844 61.300 0.119 0.000 1.167 68 I CB 1.770 39.869 38.000 0.164 0.000 1.320 68 I HN 0.372 nan 8.210 nan 0.000 0.458 69 T N 5.181 119.771 114.554 0.060 0.000 2.943 69 T HA 0.815 5.169 4.350 0.008 0.000 0.284 69 T C -0.257 174.408 174.700 -0.059 0.000 1.015 69 T CA -0.663 61.432 62.100 -0.009 0.000 1.042 69 T CB 2.131 70.960 68.868 -0.066 0.000 1.055 69 T HN 0.511 nan 8.240 nan 0.000 0.500 70 I N -1.973 118.542 120.570 -0.092 0.000 3.042 70 I HA 0.626 4.800 4.170 0.008 0.000 0.310 70 I C -0.533 175.515 176.117 -0.115 0.000 1.117 70 I CA -1.684 59.565 61.300 -0.086 0.000 1.003 70 I CB 2.302 40.307 38.000 0.009 0.000 1.228 70 I HN 0.686 nan 8.210 nan 0.000 0.443 71 K N 2.669 123.015 120.400 -0.091 0.000 2.383 71 K HA 0.142 4.467 4.320 0.008 0.000 0.286 71 K C 0.152 176.684 176.600 -0.113 0.000 1.051 71 K CA -0.026 56.203 56.287 -0.096 0.000 0.974 71 K CB 0.760 33.220 32.500 -0.065 0.000 0.968 71 K HN 0.736 nan 8.250 nan 0.000 0.475 72 S N 3.441 119.062 115.700 -0.130 0.000 2.629 72 S HA -0.033 4.441 4.470 0.008 0.000 0.302 72 S C 0.340 174.846 174.600 -0.157 0.000 1.244 72 S CA 0.171 58.293 58.200 -0.129 0.000 1.098 72 S CB 0.170 63.300 63.200 -0.116 0.000 0.858 72 S HN 0.757 nan 8.310 nan 0.000 0.502 73 T N 3.864 118.293 114.554 -0.209 0.000 2.954 73 T HA 0.528 4.883 4.350 0.008 0.000 0.252 73 T C 0.147 174.629 174.700 -0.363 0.000 0.983 73 T CA 0.386 62.260 62.100 -0.378 0.000 0.941 73 T CB 0.557 69.019 68.868 -0.677 0.000 1.141 73 T HN 0.824 nan 8.240 nan 0.000 0.500 74 A N 1.011 123.725 122.820 -0.176 0.000 2.574 74 A HA 0.797 5.122 4.320 0.008 0.000 0.297 74 A C -1.813 175.797 177.584 0.044 0.000 1.062 74 A CA -0.744 51.286 52.037 -0.012 0.000 0.686 74 A CB 1.149 20.258 19.000 0.181 0.000 1.285 74 A HN 0.285 nan 8.150 nan 0.000 0.403 75 I N 1.508 122.115 120.570 0.062 0.000 2.509 75 I HA 0.444 4.619 4.170 0.008 0.000 0.293 75 I C 0.250 176.423 176.117 0.093 0.000 1.020 75 I CA -0.676 60.668 61.300 0.073 0.000 1.088 75 I CB 2.490 40.523 38.000 0.054 0.000 1.267 75 I HN 0.674 nan 8.210 nan 0.000 0.430 76 S N 6.350 122.116 115.700 0.110 0.000 2.429 76 S HA 0.751 5.225 4.470 0.008 0.000 0.302 76 S C -0.776 173.909 174.600 0.142 0.000 1.115 76 S CA -0.711 57.560 58.200 0.119 0.000 1.095 76 S CB 1.276 64.549 63.200 0.120 0.000 0.987 76 S HN 0.329 nan 8.310 nan 0.000 0.474 77 L N 2.791 124.099 121.223 0.141 0.000 2.333 77 L HA 0.592 4.936 4.340 0.008 0.000 0.269 77 L C -0.814 176.197 176.870 0.236 0.000 1.010 77 L CA -0.833 54.108 54.840 0.169 0.000 0.818 77 L CB 1.474 43.599 42.059 0.110 0.000 1.306 77 L HN 0.853 nan 8.230 nan 0.000 0.430 78 Y N 1.180 121.567 120.300 0.144 0.000 2.361 78 Y HA 0.677 5.232 4.550 0.008 0.000 0.337 78 Y C -0.590 175.404 175.900 0.157 0.000 0.965 78 Y CA -0.349 57.851 58.100 0.167 0.000 1.091 78 Y CB 1.909 40.543 38.460 0.290 0.000 1.182 78 Y HN 0.554 nan 8.280 nan 0.000 0.450 79 S N 5.013 120.433 115.700 -0.467 0.000 2.521 79 S HA 0.479 4.954 4.470 0.008 0.000 0.295 79 S C -1.559 172.769 174.600 -0.453 0.000 1.098 79 S CA -0.634 57.359 58.200 -0.346 0.000 0.999 79 S CB 1.257 64.375 63.200 -0.137 0.000 1.034 79 S HN 0.834 nan 8.310 nan 0.000 0.483 80 E N 4.019 124.067 120.200 -0.254 0.000 2.222 80 E HA 0.614 4.968 4.350 0.008 0.000 0.267 80 E C -0.938 175.678 176.600 0.027 0.000 0.884 80 E CA -0.486 55.865 56.400 -0.081 0.000 0.764 80 E CB 1.257 30.961 29.700 0.008 0.000 1.169 80 E HN 0.689 nan 8.360 nan 0.000 0.413 81 M N 0.804 120.464 119.600 0.100 0.000 2.812 81 M HA 0.437 4.922 4.480 0.008 0.000 0.285 81 M C -0.337 176.006 176.300 0.073 0.000 1.216 81 M CA -0.919 54.423 55.300 0.069 0.000 0.749 81 M CB 2.045 34.673 32.600 0.047 0.000 1.756 81 M HN 0.365 nan 8.290 nan 0.000 0.439 82 S N 0.186 115.914 115.700 0.047 0.000 2.693 82 S HA 0.166 4.641 4.470 0.008 0.000 0.276 82 S C 0.051 174.677 174.600 0.043 0.000 1.192 82 S CA -0.724 57.499 58.200 0.038 0.000 0.994 82 S CB 0.886 64.098 63.200 0.020 0.000 1.012 82 S HN 0.560 nan 8.310 nan 0.000 0.550 83 D N 1.276 121.694 120.400 0.031 0.000 2.178 83 D HA -0.069 4.575 4.640 0.008 0.000 0.202 83 D C 1.332 177.646 176.300 0.022 0.000 0.974 83 D CA 1.239 55.256 54.000 0.027 0.000 0.841 83 D CB -0.045 40.766 40.800 0.018 0.000 0.953 83 D HN 0.594 nan 8.370 nan 0.000 0.478 84 E N -0.051 120.159 120.200 0.016 0.000 2.385 84 E HA -0.038 4.317 4.350 0.008 0.000 0.194 84 E C 1.075 177.676 176.600 0.002 0.000 1.013 84 E CA 0.261 56.666 56.400 0.008 0.000 0.866 84 E CB 0.307 30.011 29.700 0.006 0.000 0.832 84 E HN 0.155 nan 8.360 nan 0.000 0.500 85 D N 0.261 120.664 120.400 0.005 0.000 2.103 85 D HA -0.099 4.546 4.640 0.008 0.000 0.199 85 D C 1.972 178.263 176.300 -0.015 0.000 0.978 85 D CA 0.791 54.783 54.000 -0.013 0.000 0.829 85 D CB -0.195 40.596 40.800 -0.015 0.000 0.981 85 D HN -0.015 nan 8.370 nan 0.000 0.464 86 V N 0.837 120.771 119.914 0.033 0.000 2.568 86 V HA -0.229 3.895 4.120 0.008 0.000 0.253 86 V C 2.267 178.380 176.094 0.031 0.000 1.072 86 V CA 1.310 63.653 62.300 0.072 0.000 1.084 86 V CB -0.398 31.508 31.823 0.138 0.000 0.676 86 V HN 0.085 nan 8.190 nan 0.000 0.469 87 K N 0.493 120.901 120.400 0.014 0.000 2.209 87 K HA -0.148 4.176 4.320 0.008 0.000 0.204 87 K C 1.895 178.488 176.600 -0.013 0.000 1.048 87 K CA 1.232 57.521 56.287 0.004 0.000 0.940 87 K CB -0.115 32.387 32.500 0.003 0.000 0.729 87 K HN 0.599 nan 8.250 nan 0.000 0.451 88 E N -0.041 120.140 120.200 -0.031 0.000 2.481 88 E HA 0.008 4.362 4.350 0.008 0.000 0.195 88 E C -0.253 176.297 176.600 -0.083 0.000 1.047 88 E CA 0.024 56.392 56.400 -0.054 0.000 0.867 88 E CB 0.119 29.778 29.700 -0.068 0.000 0.858 88 E HN 0.307 nan 8.360 nan 0.000 0.513 89 I N 2.229 122.755 120.570 -0.073 0.000 2.436 89 I HA -0.001 4.173 4.170 0.008 0.000 0.289 89 I C 0.924 177.019 176.117 -0.037 0.000 1.083 89 I CA 0.210 61.462 61.300 -0.081 0.000 1.372 89 I CB 0.638 38.611 38.000 -0.046 0.000 1.408 89 I HN -0.164 nan 8.210 nan 0.000 0.516 90 K N 6.795 127.172 120.400 -0.038 0.000 2.665 90 K HA 0.035 4.360 4.320 0.008 0.000 0.214 90 K C 0.013 176.618 176.600 0.009 0.000 1.032 90 K CA 0.024 56.307 56.287 -0.008 0.000 1.198 90 K CB -0.065 32.435 32.500 0.001 0.000 0.941 90 K HN 0.644 nan 8.250 nan 0.000 0.491 91 Q N -0.653 119.154 119.800 0.011 0.000 2.421 91 Q HA 0.354 4.698 4.340 0.008 0.000 0.280 91 Q C -1.124 174.893 176.000 0.029 0.000 1.085 91 Q CA -1.307 54.511 55.803 0.025 0.000 0.807 91 Q CB 1.266 30.024 28.738 0.033 0.000 1.405 91 Q HN -0.292 nan 8.270 nan 0.000 0.419 92 K N 1.362 121.778 120.400 0.026 0.000 2.491 92 K HA 0.145 4.470 4.320 0.008 0.000 0.279 92 K C -0.988 175.631 176.600 0.033 0.000 1.026 92 K CA 0.906 57.206 56.287 0.021 0.000 1.070 92 K CB 0.300 32.806 32.500 0.011 0.000 0.887 92 K HN 0.699 nan 8.250 nan 0.000 0.481 93 T N 2.846 117.419 114.554 0.032 0.000 2.916 93 T HA 0.399 4.753 4.350 0.008 0.000 0.292 93 T C -1.297 173.394 174.700 -0.015 0.000 1.064 93 T CA -0.800 61.324 62.100 0.040 0.000 1.011 93 T CB 1.447 70.379 68.868 0.106 0.000 1.152 93 T HN 0.504 nan 8.240 nan 0.000 0.510 94 D N -0.091 120.264 120.400 -0.075 0.000 2.337 94 D HA 0.509 5.153 4.640 0.008 0.000 0.238 94 D C 0.173 176.372 176.300 -0.168 0.000 1.331 94 D CA 0.722 54.664 54.000 -0.097 0.000 0.967 94 D CB 0.074 40.824 40.800 -0.083 0.000 1.382 94 D HN 1.041 nan 8.370 nan 0.000 0.549 95 G N 2.840 111.557 108.800 -0.138 0.000 2.631 95 G HA2 -0.208 3.756 3.960 0.008 0.000 0.504 95 G HA3 -0.208 3.756 3.960 0.008 0.000 0.504 95 G C 0.291 175.061 174.900 -0.217 0.000 1.306 95 G CA -0.437 44.568 45.100 -0.158 0.000 0.897 95 G HN 0.373 nan 8.290 nan 0.000 0.520 96 N N -0.276 118.325 118.700 -0.166 0.000 2.282 96 N HA 0.207 4.952 4.740 0.008 0.000 0.185 96 N C 0.803 176.207 175.510 -0.176 0.000 1.099 96 N CA 0.800 53.804 53.050 -0.077 0.000 0.878 96 N CB 0.580 39.084 38.487 0.029 0.000 0.993 96 N HN 0.537 nan 8.380 nan 0.000 0.481 97 S N 0.489 115.998 115.700 -0.317 0.000 2.584 97 S HA 0.499 4.973 4.470 0.008 0.000 0.273 97 S C -0.553 173.669 174.600 -0.630 0.000 1.311 97 S CA -0.172 57.876 58.200 -0.254 0.000 1.034 97 S CB 0.564 63.801 63.200 0.061 0.000 0.939 97 S HN 0.050 nan 8.310 nan 0.000 0.513 98 F N 1.405 121.234 119.950 -0.202 0.000 2.574 98 F HA 0.439 4.971 4.527 0.008 0.000 0.313 98 F C -0.608 175.145 175.800 -0.079 0.000 1.130 98 F CA -0.913 57.010 58.000 -0.127 0.000 0.936 98 F CB 1.344 40.260 39.000 -0.140 0.000 1.219 98 F HN 0.315 nan 8.300 nan 0.000 0.445 99 L N 5.224 126.530 121.223 0.139 0.000 2.265 99 L HA 0.627 4.971 4.340 0.008 0.000 0.289 99 L C -0.948 175.983 176.870 0.101 0.000 1.033 99 L CA -0.212 54.698 54.840 0.116 0.000 0.814 99 L CB 0.468 42.560 42.059 0.056 0.000 1.203 99 L HN 0.478 nan 8.230 nan 0.000 0.423 100 I N 5.362 125.991 120.570 0.097 0.000 2.330 100 I HA 0.321 4.495 4.170 0.008 0.000 0.289 100 I C -0.369 175.789 176.117 0.069 0.000 1.001 100 I CA -0.546 60.796 61.300 0.069 0.000 1.193 100 I CB 1.015 39.046 38.000 0.051 0.000 1.345 100 I HN 0.551 nan 8.210 nan 0.000 0.461 101 N N 6.666 125.400 118.700 0.057 0.000 2.437 101 N HA 0.205 4.949 4.740 0.008 0.000 0.243 101 N C -0.778 174.772 175.510 0.067 0.000 1.041 101 N CA -0.472 52.618 53.050 0.068 0.000 0.940 101 N CB 1.828 40.352 38.487 0.061 0.000 1.133 101 N HN 0.362 nan 8.380 nan 0.000 0.506 102 L N 5.558 126.822 121.223 0.068 0.000 2.302 102 L HA 0.356 4.701 4.340 0.008 0.000 0.285 102 L C -0.543 176.361 176.870 0.057 0.000 1.090 102 L CA -0.489 54.382 54.840 0.052 0.000 0.866 102 L CB -0.076 42.007 42.059 0.040 0.000 1.244 102 L HN 0.295 nan 8.230 nan 0.000 0.435 103 I N 3.214 123.826 120.570 0.069 0.000 2.471 103 I HA 0.117 4.292 4.170 0.008 0.000 0.286 103 I C 0.569 176.695 176.117 0.015 0.000 1.079 103 I CA -0.248 61.097 61.300 0.076 0.000 1.398 103 I CB 0.425 38.507 38.000 0.136 0.000 1.403 103 I HN 0.534 nan 8.210 nan 0.000 0.530 104 D N 4.730 125.105 120.400 -0.042 0.000 2.399 104 D HA 0.186 4.830 4.640 0.008 0.000 0.241 104 D C -0.530 175.743 176.300 -0.045 0.000 1.133 104 D CA 0.432 54.395 54.000 -0.061 0.000 0.890 104 D CB 0.840 41.573 40.800 -0.112 0.000 1.201 104 D HN 0.489 nan 8.370 nan 0.000 0.432 105 S N 2.418 118.096 115.700 -0.037 0.000 2.566 105 S HA 0.599 5.073 4.470 0.008 0.000 0.298 105 S C -2.418 172.156 174.600 -0.044 0.000 1.083 105 S CA -1.173 57.015 58.200 -0.021 0.000 0.978 105 S CB 1.785 64.985 63.200 0.001 0.000 1.073 105 S HN 0.415 nan 8.310 nan 0.000 0.491 106 P HA 0.199 nan 4.420 nan 0.000 0.271 106 P C 0.840 178.125 177.300 -0.025 0.000 1.233 106 P CA -0.183 62.866 63.100 -0.085 0.000 0.789 106 P CB 0.270 31.973 31.700 0.006 0.000 0.951 107 G N -0.867 107.909 108.800 -0.040 0.000 2.492 107 G HA2 -0.056 3.909 3.960 0.008 0.000 0.214 107 G HA3 -0.056 3.909 3.960 0.008 0.000 0.214 107 G C 0.309 175.297 174.900 0.147 0.000 1.147 107 G CA 0.705 45.824 45.100 0.031 0.000 0.809 107 G HN 0.571 nan 8.290 nan 0.000 0.533 108 H N -0.750 118.473 119.070 0.256 0.000 2.747 108 H HA 0.290 4.851 4.556 0.008 0.000 0.371 108 H C 0.607 176.072 175.328 0.228 0.000 1.161 108 H CA -0.618 55.553 56.048 0.205 0.000 1.167 108 H CB 2.661 32.535 29.762 0.186 0.000 1.732 108 H HN -0.123 nan 8.280 nan 0.000 0.544 109 V N 3.280 123.005 119.914 -0.314 0.000 2.594 109 V HA -0.200 3.924 4.120 0.008 0.000 0.253 109 V C 1.213 177.259 176.094 -0.080 0.000 1.069 109 V CA 2.314 64.555 62.300 -0.098 0.000 1.082 109 V CB -0.329 31.413 31.823 -0.133 0.000 0.680 109 V HN 0.723 nan 8.190 nan 0.000 0.469 110 D N 0.434 120.790 120.400 -0.073 0.000 2.203 110 D HA -0.182 4.462 4.640 0.008 0.000 0.199 110 D C 1.021 177.111 176.300 -0.350 0.000 0.997 110 D CA 1.436 55.298 54.000 -0.230 0.000 0.863 110 D CB -0.426 40.208 40.800 -0.277 0.000 0.928 110 D HN 0.630 nan 8.370 nan 0.000 0.458 111 F N 1.027 120.989 119.950 0.020 0.000 2.705 111 F HA 0.117 4.648 4.527 0.007 0.000 0.355 111 F C 1.823 177.616 175.800 -0.011 0.000 1.172 111 F CA -0.349 57.654 58.000 0.005 0.000 1.332 111 F CB -0.343 38.680 39.000 0.038 0.000 1.621 111 F HN -0.238 nan 8.300 nan 0.000 0.605 112 S N -0.462 115.216 115.700 -0.035 0.000 2.368 112 S HA -0.205 4.269 4.470 0.008 0.000 0.225 112 S C 2.318 176.989 174.600 0.118 0.000 1.030 112 S CA 1.577 59.715 58.200 -0.103 0.000 0.999 112 S CB -0.199 62.558 63.200 -0.739 0.000 0.844 112 S HN 0.516 nan 8.310 nan 0.000 0.459 113 S N 1.815 117.555 115.700 0.067 0.000 2.368 113 S HA -0.170 4.305 4.470 0.008 0.000 0.225 113 S C 1.933 176.615 174.600 0.136 0.000 1.030 113 S CA 1.453 59.716 58.200 0.105 0.000 0.999 113 S CB -0.337 62.905 63.200 0.070 0.000 0.844 113 S HN 0.820 nan 8.310 nan 0.000 0.459 114 E N 0.606 120.889 120.200 0.138 0.000 2.442 114 E HA 0.071 4.425 4.350 0.008 0.000 0.195 114 E C 1.613 178.292 176.600 0.130 0.000 1.030 114 E CA 0.357 56.826 56.400 0.116 0.000 0.869 114 E CB -0.206 29.538 29.700 0.074 0.000 0.857 114 E HN 0.272 nan 8.360 nan 0.000 0.505 115 V N 1.823 121.845 119.914 0.180 0.000 2.358 115 V HA -0.218 3.907 4.120 0.008 0.000 0.246 115 V C 2.247 178.433 176.094 0.152 0.000 1.047 115 V CA 2.265 64.673 62.300 0.180 0.000 1.035 115 V CB -0.579 31.413 31.823 0.281 0.000 0.658 115 V HN 0.386 nan 8.190 nan 0.000 0.452 116 T N 0.484 115.150 114.554 0.187 0.000 2.788 116 T HA -0.129 4.225 4.350 0.008 0.000 0.268 116 T C 2.076 176.855 174.700 0.132 0.000 1.044 116 T CA 1.443 63.629 62.100 0.143 0.000 1.139 116 T CB -0.416 68.556 68.868 0.173 0.000 0.867 116 T HN 0.549 nan 8.240 nan 0.000 0.454 117 A N 1.707 124.620 122.820 0.155 0.000 1.883 117 A HA 0.101 4.425 4.320 0.008 0.000 0.217 117 A C 2.682 180.375 177.584 0.182 0.000 1.186 117 A CA 1.939 54.089 52.037 0.188 0.000 0.624 117 A CB -1.223 17.881 19.000 0.173 0.000 0.822 117 A HN 0.517 nan 8.150 nan 0.000 0.444 118 A N -0.382 122.524 122.820 0.143 0.000 1.902 118 A HA -0.017 4.308 4.320 0.008 0.000 0.217 118 A C 2.174 179.823 177.584 0.108 0.000 1.181 118 A CA 1.486 53.603 52.037 0.133 0.000 0.623 118 A CB -0.632 18.419 19.000 0.086 0.000 0.818 118 A HN 0.474 nan 8.150 nan 0.000 0.443 119 L N -1.230 120.040 121.223 0.078 0.000 2.083 119 L HA -0.146 4.198 4.340 0.008 0.000 0.209 119 L C 2.738 179.636 176.870 0.047 0.000 1.083 119 L CA 1.627 56.497 54.840 0.049 0.000 0.752 119 L CB -0.421 41.650 42.059 0.020 0.000 0.899 119 L HN 0.434 nan 8.230 nan 0.000 0.433 120 R N 0.426 120.952 120.500 0.045 0.000 2.148 120 R HA -0.113 4.232 4.340 0.008 0.000 0.227 120 R C 1.777 178.088 176.300 0.018 0.000 1.103 120 R CA 1.373 57.465 56.100 -0.013 0.000 0.983 120 R CB 0.046 30.298 30.300 -0.079 0.000 0.874 120 R HN 0.398 nan 8.270 nan 0.000 0.451 121 V N -1.784 118.177 119.914 0.079 0.000 3.596 121 V HA 0.208 4.332 4.120 0.008 0.000 0.289 121 V C 0.422 176.556 176.094 0.065 0.000 1.336 121 V CA 0.189 62.552 62.300 0.105 0.000 1.137 121 V CB -0.293 31.604 31.823 0.123 0.000 0.966 121 V HN 0.267 nan 8.190 nan 0.000 0.428 122 T N -3.397 111.199 114.554 0.070 0.000 2.949 122 T HA 0.599 4.954 4.350 0.008 0.000 0.287 122 T C 0.015 174.745 174.700 0.050 0.000 1.034 122 T CA -0.181 61.949 62.100 0.050 0.000 1.018 122 T CB 2.394 71.292 68.868 0.050 0.000 1.135 122 T HN 0.158 nan 8.240 nan 0.000 0.532 123 D N -0.238 120.186 120.400 0.039 0.000 2.473 123 D HA 0.268 4.913 4.640 0.008 0.000 0.242 123 D C 0.853 177.188 176.300 0.060 0.000 1.106 123 D CA 0.184 54.215 54.000 0.052 0.000 0.854 123 D CB 0.780 41.596 40.800 0.027 0.000 1.192 123 D HN 0.823 nan 8.370 nan 0.000 0.503 124 G N -0.143 108.679 108.800 0.037 0.000 2.658 124 G HA2 0.690 4.655 3.960 0.008 0.000 0.292 124 G HA3 0.690 4.655 3.960 0.008 0.000 0.292 124 G C -1.535 173.370 174.900 0.008 0.000 1.320 124 G CA -0.583 44.532 45.100 0.025 0.000 0.933 124 G HN 0.126 nan 8.290 nan 0.000 0.476 125 A N -0.064 122.750 122.820 -0.010 0.000 2.459 125 A HA 0.597 4.922 4.320 0.008 0.000 0.296 125 A C -1.482 176.076 177.584 -0.044 0.000 1.039 125 A CA -0.564 51.459 52.037 -0.023 0.000 0.698 125 A CB 1.828 20.813 19.000 -0.026 0.000 1.261 125 A HN 1.291 nan 8.150 nan 0.000 0.405 126 L N 3.826 125.022 121.223 -0.045 0.000 2.282 126 L HA 0.520 4.865 4.340 0.008 0.000 0.287 126 L C -0.706 176.122 176.870 -0.071 0.000 1.075 126 L CA -0.074 54.726 54.840 -0.066 0.000 0.839 126 L CB 0.657 42.681 42.059 -0.058 0.000 1.219 126 L HN 0.403 nan 8.230 nan 0.000 0.434 127 V N 6.208 126.067 119.914 -0.093 0.000 2.408 127 V HA 0.290 4.415 4.120 0.008 0.000 0.267 127 V C 0.208 176.236 176.094 -0.111 0.000 1.047 127 V CA -0.594 61.652 62.300 -0.090 0.000 0.937 127 V CB 1.197 32.961 31.823 -0.099 0.000 0.999 127 V HN 0.460 nan 8.190 nan 0.000 0.472 128 V N 6.230 126.094 119.914 -0.083 0.000 2.465 128 V HA 0.509 4.633 4.120 0.008 0.000 0.279 128 V C 0.042 176.056 176.094 -0.134 0.000 1.045 128 V CA -0.342 61.897 62.300 -0.101 0.000 0.938 128 V CB 1.602 33.395 31.823 -0.050 0.000 0.986 128 V HN 0.603 nan 8.190 nan 0.000 0.467 129 V N 3.060 122.859 119.914 -0.193 0.000 2.789 129 V HA 0.386 4.511 4.120 0.008 0.000 0.311 129 V C -0.559 175.360 176.094 -0.292 0.000 1.073 129 V CA -0.781 61.365 62.300 -0.255 0.000 0.921 129 V CB 2.327 34.047 31.823 -0.172 0.000 1.009 129 V HN 0.946 nan 8.190 nan 0.000 0.426 130 D N 1.993 122.118 120.400 -0.459 0.000 2.345 130 D HA 0.246 4.891 4.640 0.008 0.000 0.247 130 D C 1.182 177.449 176.300 -0.056 0.000 1.108 130 D CA 0.358 54.190 54.000 -0.280 0.000 0.894 130 D CB 1.876 42.492 40.800 -0.307 0.000 1.203 130 D HN 0.588 nan 8.370 nan 0.000 0.430 131 T N 2.851 117.437 114.554 0.054 0.000 2.643 131 T HA -0.109 4.246 4.350 0.008 0.000 0.264 131 T C 1.894 176.632 174.700 0.065 0.000 1.045 131 T CA 1.095 63.283 62.100 0.146 0.000 1.155 131 T CB -0.210 68.781 68.868 0.206 0.000 0.863 131 T HN 0.426 nan 8.240 nan 0.000 0.420 132 I N 0.642 121.241 120.570 0.049 0.000 2.235 132 I HA -0.058 4.117 4.170 0.008 0.000 0.241 132 I C 2.474 178.607 176.117 0.027 0.000 1.085 132 I CA 1.262 62.581 61.300 0.032 0.000 1.378 132 I CB -0.348 37.677 38.000 0.042 0.000 1.076 132 I HN 0.263 nan 8.210 nan 0.000 0.415 133 E N 0.891 121.112 120.200 0.035 0.000 2.427 133 E HA 0.072 4.426 4.350 0.008 0.000 0.196 133 E C 1.320 177.926 176.600 0.010 0.000 1.028 133 E CA 0.474 56.897 56.400 0.038 0.000 0.864 133 E CB -0.001 29.754 29.700 0.092 0.000 0.813 133 E HN 0.578 nan 8.360 nan 0.000 0.514 134 G N 1.011 109.801 108.800 -0.016 0.000 2.550 134 G HA2 -0.338 3.627 3.960 0.008 0.000 0.277 134 G HA3 -0.338 3.627 3.960 0.008 0.000 0.277 134 G C 0.006 174.865 174.900 -0.068 0.000 1.190 134 G CA -0.109 44.973 45.100 -0.030 0.000 0.971 134 G HN 0.143 nan 8.290 nan 0.000 0.559 135 V N 1.799 121.689 119.914 -0.039 0.000 2.385 135 V HA 0.424 4.549 4.120 0.008 0.000 0.269 135 V C 1.498 177.595 176.094 0.005 0.000 1.043 135 V CA -0.231 62.048 62.300 -0.034 0.000 0.906 135 V CB -0.063 31.741 31.823 -0.031 0.000 0.995 135 V HN 1.311 nan 8.190 nan 0.000 0.467 136 C N 4.527 123.853 119.300 0.043 0.000 2.563 136 C HA 0.477 4.942 4.460 0.008 0.000 0.358 136 C C 1.883 176.899 174.990 0.043 0.000 1.336 136 C CA -0.473 58.580 59.018 0.058 0.000 2.454 136 C CB 0.359 28.153 27.740 0.091 0.000 2.448 136 C HN 0.619 nan 8.230 nan 0.000 0.670 137 V N 1.386 121.321 119.914 0.035 0.000 2.343 137 V HA -0.218 3.906 4.120 0.008 0.000 0.247 137 V C 2.829 178.941 176.094 0.031 0.000 1.051 137 V CA 2.429 64.745 62.300 0.027 0.000 1.036 137 V CB -1.247 30.590 31.823 0.023 0.000 0.654 137 V HN 1.030 nan 8.190 nan 0.000 0.451 138 Q N 0.183 120.018 119.800 0.059 0.000 1.975 138 Q HA -0.251 4.093 4.340 0.008 0.000 0.205 138 Q C 2.282 178.306 176.000 0.039 0.000 0.990 138 Q CA 2.723 58.557 55.803 0.051 0.000 0.845 138 Q CB -0.453 28.336 28.738 0.086 0.000 0.913 138 Q HN 0.605 nan 8.270 nan 0.000 0.420 139 T N 1.226 115.822 114.554 0.071 0.000 2.737 139 T HA -0.226 4.128 4.350 0.008 0.000 0.269 139 T C 1.603 176.292 174.700 -0.017 0.000 1.040 139 T CA 1.738 63.861 62.100 0.037 0.000 1.142 139 T CB -0.278 68.626 68.868 0.061 0.000 0.861 139 T HN 0.489 nan 8.240 nan 0.000 0.456 140 E N 0.321 120.510 120.200 -0.018 0.000 2.051 140 E HA -0.154 4.200 4.350 0.008 0.000 0.192 140 E C 2.156 178.692 176.600 -0.106 0.000 0.991 140 E CA 1.479 57.849 56.400 -0.051 0.000 0.799 140 E CB -0.110 29.573 29.700 -0.028 0.000 0.748 140 E HN 0.379 nan 8.360 nan 0.000 0.449 141 T N 0.377 114.878 114.554 -0.088 0.000 2.746 141 T HA -0.113 4.241 4.350 0.008 0.000 0.267 141 T C 1.906 176.467 174.700 -0.233 0.000 1.039 141 T CA 1.278 63.295 62.100 -0.138 0.000 1.142 141 T CB -0.136 68.721 68.868 -0.017 0.000 0.866 141 T HN 0.029 nan 8.240 nan 0.000 0.444 142 V N 1.591 121.411 119.914 -0.156 0.000 2.307 142 V HA -0.097 4.027 4.120 0.008 0.000 0.245 142 V C 2.404 178.386 176.094 -0.188 0.000 1.045 142 V CA 1.262 63.451 62.300 -0.184 0.000 1.024 142 V CB -0.701 31.081 31.823 -0.067 0.000 0.651 142 V HN 0.331 nan 8.190 nan 0.000 0.449 143 L N 0.484 121.623 121.223 -0.139 0.000 2.079 143 L HA -0.189 4.155 4.340 0.008 0.000 0.210 143 L C 2.529 179.300 176.870 -0.165 0.000 1.081 143 L CA 2.076 56.842 54.840 -0.124 0.000 0.752 143 L CB -0.786 41.216 42.059 -0.095 0.000 0.896 143 L HN 0.213 nan 8.230 nan 0.000 0.433 144 R N -1.272 119.077 120.500 -0.251 0.000 2.091 144 R HA -0.176 4.169 4.340 0.008 0.000 0.238 144 R C 2.191 178.310 176.300 -0.302 0.000 1.136 144 R CA 1.608 57.484 56.100 -0.373 0.000 0.959 144 R CB -0.081 29.861 30.300 -0.596 0.000 0.856 144 R HN 0.493 nan 8.270 nan 0.000 0.437 145 Q N -0.246 119.353 119.800 -0.335 0.000 2.083 145 Q HA -0.041 4.303 4.340 0.008 0.000 0.198 145 Q C 2.081 177.973 176.000 -0.179 0.000 0.969 145 Q CA 1.472 57.086 55.803 -0.316 0.000 0.838 145 Q CB -0.291 28.136 28.738 -0.518 0.000 0.900 145 Q HN 0.402 nan 8.270 nan 0.000 0.436 146 A N 1.015 123.746 122.820 -0.148 0.000 1.940 146 A HA -0.141 4.184 4.320 0.008 0.000 0.219 146 A C 2.240 179.793 177.584 -0.052 0.000 1.176 146 A CA 1.139 53.129 52.037 -0.080 0.000 0.631 146 A CB -0.708 18.253 19.000 -0.067 0.000 0.814 146 A HN 0.307 nan 8.150 nan 0.000 0.446 147 L N -0.903 120.283 121.223 -0.061 0.000 2.156 147 L HA -0.070 4.275 4.340 0.008 0.000 0.208 147 L C 2.739 179.600 176.870 -0.015 0.000 1.095 147 L CA 0.872 55.695 54.840 -0.027 0.000 0.770 147 L CB -0.650 41.406 42.059 -0.005 0.000 0.914 147 L HN 0.486 nan 8.230 nan 0.000 0.439 148 G N -0.826 107.952 108.800 -0.036 0.000 2.470 148 G HA2 -0.177 3.788 3.960 0.008 0.000 0.220 148 G HA3 -0.177 3.788 3.960 0.008 0.000 0.220 148 G C 1.338 176.229 174.900 -0.015 0.000 1.121 148 G CA 0.269 45.355 45.100 -0.024 0.000 0.766 148 G HN 0.259 nan 8.290 nan 0.000 0.553 149 E N 0.246 120.436 120.200 -0.016 0.000 2.465 149 E HA 0.088 4.442 4.350 0.008 0.000 0.191 149 E C 0.396 177.022 176.600 0.044 0.000 1.053 149 E CA -0.301 56.101 56.400 0.004 0.000 0.869 149 E CB 0.083 29.781 29.700 -0.005 0.000 0.977 149 E HN 0.378 nan 8.360 nan 0.000 0.483 150 R N 0.400 120.926 120.500 0.044 0.000 3.267 150 R HA -0.163 4.181 4.340 0.008 0.000 0.254 150 R C -0.342 176.038 176.300 0.134 0.000 0.993 150 R CA 0.430 56.578 56.100 0.081 0.000 0.670 150 R CB -2.272 28.131 30.300 0.171 0.000 1.125 150 R HN 0.174 nan 8.270 nan 0.000 0.434 151 I N 0.783 121.391 120.570 0.064 0.000 2.377 151 I HA 0.214 4.388 4.170 0.008 0.000 0.293 151 I C 0.644 176.779 176.117 0.030 0.000 0.987 151 I CA -0.740 60.599 61.300 0.065 0.000 1.185 151 I CB 1.760 39.779 38.000 0.032 0.000 1.341 151 I HN 0.048 nan 8.210 nan 0.000 0.455 152 K N 7.876 128.303 120.400 0.046 0.000 2.276 152 K HA 0.402 4.727 4.320 0.008 0.000 0.283 152 K C -2.565 174.025 176.600 -0.016 0.000 1.044 152 K CA -1.305 54.988 56.287 0.010 0.000 0.944 152 K CB 0.968 33.490 32.500 0.036 0.000 1.012 152 K HN 0.184 nan 8.250 nan 0.000 0.472 153 P HA 0.182 nan 4.420 nan 0.000 0.293 153 P C -1.455 175.782 177.300 -0.105 0.000 1.291 153 P CA -0.767 62.287 63.100 -0.076 0.000 0.867 153 P CB 1.498 33.142 31.700 -0.094 0.000 1.074 154 V N 0.142 119.986 119.914 -0.117 0.000 2.638 154 V HA 0.600 4.724 4.120 0.008 0.000 0.306 154 V C -0.492 175.489 176.094 -0.188 0.000 1.052 154 V CA -0.954 61.248 62.300 -0.164 0.000 0.885 154 V CB 1.758 33.501 31.823 -0.134 0.000 0.999 154 V HN 0.181 nan 8.190 nan 0.000 0.424 155 V N 4.557 124.319 119.914 -0.252 0.000 2.532 155 V HA 0.676 4.800 4.120 0.008 0.000 0.295 155 V C -0.074 175.812 176.094 -0.346 0.000 1.041 155 V CA -0.465 61.669 62.300 -0.276 0.000 0.926 155 V CB 1.832 33.475 31.823 -0.299 0.000 0.992 155 V HN 0.929 nan 8.190 nan 0.000 0.457 156 V N 6.530 126.257 119.914 -0.311 0.000 2.525 156 V HA 0.540 4.664 4.120 0.008 0.000 0.299 156 V C -0.454 175.444 176.094 -0.327 0.000 1.034 156 V CA -0.414 61.668 62.300 -0.363 0.000 0.863 156 V CB 1.620 33.285 31.823 -0.263 0.000 0.999 156 V HN 0.744 nan 8.190 nan 0.000 0.423 157 I N 6.721 127.043 120.570 -0.413 0.000 2.322 157 I HA 0.339 4.514 4.170 0.008 0.000 0.292 157 I C 0.333 176.372 176.117 -0.130 0.000 1.060 157 I CA 0.037 61.204 61.300 -0.222 0.000 1.309 157 I CB 0.790 38.711 38.000 -0.131 0.000 1.415 157 I HN 0.631 nan 8.210 nan 0.000 0.492 158 N N 5.259 123.897 118.700 -0.103 0.000 2.478 158 N HA 0.291 5.036 4.740 0.008 0.000 0.275 158 N C -0.225 175.280 175.510 -0.009 0.000 1.221 158 N CA -0.437 52.561 53.050 -0.087 0.000 0.979 158 N CB 0.783 39.221 38.487 -0.082 0.000 1.202 158 N HN 0.361 nan 8.380 nan 0.000 0.564 159 K N -0.519 119.874 120.400 -0.011 0.000 3.096 159 K HA -0.133 4.192 4.320 0.008 0.000 0.266 159 K C 0.552 177.225 176.600 0.123 0.000 1.043 159 K CA 0.201 56.525 56.287 0.062 0.000 0.758 159 K CB -1.939 30.613 32.500 0.087 0.000 1.260 159 K HN 0.251 nan 8.250 nan 0.000 0.481 160 V N 0.982 120.976 119.914 0.133 0.000 2.515 160 V HA -0.285 3.839 4.120 0.008 0.000 0.250 160 V C 2.550 178.802 176.094 0.264 0.000 1.058 160 V CA 2.291 64.751 62.300 0.267 0.000 1.064 160 V CB -0.377 31.685 31.823 0.398 0.000 0.675 160 V HN 0.587 nan 8.190 nan 0.000 0.461 161 D N 1.150 121.753 120.400 0.337 0.000 2.149 161 D HA -0.337 4.308 4.640 0.008 0.000 0.194 161 D C 2.128 178.590 176.300 0.270 0.000 1.001 161 D CA 1.936 56.195 54.000 0.430 0.000 0.849 161 D CB -0.505 40.672 40.800 0.627 0.000 0.939 161 D HN 0.448 nan 8.370 nan 0.000 0.449 162 R N 1.026 121.652 120.500 0.209 0.000 2.096 162 R HA -0.070 4.274 4.340 0.008 0.000 0.235 162 R C 2.400 178.763 176.300 0.104 0.000 1.127 162 R CA 1.444 57.634 56.100 0.150 0.000 0.968 162 R CB -0.292 30.082 30.300 0.124 0.000 0.861 162 R HN 0.247 nan 8.270 nan 0.000 0.440 163 A N 0.705 123.578 122.820 0.089 0.000 1.969 163 A HA -0.066 4.259 4.320 0.008 0.000 0.218 163 A C 2.055 179.639 177.584 0.000 0.000 1.169 163 A CA 0.996 53.059 52.037 0.044 0.000 0.635 163 A CB -0.209 18.814 19.000 0.038 0.000 0.810 163 A HN 0.323 nan 8.150 nan 0.000 0.445 164 L N -1.278 119.915 121.223 -0.050 0.000 2.145 164 L HA 0.042 4.387 4.340 0.008 0.000 0.201 164 L C 2.451 179.309 176.870 -0.020 0.000 1.075 164 L CA 0.535 55.269 54.840 -0.177 0.000 0.773 164 L CB -0.622 41.106 42.059 -0.551 0.000 0.936 164 L HN 0.297 nan 8.230 nan 0.000 0.451 165 L N -0.270 121.008 121.223 0.092 0.000 2.072 165 L HA -0.133 4.212 4.340 0.008 0.000 0.205 165 L C 2.536 179.462 176.870 0.093 0.000 1.079 165 L CA 1.317 56.237 54.840 0.133 0.000 0.752 165 L CB -0.304 41.873 42.059 0.196 0.000 0.906 165 L HN 0.334 nan 8.230 nan 0.000 0.436 166 E N 0.475 120.727 120.200 0.088 0.000 2.057 166 E HA -0.067 4.287 4.350 0.008 0.000 0.191 166 E C 2.340 178.973 176.600 0.055 0.000 0.959 166 E CA 0.282 56.725 56.400 0.072 0.000 0.828 166 E CB 0.110 29.855 29.700 0.075 0.000 0.800 166 E HN 0.311 nan 8.360 nan 0.000 0.460 167 L N 0.506 121.759 121.223 0.050 0.000 2.217 167 L HA -0.045 4.299 4.340 0.008 0.000 0.211 167 L C 0.580 177.474 176.870 0.040 0.000 1.107 167 L CA 0.736 55.600 54.840 0.041 0.000 0.783 167 L CB -0.364 41.717 42.059 0.036 0.000 0.919 167 L HN 0.340 nan 8.230 nan 0.000 0.442 168 Q N 0.283 120.103 119.800 0.034 0.000 2.452 168 Q HA -0.164 4.181 4.340 0.008 0.000 0.318 168 Q C -0.104 175.934 176.000 0.063 0.000 1.386 168 Q CA 0.240 56.065 55.803 0.036 0.000 0.872 168 Q CB -1.871 26.894 28.738 0.045 0.000 1.151 168 Q HN 0.488 nan 8.270 nan 0.000 0.417 169 V N -1.885 118.072 119.914 0.071 0.000 3.133 169 V HA 0.567 4.692 4.120 0.008 0.000 0.305 169 V C 0.964 177.178 176.094 0.200 0.000 1.084 169 V CA -0.074 62.287 62.300 0.101 0.000 1.089 169 V CB 1.746 33.614 31.823 0.074 0.000 1.073 169 V HN 0.411 nan 8.190 nan 0.000 0.477 170 S N 1.254 117.036 115.700 0.137 0.000 2.652 170 S HA 0.386 4.860 4.470 0.008 0.000 0.270 170 S C 0.720 175.341 174.600 0.036 0.000 1.243 170 S CA -0.310 57.950 58.200 0.100 0.000 0.999 170 S CB 1.056 64.266 63.200 0.015 0.000 0.973 170 S HN 0.761 nan 8.310 nan 0.000 0.544 171 K N 0.470 120.709 120.400 -0.269 0.000 2.032 171 K HA -0.176 4.149 4.320 0.008 0.000 0.209 171 K C 2.106 178.659 176.600 -0.078 0.000 1.048 171 K CA 1.846 57.884 56.287 -0.415 0.000 0.927 171 K CB -0.307 31.794 32.500 -0.665 0.000 0.712 171 K HN 0.766 nan 8.250 nan 0.000 0.441 172 E N 1.443 121.605 120.200 -0.064 0.000 2.110 172 E HA -0.185 4.169 4.350 0.008 0.000 0.193 172 E C 1.393 178.036 176.600 0.072 0.000 0.988 172 E CA 1.586 57.996 56.400 0.016 0.000 0.804 172 E CB -0.088 29.604 29.700 -0.014 0.000 0.745 172 E HN 0.167 nan 8.360 nan 0.000 0.458 173 D N -0.194 120.226 120.400 0.034 0.000 2.117 173 D HA -0.147 4.498 4.640 0.008 0.000 0.197 173 D C 1.908 178.196 176.300 -0.019 0.000 0.987 173 D CA 0.829 54.841 54.000 0.020 0.000 0.829 173 D CB -0.320 40.492 40.800 0.021 0.000 0.961 173 D HN 0.213 nan 8.370 nan 0.000 0.460 174 L N 0.023 121.244 121.223 -0.005 0.000 2.046 174 L HA -0.174 4.171 4.340 0.008 0.000 0.208 174 L C 2.249 178.936 176.870 -0.305 0.000 1.077 174 L CA 1.454 56.194 54.840 -0.167 0.000 0.747 174 L CB -0.776 41.316 42.059 0.054 0.000 0.896 174 L HN 0.047 nan 8.230 nan 0.000 0.432 175 Y N -0.244 120.014 120.300 -0.070 0.000 2.114 175 Y HA -0.278 4.276 4.550 0.006 0.000 0.284 175 Y C 2.514 178.374 175.900 -0.067 0.000 1.143 175 Y CA 1.981 60.082 58.100 0.002 0.000 1.135 175 Y CB -0.252 38.189 38.460 -0.031 0.000 0.980 175 Y HN 0.262 nan 8.280 nan 0.000 0.499 176 Q N -0.317 119.444 119.800 -0.065 0.000 2.170 176 Q HA -0.147 4.197 4.340 0.008 0.000 0.203 176 Q C 2.178 178.100 176.000 -0.129 0.000 0.976 176 Q CA 1.964 57.694 55.803 -0.121 0.000 0.858 176 Q CB -0.757 27.987 28.738 0.009 0.000 0.907 176 Q HN 0.535 nan 8.270 nan 0.000 0.433 177 T N 0.867 115.328 114.554 -0.155 0.000 2.737 177 T HA -0.074 4.280 4.350 0.008 0.000 0.265 177 T C 1.510 176.187 174.700 -0.037 0.000 1.038 177 T CA 0.898 62.916 62.100 -0.137 0.000 1.144 177 T CB -0.265 68.470 68.868 -0.222 0.000 0.866 177 T HN 0.120 nan 8.240 nan 0.000 0.434 178 F N 2.001 121.982 119.950 0.052 0.000 2.126 178 F HA 0.032 4.565 4.527 0.010 0.000 0.299 178 F C 2.670 178.527 175.800 0.095 0.000 1.096 178 F CA 0.233 58.322 58.000 0.148 0.000 1.255 178 F CB -1.415 37.772 39.000 0.311 0.000 0.997 178 F HN 0.145 nan 8.300 nan 0.000 0.479 179 A N 0.381 123.272 122.820 0.118 0.000 1.865 179 A HA -0.213 4.112 4.320 0.008 0.000 0.217 179 A C 2.403 180.028 177.584 0.067 0.000 1.191 179 A CA 1.783 53.856 52.037 0.060 0.000 0.623 179 A CB -0.737 18.130 19.000 -0.222 0.000 0.826 179 A HN 0.316 nan 8.150 nan 0.000 0.444 180 R N -1.057 119.460 120.500 0.027 0.000 2.096 180 R HA -0.089 4.255 4.340 0.008 0.000 0.235 180 R C 2.313 178.633 176.300 0.034 0.000 1.127 180 R CA 1.758 57.873 56.100 0.025 0.000 0.968 180 R CB -0.817 29.490 30.300 0.010 0.000 0.861 180 R HN 0.549 nan 8.270 nan 0.000 0.440 181 T N 0.871 115.461 114.554 0.059 0.000 2.643 181 T HA -0.117 4.238 4.350 0.008 0.000 0.264 181 T C 2.027 176.730 174.700 0.007 0.000 1.045 181 T CA 1.517 63.644 62.100 0.046 0.000 1.155 181 T CB -0.251 68.678 68.868 0.102 0.000 0.863 181 T HN -0.009 nan 8.240 nan 0.000 0.420 182 V N 1.560 121.486 119.914 0.019 0.000 2.380 182 V HA -0.192 3.932 4.120 0.008 0.000 0.251 182 V C 2.590 178.647 176.094 -0.061 0.000 1.063 182 V CA 2.033 64.297 62.300 -0.060 0.000 1.055 182 V CB -0.660 31.127 31.823 -0.061 0.000 0.657 182 V HN 0.434 nan 8.190 nan 0.000 0.455 183 E N 0.648 120.843 120.200 -0.007 0.000 2.051 183 E HA -0.168 4.186 4.350 0.008 0.000 0.192 183 E C 2.346 178.934 176.600 -0.021 0.000 0.991 183 E CA 1.913 58.310 56.400 -0.006 0.000 0.799 183 E CB -0.481 29.232 29.700 0.022 0.000 0.748 183 E HN 0.538 nan 8.360 nan 0.000 0.449 184 S N -0.503 115.188 115.700 -0.014 0.000 2.370 184 S HA -0.156 4.319 4.470 0.008 0.000 0.226 184 S C 2.050 176.633 174.600 -0.028 0.000 1.033 184 S CA 1.273 59.466 58.200 -0.013 0.000 1.011 184 S CB -0.415 62.780 63.200 -0.008 0.000 0.852 184 S HN 0.183 nan 8.310 nan 0.000 0.457 185 V N 2.901 122.782 119.914 -0.055 0.000 2.343 185 V HA -0.169 3.956 4.120 0.008 0.000 0.247 185 V C 2.022 178.067 176.094 -0.082 0.000 1.051 185 V CA 1.610 63.863 62.300 -0.077 0.000 1.036 185 V CB -0.731 31.020 31.823 -0.119 0.000 0.654 185 V HN 0.437 nan 8.190 nan 0.000 0.451 186 N N -0.081 118.557 118.700 -0.104 0.000 2.396 186 N HA -0.060 4.685 4.740 0.008 0.000 0.180 186 N C 1.681 177.155 175.510 -0.059 0.000 1.028 186 N CA 0.832 53.813 53.050 -0.115 0.000 0.893 186 N CB -0.155 38.232 38.487 -0.167 0.000 0.967 186 N HN 0.360 nan 8.380 nan 0.000 0.440 187 V N 1.381 121.276 119.914 -0.032 0.000 2.427 187 V HA -0.133 3.991 4.120 0.008 0.000 0.248 187 V C 2.089 178.194 176.094 0.019 0.000 1.051 187 V CA 1.129 63.424 62.300 -0.008 0.000 1.048 187 V CB -0.282 31.543 31.823 0.004 0.000 0.666 187 V HN 0.229 nan 8.190 nan 0.000 0.456 188 I N -0.905 119.690 120.570 0.042 0.000 2.406 188 I HA -0.122 4.052 4.170 0.008 0.000 0.249 188 I C 2.312 178.507 176.117 0.130 0.000 1.122 188 I CA 0.762 62.141 61.300 0.131 0.000 1.431 188 I CB -0.355 37.689 38.000 0.072 0.000 1.087 188 I HN 0.118 nan 8.210 nan 0.000 0.424 189 V N 1.080 121.008 119.914 0.023 0.000 2.270 189 V HA -0.261 3.863 4.120 0.008 0.000 0.245 189 V C 2.678 178.763 176.094 -0.015 0.000 1.043 189 V CA 2.347 64.643 62.300 -0.008 0.000 1.014 189 V CB -0.803 30.976 31.823 -0.073 0.000 0.645 189 V HN 0.588 nan 8.190 nan 0.000 0.447 190 S N -0.845 114.832 115.700 -0.039 0.000 2.442 190 S HA -0.191 4.284 4.470 0.008 0.000 0.236 190 S C 1.781 176.332 174.600 -0.083 0.000 1.007 190 S CA 1.823 59.992 58.200 -0.052 0.000 0.965 190 S CB -0.565 62.609 63.200 -0.044 0.000 0.773 190 S HN 0.599 nan 8.310 nan 0.000 0.504 191 T N 0.242 114.729 114.554 -0.113 0.000 2.939 191 T HA 0.173 4.528 4.350 0.008 0.000 0.254 191 T C 0.832 175.278 174.700 -0.423 0.000 1.041 191 T CA 0.919 62.839 62.100 -0.301 0.000 1.142 191 T CB -0.259 68.351 68.868 -0.431 0.000 0.874 191 T HN 0.599 nan 8.240 nan 0.000 0.452 192 Y N 0.729 121.002 120.300 -0.045 0.000 2.430 192 Y HA 0.610 5.163 4.550 0.006 0.000 0.248 192 Y C 1.209 177.074 175.900 -0.058 0.000 1.108 192 Y CA -1.073 56.997 58.100 -0.050 0.000 1.264 192 Y CB 0.128 38.556 38.460 -0.053 0.000 1.172 192 Y HN 0.068 nan 8.280 nan 0.000 0.520 193 A N 0.777 123.628 122.820 0.052 0.000 2.477 193 A HA 0.095 4.420 4.320 0.008 0.000 0.246 193 A C -0.372 177.194 177.584 -0.030 0.000 1.078 193 A CA -0.277 51.758 52.037 -0.003 0.000 0.770 193 A CB -0.155 18.826 19.000 -0.032 0.000 1.011 193 A HN 0.222 nan 8.150 nan 0.000 0.494 194 D N 1.221 121.595 120.400 -0.043 0.000 2.424 194 D HA 0.071 4.715 4.640 0.008 0.000 0.244 194 D C 1.582 177.838 176.300 -0.074 0.000 1.134 194 D CA 0.205 54.173 54.000 -0.053 0.000 0.881 194 D CB 0.770 41.538 40.800 -0.053 0.000 1.191 194 D HN 0.610 nan 8.370 nan 0.000 0.445 195 E N 2.620 122.783 120.200 -0.061 0.000 2.401 195 E HA -0.119 4.236 4.350 0.008 0.000 0.199 195 E C 1.032 177.590 176.600 -0.069 0.000 1.023 195 E CA 0.596 56.961 56.400 -0.060 0.000 0.859 195 E CB -0.259 29.413 29.700 -0.047 0.000 0.780 195 E HN 0.289 nan 8.360 nan 0.000 0.523 196 V N 1.193 121.058 119.914 -0.082 0.000 3.620 196 V HA 0.043 4.168 4.120 0.008 0.000 0.286 196 V C 1.742 177.732 176.094 -0.174 0.000 1.288 196 V CA 0.519 62.765 62.300 -0.090 0.000 1.178 196 V CB -0.761 31.028 31.823 -0.056 0.000 0.986 196 V HN 0.218 nan 8.190 nan 0.000 0.431 197 L N -0.139 120.965 121.223 -0.198 0.000 2.920 197 L HA 0.557 4.902 4.340 0.008 0.000 0.257 197 L C 1.266 178.040 176.870 -0.159 0.000 1.150 197 L CA 0.445 55.114 54.840 -0.285 0.000 0.959 197 L CB 0.223 42.069 42.059 -0.355 0.000 1.321 197 L HN 0.491 nan 8.230 nan 0.000 0.555 198 G N 1.301 110.041 108.800 -0.101 0.000 2.804 198 G HA2 -0.307 3.657 3.960 0.008 0.000 0.230 198 G HA3 -0.307 3.657 3.960 0.008 0.000 0.230 198 G C -0.387 174.487 174.900 -0.043 0.000 1.386 198 G CA -0.235 44.831 45.100 -0.057 0.000 0.875 198 G HN 0.273 nan 8.290 nan 0.000 0.557 199 D N -0.693 119.700 120.400 -0.011 0.000 2.402 199 D HA 0.230 4.875 4.640 0.008 0.000 0.268 199 D C 1.006 177.314 176.300 0.014 0.000 1.294 199 D CA 0.896 54.907 54.000 0.018 0.000 0.945 199 D CB 1.018 41.858 40.800 0.066 0.000 1.112 199 D HN 0.846 nan 8.370 nan 0.000 0.517 200 V N 4.347 124.248 119.914 -0.022 0.000 3.427 200 V HA 0.096 4.221 4.120 0.008 0.000 0.305 200 V C 0.680 176.720 176.094 -0.090 0.000 1.412 200 V CA -0.049 62.224 62.300 -0.045 0.000 1.086 200 V CB -0.294 31.489 31.823 -0.067 0.000 0.964 200 V HN 0.539 nan 8.190 nan 0.000 0.439 201 Q N 0.791 120.522 119.800 -0.115 0.000 2.428 201 Q HA 0.206 4.550 4.340 0.008 0.000 0.276 201 Q C -0.100 175.617 176.000 -0.472 0.000 1.059 201 Q CA 0.406 56.029 55.803 -0.299 0.000 0.923 201 Q CB 1.358 29.872 28.738 -0.373 0.000 1.283 201 Q HN 0.500 nan 8.270 nan 0.000 0.447 202 V N -0.173 119.405 119.914 -0.560 0.000 2.481 202 V HA 0.464 4.589 4.120 0.008 0.000 0.286 202 V C -1.126 174.515 176.094 -0.755 0.000 1.042 202 V CA -0.658 61.329 62.300 -0.521 0.000 0.928 202 V CB 0.389 31.982 31.823 -0.383 0.000 0.986 202 V HN 0.550 nan 8.190 nan 0.000 0.462 203 Y N 3.742 123.890 120.300 -0.253 0.000 2.346 203 Y HA 0.493 5.047 4.550 0.006 0.000 0.332 203 Y C -2.012 173.657 175.900 -0.385 0.000 0.985 203 Y CA -2.170 55.760 58.100 -0.284 0.000 1.112 203 Y CB 2.300 40.654 38.460 -0.176 0.000 1.170 203 Y HN 0.397 nan 8.280 nan 0.000 0.447 204 P HA -0.242 nan 4.420 nan 0.000 0.216 204 P C 1.272 178.428 177.300 -0.240 0.000 1.153 204 P CA 2.388 65.159 63.100 -0.549 0.000 0.858 204 P CB 0.275 31.155 31.700 -1.367 0.000 0.789 205 A N -0.519 122.185 122.820 -0.193 0.000 2.121 205 A HA -0.133 4.192 4.320 0.008 0.000 0.218 205 A C 1.950 179.553 177.584 0.032 0.000 1.154 205 A CA 1.154 53.212 52.037 0.034 0.000 0.679 205 A CB -0.823 18.240 19.000 0.105 0.000 0.795 205 A HN 0.163 nan 8.150 nan 0.000 0.458 206 R N -1.728 118.770 120.500 -0.003 0.000 2.362 206 R HA 0.272 4.617 4.340 0.008 0.000 0.227 206 R C 1.104 177.398 176.300 -0.009 0.000 0.905 206 R CA 0.465 56.578 56.100 0.021 0.000 1.067 206 R CB 0.220 30.540 30.300 0.033 0.000 1.078 206 R HN 0.583 nan 8.270 nan 0.000 0.516 207 G N 1.362 110.127 108.800 -0.058 0.000 2.143 207 G HA2 -0.310 3.655 3.960 0.008 0.000 0.249 207 G HA3 -0.310 3.655 3.960 0.008 0.000 0.249 207 G C 0.763 175.470 174.900 -0.322 0.000 0.981 207 G CA 0.806 45.874 45.100 -0.053 0.000 0.665 207 G HN 0.428 nan 8.290 nan 0.000 0.528 208 T N -2.503 111.768 114.554 -0.472 0.000 3.122 208 T HA 0.563 4.917 4.350 0.008 0.000 0.250 208 T C 0.393 174.851 174.700 -0.404 0.000 1.067 208 T CA 0.431 62.209 62.100 -0.537 0.000 0.966 208 T CB 1.078 69.645 68.868 -0.501 0.000 1.002 208 T HN 0.793 nan 8.240 nan 0.000 0.542 209 V N 1.129 120.795 119.914 -0.413 0.000 2.623 209 V HA 0.807 4.932 4.120 0.008 0.000 0.304 209 V C -0.269 175.404 176.094 -0.702 0.000 1.054 209 V CA -1.194 60.761 62.300 -0.575 0.000 0.882 209 V CB 1.450 32.867 31.823 -0.677 0.000 1.002 209 V HN 0.576 nan 8.190 nan 0.000 0.424 210 A N 4.391 126.732 122.820 -0.798 0.000 2.354 210 A HA 1.030 5.354 4.320 0.008 0.000 0.321 210 A C -1.294 175.580 177.584 -1.184 0.000 1.125 210 A CA -0.464 51.109 52.037 -0.772 0.000 0.799 210 A CB 1.300 20.065 19.000 -0.392 0.000 1.293 210 A HN 0.646 nan 8.150 nan 0.000 0.452 211 F N -0.287 119.226 119.950 -0.728 0.000 2.576 211 F HA 0.803 5.334 4.527 0.006 0.000 0.313 211 F C 0.731 176.208 175.800 -0.538 0.000 1.078 211 F CA 0.227 57.798 58.000 -0.714 0.000 0.921 211 F CB 2.689 41.121 39.000 -0.946 0.000 1.232 211 F HN 1.095 nan 8.300 nan 0.000 0.459 212 G N 0.241 108.891 108.800 -0.250 0.000 2.327 212 G HA2 0.392 4.357 3.960 0.008 0.000 0.291 212 G HA3 0.392 4.357 3.960 0.008 0.000 0.291 212 G C -1.969 172.475 174.900 -0.761 0.000 1.290 212 G CA -0.731 43.938 45.100 -0.718 0.000 0.857 212 G HN 0.735 nan 8.290 nan 0.000 0.520 213 S N -0.787 114.221 115.700 -1.153 0.000 2.756 213 S HA 0.561 5.036 4.470 0.008 0.000 0.303 213 S C 1.334 175.720 174.600 -0.356 0.000 1.135 213 S CA 0.788 58.655 58.200 -0.554 0.000 1.066 213 S CB 0.887 63.924 63.200 -0.272 0.000 1.008 213 S HN 1.915 nan 8.310 nan 0.000 0.482 214 G N 3.804 112.492 108.800 -0.187 0.000 2.432 214 G HA2 -0.145 3.820 3.960 0.008 0.000 0.219 214 G HA3 -0.145 3.820 3.960 0.008 0.000 0.219 214 G C 1.243 176.101 174.900 -0.070 0.000 1.135 214 G CA 1.026 46.065 45.100 -0.102 0.000 0.767 214 G HN 0.678 nan 8.290 nan 0.000 0.550 215 L N 0.391 121.556 121.223 -0.097 0.000 1.990 215 L HA -0.143 4.202 4.340 0.008 0.000 0.213 215 L C 2.352 179.096 176.870 -0.210 0.000 1.072 215 L CA 1.995 56.725 54.840 -0.183 0.000 0.755 215 L CB -0.573 41.313 42.059 -0.289 0.000 0.889 215 L HN 0.370 nan 8.230 nan 0.000 0.432 216 H N -0.927 118.212 119.070 0.116 0.000 2.539 216 H HA 0.314 4.874 4.556 0.007 0.000 0.269 216 H C 1.381 176.861 175.328 0.253 0.000 0.980 216 H CA 0.631 56.821 56.048 0.237 0.000 1.152 216 H CB 0.053 30.091 29.762 0.461 0.000 1.407 216 H HN 0.504 nan 8.280 nan 0.000 0.564 217 G N 1.487 110.405 108.800 0.197 0.000 2.182 217 G HA2 -0.205 3.760 3.960 0.008 0.000 0.248 217 G HA3 -0.205 3.760 3.960 0.008 0.000 0.248 217 G C -0.043 175.017 174.900 0.268 0.000 1.042 217 G CA 0.381 45.580 45.100 0.165 0.000 0.775 217 G HN 0.530 nan 8.290 nan 0.000 0.501 218 W N -1.085 120.334 121.300 0.198 0.000 2.761 218 W HA 0.858 5.522 4.660 0.006 0.000 0.340 218 W C -0.232 176.416 176.519 0.216 0.000 1.072 218 W CA -1.384 56.089 57.345 0.213 0.000 1.215 218 W CB 1.606 31.233 29.460 0.278 0.000 1.420 218 W HN 1.056 nan 8.180 nan 0.000 0.519 219 A N 3.042 126.132 122.820 0.449 0.000 2.601 219 A HA 0.885 5.209 4.320 0.008 0.000 0.291 219 A C -2.047 175.804 177.584 0.446 0.000 1.075 219 A CA -0.766 51.436 52.037 0.275 0.000 0.671 219 A CB 1.555 20.556 19.000 0.002 0.000 1.277 219 A HN 1.178 nan 8.150 nan 0.000 0.417 220 F N -1.207 118.928 119.950 0.307 0.000 2.713 220 F HA 0.871 5.402 4.527 0.007 0.000 0.311 220 F C -0.333 175.657 175.800 0.318 0.000 1.141 220 F CA -0.099 58.086 58.000 0.309 0.000 0.939 220 F CB 1.282 40.580 39.000 0.496 0.000 1.325 220 F HN 0.987 nan 8.300 nan 0.000 0.453 221 T N -0.587 114.277 114.554 0.516 0.000 2.916 221 T HA 0.469 4.823 4.350 0.008 0.000 0.292 221 T C 0.639 175.727 174.700 0.646 0.000 1.064 221 T CA -0.829 61.516 62.100 0.408 0.000 1.011 221 T CB 1.544 70.516 68.868 0.173 0.000 1.152 221 T HN 0.658 nan 8.240 nan 0.000 0.510 222 I N 0.414 121.307 120.570 0.537 0.000 2.335 222 I HA -0.100 4.075 4.170 0.008 0.000 0.251 222 I C 2.642 178.983 176.117 0.373 0.000 1.129 222 I CA 1.388 62.995 61.300 0.512 0.000 1.402 222 I CB -1.118 37.120 38.000 0.396 0.000 1.069 222 I HN 0.825 nan 8.210 nan 0.000 0.424 223 R N 0.953 121.610 120.500 0.262 0.000 2.081 223 R HA -0.192 4.152 4.340 0.008 0.000 0.235 223 R C 2.253 178.640 176.300 0.146 0.000 1.131 223 R CA 1.396 57.599 56.100 0.172 0.000 0.960 223 R CB -0.046 30.329 30.300 0.126 0.000 0.856 223 R HN 0.445 nan 8.270 nan 0.000 0.436 224 Q N -0.844 119.049 119.800 0.155 0.000 2.096 224 Q HA -0.176 4.168 4.340 0.008 0.000 0.204 224 Q C 1.816 177.773 176.000 -0.073 0.000 0.982 224 Q CA 1.758 57.569 55.803 0.013 0.000 0.850 224 Q CB -0.062 28.662 28.738 -0.024 0.000 0.901 224 Q HN 0.335 nan 8.270 nan 0.000 0.422 225 F N -0.212 119.797 119.950 0.099 0.000 2.367 225 F HA 0.007 4.539 4.527 0.009 0.000 0.298 225 F C 2.220 178.104 175.800 0.139 0.000 1.094 225 F CA 0.729 58.784 58.000 0.091 0.000 1.409 225 F CB -0.230 38.868 39.000 0.164 0.000 1.064 225 F HN 0.036 nan 8.300 nan 0.000 0.528 226 A N -0.516 122.478 122.820 0.289 0.000 1.930 226 A HA -0.151 4.173 4.320 0.008 0.000 0.217 226 A C 2.218 179.866 177.584 0.107 0.000 1.175 226 A CA 2.178 54.324 52.037 0.181 0.000 0.627 226 A CB -1.211 17.865 19.000 0.127 0.000 0.815 226 A HN 0.306 nan 8.150 nan 0.000 0.443 227 T N -0.511 114.079 114.554 0.059 0.000 2.788 227 T HA -0.122 4.233 4.350 0.008 0.000 0.268 227 T C 2.071 176.756 174.700 -0.025 0.000 1.044 227 T CA 1.423 63.529 62.100 0.009 0.000 1.139 227 T CB -0.202 68.654 68.868 -0.020 0.000 0.867 227 T HN 0.482 nan 8.240 nan 0.000 0.454 228 R N -0.034 120.410 120.500 -0.093 0.000 2.070 228 R HA -0.066 4.278 4.340 0.008 0.000 0.232 228 R C 1.991 178.194 176.300 -0.162 0.000 1.138 228 R CA 1.563 57.531 56.100 -0.221 0.000 0.936 228 R CB -0.357 29.668 30.300 -0.459 0.000 0.839 228 R HN 0.438 nan 8.270 nan 0.000 0.429 229 Y N -0.138 120.237 120.300 0.125 0.000 2.529 229 Y HA 0.145 4.700 4.550 0.008 0.000 0.290 229 Y C 1.978 178.005 175.900 0.210 0.000 1.177 229 Y CA 0.176 58.401 58.100 0.209 0.000 1.305 229 Y CB -0.256 38.267 38.460 0.104 0.000 1.047 229 Y HN 0.149 nan 8.280 nan 0.000 0.522 230 A N 0.519 123.457 122.820 0.197 0.000 1.978 230 A HA -0.222 4.103 4.320 0.008 0.000 0.220 230 A C 2.161 179.831 177.584 0.143 0.000 1.170 230 A CA 1.809 53.924 52.037 0.131 0.000 0.636 230 A CB -0.271 18.768 19.000 0.065 0.000 0.810 230 A HN 0.415 nan 8.150 nan 0.000 0.448 231 K N -0.606 119.870 120.400 0.126 0.000 2.128 231 K HA 0.045 4.370 4.320 0.008 0.000 0.202 231 K C 1.644 178.293 176.600 0.082 0.000 1.050 231 K CA 0.914 57.252 56.287 0.084 0.000 0.966 231 K CB -0.085 32.441 32.500 0.043 0.000 0.759 231 K HN 0.305 nan 8.250 nan 0.000 0.454 232 K N 0.115 120.573 120.400 0.097 0.000 2.585 232 K HA -0.062 4.263 4.320 0.008 0.000 0.194 232 K C 0.437 176.822 176.600 -0.359 0.000 1.037 232 K CA 0.945 57.181 56.287 -0.084 0.000 0.964 232 K CB 0.075 32.547 32.500 -0.047 0.000 0.787 232 K HN 0.105 nan 8.250 nan 0.000 0.488 233 F N -0.805 119.187 119.950 0.071 0.000 2.838 233 F HA 0.223 4.755 4.527 0.008 0.000 0.329 233 F C 0.879 176.715 175.800 0.060 0.000 1.116 233 F CA -0.434 57.611 58.000 0.075 0.000 1.155 233 F CB 1.125 40.160 39.000 0.057 0.000 1.106 233 F HN -0.029 nan 8.300 nan 0.000 0.538 234 G N 2.273 111.173 108.800 0.166 0.000 2.386 234 G HA2 -0.175 3.790 3.960 0.008 0.000 0.295 234 G HA3 -0.175 3.790 3.960 0.008 0.000 0.295 234 G C -0.584 174.375 174.900 0.097 0.000 0.979 234 G CA 0.406 45.571 45.100 0.107 0.000 1.193 234 G HN 0.228 nan 8.290 nan 0.000 0.508 235 V N 1.519 121.487 119.914 0.089 0.000 2.808 235 V HA 0.374 4.499 4.120 0.008 0.000 0.308 235 V C -0.191 175.910 176.094 0.011 0.000 1.099 235 V CA -0.730 61.588 62.300 0.030 0.000 0.920 235 V CB 2.146 33.957 31.823 -0.020 0.000 1.014 235 V HN 0.631 nan 8.190 nan 0.000 0.425 236 D N 4.455 124.852 120.400 -0.006 0.000 2.487 236 D HA -0.059 4.586 4.640 0.008 0.000 0.243 236 D C 1.085 177.373 176.300 -0.020 0.000 1.154 236 D CA -0.241 53.754 54.000 -0.008 0.000 0.876 236 D CB 0.884 41.677 40.800 -0.011 0.000 1.161 236 D HN 0.765 nan 8.370 nan 0.000 0.478 237 K N 1.610 122.008 120.400 -0.003 0.000 2.442 237 K HA -0.157 4.167 4.320 0.008 0.000 0.199 237 K C 1.597 178.191 176.600 -0.009 0.000 1.044 237 K CA 1.042 57.329 56.287 0.000 0.000 0.941 237 K CB -0.257 32.256 32.500 0.022 0.000 0.759 237 K HN 0.367 nan 8.250 nan 0.000 0.472 238 A N 2.271 125.082 122.820 -0.015 0.000 1.898 238 A HA -0.176 4.148 4.320 0.008 0.000 0.216 238 A C 2.182 179.740 177.584 -0.043 0.000 1.181 238 A CA 1.712 53.739 52.037 -0.017 0.000 0.620 238 A CB -0.389 18.602 19.000 -0.016 0.000 0.819 238 A HN 0.451 nan 8.150 nan 0.000 0.442 239 K N -1.547 118.809 120.400 -0.073 0.000 2.076 239 K HA -0.046 4.279 4.320 0.008 0.000 0.204 239 K C 2.008 178.490 176.600 -0.196 0.000 1.051 239 K CA 1.402 57.614 56.287 -0.126 0.000 0.949 239 K CB -0.208 32.208 32.500 -0.139 0.000 0.726 239 K HN 0.288 nan 8.250 nan 0.000 0.443 240 M N 1.152 120.635 119.600 -0.194 0.000 2.117 240 M HA -0.078 4.406 4.480 0.008 0.000 0.262 240 M C 2.012 178.223 176.300 -0.149 0.000 1.065 240 M CA 1.563 56.704 55.300 -0.264 0.000 1.114 240 M CB -0.234 32.255 32.600 -0.186 0.000 1.361 240 M HN 0.286 nan 8.290 nan 0.000 0.408 241 M N -0.571 119.003 119.600 -0.044 0.000 2.108 241 M HA -0.232 4.252 4.480 0.008 0.000 0.261 241 M C 1.534 177.866 176.300 0.054 0.000 1.066 241 M CA 2.102 57.429 55.300 0.045 0.000 1.107 241 M CB -0.398 32.237 32.600 0.059 0.000 1.356 241 M HN 0.240 nan 8.290 nan 0.000 0.406 242 D N -0.187 120.209 120.400 -0.006 0.000 2.219 242 D HA -0.121 4.523 4.640 0.008 0.000 0.205 242 D C 1.859 178.163 176.300 0.006 0.000 0.970 242 D CA 1.151 55.156 54.000 0.008 0.000 0.851 242 D CB 0.071 40.849 40.800 -0.037 0.000 0.943 242 D HN 0.385 nan 8.370 nan 0.000 0.488 243 R N -0.624 119.820 120.500 -0.092 0.000 2.161 243 R HA 0.166 4.511 4.340 0.008 0.000 0.213 243 R C 2.030 178.347 176.300 0.028 0.000 1.055 243 R CA 0.140 56.162 56.100 -0.130 0.000 0.996 243 R CB 0.055 30.060 30.300 -0.492 0.000 0.901 243 R HN 0.205 nan 8.270 nan 0.000 0.456 244 L N 0.132 121.411 121.223 0.094 0.000 2.675 244 L HA 0.031 4.375 4.340 0.008 0.000 0.238 244 L C 0.253 177.413 176.870 0.484 0.000 1.155 244 L CA 0.191 55.181 54.840 0.250 0.000 0.881 244 L CB -0.053 42.155 42.059 0.249 0.000 1.008 244 L HN 0.264 nan 8.230 nan 0.000 0.443 245 W N -0.187 121.195 121.300 0.138 0.000 3.256 245 W HA 0.445 5.109 4.660 0.007 0.000 0.324 245 W C 0.201 176.757 176.519 0.062 0.000 1.196 245 W CA 0.231 57.653 57.345 0.128 0.000 1.206 245 W CB 1.694 31.232 29.460 0.129 0.000 1.385 245 W HN 0.034 nan 8.180 nan 0.000 0.522 246 G N 3.755 112.269 108.800 -0.478 0.000 2.545 246 G HA2 -0.237 3.728 3.960 0.008 0.000 0.216 246 G HA3 -0.237 3.728 3.960 0.008 0.000 0.216 246 G C -0.685 174.022 174.900 -0.321 0.000 1.314 246 G CA -0.184 44.758 45.100 -0.263 0.000 0.906 246 G HN 0.400 nan 8.290 nan 0.000 0.563 247 D N 1.709 121.999 120.400 -0.183 0.000 2.845 247 D HA 0.479 5.124 4.640 0.008 0.000 0.235 247 D C 0.114 176.225 176.300 -0.315 0.000 1.158 247 D CA 0.507 54.367 54.000 -0.233 0.000 0.990 247 D CB 0.285 41.161 40.800 0.127 0.000 1.094 247 D HN 0.415 nan 8.370 nan 0.000 0.486 248 S N 0.503 115.869 115.700 -0.557 0.000 2.472 248 S HA 0.600 5.074 4.470 0.008 0.000 0.303 248 S C -0.464 173.841 174.600 -0.492 0.000 1.099 248 S CA -0.606 57.451 58.200 -0.239 0.000 1.077 248 S CB 0.983 64.192 63.200 0.016 0.000 1.031 248 S HN 0.097 nan 8.310 nan 0.000 0.487 249 F N 2.130 122.241 119.950 0.268 0.000 2.539 249 F HA 0.444 4.974 4.527 0.005 0.000 0.318 249 F C -0.638 175.187 175.800 0.041 0.000 1.135 249 F CA -0.891 57.181 58.000 0.120 0.000 0.915 249 F CB 1.135 40.143 39.000 0.014 0.000 1.176 249 F HN 0.539 nan 8.300 nan 0.000 0.440 250 F N 4.687 124.497 119.950 -0.232 0.000 2.303 250 F HA 0.368 4.899 4.527 0.007 0.000 0.368 250 F C 0.321 175.936 175.800 -0.308 0.000 1.105 250 F CA -0.759 56.858 58.000 -0.637 0.000 1.153 250 F CB 0.146 38.482 39.000 -1.107 0.000 1.362 250 F HN 0.414 nan 8.300 nan 0.000 0.511 251 N N 7.793 126.136 118.700 -0.595 0.000 2.434 251 N HA 0.031 4.776 4.740 0.008 0.000 0.268 251 N C -1.909 173.229 175.510 -0.621 0.000 1.256 251 N CA -1.311 51.463 53.050 -0.460 0.000 0.914 251 N CB 1.293 39.582 38.487 -0.330 0.000 1.088 251 N HN 0.321 nan 8.380 nan 0.000 0.478 252 P HA -0.065 nan 4.420 nan 0.000 0.217 252 P C 0.711 177.907 177.300 -0.173 0.000 1.151 252 P CA 1.462 64.445 63.100 -0.194 0.000 0.828 252 P CB 0.371 32.011 31.700 -0.100 0.000 0.788 253 K N -0.852 119.445 120.400 -0.172 0.000 2.103 253 K HA -0.026 4.299 4.320 0.008 0.000 0.204 253 K C 1.881 178.402 176.600 -0.133 0.000 1.052 253 K CA 1.911 58.124 56.287 -0.123 0.000 0.945 253 K CB -0.665 31.772 32.500 -0.105 0.000 0.722 253 K HN 0.268 nan 8.250 nan 0.000 0.443 254 T N -1.961 112.478 114.554 -0.191 0.000 3.040 254 T HA 0.130 4.484 4.350 0.008 0.000 0.250 254 T C 0.322 174.895 174.700 -0.212 0.000 1.058 254 T CA -0.345 61.655 62.100 -0.166 0.000 0.988 254 T CB 0.195 68.973 68.868 -0.150 0.000 0.993 254 T HN -0.083 nan 8.240 nan 0.000 0.519 255 K N 0.882 121.053 120.400 -0.380 0.000 3.096 255 K HA -0.121 4.203 4.320 0.008 0.000 0.266 255 K C -0.494 175.820 176.600 -0.476 0.000 1.043 255 K CA 0.688 56.681 56.287 -0.489 0.000 0.758 255 K CB -1.674 30.815 32.500 -0.018 0.000 1.260 255 K HN 0.584 nan 8.250 nan 0.000 0.481 256 K N -0.399 119.620 120.400 -0.634 0.000 2.316 256 K HA 0.380 4.705 4.320 0.008 0.000 0.251 256 K C -0.362 176.063 176.600 -0.292 0.000 0.934 256 K CA -0.719 55.410 56.287 -0.264 0.000 0.802 256 K CB 1.015 33.448 32.500 -0.113 0.000 1.171 256 K HN 0.006 nan 8.250 nan 0.000 0.426 257 W N 1.202 122.562 121.300 0.099 0.000 2.316 257 W HA 0.268 4.932 4.660 0.006 0.000 0.321 257 W C 0.013 176.597 176.519 0.108 0.000 1.203 257 W CA 0.128 57.579 57.345 0.176 0.000 1.214 257 W CB 1.566 31.151 29.460 0.209 0.000 1.169 257 W HN 0.369 nan 8.180 nan 0.000 0.561 258 T N 1.394 116.187 114.554 0.399 0.000 2.868 258 T HA 0.169 4.524 4.350 0.008 0.000 0.306 258 T C -0.080 174.841 174.700 0.367 0.000 1.224 258 T CA -0.952 61.315 62.100 0.278 0.000 1.012 258 T CB 1.515 70.472 68.868 0.148 0.000 1.221 258 T HN 0.364 nan 8.240 nan 0.000 0.499 259 N N -0.248 118.613 118.700 0.268 0.000 2.236 259 N HA 0.132 4.876 4.740 0.008 0.000 0.196 259 N C 0.086 175.754 175.510 0.264 0.000 1.114 259 N CA -0.044 53.186 53.050 0.299 0.000 0.859 259 N CB 0.671 39.262 38.487 0.174 0.000 0.982 259 N HN 0.293 nan 8.380 nan 0.000 0.493 260 K N 1.549 122.014 120.400 0.108 0.000 2.213 260 K HA 0.050 4.375 4.320 0.008 0.000 0.270 260 K C -0.268 176.045 176.600 -0.478 0.000 1.002 260 K CA -0.524 55.704 56.287 -0.099 0.000 0.868 260 K CB 0.816 33.271 32.500 -0.075 0.000 1.093 260 K HN 0.024 nan 8.250 nan 0.000 0.454 261 D N 2.074 122.051 120.400 -0.706 0.000 2.338 261 D HA -0.052 4.592 4.640 0.008 0.000 0.239 261 D C -0.312 175.613 176.300 -0.624 0.000 1.095 261 D CA 0.007 53.268 54.000 -1.232 0.000 0.888 261 D CB -0.034 40.266 40.800 -0.834 0.000 0.899 261 D HN 0.456 nan 8.370 nan 0.000 0.525 262 T N -2.433 111.884 114.554 -0.395 0.000 2.916 262 T HA 0.427 4.782 4.350 0.008 0.000 0.305 262 T C -0.515 174.075 174.700 -0.183 0.000 1.119 262 T CA -1.048 60.905 62.100 -0.244 0.000 1.008 262 T CB 2.478 71.244 68.868 -0.171 0.000 1.129 262 T HN 0.020 nan 8.240 nan 0.000 0.480 263 D N 1.620 121.931 120.400 -0.147 0.000 2.414 263 D HA 0.452 5.096 4.640 0.008 0.000 0.259 263 D C 1.774 178.021 176.300 -0.088 0.000 1.269 263 D CA -0.245 53.686 54.000 -0.114 0.000 1.028 263 D CB 0.035 40.771 40.800 -0.108 0.000 1.093 263 D HN 0.682 nan 8.370 nan 0.000 0.545 264 A N -0.414 122.363 122.820 -0.072 0.000 1.940 264 A HA -0.219 4.105 4.320 0.008 0.000 0.219 264 A C 1.849 179.401 177.584 -0.054 0.000 1.176 264 A CA 1.565 53.569 52.037 -0.056 0.000 0.631 264 A CB -0.825 18.147 19.000 -0.047 0.000 0.814 264 A HN 0.686 nan 8.150 nan 0.000 0.446 265 E N -1.574 118.592 120.200 -0.058 0.000 2.502 265 E HA 0.252 4.607 4.350 0.008 0.000 0.194 265 E C 0.994 177.561 176.600 -0.056 0.000 1.062 265 E CA 0.247 56.616 56.400 -0.052 0.000 0.867 265 E CB -0.134 29.536 29.700 -0.050 0.000 0.888 265 E HN 0.770 nan 8.360 nan 0.000 0.510 266 G N 2.242 111.002 108.800 -0.067 0.000 2.137 266 G HA2 -0.291 3.673 3.960 0.008 0.000 0.237 266 G HA3 -0.291 3.673 3.960 0.008 0.000 0.237 266 G C -0.063 174.789 174.900 -0.080 0.000 1.002 266 G CA -0.014 45.042 45.100 -0.072 0.000 0.702 266 G HN 0.144 nan 8.290 nan 0.000 0.515 267 K N 0.813 121.161 120.400 -0.087 0.000 2.174 267 K HA 0.462 4.786 4.320 0.008 0.000 0.275 267 K C -2.438 174.092 176.600 -0.117 0.000 1.015 267 K CA -1.895 54.338 56.287 -0.090 0.000 0.933 267 K CB 1.099 33.549 32.500 -0.082 0.000 1.025 267 K HN 0.013 nan 8.250 nan 0.000 0.463 268 P HA 0.044 nan 4.420 nan 0.000 0.268 268 P C -0.856 176.355 177.300 -0.149 0.000 1.204 268 P CA 0.144 63.161 63.100 -0.137 0.000 0.768 268 P CB 0.494 32.135 31.700 -0.100 0.000 0.842 269 L N 2.206 123.300 121.223 -0.216 0.000 2.325 269 L HA 0.385 4.729 4.340 0.008 0.000 0.278 269 L C 0.880 177.754 176.870 0.006 0.000 1.023 269 L CA -0.775 53.971 54.840 -0.156 0.000 0.811 269 L CB 1.427 43.340 42.059 -0.245 0.000 1.249 269 L HN 0.361 nan 8.230 nan 0.000 0.431 270 E N 3.749 123.983 120.200 0.056 0.000 2.289 270 E HA 0.170 4.525 4.350 0.008 0.000 0.278 270 E C -0.272 176.433 176.600 0.175 0.000 1.032 270 E CA -0.728 55.710 56.400 0.064 0.000 0.854 270 E CB 0.891 30.542 29.700 -0.082 0.000 1.046 270 E HN 0.484 nan 8.360 nan 0.000 0.409 271 R N 2.966 123.492 120.500 0.043 0.000 2.738 271 R HA 0.203 4.548 4.340 0.008 0.000 0.268 271 R C 0.713 176.888 176.300 -0.207 0.000 1.062 271 R CA 0.335 56.229 56.100 -0.343 0.000 1.158 271 R CB 0.582 30.521 30.300 -0.601 0.000 1.046 271 R HN 0.517 nan 8.270 nan 0.000 0.493 272 A N 2.663 125.412 122.820 -0.119 0.000 1.908 272 A HA -0.205 4.120 4.320 0.008 0.000 0.218 272 A C 1.888 179.565 177.584 0.155 0.000 1.181 272 A CA 1.358 53.516 52.037 0.202 0.000 0.627 272 A CB -0.821 18.427 19.000 0.413 0.000 0.818 272 A HN 0.872 nan 8.150 nan 0.000 0.445 273 F N 1.624 121.510 119.950 -0.105 0.000 2.095 273 F HA -0.244 4.289 4.527 0.009 0.000 0.298 273 F C 1.898 177.611 175.800 -0.146 0.000 1.104 273 F CA 2.249 60.202 58.000 -0.079 0.000 1.232 273 F CB -0.255 38.685 39.000 -0.099 0.000 0.987 273 F HN 0.246 nan 8.300 nan 0.000 0.475 274 N N -0.252 118.354 118.700 -0.157 0.000 2.244 274 N HA -0.143 4.601 4.740 0.008 0.000 0.183 274 N C 1.915 177.213 175.510 -0.353 0.000 1.016 274 N CA 1.398 54.286 53.050 -0.271 0.000 0.866 274 N CB -0.406 37.944 38.487 -0.227 0.000 0.980 274 N HN 0.401 nan 8.380 nan 0.000 0.430 275 M N -1.303 118.075 119.600 -0.370 0.000 2.287 275 M HA 0.081 4.566 4.480 0.008 0.000 0.266 275 M C 0.515 176.420 176.300 -0.660 0.000 1.079 275 M CA 1.235 56.203 55.300 -0.554 0.000 1.146 275 M CB 0.194 32.346 32.600 -0.746 0.000 1.374 275 M HN -0.013 nan 8.290 nan 0.000 0.435 276 F N -1.117 118.643 119.950 -0.316 0.000 2.678 276 F HA 0.213 4.745 4.527 0.007 0.000 0.291 276 F C 1.661 177.271 175.800 -0.316 0.000 1.123 276 F CA 0.333 58.122 58.000 -0.352 0.000 1.395 276 F CB 0.122 38.735 39.000 -0.645 0.000 1.121 276 F HN 0.006 nan 8.300 nan 0.000 0.592 277 I N -1.126 119.170 120.570 -0.456 0.000 3.132 277 I HA -0.053 4.121 4.170 0.008 0.000 0.255 277 I C 1.962 177.667 176.117 -0.687 0.000 1.118 277 I CA 0.409 61.113 61.300 -0.994 0.000 1.463 277 I CB -0.323 36.844 38.000 -1.389 0.000 1.356 277 I HN -0.066 nan 8.210 nan 0.000 0.463 278 L N 0.808 121.677 121.223 -0.590 0.000 2.056 278 L HA -0.214 4.131 4.340 0.008 0.000 0.207 278 L C 2.202 179.015 176.870 -0.095 0.000 1.078 278 L CA 1.700 56.391 54.840 -0.247 0.000 0.749 278 L CB -0.649 41.229 42.059 -0.302 0.000 0.901 278 L HN 0.315 nan 8.230 nan 0.000 0.433 279 D N -0.010 120.247 120.400 -0.239 0.000 2.106 279 D HA -0.159 4.485 4.640 0.008 0.000 0.191 279 D C -0.637 175.661 176.300 -0.004 0.000 0.997 279 D CA 1.552 55.460 54.000 -0.152 0.000 0.834 279 D CB -0.723 39.956 40.800 -0.202 0.000 0.956 279 D HN 0.097 nan 8.370 nan 0.000 0.448 280 P HA -0.125 nan 4.420 nan 0.000 0.216 280 P C 1.501 178.823 177.300 0.037 0.000 1.153 280 P CA 1.182 64.310 63.100 0.046 0.000 0.858 280 P CB -0.055 31.745 31.700 0.167 0.000 0.789 281 I N -2.630 117.997 120.570 0.094 0.000 2.202 281 I HA -0.231 3.943 4.170 0.008 0.000 0.242 281 I C 2.146 178.338 176.117 0.125 0.000 1.091 281 I CA 1.369 62.723 61.300 0.091 0.000 1.368 281 I CB -0.747 37.280 38.000 0.046 0.000 1.058 281 I HN -0.166 nan 8.210 nan 0.000 0.410 282 F N 1.427 121.332 119.950 -0.075 0.000 2.161 282 F HA -0.205 4.326 4.527 0.006 0.000 0.300 282 F C 2.683 178.489 175.800 0.009 0.000 1.089 282 F CA 1.542 59.507 58.000 -0.058 0.000 1.282 282 F CB -0.560 38.394 39.000 -0.078 0.000 1.010 282 F HN -0.050 nan 8.300 nan 0.000 0.485 283 R N -0.253 120.342 120.500 0.159 0.000 2.092 283 R HA -0.090 4.255 4.340 0.008 0.000 0.231 283 R C 2.197 178.508 176.300 0.018 0.000 1.119 283 R CA 1.128 57.268 56.100 0.066 0.000 0.970 283 R CB -0.603 29.709 30.300 0.020 0.000 0.864 283 R HN 0.323 nan 8.270 nan 0.000 0.440 284 L N -0.472 120.749 121.223 -0.004 0.000 2.056 284 L HA -0.123 4.222 4.340 0.008 0.000 0.207 284 L C 2.148 178.970 176.870 -0.080 0.000 1.078 284 L CA 1.299 56.089 54.840 -0.085 0.000 0.749 284 L CB -0.377 41.580 42.059 -0.171 0.000 0.901 284 L HN 0.089 nan 8.230 nan 0.000 0.433 285 F N 0.073 119.907 119.950 -0.193 0.000 2.161 285 F HA -0.261 4.271 4.527 0.010 0.000 0.300 285 F C 2.594 178.296 175.800 -0.162 0.000 1.089 285 F CA 1.800 59.678 58.000 -0.204 0.000 1.282 285 F CB -0.391 38.459 39.000 -0.250 0.000 1.010 285 F HN 0.035 nan 8.300 nan 0.000 0.485 286 T N -0.637 113.956 114.554 0.065 0.000 2.809 286 T HA -0.080 4.274 4.350 0.008 0.000 0.260 286 T C 2.228 176.904 174.700 -0.042 0.000 1.039 286 T CA 1.089 63.200 62.100 0.019 0.000 1.141 286 T CB -0.562 68.335 68.868 0.049 0.000 0.869 286 T HN 0.275 nan 8.240 nan 0.000 0.437 287 A N 1.093 123.881 122.820 -0.054 0.000 1.902 287 A HA 0.016 4.341 4.320 0.008 0.000 0.217 287 A C 2.269 179.770 177.584 -0.138 0.000 1.181 287 A CA 1.168 53.161 52.037 -0.074 0.000 0.623 287 A CB -0.715 18.245 19.000 -0.067 0.000 0.818 287 A HN 0.508 nan 8.150 nan 0.000 0.443 288 I N -0.969 119.481 120.570 -0.200 0.000 2.233 288 I HA -0.180 3.994 4.170 0.008 0.000 0.243 288 I C 2.258 178.087 176.117 -0.480 0.000 1.093 288 I CA 0.927 62.050 61.300 -0.296 0.000 1.380 288 I CB -0.262 37.549 38.000 -0.315 0.000 1.067 288 I HN 0.226 nan 8.210 nan 0.000 0.413 289 M N 0.151 119.502 119.600 -0.415 0.000 2.492 289 M HA -0.062 4.423 4.480 0.008 0.000 0.262 289 M C 0.975 176.983 176.300 -0.487 0.000 1.090 289 M CA 1.301 56.308 55.300 -0.489 0.000 1.110 289 M CB -1.342 31.114 32.600 -0.239 0.000 1.407 289 M HN 0.177 nan 8.290 nan 0.000 0.470 290 N N -0.330 118.201 118.700 -0.282 0.000 2.270 290 N HA 0.138 4.882 4.740 0.008 0.000 0.198 290 N C -0.492 175.089 175.510 0.118 0.000 1.117 290 N CA 0.006 53.039 53.050 -0.028 0.000 0.845 290 N CB -0.147 38.350 38.487 0.017 0.000 0.980 290 N HN 0.109 nan 8.380 nan 0.000 0.486 291 F N -0.157 119.782 119.950 -0.018 0.000 3.090 291 F HA -0.289 4.242 4.527 0.008 0.000 0.282 291 F C -0.158 175.632 175.800 -0.016 0.000 0.923 291 F CA 0.382 58.371 58.000 -0.018 0.000 0.977 291 F CB -1.914 37.079 39.000 -0.012 0.000 0.954 291 F HN 0.018 nan 8.300 nan 0.000 0.695 292 K N 1.613 122.057 120.400 0.072 0.000 2.111 292 K HA 0.082 4.407 4.320 0.008 0.000 0.249 292 K C 1.300 177.918 176.600 0.030 0.000 1.157 292 K CA -0.049 56.267 56.287 0.048 0.000 1.048 292 K CB 0.206 32.717 32.500 0.019 0.000 1.498 292 K HN 0.537 nan 8.250 nan 0.000 0.344 293 K N 0.106 120.536 120.400 0.050 0.000 2.360 293 K HA -0.176 4.148 4.320 0.008 0.000 0.201 293 K C 0.221 176.829 176.600 0.013 0.000 1.046 293 K CA 1.305 57.612 56.287 0.034 0.000 0.940 293 K CB 0.148 32.675 32.500 0.044 0.000 0.748 293 K HN 0.203 nan 8.250 nan 0.000 0.465 294 D N 1.286 121.693 120.400 0.012 0.000 2.271 294 D HA -0.031 4.614 4.640 0.008 0.000 0.206 294 D C 1.531 177.828 176.300 -0.004 0.000 0.967 294 D CA 0.749 54.751 54.000 0.004 0.000 0.867 294 D CB 0.201 41.005 40.800 0.006 0.000 0.960 294 D HN 0.416 nan 8.370 nan 0.000 0.509 295 E N 0.369 120.564 120.200 -0.008 0.000 2.086 295 E HA 0.022 4.377 4.350 0.008 0.000 0.190 295 E C 2.264 178.846 176.600 -0.030 0.000 0.975 295 E CA 0.152 56.541 56.400 -0.017 0.000 0.813 295 E CB 0.230 29.920 29.700 -0.017 0.000 0.768 295 E HN 0.221 nan 8.360 nan 0.000 0.457 296 I N 1.678 122.226 120.570 -0.036 0.000 2.113 296 I HA -0.256 3.918 4.170 0.008 0.000 0.242 296 I C -0.693 175.393 176.117 -0.051 0.000 1.064 296 I CA 1.432 62.699 61.300 -0.055 0.000 1.320 296 I CB -1.598 36.367 38.000 -0.058 0.000 1.028 296 I HN 0.075 nan 8.210 nan 0.000 0.406 297 P HA -0.137 nan 4.420 nan 0.000 0.214 297 P C 2.035 179.317 177.300 -0.030 0.000 1.163 297 P CA 1.335 64.417 63.100 -0.029 0.000 0.889 297 P CB -0.049 31.641 31.700 -0.017 0.000 0.790 298 V N -0.775 119.124 119.914 -0.026 0.000 2.332 298 V HA -0.220 3.904 4.120 0.008 0.000 0.248 298 V C 2.413 178.487 176.094 -0.033 0.000 1.055 298 V CA 1.574 63.860 62.300 -0.023 0.000 1.038 298 V CB -1.196 30.617 31.823 -0.017 0.000 0.651 298 V HN 0.052 nan 8.190 nan 0.000 0.450 299 L N -1.008 120.187 121.223 -0.046 0.000 2.141 299 L HA -0.068 4.277 4.340 0.008 0.000 0.209 299 L C 2.049 178.865 176.870 -0.091 0.000 1.094 299 L CA 1.708 56.508 54.840 -0.066 0.000 0.763 299 L CB -0.498 41.514 42.059 -0.079 0.000 0.908 299 L HN 0.176 nan 8.230 nan 0.000 0.437 300 L N -0.693 120.479 121.223 -0.085 0.000 2.072 300 L HA -0.126 4.218 4.340 0.008 0.000 0.205 300 L C 2.510 179.345 176.870 -0.057 0.000 1.079 300 L CA 1.572 56.358 54.840 -0.091 0.000 0.752 300 L CB -1.014 41.001 42.059 -0.074 0.000 0.906 300 L HN 0.398 nan 8.230 nan 0.000 0.436 301 E N -0.019 120.159 120.200 -0.037 0.000 2.153 301 E HA -0.281 4.074 4.350 0.008 0.000 0.194 301 E C 2.209 178.800 176.600 -0.014 0.000 0.988 301 E CA 1.069 57.458 56.400 -0.019 0.000 0.811 301 E CB 0.078 29.770 29.700 -0.013 0.000 0.746 301 E HN 0.387 nan 8.360 nan 0.000 0.466 302 K N 0.391 120.779 120.400 -0.021 0.000 2.063 302 K HA -0.124 4.201 4.320 0.008 0.000 0.208 302 K C 1.849 178.450 176.600 0.001 0.000 1.048 302 K CA 1.260 57.542 56.287 -0.008 0.000 0.928 302 K CB -0.019 32.473 32.500 -0.013 0.000 0.713 302 K HN 0.211 nan 8.250 nan 0.000 0.442 303 L N 0.577 121.784 121.223 -0.026 0.000 2.611 303 L HA 0.121 4.465 4.340 0.008 0.000 0.229 303 L C 0.115 177.008 176.870 0.038 0.000 1.137 303 L CA -0.007 54.834 54.840 0.002 0.000 0.901 303 L CB -0.127 41.850 42.059 -0.137 0.000 1.098 303 L HN 0.327 nan 8.230 nan 0.000 0.456 304 E N 1.650 121.858 120.200 0.013 0.000 2.252 304 E HA -0.230 4.125 4.350 0.008 0.000 0.218 304 E C -0.349 176.272 176.600 0.035 0.000 1.253 304 E CA 0.029 56.442 56.400 0.021 0.000 0.705 304 E CB -0.861 28.855 29.700 0.026 0.000 1.172 304 E HN 0.484 nan 8.360 nan 0.000 0.369 305 I N 1.751 122.329 120.570 0.013 0.000 2.337 305 I HA 0.221 4.396 4.170 0.008 0.000 0.285 305 I C 0.280 176.401 176.117 0.006 0.000 1.041 305 I CA -0.746 60.569 61.300 0.023 0.000 1.199 305 I CB 1.311 39.305 38.000 -0.010 0.000 1.370 305 I HN 0.011 nan 8.210 nan 0.000 0.470 306 V N 8.094 128.018 119.914 0.017 0.000 2.498 306 V HA 0.442 4.566 4.120 0.008 0.000 0.279 306 V C 0.024 176.125 176.094 0.012 0.000 1.048 306 V CA -0.222 62.084 62.300 0.010 0.000 0.967 306 V CB 1.289 33.119 31.823 0.012 0.000 0.988 306 V HN 0.533 nan 8.190 nan 0.000 0.473 307 L N 6.307 127.533 121.223 0.005 0.000 2.400 307 L HA 0.700 5.045 4.340 0.008 0.000 0.264 307 L C -0.161 176.715 176.870 0.009 0.000 1.061 307 L CA -1.005 53.840 54.840 0.007 0.000 0.799 307 L CB 1.345 43.404 42.059 -0.000 0.000 1.240 307 L HN 0.424 nan 8.230 nan 0.000 0.461 308 K N 0.333 120.740 120.400 0.011 0.000 2.426 308 K HA 0.373 4.697 4.320 0.008 0.000 0.254 308 K C 0.365 176.971 176.600 0.011 0.000 0.936 308 K CA 0.209 56.503 56.287 0.011 0.000 0.801 308 K CB 1.687 34.195 32.500 0.014 0.000 1.139 308 K HN 0.769 nan 8.250 nan 0.000 0.424 309 G N 4.230 113.035 108.800 0.009 0.000 2.690 309 G HA2 -0.443 3.522 3.960 0.008 0.000 0.362 309 G HA3 -0.443 3.522 3.960 0.008 0.000 0.362 309 G C 0.895 175.801 174.900 0.010 0.000 1.132 309 G CA 1.202 46.308 45.100 0.009 0.000 0.922 309 G HN 0.673 nan 8.290 nan 0.000 0.595 310 D N 1.140 121.547 120.400 0.012 0.000 2.182 310 D HA -0.033 4.612 4.640 0.008 0.000 0.201 310 D C 2.450 178.759 176.300 0.014 0.000 0.986 310 D CA 1.485 55.493 54.000 0.013 0.000 0.847 310 D CB -0.380 40.429 40.800 0.015 0.000 0.942 310 D HN 0.768 nan 8.370 nan 0.000 0.467 311 E N 0.490 120.698 120.200 0.014 0.000 2.153 311 E HA -0.130 4.224 4.350 0.008 0.000 0.194 311 E C 1.665 178.270 176.600 0.008 0.000 0.988 311 E CA 0.645 57.053 56.400 0.013 0.000 0.811 311 E CB -0.005 29.703 29.700 0.013 0.000 0.746 311 E HN 0.283 nan 8.360 nan 0.000 0.466 312 K N 0.512 120.917 120.400 0.007 0.000 2.574 312 K HA -0.103 4.222 4.320 0.008 0.000 0.193 312 K C 0.974 177.580 176.600 0.009 0.000 1.035 312 K CA 0.626 56.916 56.287 0.005 0.000 0.982 312 K CB 0.182 32.685 32.500 0.004 0.000 0.795 312 K HN 0.002 nan 8.250 nan 0.000 0.491 313 D N 0.062 120.470 120.400 0.014 0.000 2.441 313 D HA 0.096 4.740 4.640 0.008 0.000 0.210 313 D C 0.133 176.450 176.300 0.028 0.000 1.102 313 D CA -0.048 53.964 54.000 0.020 0.000 0.840 313 D CB 0.507 41.318 40.800 0.018 0.000 0.990 313 D HN -0.011 nan 8.370 nan 0.000 0.505 314 L N 1.362 122.600 121.223 0.024 0.000 2.464 314 L HA 0.274 4.619 4.340 0.008 0.000 0.264 314 L C 0.658 177.551 176.870 0.039 0.000 1.199 314 L CA 0.205 55.063 54.840 0.030 0.000 0.818 314 L CB 0.621 42.691 42.059 0.018 0.000 1.102 314 L HN 0.072 nan 8.230 nan 0.000 0.473 315 E N 0.102 120.341 120.200 0.064 0.000 2.430 315 E HA 0.626 4.980 4.350 0.008 0.000 0.279 315 E C -0.124 176.522 176.600 0.078 0.000 1.003 315 E CA -0.562 55.895 56.400 0.095 0.000 0.801 315 E CB 1.510 31.367 29.700 0.262 0.000 1.313 315 E HN 0.695 nan 8.360 nan 0.000 0.459 316 G N 1.627 110.356 108.800 -0.118 0.000 2.552 316 G HA2 -0.383 3.582 3.960 0.008 0.000 0.265 316 G HA3 -0.383 3.582 3.960 0.008 0.000 0.265 316 G C 0.559 175.364 174.900 -0.157 0.000 1.234 316 G CA 0.425 45.394 45.100 -0.217 0.000 0.944 316 G HN 0.595 nan 8.290 nan 0.000 0.568 317 K N 0.334 120.694 120.400 -0.067 0.000 2.103 317 K HA -0.035 4.290 4.320 0.008 0.000 0.207 317 K C 3.105 179.701 176.600 -0.007 0.000 1.048 317 K CA 1.893 58.156 56.287 -0.040 0.000 0.930 317 K CB -0.444 32.095 32.500 0.064 0.000 0.716 317 K HN 0.725 nan 8.250 nan 0.000 0.444 318 A N 1.487 124.319 122.820 0.020 0.000 1.892 318 A HA -0.204 4.121 4.320 0.008 0.000 0.218 318 A C 2.099 179.685 177.584 0.003 0.000 1.188 318 A CA 1.495 53.551 52.037 0.032 0.000 0.631 318 A CB -0.564 18.462 19.000 0.043 0.000 0.822 318 A HN 0.268 nan 8.150 nan 0.000 0.447 319 L N -0.978 120.225 121.223 -0.034 0.000 2.072 319 L HA -0.026 4.318 4.340 0.008 0.000 0.205 319 L C 2.214 179.018 176.870 -0.110 0.000 1.079 319 L CA 1.936 56.739 54.840 -0.061 0.000 0.752 319 L CB -0.655 41.358 42.059 -0.076 0.000 0.906 319 L HN 0.339 nan 8.230 nan 0.000 0.436 320 L N 0.012 121.124 121.223 -0.185 0.000 2.079 320 L HA -0.240 4.105 4.340 0.008 0.000 0.210 320 L C 2.532 179.273 176.870 -0.216 0.000 1.081 320 L CA 2.090 56.744 54.840 -0.310 0.000 0.752 320 L CB -0.800 40.961 42.059 -0.497 0.000 0.896 320 L HN 0.416 nan 8.230 nan 0.000 0.433 321 K N -1.368 118.997 120.400 -0.060 0.000 2.103 321 K HA -0.095 4.230 4.320 0.008 0.000 0.204 321 K C 1.850 178.506 176.600 0.094 0.000 1.052 321 K CA 1.454 57.805 56.287 0.105 0.000 0.945 321 K CB 0.013 32.639 32.500 0.211 0.000 0.722 321 K HN 0.293 nan 8.250 nan 0.000 0.443 322 V N 0.600 120.539 119.914 0.041 0.000 2.379 322 V HA -0.197 3.928 4.120 0.008 0.000 0.245 322 V C 2.275 178.391 176.094 0.037 0.000 1.044 322 V CA 1.314 63.642 62.300 0.046 0.000 1.036 322 V CB -0.011 31.827 31.823 0.025 0.000 0.664 322 V HN 0.133 nan 8.190 nan 0.000 0.453 323 V N -0.480 119.424 119.914 -0.016 0.000 2.261 323 V HA -0.295 3.830 4.120 0.008 0.000 0.246 323 V C 2.522 178.634 176.094 0.029 0.000 1.047 323 V CA 2.007 64.287 62.300 -0.032 0.000 1.015 323 V CB -0.612 31.135 31.823 -0.126 0.000 0.642 323 V HN 0.402 nan 8.190 nan 0.000 0.446 324 M N -0.673 118.919 119.600 -0.014 0.000 2.213 324 M HA -0.157 4.328 4.480 0.008 0.000 0.263 324 M C 2.285 178.729 176.300 0.240 0.000 1.062 324 M CA 1.597 56.922 55.300 0.040 0.000 1.105 324 M CB -1.231 31.227 32.600 -0.237 0.000 1.385 324 M HN 0.269 nan 8.290 nan 0.000 0.417 325 R N 1.236 121.868 120.500 0.220 0.000 2.092 325 R HA -0.134 4.211 4.340 0.008 0.000 0.231 325 R C 2.066 178.477 176.300 0.185 0.000 1.119 325 R CA 1.453 57.694 56.100 0.235 0.000 0.970 325 R CB 0.089 30.499 30.300 0.183 0.000 0.864 325 R HN 0.463 nan 8.270 nan 0.000 0.440 326 K N -1.521 118.974 120.400 0.158 0.000 2.367 326 K HA -0.004 4.321 4.320 0.008 0.000 0.194 326 K C 1.457 178.160 176.600 0.172 0.000 1.027 326 K CA 0.252 56.617 56.287 0.131 0.000 1.075 326 K CB 0.028 32.586 32.500 0.097 0.000 0.845 326 K HN 0.057 nan 8.250 nan 0.000 0.529 327 F N 1.943 121.913 119.950 0.033 0.000 2.179 327 F HA 0.269 4.800 4.527 0.007 0.000 0.292 327 F C 0.390 176.212 175.800 0.037 0.000 1.089 327 F CA 0.330 58.336 58.000 0.010 0.000 1.295 327 F CB 0.424 39.414 39.000 -0.016 0.000 1.041 327 F HN -0.133 nan 8.300 nan 0.000 0.487 328 L N 1.751 122.974 121.223 -0.001 0.000 2.470 328 L HA 0.331 4.675 4.340 0.008 0.000 0.256 328 L C -2.599 174.384 176.870 0.188 0.000 1.357 328 L CA -1.932 52.898 54.840 -0.017 0.000 0.902 328 L CB 1.077 43.176 42.059 0.067 0.000 1.121 328 L HN -0.190 nan 8.230 nan 0.000 0.507 329 P HA -0.039 nan 4.420 nan 0.000 0.260 329 P C 0.773 178.151 177.300 0.131 0.000 1.185 329 P CA 0.349 63.528 63.100 0.130 0.000 0.763 329 P CB 1.235 32.980 31.700 0.075 0.000 0.776 330 A N 5.472 128.378 122.820 0.144 0.000 1.883 330 A HA -0.206 4.119 4.320 0.008 0.000 0.217 330 A C 2.171 179.782 177.584 0.046 0.000 1.186 330 A CA 2.184 54.277 52.037 0.093 0.000 0.624 330 A CB -1.541 17.492 19.000 0.054 0.000 0.822 330 A HN 0.510 nan 8.150 nan 0.000 0.444 331 A N -0.232 122.613 122.820 0.043 0.000 1.940 331 A HA -0.236 4.089 4.320 0.008 0.000 0.219 331 A C 1.817 179.410 177.584 0.016 0.000 1.176 331 A CA 1.934 53.986 52.037 0.025 0.000 0.631 331 A CB -0.635 18.385 19.000 0.034 0.000 0.814 331 A HN 0.530 nan 8.150 nan 0.000 0.446 332 D N -0.029 120.386 120.400 0.025 0.000 2.097 332 D HA -0.099 4.545 4.640 0.008 0.000 0.195 332 D C 2.285 178.587 176.300 0.004 0.000 0.989 332 D CA 1.591 55.597 54.000 0.011 0.000 0.827 332 D CB -0.350 40.456 40.800 0.012 0.000 0.966 332 D HN 0.436 nan 8.370 nan 0.000 0.456 333 A N 0.736 123.569 122.820 0.022 0.000 1.933 333 A HA -0.116 4.208 4.320 0.008 0.000 0.218 333 A C 2.438 180.009 177.584 -0.022 0.000 1.175 333 A CA 0.890 52.939 52.037 0.019 0.000 0.628 333 A CB -0.621 18.408 19.000 0.048 0.000 0.814 333 A HN 0.189 nan 8.150 nan 0.000 0.444 334 L N -0.878 120.326 121.223 -0.032 0.000 2.044 334 L HA -0.099 4.245 4.340 0.008 0.000 0.205 334 L C 2.533 179.375 176.870 -0.046 0.000 1.075 334 L CA 0.865 55.674 54.840 -0.051 0.000 0.747 334 L CB -0.656 41.375 42.059 -0.047 0.000 0.903 334 L HN 0.326 nan 8.230 nan 0.000 0.435 335 L N -0.003 121.197 121.223 -0.039 0.000 2.079 335 L HA -0.247 4.098 4.340 0.008 0.000 0.210 335 L C 2.669 179.488 176.870 -0.085 0.000 1.081 335 L CA 1.412 56.218 54.840 -0.056 0.000 0.752 335 L CB -0.525 41.507 42.059 -0.046 0.000 0.896 335 L HN 0.395 nan 8.230 nan 0.000 0.433 336 E N 0.469 120.630 120.200 -0.063 0.000 2.038 336 E HA -0.277 4.078 4.350 0.008 0.000 0.195 336 E C 2.338 178.911 176.600 -0.046 0.000 1.000 336 E CA 1.587 57.948 56.400 -0.066 0.000 0.803 336 E CB -0.076 29.610 29.700 -0.023 0.000 0.750 336 E HN 0.417 nan 8.360 nan 0.000 0.448 337 M N 0.230 119.829 119.600 -0.001 0.000 2.117 337 M HA -0.145 4.340 4.480 0.008 0.000 0.262 337 M C 2.414 178.732 176.300 0.029 0.000 1.065 337 M CA 1.261 56.606 55.300 0.075 0.000 1.114 337 M CB -0.266 32.322 32.600 -0.020 0.000 1.361 337 M HN 0.234 nan 8.290 nan 0.000 0.408 338 I N -0.496 120.049 120.570 -0.043 0.000 2.179 338 I HA -0.253 3.921 4.170 0.008 0.000 0.242 338 I C 2.282 178.328 176.117 -0.119 0.000 1.088 338 I CA 1.139 62.402 61.300 -0.061 0.000 1.357 338 I CB -0.396 37.568 38.000 -0.061 0.000 1.051 338 I HN 0.077 nan 8.210 nan 0.000 0.409 339 V N 0.787 120.571 119.914 -0.217 0.000 2.453 339 V HA -0.183 3.942 4.120 0.008 0.000 0.247 339 V C 2.206 178.055 176.094 -0.408 0.000 1.048 339 V CA 1.413 63.455 62.300 -0.430 0.000 1.049 339 V CB -0.295 31.115 31.823 -0.688 0.000 0.672 339 V HN 0.361 nan 8.190 nan 0.000 0.457 340 L N -1.203 119.825 121.223 -0.324 0.000 2.270 340 L HA 0.021 4.365 4.340 0.008 0.000 0.210 340 L C 2.182 178.759 176.870 -0.488 0.000 1.104 340 L CA 1.293 55.884 54.840 -0.414 0.000 0.804 340 L CB -0.312 41.467 42.059 -0.466 0.000 0.937 340 L HN 0.442 nan 8.230 nan 0.000 0.450 341 H N -1.893 117.120 119.070 -0.096 0.000 2.657 341 H HA 0.265 4.826 4.556 0.009 0.000 0.262 341 H C 0.418 175.718 175.328 -0.046 0.000 0.965 341 H CA -0.478 55.533 56.048 -0.062 0.000 1.184 341 H CB 0.572 30.296 29.762 -0.064 0.000 1.443 341 H HN -0.031 nan 8.280 nan 0.000 0.462 342 L N 4.715 125.968 121.223 0.050 0.000 2.455 342 L HA 0.143 4.488 4.340 0.008 0.000 0.272 342 L C -2.035 174.849 176.870 0.024 0.000 1.174 342 L CA -1.866 52.992 54.840 0.028 0.000 0.869 342 L CB 0.436 42.497 42.059 0.004 0.000 1.130 342 L HN 0.034 nan 8.230 nan 0.000 0.474 343 P HA 0.047 nan 4.420 nan 0.000 0.272 343 P C -0.547 176.774 177.300 0.034 0.000 1.223 343 P CA -0.397 62.739 63.100 0.061 0.000 0.784 343 P CB 0.993 32.762 31.700 0.115 0.000 0.923 344 S N 1.865 117.582 115.700 0.028 0.000 2.669 344 S HA 0.334 4.808 4.470 0.008 0.000 0.270 344 S C -1.763 172.827 174.600 -0.017 0.000 1.225 344 S CA -1.250 56.960 58.200 0.016 0.000 0.991 344 S CB 0.154 63.372 63.200 0.030 0.000 0.987 344 S HN 0.219 nan 8.310 nan 0.000 0.552 345 P HA -0.091 nan 4.420 nan 0.000 0.216 345 P C 1.563 178.824 177.300 -0.065 0.000 1.150 345 P CA 0.752 63.813 63.100 -0.065 0.000 0.843 345 P CB -0.220 31.428 31.700 -0.086 0.000 0.787 346 V N -0.517 119.369 119.914 -0.047 0.000 2.255 346 V HA -0.269 3.855 4.120 0.008 0.000 0.247 346 V C 2.342 178.399 176.094 -0.062 0.000 1.051 346 V CA 2.682 64.956 62.300 -0.044 0.000 1.018 346 V CB -1.883 29.926 31.823 -0.024 0.000 0.641 346 V HN 0.186 nan 8.190 nan 0.000 0.445 347 T N 0.335 114.861 114.554 -0.047 0.000 2.708 347 T HA -0.132 4.223 4.350 0.008 0.000 0.266 347 T C 2.045 176.623 174.700 -0.203 0.000 1.037 347 T CA 1.732 63.810 62.100 -0.036 0.000 1.146 347 T CB -0.446 68.447 68.868 0.042 0.000 0.865 347 T HN 0.566 nan 8.240 nan 0.000 0.435 348 A N 1.270 123.919 122.820 -0.285 0.000 1.897 348 A HA -0.087 4.237 4.320 0.008 0.000 0.215 348 A C 2.209 179.293 177.584 -0.834 0.000 1.181 348 A CA 1.175 52.781 52.037 -0.717 0.000 0.620 348 A CB -0.603 18.251 19.000 -0.242 0.000 0.821 348 A HN 0.526 nan 8.150 nan 0.000 0.443 349 Q N -0.576 119.016 119.800 -0.346 0.000 2.364 349 Q HA -0.044 4.301 4.340 0.008 0.000 0.209 349 Q C 2.141 178.016 176.000 -0.208 0.000 0.977 349 Q CA 0.808 56.501 55.803 -0.183 0.000 0.885 349 Q CB -0.328 28.403 28.738 -0.011 0.000 0.941 349 Q HN 0.708 nan 8.270 nan 0.000 0.464 350 A N 0.572 123.228 122.820 -0.273 0.000 2.014 350 A HA -0.156 4.169 4.320 0.008 0.000 0.218 350 A C 1.398 178.949 177.584 -0.055 0.000 1.163 350 A CA 1.064 53.025 52.037 -0.128 0.000 0.652 350 A CB -0.328 18.640 19.000 -0.054 0.000 0.808 350 A HN 0.606 nan 8.150 nan 0.000 0.449 351 Y N -4.058 116.246 120.300 0.008 0.000 2.500 351 Y HA 0.533 5.088 4.550 0.008 0.000 0.246 351 Y C 1.530 177.428 175.900 -0.003 0.000 1.146 351 Y CA -0.421 57.679 58.100 0.001 0.000 1.230 351 Y CB 0.029 38.490 38.460 0.001 0.000 1.214 351 Y HN 0.057 nan 8.280 nan 0.000 0.526 352 R N 0.242 120.704 120.500 -0.062 0.000 2.397 352 R HA 0.412 4.757 4.340 0.008 0.000 0.241 352 R C 1.950 178.217 176.300 -0.056 0.000 0.914 352 R CA 0.607 56.704 56.100 -0.004 0.000 1.071 352 R CB 0.337 30.610 30.300 -0.045 0.000 1.116 352 R HN 0.397 nan 8.270 nan 0.000 0.524 353 A N 1.532 124.314 122.820 -0.062 0.000 1.841 353 A HA -0.164 4.160 4.320 0.008 0.000 0.214 353 A C 1.734 179.300 177.584 -0.031 0.000 1.195 353 A CA 1.195 53.187 52.037 -0.075 0.000 0.611 353 A CB -0.263 18.693 19.000 -0.072 0.000 0.835 353 A HN 0.250 nan 8.150 nan 0.000 0.443 354 E N -0.744 119.454 120.200 -0.004 0.000 2.130 354 E HA -0.299 4.055 4.350 0.008 0.000 0.196 354 E C 2.222 178.843 176.600 0.035 0.000 0.998 354 E CA 1.586 58.002 56.400 0.027 0.000 0.806 354 E CB -0.162 29.552 29.700 0.023 0.000 0.738 354 E HN 0.806 nan 8.360 nan 0.000 0.459 355 Q N 0.385 120.193 119.800 0.013 0.000 2.230 355 Q HA -0.072 4.272 4.340 0.008 0.000 0.202 355 Q C 1.711 177.695 176.000 -0.027 0.000 0.963 355 Q CA 0.648 56.451 55.803 0.000 0.000 0.866 355 Q CB 0.233 28.976 28.738 0.007 0.000 0.931 355 Q HN 0.286 nan 8.270 nan 0.000 0.452 356 L N 0.246 121.431 121.223 -0.064 0.000 2.628 356 L HA 0.179 4.524 4.340 0.008 0.000 0.229 356 L C -0.410 176.437 176.870 -0.038 0.000 1.137 356 L CA -0.232 54.523 54.840 -0.140 0.000 0.909 356 L CB 0.352 42.192 42.059 -0.366 0.000 1.137 356 L HN 0.173 nan 8.230 nan 0.000 0.470 357 Y N 0.758 120.993 120.300 -0.107 0.000 2.326 357 Y HA 0.244 4.798 4.550 0.007 0.000 0.331 357 Y C 0.653 176.525 175.900 -0.048 0.000 0.962 357 Y CA -0.891 57.171 58.100 -0.063 0.000 1.167 357 Y CB 1.050 39.474 38.460 -0.059 0.000 1.148 357 Y HN -0.038 nan 8.280 nan 0.000 0.463 358 E N 4.872 124.820 120.200 -0.421 0.000 2.545 358 E HA 0.244 4.599 4.350 0.008 0.000 0.271 358 E C 0.113 176.406 176.600 -0.512 0.000 1.508 358 E CA 0.127 56.335 56.400 -0.321 0.000 1.774 358 E CB -0.077 29.511 29.700 -0.187 0.000 1.460 358 E HN 0.888 nan 8.360 nan 0.000 0.449 359 G N 1.195 109.688 108.800 -0.510 0.000 2.706 359 G HA2 0.342 4.306 3.960 0.008 0.000 0.307 359 G HA3 0.342 4.306 3.960 0.008 0.000 0.307 359 G C -2.839 172.063 174.900 0.003 0.000 1.307 359 G CA -0.902 43.879 45.100 -0.531 0.000 0.790 359 G HN -0.069 nan 8.290 nan 0.000 0.503 360 P HA 0.246 nan 4.420 nan 0.000 0.265 360 P C 0.696 178.044 177.300 0.080 0.000 1.193 360 P CA 0.637 63.772 63.100 0.058 0.000 0.765 360 P CB 1.472 33.213 31.700 0.067 0.000 0.823 361 A N 3.517 126.355 122.820 0.031 0.000 1.968 361 A HA -0.147 4.178 4.320 0.008 0.000 0.217 361 A C 1.269 178.829 177.584 -0.040 0.000 1.169 361 A CA 1.545 53.581 52.037 -0.002 0.000 0.638 361 A CB -0.811 18.191 19.000 0.003 0.000 0.812 361 A HN 0.596 nan 8.150 nan 0.000 0.446 362 D N -0.342 120.044 120.400 -0.023 0.000 2.336 362 D HA 0.125 4.769 4.640 0.008 0.000 0.228 362 D C 0.059 176.339 176.300 -0.033 0.000 1.120 362 D CA -0.264 53.719 54.000 -0.028 0.000 0.839 362 D CB -0.524 40.270 40.800 -0.010 0.000 0.932 362 D HN 0.295 nan 8.370 nan 0.000 0.509 363 D N -0.125 120.244 120.400 -0.051 0.000 2.378 363 D HA 0.257 4.902 4.640 0.008 0.000 0.238 363 D C 1.429 177.679 176.300 -0.083 0.000 1.180 363 D CA 0.329 54.303 54.000 -0.043 0.000 0.895 363 D CB 1.132 41.906 40.800 -0.044 0.000 1.192 363 D HN 0.040 nan 8.370 nan 0.000 0.438 364 A N 2.675 125.471 122.820 -0.040 0.000 1.969 364 A HA -0.190 4.135 4.320 0.008 0.000 0.218 364 A C 1.780 179.319 177.584 -0.076 0.000 1.169 364 A CA 1.385 53.398 52.037 -0.041 0.000 0.635 364 A CB -0.472 18.524 19.000 -0.008 0.000 0.810 364 A HN 0.653 nan 8.150 nan 0.000 0.445 365 N N -0.953 117.676 118.700 -0.118 0.000 2.251 365 N HA -0.081 4.664 4.740 0.008 0.000 0.181 365 N C 1.618 176.939 175.510 -0.315 0.000 1.019 365 N CA 1.197 54.153 53.050 -0.157 0.000 0.862 365 N CB -0.838 37.607 38.487 -0.070 0.000 0.992 365 N HN 0.523 nan 8.380 nan 0.000 0.429 366 C N 0.652 119.603 119.300 -0.581 0.000 2.425 366 C HA 0.078 4.543 4.460 0.008 0.000 0.277 366 C C 2.383 177.225 174.990 -0.246 0.000 1.280 366 C CA 0.413 59.092 59.018 -0.564 0.000 1.744 366 C CB -1.185 26.184 27.740 -0.618 0.000 1.989 366 C HN 0.383 nan 8.230 nan 0.000 0.491 367 I N 1.184 121.648 120.570 -0.176 0.000 2.315 367 I HA -0.114 4.060 4.170 0.008 0.000 0.248 367 I C 2.832 178.905 176.117 -0.073 0.000 1.117 367 I CA 1.444 62.686 61.300 -0.097 0.000 1.404 367 I CB -0.540 37.419 38.000 -0.069 0.000 1.071 367 I HN 0.385 nan 8.210 nan 0.000 0.419 368 A N 0.889 123.664 122.820 -0.075 0.000 2.019 368 A HA -0.137 4.187 4.320 0.008 0.000 0.219 368 A C 2.237 179.807 177.584 -0.023 0.000 1.164 368 A CA 1.348 53.360 52.037 -0.040 0.000 0.644 368 A CB -0.660 18.322 19.000 -0.029 0.000 0.805 368 A HN 0.415 nan 8.150 nan 0.000 0.449 369 I N -0.955 119.591 120.570 -0.040 0.000 2.406 369 I HA -0.177 3.998 4.170 0.008 0.000 0.249 369 I C 2.292 178.405 176.117 -0.006 0.000 1.122 369 I CA 1.017 62.321 61.300 0.007 0.000 1.431 369 I CB -0.233 37.752 38.000 -0.025 0.000 1.087 369 I HN 0.257 nan 8.210 nan 0.000 0.424 370 K N 0.868 121.242 120.400 -0.043 0.000 2.097 370 K HA -0.104 4.221 4.320 0.008 0.000 0.206 370 K C 1.333 177.912 176.600 -0.034 0.000 1.049 370 K CA 1.176 57.437 56.287 -0.044 0.000 0.933 370 K CB -0.147 32.326 32.500 -0.044 0.000 0.717 370 K HN 0.303 nan 8.250 nan 0.000 0.442 371 N N 0.220 118.903 118.700 -0.027 0.000 2.336 371 N HA -0.030 4.714 4.740 0.008 0.000 0.189 371 N C 0.140 175.639 175.510 -0.018 0.000 1.113 371 N CA 0.243 53.279 53.050 -0.022 0.000 0.858 371 N CB 0.035 38.510 38.487 -0.020 0.000 0.970 371 N HN 0.142 nan 8.380 nan 0.000 0.471 372 C N 2.261 121.555 119.300 -0.010 0.000 4.167 372 C HA -0.224 4.241 4.460 0.008 0.000 0.302 372 C C -0.024 174.959 174.990 -0.011 0.000 1.384 372 C CA -0.447 58.568 59.018 -0.006 0.000 2.041 372 C CB -2.456 25.271 27.740 -0.022 0.000 1.303 372 C HN 0.386 nan 8.230 nan 0.000 0.718 373 D N 1.531 121.926 120.400 -0.007 0.000 2.338 373 D HA 0.271 4.915 4.640 0.008 0.000 0.255 373 D C -0.272 176.023 176.300 -0.008 0.000 1.237 373 D CA -1.922 52.072 54.000 -0.010 0.000 0.883 373 D CB 0.958 41.752 40.800 -0.011 0.000 1.087 373 D HN 0.406 nan 8.370 nan 0.000 0.485 374 P HA -0.093 nan 4.420 nan 0.000 0.230 374 P C 0.656 177.949 177.300 -0.011 0.000 1.158 374 P CA 0.549 63.640 63.100 -0.015 0.000 0.769 374 P CB 0.483 32.170 31.700 -0.022 0.000 0.807 375 K N -0.425 119.969 120.400 -0.010 0.000 2.284 375 K HA 0.207 4.532 4.320 0.008 0.000 0.198 375 K C 1.559 178.156 176.600 -0.005 0.000 1.048 375 K CA 0.185 56.467 56.287 -0.009 0.000 0.987 375 K CB -0.444 32.050 32.500 -0.010 0.000 0.800 375 K HN 0.072 nan 8.250 nan 0.000 0.486 376 A N 1.940 124.758 122.820 -0.003 0.000 2.261 376 A HA 0.051 4.376 4.320 0.008 0.000 0.275 376 A C -0.075 177.513 177.584 0.006 0.000 1.246 376 A CA -0.182 51.854 52.037 -0.001 0.000 0.810 376 A CB -0.111 18.887 19.000 -0.003 0.000 1.168 376 A HN 0.109 nan 8.150 nan 0.000 0.506 377 D N -0.182 120.224 120.400 0.010 0.000 2.424 377 D HA 0.263 4.907 4.640 0.008 0.000 0.244 377 D C 0.013 176.331 176.300 0.029 0.000 1.134 377 D CA 0.065 54.076 54.000 0.018 0.000 0.881 377 D CB 0.557 41.372 40.800 0.024 0.000 1.191 377 D HN 0.348 nan 8.370 nan 0.000 0.445 378 L N 3.242 124.482 121.223 0.028 0.000 2.540 378 L HA 0.010 4.355 4.340 0.008 0.000 0.276 378 L C -0.227 176.683 176.870 0.068 0.000 1.212 378 L CA 0.695 55.558 54.840 0.038 0.000 0.893 378 L CB 0.077 42.151 42.059 0.024 0.000 1.138 378 L HN 0.261 nan 8.230 nan 0.000 0.491 379 M N 7.641 127.301 119.600 0.100 0.000 2.126 379 M HA 0.287 4.772 4.480 0.008 0.000 0.217 379 M C -0.985 175.446 176.300 0.219 0.000 0.873 379 M CA -0.175 55.221 55.300 0.160 0.000 0.707 379 M CB 0.645 33.352 32.600 0.179 0.000 1.515 379 M HN 0.544 nan 8.290 nan 0.000 0.369 380 L N 1.573 122.896 121.223 0.166 0.000 2.307 380 L HA 0.463 4.808 4.340 0.008 0.000 0.282 380 L C -1.317 175.693 176.870 0.235 0.000 1.051 380 L CA -0.620 54.323 54.840 0.172 0.000 0.804 380 L CB 1.396 43.497 42.059 0.069 0.000 1.197 380 L HN 0.505 nan 8.230 nan 0.000 0.431 381 Y N 4.446 124.854 120.300 0.180 0.000 2.331 381 Y HA 0.486 5.040 4.550 0.008 0.000 0.338 381 Y C -0.789 175.162 175.900 0.085 0.000 0.976 381 Y CA -0.689 57.517 58.100 0.177 0.000 1.137 381 Y CB 1.486 40.147 38.460 0.336 0.000 1.172 381 Y HN 0.249 nan 8.280 nan 0.000 0.478 382 V N 6.915 126.611 119.914 -0.362 0.000 2.348 382 V HA 0.106 4.231 4.120 0.008 0.000 0.270 382 V C 0.625 176.522 176.094 -0.328 0.000 1.037 382 V CA 0.468 62.630 62.300 -0.229 0.000 0.872 382 V CB 0.727 32.464 31.823 -0.143 0.000 1.002 382 V HN 0.998 nan 8.190 nan 0.000 0.464 383 S N 4.106 119.822 115.700 0.025 0.000 2.421 383 S HA 0.131 4.606 4.470 0.008 0.000 0.224 383 S C 0.527 175.186 174.600 0.098 0.000 1.035 383 S CA 0.146 58.467 58.200 0.201 0.000 0.953 383 S CB 0.041 63.510 63.200 0.449 0.000 0.810 383 S HN 0.842 nan 8.310 nan 0.000 0.497 384 K N -0.695 119.776 120.400 0.119 0.000 2.607 384 K HA 0.522 4.847 4.320 0.008 0.000 0.287 384 K C -1.494 175.127 176.600 0.034 0.000 0.996 384 K CA -1.037 55.260 56.287 0.017 0.000 0.876 384 K CB 0.766 33.284 32.500 0.030 0.000 1.496 384 K HN -0.099 nan 8.250 nan 0.000 0.415 385 M N 1.942 121.496 119.600 -0.076 0.000 2.300 385 M HA 0.371 4.855 4.480 0.008 0.000 0.348 385 M C -0.785 175.534 176.300 0.032 0.000 1.151 385 M CA -0.983 54.293 55.300 -0.040 0.000 1.046 385 M CB 1.254 33.704 32.600 -0.249 0.000 1.647 385 M HN 0.531 nan 8.290 nan 0.000 0.451 386 V N 4.828 124.858 119.914 0.194 0.000 2.417 386 V HA 0.392 4.517 4.120 0.008 0.000 0.291 386 V C -2.224 174.031 176.094 0.269 0.000 1.024 386 V CA -1.841 60.569 62.300 0.184 0.000 0.861 386 V CB 1.773 33.666 31.823 0.116 0.000 0.985 386 V HN 0.633 nan 8.190 nan 0.000 0.436 387 P HA 0.214 nan 4.420 nan 0.000 0.265 387 P C -0.120 177.049 177.300 -0.219 0.000 1.193 387 P CA 0.356 63.446 63.100 -0.017 0.000 0.765 387 P CB 0.453 32.195 31.700 0.070 0.000 0.823 388 T N -1.999 112.302 114.554 -0.421 0.000 2.887 388 T HA 0.401 4.756 4.350 0.008 0.000 0.292 388 T C 1.001 175.518 174.700 -0.304 0.000 1.087 388 T CA -0.301 61.546 62.100 -0.421 0.000 1.009 388 T CB 1.205 69.569 68.868 -0.839 0.000 1.203 388 T HN 0.211 nan 8.240 nan 0.000 0.518 389 S N -0.873 114.708 115.700 -0.199 0.000 2.527 389 S HA 0.054 4.529 4.470 0.008 0.000 0.222 389 S C 0.637 175.170 174.600 -0.112 0.000 0.985 389 S CA 0.304 58.430 58.200 -0.124 0.000 0.921 389 S CB -0.571 62.594 63.200 -0.059 0.000 0.772 389 S HN 0.782 nan 8.310 nan 0.000 0.529 390 D N 2.755 123.073 120.400 -0.137 0.000 2.545 390 D HA 0.246 4.891 4.640 0.008 0.000 0.227 390 D C 0.333 176.556 176.300 -0.128 0.000 1.150 390 D CA 0.221 54.172 54.000 -0.081 0.000 1.046 390 D CB -0.794 40.008 40.800 0.003 0.000 1.098 390 D HN 0.407 nan 8.370 nan 0.000 0.502 391 K N 0.517 120.850 120.400 -0.113 0.000 1.968 391 K HA -0.180 4.144 4.320 0.008 0.000 0.393 391 K C 1.018 177.497 176.600 -0.201 0.000 1.775 391 K CA 1.020 57.233 56.287 -0.124 0.000 0.654 391 K CB -1.467 30.976 32.500 -0.096 0.000 1.066 391 K HN 0.349 nan 8.250 nan 0.000 0.701 392 G N 1.260 109.930 108.800 -0.218 0.000 3.284 392 G HA2 0.053 4.017 3.960 0.008 0.000 0.236 392 G HA3 0.053 4.017 3.960 0.008 0.000 0.236 392 G C 0.036 174.617 174.900 -0.532 0.000 1.158 392 G CA -0.199 44.704 45.100 -0.329 0.000 0.774 392 G HN 0.090 nan 8.290 nan 0.000 0.545 393 R N -0.071 120.175 120.500 -0.423 0.000 2.679 393 R HA 0.337 4.681 4.340 0.008 0.000 0.269 393 R C -0.998 174.919 176.300 -0.638 0.000 1.076 393 R CA -0.017 55.858 56.100 -0.374 0.000 1.160 393 R CB 0.389 30.591 30.300 -0.164 0.000 1.054 393 R HN 0.104 nan 8.270 nan 0.000 0.507 394 F N 0.783 120.652 119.950 -0.134 0.000 2.495 394 F HA 0.316 4.847 4.527 0.008 0.000 0.327 394 F C -0.177 175.639 175.800 0.027 0.000 1.103 394 F CA -0.903 57.017 58.000 -0.133 0.000 0.949 394 F CB 1.026 39.984 39.000 -0.071 0.000 1.142 394 F HN 0.211 nan 8.300 nan 0.000 0.457 395 Y N 1.458 121.867 120.300 0.182 0.000 2.320 395 Y HA 0.563 5.118 4.550 0.007 0.000 0.334 395 Y C 0.381 176.369 175.900 0.148 0.000 1.055 395 Y CA -2.196 55.983 58.100 0.131 0.000 1.143 395 Y CB 0.809 39.331 38.460 0.103 0.000 1.193 395 Y HN 0.645 nan 8.280 nan 0.000 0.477 396 A N 4.994 127.980 122.820 0.277 0.000 2.444 396 A HA 0.322 4.646 4.320 0.008 0.000 0.273 396 A C -0.821 176.885 177.584 0.203 0.000 1.136 396 A CA -0.224 51.922 52.037 0.181 0.000 0.799 396 A CB -0.720 18.343 19.000 0.104 0.000 1.081 396 A HN 0.606 nan 8.150 nan 0.000 0.509 397 F N 3.332 123.324 119.950 0.070 0.000 2.404 397 F HA 0.660 5.192 4.527 0.007 0.000 0.339 397 F C 0.573 176.414 175.800 0.068 0.000 1.105 397 F CA 0.792 58.833 58.000 0.068 0.000 1.087 397 F CB 1.258 40.297 39.000 0.066 0.000 1.143 397 F HN 0.829 nan 8.300 nan 0.000 0.491 398 G N 5.039 113.380 108.800 -0.765 0.000 2.435 398 G HA2 0.424 4.389 3.960 0.008 0.000 0.296 398 G HA3 0.424 4.389 3.960 0.008 0.000 0.296 398 G C -2.045 172.583 174.900 -0.453 0.000 1.240 398 G CA -1.155 43.672 45.100 -0.454 0.000 0.872 398 G HN 0.797 nan 8.290 nan 0.000 0.480 399 R N -0.685 119.713 120.500 -0.170 0.000 2.651 399 R HA 0.606 4.951 4.340 0.008 0.000 0.278 399 R C -1.519 174.655 176.300 -0.209 0.000 1.010 399 R CA -0.570 55.365 56.100 -0.275 0.000 0.896 399 R CB 2.291 32.330 30.300 -0.435 0.000 1.211 399 R HN 0.428 nan 8.270 nan 0.000 0.456 400 V N 5.622 125.386 119.914 -0.249 0.000 2.368 400 V HA 0.237 4.361 4.120 0.008 0.000 0.266 400 V C 0.242 176.205 176.094 -0.217 0.000 1.045 400 V CA -0.026 62.195 62.300 -0.133 0.000 0.899 400 V CB 0.750 32.519 31.823 -0.091 0.000 1.006 400 V HN 0.754 nan 8.190 nan 0.000 0.470 401 F N 2.705 122.660 119.950 0.007 0.000 2.698 401 F HA 0.554 5.086 4.527 0.007 0.000 0.295 401 F C 1.178 176.970 175.800 -0.013 0.000 1.124 401 F CA 0.731 58.728 58.000 -0.006 0.000 1.426 401 F CB 0.406 39.413 39.000 0.011 0.000 1.120 401 F HN 0.590 nan 8.300 nan 0.000 0.583 402 A N -0.976 121.929 122.820 0.142 0.000 2.604 402 A HA 0.613 4.937 4.320 0.008 0.000 0.295 402 A C 0.196 177.805 177.584 0.042 0.000 1.067 402 A CA -0.290 51.791 52.037 0.074 0.000 0.683 402 A CB 0.290 19.334 19.000 0.073 0.000 1.281 402 A HN 0.644 nan 8.150 nan 0.000 0.407 403 G N 0.050 108.860 108.800 0.018 0.000 2.697 403 G HA2 0.376 4.340 3.960 0.008 0.000 0.240 403 G HA3 0.376 4.340 3.960 0.008 0.000 0.240 403 G C 0.221 175.119 174.900 -0.004 0.000 1.346 403 G CA 0.578 45.682 45.100 0.007 0.000 0.887 403 G HN 2.831 nan 8.290 nan 0.000 0.569 404 T N -3.453 111.097 114.554 -0.007 0.000 2.881 404 T HA 0.639 4.994 4.350 0.008 0.000 0.290 404 T C -0.162 174.530 174.700 -0.014 0.000 1.000 404 T CA 0.185 62.276 62.100 -0.016 0.000 0.978 404 T CB 1.737 70.593 68.868 -0.020 0.000 0.997 404 T HN 2.040 nan 8.240 nan 0.000 0.443 405 V N 3.376 123.279 119.914 -0.019 0.000 2.649 405 V HA 0.629 4.753 4.120 0.008 0.000 0.292 405 V C -0.521 175.561 176.094 -0.021 0.000 1.055 405 V CA -0.034 62.255 62.300 -0.018 0.000 1.023 405 V CB 0.749 32.559 31.823 -0.022 0.000 0.992 405 V HN 1.021 nan 8.190 nan 0.000 0.480 406 K N 3.863 124.252 120.400 -0.018 0.000 2.477 406 K HA 0.482 4.807 4.320 0.008 0.000 0.255 406 K C -0.788 175.801 176.600 -0.018 0.000 0.952 406 K CA -0.639 55.637 56.287 -0.019 0.000 0.826 406 K CB 2.122 34.613 32.500 -0.015 0.000 1.331 406 K HN 0.580 nan 8.250 nan 0.000 0.437 407 S N 0.596 116.284 115.700 -0.020 0.000 2.516 407 S HA 0.288 4.763 4.470 0.008 0.000 0.282 407 S C 1.167 175.760 174.600 -0.012 0.000 1.286 407 S CA 0.908 59.097 58.200 -0.018 0.000 1.066 407 S CB 0.647 63.834 63.200 -0.021 0.000 0.884 407 S HN 0.959 nan 8.310 nan 0.000 0.491 408 G N 2.385 111.180 108.800 -0.008 0.000 2.284 408 G HA2 -0.296 3.669 3.960 0.008 0.000 0.247 408 G HA3 -0.296 3.669 3.960 0.008 0.000 0.247 408 G C 0.182 175.079 174.900 -0.005 0.000 1.012 408 G CA 0.312 45.409 45.100 -0.004 0.000 0.618 408 G HN 0.739 nan 8.290 nan 0.000 0.521 409 Q N 1.450 121.245 119.800 -0.008 0.000 2.315 409 Q HA 0.306 4.651 4.340 0.008 0.000 0.289 409 Q C 0.000 175.993 176.000 -0.011 0.000 1.044 409 Q CA 0.379 56.176 55.803 -0.010 0.000 0.920 409 Q CB 0.236 28.968 28.738 -0.011 0.000 1.214 409 Q HN 0.471 nan 8.270 nan 0.000 0.392 410 K N 3.046 123.437 120.400 -0.015 0.000 2.227 410 K HA 0.376 4.700 4.320 0.008 0.000 0.280 410 K C -0.990 175.592 176.600 -0.029 0.000 1.041 410 K CA -0.517 55.756 56.287 -0.023 0.000 0.905 410 K CB 1.453 33.939 32.500 -0.024 0.000 1.068 410 K HN 0.368 nan 8.250 nan 0.000 0.470 411 V N 2.834 122.724 119.914 -0.039 0.000 2.914 411 V HA 0.376 4.501 4.120 0.008 0.000 0.314 411 V C -0.172 175.882 176.094 -0.067 0.000 1.084 411 V CA -1.209 61.066 62.300 -0.041 0.000 0.963 411 V CB 1.999 33.806 31.823 -0.027 0.000 1.025 411 V HN 0.699 nan 8.190 nan 0.000 0.432 412 R N 2.617 123.074 120.500 -0.072 0.000 2.308 412 R HA 0.462 4.807 4.340 0.008 0.000 0.325 412 R C -0.660 175.559 176.300 -0.134 0.000 1.161 412 R CA -0.170 55.861 56.100 -0.116 0.000 1.022 412 R CB 0.241 30.464 30.300 -0.128 0.000 1.091 412 R HN 0.564 nan 8.270 nan 0.000 0.497 413 I N 3.982 124.488 120.570 -0.107 0.000 2.406 413 I HA -0.041 4.133 4.170 0.008 0.000 0.293 413 I C 0.362 176.422 176.117 -0.095 0.000 1.101 413 I CA 0.440 61.715 61.300 -0.042 0.000 1.334 413 I CB 0.303 38.333 38.000 0.050 0.000 1.421 413 I HN 0.375 nan 8.210 nan 0.000 0.513 414 Q N 5.550 125.241 119.800 -0.182 0.000 2.400 414 Q HA 0.378 4.723 4.340 0.008 0.000 0.255 414 Q C 0.530 176.510 176.000 -0.033 0.000 1.008 414 Q CA -0.514 55.080 55.803 -0.349 0.000 0.841 414 Q CB 1.863 30.254 28.738 -0.579 0.000 1.220 414 Q HN 0.799 nan 8.270 nan 0.000 0.474 415 G N 2.683 111.545 108.800 0.104 0.000 2.611 415 G HA2 0.099 4.064 3.960 0.008 0.000 0.273 415 G HA3 0.099 4.064 3.960 0.008 0.000 0.273 415 G C -1.758 173.252 174.900 0.182 0.000 1.305 415 G CA -0.987 44.231 45.100 0.197 0.000 1.010 415 G HN 0.360 nan 8.290 nan 0.000 0.509 416 P HA -0.098 nan 4.420 nan 0.000 0.216 416 P C 1.416 178.765 177.300 0.080 0.000 1.153 416 P CA 0.916 64.072 63.100 0.094 0.000 0.848 416 P CB 0.209 31.883 31.700 -0.044 0.000 0.787 417 N N -1.703 117.044 118.700 0.078 0.000 2.370 417 N HA -0.057 4.687 4.740 0.008 0.000 0.198 417 N C -0.247 175.313 175.510 0.084 0.000 1.156 417 N CA -0.259 52.826 53.050 0.059 0.000 0.839 417 N CB -0.717 37.795 38.487 0.041 0.000 0.989 417 N HN 0.106 nan 8.380 nan 0.000 0.468 418 Y N 0.033 120.335 120.300 0.004 0.000 2.336 418 Y HA 0.403 4.958 4.550 0.007 0.000 0.331 418 Y C -0.511 175.378 175.900 -0.018 0.000 1.211 418 Y CA -0.183 57.909 58.100 -0.014 0.000 1.346 418 Y CB 0.758 39.210 38.460 -0.012 0.000 1.271 418 Y HN -0.235 nan 8.280 nan 0.000 0.538 419 V N 7.298 126.650 119.914 -0.935 0.000 2.711 419 V HA 0.289 4.414 4.120 0.008 0.000 0.304 419 V C -2.467 173.081 176.094 -0.910 0.000 1.097 419 V CA -2.074 59.817 62.300 -0.682 0.000 0.906 419 V CB 1.963 33.606 31.823 -0.300 0.000 1.015 419 V HN 0.716 nan 8.190 nan 0.000 0.427 420 P HA 0.273 nan 4.420 nan 0.000 0.257 420 P C 0.845 177.984 177.300 -0.267 0.000 1.189 420 P CA 1.615 64.482 63.100 -0.387 0.000 0.780 420 P CB 0.328 31.792 31.700 -0.395 0.000 0.772 421 G N 2.987 111.658 108.800 -0.215 0.000 3.532 421 G HA2 -0.152 3.812 3.960 0.008 0.000 0.196 421 G HA3 -0.152 3.812 3.960 0.008 0.000 0.196 421 G C -0.195 174.626 174.900 -0.132 0.000 2.074 421 G CA -0.594 44.423 45.100 -0.138 0.000 1.323 421 G HN 0.434 nan 8.290 nan 0.000 0.439 422 K N 1.220 121.513 120.400 -0.179 0.000 2.230 422 K HA 0.590 4.914 4.320 0.008 0.000 0.253 422 K C 0.764 177.290 176.600 -0.124 0.000 1.008 422 K CA 0.215 56.418 56.287 -0.139 0.000 0.910 422 K CB 0.630 33.046 32.500 -0.140 0.000 0.994 422 K HN 0.240 nan 8.250 nan 0.000 0.495 423 K N 1.443 121.808 120.400 -0.059 0.000 2.498 423 K HA 0.100 4.424 4.320 0.008 0.000 0.207 423 K C -0.851 175.732 176.600 -0.029 0.000 1.033 423 K CA -0.085 56.194 56.287 -0.013 0.000 1.138 423 K CB 0.422 32.903 32.500 -0.031 0.000 0.860 423 K HN 0.546 nan 8.250 nan 0.000 0.490 424 D N 1.895 122.275 120.400 -0.032 0.000 2.351 424 D HA -0.013 4.631 4.640 0.008 0.000 0.251 424 D C 0.274 176.598 176.300 0.039 0.000 1.137 424 D CA 0.478 54.466 54.000 -0.021 0.000 0.879 424 D CB 0.748 41.536 40.800 -0.019 0.000 1.181 424 D HN 0.098 nan 8.370 nan 0.000 0.448 425 D N 0.926 121.298 120.400 -0.046 0.000 2.746 425 D HA -0.198 4.446 4.640 0.008 0.000 0.236 425 D C -1.230 174.985 176.300 -0.142 0.000 1.129 425 D CA 0.305 54.295 54.000 -0.016 0.000 0.691 425 D CB -0.854 40.039 40.800 0.154 0.000 1.077 425 D HN 0.261 nan 8.370 nan 0.000 0.432 426 L N 0.471 121.378 121.223 -0.526 0.000 2.386 426 L HA 0.747 5.092 4.340 0.008 0.000 0.271 426 L C -1.392 174.914 176.870 -0.940 0.000 0.993 426 L CA -0.610 53.926 54.840 -0.507 0.000 0.819 426 L CB 1.500 43.454 42.059 -0.175 0.000 1.294 426 L HN -0.037 nan 8.230 nan 0.000 0.414 427 F N 5.910 125.765 119.950 -0.158 0.000 2.828 427 F HA 0.447 4.979 4.527 0.007 0.000 0.355 427 F C -0.245 175.359 175.800 -0.327 0.000 1.200 427 F CA -0.519 57.322 58.000 -0.265 0.000 1.062 427 F CB 1.054 39.810 39.000 -0.407 0.000 1.351 427 F HN 0.216 nan 8.300 nan 0.000 0.504 428 I N 5.106 125.602 120.570 -0.124 0.000 2.293 428 I HA 0.177 4.352 4.170 0.008 0.000 0.299 428 I C 0.152 176.181 176.117 -0.148 0.000 1.153 428 I CA -0.072 61.153 61.300 -0.124 0.000 1.302 428 I CB -0.198 37.750 38.000 -0.086 0.000 1.460 428 I HN 0.452 nan 8.210 nan 0.000 0.552 429 K N 4.328 124.605 120.400 -0.205 0.000 2.270 429 K HA 0.870 5.194 4.320 0.008 0.000 0.248 429 K C -0.591 175.958 176.600 -0.085 0.000 1.076 429 K CA -0.961 55.213 56.287 -0.188 0.000 0.957 429 K CB 1.364 33.630 32.500 -0.390 0.000 1.400 429 K HN 0.381 nan 8.250 nan 0.000 0.573 430 A N 1.078 123.879 122.820 -0.031 0.000 2.356 430 A HA 0.528 4.853 4.320 0.008 0.000 0.310 430 A C -0.515 177.083 177.584 0.024 0.000 1.075 430 A CA -0.739 51.295 52.037 -0.003 0.000 0.746 430 A CB 0.479 19.481 19.000 0.004 0.000 1.221 430 A HN 0.466 nan 8.150 nan 0.000 0.443 431 I N 3.122 123.701 120.570 0.014 0.000 2.505 431 I HA -0.007 4.168 4.170 0.008 0.000 0.287 431 I C 1.381 177.506 176.117 0.013 0.000 1.104 431 I CA 0.558 61.870 61.300 0.020 0.000 1.387 431 I CB -0.135 37.867 38.000 0.003 0.000 1.404 431 I HN 0.879 nan 8.210 nan 0.000 0.528 432 Q N 5.704 125.516 119.800 0.021 0.000 1.942 432 Q HA -0.052 4.292 4.340 0.008 0.000 0.203 432 Q C 0.112 176.102 176.000 -0.017 0.000 0.987 432 Q CA 1.476 57.284 55.803 0.009 0.000 0.844 432 Q CB 0.151 28.899 28.738 0.017 0.000 0.911 432 Q HN 0.561 nan 8.270 nan 0.000 0.423 433 R N -0.205 120.268 120.500 -0.045 0.000 2.574 433 R HA 0.433 4.777 4.340 0.008 0.000 0.288 433 R C -1.604 174.638 176.300 -0.097 0.000 1.004 433 R CA -0.355 55.704 56.100 -0.070 0.000 0.895 433 R CB 2.695 32.943 30.300 -0.087 0.000 1.191 433 R HN 0.001 nan 8.270 nan 0.000 0.444 434 V N 4.989 124.859 119.914 -0.072 0.000 2.383 434 V HA 0.660 4.784 4.120 0.008 0.000 0.275 434 V C -0.441 175.609 176.094 -0.073 0.000 1.036 434 V CA -0.320 61.937 62.300 -0.072 0.000 0.889 434 V CB 1.375 33.170 31.823 -0.047 0.000 0.985 434 V HN 0.590 nan 8.190 nan 0.000 0.459 435 V N 5.189 125.053 119.914 -0.084 0.000 2.914 435 V HA 0.650 4.775 4.120 0.008 0.000 0.314 435 V C -0.463 175.628 176.094 -0.006 0.000 1.084 435 V CA -1.122 61.144 62.300 -0.057 0.000 0.963 435 V CB 1.914 33.675 31.823 -0.104 0.000 1.025 435 V HN 0.790 nan 8.190 nan 0.000 0.432 436 L N 3.912 125.148 121.223 0.022 0.000 2.331 436 L HA 0.454 4.798 4.340 0.008 0.000 0.278 436 L C 0.479 177.410 176.870 0.102 0.000 1.106 436 L CA -0.210 54.663 54.840 0.056 0.000 0.824 436 L CB 1.048 43.139 42.059 0.053 0.000 1.142 436 L HN 0.597 nan 8.230 nan 0.000 0.443 437 M N 4.997 124.681 119.600 0.140 0.000 2.852 437 M HA 0.254 4.739 4.480 0.008 0.000 0.321 437 M C -0.399 175.991 176.300 0.151 0.000 1.337 437 M CA -0.009 55.395 55.300 0.173 0.000 1.406 437 M CB 0.317 33.072 32.600 0.259 0.000 1.152 437 M HN 0.543 nan 8.290 nan 0.000 0.508 438 M N 2.238 121.932 119.600 0.157 0.000 3.706 438 M HA 0.211 4.696 4.480 0.008 0.000 0.204 438 M C 1.177 177.573 176.300 0.161 0.000 1.455 438 M CA 0.270 55.674 55.300 0.173 0.000 1.659 438 M CB -1.532 31.196 32.600 0.214 0.000 1.076 438 M HN 0.941 nan 8.290 nan 0.000 0.577 439 G N 2.376 111.225 108.800 0.081 0.000 2.889 439 G HA2 -0.369 3.596 3.960 0.008 0.000 0.308 439 G HA3 -0.369 3.596 3.960 0.008 0.000 0.308 439 G C 1.067 175.902 174.900 -0.108 0.000 1.248 439 G CA 0.440 45.538 45.100 -0.004 0.000 0.982 439 G HN 0.547 nan 8.290 nan 0.000 0.571 440 R N 0.025 120.342 120.500 -0.304 0.000 2.276 440 R HA 0.371 4.716 4.340 0.008 0.000 0.196 440 R C 0.364 176.277 176.300 -0.645 0.000 0.961 440 R CA 0.342 56.089 56.100 -0.587 0.000 1.024 440 R CB -0.003 29.744 30.300 -0.922 0.000 0.940 440 R HN 0.298 nan 8.270 nan 0.000 0.480 441 F N -1.369 118.608 119.950 0.047 0.000 2.613 441 F HA 0.501 5.032 4.527 0.008 0.000 0.342 441 F C 0.024 175.870 175.800 0.076 0.000 1.066 441 F CA -1.267 56.766 58.000 0.056 0.000 1.002 441 F CB 0.988 40.013 39.000 0.043 0.000 1.319 441 F HN -0.457 nan 8.300 nan 0.000 0.495 442 V N 0.790 120.875 119.914 0.286 0.000 2.638 442 V HA 0.430 4.555 4.120 0.008 0.000 0.306 442 V C -1.061 175.107 176.094 0.124 0.000 1.052 442 V CA -0.659 61.749 62.300 0.181 0.000 0.885 442 V CB 2.010 33.942 31.823 0.182 0.000 0.999 442 V HN 0.605 nan 8.190 nan 0.000 0.424 443 E N 4.994 125.243 120.200 0.081 0.000 2.220 443 E HA 0.398 4.752 4.350 0.008 0.000 0.256 443 E C -2.795 173.814 176.600 0.015 0.000 0.881 443 E CA -2.036 54.392 56.400 0.047 0.000 0.766 443 E CB 2.445 32.175 29.700 0.050 0.000 1.187 443 E HN 0.355 nan 8.360 nan 0.000 0.419 444 P HA 0.160 nan 4.420 nan 0.000 0.271 444 P C -0.139 177.151 177.300 -0.016 0.000 1.220 444 P CA 0.168 63.256 63.100 -0.021 0.000 0.768 444 P CB 0.389 32.077 31.700 -0.020 0.000 0.848 445 I N -1.098 119.458 120.570 -0.024 0.000 3.108 445 I HA 0.512 4.687 4.170 0.008 0.000 0.312 445 I C 0.575 176.678 176.117 -0.025 0.000 1.095 445 I CA -0.911 60.376 61.300 -0.021 0.000 1.000 445 I CB 2.186 40.173 38.000 -0.022 0.000 1.229 445 I HN 0.064 nan 8.210 nan 0.000 0.454 446 D N 0.988 121.375 120.400 -0.022 0.000 2.106 446 D HA -0.066 4.579 4.640 0.008 0.000 0.203 446 D C 0.147 176.433 176.300 -0.024 0.000 0.977 446 D CA 1.851 55.838 54.000 -0.022 0.000 0.844 446 D CB 0.325 41.114 40.800 -0.019 0.000 1.002 446 D HN 0.840 nan 8.370 nan 0.000 0.461 447 D N -1.801 118.583 120.400 -0.026 0.000 2.781 447 D HA 0.343 4.988 4.640 0.008 0.000 0.295 447 D C -1.224 175.056 176.300 -0.032 0.000 1.143 447 D CA -0.803 53.180 54.000 -0.027 0.000 1.076 447 D CB 1.258 42.043 40.800 -0.024 0.000 1.444 447 D HN 0.140 nan 8.370 nan 0.000 0.567 448 C N 1.133 120.412 119.300 -0.035 0.000 3.029 448 C HA 0.407 4.872 4.460 0.008 0.000 0.396 448 C C -2.867 172.097 174.990 -0.045 0.000 1.072 448 C CA -0.774 58.219 59.018 -0.043 0.000 1.269 448 C CB 0.570 28.281 27.740 -0.048 0.000 1.684 448 C HN 0.485 nan 8.230 nan 0.000 0.510 449 P HA 0.284 nan 4.420 nan 0.000 0.271 449 P C -0.072 177.193 177.300 -0.057 0.000 1.233 449 P CA 0.250 63.324 63.100 -0.044 0.000 0.789 449 P CB 0.654 32.328 31.700 -0.043 0.000 0.951 450 A N 0.358 123.147 122.820 -0.051 0.000 2.498 450 A HA 0.445 4.770 4.320 0.008 0.000 0.239 450 A C 1.384 178.910 177.584 -0.097 0.000 1.068 450 A CA 0.797 52.794 52.037 -0.067 0.000 0.766 450 A CB -1.290 17.691 19.000 -0.031 0.000 1.003 450 A HN 0.865 nan 8.150 nan 0.000 0.497 451 G N 1.446 110.148 108.800 -0.163 0.000 2.218 451 G HA2 -0.181 3.783 3.960 0.008 0.000 0.216 451 G HA3 -0.181 3.783 3.960 0.008 0.000 0.216 451 G C 0.047 174.839 174.900 -0.180 0.000 0.994 451 G CA 0.091 45.087 45.100 -0.174 0.000 0.637 451 G HN 0.820 nan 8.290 nan 0.000 0.505 452 N N 0.087 118.686 118.700 -0.167 0.000 2.430 452 N HA 0.622 5.367 4.740 0.008 0.000 0.298 452 N C -0.853 174.551 175.510 -0.177 0.000 1.130 452 N CA -0.550 52.417 53.050 -0.138 0.000 0.894 452 N CB 1.766 40.197 38.487 -0.093 0.000 1.209 452 N HN 0.044 nan 8.380 nan 0.000 0.503 453 I N 1.725 122.208 120.570 -0.146 0.000 2.428 453 I HA 0.330 4.505 4.170 0.008 0.000 0.289 453 I C 0.059 176.086 176.117 -0.149 0.000 1.019 453 I CA -0.046 61.137 61.300 -0.195 0.000 1.351 453 I CB 0.677 38.600 38.000 -0.129 0.000 1.412 453 I HN 0.440 nan 8.210 nan 0.000 0.513 454 I N 3.621 124.060 120.570 -0.219 0.000 3.181 454 I HA 0.737 4.911 4.170 0.008 0.000 0.311 454 I C -0.458 175.597 176.117 -0.104 0.000 1.287 454 I CA -0.275 60.959 61.300 -0.111 0.000 0.958 454 I CB 2.254 40.202 38.000 -0.086 0.000 1.294 454 I HN 0.516 nan 8.210 nan 0.000 0.467 455 G N 3.872 112.670 108.800 -0.003 0.000 2.453 455 G HA2 0.727 4.691 3.960 0.008 0.000 0.323 455 G HA3 0.727 4.691 3.960 0.008 0.000 0.323 455 G C -1.778 173.110 174.900 -0.020 0.000 1.198 455 G CA -0.581 44.548 45.100 0.048 0.000 0.959 455 G HN 0.561 nan 8.290 nan 0.000 0.482 456 L N 0.792 122.016 121.223 0.001 0.000 2.381 456 L HA 0.573 4.917 4.340 0.008 0.000 0.268 456 L C -0.593 176.245 176.870 -0.053 0.000 0.997 456 L CA -1.190 53.630 54.840 -0.033 0.000 0.818 456 L CB 2.458 44.523 42.059 0.010 0.000 1.310 456 L HN 0.179 nan 8.230 nan 0.000 0.416 457 V N 1.102 120.946 119.914 -0.116 0.000 2.417 457 V HA 0.684 4.809 4.120 0.008 0.000 0.291 457 V C 0.575 176.697 176.094 0.045 0.000 1.024 457 V CA -0.061 62.181 62.300 -0.098 0.000 0.861 457 V CB 1.278 32.937 31.823 -0.273 0.000 0.985 457 V HN 1.015 nan 8.190 nan 0.000 0.436 458 G N 4.444 113.320 108.800 0.127 0.000 2.467 458 G HA2 -0.149 3.816 3.960 0.008 0.000 0.242 458 G HA3 -0.149 3.816 3.960 0.008 0.000 0.242 458 G C -0.077 174.933 174.900 0.183 0.000 1.127 458 G CA 0.204 45.380 45.100 0.126 0.000 0.924 458 G HN 0.700 nan 8.290 nan 0.000 0.499 459 I N -0.571 120.094 120.570 0.158 0.000 4.983 459 I HA 0.056 4.231 4.170 0.008 0.000 0.346 459 I C 1.833 177.986 176.117 0.060 0.000 1.261 459 I CA 0.414 61.847 61.300 0.222 0.000 1.406 459 I CB 0.134 38.244 38.000 0.184 0.000 1.529 459 I HN 0.257 nan 8.210 nan 0.000 0.524 460 D N 2.251 122.669 120.400 0.031 0.000 2.354 460 D HA -0.266 4.379 4.640 0.008 0.000 0.216 460 D C 1.471 177.683 176.300 -0.147 0.000 0.970 460 D CA 1.037 55.046 54.000 0.014 0.000 0.905 460 D CB -0.203 40.703 40.800 0.178 0.000 0.903 460 D HN 0.608 nan 8.370 nan 0.000 0.508 461 Q N -1.023 118.528 119.800 -0.414 0.000 2.280 461 Q HA 0.095 4.439 4.340 0.008 0.000 0.201 461 Q C 0.333 175.744 176.000 -0.981 0.000 0.890 461 Q CA -0.063 55.334 55.803 -0.678 0.000 0.947 461 Q CB -0.069 28.178 28.738 -0.818 0.000 1.081 461 Q HN 0.256 nan 8.270 nan 0.000 0.502 462 F N 0.075 119.857 119.950 -0.281 0.000 2.784 462 F HA 0.387 4.918 4.527 0.007 0.000 0.316 462 F C 0.380 176.003 175.800 -0.295 0.000 1.026 462 F CA -0.285 57.376 58.000 -0.564 0.000 1.188 462 F CB 0.936 39.608 39.000 -0.548 0.000 0.999 462 F HN -0.128 nan 8.300 nan 0.000 0.605 463 L N 1.184 122.412 121.223 0.007 0.000 2.325 463 L HA 0.315 4.660 4.340 0.008 0.000 0.281 463 L C 0.768 177.619 176.870 -0.033 0.000 1.004 463 L CA -0.587 54.276 54.840 0.037 0.000 0.823 463 L CB 2.297 44.381 42.059 0.042 0.000 1.236 463 L HN 0.022 nan 8.230 nan 0.000 0.415 464 L N 3.821 125.054 121.223 0.017 0.000 1.994 464 L HA -0.096 4.249 4.340 0.008 0.000 0.208 464 L C 1.693 178.388 176.870 -0.291 0.000 1.071 464 L CA 2.170 56.973 54.840 -0.061 0.000 0.745 464 L CB -0.189 41.980 42.059 0.183 0.000 0.892 464 L HN 0.681 nan 8.230 nan 0.000 0.431 465 K N -3.008 117.083 120.400 -0.515 0.000 2.889 465 K HA 0.206 4.531 4.320 0.008 0.000 0.209 465 K C 0.019 176.325 176.600 -0.490 0.000 1.651 465 K CA 0.390 56.303 56.287 -0.624 0.000 1.170 465 K CB 0.828 32.782 32.500 -0.911 0.000 1.981 465 K HN 0.091 nan 8.250 nan 0.000 0.522 466 T N 0.703 114.860 114.554 -0.661 0.000 2.907 466 T HA 0.640 4.994 4.350 0.008 0.000 0.284 466 T C -0.131 174.560 174.700 -0.015 0.000 1.004 466 T CA -0.487 61.475 62.100 -0.231 0.000 1.063 466 T CB 1.756 70.607 68.868 -0.029 0.000 0.992 466 T HN 0.441 nan 8.240 nan 0.000 0.483 467 G N 0.496 109.220 108.800 -0.127 0.000 2.523 467 G HA2 0.544 4.509 3.960 0.008 0.000 0.291 467 G HA3 0.544 4.509 3.960 0.008 0.000 0.291 467 G C -1.478 173.337 174.900 -0.143 0.000 1.450 467 G CA -0.700 44.371 45.100 -0.049 0.000 0.790 467 G HN 0.648 nan 8.290 nan 0.000 0.496 468 T N 0.740 115.266 114.554 -0.048 0.000 2.840 468 T HA 0.559 4.913 4.350 0.008 0.000 0.287 468 T C -0.830 173.861 174.700 -0.014 0.000 0.991 468 T CA -0.359 61.732 62.100 -0.015 0.000 0.964 468 T CB 1.417 70.314 68.868 0.049 0.000 0.954 468 T HN 0.317 nan 8.240 nan 0.000 0.438 469 L N 4.030 125.260 121.223 0.013 0.000 2.282 469 L HA 0.691 5.036 4.340 0.008 0.000 0.288 469 L C 0.931 177.814 176.870 0.022 0.000 1.033 469 L CA -0.078 54.763 54.840 0.000 0.000 0.807 469 L CB 1.376 43.440 42.059 0.008 0.000 1.209 469 L HN 0.904 nan 8.230 nan 0.000 0.423 470 T N -1.958 112.592 114.554 -0.008 0.000 2.742 470 T HA 0.658 5.012 4.350 0.008 0.000 0.282 470 T C 0.289 174.987 174.700 -0.002 0.000 1.025 470 T CA -0.293 61.816 62.100 0.016 0.000 1.020 470 T CB 1.819 70.703 68.868 0.026 0.000 1.317 470 T HN 0.366 nan 8.240 nan 0.000 0.538 471 T N 0.104 114.665 114.554 0.011 0.000 3.130 471 T HA 0.359 4.713 4.350 0.008 0.000 0.288 471 T C 0.300 175.005 174.700 0.008 0.000 0.936 471 T CA -0.127 61.974 62.100 0.002 0.000 0.897 471 T CB 0.384 69.255 68.868 0.005 0.000 1.178 471 T HN 0.686 nan 8.240 nan 0.000 0.543 472 S N 1.381 117.094 115.700 0.022 0.000 2.462 472 S HA 0.277 4.752 4.470 0.008 0.000 0.294 472 S C 0.635 175.252 174.600 0.029 0.000 1.144 472 S CA -0.549 57.667 58.200 0.028 0.000 1.088 472 S CB 1.166 64.392 63.200 0.043 0.000 1.009 472 S HN 0.276 nan 8.310 nan 0.000 0.484 473 E N 2.191 122.405 120.200 0.023 0.000 2.512 473 E HA -0.002 4.353 4.350 0.008 0.000 0.195 473 E C 0.512 177.127 176.600 0.025 0.000 1.083 473 E CA 0.507 56.923 56.400 0.027 0.000 0.873 473 E CB 0.020 29.729 29.700 0.015 0.000 0.897 473 E HN 0.738 nan 8.360 nan 0.000 0.514 474 T N -2.470 112.098 114.554 0.023 0.000 3.442 474 T HA 0.528 4.882 4.350 0.008 0.000 0.295 474 T C -0.051 174.650 174.700 0.001 0.000 1.007 474 T CA -0.606 61.489 62.100 -0.008 0.000 0.962 474 T CB 0.717 69.595 68.868 0.016 0.000 1.187 474 T HN 0.057 nan 8.240 nan 0.000 0.490 475 A N 1.323 124.166 122.820 0.040 0.000 2.288 475 A HA 0.730 5.055 4.320 0.008 0.000 0.320 475 A C -0.495 177.139 177.584 0.082 0.000 1.217 475 A CA -0.681 51.448 52.037 0.154 0.000 0.840 475 A CB 0.347 19.459 19.000 0.186 0.000 1.179 475 A HN 0.646 nan 8.150 nan 0.000 0.504 476 H N 1.259 120.406 119.070 0.128 0.000 2.546 476 H HA 0.264 4.825 4.556 0.008 0.000 0.365 476 H C 0.299 175.570 175.328 -0.096 0.000 1.220 476 H CA -0.111 55.900 56.048 -0.061 0.000 1.386 476 H CB 0.442 30.015 29.762 -0.314 0.000 1.510 476 H HN 0.637 nan 8.280 nan 0.000 0.591 477 N N 0.922 119.676 118.700 0.090 0.000 2.479 477 N HA 0.036 4.781 4.740 0.008 0.000 0.257 477 N C -0.072 175.416 175.510 -0.036 0.000 1.232 477 N CA 0.088 53.178 53.050 0.067 0.000 0.920 477 N CB 0.442 38.998 38.487 0.115 0.000 1.105 477 N HN 0.450 nan 8.380 nan 0.000 0.444 478 M N 0.897 120.541 119.600 0.073 0.000 2.241 478 M HA 0.105 4.590 4.480 0.008 0.000 0.335 478 M C 0.918 177.295 176.300 0.127 0.000 1.122 478 M CA -0.523 54.831 55.300 0.091 0.000 1.164 478 M CB 0.455 33.186 32.600 0.219 0.000 1.459 478 M HN 0.144 nan 8.290 nan 0.000 0.461 479 K N 3.081 123.514 120.400 0.055 0.000 2.325 479 K HA -0.037 4.288 4.320 0.008 0.000 0.258 479 K C -1.009 175.703 176.600 0.187 0.000 1.250 479 K CA 0.146 56.474 56.287 0.068 0.000 1.260 479 K CB -0.925 31.581 32.500 0.011 0.000 0.785 479 K HN 0.592 nan 8.250 nan 0.000 0.501 480 V N 2.730 122.736 119.914 0.152 0.000 2.614 480 V HA 0.280 4.404 4.120 0.008 0.000 0.291 480 V C 0.609 176.818 176.094 0.192 0.000 1.049 480 V CA -0.578 61.833 62.300 0.186 0.000 1.038 480 V CB 0.911 32.812 31.823 0.130 0.000 0.980 480 V HN 0.567 nan 8.190 nan 0.000 0.481 481 M N 4.642 124.393 119.600 0.251 0.000 2.069 481 M HA 0.383 4.867 4.480 0.008 0.000 0.349 481 M C 0.207 176.686 176.300 0.298 0.000 1.194 481 M CA -0.072 55.376 55.300 0.247 0.000 1.081 481 M CB 0.695 33.450 32.600 0.259 0.000 1.500 481 M HN 0.669 nan 8.290 nan 0.000 0.438 482 K N 3.913 124.420 120.400 0.179 0.000 2.489 482 K HA 0.267 4.592 4.320 0.008 0.000 0.278 482 K C -0.828 175.892 176.600 0.200 0.000 1.000 482 K CA 0.580 56.926 56.287 0.098 0.000 1.012 482 K CB 0.229 32.753 32.500 0.040 0.000 0.903 482 K HN 0.518 nan 8.250 nan 0.000 0.485 483 F N -1.720 118.255 119.950 0.042 0.000 2.668 483 F HA 0.554 5.085 4.527 0.007 0.000 0.309 483 F C -0.911 174.916 175.800 0.045 0.000 1.117 483 F CA -1.020 56.997 58.000 0.027 0.000 0.951 483 F CB 1.743 40.746 39.000 0.005 0.000 1.323 483 F HN 0.300 nan 8.300 nan 0.000 0.451 484 S N 1.016 116.833 115.700 0.196 0.000 2.540 484 S HA 0.510 4.984 4.470 0.008 0.000 0.275 484 S C -0.634 174.043 174.600 0.128 0.000 1.123 484 S CA -0.275 57.998 58.200 0.121 0.000 0.907 484 S CB 2.028 65.322 63.200 0.157 0.000 1.081 484 S HN 1.146 nan 8.310 nan 0.000 0.476 485 V N 4.069 124.038 119.914 0.091 0.000 3.608 485 V HA 0.211 4.335 4.120 0.008 0.000 0.269 485 V C 0.710 176.790 176.094 -0.023 0.000 1.245 485 V CA 1.039 63.365 62.300 0.044 0.000 1.138 485 V CB -0.195 31.661 31.823 0.056 0.000 0.841 485 V HN 0.961 nan 8.190 nan 0.000 0.451 486 S N 2.812 118.451 115.700 -0.103 0.000 2.670 486 S HA 0.142 4.616 4.470 0.008 0.000 0.308 486 S C -2.423 172.056 174.600 -0.202 0.000 1.232 486 S CA -0.770 57.278 58.200 -0.254 0.000 1.126 486 S CB 0.236 63.004 63.200 -0.721 0.000 0.897 486 S HN 0.403 nan 8.310 nan 0.000 0.508 487 P HA 0.143 nan 4.420 nan 0.000 0.268 487 P C 0.972 178.248 177.300 -0.040 0.000 1.485 487 P CA -0.479 62.617 63.100 -0.007 0.000 1.102 487 P CB 0.403 32.140 31.700 0.061 0.000 1.501 488 V N 2.469 122.332 119.914 -0.086 0.000 3.052 488 V HA 0.059 4.183 4.120 0.008 0.000 0.254 488 V C 0.741 176.824 176.094 -0.019 0.000 1.100 488 V CA 0.573 62.785 62.300 -0.147 0.000 1.112 488 V CB -0.433 31.206 31.823 -0.308 0.000 0.738 488 V HN 0.223 nan 8.190 nan 0.000 0.469 489 V N 0.376 120.332 119.914 0.069 0.000 2.823 489 V HA 0.857 4.982 4.120 0.008 0.000 0.312 489 V C -0.937 175.250 176.094 0.154 0.000 1.072 489 V CA -0.503 61.886 62.300 0.149 0.000 0.937 489 V CB 1.453 33.391 31.823 0.191 0.000 1.013 489 V HN 0.765 nan 8.190 nan 0.000 0.430 490 Q N 2.627 122.525 119.800 0.163 0.000 2.534 490 Q HA 0.887 5.232 4.340 0.008 0.000 0.290 490 Q C -1.467 174.593 176.000 0.099 0.000 0.991 490 Q CA -0.968 54.910 55.803 0.125 0.000 0.783 490 Q CB 2.677 31.497 28.738 0.136 0.000 1.470 490 Q HN 1.624 nan 8.270 nan 0.000 0.406 491 V N -3.477 116.468 119.914 0.052 0.000 3.159 491 V HA 0.964 5.088 4.120 0.008 0.000 0.308 491 V C -0.976 175.117 176.094 -0.002 0.000 1.190 491 V CA -0.681 61.637 62.300 0.030 0.000 1.037 491 V CB 1.519 33.358 31.823 0.027 0.000 1.060 491 V HN 1.070 nan 8.190 nan 0.000 0.437 492 A N 1.789 124.608 122.820 -0.002 0.000 2.274 492 A HA 0.798 5.122 4.320 0.008 0.000 0.309 492 A C -0.366 177.217 177.584 -0.002 0.000 1.226 492 A CA -0.548 51.484 52.037 -0.007 0.000 0.853 492 A CB 0.805 19.806 19.000 0.000 0.000 1.146 492 A HN 1.304 nan 8.150 nan 0.000 0.518 493 V N 2.714 122.631 119.914 0.005 0.000 2.427 493 V HA 0.559 4.684 4.120 0.008 0.000 0.286 493 V C 0.108 176.209 176.094 0.011 0.000 1.034 493 V CA -0.324 61.973 62.300 -0.005 0.000 0.893 493 V CB 1.315 33.121 31.823 -0.029 0.000 0.982 493 V HN 0.992 nan 8.190 nan 0.000 0.452 494 E N 2.966 123.160 120.200 -0.010 0.000 2.321 494 E HA 0.492 4.847 4.350 0.008 0.000 0.281 494 E C -1.018 175.567 176.600 -0.025 0.000 0.910 494 E CA -0.715 55.684 56.400 -0.002 0.000 0.770 494 E CB 2.420 32.129 29.700 0.015 0.000 1.225 494 E HN 0.615 nan 8.360 nan 0.000 0.417 495 V N 2.064 121.958 119.914 -0.033 0.000 2.715 495 V HA 0.226 4.350 4.120 0.008 0.000 0.299 495 V C 0.911 176.992 176.094 -0.022 0.000 1.054 495 V CA -0.058 62.220 62.300 -0.037 0.000 1.077 495 V CB 1.302 33.099 31.823 -0.043 0.000 0.972 495 V HN 0.796 nan 8.190 nan 0.000 0.484 496 K N 1.568 121.954 120.400 -0.023 0.000 2.167 496 K HA 0.108 4.433 4.320 0.008 0.000 0.203 496 K C 0.128 176.720 176.600 -0.012 0.000 1.052 496 K CA 0.763 57.040 56.287 -0.016 0.000 0.956 496 K CB 0.001 32.491 32.500 -0.017 0.000 0.735 496 K HN 0.716 nan 8.250 nan 0.000 0.451 497 N N 0.353 119.044 118.700 -0.015 0.000 2.444 497 N HA 0.159 4.903 4.740 0.008 0.000 0.262 497 N C 0.089 175.592 175.510 -0.011 0.000 0.974 497 N CA -0.091 52.952 53.050 -0.012 0.000 0.933 497 N CB 1.736 40.216 38.487 -0.012 0.000 1.137 497 N HN -0.005 nan 8.380 nan 0.000 0.498 498 A N 2.806 125.622 122.820 -0.006 0.000 1.986 498 A HA -0.232 4.093 4.320 0.008 0.000 0.220 498 A C 1.693 179.274 177.584 -0.005 0.000 1.171 498 A CA 1.412 53.447 52.037 -0.003 0.000 0.640 498 A CB -0.208 18.792 19.000 0.001 0.000 0.811 498 A HN 0.559 nan 8.150 nan 0.000 0.451 499 N N 0.656 119.352 118.700 -0.007 0.000 2.309 499 N HA -0.091 4.654 4.740 0.008 0.000 0.182 499 N C 0.376 175.879 175.510 -0.012 0.000 1.018 499 N CA 1.269 54.315 53.050 -0.007 0.000 0.876 499 N CB -0.330 38.154 38.487 -0.006 0.000 0.972 499 N HN 0.458 nan 8.380 nan 0.000 0.434 500 D N 0.338 120.728 120.400 -0.017 0.000 2.336 500 D HA -0.022 4.623 4.640 0.008 0.000 0.229 500 D C 1.837 178.115 176.300 -0.036 0.000 1.061 500 D CA -0.153 53.832 54.000 -0.025 0.000 0.875 500 D CB -0.010 40.772 40.800 -0.029 0.000 0.904 500 D HN 0.123 nan 8.370 nan 0.000 0.525 501 L N 2.261 123.466 121.223 -0.030 0.000 1.990 501 L HA -0.122 4.222 4.340 0.008 0.000 0.213 501 L C -0.814 176.025 176.870 -0.051 0.000 1.072 501 L CA 2.215 57.030 54.840 -0.041 0.000 0.755 501 L CB -1.495 40.559 42.059 -0.009 0.000 0.889 501 L HN -0.010 nan 8.230 nan 0.000 0.432 502 P HA -0.221 nan 4.420 nan 0.000 0.216 502 P C 1.186 178.466 177.300 -0.033 0.000 1.150 502 P CA 1.792 64.879 63.100 -0.022 0.000 0.837 502 P CB -0.158 31.536 31.700 -0.010 0.000 0.786 503 K N -0.898 119.480 120.400 -0.037 0.000 2.211 503 K HA -0.079 4.246 4.320 0.008 0.000 0.203 503 K C 2.110 178.678 176.600 -0.053 0.000 1.050 503 K CA 0.681 56.947 56.287 -0.035 0.000 0.945 503 K CB -0.512 31.970 32.500 -0.030 0.000 0.732 503 K HN 0.093 nan 8.250 nan 0.000 0.451 504 L N 0.645 121.815 121.223 -0.089 0.000 2.131 504 L HA -0.065 4.280 4.340 0.008 0.000 0.206 504 L C 1.879 178.648 176.870 -0.168 0.000 1.087 504 L CA 1.246 56.003 54.840 -0.138 0.000 0.767 504 L CB -0.126 41.812 42.059 -0.201 0.000 0.917 504 L HN -0.168 nan 8.230 nan 0.000 0.441 505 V N -0.093 119.728 119.914 -0.155 0.000 2.343 505 V HA -0.243 3.881 4.120 0.008 0.000 0.247 505 V C 2.614 178.685 176.094 -0.039 0.000 1.051 505 V CA 1.922 64.163 62.300 -0.098 0.000 1.036 505 V CB -0.607 31.203 31.823 -0.022 0.000 0.654 505 V HN 0.503 nan 8.190 nan 0.000 0.451 506 E N 0.610 120.792 120.200 -0.030 0.000 2.230 506 E HA 0.004 4.358 4.350 0.008 0.000 0.192 506 E C 2.167 178.766 176.600 -0.003 0.000 0.987 506 E CA 1.040 57.434 56.400 -0.009 0.000 0.841 506 E CB -0.451 29.246 29.700 -0.004 0.000 0.783 506 E HN 0.458 nan 8.360 nan 0.000 0.481 507 G N 0.591 109.385 108.800 -0.010 0.000 2.408 507 G HA2 -0.200 3.765 3.960 0.008 0.000 0.217 507 G HA3 -0.200 3.765 3.960 0.008 0.000 0.217 507 G C 1.505 176.391 174.900 -0.023 0.000 1.150 507 G CA 0.732 45.846 45.100 0.022 0.000 0.776 507 G HN 0.285 nan 8.290 nan 0.000 0.542 508 L N -0.188 121.003 121.223 -0.054 0.000 2.093 508 L HA 0.039 4.383 4.340 0.008 0.000 0.208 508 L C 2.761 179.601 176.870 -0.049 0.000 1.085 508 L CA 1.132 55.935 54.840 -0.062 0.000 0.755 508 L CB -0.253 41.781 42.059 -0.041 0.000 0.904 508 L HN 0.169 nan 8.230 nan 0.000 0.435 509 K N 0.062 120.448 120.400 -0.024 0.000 2.288 509 K HA -0.162 4.163 4.320 0.008 0.000 0.201 509 K C 2.267 178.849 176.600 -0.029 0.000 1.048 509 K CA 0.794 57.073 56.287 -0.013 0.000 0.956 509 K CB 0.164 32.664 32.500 0.001 0.000 0.746 509 K HN 0.143 nan 8.250 nan 0.000 0.461 510 R N 0.238 120.718 120.500 -0.034 0.000 2.080 510 R HA -0.043 4.301 4.340 0.008 0.000 0.222 510 R C 2.256 178.446 176.300 -0.183 0.000 1.107 510 R CA 0.593 56.689 56.100 -0.007 0.000 0.980 510 R CB -0.131 30.259 30.300 0.151 0.000 0.879 510 R HN 0.125 nan 8.270 nan 0.000 0.439 511 L N 0.571 121.529 121.223 -0.440 0.000 2.083 511 L HA -0.081 4.263 4.340 0.008 0.000 0.209 511 L C 2.044 178.762 176.870 -0.253 0.000 1.083 511 L CA 1.946 56.374 54.840 -0.687 0.000 0.752 511 L CB -0.547 41.206 42.059 -0.510 0.000 0.899 511 L HN 0.085 nan 8.230 nan 0.000 0.433 512 S N -1.520 114.109 115.700 -0.119 0.000 2.555 512 S HA -0.050 4.424 4.470 0.008 0.000 0.230 512 S C 1.799 176.429 174.600 0.051 0.000 0.978 512 S CA 0.547 58.740 58.200 -0.012 0.000 0.934 512 S CB -0.311 62.896 63.200 0.012 0.000 0.766 512 S HN 0.431 nan 8.310 nan 0.000 0.533 513 K N 0.779 121.190 120.400 0.018 0.000 2.348 513 K HA 0.188 4.513 4.320 0.008 0.000 0.194 513 K C 1.906 178.581 176.600 0.124 0.000 1.052 513 K CA 0.831 57.142 56.287 0.040 0.000 1.004 513 K CB -0.005 32.453 32.500 -0.071 0.000 0.873 513 K HN 0.500 nan 8.250 nan 0.000 0.523 514 S N 0.526 116.291 115.700 0.108 0.000 2.603 514 S HA 0.016 4.490 4.470 0.008 0.000 0.220 514 S C 0.072 174.798 174.600 0.210 0.000 0.967 514 S CA 0.032 58.331 58.200 0.165 0.000 0.920 514 S CB 0.085 63.388 63.200 0.171 0.000 0.773 514 S HN 0.061 nan 8.310 nan 0.000 0.529 515 D N 0.750 121.276 120.400 0.211 0.000 2.688 515 D HA 0.259 4.903 4.640 0.008 0.000 0.210 515 D C -2.560 173.760 176.300 0.033 0.000 1.333 515 D CA -1.528 52.528 54.000 0.093 0.000 0.920 515 D CB 2.072 42.938 40.800 0.109 0.000 1.554 515 D HN -0.140 nan 8.370 nan 0.000 0.579 516 P HA 0.004 nan 4.420 nan 0.000 0.230 516 P C 0.936 178.180 177.300 -0.094 0.000 1.158 516 P CA 0.400 63.344 63.100 -0.259 0.000 0.769 516 P CB 0.260 31.592 31.700 -0.613 0.000 0.807 517 C N -0.511 118.761 119.300 -0.046 0.000 2.906 517 C HA 0.248 4.713 4.460 0.008 0.000 0.274 517 C C 1.078 176.154 174.990 0.143 0.000 1.257 517 C CA -0.229 58.789 59.018 -0.000 0.000 1.695 517 C CB -0.715 26.953 27.740 -0.119 0.000 1.958 517 C HN 0.005 nan 8.230 nan 0.000 0.619 518 V N 1.876 121.885 119.914 0.160 0.000 2.532 518 V HA 0.511 4.636 4.120 0.008 0.000 0.295 518 V C -0.442 175.716 176.094 0.107 0.000 1.041 518 V CA -0.358 62.040 62.300 0.164 0.000 0.926 518 V CB 1.742 33.615 31.823 0.083 0.000 0.992 518 V HN 0.139 nan 8.190 nan 0.000 0.457 519 L N 4.849 126.143 121.223 0.119 0.000 2.376 519 L HA 0.725 5.069 4.340 0.008 0.000 0.275 519 L C 0.031 177.000 176.870 0.164 0.000 0.987 519 L CA 0.096 55.023 54.840 0.145 0.000 0.828 519 L CB 2.007 44.170 42.059 0.174 0.000 1.249 519 L HN 0.840 nan 8.230 nan 0.000 0.409 520 T N 2.137 116.777 114.554 0.144 0.000 2.791 520 T HA 0.718 5.073 4.350 0.008 0.000 0.288 520 T C -0.619 174.187 174.700 0.177 0.000 0.999 520 T CA -0.442 61.716 62.100 0.096 0.000 0.952 520 T CB 0.785 69.677 68.868 0.040 0.000 0.938 520 T HN 0.577 nan 8.240 nan 0.000 0.444 521 Y N 0.769 121.092 120.300 0.037 0.000 2.677 521 Y HA 0.815 5.369 4.550 0.007 0.000 0.334 521 Y C -1.236 174.674 175.900 0.017 0.000 1.154 521 Y CA -1.989 56.124 58.100 0.023 0.000 1.070 521 Y CB 1.659 40.120 38.460 0.001 0.000 1.294 521 Y HN 0.519 nan 8.280 nan 0.000 0.475 522 M N 2.975 122.654 119.600 0.132 0.000 2.243 522 M HA 0.437 4.922 4.480 0.008 0.000 0.324 522 M C -0.398 175.999 176.300 0.160 0.000 1.031 522 M CA -0.928 54.366 55.300 -0.010 0.000 0.949 522 M CB 2.152 34.712 32.600 -0.068 0.000 1.615 522 M HN 0.856 nan 8.290 nan 0.000 0.430 523 S N 1.250 117.000 115.700 0.083 0.000 2.608 523 S HA 0.161 4.636 4.470 0.008 0.000 0.261 523 S C 0.819 175.501 174.600 0.137 0.000 1.314 523 S CA -0.463 57.836 58.200 0.165 0.000 0.992 523 S CB 1.009 64.269 63.200 0.100 0.000 0.935 523 S HN 0.805 nan 8.310 nan 0.000 0.564 524 E N 0.892 121.190 120.200 0.162 0.000 2.097 524 E HA -0.192 4.162 4.350 0.008 0.000 0.196 524 E C 2.238 178.838 176.600 -0.001 0.000 1.000 524 E CA 1.704 58.150 56.400 0.078 0.000 0.804 524 E CB -0.332 29.380 29.700 0.019 0.000 0.740 524 E HN 0.885 nan 8.360 nan 0.000 0.454 525 S N -1.188 114.517 115.700 0.009 0.000 2.469 525 S HA -0.030 4.444 4.470 0.008 0.000 0.238 525 S C 1.613 176.201 174.600 -0.019 0.000 0.998 525 S CA 0.931 59.128 58.200 -0.004 0.000 0.957 525 S CB 0.288 63.500 63.200 0.021 0.000 0.764 525 S HN 0.443 nan 8.310 nan 0.000 0.514 526 G N 0.316 109.098 108.800 -0.030 0.000 2.201 526 G HA2 -0.210 3.754 3.960 0.008 0.000 0.212 526 G HA3 -0.210 3.754 3.960 0.008 0.000 0.212 526 G C -0.250 174.551 174.900 -0.165 0.000 0.994 526 G CA -0.087 44.963 45.100 -0.084 0.000 0.644 526 G HN 0.581 nan 8.290 nan 0.000 0.508 527 E N 1.360 121.501 120.200 -0.099 0.000 2.442 527 E HA 0.170 4.525 4.350 0.008 0.000 0.262 527 E C -0.030 176.448 176.600 -0.203 0.000 1.004 527 E CA -0.068 56.274 56.400 -0.097 0.000 0.928 527 E CB 0.242 29.927 29.700 -0.023 0.000 0.937 527 E HN 0.450 nan 8.360 nan 0.000 0.446 528 H N 3.357 122.386 119.070 -0.068 0.000 2.864 528 H HA 0.130 4.691 4.556 0.008 0.000 0.281 528 H C -0.096 175.129 175.328 -0.173 0.000 1.093 528 H CA -0.135 55.849 56.048 -0.107 0.000 1.453 528 H CB 0.272 29.992 29.762 -0.069 0.000 1.462 528 H HN 0.215 nan 8.280 nan 0.000 0.480 529 I N 4.304 124.726 120.570 -0.247 0.000 2.412 529 I HA 0.153 4.327 4.170 0.008 0.000 0.296 529 I C 0.340 176.287 176.117 -0.284 0.000 0.987 529 I CA -0.785 60.286 61.300 -0.382 0.000 1.180 529 I CB 1.746 39.213 38.000 -0.889 0.000 1.340 529 I HN 0.179 nan 8.210 nan 0.000 0.455 530 V N 5.365 125.202 119.914 -0.128 0.000 2.407 530 V HA 0.706 4.831 4.120 0.008 0.000 0.291 530 V C 0.222 176.327 176.094 0.018 0.000 1.018 530 V CA -0.566 61.707 62.300 -0.044 0.000 0.842 530 V CB 1.499 33.302 31.823 -0.034 0.000 0.996 530 V HN 0.894 nan 8.190 nan 0.000 0.426 531 A N 3.778 126.649 122.820 0.084 0.000 2.350 531 A HA 0.987 5.312 4.320 0.008 0.000 0.324 531 A C 0.212 177.881 177.584 0.142 0.000 1.118 531 A CA 0.002 52.121 52.037 0.136 0.000 0.783 531 A CB 1.741 20.873 19.000 0.219 0.000 1.236 531 A HN 0.996 nan 8.150 nan 0.000 0.457 532 G N -0.812 108.088 108.800 0.166 0.000 3.140 532 G HA2 0.505 4.470 3.960 0.008 0.000 0.271 532 G HA3 0.505 4.470 3.960 0.008 0.000 0.271 532 G C 0.581 175.641 174.900 0.266 0.000 1.370 532 G CA 0.406 45.686 45.100 0.301 0.000 1.014 532 G HN 1.108 nan 8.290 nan 0.000 0.541 533 T N -3.444 111.301 114.554 0.318 0.000 3.060 533 T HA 0.506 4.861 4.350 0.008 0.000 0.249 533 T C 0.893 175.700 174.700 0.178 0.000 1.079 533 T CA 0.780 62.946 62.100 0.110 0.000 1.013 533 T CB 0.298 69.114 68.868 -0.087 0.000 0.975 533 T HN 1.421 nan 8.240 nan 0.000 0.518 534 G N -0.059 108.858 108.800 0.195 0.000 2.559 534 G HA2 0.413 4.377 3.960 0.008 0.000 0.291 534 G HA3 0.413 4.377 3.960 0.008 0.000 0.291 534 G C -0.038 174.903 174.900 0.067 0.000 1.424 534 G CA -0.168 44.992 45.100 0.100 0.000 0.786 534 G HN 0.007 nan 8.290 nan 0.000 0.485 535 E N -0.650 119.517 120.200 -0.056 0.000 2.038 535 E HA -0.187 4.167 4.350 0.008 0.000 0.195 535 E C 2.331 178.958 176.600 0.046 0.000 1.000 535 E CA 1.689 58.084 56.400 -0.008 0.000 0.803 535 E CB -0.049 29.599 29.700 -0.086 0.000 0.750 535 E HN 0.333 nan 8.360 nan 0.000 0.448 536 L N 1.212 122.435 121.223 -0.000 0.000 2.005 536 L HA -0.197 4.147 4.340 0.008 0.000 0.207 536 L C 2.523 179.441 176.870 0.081 0.000 1.072 536 L CA 2.339 57.175 54.840 -0.008 0.000 0.744 536 L CB -0.948 41.032 42.059 -0.133 0.000 0.895 536 L HN 0.335 nan 8.230 nan 0.000 0.433 537 H N -0.765 118.324 119.070 0.032 0.000 2.319 537 H HA -0.227 4.334 4.556 0.007 0.000 0.297 537 H C 2.137 177.515 175.328 0.082 0.000 1.097 537 H CA 2.373 58.472 56.048 0.086 0.000 1.285 537 H CB 0.016 29.817 29.762 0.066 0.000 1.368 537 H HN 0.406 nan 8.280 nan 0.000 0.495 538 L N 1.430 122.630 121.223 -0.039 0.000 2.141 538 L HA -0.090 4.255 4.340 0.008 0.000 0.209 538 L C 2.506 179.354 176.870 -0.038 0.000 1.094 538 L CA 2.027 56.821 54.840 -0.078 0.000 0.763 538 L CB -0.660 41.431 42.059 0.053 0.000 0.908 538 L HN 0.241 nan 8.230 nan 0.000 0.437 539 E N 0.483 120.693 120.200 0.016 0.000 2.031 539 E HA -0.239 4.115 4.350 0.008 0.000 0.193 539 E C 2.156 178.775 176.600 0.032 0.000 0.994 539 E CA 2.284 58.704 56.400 0.034 0.000 0.800 539 E CB -0.554 29.173 29.700 0.045 0.000 0.752 539 E HN 0.664 nan 8.360 nan 0.000 0.447 540 I N -1.380 119.218 120.570 0.047 0.000 2.394 540 I HA -0.205 3.970 4.170 0.008 0.000 0.251 540 I C 2.017 178.150 176.117 0.027 0.000 1.136 540 I CA 1.064 62.408 61.300 0.073 0.000 1.425 540 I CB -0.622 37.468 38.000 0.150 0.000 1.079 540 I HN 0.105 nan 8.210 nan 0.000 0.425 541 C N 1.475 120.743 119.300 -0.053 0.000 2.446 541 C HA -0.005 4.459 4.460 0.008 0.000 0.277 541 C C 2.786 177.764 174.990 -0.021 0.000 1.275 541 C CA 0.596 59.571 59.018 -0.073 0.000 1.727 541 C CB -1.070 26.556 27.740 -0.190 0.000 2.010 541 C HN 0.580 nan 8.230 nan 0.000 0.486 542 L N 0.290 121.502 121.223 -0.019 0.000 2.201 542 L HA -0.165 4.180 4.340 0.008 0.000 0.212 542 L C 2.676 179.545 176.870 -0.002 0.000 1.105 542 L CA 1.293 56.125 54.840 -0.014 0.000 0.775 542 L CB -0.662 41.390 42.059 -0.010 0.000 0.913 542 L HN 0.502 nan 8.230 nan 0.000 0.440 543 Q N -0.402 119.428 119.800 0.049 0.000 2.137 543 Q HA -0.141 4.203 4.340 0.008 0.000 0.198 543 Q C 1.585 177.697 176.000 0.188 0.000 0.960 543 Q CA 1.008 56.890 55.803 0.132 0.000 0.847 543 Q CB 0.044 28.887 28.738 0.174 0.000 0.915 543 Q HN 0.402 nan 8.270 nan 0.000 0.448 544 D N 0.820 121.306 120.400 0.143 0.000 2.178 544 D HA -0.129 4.515 4.640 0.008 0.000 0.201 544 D C 1.742 178.179 176.300 0.228 0.000 0.980 544 D CA 0.675 54.783 54.000 0.179 0.000 0.842 544 D CB 0.020 40.954 40.800 0.222 0.000 0.948 544 D HN 0.080 nan 8.370 nan 0.000 0.472 545 L N 0.900 122.218 121.223 0.159 0.000 2.044 545 L HA -0.038 4.307 4.340 0.008 0.000 0.205 545 L C 1.887 178.753 176.870 -0.006 0.000 1.075 545 L CA 1.669 56.575 54.840 0.111 0.000 0.747 545 L CB -0.340 41.726 42.059 0.011 0.000 0.903 545 L HN -0.085 nan 8.230 nan 0.000 0.435 546 E N -2.129 117.991 120.200 -0.133 0.000 2.482 546 E HA -0.159 4.196 4.350 0.008 0.000 0.196 546 E C 1.078 177.433 176.600 -0.409 0.000 1.047 546 E CA 0.670 56.891 56.400 -0.297 0.000 0.869 546 E CB 0.066 29.517 29.700 -0.416 0.000 0.836 546 E HN 0.729 nan 8.360 nan 0.000 0.520 547 H N -1.758 117.310 119.070 -0.004 0.000 3.091 547 H HA 0.145 4.705 4.556 0.008 0.000 0.249 547 H C 0.667 175.963 175.328 -0.053 0.000 0.985 547 H CA 0.216 56.249 56.048 -0.024 0.000 1.177 547 H CB 0.737 30.485 29.762 -0.023 0.000 1.456 547 H HN 0.023 nan 8.280 nan 0.000 0.467 548 D N -0.962 119.448 120.400 0.017 0.000 3.203 548 D HA 0.019 4.663 4.640 0.008 0.000 0.249 548 D C 1.738 177.949 176.300 -0.148 0.000 1.522 548 D CA 0.287 54.213 54.000 -0.123 0.000 1.248 548 D CB -0.272 40.358 40.800 -0.283 0.000 1.126 548 D HN 0.275 nan 8.370 nan 0.000 0.326 549 H N 0.842 119.905 119.070 -0.012 0.000 2.422 549 H HA 0.048 4.609 4.556 0.007 0.000 0.298 549 H C 1.435 176.743 175.328 -0.034 0.000 1.098 549 H CA 1.608 57.641 56.048 -0.024 0.000 1.315 549 H CB 0.440 30.186 29.762 -0.026 0.000 1.382 549 H HN 0.143 nan 8.280 nan 0.000 0.523 550 A N -0.843 122.015 122.820 0.063 0.000 2.080 550 A HA 0.448 4.772 4.320 0.008 0.000 0.211 550 A C 2.074 179.647 177.584 -0.017 0.000 1.708 550 A CA 1.089 53.128 52.037 0.004 0.000 0.825 550 A CB -0.091 18.895 19.000 -0.024 0.000 1.261 550 A HN 0.397 nan 8.150 nan 0.000 0.573 551 G N -1.153 107.628 108.800 -0.031 0.000 2.175 551 G HA2 -0.082 3.882 3.960 0.008 0.000 0.244 551 G HA3 -0.082 3.882 3.960 0.008 0.000 0.244 551 G C 0.458 175.336 174.900 -0.035 0.000 0.982 551 G CA 0.722 45.807 45.100 -0.025 0.000 0.641 551 G HN 1.841 nan 8.290 nan 0.000 0.527 552 V N -2.172 117.711 119.914 -0.051 0.000 2.713 552 V HA 0.843 4.968 4.120 0.008 0.000 0.307 552 V C -2.177 173.878 176.094 -0.065 0.000 1.052 552 V CA -2.865 59.406 62.300 -0.047 0.000 0.967 552 V CB 1.620 33.417 31.823 -0.043 0.000 1.019 552 V HN 0.007 nan 8.190 nan 0.000 0.459 553 P HA 0.297 nan 4.420 nan 0.000 0.261 553 P C -0.730 176.538 177.300 -0.054 0.000 1.203 553 P CA 0.442 63.511 63.100 -0.051 0.000 0.767 553 P CB 0.147 31.830 31.700 -0.029 0.000 0.785 554 L N 3.442 124.625 121.223 -0.067 0.000 2.331 554 L HA 0.463 4.807 4.340 0.008 0.000 0.275 554 L C 0.782 177.626 176.870 -0.043 0.000 1.022 554 L CA -0.852 53.953 54.840 -0.059 0.000 0.812 554 L CB 1.838 43.852 42.059 -0.074 0.000 1.257 554 L HN 0.226 nan 8.230 nan 0.000 0.435 555 K N 4.317 124.698 120.400 -0.032 0.000 2.281 555 K HA 0.538 4.863 4.320 0.008 0.000 0.272 555 K C -1.214 175.374 176.600 -0.020 0.000 1.048 555 K CA -0.340 55.934 56.287 -0.022 0.000 0.898 555 K CB 0.648 33.139 32.500 -0.015 0.000 1.128 555 K HN 0.520 nan 8.250 nan 0.000 0.460 556 I N 3.663 124.221 120.570 -0.019 0.000 2.433 556 I HA 0.123 4.298 4.170 0.008 0.000 0.292 556 I C 0.309 176.419 176.117 -0.012 0.000 1.001 556 I CA -0.853 60.438 61.300 -0.015 0.000 1.119 556 I CB 2.045 40.035 38.000 -0.016 0.000 1.289 556 I HN 0.673 nan 8.210 nan 0.000 0.438 557 S N 5.853 121.546 115.700 -0.011 0.000 2.603 557 S HA 0.468 4.942 4.470 0.008 0.000 0.268 557 S C -2.486 172.107 174.600 -0.013 0.000 1.317 557 S CA -1.196 56.995 58.200 -0.015 0.000 1.012 557 S CB 0.526 63.714 63.200 -0.020 0.000 0.926 557 S HN 0.298 nan 8.310 nan 0.000 0.539 558 P HA 0.229 nan 4.420 nan 0.000 0.266 558 P C -2.495 174.787 177.300 -0.030 0.000 1.193 558 P CA -0.854 62.223 63.100 -0.039 0.000 0.770 558 P CB -0.729 30.933 31.700 -0.064 0.000 0.836 559 P HA 0.031 nan 4.420 nan 0.000 0.264 559 P C -0.763 176.541 177.300 0.007 0.000 1.193 559 P CA 0.543 63.669 63.100 0.043 0.000 0.763 559 P CB 0.331 32.117 31.700 0.143 0.000 0.810 560 V N 4.604 124.594 119.914 0.126 0.000 2.604 560 V HA 0.251 4.375 4.120 0.008 0.000 0.305 560 V C 0.163 176.407 176.094 0.251 0.000 1.043 560 V CA -0.833 61.563 62.300 0.161 0.000 0.888 560 V CB 2.425 34.335 31.823 0.145 0.000 0.995 560 V HN 0.203 nan 8.190 nan 0.000 0.429 561 V N 3.459 123.547 119.914 0.289 0.000 2.583 561 V HA 0.560 4.684 4.120 0.008 0.000 0.287 561 V C 0.714 176.874 176.094 0.111 0.000 1.051 561 V CA -0.305 62.099 62.300 0.173 0.000 1.010 561 V CB 1.492 33.358 31.823 0.071 0.000 0.988 561 V HN 1.018 nan 8.190 nan 0.000 0.478 562 A N 5.073 127.908 122.820 0.025 0.000 2.362 562 A HA 0.665 4.990 4.320 0.008 0.000 0.276 562 A C -0.839 176.783 177.584 0.063 0.000 1.153 562 A CA -0.115 51.987 52.037 0.110 0.000 0.813 562 A CB -0.000 19.082 19.000 0.136 0.000 1.081 562 A HN 0.737 nan 8.150 nan 0.000 0.507 563 Y N 1.071 121.502 120.300 0.218 0.000 2.654 563 Y HA 0.719 5.274 4.550 0.008 0.000 0.327 563 Y C 0.663 176.551 175.900 -0.020 0.000 1.122 563 Y CA -0.849 57.411 58.100 0.266 0.000 1.227 563 Y CB 1.285 39.983 38.460 0.395 0.000 1.370 563 Y HN 0.510 nan 8.280 nan 0.000 0.528 564 R N 0.847 121.415 120.500 0.114 0.000 2.628 564 R HA 0.337 4.682 4.340 0.008 0.000 0.288 564 R C -1.436 174.892 176.300 0.047 0.000 0.980 564 R CA -0.889 55.106 56.100 -0.174 0.000 0.891 564 R CB 1.844 31.783 30.300 -0.602 0.000 1.188 564 R HN 0.759 nan 8.270 nan 0.000 0.450 565 E N 0.980 121.189 120.200 0.016 0.000 2.197 565 E HA 0.388 4.743 4.350 0.008 0.000 0.281 565 E C -0.310 176.458 176.600 0.280 0.000 0.995 565 E CA -0.338 56.173 56.400 0.184 0.000 0.808 565 E CB 2.147 31.865 29.700 0.030 0.000 1.093 565 E HN 0.346 nan 8.360 nan 0.000 0.394 566 T N 0.826 115.582 114.554 0.336 0.000 2.754 566 T HA 0.555 4.910 4.350 0.008 0.000 0.296 566 T C -1.501 173.118 174.700 -0.135 0.000 1.205 566 T CA -0.661 61.532 62.100 0.155 0.000 1.009 566 T CB 1.612 70.514 68.868 0.057 0.000 1.368 566 T HN 0.312 nan 8.240 nan 0.000 0.509 567 V N 0.453 120.233 119.914 -0.224 0.000 2.914 567 V HA 0.849 4.974 4.120 0.008 0.000 0.314 567 V C -0.450 175.557 176.094 -0.146 0.000 1.084 567 V CA -0.739 61.371 62.300 -0.316 0.000 0.963 567 V CB 1.834 33.387 31.823 -0.450 0.000 1.025 567 V HN 1.042 nan 8.190 nan 0.000 0.432 568 E N 1.603 121.728 120.200 -0.124 0.000 3.306 568 E HA 0.540 4.895 4.350 0.008 0.000 0.197 568 E C -0.145 176.411 176.600 -0.074 0.000 0.980 568 E CA 0.098 56.455 56.400 -0.072 0.000 1.259 568 E CB 0.652 30.327 29.700 -0.041 0.000 1.112 568 E HN 1.170 nan 8.360 nan 0.000 0.458 569 S N -0.658 114.984 115.700 -0.097 0.000 2.615 569 S HA 0.244 4.718 4.470 0.008 0.000 0.268 569 S C -1.024 173.515 174.600 -0.102 0.000 1.146 569 S CA -1.060 57.088 58.200 -0.088 0.000 0.818 569 S CB 1.589 64.740 63.200 -0.081 0.000 1.111 569 S HN 0.221 nan 8.310 nan 0.000 0.465 570 E N 0.814 120.959 120.200 -0.092 0.000 2.373 570 E HA 0.450 4.804 4.350 0.008 0.000 0.263 570 E C -0.459 176.079 176.600 -0.103 0.000 1.073 570 E CA -0.480 55.864 56.400 -0.093 0.000 0.894 570 E CB 0.810 30.460 29.700 -0.085 0.000 1.008 570 E HN 0.634 nan 8.360 nan 0.000 0.420 571 S N 2.006 117.645 115.700 -0.102 0.000 2.575 571 S HA -0.062 4.413 4.470 0.008 0.000 0.295 571 S C 1.148 175.665 174.600 -0.138 0.000 1.267 571 S CA -0.122 58.005 58.200 -0.122 0.000 1.074 571 S CB 0.837 63.980 63.200 -0.094 0.000 0.829 571 S HN 0.552 nan 8.310 nan 0.000 0.497 572 S N 2.567 118.159 115.700 -0.181 0.000 2.392 572 S HA -0.179 4.296 4.470 0.008 0.000 0.232 572 S C 0.892 175.388 174.600 -0.173 0.000 1.041 572 S CA 1.393 59.486 58.200 -0.179 0.000 1.026 572 S CB -0.261 62.804 63.200 -0.225 0.000 0.845 572 S HN 0.910 nan 8.310 nan 0.000 0.465 573 Q N -1.121 118.550 119.800 -0.216 0.000 2.590 573 Q HA 0.435 4.780 4.340 0.008 0.000 0.295 573 Q C -1.446 174.503 176.000 -0.086 0.000 0.973 573 Q CA -0.890 54.825 55.803 -0.148 0.000 0.768 573 Q CB 0.773 29.403 28.738 -0.180 0.000 1.479 573 Q HN -0.118 nan 8.270 nan 0.000 0.419 574 T N 1.451 116.010 114.554 0.008 0.000 2.908 574 T HA 0.321 4.676 4.350 0.008 0.000 0.301 574 T C -0.098 174.701 174.700 0.164 0.000 1.019 574 T CA 0.515 62.664 62.100 0.081 0.000 1.152 574 T CB 0.307 69.254 68.868 0.131 0.000 0.966 574 T HN 0.566 nan 8.240 nan 0.000 0.540 575 A N 3.581 126.475 122.820 0.124 0.000 2.328 575 A HA 0.642 4.967 4.320 0.008 0.000 0.284 575 A C -0.411 177.139 177.584 -0.057 0.000 1.160 575 A CA -0.605 51.515 52.037 0.138 0.000 0.818 575 A CB 0.193 19.266 19.000 0.121 0.000 1.087 575 A HN 0.709 nan 8.150 nan 0.000 0.504 576 L N 2.342 123.320 121.223 -0.407 0.000 2.381 576 L HA 0.850 5.195 4.340 0.008 0.000 0.268 576 L C -0.356 176.115 176.870 -0.665 0.000 0.997 576 L CA 0.095 54.539 54.840 -0.661 0.000 0.818 576 L CB 2.238 43.870 42.059 -0.711 0.000 1.310 576 L HN 0.679 nan 8.230 nan 0.000 0.416 577 S N 3.236 118.658 115.700 -0.463 0.000 2.533 577 S HA 0.623 5.097 4.470 0.008 0.000 0.271 577 S C -1.312 173.152 174.600 -0.226 0.000 1.143 577 S CA -0.800 57.231 58.200 -0.280 0.000 0.891 577 S CB 1.234 64.347 63.200 -0.145 0.000 1.105 577 S HN 0.719 nan 8.310 nan 0.000 0.468 578 K N 1.649 121.958 120.400 -0.153 0.000 2.123 578 K HA 0.541 4.865 4.320 0.008 0.000 0.248 578 K C 0.118 176.675 176.600 -0.071 0.000 0.969 578 K CA -0.672 55.551 56.287 -0.107 0.000 0.882 578 K CB 1.536 33.983 32.500 -0.088 0.000 1.080 578 K HN 0.795 nan 8.250 nan 0.000 0.441 579 S N 0.750 116.420 115.700 -0.050 0.000 2.614 579 S HA 0.166 4.641 4.470 0.008 0.000 0.265 579 S C -1.981 172.588 174.600 -0.051 0.000 1.303 579 S CA -1.144 57.034 58.200 -0.036 0.000 1.000 579 S CB 0.976 64.171 63.200 -0.009 0.000 0.935 579 S HN 0.317 nan 8.310 nan 0.000 0.551 580 P HA -0.163 nan 4.420 nan 0.000 0.216 580 P C 1.007 178.262 177.300 -0.074 0.000 1.153 580 P CA 1.520 64.588 63.100 -0.054 0.000 0.858 580 P CB -0.260 31.414 31.700 -0.043 0.000 0.789 581 N N -1.046 117.608 118.700 -0.076 0.000 2.461 581 N HA -0.081 4.663 4.740 0.008 0.000 0.188 581 N C 0.322 175.639 175.510 -0.320 0.000 1.134 581 N CA 0.518 53.492 53.050 -0.126 0.000 0.878 581 N CB -0.646 37.832 38.487 -0.016 0.000 0.972 581 N HN -0.074 nan 8.380 nan 0.000 0.456 582 K N -1.078 119.191 120.400 -0.218 0.000 3.391 582 K HA -0.227 4.097 4.320 0.008 0.000 0.307 582 K C -0.280 176.175 176.600 -0.241 0.000 1.304 582 K CA 1.179 57.326 56.287 -0.232 0.000 0.904 582 K CB -2.647 29.700 32.500 -0.256 0.000 1.293 582 K HN 0.681 nan 8.250 nan 0.000 0.470 583 H N -0.483 118.594 119.070 0.013 0.000 2.652 583 H HA 0.213 4.774 4.556 0.008 0.000 0.274 583 H C 0.216 175.592 175.328 0.080 0.000 1.021 583 H CA -0.223 55.863 56.048 0.063 0.000 1.187 583 H CB 0.528 30.319 29.762 0.048 0.000 1.505 583 H HN 0.142 nan 8.280 nan 0.000 0.530 584 N N 1.077 119.853 118.700 0.127 0.000 2.249 584 N HA 0.375 5.119 4.740 0.008 0.000 0.296 584 N C -0.889 174.638 175.510 0.028 0.000 1.051 584 N CA -0.561 52.546 53.050 0.095 0.000 0.815 584 N CB 2.762 41.300 38.487 0.084 0.000 1.487 584 N HN 0.134 nan 8.380 nan 0.000 0.475 585 R N 1.213 121.730 120.500 0.029 0.000 2.628 585 R HA 0.610 4.954 4.340 0.008 0.000 0.288 585 R C -0.681 175.571 176.300 -0.080 0.000 0.980 585 R CA -0.624 55.425 56.100 -0.086 0.000 0.891 585 R CB 2.225 32.463 30.300 -0.104 0.000 1.188 585 R HN 0.481 nan 8.270 nan 0.000 0.450 586 I N 3.324 123.767 120.570 -0.212 0.000 2.418 586 I HA 0.331 4.505 4.170 0.008 0.000 0.287 586 I C -1.020 174.943 176.117 -0.257 0.000 1.008 586 I CA -0.795 60.436 61.300 -0.115 0.000 1.104 586 I CB 1.355 39.322 38.000 -0.054 0.000 1.264 586 I HN 0.475 nan 8.210 nan 0.000 0.438 587 Y N 7.164 127.438 120.300 -0.043 0.000 2.331 587 Y HA 0.647 5.202 4.550 0.008 0.000 0.338 587 Y C -0.095 175.776 175.900 -0.050 0.000 0.992 587 Y CA -0.971 57.103 58.100 -0.044 0.000 1.121 587 Y CB 1.462 39.902 38.460 -0.035 0.000 1.184 587 Y HN 0.401 nan 8.280 nan 0.000 0.469 588 L N 0.232 121.505 121.223 0.084 0.000 2.510 588 L HA 0.823 5.167 4.340 0.008 0.000 0.252 588 L C -1.503 175.386 176.870 0.031 0.000 1.091 588 L CA -1.405 53.454 54.840 0.031 0.000 0.888 588 L CB 2.287 44.349 42.059 0.006 0.000 1.507 588 L HN 0.460 nan 8.230 nan 0.000 0.407 589 K N 0.149 120.551 120.400 0.004 0.000 2.525 589 K HA 0.873 5.198 4.320 0.008 0.000 0.254 589 K C -1.577 175.019 176.600 -0.008 0.000 0.934 589 K CA -0.333 55.952 56.287 -0.005 0.000 0.802 589 K CB 2.214 34.698 32.500 -0.028 0.000 1.295 589 K HN 1.128 nan 8.250 nan 0.000 0.433 590 A N 2.888 125.707 122.820 -0.002 0.000 2.295 590 A HA 0.642 4.967 4.320 0.008 0.000 0.318 590 A C -1.071 176.484 177.584 -0.047 0.000 1.134 590 A CA -0.337 51.702 52.037 0.003 0.000 0.827 590 A CB 0.636 19.654 19.000 0.029 0.000 1.136 590 A HN 0.835 nan 8.150 nan 0.000 0.493 591 E N 1.144 121.318 120.200 -0.043 0.000 2.375 591 E HA 0.520 4.874 4.350 0.008 0.000 0.280 591 E C -3.191 173.384 176.600 -0.042 0.000 0.972 591 E CA -2.109 54.251 56.400 -0.066 0.000 0.782 591 E CB 1.988 31.638 29.700 -0.084 0.000 1.229 591 E HN 0.344 nan 8.360 nan 0.000 0.439 592 P HA 0.123 nan 4.420 nan 0.000 0.268 592 P C -0.327 176.984 177.300 0.019 0.000 1.205 592 P CA 0.073 63.161 63.100 -0.020 0.000 0.771 592 P CB 0.733 32.414 31.700 -0.031 0.000 0.858 593 I N 2.677 123.284 120.570 0.062 0.000 2.385 593 I HA 0.179 4.354 4.170 0.008 0.000 0.294 593 I C 0.771 176.952 176.117 0.107 0.000 0.988 593 I CA -0.761 60.611 61.300 0.120 0.000 1.265 593 I CB 0.722 38.812 38.000 0.149 0.000 1.388 593 I HN 0.170 nan 8.210 nan 0.000 0.480 594 D N 5.630 126.114 120.400 0.140 0.000 2.472 594 D HA -0.049 4.596 4.640 0.008 0.000 0.237 594 D C 1.067 177.434 176.300 0.111 0.000 1.141 594 D CA 0.097 54.171 54.000 0.123 0.000 0.875 594 D CB 1.077 41.976 40.800 0.166 0.000 1.192 594 D HN 0.489 nan 8.370 nan 0.000 0.450 595 E N 1.640 121.897 120.200 0.095 0.000 2.118 595 E HA -0.191 4.163 4.350 0.008 0.000 0.195 595 E C 1.549 178.211 176.600 0.104 0.000 0.992 595 E CA 0.987 57.444 56.400 0.094 0.000 0.804 595 E CB 0.160 29.908 29.700 0.080 0.000 0.741 595 E HN 0.529 nan 8.360 nan 0.000 0.458 596 E N -0.015 120.263 120.200 0.130 0.000 2.058 596 E HA -0.163 4.192 4.350 0.008 0.000 0.194 596 E C 2.200 178.865 176.600 0.108 0.000 0.997 596 E CA 1.450 57.960 56.400 0.183 0.000 0.801 596 E CB 0.026 29.900 29.700 0.290 0.000 0.746 596 E HN 0.095 nan 8.360 nan 0.000 0.450 597 V N 0.854 120.790 119.914 0.037 0.000 2.358 597 V HA -0.207 3.918 4.120 0.008 0.000 0.246 597 V C 2.288 178.325 176.094 -0.094 0.000 1.047 597 V CA 1.696 63.889 62.300 -0.178 0.000 1.035 597 V CB -0.368 31.419 31.823 -0.060 0.000 0.658 597 V HN 0.170 nan 8.190 nan 0.000 0.452 598 S N 0.282 115.992 115.700 0.016 0.000 2.382 598 S HA -0.123 4.352 4.470 0.008 0.000 0.228 598 S C 1.870 176.509 174.600 0.065 0.000 1.027 598 S CA 1.268 59.498 58.200 0.050 0.000 0.991 598 S CB -0.320 62.925 63.200 0.076 0.000 0.823 598 S HN 0.330 nan 8.310 nan 0.000 0.469 599 L N 1.532 122.799 121.223 0.073 0.000 2.093 599 L HA 0.062 4.407 4.340 0.008 0.000 0.208 599 L C 2.589 179.493 176.870 0.058 0.000 1.085 599 L CA 1.478 56.372 54.840 0.090 0.000 0.755 599 L CB -1.397 40.722 42.059 0.101 0.000 0.904 599 L HN 0.286 nan 8.230 nan 0.000 0.435 600 A N -0.465 122.355 122.820 0.000 0.000 1.902 600 A HA -0.170 4.155 4.320 0.008 0.000 0.217 600 A C 2.334 179.899 177.584 -0.032 0.000 1.181 600 A CA 1.663 53.674 52.037 -0.044 0.000 0.623 600 A CB -0.659 18.175 19.000 -0.277 0.000 0.818 600 A HN 0.364 nan 8.150 nan 0.000 0.443 601 I N -0.508 120.050 120.570 -0.022 0.000 2.179 601 I HA -0.255 3.920 4.170 0.008 0.000 0.242 601 I C 2.411 178.558 176.117 0.049 0.000 1.088 601 I CA 1.678 63.005 61.300 0.047 0.000 1.357 601 I CB -0.493 37.591 38.000 0.139 0.000 1.051 601 I HN 0.406 nan 8.210 nan 0.000 0.409 602 E N 0.702 120.943 120.200 0.069 0.000 2.204 602 E HA -0.158 4.197 4.350 0.008 0.000 0.195 602 E C 1.015 177.658 176.600 0.072 0.000 0.990 602 E CA 0.754 57.203 56.400 0.082 0.000 0.821 602 E CB -0.064 29.710 29.700 0.125 0.000 0.750 602 E HN 0.436 nan 8.360 nan 0.000 0.477 603 N N -0.600 118.138 118.700 0.063 0.000 2.268 603 N HA 0.064 4.809 4.740 0.008 0.000 0.204 603 N C 0.819 176.361 175.510 0.054 0.000 1.124 603 N CA 0.759 53.846 53.050 0.063 0.000 0.838 603 N CB 1.221 39.746 38.487 0.063 0.000 0.994 603 N HN 0.261 nan 8.380 nan 0.000 0.489 604 G N 1.091 109.913 108.800 0.036 0.000 2.284 604 G HA2 -0.352 3.612 3.960 0.008 0.000 0.261 604 G HA3 -0.352 3.612 3.960 0.008 0.000 0.261 604 G C 1.153 176.055 174.900 0.004 0.000 0.997 604 G CA 0.536 45.650 45.100 0.023 0.000 0.621 604 G HN 0.384 nan 8.290 nan 0.000 0.534 605 I N 0.801 121.379 120.570 0.013 0.000 2.087 605 I HA -0.113 4.062 4.170 0.008 0.000 0.240 605 I C 1.547 177.661 176.117 -0.006 0.000 1.054 605 I CA 1.506 62.817 61.300 0.018 0.000 1.311 605 I CB -0.252 37.781 38.000 0.055 0.000 1.024 605 I HN 0.203 nan 8.210 nan 0.000 0.402 606 I N 2.150 122.696 120.570 -0.039 0.000 2.281 606 I HA 0.093 4.267 4.170 0.008 0.000 0.293 606 I C -0.032 176.056 176.117 -0.047 0.000 1.085 606 I CA -0.059 61.219 61.300 -0.036 0.000 1.257 606 I CB -0.009 37.939 38.000 -0.086 0.000 1.430 606 I HN 0.231 nan 8.210 nan 0.000 0.489 607 N N 8.286 126.932 118.700 -0.091 0.000 2.399 607 N HA 0.341 5.086 4.740 0.008 0.000 0.295 607 N C -2.033 173.247 175.510 -0.382 0.000 1.048 607 N CA -1.916 50.996 53.050 -0.230 0.000 0.886 607 N CB 2.695 41.116 38.487 -0.110 0.000 1.185 607 N HN 0.119 nan 8.380 nan 0.000 0.487 608 P HA -0.014 nan 4.420 nan 0.000 0.217 608 P C 0.368 177.551 177.300 -0.195 0.000 1.150 608 P CA 1.369 64.044 63.100 -0.709 0.000 0.832 608 P CB 0.319 31.566 31.700 -0.755 0.000 0.787 609 R N -1.089 119.321 120.500 -0.150 0.000 2.310 609 R HA 0.145 4.490 4.340 0.008 0.000 0.202 609 R C 0.368 176.664 176.300 -0.008 0.000 0.933 609 R CA -0.010 56.062 56.100 -0.047 0.000 1.054 609 R CB -0.548 29.732 30.300 -0.033 0.000 0.985 609 R HN 0.221 nan 8.270 nan 0.000 0.489 610 D N 1.339 121.730 120.400 -0.015 0.000 2.313 610 D HA -0.018 4.626 4.640 0.008 0.000 0.247 610 D C -0.604 175.729 176.300 0.055 0.000 1.094 610 D CA -0.430 53.578 54.000 0.013 0.000 0.925 610 D CB 0.851 41.651 40.800 -0.000 0.000 1.188 610 D HN -0.076 nan 8.370 nan 0.000 0.430 611 D N 1.247 121.667 120.400 0.033 0.000 2.487 611 D HA -0.092 4.553 4.640 0.008 0.000 0.243 611 D C 1.066 177.373 176.300 0.012 0.000 1.154 611 D CA 0.110 54.125 54.000 0.025 0.000 0.876 611 D CB 0.152 40.918 40.800 -0.056 0.000 1.161 611 D HN 0.395 nan 8.370 nan 0.000 0.478 612 F N 3.017 122.990 119.950 0.038 0.000 2.250 612 F HA -0.065 4.467 4.527 0.008 0.000 0.301 612 F C 1.646 177.474 175.800 0.046 0.000 1.077 612 F CA 0.791 58.823 58.000 0.052 0.000 1.348 612 F CB -0.233 38.803 39.000 0.061 0.000 1.040 612 F HN 0.247 nan 8.300 nan 0.000 0.509 613 K N 0.645 120.548 120.400 -0.828 0.000 2.137 613 K HA 0.176 4.500 4.320 0.008 0.000 0.202 613 K C 2.457 178.922 176.600 -0.225 0.000 1.052 613 K CA 0.768 56.721 56.287 -0.558 0.000 0.961 613 K CB -0.311 31.774 32.500 -0.690 0.000 0.741 613 K HN 0.339 nan 8.250 nan 0.000 0.452 614 A N 1.823 124.533 122.820 -0.183 0.000 1.898 614 A HA -0.177 4.147 4.320 0.008 0.000 0.216 614 A C 2.080 179.641 177.584 -0.040 0.000 1.181 614 A CA 1.306 53.291 52.037 -0.087 0.000 0.620 614 A CB -0.431 18.529 19.000 -0.067 0.000 0.819 614 A HN 0.197 nan 8.150 nan 0.000 0.442 615 R N -0.175 120.310 120.500 -0.024 0.000 2.075 615 R HA -0.083 4.262 4.340 0.008 0.000 0.232 615 R C 2.273 178.577 176.300 0.006 0.000 1.126 615 R CA 1.510 57.615 56.100 0.009 0.000 0.963 615 R CB -0.489 29.841 30.300 0.051 0.000 0.858 615 R HN 0.393 nan 8.270 nan 0.000 0.435 616 A N 1.338 124.168 122.820 0.017 0.000 1.908 616 A HA -0.219 4.106 4.320 0.008 0.000 0.218 616 A C 2.219 179.832 177.584 0.048 0.000 1.181 616 A CA 1.694 53.758 52.037 0.044 0.000 0.627 616 A CB -0.567 18.482 19.000 0.081 0.000 0.818 616 A HN 0.344 nan 8.150 nan 0.000 0.445 617 R N 0.121 120.635 120.500 0.023 0.000 2.091 617 R HA -0.065 4.279 4.340 0.008 0.000 0.238 617 R C 1.799 178.130 176.300 0.051 0.000 1.136 617 R CA 1.845 57.963 56.100 0.030 0.000 0.959 617 R CB -0.680 29.620 30.300 0.001 0.000 0.856 617 R HN 0.610 nan 8.270 nan 0.000 0.437 618 I N -0.292 120.310 120.570 0.053 0.000 2.202 618 I HA -0.295 3.880 4.170 0.008 0.000 0.242 618 I C 2.207 178.438 176.117 0.190 0.000 1.091 618 I CA 1.511 62.871 61.300 0.099 0.000 1.368 618 I CB -0.228 37.831 38.000 0.098 0.000 1.058 618 I HN 0.219 nan 8.210 nan 0.000 0.410 619 M N 0.228 119.899 119.600 0.118 0.000 2.213 619 M HA -0.149 4.336 4.480 0.008 0.000 0.263 619 M C 2.463 178.913 176.300 0.251 0.000 1.062 619 M CA 1.776 57.134 55.300 0.096 0.000 1.105 619 M CB -0.466 31.959 32.600 -0.291 0.000 1.385 619 M HN 0.306 nan 8.290 nan 0.000 0.417 620 A N 0.516 123.455 122.820 0.200 0.000 1.855 620 A HA -0.127 4.197 4.320 0.008 0.000 0.213 620 A C 1.746 179.414 177.584 0.140 0.000 1.195 620 A CA 1.640 53.798 52.037 0.202 0.000 0.610 620 A CB -0.506 18.582 19.000 0.146 0.000 0.837 620 A HN 0.338 nan 8.150 nan 0.000 0.444 621 D N 0.123 120.576 120.400 0.089 0.000 2.123 621 D HA -0.064 4.580 4.640 0.008 0.000 0.200 621 D C 0.736 177.025 176.300 -0.019 0.000 0.976 621 D CA 1.276 55.296 54.000 0.033 0.000 0.831 621 D CB -0.275 40.534 40.800 0.015 0.000 0.974 621 D HN 0.370 nan 8.370 nan 0.000 0.469 622 D N -1.392 118.974 120.400 -0.056 0.000 2.389 622 D HA 0.026 4.671 4.640 0.008 0.000 0.206 622 D C 0.462 176.406 176.300 -0.593 0.000 1.055 622 D CA 0.267 54.064 54.000 -0.339 0.000 0.856 622 D CB 0.296 40.820 40.800 -0.460 0.000 0.957 622 D HN 0.307 nan 8.370 nan 0.000 0.509 623 Y N -0.724 119.630 120.300 0.090 0.000 2.767 623 Y HA 0.326 4.880 4.550 0.007 0.000 0.254 623 Y C 1.294 177.348 175.900 0.257 0.000 1.133 623 Y CA -0.420 57.770 58.100 0.150 0.000 1.225 623 Y CB 0.941 39.471 38.460 0.116 0.000 1.312 623 Y HN -0.071 nan 8.280 nan 0.000 0.560 624 G N 0.330 109.297 108.800 0.279 0.000 2.295 624 G HA2 -0.313 3.652 3.960 0.008 0.000 0.287 624 G HA3 -0.313 3.652 3.960 0.008 0.000 0.287 624 G C -0.475 174.582 174.900 0.262 0.000 1.055 624 G CA -0.117 45.110 45.100 0.212 0.000 0.922 624 G HN 0.303 nan 8.290 nan 0.000 0.503 625 W N -0.039 121.308 121.300 0.079 0.000 2.496 625 W HA 0.549 5.213 4.660 0.007 0.000 0.327 625 W C 0.095 176.638 176.519 0.040 0.000 1.086 625 W CA -0.831 56.548 57.345 0.056 0.000 1.222 625 W CB 0.969 30.468 29.460 0.066 0.000 1.304 625 W HN 0.080 nan 8.180 nan 0.000 0.547 626 D N 1.984 122.466 120.400 0.137 0.000 2.382 626 D HA -0.049 4.595 4.640 0.008 0.000 0.259 626 D C 1.264 177.678 176.300 0.191 0.000 1.224 626 D CA 0.318 54.381 54.000 0.106 0.000 0.894 626 D CB 1.500 42.308 40.800 0.012 0.000 1.127 626 D HN 0.228 nan 8.370 nan 0.000 0.487 627 V N 3.596 123.606 119.914 0.160 0.000 2.688 627 V HA -0.268 3.857 4.120 0.008 0.000 0.256 627 V C 1.892 178.077 176.094 0.152 0.000 1.084 627 V CA 2.054 64.449 62.300 0.159 0.000 1.103 627 V CB -0.234 31.654 31.823 0.109 0.000 0.688 627 V HN 0.633 nan 8.190 nan 0.000 0.480 628 T N 0.060 114.686 114.554 0.121 0.000 2.674 628 T HA -0.169 4.185 4.350 0.008 0.000 0.265 628 T C 1.570 176.347 174.700 0.128 0.000 1.039 628 T CA 1.854 64.017 62.100 0.104 0.000 1.150 628 T CB -0.380 68.525 68.868 0.061 0.000 0.864 628 T HN 0.590 nan 8.240 nan 0.000 0.427 629 D N 1.416 121.900 120.400 0.140 0.000 2.097 629 D HA -0.014 4.631 4.640 0.008 0.000 0.195 629 D C 2.365 178.843 176.300 0.297 0.000 0.989 629 D CA 1.251 55.358 54.000 0.178 0.000 0.827 629 D CB -0.612 40.263 40.800 0.125 0.000 0.966 629 D HN 0.393 nan 8.370 nan 0.000 0.456 630 A N 0.819 123.867 122.820 0.380 0.000 1.978 630 A HA -0.182 4.143 4.320 0.008 0.000 0.220 630 A C 2.141 179.845 177.584 0.199 0.000 1.170 630 A CA 1.211 53.407 52.037 0.265 0.000 0.636 630 A CB -0.444 18.681 19.000 0.209 0.000 0.810 630 A HN 0.100 nan 8.150 nan 0.000 0.448 631 R N -0.903 119.735 120.500 0.231 0.000 2.275 631 R HA 0.068 4.412 4.340 0.008 0.000 0.199 631 R C 0.582 177.028 176.300 0.244 0.000 0.989 631 R CA 0.700 56.989 56.100 0.315 0.000 1.016 631 R CB 0.021 30.518 30.300 0.328 0.000 0.918 631 R HN 0.359 nan 8.270 nan 0.000 0.473 632 K N 0.766 121.277 120.400 0.185 0.000 2.681 632 K HA 0.251 4.576 4.320 0.008 0.000 0.211 632 K C -0.415 176.290 176.600 0.175 0.000 1.075 632 K CA -0.148 56.236 56.287 0.162 0.000 1.141 632 K CB 0.562 33.119 32.500 0.095 0.000 0.896 632 K HN 0.049 nan 8.250 nan 0.000 0.470 633 I N 1.082 121.757 120.570 0.175 0.000 2.533 633 I HA -0.086 4.088 4.170 0.008 0.000 0.284 633 I C 0.587 176.870 176.117 0.276 0.000 1.109 633 I CA -0.101 61.278 61.300 0.131 0.000 1.412 633 I CB 0.451 38.476 38.000 0.041 0.000 1.396 633 I HN 0.289 nan 8.210 nan 0.000 0.543 634 W N 6.054 127.304 121.300 -0.084 0.000 2.630 634 W HA 0.138 4.802 4.660 0.007 0.000 0.271 634 W C 0.721 177.226 176.519 -0.024 0.000 1.244 634 W CA -0.255 57.052 57.345 -0.062 0.000 1.353 634 W CB -0.005 29.401 29.460 -0.090 0.000 1.080 634 W HN 0.681 nan 8.180 nan 0.000 0.594 635 C N -3.711 115.686 119.300 0.161 0.000 3.197 635 C HA 0.567 5.031 4.460 0.008 0.000 0.343 635 C C -0.529 174.549 174.990 0.148 0.000 1.291 635 C CA -1.961 57.180 59.018 0.205 0.000 1.191 635 C CB 0.183 28.047 27.740 0.207 0.000 1.444 635 C HN -0.067 nan 8.230 nan 0.000 0.468 636 F N 0.857 120.884 119.950 0.128 0.000 2.461 636 F HA 0.862 5.394 4.527 0.008 0.000 0.332 636 F C 1.135 177.086 175.800 0.251 0.000 1.073 636 F CA 0.711 58.811 58.000 0.167 0.000 1.017 636 F CB 2.263 41.310 39.000 0.078 0.000 1.301 636 F HN 1.212 nan 8.300 nan 0.000 0.492 637 G N 0.881 109.916 108.800 0.393 0.000 2.616 637 G HA2 0.525 4.490 3.960 0.008 0.000 0.294 637 G HA3 0.525 4.490 3.960 0.008 0.000 0.294 637 G C -3.418 171.478 174.900 -0.006 0.000 1.489 637 G CA -1.140 44.044 45.100 0.141 0.000 0.836 637 G HN 0.198 nan 8.290 nan 0.000 0.527 638 P HA 0.335 nan 4.420 nan 0.000 0.289 638 P C -0.352 176.887 177.300 -0.101 0.000 1.299 638 P CA -0.128 62.877 63.100 -0.158 0.000 0.766 638 P CB 0.540 32.106 31.700 -0.223 0.000 1.226 639 D N -1.850 118.458 120.400 -0.154 0.000 2.955 639 D HA -0.191 4.454 4.640 0.008 0.000 0.226 639 D C 0.926 177.191 176.300 -0.057 0.000 1.178 639 D CA 1.815 55.738 54.000 -0.128 0.000 0.808 639 D CB -1.835 38.889 40.800 -0.126 0.000 1.099 639 D HN 0.844 nan 8.370 nan 0.000 0.421 640 G N 1.053 109.852 108.800 -0.002 0.000 2.168 640 G HA2 -0.371 3.593 3.960 0.008 0.000 0.257 640 G HA3 -0.371 3.593 3.960 0.008 0.000 0.257 640 G C 0.558 175.505 174.900 0.079 0.000 0.997 640 G CA 1.139 46.281 45.100 0.070 0.000 0.708 640 G HN 0.744 nan 8.290 nan 0.000 0.520 641 N N -1.460 117.287 118.700 0.079 0.000 1.899 641 N HA 0.241 4.986 4.740 0.008 0.000 0.223 641 N C 0.938 176.515 175.510 0.111 0.000 1.411 641 N CA 0.859 53.910 53.050 0.001 0.000 0.737 641 N CB -0.489 37.939 38.487 -0.099 0.000 1.100 641 N HN 0.805 nan 8.380 nan 0.000 0.527 642 G N 0.949 109.841 108.800 0.153 0.000 2.651 642 G HA2 0.374 4.338 3.960 0.008 0.000 0.260 642 G HA3 0.374 4.338 3.960 0.008 0.000 0.260 642 G C -2.185 172.840 174.900 0.208 0.000 1.216 642 G CA -1.070 44.100 45.100 0.117 0.000 0.913 642 G HN 0.012 nan 8.290 nan 0.000 0.535 643 P HA 0.132 nan 4.420 nan 0.000 0.246 643 P C -0.690 176.665 177.300 0.092 0.000 1.686 643 P CA 0.108 63.273 63.100 0.109 0.000 0.867 643 P CB -0.242 31.491 31.700 0.056 0.000 1.733 644 N N 0.414 119.195 118.700 0.135 0.000 2.242 644 N HA 0.466 5.210 4.740 0.008 0.000 0.292 644 N C -1.049 174.594 175.510 0.221 0.000 1.125 644 N CA -0.579 52.594 53.050 0.205 0.000 0.783 644 N CB 2.294 40.912 38.487 0.217 0.000 1.558 644 N HN -0.064 nan 8.380 nan 0.000 0.472 645 L N 0.957 122.261 121.223 0.133 0.000 2.422 645 L HA 0.567 4.912 4.340 0.008 0.000 0.264 645 L C -0.669 175.975 176.870 -0.377 0.000 0.984 645 L CA -1.086 53.640 54.840 -0.190 0.000 0.819 645 L CB 2.552 44.458 42.059 -0.255 0.000 1.330 645 L HN 0.126 nan 8.230 nan 0.000 0.410 646 V N 3.911 123.469 119.914 -0.592 0.000 2.398 646 V HA 0.434 4.559 4.120 0.008 0.000 0.286 646 V C -0.115 175.805 176.094 -0.290 0.000 1.026 646 V CA -0.438 61.532 62.300 -0.550 0.000 0.868 646 V CB 1.758 33.193 31.823 -0.648 0.000 0.982 646 V HN 0.372 nan 8.190 nan 0.000 0.443 647 I N 3.593 124.010 120.570 -0.256 0.000 2.378 647 I HA 0.336 4.511 4.170 0.008 0.000 0.291 647 I C -0.153 175.747 176.117 -0.362 0.000 0.992 647 I CA -0.612 60.568 61.300 -0.200 0.000 1.154 647 I CB 1.670 39.635 38.000 -0.058 0.000 1.315 647 I HN 0.614 nan 8.210 nan 0.000 0.448 648 D N 5.968 126.083 120.400 -0.474 0.000 2.352 648 D HA 0.166 4.810 4.640 0.008 0.000 0.245 648 D C 0.149 176.300 176.300 -0.249 0.000 1.224 648 D CA 0.226 53.884 54.000 -0.570 0.000 0.879 648 D CB 0.720 41.099 40.800 -0.702 0.000 1.057 648 D HN 0.460 nan 8.370 nan 0.000 0.491 649 Q N 2.235 121.907 119.800 -0.214 0.000 2.157 649 Q HA 0.125 4.469 4.340 0.008 0.000 0.229 649 Q C 0.273 176.212 176.000 -0.101 0.000 0.827 649 Q CA -0.292 55.437 55.803 -0.124 0.000 1.055 649 Q CB 0.740 29.412 28.738 -0.111 0.000 1.157 649 Q HN 0.616 nan 8.270 nan 0.000 0.482 650 T N -1.151 113.336 114.554 -0.111 0.000 2.788 650 T HA 0.366 4.721 4.350 0.008 0.000 0.287 650 T C -0.035 174.640 174.700 -0.041 0.000 1.007 650 T CA -0.500 61.557 62.100 -0.072 0.000 1.005 650 T CB 1.126 69.958 68.868 -0.060 0.000 1.012 650 T HN -0.025 nan 8.240 nan 0.000 0.530 651 K N 0.847 121.226 120.400 -0.034 0.000 2.613 651 K HA 0.601 4.926 4.320 0.008 0.000 0.248 651 K C -0.217 176.371 176.600 -0.020 0.000 0.959 651 K CA -0.511 55.761 56.287 -0.025 0.000 0.855 651 K CB 1.616 34.095 32.500 -0.034 0.000 1.143 651 K HN 1.038 nan 8.250 nan 0.000 0.437 652 A N 1.266 124.080 122.820 -0.009 0.000 2.667 652 A HA -0.128 4.197 4.320 0.008 0.000 0.298 652 A C -0.240 177.335 177.584 -0.014 0.000 1.483 652 A CA 0.226 52.254 52.037 -0.014 0.000 0.738 652 A CB -1.831 17.155 19.000 -0.023 0.000 1.067 652 A HN 0.342 nan 8.150 nan 0.000 0.451 653 V N 1.942 121.859 119.914 0.006 0.000 2.334 653 V HA 0.259 4.384 4.120 0.008 0.000 0.267 653 V C 0.790 176.887 176.094 0.007 0.000 1.040 653 V CA 0.313 62.624 62.300 0.018 0.000 0.866 653 V CB 1.365 33.219 31.823 0.051 0.000 1.019 653 V HN 0.760 nan 8.190 nan 0.000 0.468 654 Q N 4.275 124.039 119.800 -0.060 0.000 2.289 654 Q HA 0.097 4.442 4.340 0.008 0.000 0.273 654 Q C -0.196 175.718 176.000 -0.144 0.000 1.029 654 Q CA 0.276 55.938 55.803 -0.235 0.000 0.896 654 Q CB 0.030 28.538 28.738 -0.383 0.000 1.182 654 Q HN 0.782 nan 8.270 nan 0.000 0.385 655 Y N 1.073 121.403 120.300 0.050 0.000 4.729 655 Y HA -0.335 4.219 4.550 0.008 0.000 0.239 655 Y C 0.745 176.589 175.900 -0.094 0.000 1.043 655 Y CA 0.154 58.211 58.100 -0.071 0.000 2.045 655 Y CB -1.663 36.754 38.460 -0.070 0.000 1.599 655 Y HN 0.684 nan 8.280 nan 0.000 0.655 656 L N 1.568 122.883 121.223 0.154 0.000 2.043 656 L HA -0.233 4.112 4.340 0.008 0.000 0.212 656 L C 2.812 179.805 176.870 0.205 0.000 1.075 656 L CA 2.746 57.714 54.840 0.214 0.000 0.752 656 L CB -0.646 41.571 42.059 0.262 0.000 0.891 656 L HN 0.592 nan 8.230 nan 0.000 0.432 657 H N -1.316 117.834 119.070 0.134 0.000 2.491 657 H HA -0.052 4.508 4.556 0.008 0.000 0.290 657 H C 1.369 176.693 175.328 -0.008 0.000 1.050 657 H CA 1.266 57.318 56.048 0.007 0.000 1.309 657 H CB -0.417 29.335 29.762 -0.017 0.000 1.392 657 H HN 0.565 nan 8.280 nan 0.000 0.554 658 E N 1.072 120.992 120.200 -0.466 0.000 2.482 658 E HA 0.038 4.393 4.350 0.008 0.000 0.196 658 E C 1.703 178.246 176.600 -0.096 0.000 1.047 658 E CA 0.708 56.933 56.400 -0.291 0.000 0.869 658 E CB 0.177 29.692 29.700 -0.307 0.000 0.836 658 E HN 0.758 nan 8.360 nan 0.000 0.520 659 I N -2.919 117.637 120.570 -0.024 0.000 4.154 659 I HA 0.196 4.371 4.170 0.008 0.000 0.334 659 I C 1.851 178.009 176.117 0.069 0.000 1.371 659 I CA -0.308 61.020 61.300 0.047 0.000 1.110 659 I CB 0.298 38.361 38.000 0.106 0.000 1.085 659 I HN -0.193 nan 8.210 nan 0.000 0.398 660 K N 1.881 122.243 120.400 -0.063 0.000 2.032 660 K HA -0.210 4.115 4.320 0.008 0.000 0.209 660 K C 1.360 177.874 176.600 -0.142 0.000 1.048 660 K CA 2.410 58.502 56.287 -0.325 0.000 0.927 660 K CB -0.038 31.983 32.500 -0.799 0.000 0.712 660 K HN 0.319 nan 8.250 nan 0.000 0.441 661 D N 0.026 120.369 120.400 -0.094 0.000 2.178 661 D HA -0.095 4.550 4.640 0.008 0.000 0.201 661 D C 1.925 178.248 176.300 0.039 0.000 0.980 661 D CA 1.023 55.005 54.000 -0.030 0.000 0.842 661 D CB -0.061 40.724 40.800 -0.025 0.000 0.948 661 D HN 0.167 nan 8.370 nan 0.000 0.472 662 S N -0.266 115.468 115.700 0.057 0.000 2.357 662 S HA -0.065 4.410 4.470 0.008 0.000 0.221 662 S C 2.335 177.018 174.600 0.138 0.000 1.031 662 S CA 0.352 58.606 58.200 0.090 0.000 0.982 662 S CB -0.090 63.153 63.200 0.073 0.000 0.853 662 S HN 0.071 nan 8.310 nan 0.000 0.458 663 V N 1.737 121.760 119.914 0.183 0.000 2.332 663 V HA -0.152 3.973 4.120 0.008 0.000 0.248 663 V C 2.321 178.572 176.094 0.261 0.000 1.055 663 V CA 1.477 63.924 62.300 0.246 0.000 1.038 663 V CB -0.773 31.292 31.823 0.403 0.000 0.651 663 V HN 0.320 nan 8.190 nan 0.000 0.450 664 V N 0.211 120.267 119.914 0.238 0.000 2.295 664 V HA -0.264 3.861 4.120 0.008 0.000 0.246 664 V C 2.710 178.938 176.094 0.224 0.000 1.049 664 V CA 2.039 64.475 62.300 0.227 0.000 1.024 664 V CB -1.151 30.753 31.823 0.135 0.000 0.648 664 V HN 0.565 nan 8.190 nan 0.000 0.447 665 A N 0.104 123.027 122.820 0.172 0.000 1.883 665 A HA -0.178 4.147 4.320 0.008 0.000 0.217 665 A C 2.455 180.191 177.584 0.254 0.000 1.186 665 A CA 2.310 54.451 52.037 0.173 0.000 0.624 665 A CB -0.947 18.158 19.000 0.175 0.000 0.822 665 A HN 0.593 nan 8.150 nan 0.000 0.444 666 A N -1.453 121.519 122.820 0.253 0.000 1.908 666 A HA -0.121 4.203 4.320 0.008 0.000 0.218 666 A C 2.051 179.788 177.584 0.255 0.000 1.181 666 A CA 1.764 53.948 52.037 0.245 0.000 0.627 666 A CB -0.733 18.364 19.000 0.161 0.000 0.818 666 A HN 0.673 nan 8.150 nan 0.000 0.445 667 F N 0.545 120.559 119.950 0.106 0.000 2.234 667 F HA -0.154 4.378 4.527 0.008 0.000 0.299 667 F C 2.430 178.259 175.800 0.049 0.000 1.087 667 F CA 1.792 59.841 58.000 0.082 0.000 1.340 667 F CB -0.088 38.964 39.000 0.086 0.000 1.031 667 F HN 0.215 nan 8.300 nan 0.000 0.500 668 Q N -0.825 118.995 119.800 0.034 0.000 2.124 668 Q HA -0.227 4.118 4.340 0.008 0.000 0.202 668 Q C 2.144 177.968 176.000 -0.294 0.000 0.977 668 Q CA 1.998 57.687 55.803 -0.191 0.000 0.850 668 Q CB -1.090 27.500 28.738 -0.248 0.000 0.901 668 Q HN 0.614 nan 8.270 nan 0.000 0.429 669 W N 0.605 121.860 121.300 -0.075 0.000 2.453 669 W HA 0.053 4.717 4.660 0.008 0.000 0.289 669 W C 2.451 178.912 176.519 -0.097 0.000 1.215 669 W CA 0.735 58.032 57.345 -0.080 0.000 1.297 669 W CB -0.266 29.160 29.460 -0.057 0.000 1.113 669 W HN 0.119 nan 8.180 nan 0.000 0.551 670 A N 0.189 123.070 122.820 0.101 0.000 1.969 670 A HA -0.194 4.130 4.320 0.008 0.000 0.218 670 A C 1.923 179.457 177.584 -0.083 0.000 1.169 670 A CA 2.331 54.431 52.037 0.105 0.000 0.635 670 A CB -1.327 17.722 19.000 0.081 0.000 0.810 670 A HN 0.311 nan 8.150 nan 0.000 0.445 671 T N -2.740 111.622 114.554 -0.319 0.000 3.035 671 T HA -0.000 4.354 4.350 0.008 0.000 0.259 671 T C 1.794 176.334 174.700 -0.266 0.000 1.078 671 T CA 1.338 63.206 62.100 -0.387 0.000 1.132 671 T CB -0.058 68.447 68.868 -0.605 0.000 0.900 671 T HN 0.299 nan 8.240 nan 0.000 0.480 672 K N 2.307 122.579 120.400 -0.213 0.000 2.057 672 K HA 0.013 4.337 4.320 0.008 0.000 0.207 672 K C 0.410 176.926 176.600 -0.139 0.000 1.049 672 K CA 1.192 57.369 56.287 -0.183 0.000 0.931 672 K CB -0.087 32.305 32.500 -0.179 0.000 0.714 672 K HN 0.581 nan 8.250 nan 0.000 0.440 673 E N -0.053 120.098 120.200 -0.082 0.000 2.279 673 E HA 0.333 4.688 4.350 0.008 0.000 0.252 673 E C -0.690 175.801 176.600 -0.181 0.000 0.894 673 E CA -0.540 55.789 56.400 -0.118 0.000 0.785 673 E CB 1.581 31.262 29.700 -0.032 0.000 1.237 673 E HN 0.346 nan 8.360 nan 0.000 0.418 674 G N 2.714 111.303 108.800 -0.351 0.000 2.616 674 G HA2 0.173 4.138 3.960 0.008 0.000 0.268 674 G HA3 0.173 4.138 3.960 0.008 0.000 0.268 674 G C -1.420 173.065 174.900 -0.693 0.000 1.213 674 G CA -0.977 43.757 45.100 -0.611 0.000 0.926 674 G HN 0.285 nan 8.290 nan 0.000 0.523 675 P HA -0.025 nan 4.420 nan 0.000 0.225 675 P C 1.814 178.963 177.300 -0.253 0.000 1.156 675 P CA 0.651 63.275 63.100 -0.792 0.000 0.787 675 P CB 0.326 31.451 31.700 -0.958 0.000 0.802 676 I N -0.245 120.225 120.570 -0.166 0.000 2.133 676 I HA -0.142 4.032 4.170 0.008 0.000 0.238 676 I C 1.685 177.978 176.117 0.294 0.000 1.074 676 I CA 1.840 63.217 61.300 0.128 0.000 1.342 676 I CB -0.399 37.768 38.000 0.278 0.000 1.053 676 I HN -0.050 nan 8.210 nan 0.000 0.404 677 F N -1.621 118.256 119.950 -0.122 0.000 2.617 677 F HA 0.550 5.081 4.527 0.007 0.000 0.357 677 F C 0.626 176.337 175.800 -0.147 0.000 1.315 677 F CA -0.172 57.773 58.000 -0.091 0.000 1.055 677 F CB -0.182 38.796 39.000 -0.036 0.000 1.308 677 F HN 0.075 nan 8.300 nan 0.000 0.506 678 G N 0.202 108.803 108.800 -0.332 0.000 2.159 678 G HA2 -0.227 3.738 3.960 0.008 0.000 0.256 678 G HA3 -0.227 3.738 3.960 0.008 0.000 0.256 678 G C -0.045 174.593 174.900 -0.436 0.000 0.977 678 G CA 0.217 45.094 45.100 -0.371 0.000 0.652 678 G HN 0.444 nan 8.290 nan 0.000 0.531 679 E N 0.858 120.675 120.200 -0.638 0.000 2.319 679 E HA 0.340 4.695 4.350 0.008 0.000 0.268 679 E C 0.705 177.102 176.600 -0.338 0.000 1.050 679 E CA -0.517 55.575 56.400 -0.515 0.000 0.878 679 E CB 0.700 29.972 29.700 -0.714 0.000 1.066 679 E HN 0.577 nan 8.360 nan 0.000 0.406 680 E N 1.192 121.235 120.200 -0.262 0.000 2.437 680 E HA -0.011 4.343 4.350 0.008 0.000 0.263 680 E C 0.128 176.579 176.600 -0.249 0.000 1.030 680 E CA 0.357 56.607 56.400 -0.250 0.000 0.934 680 E CB 0.551 30.106 29.700 -0.241 0.000 0.943 680 E HN 0.231 nan 8.360 nan 0.000 0.444 681 M N 1.848 121.310 119.600 -0.230 0.000 2.247 681 M HA 0.318 4.803 4.480 0.008 0.000 0.326 681 M C 0.202 176.412 176.300 -0.151 0.000 1.134 681 M CA 0.185 55.392 55.300 -0.154 0.000 1.136 681 M CB 1.053 33.575 32.600 -0.131 0.000 1.454 681 M HN 0.349 nan 8.290 nan 0.000 0.467 682 R N -0.282 120.167 120.500 -0.085 0.000 2.561 682 R HA 0.259 4.604 4.340 0.008 0.000 0.266 682 R C -0.917 175.375 176.300 -0.014 0.000 1.091 682 R CA -0.126 55.910 56.100 -0.107 0.000 0.927 682 R CB 1.474 31.604 30.300 -0.283 0.000 1.240 682 R HN 0.831 nan 8.270 nan 0.000 0.449 683 S N 0.528 116.239 115.700 0.018 0.000 3.749 683 S HA -0.127 4.348 4.470 0.008 0.000 0.348 683 S C -0.551 174.093 174.600 0.073 0.000 1.045 683 S CA 0.836 59.067 58.200 0.053 0.000 1.051 683 S CB -1.235 61.991 63.200 0.043 0.000 0.898 683 S HN 0.365 nan 8.310 nan 0.000 0.472 684 V N 1.723 121.703 119.914 0.110 0.000 2.357 684 V HA 0.479 4.604 4.120 0.008 0.000 0.284 684 V C 0.455 176.659 176.094 0.182 0.000 1.018 684 V CA -0.594 61.795 62.300 0.148 0.000 0.841 684 V CB 1.614 33.574 31.823 0.230 0.000 0.991 684 V HN 0.470 nan 8.190 nan 0.000 0.437 685 R N 4.188 124.763 120.500 0.124 0.000 2.294 685 R HA 0.691 5.036 4.340 0.008 0.000 0.319 685 R C -1.562 174.774 176.300 0.061 0.000 0.984 685 R CA -0.386 55.774 56.100 0.100 0.000 0.861 685 R CB 1.685 32.034 30.300 0.083 0.000 1.104 685 R HN 0.502 nan 8.270 nan 0.000 0.451 686 V N 5.217 125.143 119.914 0.021 0.000 2.347 686 V HA 0.255 4.379 4.120 0.008 0.000 0.280 686 V C -0.568 175.463 176.094 -0.105 0.000 1.021 686 V CA -0.928 61.363 62.300 -0.015 0.000 0.847 686 V CB 1.483 33.314 31.823 0.013 0.000 0.990 686 V HN 0.760 nan 8.190 nan 0.000 0.444 687 N N 5.335 123.983 118.700 -0.087 0.000 2.485 687 N HA 0.434 5.179 4.740 0.008 0.000 0.243 687 N C -0.327 175.109 175.510 -0.122 0.000 0.987 687 N CA -0.266 52.711 53.050 -0.121 0.000 0.940 687 N CB 1.702 40.126 38.487 -0.105 0.000 1.122 687 N HN 0.569 nan 8.380 nan 0.000 0.509 688 I N 3.429 123.883 120.570 -0.193 0.000 2.494 688 I HA -0.012 4.163 4.170 0.008 0.000 0.289 688 I C 1.457 177.493 176.117 -0.135 0.000 1.106 688 I CA -0.013 61.180 61.300 -0.179 0.000 1.369 688 I CB 0.565 38.376 38.000 -0.316 0.000 1.410 688 I HN 0.373 nan 8.210 nan 0.000 0.523 689 L N 4.384 125.573 121.223 -0.055 0.000 2.249 689 L HA 0.212 4.557 4.340 0.008 0.000 0.207 689 L C 0.411 177.251 176.870 -0.050 0.000 1.090 689 L CA 0.735 55.544 54.840 -0.050 0.000 0.802 689 L CB -0.102 41.943 42.059 -0.023 0.000 0.947 689 L HN 0.603 nan 8.230 nan 0.000 0.453 690 D N -1.590 118.818 120.400 0.015 0.000 2.654 690 D HA 0.490 5.134 4.640 0.008 0.000 0.231 690 D C -1.543 174.870 176.300 0.188 0.000 1.239 690 D CA -0.167 53.838 54.000 0.008 0.000 0.790 690 D CB 2.774 43.428 40.800 -0.244 0.000 1.480 690 D HN -0.319 nan 8.370 nan 0.000 0.442 691 V N 1.496 121.494 119.914 0.140 0.000 2.711 691 V HA 0.559 4.684 4.120 0.008 0.000 0.304 691 V C -0.459 175.729 176.094 0.157 0.000 1.097 691 V CA -0.778 61.626 62.300 0.174 0.000 0.906 691 V CB 1.966 33.854 31.823 0.108 0.000 1.015 691 V HN 0.746 nan 8.190 nan 0.000 0.427 692 T N 3.655 118.324 114.554 0.193 0.000 2.779 692 T HA 0.867 5.222 4.350 0.008 0.000 0.280 692 T C -0.812 173.974 174.700 0.143 0.000 0.987 692 T CA -0.563 61.630 62.100 0.156 0.000 0.966 692 T CB 1.201 70.176 68.868 0.178 0.000 0.933 692 T HN 0.370 nan 8.240 nan 0.000 0.442 693 L N 2.487 123.794 121.223 0.141 0.000 2.341 693 L HA 0.494 4.839 4.340 0.008 0.000 0.267 693 L C 0.430 177.395 176.870 0.159 0.000 1.009 693 L CA -1.411 53.523 54.840 0.156 0.000 0.819 693 L CB 1.942 44.099 42.059 0.164 0.000 1.323 693 L HN 0.720 nan 8.230 nan 0.000 0.425 694 H N 1.073 120.182 119.070 0.065 0.000 2.764 694 H HA 0.118 4.678 4.556 0.008 0.000 0.341 694 H C 0.615 175.937 175.328 -0.011 0.000 1.072 694 H CA 0.449 56.500 56.048 0.005 0.000 1.444 694 H CB 1.975 31.697 29.762 -0.067 0.000 1.458 694 H HN 0.838 nan 8.280 nan 0.000 0.572 695 A N 4.818 127.402 122.820 -0.394 0.000 1.940 695 A HA -0.142 4.182 4.320 0.008 0.000 0.219 695 A C 0.613 178.081 177.584 -0.192 0.000 1.176 695 A CA 1.230 53.155 52.037 -0.187 0.000 0.631 695 A CB -0.063 18.821 19.000 -0.194 0.000 0.814 695 A HN 0.731 nan 8.150 nan 0.000 0.446 696 D N -0.576 119.821 120.400 -0.005 0.000 2.277 696 D HA 0.473 5.118 4.640 0.008 0.000 0.249 696 D C 1.096 177.410 176.300 0.025 0.000 1.134 696 D CA 0.609 54.644 54.000 0.059 0.000 0.863 696 D CB 1.541 42.444 40.800 0.172 0.000 1.143 696 D HN 0.185 nan 8.370 nan 0.000 0.458 697 A N 3.881 126.639 122.820 -0.104 0.000 2.019 697 A HA -0.094 4.230 4.320 0.008 0.000 0.219 697 A C 1.321 178.870 177.584 -0.058 0.000 1.164 697 A CA 0.616 52.590 52.037 -0.105 0.000 0.644 697 A CB -0.531 18.390 19.000 -0.131 0.000 0.805 697 A HN 0.667 nan 8.150 nan 0.000 0.449 701 G N -0.194 108.601 108.800 -0.009 0.000 2.525 701 G HA2 0.429 4.394 3.960 0.008 0.000 0.287 701 G HA3 0.429 4.394 3.960 0.008 0.000 0.287 701 G C 1.016 175.919 174.900 0.004 0.000 1.350 701 G CA -0.297 44.798 45.100 -0.008 0.000 1.039 701 G HN 0.189 nan 8.290 nan 0.000 0.513 702 G N -0.367 108.437 108.800 0.007 0.000 2.440 702 G HA2 -0.044 3.921 3.960 0.008 0.000 0.218 702 G HA3 -0.044 3.921 3.960 0.008 0.000 0.218 702 G C 1.777 176.681 174.900 0.006 0.000 1.154 702 G CA 1.531 46.641 45.100 0.017 0.000 0.767 702 G HN 0.975 nan 8.290 nan 0.000 0.552 703 G N -0.543 108.254 108.800 -0.006 0.000 2.462 703 G HA2 -0.127 3.837 3.960 0.008 0.000 0.220 703 G HA3 -0.127 3.837 3.960 0.008 0.000 0.220 703 G C 1.848 176.738 174.900 -0.017 0.000 1.121 703 G CA 1.126 46.216 45.100 -0.017 0.000 0.758 703 G HN 0.410 nan 8.290 nan 0.000 0.559 704 Q N -0.365 119.431 119.800 -0.008 0.000 2.200 704 Q HA 0.148 4.492 4.340 0.008 0.000 0.197 704 Q C 2.780 178.782 176.000 0.003 0.000 0.953 704 Q CA 0.213 56.014 55.803 -0.004 0.000 0.851 704 Q CB -0.152 28.588 28.738 0.005 0.000 0.938 704 Q HN 0.397 nan 8.270 nan 0.000 0.488 705 I N 1.090 121.671 120.570 0.017 0.000 2.233 705 I HA -0.179 3.996 4.170 0.008 0.000 0.243 705 I C 2.509 178.644 176.117 0.030 0.000 1.093 705 I CA 0.900 62.219 61.300 0.033 0.000 1.380 705 I CB -1.143 36.889 38.000 0.054 0.000 1.067 705 I HN 0.112 nan 8.210 nan 0.000 0.413 706 I N 1.464 122.052 120.570 0.030 0.000 2.087 706 I HA -0.270 3.904 4.170 0.008 0.000 0.240 706 I C -0.269 175.845 176.117 -0.006 0.000 1.054 706 I CA 2.119 63.438 61.300 0.033 0.000 1.311 706 I CB -1.944 36.074 38.000 0.030 0.000 1.024 706 I HN 0.156 nan 8.210 nan 0.000 0.402 707 P HA -0.113 nan 4.420 nan 0.000 0.218 707 P C 1.582 178.849 177.300 -0.055 0.000 1.149 707 P CA 1.519 64.582 63.100 -0.062 0.000 0.817 707 P CB -0.160 31.506 31.700 -0.056 0.000 0.785 708 T N -0.483 114.051 114.554 -0.033 0.000 2.674 708 T HA -0.185 4.169 4.350 0.008 0.000 0.265 708 T C 1.754 176.435 174.700 -0.032 0.000 1.039 708 T CA 1.700 63.779 62.100 -0.035 0.000 1.150 708 T CB -0.785 68.067 68.868 -0.027 0.000 0.864 708 T HN 0.054 nan 8.240 nan 0.000 0.427 709 M N 1.276 120.875 119.600 -0.003 0.000 2.117 709 M HA 0.006 4.491 4.480 0.008 0.000 0.262 709 M C 2.186 178.489 176.300 0.004 0.000 1.065 709 M CA 1.500 56.815 55.300 0.025 0.000 1.114 709 M CB -0.424 32.224 32.600 0.079 0.000 1.361 709 M HN -0.081 nan 8.290 nan 0.000 0.408 710 R N -0.093 120.375 120.500 -0.052 0.000 2.081 710 R HA -0.102 4.242 4.340 0.008 0.000 0.235 710 R C 2.249 178.325 176.300 -0.375 0.000 1.131 710 R CA 1.729 57.711 56.100 -0.197 0.000 0.960 710 R CB -0.237 29.918 30.300 -0.242 0.000 0.856 710 R HN 0.477 nan 8.270 nan 0.000 0.436 711 R N -0.525 119.843 120.500 -0.220 0.000 2.073 711 R HA 0.012 4.356 4.340 0.008 0.000 0.229 711 R C 2.310 178.625 176.300 0.024 0.000 1.120 711 R CA 1.126 57.160 56.100 -0.110 0.000 0.967 711 R CB -0.277 30.052 30.300 0.049 0.000 0.862 711 R HN 0.168 nan 8.270 nan 0.000 0.436 712 A N 0.624 123.449 122.820 0.010 0.000 1.933 712 A HA -0.149 4.176 4.320 0.008 0.000 0.218 712 A C 2.129 179.778 177.584 0.108 0.000 1.175 712 A CA 1.863 53.924 52.037 0.040 0.000 0.628 712 A CB -0.776 18.210 19.000 -0.023 0.000 0.814 712 A HN 0.246 nan 8.150 nan 0.000 0.444 713 T N -0.986 113.634 114.554 0.110 0.000 2.652 713 T HA -0.161 4.193 4.350 0.008 0.000 0.267 713 T C 1.784 176.664 174.700 0.299 0.000 1.039 713 T CA 1.740 63.966 62.100 0.209 0.000 1.153 713 T CB -0.466 68.546 68.868 0.240 0.000 0.863 713 T HN 0.489 nan 8.240 nan 0.000 0.428 714 Y N 1.587 121.844 120.300 -0.071 0.000 2.165 714 Y HA -0.039 4.515 4.550 0.008 0.000 0.286 714 Y C 2.766 178.706 175.900 0.066 0.000 1.155 714 Y CA 0.172 58.146 58.100 -0.209 0.000 1.164 714 Y CB -1.353 36.593 38.460 -0.856 0.000 0.978 714 Y HN 0.219 nan 8.280 nan 0.000 0.513 715 A N -0.157 122.875 122.820 0.352 0.000 1.902 715 A HA -0.095 4.229 4.320 0.008 0.000 0.217 715 A C 2.681 180.466 177.584 0.336 0.000 1.181 715 A CA 1.811 54.130 52.037 0.469 0.000 0.623 715 A CB -1.400 17.898 19.000 0.497 0.000 0.818 715 A HN 0.449 nan 8.150 nan 0.000 0.443 716 G N -1.466 107.481 108.800 0.245 0.000 2.408 716 G HA2 -0.191 3.773 3.960 0.008 0.000 0.217 716 G HA3 -0.191 3.773 3.960 0.008 0.000 0.217 716 G C 1.480 176.469 174.900 0.149 0.000 1.150 716 G CA 1.038 46.229 45.100 0.152 0.000 0.776 716 G HN 0.492 nan 8.290 nan 0.000 0.542 717 F N 0.724 120.718 119.950 0.074 0.000 2.069 717 F HA -0.063 4.468 4.527 0.007 0.000 0.298 717 F C 2.311 178.133 175.800 0.036 0.000 1.113 717 F CA 0.997 59.019 58.000 0.038 0.000 1.214 717 F CB -0.059 38.942 39.000 0.002 0.000 0.978 717 F HN 0.024 nan 8.300 nan 0.000 0.474 718 L N 0.312 121.765 121.223 0.384 0.000 2.191 718 L HA -0.153 4.192 4.340 0.008 0.000 0.212 718 L C 2.049 178.983 176.870 0.106 0.000 1.103 718 L CA 1.425 56.447 54.840 0.303 0.000 0.769 718 L CB -1.124 41.192 42.059 0.429 0.000 0.908 718 L HN 0.257 nan 8.230 nan 0.000 0.438 719 L N -1.114 120.108 121.223 -0.001 0.000 2.554 719 L HA 0.061 4.405 4.340 0.008 0.000 0.226 719 L C 1.429 178.201 176.870 -0.163 0.000 1.137 719 L CA 0.254 54.978 54.840 -0.193 0.000 0.863 719 L CB -0.290 41.571 42.059 -0.331 0.000 0.985 719 L HN 0.177 nan 8.230 nan 0.000 0.451 720 A N 0.611 123.334 122.820 -0.161 0.000 3.181 720 A HA 0.124 4.449 4.320 0.008 0.000 0.293 720 A C -0.139 177.320 177.584 -0.207 0.000 1.346 720 A CA -0.480 51.443 52.037 -0.189 0.000 1.018 720 A CB -0.748 18.120 19.000 -0.220 0.000 1.093 720 A HN 0.490 nan 8.150 nan 0.000 0.629 721 D N -0.557 119.759 120.400 -0.141 0.000 3.594 721 D HA -0.143 4.502 4.640 0.008 0.000 0.197 721 D C -2.652 173.560 176.300 -0.148 0.000 1.142 721 D CA 0.177 54.114 54.000 -0.104 0.000 0.988 721 D CB -0.988 39.769 40.800 -0.072 0.000 0.822 721 D HN 0.286 nan 8.370 nan 0.000 0.420 722 P HA 0.220 nan 4.420 nan 0.000 0.269 722 P C 0.098 177.382 177.300 -0.027 0.000 1.215 722 P CA -0.044 62.974 63.100 -0.136 0.000 0.780 722 P CB 0.613 32.381 31.700 0.114 0.000 0.898 723 K N 1.381 121.791 120.400 0.016 0.000 2.522 723 K HA 0.594 4.919 4.320 0.008 0.000 0.275 723 K C -0.387 176.290 176.600 0.128 0.000 1.006 723 K CA -0.731 55.587 56.287 0.053 0.000 0.890 723 K CB 2.111 34.625 32.500 0.024 0.000 1.475 723 K HN 0.514 nan 8.250 nan 0.000 0.441 724 I N -1.788 118.854 120.570 0.120 0.000 2.740 724 I HA 0.490 4.664 4.170 0.008 0.000 0.303 724 I C -0.730 175.514 176.117 0.212 0.000 1.044 724 I CA -0.835 60.580 61.300 0.191 0.000 1.064 724 I CB 2.226 40.327 38.000 0.169 0.000 1.249 724 I HN 0.320 nan 8.210 nan 0.000 0.433 725 Q N 3.561 123.524 119.800 0.272 0.000 2.309 725 Q HA 0.424 4.769 4.340 0.008 0.000 0.264 725 Q C -1.259 175.054 176.000 0.522 0.000 1.008 725 Q CA -0.796 55.202 55.803 0.325 0.000 0.853 725 Q CB 2.711 31.599 28.738 0.249 0.000 1.314 725 Q HN 0.753 nan 8.270 nan 0.000 0.448 726 E N 1.774 122.254 120.200 0.468 0.000 2.195 726 E HA 0.527 4.882 4.350 0.008 0.000 0.271 726 E C -2.620 174.094 176.600 0.189 0.000 0.923 726 E CA -2.396 54.215 56.400 0.353 0.000 0.790 726 E CB 1.573 31.440 29.700 0.277 0.000 1.155 726 E HN 0.178 nan 8.360 nan 0.000 0.402 727 P HA 0.036 nan 4.420 nan 0.000 0.271 727 P C -0.607 176.367 177.300 -0.544 0.000 1.216 727 P CA -0.336 62.453 63.100 -0.518 0.000 0.776 727 P CB 1.059 32.364 31.700 -0.658 0.000 0.881 728 V N 4.306 123.744 119.914 -0.794 0.000 2.588 728 V HA 0.316 4.440 4.120 0.008 0.000 0.304 728 V C 0.075 175.704 176.094 -0.775 0.000 1.042 728 V CA -0.537 61.299 62.300 -0.773 0.000 0.877 728 V CB 1.218 32.471 31.823 -0.950 0.000 0.996 728 V HN 0.333 nan 8.190 nan 0.000 0.425 729 F N 3.886 123.632 119.950 -0.341 0.000 2.382 729 F HA 0.544 5.076 4.527 0.008 0.000 0.331 729 F C 0.104 175.828 175.800 -0.126 0.000 1.121 729 F CA -0.755 57.094 58.000 -0.251 0.000 1.183 729 F CB 1.149 40.014 39.000 -0.226 0.000 1.207 729 F HN 0.309 nan 8.300 nan 0.000 0.555 730 L N 3.372 124.684 121.223 0.149 0.000 2.276 730 L HA 0.566 4.911 4.340 0.008 0.000 0.286 730 L C -1.100 175.751 176.870 -0.032 0.000 1.024 730 L CA -0.444 54.441 54.840 0.074 0.000 0.826 730 L CB 0.752 42.852 42.059 0.069 0.000 1.211 730 L HN 0.276 nan 8.230 nan 0.000 0.422 731 V N 4.934 124.790 119.914 -0.096 0.000 2.394 731 V HA 0.444 4.569 4.120 0.008 0.000 0.282 731 V C -0.030 176.009 176.094 -0.092 0.000 1.031 731 V CA -0.625 61.596 62.300 -0.132 0.000 0.881 731 V CB 1.369 33.073 31.823 -0.198 0.000 0.982 731 V HN 0.797 nan 8.190 nan 0.000 0.451 732 E N 5.351 125.515 120.200 -0.061 0.000 2.129 732 E HA 0.590 4.944 4.350 0.008 0.000 0.268 732 E C -1.398 175.210 176.600 0.013 0.000 0.900 732 E CA -0.561 55.827 56.400 -0.020 0.000 0.755 732 E CB 1.276 30.977 29.700 0.002 0.000 1.117 732 E HN 0.682 nan 8.360 nan 0.000 0.410 733 I N 3.833 124.420 120.570 0.029 0.000 2.418 733 I HA 0.225 4.400 4.170 0.008 0.000 0.287 733 I C -0.533 175.642 176.117 0.097 0.000 1.008 733 I CA -1.003 60.333 61.300 0.059 0.000 1.104 733 I CB 1.871 39.890 38.000 0.032 0.000 1.264 733 I HN 0.432 nan 8.210 nan 0.000 0.438 734 Q N 4.482 124.377 119.800 0.158 0.000 2.243 734 Q HA 0.577 4.921 4.340 0.008 0.000 0.252 734 Q C -0.972 175.104 176.000 0.126 0.000 0.909 734 Q CA -0.005 55.883 55.803 0.141 0.000 0.922 734 Q CB 1.929 30.738 28.738 0.119 0.000 1.215 734 Q HN 0.706 nan 8.270 nan 0.000 0.427 735 C N 4.307 123.685 119.300 0.130 0.000 3.113 735 C HA 0.552 5.017 4.460 0.008 0.000 0.376 735 C C -2.787 172.314 174.990 0.186 0.000 1.077 735 C CA -1.739 57.350 59.018 0.118 0.000 1.253 735 C CB 1.471 29.260 27.740 0.081 0.000 1.637 735 C HN 0.635 nan 8.230 nan 0.000 0.535 736 P HA 0.131 nan 4.420 nan 0.000 0.268 736 P C 0.617 178.035 177.300 0.196 0.000 1.204 736 P CA 0.605 63.844 63.100 0.232 0.000 0.768 736 P CB 0.498 32.310 31.700 0.186 0.000 0.842 737 E N 3.300 123.664 120.200 0.274 0.000 2.136 737 E HA -0.358 3.996 4.350 0.008 0.000 0.202 737 E C 1.549 178.138 176.600 -0.018 0.000 1.019 737 E CA 1.814 58.259 56.400 0.074 0.000 0.819 737 E CB -0.043 29.791 29.700 0.223 0.000 0.739 737 E HN 0.545 nan 8.360 nan 0.000 0.458 738 Q N -0.374 119.453 119.800 0.045 0.000 2.112 738 Q HA -0.165 4.180 4.340 0.008 0.000 0.206 738 Q C 1.873 177.878 176.000 0.009 0.000 0.987 738 Q CA 1.706 57.523 55.803 0.024 0.000 0.858 738 Q CB -0.287 28.476 28.738 0.042 0.000 0.905 738 Q HN 0.268 nan 8.270 nan 0.000 0.420 739 A N 0.503 123.335 122.820 0.020 0.000 2.348 739 A HA 0.273 4.597 4.320 0.008 0.000 0.224 739 A C 1.972 179.558 177.584 0.003 0.000 1.227 739 A CA -0.180 51.865 52.037 0.013 0.000 0.885 739 A CB 0.227 19.239 19.000 0.019 0.000 0.933 739 A HN 0.190 nan 8.150 nan 0.000 0.506 740 V N 0.095 120.001 119.914 -0.014 0.000 2.469 740 V HA -0.220 3.904 4.120 0.008 0.000 0.251 740 V C 2.773 178.905 176.094 0.064 0.000 1.064 740 V CA 2.090 64.379 62.300 -0.018 0.000 1.066 740 V CB -1.085 30.658 31.823 -0.134 0.000 0.667 740 V HN 0.600 nan 8.190 nan 0.000 0.461 741 G N 0.154 108.990 108.800 0.060 0.000 2.450 741 G HA2 -0.186 3.779 3.960 0.008 0.000 0.220 741 G HA3 -0.186 3.779 3.960 0.008 0.000 0.220 741 G C 1.569 176.533 174.900 0.108 0.000 1.130 741 G CA 0.931 46.098 45.100 0.110 0.000 0.760 741 G HN 0.599 nan 8.290 nan 0.000 0.557 742 G N 0.825 109.650 108.800 0.042 0.000 2.443 742 G HA2 -0.084 3.881 3.960 0.008 0.000 0.219 742 G HA3 -0.084 3.881 3.960 0.008 0.000 0.219 742 G C 1.710 176.602 174.900 -0.013 0.000 1.131 742 G CA 0.609 45.715 45.100 0.011 0.000 0.775 742 G HN 0.463 nan 8.290 nan 0.000 0.547 743 I N -0.572 119.970 120.570 -0.047 0.000 2.179 743 I HA -0.195 3.980 4.170 0.008 0.000 0.242 743 I C 2.340 178.372 176.117 -0.143 0.000 1.088 743 I CA 1.092 62.306 61.300 -0.144 0.000 1.357 743 I CB -0.294 37.541 38.000 -0.275 0.000 1.051 743 I HN 0.134 nan 8.210 nan 0.000 0.409 744 Y N -0.017 120.293 120.300 0.016 0.000 2.314 744 Y HA -0.177 4.377 4.550 0.007 0.000 0.293 744 Y C 2.963 178.880 175.900 0.029 0.000 1.129 744 Y CA 1.363 59.478 58.100 0.026 0.000 1.201 744 Y CB -0.610 37.854 38.460 0.006 0.000 0.999 744 Y HN 0.095 nan 8.280 nan 0.000 0.541 745 S N -0.312 115.479 115.700 0.151 0.000 2.359 745 S HA -0.163 4.312 4.470 0.008 0.000 0.224 745 S C 2.119 176.762 174.600 0.072 0.000 1.035 745 S CA 1.615 59.869 58.200 0.090 0.000 1.018 745 S CB -0.639 62.592 63.200 0.053 0.000 0.876 745 S HN 0.203 nan 8.310 nan 0.000 0.448 746 V N 1.943 121.885 119.914 0.048 0.000 2.379 746 V HA -0.066 4.059 4.120 0.008 0.000 0.245 746 V C 2.380 178.555 176.094 0.135 0.000 1.044 746 V CA 1.618 63.948 62.300 0.051 0.000 1.036 746 V CB -0.691 31.102 31.823 -0.050 0.000 0.664 746 V HN 0.462 nan 8.190 nan 0.000 0.453 747 L N 0.395 121.709 121.223 0.151 0.000 2.131 747 L HA -0.145 4.200 4.340 0.008 0.000 0.210 747 L C 2.158 179.110 176.870 0.136 0.000 1.092 747 L CA 1.189 56.128 54.840 0.165 0.000 0.759 747 L CB -0.692 41.438 42.059 0.119 0.000 0.903 747 L HN 0.375 nan 8.230 nan 0.000 0.435 748 N N 0.809 119.585 118.700 0.128 0.000 2.573 748 N HA -0.120 4.624 4.740 0.008 0.000 0.187 748 N C 1.032 176.597 175.510 0.092 0.000 1.107 748 N CA 0.869 53.984 53.050 0.109 0.000 0.918 748 N CB -0.021 38.528 38.487 0.102 0.000 0.966 748 N HN 0.543 nan 8.380 nan 0.000 0.448 749 K N -1.070 119.388 120.400 0.097 0.000 2.564 749 K HA 0.322 4.646 4.320 0.008 0.000 0.205 749 K C 0.081 176.744 176.600 0.105 0.000 1.053 749 K CA -0.207 56.133 56.287 0.089 0.000 1.072 749 K CB 0.596 33.142 32.500 0.077 0.000 0.822 749 K HN -0.246 nan 8.250 nan 0.000 0.497 750 K N 1.254 121.724 120.400 0.118 0.000 2.592 750 K HA 0.280 4.605 4.320 0.008 0.000 0.203 750 K C -0.556 176.103 176.600 0.097 0.000 1.070 750 K CA -0.327 56.034 56.287 0.124 0.000 1.062 750 K CB 0.567 33.166 32.500 0.166 0.000 0.814 750 K HN 0.173 nan 8.250 nan 0.000 0.502 751 R N -0.377 120.177 120.500 0.091 0.000 3.627 751 R HA -0.169 4.175 4.340 0.008 0.000 0.281 751 R C 0.369 176.720 176.300 0.085 0.000 1.140 751 R CA 0.675 56.825 56.100 0.083 0.000 0.761 751 R CB -2.136 28.211 30.300 0.078 0.000 1.181 751 R HN 0.393 nan 8.270 nan 0.000 0.472 752 G N 0.579 109.433 108.800 0.090 0.000 2.503 752 G HA2 0.238 4.203 3.960 0.008 0.000 0.257 752 G HA3 0.238 4.203 3.960 0.008 0.000 0.257 752 G C -0.427 174.538 174.900 0.109 0.000 1.214 752 G CA -0.325 44.828 45.100 0.088 0.000 0.839 752 G HN 0.217 nan 8.290 nan 0.000 0.559 753 Q N 1.308 121.184 119.800 0.128 0.000 2.337 753 Q HA 0.394 4.738 4.340 0.008 0.000 0.264 753 Q C -0.799 175.258 176.000 0.095 0.000 1.007 753 Q CA -0.655 55.235 55.803 0.146 0.000 0.727 753 Q CB 1.688 30.559 28.738 0.221 0.000 1.256 753 Q HN 0.360 nan 8.270 nan 0.000 0.467 754 V N 4.693 124.663 119.914 0.093 0.000 2.540 754 V HA -0.034 4.091 4.120 0.008 0.000 0.297 754 V C 1.002 177.106 176.094 0.017 0.000 1.024 754 V CA 0.308 62.648 62.300 0.068 0.000 1.105 754 V CB 1.018 32.956 31.823 0.192 0.000 0.938 754 V HN 0.790 nan 8.190 nan 0.000 0.482 755 V N 3.464 123.331 119.914 -0.078 0.000 2.672 755 V HA 0.128 4.253 4.120 0.008 0.000 0.242 755 V C 0.745 176.821 176.094 -0.031 0.000 1.059 755 V CA 1.433 63.667 62.300 -0.111 0.000 1.081 755 V CB 0.659 32.301 31.823 -0.302 0.000 0.752 755 V HN 1.020 nan 8.190 nan 0.000 0.472 756 S N -0.816 114.879 115.700 -0.009 0.000 2.565 756 S HA 0.504 4.978 4.470 0.008 0.000 0.274 756 S C -1.196 173.452 174.600 0.080 0.000 1.144 756 S CA -0.738 57.483 58.200 0.035 0.000 0.849 756 S CB 2.385 65.593 63.200 0.013 0.000 1.103 756 S HN 0.323 nan 8.310 nan 0.000 0.455 757 E N 0.766 121.041 120.200 0.126 0.000 2.235 757 E HA 0.397 4.751 4.350 0.008 0.000 0.252 757 E C -1.137 175.580 176.600 0.194 0.000 0.886 757 E CA -0.205 56.315 56.400 0.200 0.000 0.767 757 E CB 1.228 31.099 29.700 0.284 0.000 1.205 757 E HN 0.702 nan 8.360 nan 0.000 0.421 758 E N 3.811 124.105 120.200 0.157 0.000 2.227 758 E HA 0.236 4.591 4.350 0.008 0.000 0.268 758 E C -1.252 175.316 176.600 -0.053 0.000 0.907 758 E CA -0.657 55.780 56.400 0.061 0.000 0.786 758 E CB 1.843 31.554 29.700 0.017 0.000 1.191 758 E HN 0.472 nan 8.360 nan 0.000 0.411 759 Q N 3.040 122.684 119.800 -0.260 0.000 2.312 759 Q HA 0.280 4.624 4.340 0.008 0.000 0.263 759 Q C -0.909 174.889 176.000 -0.337 0.000 0.995 759 Q CA -0.873 54.540 55.803 -0.650 0.000 0.853 759 Q CB 1.572 29.674 28.738 -1.058 0.000 1.300 759 Q HN 0.507 nan 8.270 nan 0.000 0.448 760 R N 4.197 124.526 120.500 -0.285 0.000 2.401 760 R HA 0.213 4.558 4.340 0.008 0.000 0.299 760 R C -2.220 173.996 176.300 -0.140 0.000 1.064 760 R CA -1.299 54.714 56.100 -0.144 0.000 1.000 760 R CB 0.379 30.638 30.300 -0.069 0.000 0.973 760 R HN 0.384 nan 8.270 nan 0.000 0.438 761 P HA 0.012 nan 4.420 nan 0.000 0.260 761 P C 0.257 177.512 177.300 -0.074 0.000 1.207 761 P CA 1.029 64.081 63.100 -0.081 0.000 0.780 761 P CB 0.805 32.471 31.700 -0.056 0.000 0.789 762 G N 2.563 111.314 108.800 -0.082 0.000 2.659 762 G HA2 -0.236 3.728 3.960 0.008 0.000 0.212 762 G HA3 -0.236 3.728 3.960 0.008 0.000 0.212 762 G C 0.461 175.299 174.900 -0.103 0.000 1.226 762 G CA 0.174 45.227 45.100 -0.079 0.000 0.739 762 G HN 0.752 nan 8.290 nan 0.000 0.528 763 T N 0.743 115.230 114.554 -0.112 0.000 2.788 763 T HA 0.602 4.957 4.350 0.008 0.000 0.287 763 T C -1.442 173.189 174.700 -0.114 0.000 1.007 763 T CA -0.439 61.565 62.100 -0.159 0.000 1.005 763 T CB 2.167 70.980 68.868 -0.093 0.000 1.012 763 T HN 0.308 nan 8.240 nan 0.000 0.530 764 P HA 0.269 nan 4.420 nan 0.000 0.249 764 P C -0.431 177.009 177.300 0.233 0.000 1.583 764 P CA -0.406 62.739 63.100 0.074 0.000 0.988 764 P CB -0.161 31.581 31.700 0.071 0.000 1.530 765 L N 0.785 122.112 121.223 0.174 0.000 2.265 765 L HA 0.469 4.814 4.340 0.008 0.000 0.288 765 L C -0.711 176.189 176.870 0.049 0.000 1.058 765 L CA -0.511 54.470 54.840 0.234 0.000 0.809 765 L CB -0.109 42.103 42.059 0.254 0.000 1.179 765 L HN -0.216 nan 8.230 nan 0.000 0.429 766 F N 2.457 122.457 119.950 0.084 0.000 2.458 766 F HA 0.542 5.073 4.527 0.007 0.000 0.330 766 F C 0.608 176.439 175.800 0.050 0.000 1.082 766 F CA -0.399 57.640 58.000 0.065 0.000 0.995 766 F CB 2.008 41.052 39.000 0.074 0.000 1.170 766 F HN 0.319 nan 8.300 nan 0.000 0.478 767 T N 3.007 117.675 114.554 0.190 0.000 2.842 767 T HA 0.470 4.824 4.350 0.008 0.000 0.308 767 T C -0.748 174.022 174.700 0.116 0.000 1.041 767 T CA -0.499 61.673 62.100 0.121 0.000 0.964 767 T CB 0.760 69.666 68.868 0.063 0.000 0.972 767 T HN 0.210 nan 8.240 nan 0.000 0.460 768 V N 4.997 124.957 119.914 0.077 0.000 2.370 768 V HA 0.429 4.554 4.120 0.008 0.000 0.279 768 V C 0.118 176.196 176.094 -0.027 0.000 1.029 768 V CA -0.780 61.531 62.300 0.018 0.000 0.870 768 V CB 1.294 33.062 31.823 -0.092 0.000 0.984 768 V HN 0.688 nan 8.190 nan 0.000 0.451 769 K N 3.614 123.989 120.400 -0.041 0.000 2.244 769 K HA 0.868 5.193 4.320 0.008 0.000 0.260 769 K C -0.507 176.000 176.600 -0.156 0.000 0.951 769 K CA -0.350 55.878 56.287 -0.097 0.000 0.826 769 K CB 2.233 34.673 32.500 -0.101 0.000 1.108 769 K HN 0.828 nan 8.250 nan 0.000 0.433 770 A N 2.419 125.120 122.820 -0.198 0.000 2.606 770 A HA 0.538 4.862 4.320 0.008 0.000 0.293 770 A C -1.868 175.579 177.584 -0.228 0.000 1.082 770 A CA -0.777 51.131 52.037 -0.214 0.000 0.685 770 A CB 0.664 19.608 19.000 -0.093 0.000 1.284 770 A HN 0.541 nan 8.150 nan 0.000 0.408 771 Y N 0.127 120.424 120.300 -0.005 0.000 2.304 771 Y HA 0.574 5.129 4.550 0.008 0.000 0.328 771 Y C -0.033 175.836 175.900 -0.052 0.000 1.123 771 Y CA -0.480 57.608 58.100 -0.019 0.000 1.218 771 Y CB 1.489 39.976 38.460 0.045 0.000 1.207 771 Y HN 0.547 nan 8.280 nan 0.000 0.495 772 L N 6.716 127.989 121.223 0.084 0.000 2.446 772 L HA 0.605 4.950 4.340 0.008 0.000 0.268 772 L C -2.923 173.929 176.870 -0.030 0.000 0.975 772 L CA -2.461 52.368 54.840 -0.017 0.000 0.848 772 L CB 1.816 43.763 42.059 -0.187 0.000 1.225 772 L HN 0.280 nan 8.230 nan 0.000 0.410 773 P HA 0.030 nan 4.420 nan 0.000 0.262 773 P C 1.040 178.281 177.300 -0.098 0.000 1.182 773 P CA 0.007 63.049 63.100 -0.097 0.000 0.761 773 P CB 0.746 32.440 31.700 -0.010 0.000 0.795 774 V N 2.876 122.619 119.914 -0.284 0.000 2.392 774 V HA -0.273 3.852 4.120 0.008 0.000 0.249 774 V C 1.900 177.961 176.094 -0.055 0.000 1.059 774 V CA 2.409 64.528 62.300 -0.302 0.000 1.051 774 V CB -1.249 30.200 31.823 -0.624 0.000 0.658 774 V HN 0.678 nan 8.190 nan 0.000 0.455 775 N N 0.083 118.804 118.700 0.035 0.000 2.521 775 N HA -0.116 4.629 4.740 0.008 0.000 0.188 775 N C 1.118 176.797 175.510 0.280 0.000 1.146 775 N CA 0.761 53.962 53.050 0.253 0.000 0.893 775 N CB -0.198 38.440 38.487 0.252 0.000 0.975 775 N HN 0.509 nan 8.380 nan 0.000 0.451 776 E N -0.581 119.722 120.200 0.171 0.000 2.562 776 E HA 0.079 4.433 4.350 0.008 0.000 0.214 776 E C 0.452 177.144 176.600 0.153 0.000 0.979 776 E CA 0.186 56.688 56.400 0.169 0.000 1.002 776 E CB 0.481 30.248 29.700 0.112 0.000 1.048 776 E HN 0.512 nan 8.360 nan 0.000 0.488 777 S N -0.390 115.361 115.700 0.086 0.000 2.556 777 S HA 0.154 4.628 4.470 0.008 0.000 0.216 777 S C 0.532 175.140 174.600 0.014 0.000 0.970 777 S CA -0.512 57.687 58.200 -0.002 0.000 0.912 777 S CB -0.507 62.660 63.200 -0.055 0.000 0.790 777 S HN -0.016 nan 8.310 nan 0.000 0.504 778 F N 3.046 123.077 119.950 0.135 0.000 2.494 778 F HA 0.475 5.006 4.527 0.007 0.000 0.369 778 F C 1.676 177.540 175.800 0.108 0.000 1.098 778 F CA 0.880 58.946 58.000 0.110 0.000 1.154 778 F CB 0.184 39.238 39.000 0.090 0.000 1.103 778 F HN 0.357 nan 8.300 nan 0.000 0.549 779 G N 3.232 112.168 108.800 0.228 0.000 2.132 779 G HA2 -0.382 3.583 3.960 0.008 0.000 0.234 779 G HA3 -0.382 3.583 3.960 0.008 0.000 0.234 779 G C 0.752 175.725 174.900 0.121 0.000 0.989 779 G CA 0.216 45.404 45.100 0.147 0.000 0.676 779 G HN 0.644 nan 8.290 nan 0.000 0.522 780 F N 2.203 122.150 119.950 -0.004 0.000 2.113 780 F HA -0.065 4.467 4.527 0.009 0.000 0.297 780 F C 2.815 178.584 175.800 -0.052 0.000 1.103 780 F CA 2.954 60.937 58.000 -0.029 0.000 1.248 780 F CB -0.452 38.513 39.000 -0.058 0.000 0.999 780 F HN 0.325 nan 8.300 nan 0.000 0.475 781 T N -2.099 112.423 114.554 -0.053 0.000 2.788 781 T HA -0.071 4.283 4.350 0.008 0.000 0.268 781 T C 2.283 176.876 174.700 -0.178 0.000 1.044 781 T CA 1.168 63.170 62.100 -0.164 0.000 1.139 781 T CB -1.549 67.274 68.868 -0.075 0.000 0.867 781 T HN 0.328 nan 8.240 nan 0.000 0.454 782 G N 1.233 109.969 108.800 -0.106 0.000 2.402 782 G HA2 -0.108 3.857 3.960 0.008 0.000 0.216 782 G HA3 -0.108 3.857 3.960 0.008 0.000 0.216 782 G C 1.566 176.403 174.900 -0.106 0.000 1.162 782 G CA 0.619 45.673 45.100 -0.076 0.000 0.777 782 G HN 0.629 nan 8.290 nan 0.000 0.539 783 E N -0.281 119.833 120.200 -0.144 0.000 2.072 783 E HA -0.046 4.308 4.350 0.008 0.000 0.190 783 E C 2.382 178.847 176.600 -0.224 0.000 0.982 783 E CA 0.531 56.840 56.400 -0.150 0.000 0.803 783 E CB -0.158 29.468 29.700 -0.123 0.000 0.755 783 E HN 0.325 nan 8.360 nan 0.000 0.453 784 L N 1.432 122.413 121.223 -0.404 0.000 2.131 784 L HA -0.148 4.197 4.340 0.008 0.000 0.210 784 L C 2.342 179.080 176.870 -0.220 0.000 1.092 784 L CA 1.523 56.117 54.840 -0.410 0.000 0.759 784 L CB -0.296 41.353 42.059 -0.684 0.000 0.903 784 L HN -0.100 nan 8.230 nan 0.000 0.435 785 R N -0.292 120.102 120.500 -0.176 0.000 2.082 785 R HA -0.246 4.099 4.340 0.008 0.000 0.234 785 R C 2.453 178.714 176.300 -0.066 0.000 1.136 785 R CA 2.319 58.362 56.100 -0.094 0.000 0.935 785 R CB -0.704 29.559 30.300 -0.062 0.000 0.842 785 R HN 0.640 nan 8.270 nan 0.000 0.430 786 Q N -0.771 118.990 119.800 -0.064 0.000 2.084 786 Q HA -0.119 4.225 4.340 0.008 0.000 0.202 786 Q C 1.767 177.742 176.000 -0.041 0.000 0.978 786 Q CA 1.817 57.596 55.803 -0.041 0.000 0.844 786 Q CB -0.265 28.452 28.738 -0.034 0.000 0.898 786 Q HN 0.469 nan 8.270 nan 0.000 0.426 787 A N 0.056 122.839 122.820 -0.062 0.000 2.178 787 A HA -0.102 4.222 4.320 0.008 0.000 0.218 787 A C 1.746 179.306 177.584 -0.039 0.000 1.157 787 A CA 1.631 53.638 52.037 -0.050 0.000 0.689 787 A CB -0.339 18.620 19.000 -0.068 0.000 0.787 787 A HN 0.606 nan 8.150 nan 0.000 0.465 788 T N -6.238 108.290 114.554 -0.044 0.000 3.111 788 T HA 0.434 4.789 4.350 0.008 0.000 0.284 788 T C 1.172 175.864 174.700 -0.012 0.000 0.983 788 T CA 0.963 63.047 62.100 -0.026 0.000 0.900 788 T CB 0.085 68.933 68.868 -0.033 0.000 1.132 788 T HN 1.615 nan 8.240 nan 0.000 0.531 789 G N 1.102 109.893 108.800 -0.014 0.000 2.203 789 G HA2 0.096 4.061 3.960 0.008 0.000 0.263 789 G HA3 0.096 4.061 3.960 0.008 0.000 0.263 789 G C 1.196 176.096 174.900 -0.001 0.000 1.012 789 G CA 0.536 45.634 45.100 -0.004 0.000 0.749 789 G HN 1.884 nan 8.290 nan 0.000 0.512 790 G N -1.882 106.913 108.800 -0.008 0.000 2.157 790 G HA2 -0.276 3.689 3.960 0.008 0.000 0.248 790 G HA3 -0.276 3.689 3.960 0.008 0.000 0.248 790 G C 1.047 175.953 174.900 0.010 0.000 0.979 790 G CA 1.223 46.323 45.100 -0.001 0.000 0.650 790 G HN 0.789 nan 8.290 nan 0.000 0.529 791 Q N -0.149 119.657 119.800 0.010 0.000 2.245 791 Q HA 0.313 4.657 4.340 0.008 0.000 0.201 791 Q C 1.812 177.834 176.000 0.036 0.000 0.955 791 Q CA 1.095 56.909 55.803 0.018 0.000 0.870 791 Q CB -0.116 28.636 28.738 0.024 0.000 0.945 791 Q HN 1.079 nan 8.270 nan 0.000 0.461 792 A N 0.969 123.805 122.820 0.027 0.000 2.425 792 A HA 0.274 4.599 4.320 0.008 0.000 0.249 792 A C -0.781 176.864 177.584 0.102 0.000 1.084 792 A CA -0.116 51.946 52.037 0.043 0.000 0.781 792 A CB -0.082 18.906 19.000 -0.020 0.000 1.019 792 A HN 0.230 nan 8.150 nan 0.000 0.490 793 F N 4.509 124.436 119.950 -0.039 0.000 2.451 793 F HA 0.470 5.001 4.527 0.007 0.000 0.367 793 F C -2.469 173.321 175.800 -0.018 0.000 1.100 793 F CA -2.615 55.363 58.000 -0.037 0.000 1.171 793 F CB 1.414 40.389 39.000 -0.042 0.000 1.405 793 F HN 0.304 nan 8.300 nan 0.000 0.482 794 P HA 0.186 nan 4.420 nan 0.000 0.272 794 P C -1.506 175.591 177.300 -0.339 0.000 1.230 794 P CA -0.092 62.885 63.100 -0.205 0.000 0.788 794 P CB 0.731 32.360 31.700 -0.119 0.000 0.949 795 Q N 1.480 121.167 119.800 -0.188 0.000 2.842 795 Q HA 0.320 4.665 4.340 0.008 0.000 0.215 795 Q C -1.618 174.293 176.000 -0.149 0.000 0.764 795 Q CA -0.209 55.491 55.803 -0.172 0.000 0.994 795 Q CB 0.277 28.964 28.738 -0.085 0.000 1.554 795 Q HN 0.454 nan 8.270 nan 0.000 0.475 796 M N 1.363 120.822 119.600 -0.234 0.000 2.393 796 M HA 0.835 5.320 4.480 0.008 0.000 0.316 796 M C -1.579 174.565 176.300 -0.261 0.000 1.087 796 M CA -1.060 54.059 55.300 -0.301 0.000 0.937 796 M CB 2.223 34.482 32.600 -0.567 0.000 1.668 796 M HN 0.221 nan 8.290 nan 0.000 0.438 797 V N 3.763 123.646 119.914 -0.051 0.000 2.876 797 V HA 0.575 4.700 4.120 0.008 0.000 0.312 797 V C -1.184 175.100 176.094 0.316 0.000 1.085 797 V CA -0.734 61.634 62.300 0.114 0.000 0.945 797 V CB 2.330 34.199 31.823 0.076 0.000 1.017 797 V HN 0.843 nan 8.190 nan 0.000 0.428 798 F N 4.309 124.392 119.950 0.220 0.000 2.607 798 F HA 0.196 4.728 4.527 0.007 0.000 0.374 798 F C 0.779 176.533 175.800 -0.077 0.000 1.104 798 F CA 1.283 59.269 58.000 -0.023 0.000 1.296 798 F CB 0.993 39.878 39.000 -0.191 0.000 1.085 798 F HN 0.831 nan 8.300 nan 0.000 0.584 799 D N 2.267 122.046 120.400 -1.034 0.000 3.084 799 D HA 0.079 4.724 4.640 0.008 0.000 0.294 799 D C -0.550 175.248 176.300 -0.836 0.000 1.165 799 D CA 0.701 54.325 54.000 -0.626 0.000 1.008 799 D CB 0.294 41.000 40.800 -0.158 0.000 1.266 799 D HN 0.663 nan 8.370 nan 0.000 0.449 800 H N -2.756 115.569 119.070 -1.241 0.000 3.014 800 H HA 0.257 4.818 4.556 0.007 0.000 0.337 800 H C -1.522 173.415 175.328 -0.651 0.000 1.320 800 H CA -1.044 54.550 56.048 -0.757 0.000 1.128 800 H CB -0.309 29.220 29.762 -0.389 0.000 1.862 800 H HN 0.019 nan 8.280 nan 0.000 0.536 801 W N 0.871 122.198 121.300 0.045 0.000 2.381 801 W HA 0.520 5.185 4.660 0.008 0.000 0.329 801 W C 0.352 176.957 176.519 0.142 0.000 1.157 801 W CA -0.628 56.774 57.345 0.095 0.000 1.240 801 W CB 1.742 31.300 29.460 0.163 0.000 1.199 801 W HN 0.530 nan 8.180 nan 0.000 0.579 802 S N 1.344 117.248 115.700 0.341 0.000 2.647 802 S HA 0.394 4.868 4.470 0.008 0.000 0.300 802 S C -0.581 174.148 174.600 0.214 0.000 1.129 802 S CA -0.625 57.719 58.200 0.240 0.000 1.029 802 S CB 0.539 63.837 63.200 0.163 0.000 1.007 802 S HN 0.321 nan 8.310 nan 0.000 0.484 803 T N 6.087 120.740 114.554 0.165 0.000 2.799 803 T HA 0.265 4.620 4.350 0.008 0.000 0.296 803 T C 0.298 175.063 174.700 0.109 0.000 0.947 803 T CA -0.057 62.123 62.100 0.134 0.000 1.141 803 T CB -0.131 68.793 68.868 0.093 0.000 0.891 803 T HN 0.542 nan 8.240 nan 0.000 0.533 804 L N 2.827 124.118 121.223 0.115 0.000 2.426 804 L HA 0.264 4.609 4.340 0.008 0.000 0.271 804 L C 1.855 178.758 176.870 0.055 0.000 1.169 804 L CA -0.354 54.537 54.840 0.085 0.000 0.836 804 L CB 0.375 42.485 42.059 0.084 0.000 1.112 804 L HN 0.833 nan 8.230 nan 0.000 0.465 805 G N 1.409 110.235 108.800 0.043 0.000 2.403 805 G HA2 -0.135 3.830 3.960 0.008 0.000 0.216 805 G HA3 -0.135 3.830 3.960 0.008 0.000 0.216 805 G C 0.826 175.737 174.900 0.019 0.000 1.154 805 G CA 0.406 45.523 45.100 0.028 0.000 0.784 805 G HN 0.677 nan 8.290 nan 0.000 0.538 806 S N 0.327 116.037 115.700 0.017 0.000 2.580 806 S HA 0.185 4.660 4.470 0.008 0.000 0.266 806 S C -0.332 174.267 174.600 -0.002 0.000 1.354 806 S CA -0.420 57.783 58.200 0.005 0.000 1.008 806 S CB 1.376 64.576 63.200 -0.000 0.000 0.898 806 S HN 0.153 nan 8.310 nan 0.000 0.555 807 D N 1.573 121.968 120.400 -0.007 0.000 2.325 807 D HA 0.286 4.931 4.640 0.008 0.000 0.251 807 D C -1.160 175.125 176.300 -0.025 0.000 1.196 807 D CA -2.432 51.562 54.000 -0.009 0.000 0.866 807 D CB 1.124 41.923 40.800 -0.002 0.000 1.101 807 D HN 0.228 nan 8.370 nan 0.000 0.476 808 P HA -0.113 nan 4.420 nan 0.000 0.222 808 P C 1.370 178.632 177.300 -0.063 0.000 1.147 808 P CA 0.731 63.785 63.100 -0.078 0.000 0.790 808 P CB 0.344 32.008 31.700 -0.061 0.000 0.780 809 L N -0.888 120.325 121.223 -0.017 0.000 2.492 809 L HA 0.094 4.439 4.340 0.008 0.000 0.223 809 L C 1.050 177.914 176.870 -0.010 0.000 1.132 809 L CA 0.342 55.183 54.840 0.001 0.000 0.850 809 L CB -0.645 41.433 42.059 0.033 0.000 0.966 809 L HN -0.078 nan 8.230 nan 0.000 0.454 810 D N 0.613 121.002 120.400 -0.019 0.000 2.380 810 D HA 0.144 4.788 4.640 0.008 0.000 0.230 810 D C -1.745 174.536 176.300 -0.031 0.000 1.154 810 D CA -2.333 51.656 54.000 -0.018 0.000 0.859 810 D CB 1.606 42.398 40.800 -0.012 0.000 1.045 810 D HN -0.154 nan 8.370 nan 0.000 0.495 811 P HA -0.094 nan 4.420 nan 0.000 0.222 811 P C 1.061 178.343 177.300 -0.031 0.000 1.147 811 P CA 1.192 64.271 63.100 -0.034 0.000 0.790 811 P CB 0.165 31.851 31.700 -0.023 0.000 0.780 812 T N -4.872 109.668 114.554 -0.022 0.000 3.051 812 T HA 0.064 4.418 4.350 0.008 0.000 0.255 812 T C 1.082 175.772 174.700 -0.017 0.000 1.085 812 T CA 0.081 62.171 62.100 -0.016 0.000 1.109 812 T CB -0.783 68.080 68.868 -0.009 0.000 0.921 812 T HN 0.145 nan 8.240 nan 0.000 0.488 813 S N 1.132 116.820 115.700 -0.021 0.000 2.608 813 S HA 0.307 4.781 4.470 0.008 0.000 0.261 813 S C 1.256 175.840 174.600 -0.027 0.000 1.314 813 S CA -0.861 57.328 58.200 -0.019 0.000 0.992 813 S CB 0.867 64.056 63.200 -0.019 0.000 0.935 813 S HN 0.043 nan 8.310 nan 0.000 0.564 814 K N 1.035 121.425 120.400 -0.016 0.000 2.026 814 K HA -0.050 4.274 4.320 0.008 0.000 0.208 814 K C 2.468 179.039 176.600 -0.049 0.000 1.048 814 K CA 1.726 58.004 56.287 -0.015 0.000 0.929 814 K CB -1.473 31.034 32.500 0.011 0.000 0.713 814 K HN 0.780 nan 8.250 nan 0.000 0.439 815 A N 0.835 123.620 122.820 -0.059 0.000 1.898 815 A HA -0.055 4.269 4.320 0.008 0.000 0.216 815 A C 2.492 179.962 177.584 -0.190 0.000 1.181 815 A CA 2.062 54.028 52.037 -0.120 0.000 0.620 815 A CB -1.063 17.888 19.000 -0.080 0.000 0.819 815 A HN 0.386 nan 8.150 nan 0.000 0.442 816 G N -0.434 108.288 108.800 -0.130 0.000 2.418 816 G HA2 -0.259 3.706 3.960 0.008 0.000 0.217 816 G HA3 -0.259 3.706 3.960 0.008 0.000 0.217 816 G C 1.458 176.276 174.900 -0.136 0.000 1.158 816 G CA 1.108 46.128 45.100 -0.134 0.000 0.771 816 G HN 0.685 nan 8.290 nan 0.000 0.545 817 E N 0.204 120.344 120.200 -0.100 0.000 2.097 817 E HA -0.155 4.199 4.350 0.008 0.000 0.196 817 E C 2.444 178.978 176.600 -0.111 0.000 1.000 817 E CA 0.997 57.350 56.400 -0.079 0.000 0.804 817 E CB -0.231 29.441 29.700 -0.046 0.000 0.740 817 E HN 0.529 nan 8.360 nan 0.000 0.454 818 I N 0.475 120.944 120.570 -0.169 0.000 2.179 818 I HA -0.259 3.915 4.170 0.008 0.000 0.242 818 I C 2.459 178.380 176.117 -0.327 0.000 1.088 818 I CA 0.755 61.912 61.300 -0.239 0.000 1.357 818 I CB -0.269 37.505 38.000 -0.377 0.000 1.051 818 I HN 0.086 nan 8.210 nan 0.000 0.409 819 V N 0.882 120.511 119.914 -0.475 0.000 2.233 819 V HA -0.306 3.819 4.120 0.008 0.000 0.247 819 V C 2.457 178.445 176.094 -0.178 0.000 1.050 819 V CA 1.944 63.917 62.300 -0.545 0.000 1.010 819 V CB -0.662 30.858 31.823 -0.504 0.000 0.637 819 V HN 0.356 nan 8.190 nan 0.000 0.444 820 L N 0.949 122.100 121.223 -0.120 0.000 1.990 820 L HA -0.200 4.144 4.340 0.008 0.000 0.213 820 L C 2.474 179.340 176.870 -0.006 0.000 1.072 820 L CA 2.638 57.453 54.840 -0.042 0.000 0.755 820 L CB -1.092 40.942 42.059 -0.040 0.000 0.889 820 L HN 0.251 nan 8.230 nan 0.000 0.432 821 A N -0.675 122.134 122.820 -0.018 0.000 1.908 821 A HA -0.174 4.151 4.320 0.008 0.000 0.218 821 A C 2.440 180.048 177.584 0.041 0.000 1.181 821 A CA 2.257 54.296 52.037 0.004 0.000 0.627 821 A CB -1.260 17.737 19.000 -0.004 0.000 0.818 821 A HN 0.652 nan 8.150 nan 0.000 0.445 822 A N -0.382 122.495 122.820 0.096 0.000 1.873 822 A HA -0.137 4.188 4.320 0.008 0.000 0.215 822 A C 2.228 179.993 177.584 0.302 0.000 1.186 822 A CA 1.390 53.571 52.037 0.240 0.000 0.616 822 A CB -0.475 18.823 19.000 0.497 0.000 0.823 822 A HN 0.447 nan 8.150 nan 0.000 0.442 823 R N 0.264 120.904 120.500 0.234 0.000 2.094 823 R HA -0.173 4.172 4.340 0.008 0.000 0.239 823 R C 2.075 178.461 176.300 0.143 0.000 1.137 823 R CA 1.896 58.115 56.100 0.198 0.000 0.943 823 R CB -0.819 29.549 30.300 0.112 0.000 0.850 823 R HN 0.593 nan 8.270 nan 0.000 0.433 824 K N 0.320 120.767 120.400 0.079 0.000 2.032 824 K HA -0.179 4.145 4.320 0.008 0.000 0.209 824 K C 2.257 178.870 176.600 0.021 0.000 1.048 824 K CA 1.539 57.851 56.287 0.041 0.000 0.927 824 K CB -0.252 32.259 32.500 0.018 0.000 0.712 824 K HN 0.111 nan 8.250 nan 0.000 0.441 825 R N 0.629 121.118 120.500 -0.017 0.000 2.105 825 R HA -0.167 4.177 4.340 0.008 0.000 0.239 825 R C 1.379 177.578 176.300 -0.169 0.000 1.135 825 R CA 1.738 57.765 56.100 -0.121 0.000 0.967 825 R CB -0.139 30.038 30.300 -0.205 0.000 0.861 825 R HN 0.385 nan 8.270 nan 0.000 0.442 826 H N -1.651 117.446 119.070 0.044 0.000 2.539 826 H HA 0.234 4.794 4.556 0.008 0.000 0.267 826 H C 0.958 176.304 175.328 0.030 0.000 0.982 826 H CA 0.584 56.655 56.048 0.038 0.000 1.146 826 H CB 0.901 30.692 29.762 0.048 0.000 1.382 826 H HN 0.543 nan 8.280 nan 0.000 0.577 827 G N 0.644 109.510 108.800 0.109 0.000 2.153 827 G HA2 -0.338 3.627 3.960 0.008 0.000 0.252 827 G HA3 -0.338 3.627 3.960 0.008 0.000 0.252 827 G C 0.287 175.233 174.900 0.077 0.000 0.994 827 G CA 0.343 45.485 45.100 0.071 0.000 0.698 827 G HN 0.247 nan 8.290 nan 0.000 0.521 828 M N -0.493 119.170 119.600 0.105 0.000 2.163 828 M HA 0.326 4.811 4.480 0.008 0.000 0.305 828 M C 0.960 177.297 176.300 0.062 0.000 1.166 828 M CA -0.261 55.089 55.300 0.085 0.000 1.132 828 M CB 0.499 33.161 32.600 0.103 0.000 1.413 828 M HN 0.136 nan 8.290 nan 0.000 0.478 829 K N 1.190 121.619 120.400 0.049 0.000 2.451 829 K HA -0.026 4.299 4.320 0.008 0.000 0.280 829 K C 0.469 177.092 176.600 0.038 0.000 1.020 829 K CA 0.153 56.459 56.287 0.033 0.000 1.008 829 K CB 0.627 33.140 32.500 0.021 0.000 0.917 829 K HN 0.603 nan 8.250 nan 0.000 0.478 830 E N 2.360 122.576 120.200 0.027 0.000 2.033 830 E HA -0.205 4.150 4.350 0.008 0.000 0.199 830 E C 0.007 176.619 176.600 0.020 0.000 1.011 830 E CA 1.383 57.797 56.400 0.023 0.000 0.815 830 E CB -0.037 29.670 29.700 0.012 0.000 0.755 830 E HN 0.669 nan 8.360 nan 0.000 0.451 831 E N 1.933 122.141 120.200 0.013 0.000 2.384 831 E HA 0.080 4.435 4.350 0.008 0.000 0.266 831 E C -0.109 176.507 176.600 0.027 0.000 1.012 831 E CA -0.144 56.263 56.400 0.012 0.000 0.901 831 E CB 1.056 30.758 29.700 0.003 0.000 0.967 831 E HN -0.147 nan 8.360 nan 0.000 0.435 832 V N 4.239 124.173 119.914 0.033 0.000 2.585 832 V HA 0.068 4.193 4.120 0.008 0.000 0.296 832 V C -1.818 174.319 176.094 0.071 0.000 1.035 832 V CA -1.151 61.186 62.300 0.062 0.000 1.084 832 V CB 0.071 31.933 31.823 0.065 0.000 0.953 832 V HN 0.660 nan 8.190 nan 0.000 0.483 833 P HA 0.212 nan 4.420 nan 0.000 0.268 833 P C 0.292 177.663 177.300 0.118 0.000 1.204 833 P CA 0.211 63.357 63.100 0.077 0.000 0.768 833 P CB 0.448 32.221 31.700 0.122 0.000 0.842 834 G N 2.466 111.278 108.800 0.020 0.000 2.539 834 G HA2 0.094 4.059 3.960 0.008 0.000 0.258 834 G HA3 0.094 4.059 3.960 0.008 0.000 0.258 834 G C 0.914 175.854 174.900 0.067 0.000 1.202 834 G CA -0.709 44.399 45.100 0.014 0.000 0.851 834 G HN 0.738 nan 8.290 nan 0.000 0.556 835 W N 0.594 121.990 121.300 0.160 0.000 2.364 835 W HA -0.134 4.530 4.660 0.007 0.000 0.281 835 W C 1.324 177.972 176.519 0.214 0.000 1.219 835 W CA 0.808 58.300 57.345 0.245 0.000 1.220 835 W CB -0.546 29.031 29.460 0.195 0.000 1.127 835 W HN 0.534 nan 8.180 nan 0.000 0.556 836 Q N 1.237 120.634 119.800 -0.672 0.000 2.170 836 Q HA -0.167 4.178 4.340 0.008 0.000 0.203 836 Q C 2.107 177.992 176.000 -0.191 0.000 0.976 836 Q CA 2.243 57.675 55.803 -0.618 0.000 0.858 836 Q CB -0.578 27.678 28.738 -0.803 0.000 0.907 836 Q HN 0.435 nan 8.270 nan 0.000 0.433 837 E N -0.658 119.408 120.200 -0.225 0.000 2.085 837 E HA -0.199 4.156 4.350 0.008 0.000 0.194 837 E C 1.338 177.773 176.600 -0.275 0.000 0.994 837 E CA 1.286 57.495 56.400 -0.320 0.000 0.801 837 E CB -0.060 29.308 29.700 -0.552 0.000 0.743 837 E HN 0.543 nan 8.360 nan 0.000 0.453 838 Y N -1.710 118.674 120.300 0.140 0.000 2.503 838 Y HA 0.023 4.578 4.550 0.008 0.000 0.278 838 Y C 0.873 176.875 175.900 0.170 0.000 1.111 838 Y CA -0.310 57.881 58.100 0.152 0.000 1.270 838 Y CB 0.033 38.625 38.460 0.221 0.000 1.063 838 Y HN 0.016 nan 8.280 nan 0.000 0.548 839 Y N 2.157 122.602 120.300 0.242 0.000 2.379 839 Y HA 0.019 4.574 4.550 0.008 0.000 0.337 839 Y C 0.546 176.498 175.900 0.088 0.000 1.238 839 Y CA -1.031 57.199 58.100 0.216 0.000 1.405 839 Y CB 0.353 39.021 38.460 0.347 0.000 1.310 839 Y HN -0.018 nan 8.280 nan 0.000 0.569 840 D N 4.339 124.670 120.400 -0.115 0.000 2.520 840 D HA -0.060 4.584 4.640 0.008 0.000 0.243 840 D C -0.750 175.656 176.300 0.176 0.000 1.160 840 D CA 0.323 54.312 54.000 -0.017 0.000 0.877 840 D CB 0.489 41.199 40.800 -0.151 0.000 1.150 840 D HN 0.236 nan 8.370 nan 0.000 0.494 841 K N 5.194 125.640 120.400 0.077 0.000 2.228 841 K HA 0.236 4.561 4.320 0.008 0.000 0.284 841 K C 0.013 176.644 176.600 0.051 0.000 1.088 841 K CA -0.103 56.216 56.287 0.053 0.000 0.941 841 K CB -0.650 31.851 32.500 0.001 0.000 1.158 841 K HN 0.517 nan 8.250 nan 0.000 0.438 842 L N 0.000 121.270 121.223 0.078 0.000 2.949 842 L HA 0.000 4.345 4.340 0.008 0.000 0.249 842 L CA 0.000 54.878 54.840 0.064 0.000 0.813 842 L CB 0.000 42.106 42.059 0.079 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502