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 1zm9_1_C 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 0.000 175.914 176.094 -0.299 0.000 1.182 2 V CA 0.000 62.151 62.300 -0.248 0.000 1.235 2 V CB 0.000 31.541 31.823 -0.470 0.000 1.184 3 A N 1.743 124.319 122.820 -0.407 0.000 2.318 3 A HA 0.944 5.264 4.320 0.001 0.000 0.317 3 A C -1.502 175.830 177.584 -0.420 0.000 1.159 3 A CA -0.256 51.609 52.037 -0.285 0.000 0.799 3 A CB 0.851 19.753 19.000 -0.164 0.000 1.194 3 A HN 0.811 nan 8.150 nan 0.000 0.479 4 F N 0.443 120.359 119.950 -0.057 0.000 2.577 4 F HA 0.629 5.157 4.527 0.001 0.000 0.318 4 F C 1.019 176.791 175.800 -0.047 0.000 1.065 4 F CA -0.305 57.651 58.000 -0.073 0.000 0.929 4 F CB 2.460 41.406 39.000 -0.089 0.000 1.237 4 F HN 0.676 nan 8.300 nan 0.000 0.468 5 T N -1.711 112.955 114.554 0.187 0.000 2.881 5 T HA 0.393 4.743 4.350 0.001 0.000 0.278 5 T C 0.994 175.728 174.700 0.057 0.000 0.982 5 T CA -0.657 61.492 62.100 0.083 0.000 0.989 5 T CB 1.172 70.070 68.868 0.050 0.000 1.058 5 T HN 0.289 nan 8.240 nan 0.000 0.529 6 V N 1.283 121.214 119.914 0.029 0.000 2.392 6 V HA -0.167 3.954 4.120 0.001 0.000 0.249 6 V C 2.512 178.599 176.094 -0.012 0.000 1.059 6 V CA 2.114 64.421 62.300 0.011 0.000 1.051 6 V CB -0.827 30.999 31.823 0.006 0.000 0.658 6 V HN 0.881 nan 8.190 nan 0.000 0.455 7 D N -0.319 120.074 120.400 -0.012 0.000 2.092 7 D HA -0.197 4.444 4.640 0.001 0.000 0.193 7 D C 2.312 178.576 176.300 -0.060 0.000 0.994 7 D CA 1.484 55.466 54.000 -0.029 0.000 0.828 7 D CB -0.249 40.540 40.800 -0.019 0.000 0.963 7 D HN 0.548 nan 8.370 nan 0.000 0.450 8 Q N -0.137 119.626 119.800 -0.063 0.000 2.045 8 Q HA -0.176 4.165 4.340 0.001 0.000 0.206 8 Q C 2.341 178.180 176.000 -0.268 0.000 0.991 8 Q CA 1.052 56.757 55.803 -0.163 0.000 0.851 8 Q CB -0.195 28.474 28.738 -0.116 0.000 0.911 8 Q HN 0.283 nan 8.270 nan 0.000 0.418 9 M N 0.364 119.839 119.600 -0.208 0.000 2.082 9 M HA -0.197 4.284 4.480 0.001 0.000 0.258 9 M C 2.255 178.478 176.300 -0.128 0.000 1.071 9 M CA 1.680 56.871 55.300 -0.182 0.000 1.103 9 M CB -0.961 31.601 32.600 -0.064 0.000 1.307 9 M HN 0.096 nan 8.290 nan 0.000 0.409 10 R N 0.270 120.719 120.500 -0.085 0.000 2.094 10 R HA -0.143 4.198 4.340 0.001 0.000 0.239 10 R C 2.429 178.682 176.300 -0.079 0.000 1.137 10 R CA 2.554 58.614 56.100 -0.067 0.000 0.943 10 R CB -1.165 29.106 30.300 -0.049 0.000 0.850 10 R HN 0.373 nan 8.270 nan 0.000 0.433 11 S N -0.595 115.050 115.700 -0.091 0.000 2.374 11 S HA -0.151 4.319 4.470 0.001 0.000 0.227 11 S C 1.796 176.334 174.600 -0.104 0.000 1.037 11 S CA 1.457 59.602 58.200 -0.090 0.000 1.024 11 S CB -0.441 62.702 63.200 -0.095 0.000 0.861 11 S HN 0.355 nan 8.310 nan 0.000 0.456 12 L N 1.269 122.407 121.223 -0.142 0.000 2.141 12 L HA 0.175 4.515 4.340 0.001 0.000 0.209 12 L C 2.236 179.052 176.870 -0.089 0.000 1.094 12 L CA 1.729 56.488 54.840 -0.136 0.000 0.763 12 L CB -0.576 41.360 42.059 -0.205 0.000 0.908 12 L HN 0.418 nan 8.230 nan 0.000 0.437 13 M N -1.585 117.966 119.600 -0.081 0.000 2.619 13 M HA -0.098 4.382 4.480 0.001 0.000 0.251 13 M C 1.233 177.499 176.300 -0.056 0.000 1.106 13 M CA 0.703 55.967 55.300 -0.060 0.000 1.086 13 M CB -0.242 32.325 32.600 -0.056 0.000 1.465 13 M HN 0.188 nan 8.290 nan 0.000 0.506 14 D N 0.890 121.254 120.400 -0.059 0.000 2.271 14 D HA 0.013 4.654 4.640 0.001 0.000 0.206 14 D C 0.403 176.674 176.300 -0.049 0.000 0.967 14 D CA 0.761 54.730 54.000 -0.051 0.000 0.867 14 D CB 0.366 41.136 40.800 -0.050 0.000 0.960 14 D HN 0.298 nan 8.370 nan 0.000 0.509 15 K N 1.439 121.805 120.400 -0.056 0.000 2.333 15 K HA 0.158 4.479 4.320 0.001 0.000 0.241 15 K C 1.192 177.769 176.600 -0.038 0.000 1.193 15 K CA -0.310 55.944 56.287 -0.055 0.000 1.142 15 K CB 1.321 33.771 32.500 -0.083 0.000 1.731 15 K HN -0.128 nan 8.250 nan 0.000 0.344 16 V N 0.764 120.660 119.914 -0.030 0.000 2.469 16 V HA -0.285 3.836 4.120 0.001 0.000 0.251 16 V C 2.473 178.571 176.094 0.006 0.000 1.064 16 V CA 2.444 64.732 62.300 -0.020 0.000 1.066 16 V CB -0.942 30.862 31.823 -0.031 0.000 0.667 16 V HN 0.737 nan 8.190 nan 0.000 0.461 17 T N -1.932 112.627 114.554 0.009 0.000 3.025 17 T HA -0.139 4.211 4.350 0.001 0.000 0.270 17 T C 0.977 175.744 174.700 0.113 0.000 1.126 17 T CA 1.598 63.723 62.100 0.042 0.000 1.105 17 T CB -0.472 68.413 68.868 0.028 0.000 0.884 17 T HN 0.492 nan 8.240 nan 0.000 0.522 18 N N 0.431 119.183 118.700 0.087 0.000 2.480 18 N HA 0.440 5.181 4.740 0.001 0.000 0.281 18 N C -1.352 174.300 175.510 0.236 0.000 1.381 18 N CA -0.231 52.932 53.050 0.189 0.000 0.903 18 N CB 1.327 39.662 38.487 -0.253 0.000 1.274 18 N HN 0.237 nan 8.380 nan 0.000 0.505 19 V N 0.312 120.320 119.914 0.158 0.000 2.914 19 V HA 0.587 4.708 4.120 0.001 0.000 0.314 19 V C -0.411 175.720 176.094 0.062 0.000 1.084 19 V CA -0.860 61.496 62.300 0.094 0.000 0.963 19 V CB 2.544 34.381 31.823 0.024 0.000 1.025 19 V HN 0.088 nan 8.190 nan 0.000 0.432 20 R N 2.601 123.122 120.500 0.035 0.000 2.518 20 R HA 0.413 4.753 4.340 0.001 0.000 0.296 20 R C -1.441 174.857 176.300 -0.003 0.000 1.080 20 R CA -0.589 55.510 56.100 -0.001 0.000 0.922 20 R CB 1.695 31.977 30.300 -0.030 0.000 1.184 20 R HN 0.636 nan 8.270 nan 0.000 0.445 21 N N 4.346 123.038 118.700 -0.014 0.000 2.439 21 N HA 0.377 5.117 4.740 0.001 0.000 0.249 21 N C -0.046 175.465 175.510 0.000 0.000 1.003 21 N CA -0.365 52.679 53.050 -0.010 0.000 0.942 21 N CB 1.380 39.845 38.487 -0.037 0.000 1.115 21 N HN 0.449 nan 8.380 nan 0.000 0.505 22 M N -0.786 118.821 119.600 0.011 0.000 2.779 22 M HA 0.671 5.152 4.480 0.001 0.000 0.277 22 M C -0.190 176.120 176.300 0.017 0.000 1.284 22 M CA -0.993 54.312 55.300 0.008 0.000 0.801 22 M CB 1.429 34.024 32.600 -0.008 0.000 1.712 22 M HN 0.124 nan 8.290 nan 0.000 0.453 23 S N -0.510 115.193 115.700 0.005 0.000 2.704 23 S HA 0.941 5.411 4.470 0.001 0.000 0.296 23 S C -1.731 172.860 174.600 -0.015 0.000 1.138 23 S CA -0.669 57.533 58.200 0.003 0.000 0.875 23 S CB 1.966 65.171 63.200 0.009 0.000 1.151 23 S HN 0.818 nan 8.310 nan 0.000 0.500 24 V N 2.623 122.525 119.914 -0.019 0.000 2.349 24 V HA 0.491 4.612 4.120 0.001 0.000 0.284 24 V C -0.874 175.202 176.094 -0.029 0.000 1.014 24 V CA -0.454 61.828 62.300 -0.029 0.000 0.826 24 V CB 0.816 32.622 31.823 -0.029 0.000 1.009 24 V HN 0.748 nan 8.190 nan 0.000 0.431 25 I N 4.840 125.390 120.570 -0.035 0.000 2.312 25 I HA 0.713 4.883 4.170 0.001 0.000 0.291 25 I C 0.434 176.538 176.117 -0.022 0.000 1.031 25 I CA 0.550 61.830 61.300 -0.034 0.000 1.293 25 I CB 1.134 39.106 38.000 -0.047 0.000 1.403 25 I HN 0.753 nan 8.210 nan 0.000 0.484 26 A N 4.472 127.285 122.820 -0.011 0.000 2.583 26 A HA 0.404 4.725 4.320 0.001 0.000 0.298 26 A C -1.207 176.389 177.584 0.020 0.000 1.055 26 A CA -0.701 51.351 52.037 0.024 0.000 0.714 26 A CB 0.492 19.509 19.000 0.029 0.000 1.277 26 A HN 0.715 nan 8.150 nan 0.000 0.406 27 H N 0.931 119.956 119.070 -0.075 0.000 2.815 27 H HA 0.309 4.866 4.556 0.001 0.000 0.350 27 H C 1.585 176.841 175.328 -0.120 0.000 1.080 27 H CA 0.888 56.837 56.048 -0.166 0.000 1.433 27 H CB 1.212 30.740 29.762 -0.390 0.000 1.432 27 H HN 0.827 nan 8.280 nan 0.000 0.592 28 V N 0.857 120.654 119.914 -0.195 0.000 2.392 28 V HA -0.201 3.920 4.120 0.001 0.000 0.249 28 V C 1.189 177.350 176.094 0.110 0.000 1.059 28 V CA 1.944 64.223 62.300 -0.035 0.000 1.051 28 V CB -0.216 31.555 31.823 -0.087 0.000 0.658 28 V HN 0.762 nan 8.190 nan 0.000 0.455 29 D N -0.375 120.209 120.400 0.306 0.000 2.338 29 D HA 0.028 4.669 4.640 0.001 0.000 0.239 29 D C 0.808 177.233 176.300 0.208 0.000 1.095 29 D CA 0.699 54.812 54.000 0.189 0.000 0.888 29 D CB -0.422 40.446 40.800 0.114 0.000 0.899 29 D HN 0.727 nan 8.370 nan 0.000 0.525 30 H N -0.958 118.171 119.070 0.097 0.000 2.528 30 H HA 0.297 4.853 4.556 0.001 0.000 0.256 30 H C 1.043 176.369 175.328 -0.003 0.000 1.204 30 H CA -0.429 55.632 56.048 0.021 0.000 0.955 30 H CB 0.670 30.438 29.762 0.011 0.000 1.817 30 H HN 0.060 nan 8.280 nan 0.000 0.579 31 G N 2.159 111.027 108.800 0.114 0.000 2.225 31 G HA2 -0.418 3.543 3.960 0.001 0.000 0.267 31 G HA3 -0.418 3.543 3.960 0.001 0.000 0.267 31 G C 1.264 176.179 174.900 0.025 0.000 1.024 31 G CA 1.016 46.142 45.100 0.043 0.000 0.784 31 G HN 0.542 nan 8.290 nan 0.000 0.507 32 K N 0.593 121.017 120.400 0.040 0.000 2.044 32 K HA -0.194 4.127 4.320 0.001 0.000 0.210 32 K C 2.837 179.435 176.600 -0.004 0.000 1.049 32 K CA 2.386 58.681 56.287 0.013 0.000 0.927 32 K CB -0.332 32.172 32.500 0.007 0.000 0.713 32 K HN 0.687 nan 8.250 nan 0.000 0.443 33 S N -0.314 115.387 115.700 0.000 0.000 2.387 33 S HA -0.093 4.377 4.470 0.001 0.000 0.226 33 S C 1.994 176.592 174.600 -0.003 0.000 1.026 33 S CA 1.476 59.672 58.200 -0.005 0.000 0.972 33 S CB -0.632 62.567 63.200 -0.002 0.000 0.814 33 S HN 0.340 nan 8.310 nan 0.000 0.477 34 T N 3.449 118.004 114.554 0.001 0.000 2.643 34 T HA 0.041 4.392 4.350 0.001 0.000 0.264 34 T C 1.781 176.474 174.700 -0.011 0.000 1.045 34 T CA 1.518 63.618 62.100 0.000 0.000 1.155 34 T CB -0.699 68.169 68.868 0.001 0.000 0.863 34 T HN 0.242 nan 8.240 nan 0.000 0.420 35 L N 1.101 122.309 121.223 -0.025 0.000 1.990 35 L HA -0.199 4.142 4.340 0.001 0.000 0.213 35 L C 3.082 179.936 176.870 -0.027 0.000 1.072 35 L CA 1.924 56.740 54.840 -0.039 0.000 0.755 35 L CB -1.350 40.674 42.059 -0.058 0.000 0.889 35 L HN 0.489 nan 8.230 nan 0.000 0.432 36 T N -2.845 111.696 114.554 -0.022 0.000 2.665 36 T HA -0.312 4.038 4.350 0.001 0.000 0.268 36 T C 1.453 176.148 174.700 -0.008 0.000 1.035 36 T CA 1.743 63.833 62.100 -0.017 0.000 1.151 36 T CB -0.672 68.185 68.868 -0.018 0.000 0.862 36 T HN 0.338 nan 8.240 nan 0.000 0.438 37 D N 1.088 121.485 120.400 -0.005 0.000 2.104 37 D HA -0.145 4.496 4.640 0.001 0.000 0.194 37 D C 2.379 178.684 176.300 0.009 0.000 0.994 37 D CA 1.624 55.626 54.000 0.003 0.000 0.830 37 D CB -0.648 40.156 40.800 0.006 0.000 0.959 37 D HN 0.366 nan 8.370 nan 0.000 0.452 38 S N -1.326 114.377 115.700 0.006 0.000 2.392 38 S HA -0.187 4.283 4.470 0.001 0.000 0.232 38 S C 1.907 176.515 174.600 0.012 0.000 1.041 38 S CA 1.219 59.426 58.200 0.011 0.000 1.026 38 S CB -0.378 62.823 63.200 0.002 0.000 0.845 38 S HN 0.282 nan 8.310 nan 0.000 0.465 39 L N 0.713 121.939 121.223 0.006 0.000 2.156 39 L HA 0.027 4.368 4.340 0.001 0.000 0.208 39 L C 2.342 179.228 176.870 0.026 0.000 1.095 39 L CA 0.816 55.663 54.840 0.011 0.000 0.770 39 L CB -0.520 41.541 42.059 0.003 0.000 0.914 39 L HN 0.188 nan 8.230 nan 0.000 0.439 40 V N -1.085 118.844 119.914 0.024 0.000 2.323 40 V HA -0.249 3.872 4.120 0.001 0.000 0.244 40 V C 2.191 178.307 176.094 0.036 0.000 1.041 40 V CA 1.386 63.706 62.300 0.032 0.000 1.025 40 V CB -0.595 31.242 31.823 0.023 0.000 0.656 40 V HN 0.472 nan 8.190 nan 0.000 0.451 41 Q N -0.600 119.218 119.800 0.030 0.000 2.561 41 Q HA -0.091 4.250 4.340 0.001 0.000 0.217 41 Q C 2.119 178.139 176.000 0.034 0.000 0.980 41 Q CA 0.680 56.502 55.803 0.031 0.000 0.927 41 Q CB 0.058 28.813 28.738 0.029 0.000 0.980 41 Q HN 0.464 nan 8.270 nan 0.000 0.525 42 R N -1.099 119.424 120.500 0.038 0.000 2.144 42 R HA 0.229 4.569 4.340 0.001 0.000 0.195 42 R C 0.986 177.322 176.300 0.060 0.000 1.077 42 R CA 1.097 57.222 56.100 0.042 0.000 1.120 42 R CB 0.172 30.494 30.300 0.035 0.000 1.060 42 R HN 0.039 nan 8.270 nan 0.000 0.520 43 A N 0.619 123.482 122.820 0.072 0.000 2.571 43 A HA 0.375 4.696 4.320 0.001 0.000 0.274 43 A C 0.663 178.328 177.584 0.135 0.000 1.196 43 A CA 0.029 52.136 52.037 0.117 0.000 0.957 43 A CB 0.321 19.385 19.000 0.106 0.000 1.150 43 A HN 0.196 nan 8.150 nan 0.000 0.539 44 G N 0.839 109.696 108.800 0.094 0.000 2.305 44 G HA2 0.402 4.362 3.960 0.001 0.000 0.243 44 G HA3 0.402 4.362 3.960 0.001 0.000 0.243 44 G C -0.054 174.912 174.900 0.110 0.000 1.288 44 G CA 0.103 45.260 45.100 0.094 0.000 0.901 44 G HN 0.165 nan 8.290 nan 0.000 0.516 45 I N 2.728 123.385 120.570 0.145 0.000 2.342 45 I HA 0.334 4.505 4.170 0.001 0.000 0.291 45 I C -0.004 176.192 176.117 0.132 0.000 1.010 45 I CA -1.180 60.224 61.300 0.174 0.000 1.308 45 I CB 0.973 39.136 38.000 0.270 0.000 1.400 45 I HN 0.169 nan 8.210 nan 0.000 0.488 46 I N 5.250 125.868 120.570 0.080 0.000 2.530 46 I HA 0.310 4.480 4.170 0.001 0.000 0.297 46 I C 0.351 176.505 176.117 0.061 0.000 1.011 46 I CA -0.199 61.144 61.300 0.072 0.000 1.107 46 I CB 1.950 39.966 38.000 0.027 0.000 1.285 46 I HN 0.660 nan 8.210 nan 0.000 0.436 47 S N 5.719 121.462 115.700 0.071 0.000 2.548 47 S HA 0.790 5.260 4.470 0.001 0.000 0.277 47 S C 0.194 174.799 174.600 0.009 0.000 1.315 47 S CA -0.604 57.631 58.200 0.058 0.000 1.050 47 S CB 1.109 64.345 63.200 0.060 0.000 0.918 47 S HN 0.818 nan 8.310 nan 0.000 0.497 68 I N 3.248 123.871 120.570 0.088 0.000 2.321 68 I HA 0.407 4.577 4.170 0.001 0.000 0.291 68 I C 0.443 176.641 176.117 0.134 0.000 0.998 68 I CA -0.520 60.833 61.300 0.089 0.000 1.227 68 I CB 1.257 39.328 38.000 0.118 0.000 1.368 68 I HN 0.123 nan 8.210 nan 0.000 0.466 69 T N 4.874 119.471 114.554 0.072 0.000 2.945 69 T HA 0.837 5.188 4.350 0.001 0.000 0.286 69 T C -0.238 174.409 174.700 -0.087 0.000 1.025 69 T CA -0.681 61.450 62.100 0.053 0.000 1.039 69 T CB 2.410 71.304 68.868 0.045 0.000 1.068 69 T HN 0.595 nan 8.240 nan 0.000 0.497 70 I N -2.069 118.412 120.570 -0.148 0.000 3.239 70 I HA 0.631 4.802 4.170 0.001 0.000 0.314 70 I C -0.616 175.370 176.117 -0.217 0.000 1.126 70 I CA -1.677 59.509 61.300 -0.191 0.000 0.973 70 I CB 2.275 40.197 38.000 -0.129 0.000 1.252 70 I HN 0.619 nan 8.210 nan 0.000 0.463 71 K N 2.289 122.560 120.400 -0.215 0.000 2.310 71 K HA 0.186 4.507 4.320 0.001 0.000 0.290 71 K C 0.030 176.502 176.600 -0.213 0.000 1.077 71 K CA -0.084 56.079 56.287 -0.206 0.000 0.922 71 K CB 0.781 33.163 32.500 -0.196 0.000 1.057 71 K HN 0.718 nan 8.250 nan 0.000 0.479 72 S N 3.303 118.873 115.700 -0.216 0.000 2.885 72 S HA -0.057 4.413 4.470 0.001 0.000 0.334 72 S C 0.513 174.978 174.600 -0.225 0.000 1.224 72 S CA 0.300 58.373 58.200 -0.212 0.000 1.080 72 S CB 0.132 63.219 63.200 -0.188 0.000 0.801 72 S HN 0.747 nan 8.310 nan 0.000 0.510 73 T N 3.921 118.307 114.554 -0.280 0.000 2.964 73 T HA 0.513 4.864 4.350 0.001 0.000 0.249 73 T C 0.127 174.612 174.700 -0.359 0.000 1.000 73 T CA 0.471 62.316 62.100 -0.426 0.000 0.992 73 T CB 0.519 68.906 68.868 -0.801 0.000 1.087 73 T HN 0.787 nan 8.240 nan 0.000 0.489 74 A N 0.881 123.583 122.820 -0.196 0.000 2.574 74 A HA 0.778 5.099 4.320 0.001 0.000 0.297 74 A C -1.701 175.889 177.584 0.009 0.000 1.062 74 A CA -0.665 51.359 52.037 -0.021 0.000 0.686 74 A CB 1.136 20.240 19.000 0.173 0.000 1.285 74 A HN 0.289 nan 8.150 nan 0.000 0.403 75 I N 1.263 121.850 120.570 0.029 0.000 2.474 75 I HA 0.382 4.552 4.170 0.001 0.000 0.294 75 I C 0.113 176.271 176.117 0.069 0.000 1.005 75 I CA -0.523 60.800 61.300 0.038 0.000 1.113 75 I CB 2.359 40.371 38.000 0.020 0.000 1.289 75 I HN 0.566 nan 8.210 nan 0.000 0.436 76 S N 6.120 121.874 115.700 0.090 0.000 2.499 76 S HA 0.610 5.081 4.470 0.001 0.000 0.279 76 S C -0.553 174.128 174.600 0.135 0.000 1.219 76 S CA -0.482 57.786 58.200 0.113 0.000 1.062 76 S CB 0.890 64.168 63.200 0.130 0.000 0.978 76 S HN 0.203 nan 8.310 nan 0.000 0.489 77 L N 3.384 124.691 121.223 0.141 0.000 2.365 77 L HA 0.532 4.872 4.340 0.001 0.000 0.273 77 L C -0.795 176.215 176.870 0.233 0.000 1.000 77 L CA -0.586 54.350 54.840 0.160 0.000 0.819 77 L CB 1.257 43.372 42.059 0.094 0.000 1.284 77 L HN 0.703 nan 8.230 nan 0.000 0.418 78 Y N 2.041 122.436 120.300 0.157 0.000 2.429 78 Y HA 0.768 5.319 4.550 0.001 0.000 0.342 78 Y C -0.432 175.566 175.900 0.162 0.000 1.004 78 Y CA -0.394 57.823 58.100 0.195 0.000 1.075 78 Y CB 2.014 40.695 38.460 0.368 0.000 1.214 78 Y HN 0.579 nan 8.280 nan 0.000 0.455 79 S N 4.542 119.823 115.700 -0.698 0.000 2.533 79 S HA 0.410 4.880 4.470 0.001 0.000 0.271 79 S C -1.832 172.450 174.600 -0.530 0.000 1.143 79 S CA -0.728 57.200 58.200 -0.454 0.000 0.891 79 S CB 1.348 64.467 63.200 -0.135 0.000 1.105 79 S HN 0.857 nan 8.310 nan 0.000 0.468 80 E N 3.250 123.278 120.200 -0.287 0.000 2.277 80 E HA 0.683 5.034 4.350 0.001 0.000 0.266 80 E C -1.088 175.526 176.600 0.024 0.000 0.901 80 E CA -0.705 55.629 56.400 -0.110 0.000 0.782 80 E CB 1.351 31.040 29.700 -0.018 0.000 1.228 80 E HN 0.677 nan 8.360 nan 0.000 0.424 81 M N 1.066 120.714 119.600 0.081 0.000 2.618 81 M HA 0.266 4.747 4.480 0.001 0.000 0.281 81 M C -0.296 176.041 176.300 0.061 0.000 1.267 81 M CA -1.045 54.302 55.300 0.080 0.000 0.845 81 M CB 1.892 34.566 32.600 0.123 0.000 1.732 81 M HN 0.577 nan 8.290 nan 0.000 0.461 82 S N -0.631 115.094 115.700 0.042 0.000 2.585 82 S HA 0.148 4.619 4.470 0.001 0.000 0.273 82 S C 0.176 174.797 174.600 0.035 0.000 1.339 82 S CA -0.233 57.986 58.200 0.031 0.000 1.028 82 S CB 0.395 63.608 63.200 0.021 0.000 0.906 82 S HN 0.673 nan 8.310 nan 0.000 0.528 83 D N 1.016 121.431 120.400 0.025 0.000 2.265 83 D HA -0.127 4.514 4.640 0.001 0.000 0.208 83 D C 1.573 177.888 176.300 0.024 0.000 0.977 83 D CA 1.296 55.310 54.000 0.023 0.000 0.871 83 D CB -0.108 40.701 40.800 0.014 0.000 0.925 83 D HN 0.689 nan 8.370 nan 0.000 0.485 84 E N 0.700 120.913 120.200 0.021 0.000 2.072 84 E HA -0.132 4.218 4.350 0.001 0.000 0.190 84 E C 1.378 177.988 176.600 0.018 0.000 0.982 84 E CA 0.949 57.360 56.400 0.018 0.000 0.803 84 E CB -0.097 29.612 29.700 0.015 0.000 0.755 84 E HN 0.439 nan 8.360 nan 0.000 0.453 85 D N 0.858 121.270 120.400 0.020 0.000 2.144 85 D HA -0.099 4.542 4.640 0.001 0.000 0.200 85 D C 2.158 178.468 176.300 0.017 0.000 0.978 85 D CA 0.650 54.657 54.000 0.010 0.000 0.833 85 D CB -0.179 40.626 40.800 0.009 0.000 0.961 85 D HN 0.012 nan 8.370 nan 0.000 0.470 86 V N 1.387 121.335 119.914 0.058 0.000 2.568 86 V HA -0.239 3.882 4.120 0.001 0.000 0.253 86 V C 2.270 178.392 176.094 0.048 0.000 1.072 86 V CA 1.477 63.832 62.300 0.092 0.000 1.084 86 V CB -0.487 31.397 31.823 0.101 0.000 0.676 86 V HN 0.189 nan 8.190 nan 0.000 0.469 87 K N -0.161 120.255 120.400 0.026 0.000 2.167 87 K HA -0.083 4.237 4.320 0.001 0.000 0.203 87 K C 1.995 178.596 176.600 0.003 0.000 1.052 87 K CA 0.917 57.213 56.287 0.016 0.000 0.956 87 K CB -0.110 32.399 32.500 0.015 0.000 0.735 87 K HN 0.517 nan 8.250 nan 0.000 0.451 88 E N 0.836 121.030 120.200 -0.010 0.000 2.463 88 E HA -0.082 4.269 4.350 0.001 0.000 0.201 88 E C -0.025 176.542 176.600 -0.056 0.000 1.045 88 E CA 0.317 56.702 56.400 -0.026 0.000 0.872 88 E CB -0.058 29.620 29.700 -0.036 0.000 0.797 88 E HN 0.288 nan 8.360 nan 0.000 0.538 89 I N 2.239 122.776 120.570 -0.054 0.000 2.389 89 I HA -0.004 4.166 4.170 0.001 0.000 0.295 89 I C 0.275 176.376 176.117 -0.028 0.000 1.117 89 I CA 0.164 61.420 61.300 -0.073 0.000 1.317 89 I CB 0.392 38.359 38.000 -0.055 0.000 1.431 89 I HN -0.241 nan 8.210 nan 0.000 0.521 90 K N 7.832 128.218 120.400 -0.024 0.000 2.715 90 K HA 0.067 4.387 4.320 0.001 0.000 0.248 90 K C -0.220 176.389 176.600 0.015 0.000 1.276 90 K CA -0.012 56.279 56.287 0.007 0.000 1.209 90 K CB -0.259 32.254 32.500 0.022 0.000 1.509 90 K HN 0.620 nan 8.250 nan 0.000 0.261 91 Q N -0.071 119.738 119.800 0.015 0.000 2.599 91 Q HA 0.116 4.457 4.340 0.001 0.000 0.248 91 Q C -1.288 174.731 176.000 0.032 0.000 0.964 91 Q CA -1.096 54.723 55.803 0.027 0.000 1.011 91 Q CB 0.735 29.489 28.738 0.027 0.000 1.592 91 Q HN -0.138 nan 8.270 nan 0.000 0.443 92 K N 2.628 123.048 120.400 0.033 0.000 2.548 92 K HA 0.045 4.366 4.320 0.001 0.000 0.277 92 K C 0.148 176.778 176.600 0.050 0.000 1.001 92 K CA 1.520 57.827 56.287 0.033 0.000 1.102 92 K CB 0.188 32.703 32.500 0.025 0.000 0.848 92 K HN 0.900 nan 8.250 nan 0.000 0.487 93 T N -1.288 113.298 114.554 0.054 0.000 2.696 93 T HA 0.540 4.890 4.350 0.001 0.000 0.291 93 T C -1.315 173.400 174.700 0.024 0.000 1.095 93 T CA -0.950 61.197 62.100 0.078 0.000 1.026 93 T CB 2.367 71.332 68.868 0.163 0.000 1.390 93 T HN 0.434 nan 8.240 nan 0.000 0.513 94 D N -1.171 119.217 120.400 -0.020 0.000 2.301 94 D HA 0.495 5.136 4.640 0.001 0.000 0.203 94 D C -0.058 176.162 176.300 -0.134 0.000 1.300 94 D CA 1.175 55.140 54.000 -0.058 0.000 0.899 94 D CB 0.664 41.437 40.800 -0.044 0.000 1.597 94 D HN 1.408 nan 8.370 nan 0.000 0.538 95 G N 2.759 111.482 108.800 -0.128 0.000 2.663 95 G HA2 -0.139 3.821 3.960 0.001 0.000 0.686 95 G HA3 -0.139 3.821 3.960 0.001 0.000 0.686 95 G C 0.063 174.806 174.900 -0.262 0.000 1.288 95 G CA -0.439 44.559 45.100 -0.172 0.000 0.836 95 G HN 0.470 nan 8.290 nan 0.000 0.584 96 N N -0.324 118.246 118.700 -0.217 0.000 2.236 96 N HA 0.142 4.882 4.740 0.001 0.000 0.196 96 N C 0.493 175.801 175.510 -0.337 0.000 1.114 96 N CA 0.533 53.463 53.050 -0.201 0.000 0.859 96 N CB 0.640 39.096 38.487 -0.051 0.000 0.982 96 N HN 0.451 nan 8.380 nan 0.000 0.493 97 S N 0.540 115.974 115.700 -0.443 0.000 2.578 97 S HA 0.567 5.037 4.470 0.001 0.000 0.283 97 S C -0.647 173.489 174.600 -0.773 0.000 1.195 97 S CA -0.279 57.699 58.200 -0.370 0.000 1.050 97 S CB 0.835 64.042 63.200 0.012 0.000 1.012 97 S HN 0.024 nan 8.310 nan 0.000 0.511 98 F N 1.459 121.305 119.950 -0.173 0.000 2.569 98 F HA 0.498 5.025 4.527 0.001 0.000 0.312 98 F C -0.691 175.067 175.800 -0.070 0.000 1.109 98 F CA -0.913 57.016 58.000 -0.119 0.000 0.919 98 F CB 1.440 40.356 39.000 -0.140 0.000 1.211 98 F HN 0.300 nan 8.300 nan 0.000 0.446 99 L N 5.074 126.403 121.223 0.176 0.000 2.298 99 L HA 0.639 4.979 4.340 0.001 0.000 0.284 99 L C -1.013 175.919 176.870 0.104 0.000 1.013 99 L CA -0.388 54.531 54.840 0.132 0.000 0.824 99 L CB 0.596 42.699 42.059 0.074 0.000 1.221 99 L HN 0.482 nan 8.230 nan 0.000 0.418 100 I N 4.700 125.326 120.570 0.093 0.000 2.336 100 I HA 0.312 4.483 4.170 0.001 0.000 0.292 100 I C -0.434 175.718 176.117 0.059 0.000 0.991 100 I CA -0.462 60.872 61.300 0.057 0.000 1.227 100 I CB 1.223 39.245 38.000 0.036 0.000 1.366 100 I HN 0.608 nan 8.210 nan 0.000 0.466 101 N N 6.362 125.089 118.700 0.045 0.000 2.527 101 N HA 0.284 5.025 4.740 0.001 0.000 0.236 101 N C -0.813 174.729 175.510 0.054 0.000 0.999 101 N CA -0.514 52.570 53.050 0.057 0.000 0.935 101 N CB 1.060 39.577 38.487 0.051 0.000 1.132 101 N HN 0.362 nan 8.380 nan 0.000 0.511 102 L N 4.355 125.610 121.223 0.052 0.000 2.334 102 L HA 0.427 4.767 4.340 0.001 0.000 0.286 102 L C -0.783 176.114 176.870 0.046 0.000 1.108 102 L CA -0.170 54.691 54.840 0.036 0.000 0.875 102 L CB -0.373 41.699 42.059 0.021 0.000 1.246 102 L HN 0.474 nan 8.230 nan 0.000 0.439 103 I N 3.883 124.491 120.570 0.063 0.000 2.371 103 I HA 0.125 4.296 4.170 0.001 0.000 0.290 103 I C 0.362 176.491 176.117 0.020 0.000 1.028 103 I CA -0.502 60.847 61.300 0.082 0.000 1.345 103 I CB 0.936 39.032 38.000 0.160 0.000 1.407 103 I HN 0.563 nan 8.210 nan 0.000 0.501 104 D N 4.800 125.179 120.400 -0.034 0.000 2.399 104 D HA 0.187 4.828 4.640 0.001 0.000 0.241 104 D C -0.594 175.676 176.300 -0.050 0.000 1.133 104 D CA 0.382 54.345 54.000 -0.061 0.000 0.890 104 D CB 0.845 41.578 40.800 -0.111 0.000 1.201 104 D HN 0.464 nan 8.370 nan 0.000 0.432 105 S N 2.184 117.853 115.700 -0.050 0.000 2.677 105 S HA 0.676 5.147 4.470 0.001 0.000 0.304 105 S C -2.400 172.158 174.600 -0.071 0.000 1.108 105 S CA -1.193 56.982 58.200 -0.041 0.000 0.944 105 S CB 1.628 64.817 63.200 -0.019 0.000 1.127 105 S HN 0.426 nan 8.310 nan 0.000 0.511 106 P HA 0.380 nan 4.420 nan 0.000 0.279 106 P C 0.629 177.914 177.300 -0.025 0.000 1.282 106 P CA -0.396 62.639 63.100 -0.108 0.000 0.788 106 P CB 0.295 31.965 31.700 -0.049 0.000 1.139 107 G N -2.033 106.790 108.800 0.040 0.000 2.641 107 G HA2 0.017 3.977 3.960 0.001 0.000 0.207 107 G HA3 0.017 3.977 3.960 0.001 0.000 0.207 107 G C -0.086 174.875 174.900 0.102 0.000 1.137 107 G CA 0.722 45.857 45.100 0.058 0.000 0.824 107 G HN 0.505 nan 8.290 nan 0.000 0.547 108 H N -1.096 118.124 119.070 0.250 0.000 2.533 108 H HA 0.478 5.035 4.556 0.001 0.000 0.343 108 H C 1.125 176.567 175.328 0.190 0.000 1.160 108 H CA -0.630 55.503 56.048 0.142 0.000 1.218 108 H CB 2.325 32.112 29.762 0.042 0.000 1.566 108 H HN -0.158 nan 8.280 nan 0.000 0.522 109 V N 1.779 121.690 119.914 -0.005 0.000 2.667 109 V HA -0.174 3.947 4.120 0.001 0.000 0.252 109 V C 1.234 177.401 176.094 0.122 0.000 1.065 109 V CA 1.532 63.918 62.300 0.144 0.000 1.083 109 V CB -0.302 31.581 31.823 0.100 0.000 0.692 109 V HN 0.807 nan 8.190 nan 0.000 0.468 110 D N 0.455 120.933 120.400 0.130 0.000 2.315 110 D HA -0.165 4.475 4.640 0.001 0.000 0.211 110 D C 1.475 177.663 176.300 -0.185 0.000 0.977 110 D CA 1.181 55.106 54.000 -0.125 0.000 0.894 110 D CB -0.285 40.355 40.800 -0.267 0.000 0.910 110 D HN 0.466 nan 8.370 nan 0.000 0.490 111 F N 1.378 121.354 119.950 0.045 0.000 2.795 111 F HA -0.014 4.513 4.527 0.001 0.000 0.303 111 F C 1.946 177.764 175.800 0.029 0.000 1.186 111 F CA -0.226 57.794 58.000 0.035 0.000 1.415 111 F CB -0.640 38.399 39.000 0.064 0.000 1.106 111 F HN -0.181 nan 8.300 nan 0.000 0.558 112 S N 0.218 115.959 115.700 0.068 0.000 2.469 112 S HA -0.427 4.043 4.470 0.001 0.000 0.309 112 S C 2.271 176.978 174.600 0.178 0.000 1.209 112 S CA 2.392 60.562 58.200 -0.051 0.000 1.281 112 S CB -1.264 61.639 63.200 -0.496 0.000 1.265 112 S HN 0.575 nan 8.310 nan 0.000 0.452 113 S N 2.684 118.448 115.700 0.106 0.000 2.372 113 S HA -0.260 4.210 4.470 0.001 0.000 0.227 113 S C 1.871 176.574 174.600 0.172 0.000 1.044 113 S CA 1.647 59.932 58.200 0.140 0.000 1.050 113 S CB -0.732 62.534 63.200 0.109 0.000 0.901 113 S HN 0.914 nan 8.310 nan 0.000 0.447 114 E N 1.192 121.496 120.200 0.173 0.000 2.435 114 E HA 0.035 4.386 4.350 0.001 0.000 0.195 114 E C 1.653 178.337 176.600 0.140 0.000 1.029 114 E CA 0.507 56.988 56.400 0.135 0.000 0.865 114 E CB -0.319 29.424 29.700 0.072 0.000 0.833 114 E HN 0.393 nan 8.360 nan 0.000 0.510 115 V N 1.645 121.676 119.914 0.196 0.000 2.283 115 V HA -0.215 3.906 4.120 0.001 0.000 0.243 115 V C 2.284 178.468 176.094 0.150 0.000 1.039 115 V CA 2.216 64.626 62.300 0.182 0.000 1.016 115 V CB -0.688 31.309 31.823 0.290 0.000 0.650 115 V HN 0.383 nan 8.190 nan 0.000 0.449 116 T N 0.489 115.158 114.554 0.193 0.000 2.881 116 T HA -0.134 4.217 4.350 0.001 0.000 0.270 116 T C 2.001 176.789 174.700 0.145 0.000 1.068 116 T CA 1.398 63.587 62.100 0.149 0.000 1.131 116 T CB -0.370 68.609 68.868 0.185 0.000 0.871 116 T HN 0.555 nan 8.240 nan 0.000 0.479 117 A N 1.617 124.539 122.820 0.170 0.000 1.858 117 A HA 0.185 4.505 4.320 0.001 0.000 0.216 117 A C 2.687 180.390 177.584 0.198 0.000 1.190 117 A CA 1.746 53.905 52.037 0.204 0.000 0.617 117 A CB -1.222 17.892 19.000 0.190 0.000 0.827 117 A HN 0.501 nan 8.150 nan 0.000 0.443 118 A N -0.222 122.690 122.820 0.153 0.000 1.877 118 A HA -0.055 4.266 4.320 0.001 0.000 0.216 118 A C 2.205 179.858 177.584 0.115 0.000 1.186 118 A CA 1.531 53.654 52.037 0.143 0.000 0.620 118 A CB -0.722 18.332 19.000 0.089 0.000 0.822 118 A HN 0.471 nan 8.150 nan 0.000 0.443 119 L N -1.201 120.071 121.223 0.081 0.000 1.990 119 L HA -0.228 4.113 4.340 0.001 0.000 0.213 119 L C 2.767 179.669 176.870 0.053 0.000 1.072 119 L CA 1.970 56.839 54.840 0.049 0.000 0.755 119 L CB -0.513 41.556 42.059 0.018 0.000 0.889 119 L HN 0.429 nan 8.230 nan 0.000 0.432 120 R N 0.141 120.676 120.500 0.059 0.000 2.261 120 R HA -0.151 4.190 4.340 0.001 0.000 0.236 120 R C 1.651 177.966 176.300 0.025 0.000 1.141 120 R CA 1.481 57.587 56.100 0.009 0.000 1.001 120 R CB -0.039 30.244 30.300 -0.028 0.000 0.866 120 R HN 0.473 nan 8.270 nan 0.000 0.468 121 V N -2.949 117.018 119.914 0.088 0.000 3.578 121 V HA 0.215 4.335 4.120 0.001 0.000 0.290 121 V C 0.521 176.638 176.094 0.039 0.000 1.376 121 V CA 0.162 62.513 62.300 0.085 0.000 1.083 121 V CB 0.016 31.901 31.823 0.104 0.000 0.911 121 V HN 0.242 nan 8.190 nan 0.000 0.433 122 T N -3.156 111.428 114.554 0.050 0.000 2.948 122 T HA 0.592 4.942 4.350 0.001 0.000 0.285 122 T C 0.077 174.792 174.700 0.026 0.000 1.019 122 T CA -0.047 62.070 62.100 0.028 0.000 1.013 122 T CB 2.396 71.283 68.868 0.033 0.000 1.117 122 T HN 0.142 nan 8.240 nan 0.000 0.533 123 D N -0.134 120.274 120.400 0.014 0.000 2.461 123 D HA 0.260 4.900 4.640 0.001 0.000 0.266 123 D C 1.026 177.345 176.300 0.033 0.000 1.085 123 D CA 0.266 54.278 54.000 0.021 0.000 0.887 123 D CB 0.231 41.027 40.800 -0.005 0.000 1.309 123 D HN 0.792 nan 8.370 nan 0.000 0.498 124 G N -0.213 108.595 108.800 0.014 0.000 2.597 124 G HA2 0.703 4.663 3.960 0.001 0.000 0.317 124 G HA3 0.703 4.663 3.960 0.001 0.000 0.317 124 G C -1.279 173.615 174.900 -0.009 0.000 1.230 124 G CA -0.418 44.685 45.100 0.004 0.000 0.996 124 G HN 0.204 nan 8.290 nan 0.000 0.490 125 A N -0.596 122.209 122.820 -0.025 0.000 2.555 125 A HA 0.543 4.864 4.320 0.001 0.000 0.297 125 A C -1.646 175.904 177.584 -0.057 0.000 1.060 125 A CA -0.532 51.483 52.037 -0.037 0.000 0.710 125 A CB 1.731 20.708 19.000 -0.037 0.000 1.282 125 A HN 1.365 nan 8.150 nan 0.000 0.399 126 L N 3.530 124.717 121.223 -0.059 0.000 2.314 126 L HA 0.542 4.883 4.340 0.001 0.000 0.275 126 L C -0.707 176.114 176.870 -0.082 0.000 1.068 126 L CA -0.217 54.576 54.840 -0.079 0.000 0.894 126 L CB 0.696 42.712 42.059 -0.073 0.000 1.275 126 L HN 0.438 nan 8.230 nan 0.000 0.432 127 V N 5.473 125.329 119.914 -0.097 0.000 2.470 127 V HA 0.215 4.336 4.120 0.001 0.000 0.276 127 V C 0.296 176.329 176.094 -0.102 0.000 1.040 127 V CA -0.413 61.834 62.300 -0.089 0.000 1.008 127 V CB 1.050 32.814 31.823 -0.098 0.000 0.990 127 V HN 0.420 nan 8.190 nan 0.000 0.477 128 V N 6.480 126.353 119.914 -0.067 0.000 2.370 128 V HA 0.450 4.570 4.120 0.001 0.000 0.279 128 V C 0.076 176.148 176.094 -0.036 0.000 1.029 128 V CA -0.328 61.928 62.300 -0.072 0.000 0.870 128 V CB 1.649 33.448 31.823 -0.041 0.000 0.984 128 V HN 0.633 nan 8.190 nan 0.000 0.451 129 V N 3.546 123.401 119.914 -0.099 0.000 2.815 129 V HA 0.458 4.579 4.120 0.001 0.000 0.314 129 V C -0.463 175.515 176.094 -0.192 0.000 1.064 129 V CA -0.757 61.486 62.300 -0.094 0.000 0.952 129 V CB 2.384 34.146 31.823 -0.102 0.000 1.020 129 V HN 0.962 nan 8.190 nan 0.000 0.439 130 D N 1.025 121.242 120.400 -0.305 0.000 2.175 130 D HA 0.331 4.972 4.640 0.001 0.000 0.248 130 D C 1.028 177.236 176.300 -0.153 0.000 1.047 130 D CA -0.022 53.735 54.000 -0.406 0.000 0.883 130 D CB 2.058 42.336 40.800 -0.871 0.000 1.180 130 D HN 0.545 nan 8.370 nan 0.000 0.438 131 T N 2.649 117.166 114.554 -0.061 0.000 2.643 131 T HA -0.151 4.200 4.350 0.001 0.000 0.264 131 T C 1.737 176.473 174.700 0.059 0.000 1.045 131 T CA 1.015 63.174 62.100 0.099 0.000 1.155 131 T CB -0.260 68.716 68.868 0.179 0.000 0.863 131 T HN 0.496 nan 8.240 nan 0.000 0.420 132 I N 1.271 121.848 120.570 0.012 0.000 2.133 132 I HA -0.084 4.087 4.170 0.001 0.000 0.238 132 I C 2.220 178.340 176.117 0.004 0.000 1.074 132 I CA 1.667 62.976 61.300 0.015 0.000 1.342 132 I CB -0.340 37.669 38.000 0.015 0.000 1.053 132 I HN 0.250 nan 8.210 nan 0.000 0.404 133 E N 0.573 120.759 120.200 -0.024 0.000 2.285 133 E HA 0.147 4.497 4.350 0.001 0.000 0.194 133 E C 1.456 178.056 176.600 -0.001 0.000 0.997 133 E CA 0.584 56.981 56.400 -0.005 0.000 0.845 133 E CB -0.262 29.450 29.700 0.019 0.000 0.782 133 E HN 0.675 nan 8.360 nan 0.000 0.491 134 G N 0.901 109.686 108.800 -0.026 0.000 2.512 134 G HA2 -0.315 3.645 3.960 0.001 0.000 0.254 134 G HA3 -0.315 3.645 3.960 0.001 0.000 0.254 134 G C -0.093 174.808 174.900 0.002 0.000 1.199 134 G CA -0.209 44.887 45.100 -0.007 0.000 0.941 134 G HN 0.132 nan 8.290 nan 0.000 0.569 135 V N 1.815 121.738 119.914 0.014 0.000 2.353 135 V HA 0.415 4.536 4.120 0.001 0.000 0.264 135 V C 1.514 177.630 176.094 0.038 0.000 1.049 135 V CA -0.139 62.175 62.300 0.024 0.000 0.896 135 V CB -0.222 31.605 31.823 0.006 0.000 1.025 135 V HN 1.354 nan 8.190 nan 0.000 0.475 136 C N 4.857 124.197 119.300 0.066 0.000 2.595 136 C HA 0.490 4.951 4.460 0.001 0.000 0.384 136 C C 1.905 176.906 174.990 0.020 0.000 1.289 136 C CA -0.397 58.645 59.018 0.040 0.000 2.372 136 C CB 0.543 28.293 27.740 0.016 0.000 2.593 136 C HN 0.634 nan 8.230 nan 0.000 0.639 137 V N 1.905 121.825 119.914 0.009 0.000 2.231 137 V HA -0.297 3.823 4.120 0.001 0.000 0.250 137 V C 2.805 178.902 176.094 0.004 0.000 1.058 137 V CA 2.768 65.071 62.300 0.005 0.000 1.022 137 V CB -1.482 30.344 31.823 0.005 0.000 0.640 137 V HN 1.081 nan 8.190 nan 0.000 0.445 138 Q N 0.083 119.893 119.800 0.017 0.000 2.014 138 Q HA -0.276 4.064 4.340 0.001 0.000 0.207 138 Q C 2.179 178.178 176.000 -0.002 0.000 0.993 138 Q CA 2.943 58.755 55.803 0.015 0.000 0.850 138 Q CB -0.501 28.265 28.738 0.047 0.000 0.916 138 Q HN 0.632 nan 8.270 nan 0.000 0.417 139 T N 0.732 115.296 114.554 0.016 0.000 2.881 139 T HA -0.181 4.170 4.350 0.001 0.000 0.270 139 T C 1.487 176.165 174.700 -0.036 0.000 1.068 139 T CA 1.390 63.489 62.100 -0.002 0.000 1.131 139 T CB -0.219 68.669 68.868 0.033 0.000 0.871 139 T HN 0.457 nan 8.240 nan 0.000 0.479 140 E N 0.451 120.633 120.200 -0.030 0.000 2.077 140 E HA -0.148 4.203 4.350 0.001 0.000 0.193 140 E C 2.116 178.653 176.600 -0.105 0.000 0.989 140 E CA 1.338 57.708 56.400 -0.050 0.000 0.800 140 E CB -0.024 29.661 29.700 -0.026 0.000 0.746 140 E HN 0.379 nan 8.360 nan 0.000 0.452 141 T N 0.461 114.953 114.554 -0.103 0.000 2.708 141 T HA -0.120 4.231 4.350 0.001 0.000 0.266 141 T C 1.948 176.486 174.700 -0.269 0.000 1.037 141 T CA 1.369 63.370 62.100 -0.164 0.000 1.146 141 T CB -0.198 68.629 68.868 -0.069 0.000 0.865 141 T HN 0.029 nan 8.240 nan 0.000 0.435 142 V N 1.734 121.519 119.914 -0.217 0.000 2.332 142 V HA -0.123 3.998 4.120 0.001 0.000 0.248 142 V C 2.421 178.386 176.094 -0.215 0.000 1.055 142 V CA 1.241 63.389 62.300 -0.253 0.000 1.038 142 V CB -0.762 30.980 31.823 -0.134 0.000 0.651 142 V HN 0.313 nan 8.190 nan 0.000 0.450 143 L N 0.139 121.268 121.223 -0.158 0.000 2.042 143 L HA -0.167 4.174 4.340 0.001 0.000 0.210 143 L C 2.547 179.320 176.870 -0.162 0.000 1.076 143 L CA 1.916 56.679 54.840 -0.129 0.000 0.749 143 L CB -0.741 41.263 42.059 -0.093 0.000 0.893 143 L HN 0.173 nan 8.230 nan 0.000 0.432 144 R N -1.054 119.302 120.500 -0.240 0.000 2.097 144 R HA -0.196 4.144 4.340 0.001 0.000 0.236 144 R C 2.265 178.408 176.300 -0.261 0.000 1.135 144 R CA 1.881 57.780 56.100 -0.335 0.000 0.934 144 R CB -0.411 29.581 30.300 -0.513 0.000 0.846 144 R HN 0.488 nan 8.270 nan 0.000 0.431 145 Q N -0.114 119.495 119.800 -0.318 0.000 2.077 145 Q HA -0.178 4.163 4.340 0.001 0.000 0.206 145 Q C 2.124 178.025 176.000 -0.166 0.000 0.989 145 Q CA 1.930 57.559 55.803 -0.290 0.000 0.853 145 Q CB -0.527 27.922 28.738 -0.482 0.000 0.907 145 Q HN 0.379 nan 8.270 nan 0.000 0.418 146 A N 0.936 123.667 122.820 -0.147 0.000 1.908 146 A HA -0.162 4.158 4.320 0.001 0.000 0.218 146 A C 2.301 179.854 177.584 -0.051 0.000 1.181 146 A CA 1.350 53.338 52.037 -0.082 0.000 0.627 146 A CB -0.821 18.135 19.000 -0.074 0.000 0.818 146 A HN 0.339 nan 8.150 nan 0.000 0.445 147 L N -0.744 120.444 121.223 -0.058 0.000 2.131 147 L HA -0.138 4.203 4.340 0.001 0.000 0.210 147 L C 2.750 179.616 176.870 -0.006 0.000 1.092 147 L CA 0.948 55.776 54.840 -0.020 0.000 0.759 147 L CB -0.727 41.336 42.059 0.005 0.000 0.903 147 L HN 0.514 nan 8.230 nan 0.000 0.435 148 G N -0.693 108.090 108.800 -0.029 0.000 2.443 148 G HA2 -0.181 3.779 3.960 0.001 0.000 0.219 148 G HA3 -0.181 3.779 3.960 0.001 0.000 0.219 148 G C 1.369 176.269 174.900 -0.000 0.000 1.131 148 G CA 0.276 45.368 45.100 -0.012 0.000 0.775 148 G HN 0.298 nan 8.290 nan 0.000 0.547 149 E N 0.180 120.377 120.200 -0.004 0.000 2.479 149 E HA 0.082 4.433 4.350 0.001 0.000 0.193 149 E C 0.416 177.043 176.600 0.046 0.000 1.049 149 E CA -0.224 56.182 56.400 0.010 0.000 0.870 149 E CB 0.151 29.851 29.700 0.000 0.000 0.944 149 E HN 0.383 nan 8.360 nan 0.000 0.492 150 R N 0.775 121.307 120.500 0.053 0.000 3.246 150 R HA -0.122 4.219 4.340 0.001 0.000 0.260 150 R C -0.264 176.117 176.300 0.135 0.000 1.034 150 R CA 0.338 56.498 56.100 0.100 0.000 0.691 150 R CB -1.962 28.454 30.300 0.194 0.000 1.186 150 R HN 0.120 nan 8.270 nan 0.000 0.416 151 I N 0.942 121.550 120.570 0.063 0.000 2.428 151 I HA 0.182 4.353 4.170 0.001 0.000 0.296 151 I C 0.745 176.879 176.117 0.029 0.000 0.985 151 I CA -0.755 60.577 61.300 0.053 0.000 1.260 151 I CB 1.530 39.538 38.000 0.013 0.000 1.389 151 I HN -0.031 nan 8.210 nan 0.000 0.484 152 K N 8.777 129.200 120.400 0.038 0.000 2.285 152 K HA 0.342 4.663 4.320 0.001 0.000 0.286 152 K C -2.479 174.101 176.600 -0.034 0.000 1.072 152 K CA -1.448 54.840 56.287 0.002 0.000 0.913 152 K CB 0.655 33.174 32.500 0.032 0.000 1.067 152 K HN 0.269 nan 8.250 nan 0.000 0.479 153 P HA 0.218 nan 4.420 nan 0.000 0.282 153 P C -1.067 176.160 177.300 -0.122 0.000 1.259 153 P CA -0.635 62.410 63.100 -0.091 0.000 0.826 153 P CB 1.475 33.113 31.700 -0.102 0.000 1.064 154 V N 2.369 122.205 119.914 -0.130 0.000 2.612 154 V HA 0.191 4.311 4.120 0.001 0.000 0.301 154 V C 0.047 176.029 176.094 -0.186 0.000 1.059 154 V CA -0.671 61.530 62.300 -0.164 0.000 0.886 154 V CB 2.361 34.112 31.823 -0.120 0.000 1.007 154 V HN 0.273 nan 8.190 nan 0.000 0.426 155 V N 5.538 125.305 119.914 -0.246 0.000 2.716 155 V HA 0.664 4.785 4.120 0.001 0.000 0.304 155 V C -0.396 175.489 176.094 -0.348 0.000 1.053 155 V CA -0.536 61.600 62.300 -0.273 0.000 0.984 155 V CB 2.093 33.741 31.823 -0.291 0.000 1.021 155 V HN 0.568 nan 8.190 nan 0.000 0.467 156 V N 4.454 124.168 119.914 -0.334 0.000 2.567 156 V HA 0.373 4.493 4.120 0.001 0.000 0.298 156 V C -0.617 175.257 176.094 -0.366 0.000 1.047 156 V CA -0.383 61.685 62.300 -0.386 0.000 0.880 156 V CB 1.848 33.504 31.823 -0.279 0.000 1.009 156 V HN 0.603 nan 8.190 nan 0.000 0.429 157 I N 4.273 124.555 120.570 -0.480 0.000 2.308 157 I HA 0.283 4.453 4.170 0.001 0.000 0.293 157 I C 0.398 176.345 176.117 -0.284 0.000 1.078 157 I CA 0.295 61.394 61.300 -0.335 0.000 1.292 157 I CB 0.769 38.565 38.000 -0.339 0.000 1.423 157 I HN 0.659 nan 8.210 nan 0.000 0.493 158 N N 6.138 124.697 118.700 -0.235 0.000 2.447 158 N HA 0.248 4.989 4.740 0.001 0.000 0.271 158 N C -0.228 175.164 175.510 -0.197 0.000 1.226 158 N CA -0.311 52.596 53.050 -0.238 0.000 0.980 158 N CB 0.768 39.139 38.487 -0.194 0.000 1.206 158 N HN 0.313 nan 8.380 nan 0.000 0.558 159 K N -0.366 119.905 120.400 -0.214 0.000 3.244 159 K HA -0.128 4.192 4.320 0.001 0.000 0.270 159 K C 0.182 176.737 176.600 -0.075 0.000 1.016 159 K CA 0.219 56.415 56.287 -0.151 0.000 0.754 159 K CB -2.461 29.969 32.500 -0.116 0.000 1.326 159 K HN 0.262 nan 8.250 nan 0.000 0.465 160 V N 0.467 120.325 119.914 -0.094 0.000 2.591 160 V HA -0.234 3.886 4.120 0.001 0.000 0.249 160 V C 2.447 178.627 176.094 0.143 0.000 1.053 160 V CA 2.295 64.654 62.300 0.099 0.000 1.068 160 V CB -0.393 31.546 31.823 0.194 0.000 0.689 160 V HN 0.655 nan 8.190 nan 0.000 0.462 161 D N 0.280 120.750 120.400 0.117 0.000 2.133 161 D HA -0.271 4.369 4.640 0.001 0.000 0.195 161 D C 2.061 178.478 176.300 0.194 0.000 0.997 161 D CA 1.220 55.366 54.000 0.243 0.000 0.840 161 D CB -0.360 40.427 40.800 -0.021 0.000 0.947 161 D HN 0.186 nan 8.370 nan 0.000 0.452 162 R N 0.289 120.846 120.500 0.096 0.000 2.303 162 R HA 0.053 4.394 4.340 0.001 0.000 0.225 162 R C 2.091 178.453 176.300 0.102 0.000 1.114 162 R CA 1.008 57.164 56.100 0.093 0.000 1.007 162 R CB -0.622 29.706 30.300 0.047 0.000 0.861 162 R HN 0.483 nan 8.270 nan 0.000 0.471 163 A N 0.599 123.485 122.820 0.111 0.000 1.943 163 A HA 0.042 4.363 4.320 0.001 0.000 0.213 163 A C 2.186 179.845 177.584 0.125 0.000 1.181 163 A CA 0.439 52.538 52.037 0.103 0.000 0.653 163 A CB -0.088 18.972 19.000 0.100 0.000 0.833 163 A HN 0.160 nan 8.150 nan 0.000 0.451 164 L N -0.936 120.377 121.223 0.150 0.000 2.121 164 L HA 0.090 4.431 4.340 0.001 0.000 0.200 164 L C 2.229 179.238 176.870 0.233 0.000 1.077 164 L CA 0.536 55.495 54.840 0.198 0.000 0.766 164 L CB -0.955 41.176 42.059 0.121 0.000 0.931 164 L HN 0.185 nan 8.230 nan 0.000 0.452 165 L N -0.001 121.386 121.223 0.273 0.000 2.447 165 L HA -0.151 4.190 4.340 0.001 0.000 0.225 165 L C 2.313 179.285 176.870 0.169 0.000 1.148 165 L CA 1.142 56.130 54.840 0.247 0.000 0.808 165 L CB -0.288 41.936 42.059 0.275 0.000 0.928 165 L HN 0.429 nan 8.230 nan 0.000 0.448 166 E N -1.054 119.232 120.200 0.145 0.000 2.434 166 E HA 0.124 4.475 4.350 0.001 0.000 0.207 166 E C -0.276 176.380 176.600 0.093 0.000 0.929 166 E CA -0.024 56.442 56.400 0.109 0.000 1.001 166 E CB 0.712 30.469 29.700 0.096 0.000 1.016 166 E HN 0.138 nan 8.360 nan 0.000 0.502 167 L N 0.062 121.346 121.223 0.100 0.000 2.322 167 L HA 0.329 4.669 4.340 0.001 0.000 0.252 167 L C -0.544 176.380 176.870 0.090 0.000 1.055 167 L CA -0.737 54.153 54.840 0.082 0.000 0.849 167 L CB 1.229 43.330 42.059 0.070 0.000 1.446 167 L HN -0.195 nan 8.230 nan 0.000 0.416 168 Q N 0.668 120.508 119.800 0.068 0.000 2.490 168 Q HA 0.518 4.858 4.340 0.001 0.000 0.226 168 Q C -1.172 174.861 176.000 0.054 0.000 1.132 168 Q CA -0.141 55.698 55.803 0.059 0.000 0.928 168 Q CB 1.507 30.267 28.738 0.038 0.000 1.299 168 Q HN 0.365 nan 8.270 nan 0.000 0.528 169 V N 2.533 122.495 119.914 0.080 0.000 2.525 169 V HA 0.311 4.432 4.120 0.001 0.000 0.299 169 V C -0.267 175.866 176.094 0.066 0.000 1.034 169 V CA -0.452 61.892 62.300 0.074 0.000 0.863 169 V CB 2.117 33.997 31.823 0.095 0.000 0.999 169 V HN 0.846 nan 8.190 nan 0.000 0.423 170 S N 5.784 121.476 115.700 -0.013 0.000 2.596 170 S HA 0.282 4.753 4.470 0.001 0.000 0.260 170 S C 1.018 175.588 174.600 -0.051 0.000 1.336 170 S CA -0.478 57.652 58.200 -0.117 0.000 0.993 170 S CB 0.810 63.954 63.200 -0.094 0.000 0.923 170 S HN 0.784 nan 8.310 nan 0.000 0.567 171 K N 0.926 121.212 120.400 -0.190 0.000 1.985 171 K HA -0.188 4.132 4.320 0.001 0.000 0.210 171 K C 2.317 178.983 176.600 0.110 0.000 1.047 171 K CA 1.703 58.035 56.287 0.074 0.000 0.932 171 K CB -0.393 32.073 32.500 -0.056 0.000 0.716 171 K HN 0.806 nan 8.250 nan 0.000 0.439 172 E N 1.741 121.958 120.200 0.028 0.000 2.049 172 E HA -0.250 4.101 4.350 0.001 0.000 0.198 172 E C 1.461 178.117 176.600 0.093 0.000 1.007 172 E CA 2.229 58.669 56.400 0.066 0.000 0.809 172 E CB -0.201 29.504 29.700 0.008 0.000 0.749 172 E HN 0.172 nan 8.360 nan 0.000 0.450 173 D N -0.141 120.282 120.400 0.039 0.000 2.133 173 D HA -0.171 4.470 4.640 0.001 0.000 0.195 173 D C 1.866 178.156 176.300 -0.018 0.000 0.997 173 D CA 1.192 55.204 54.000 0.020 0.000 0.840 173 D CB -0.409 40.398 40.800 0.011 0.000 0.947 173 D HN 0.259 nan 8.370 nan 0.000 0.452 174 L N -0.344 120.868 121.223 -0.018 0.000 2.141 174 L HA -0.130 4.211 4.340 0.001 0.000 0.209 174 L C 2.082 178.690 176.870 -0.436 0.000 1.094 174 L CA 1.421 56.138 54.840 -0.206 0.000 0.763 174 L CB -0.760 41.255 42.059 -0.075 0.000 0.908 174 L HN 0.075 nan 8.230 nan 0.000 0.437 175 Y N -0.312 119.868 120.300 -0.199 0.000 2.163 175 Y HA -0.209 4.341 4.550 0.001 0.000 0.288 175 Y C 2.503 178.346 175.900 -0.095 0.000 1.136 175 Y CA 1.792 59.830 58.100 -0.104 0.000 1.147 175 Y CB -0.216 38.233 38.460 -0.019 0.000 0.987 175 Y HN 0.251 nan 8.280 nan 0.000 0.509 176 Q N -0.201 119.548 119.800 -0.085 0.000 2.181 176 Q HA -0.159 4.182 4.340 0.001 0.000 0.205 176 Q C 2.107 178.034 176.000 -0.121 0.000 0.980 176 Q CA 1.998 57.735 55.803 -0.110 0.000 0.862 176 Q CB -0.548 28.198 28.738 0.013 0.000 0.905 176 Q HN 0.533 nan 8.270 nan 0.000 0.429 177 T N 1.125 115.593 114.554 -0.142 0.000 2.614 177 T HA -0.119 4.232 4.350 0.001 0.000 0.263 177 T C 1.587 176.329 174.700 0.070 0.000 1.055 177 T CA 1.255 63.308 62.100 -0.077 0.000 1.162 177 T CB -0.378 68.400 68.868 -0.151 0.000 0.863 177 T HN 0.131 nan 8.240 nan 0.000 0.414 178 F N 2.089 122.095 119.950 0.094 0.000 2.087 178 F HA -0.097 4.430 4.527 0.001 0.000 0.299 178 F C 2.781 178.655 175.800 0.124 0.000 1.100 178 F CA 0.412 58.525 58.000 0.189 0.000 1.226 178 F CB -1.688 37.577 39.000 0.442 0.000 0.983 178 F HN 0.170 nan 8.300 nan 0.000 0.479 179 A N 0.250 123.185 122.820 0.192 0.000 1.892 179 A HA -0.242 4.079 4.320 0.001 0.000 0.218 179 A C 2.419 180.065 177.584 0.102 0.000 1.188 179 A CA 2.028 54.136 52.037 0.119 0.000 0.631 179 A CB -0.755 18.123 19.000 -0.204 0.000 0.822 179 A HN 0.364 nan 8.150 nan 0.000 0.447 180 R N -1.264 119.272 120.500 0.060 0.000 2.075 180 R HA -0.065 4.276 4.340 0.001 0.000 0.232 180 R C 2.324 178.661 176.300 0.061 0.000 1.126 180 R CA 1.680 57.811 56.100 0.053 0.000 0.963 180 R CB -0.757 29.564 30.300 0.036 0.000 0.858 180 R HN 0.549 nan 8.270 nan 0.000 0.435 181 T N 0.958 115.564 114.554 0.086 0.000 2.674 181 T HA -0.106 4.244 4.350 0.001 0.000 0.265 181 T C 2.007 176.722 174.700 0.024 0.000 1.039 181 T CA 1.424 63.562 62.100 0.064 0.000 1.150 181 T CB -0.232 68.698 68.868 0.102 0.000 0.864 181 T HN -0.014 nan 8.240 nan 0.000 0.427 182 V N 1.669 121.602 119.914 0.032 0.000 2.568 182 V HA -0.141 3.979 4.120 0.001 0.000 0.253 182 V C 2.640 178.725 176.094 -0.015 0.000 1.072 182 V CA 1.494 63.771 62.300 -0.040 0.000 1.084 182 V CB -0.539 31.247 31.823 -0.063 0.000 0.676 182 V HN 0.472 nan 8.190 nan 0.000 0.469 183 E N 0.259 120.479 120.200 0.034 0.000 2.046 183 E HA -0.149 4.201 4.350 0.001 0.000 0.190 183 E C 2.437 179.045 176.600 0.013 0.000 0.982 183 E CA 1.483 57.906 56.400 0.037 0.000 0.800 183 E CB -0.045 29.689 29.700 0.057 0.000 0.756 183 E HN 0.611 nan 8.360 nan 0.000 0.449 184 S N 0.464 116.172 115.700 0.013 0.000 2.359 184 S HA -0.173 4.297 4.470 0.001 0.000 0.223 184 S C 2.210 176.807 174.600 -0.005 0.000 1.039 184 S CA 1.483 59.688 58.200 0.008 0.000 1.042 184 S CB -0.511 62.695 63.200 0.011 0.000 0.915 184 S HN 0.115 nan 8.310 nan 0.000 0.439 185 V N 3.229 123.127 119.914 -0.026 0.000 2.231 185 V HA -0.251 3.869 4.120 0.001 0.000 0.248 185 V C 2.189 178.252 176.094 -0.052 0.000 1.054 185 V CA 1.924 64.195 62.300 -0.049 0.000 1.015 185 V CB -0.867 30.902 31.823 -0.091 0.000 0.638 185 V HN 0.458 nan 8.190 nan 0.000 0.444 186 N N 0.008 118.665 118.700 -0.071 0.000 2.348 186 N HA -0.123 4.617 4.740 0.001 0.000 0.185 186 N C 1.654 177.138 175.510 -0.042 0.000 1.019 186 N CA 1.260 54.261 53.050 -0.082 0.000 0.880 186 N CB -0.314 38.119 38.487 -0.090 0.000 0.965 186 N HN 0.412 nan 8.380 nan 0.000 0.437 187 V N 1.186 121.089 119.914 -0.019 0.000 2.515 187 V HA -0.136 3.984 4.120 0.001 0.000 0.250 187 V C 2.162 178.253 176.094 -0.005 0.000 1.058 187 V CA 1.066 63.358 62.300 -0.013 0.000 1.064 187 V CB -0.232 31.592 31.823 0.001 0.000 0.675 187 V HN 0.214 nan 8.190 nan 0.000 0.461 188 I N -0.696 119.894 120.570 0.033 0.000 2.277 188 I HA -0.120 4.051 4.170 0.001 0.000 0.243 188 I C 2.356 178.543 176.117 0.117 0.000 1.094 188 I CA 0.838 62.216 61.300 0.130 0.000 1.393 188 I CB -0.385 37.681 38.000 0.110 0.000 1.078 188 I HN 0.093 nan 8.210 nan 0.000 0.417 189 V N 1.214 121.140 119.914 0.021 0.000 2.324 189 V HA -0.297 3.824 4.120 0.001 0.000 0.250 189 V C 2.648 178.725 176.094 -0.028 0.000 1.060 189 V CA 2.442 64.734 62.300 -0.014 0.000 1.042 189 V CB -0.926 30.845 31.823 -0.087 0.000 0.650 189 V HN 0.608 nan 8.190 nan 0.000 0.450 190 S N -1.140 114.528 115.700 -0.053 0.000 2.414 190 S HA -0.155 4.316 4.470 0.001 0.000 0.227 190 S C 1.883 176.417 174.600 -0.111 0.000 1.022 190 S CA 1.507 59.665 58.200 -0.070 0.000 0.958 190 S CB -0.520 62.645 63.200 -0.059 0.000 0.797 190 S HN 0.546 nan 8.310 nan 0.000 0.493 191 T N 0.640 115.087 114.554 -0.179 0.000 2.904 191 T HA 0.092 4.443 4.350 0.001 0.000 0.267 191 T C 0.708 175.085 174.700 -0.537 0.000 1.059 191 T CA 1.136 62.986 62.100 -0.417 0.000 1.137 191 T CB -0.304 68.179 68.868 -0.642 0.000 0.879 191 T HN 0.624 nan 8.240 nan 0.000 0.467 192 Y N 0.318 120.599 120.300 -0.032 0.000 2.445 192 Y HA 0.624 5.175 4.550 0.001 0.000 0.247 192 Y C 1.147 177.026 175.900 -0.037 0.000 1.129 192 Y CA -1.125 56.958 58.100 -0.029 0.000 1.251 192 Y CB 0.055 38.495 38.460 -0.034 0.000 1.176 192 Y HN 0.087 nan 8.280 nan 0.000 0.522 193 A N 0.236 123.096 122.820 0.066 0.000 2.332 193 A HA 0.286 4.606 4.320 0.001 0.000 0.258 193 A C -0.437 177.143 177.584 -0.008 0.000 1.087 193 A CA -0.447 51.598 52.037 0.014 0.000 0.802 193 A CB 0.078 19.061 19.000 -0.028 0.000 1.042 193 A HN 0.112 nan 8.150 nan 0.000 0.489 194 D N 0.513 120.898 120.400 -0.025 0.000 2.350 194 D HA 0.278 4.918 4.640 0.001 0.000 0.249 194 D C 0.883 177.151 176.300 -0.054 0.000 1.119 194 D CA 0.048 54.028 54.000 -0.033 0.000 0.886 194 D CB 1.277 42.056 40.800 -0.035 0.000 1.195 194 D HN 0.615 nan 8.370 nan 0.000 0.437 195 E N 0.939 121.114 120.200 -0.041 0.000 2.085 195 E HA -0.142 4.208 4.350 0.001 0.000 0.194 195 E C 1.898 178.465 176.600 -0.055 0.000 0.994 195 E CA 0.701 57.075 56.400 -0.043 0.000 0.801 195 E CB 0.051 29.733 29.700 -0.029 0.000 0.743 195 E HN 0.294 nan 8.360 nan 0.000 0.453 196 V N 0.804 120.685 119.914 -0.056 0.000 2.282 196 V HA -0.316 3.804 4.120 0.001 0.000 0.249 196 V C 2.299 178.320 176.094 -0.121 0.000 1.057 196 V CA 1.827 64.087 62.300 -0.067 0.000 1.032 196 V CB -0.600 31.192 31.823 -0.051 0.000 0.645 196 V HN 0.337 nan 8.190 nan 0.000 0.447 197 L N -0.121 120.997 121.223 -0.175 0.000 2.137 197 L HA -0.015 4.326 4.340 0.001 0.000 0.213 197 L C 1.330 178.086 176.870 -0.189 0.000 1.085 197 L CA 1.266 55.937 54.840 -0.281 0.000 0.760 197 L CB -1.158 40.738 42.059 -0.271 0.000 0.893 197 L HN 0.664 nan 8.230 nan 0.000 0.434 198 G N -0.072 108.658 108.800 -0.115 0.000 2.710 198 G HA2 -0.261 3.699 3.960 0.001 0.000 0.668 198 G HA3 -0.261 3.699 3.960 0.001 0.000 0.668 198 G C -0.677 174.183 174.900 -0.066 0.000 1.320 198 G CA -0.273 44.783 45.100 -0.074 0.000 0.860 198 G HN 0.304 nan 8.290 nan 0.000 0.538 199 D N -0.926 119.454 120.400 -0.033 0.000 2.451 199 D HA 0.277 4.918 4.640 0.001 0.000 0.254 199 D C 0.989 177.250 176.300 -0.064 0.000 1.204 199 D CA 0.758 54.742 54.000 -0.026 0.000 0.896 199 D CB 1.086 41.911 40.800 0.041 0.000 1.136 199 D HN 0.687 nan 8.370 nan 0.000 0.499 200 V N 3.818 123.668 119.914 -0.107 0.000 3.276 200 V HA 0.080 4.201 4.120 0.001 0.000 0.319 200 V C 0.800 176.760 176.094 -0.223 0.000 1.427 200 V CA -0.045 62.171 62.300 -0.140 0.000 1.102 200 V CB -0.445 31.308 31.823 -0.116 0.000 1.020 200 V HN 0.613 nan 8.190 nan 0.000 0.456 201 Q N 0.548 120.166 119.800 -0.304 0.000 2.474 201 Q HA 0.208 4.548 4.340 0.001 0.000 0.256 201 Q C -0.167 175.393 176.000 -0.733 0.000 1.048 201 Q CA 0.215 55.729 55.803 -0.482 0.000 0.922 201 Q CB 1.397 29.810 28.738 -0.542 0.000 1.288 201 Q HN 0.453 nan 8.270 nan 0.000 0.484 202 V N -0.085 119.445 119.914 -0.640 0.000 2.439 202 V HA 0.417 4.537 4.120 0.001 0.000 0.282 202 V C -1.201 174.524 176.094 -0.615 0.000 1.039 202 V CA -0.708 61.248 62.300 -0.573 0.000 0.913 202 V CB 0.456 32.048 31.823 -0.385 0.000 0.983 202 V HN 0.516 nan 8.190 nan 0.000 0.460 203 Y N 4.438 124.585 120.300 -0.255 0.000 2.332 203 Y HA 0.486 5.036 4.550 0.001 0.000 0.326 203 Y C -1.977 173.706 175.900 -0.362 0.000 0.978 203 Y CA -2.587 55.348 58.100 -0.276 0.000 1.205 203 Y CB 2.024 40.382 38.460 -0.171 0.000 1.131 203 Y HN 0.428 nan 8.280 nan 0.000 0.462 204 P HA -0.257 nan 4.420 nan 0.000 0.217 204 P C 1.278 178.462 177.300 -0.193 0.000 1.151 204 P CA 2.536 65.343 63.100 -0.488 0.000 0.849 204 P CB 0.382 31.341 31.700 -1.235 0.000 0.787 205 A N -0.853 121.872 122.820 -0.159 0.000 2.067 205 A HA -0.122 4.199 4.320 0.001 0.000 0.219 205 A C 2.099 179.719 177.584 0.059 0.000 1.158 205 A CA 1.129 53.200 52.037 0.057 0.000 0.661 205 A CB -0.689 18.373 19.000 0.104 0.000 0.801 205 A HN 0.021 nan 8.150 nan 0.000 0.452 206 R N -1.156 119.357 120.500 0.021 0.000 2.317 206 R HA 0.128 4.468 4.340 0.001 0.000 0.208 206 R C 1.065 177.355 176.300 -0.017 0.000 0.914 206 R CA 0.688 56.806 56.100 0.031 0.000 1.060 206 R CB -0.234 30.098 30.300 0.054 0.000 1.015 206 R HN 0.718 nan 8.270 nan 0.000 0.498 207 G N 1.230 110.016 108.800 -0.025 0.000 2.147 207 G HA2 -0.288 3.672 3.960 0.001 0.000 0.244 207 G HA3 -0.288 3.672 3.960 0.001 0.000 0.244 207 G C 0.571 175.345 174.900 -0.209 0.000 1.005 207 G CA 0.907 46.008 45.100 0.002 0.000 0.713 207 G HN 0.403 nan 8.290 nan 0.000 0.515 208 T N -3.227 111.091 114.554 -0.392 0.000 3.174 208 T HA 0.591 4.942 4.350 0.001 0.000 0.269 208 T C 0.154 174.637 174.700 -0.363 0.000 1.017 208 T CA 0.280 62.102 62.100 -0.464 0.000 0.899 208 T CB 1.157 69.686 68.868 -0.565 0.000 1.077 208 T HN 0.828 nan 8.240 nan 0.000 0.552 209 V N 1.382 121.072 119.914 -0.372 0.000 2.569 209 V HA 0.807 4.927 4.120 0.001 0.000 0.301 209 V C -0.251 175.456 176.094 -0.646 0.000 1.044 209 V CA -1.071 60.906 62.300 -0.539 0.000 0.874 209 V CB 1.289 32.723 31.823 -0.649 0.000 1.002 209 V HN 0.636 nan 8.190 nan 0.000 0.424 210 A N 4.824 127.231 122.820 -0.688 0.000 2.330 210 A HA 1.025 5.345 4.320 0.001 0.000 0.329 210 A C -1.187 175.793 177.584 -1.006 0.000 1.135 210 A CA -0.462 51.194 52.037 -0.634 0.000 0.817 210 A CB 1.195 19.987 19.000 -0.347 0.000 1.269 210 A HN 0.656 nan 8.150 nan 0.000 0.469 211 F N -0.148 119.358 119.950 -0.739 0.000 2.563 211 F HA 0.786 5.314 4.527 0.001 0.000 0.316 211 F C 0.768 176.113 175.800 -0.759 0.000 1.076 211 F CA 0.126 57.641 58.000 -0.808 0.000 0.921 211 F CB 2.704 41.128 39.000 -0.960 0.000 1.209 211 F HN 1.033 nan 8.300 nan 0.000 0.462 212 G N 0.302 108.796 108.800 -0.510 0.000 2.336 212 G HA2 0.424 4.384 3.960 0.001 0.000 0.286 212 G HA3 0.424 4.384 3.960 0.001 0.000 0.286 212 G C -1.955 172.287 174.900 -1.098 0.000 1.269 212 G CA -0.674 43.789 45.100 -1.062 0.000 0.873 212 G HN 0.743 nan 8.290 nan 0.000 0.494 213 S N -1.131 113.768 115.700 -1.335 0.000 2.677 213 S HA 0.570 5.040 4.470 0.001 0.000 0.283 213 S C 1.167 175.468 174.600 -0.500 0.000 1.159 213 S CA 0.802 58.512 58.200 -0.817 0.000 1.001 213 S CB 1.109 63.802 63.200 -0.845 0.000 1.032 213 S HN 1.867 nan 8.310 nan 0.000 0.487 214 G N 3.614 112.244 108.800 -0.283 0.000 2.408 214 G HA2 -0.091 3.869 3.960 0.001 0.000 0.217 214 G HA3 -0.091 3.869 3.960 0.001 0.000 0.217 214 G C 1.235 176.103 174.900 -0.053 0.000 1.150 214 G CA 1.026 46.042 45.100 -0.140 0.000 0.776 214 G HN 0.663 nan 8.290 nan 0.000 0.542 215 L N 0.720 121.914 121.223 -0.049 0.000 1.944 215 L HA -0.162 4.178 4.340 0.001 0.000 0.218 215 L C 2.637 179.651 176.870 0.240 0.000 1.075 215 L CA 2.265 57.155 54.840 0.084 0.000 0.767 215 L CB -0.959 41.151 42.059 0.085 0.000 0.890 215 L HN 0.301 nan 8.230 nan 0.000 0.434 216 H N 0.244 119.373 119.070 0.099 0.000 2.491 216 H HA 0.226 4.783 4.556 0.001 0.000 0.290 216 H C 1.610 177.064 175.328 0.210 0.000 1.050 216 H CA 0.385 56.559 56.048 0.209 0.000 1.309 216 H CB -0.661 29.366 29.762 0.443 0.000 1.392 216 H HN 0.585 nan 8.280 nan 0.000 0.554 217 G N -0.565 108.361 108.800 0.211 0.000 2.165 217 G HA2 -0.169 3.792 3.960 0.001 0.000 0.226 217 G HA3 -0.169 3.792 3.960 0.001 0.000 0.226 217 G C -0.043 175.000 174.900 0.237 0.000 1.035 217 G CA 0.216 45.410 45.100 0.158 0.000 0.744 217 G HN 0.506 nan 8.290 nan 0.000 0.501 218 W N -1.072 120.301 121.300 0.122 0.000 2.882 218 W HA 0.864 5.524 4.660 0.001 0.000 0.345 218 W C -0.238 176.325 176.519 0.073 0.000 1.125 218 W CA -1.402 56.013 57.345 0.116 0.000 1.167 218 W CB 1.628 31.207 29.460 0.199 0.000 1.431 218 W HN 1.247 nan 8.180 nan 0.000 0.543 219 A N 2.582 125.625 122.820 0.372 0.000 2.590 219 A HA 0.712 5.033 4.320 0.001 0.000 0.296 219 A C -1.996 175.714 177.584 0.211 0.000 1.050 219 A CA -0.720 51.382 52.037 0.109 0.000 0.697 219 A CB 0.751 19.671 19.000 -0.134 0.000 1.277 219 A HN 1.104 nan 8.150 nan 0.000 0.411 220 F N -0.495 119.583 119.950 0.214 0.000 2.664 220 F HA 0.943 5.470 4.527 0.001 0.000 0.317 220 F C -0.126 175.796 175.800 0.205 0.000 1.108 220 F CA -0.328 57.732 58.000 0.100 0.000 0.957 220 F CB 1.498 40.500 39.000 0.003 0.000 1.365 220 F HN 0.905 nan 8.300 nan 0.000 0.475 221 T N -0.518 114.295 114.554 0.432 0.000 2.893 221 T HA 0.433 4.784 4.350 0.001 0.000 0.291 221 T C 0.492 175.521 174.700 0.549 0.000 1.028 221 T CA -0.675 61.657 62.100 0.387 0.000 0.995 221 T CB 1.474 70.436 68.868 0.158 0.000 1.051 221 T HN 0.586 nan 8.240 nan 0.000 0.470 222 I N 1.177 122.095 120.570 0.581 0.000 2.315 222 I HA -0.101 4.069 4.170 0.001 0.000 0.251 222 I C 2.541 178.896 176.117 0.396 0.000 1.125 222 I CA 1.231 62.874 61.300 0.571 0.000 1.392 222 I CB -1.211 37.078 38.000 0.483 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.424 223 R N 0.440 121.104 120.500 0.275 0.000 2.189 223 R HA -0.151 4.189 4.340 0.001 0.000 0.223 223 R C 2.080 178.464 176.300 0.141 0.000 1.092 223 R CA 0.992 57.204 56.100 0.187 0.000 0.989 223 R CB 0.077 30.461 30.300 0.141 0.000 0.876 223 R HN 0.486 nan 8.270 nan 0.000 0.457 224 Q N -0.941 118.933 119.800 0.123 0.000 2.062 224 Q HA -0.076 4.264 4.340 0.001 0.000 0.196 224 Q C 1.562 177.536 176.000 -0.044 0.000 0.967 224 Q CA 1.159 56.949 55.803 -0.023 0.000 0.832 224 Q CB 0.046 28.702 28.738 -0.137 0.000 0.899 224 Q HN 0.289 nan 8.270 nan 0.000 0.442 225 F N 0.426 120.429 119.950 0.089 0.000 2.407 225 F HA -0.017 4.510 4.527 0.001 0.000 0.299 225 F C 2.155 178.042 175.800 0.145 0.000 1.097 225 F CA 0.846 58.881 58.000 0.060 0.000 1.422 225 F CB -0.316 38.781 39.000 0.161 0.000 1.067 225 F HN 0.048 nan 8.300 nan 0.000 0.539 226 A N -1.042 121.982 122.820 0.341 0.000 2.066 226 A HA -0.078 4.243 4.320 0.001 0.000 0.218 226 A C 2.136 179.813 177.584 0.155 0.000 1.157 226 A CA 1.819 54.013 52.037 0.263 0.000 0.670 226 A CB -0.958 18.174 19.000 0.220 0.000 0.804 226 A HN 0.293 nan 8.150 nan 0.000 0.453 227 T N -0.661 113.950 114.554 0.095 0.000 3.054 227 T HA 0.018 4.368 4.350 0.001 0.000 0.259 227 T C 1.967 176.661 174.700 -0.009 0.000 1.092 227 T CA 0.894 63.016 62.100 0.036 0.000 1.121 227 T CB -0.022 68.852 68.868 0.010 0.000 0.912 227 T HN 0.526 nan 8.240 nan 0.000 0.489 228 R N 0.258 120.733 120.500 -0.042 0.000 2.048 228 R HA 0.094 4.435 4.340 0.001 0.000 0.224 228 R C 1.738 177.917 176.300 -0.201 0.000 1.163 228 R CA 0.949 56.950 56.100 -0.166 0.000 0.956 228 R CB -0.484 29.658 30.300 -0.262 0.000 0.849 228 R HN 0.297 nan 8.270 nan 0.000 0.435 229 Y N 1.161 121.451 120.300 -0.016 0.000 2.716 229 Y HA -0.050 4.501 4.550 0.001 0.000 0.302 229 Y C 2.040 177.953 175.900 0.022 0.000 1.160 229 Y CA 0.498 58.573 58.100 -0.041 0.000 1.362 229 Y CB -0.511 37.973 38.460 0.039 0.000 0.988 229 Y HN 0.221 nan 8.280 nan 0.000 0.546 230 A N 0.326 123.215 122.820 0.115 0.000 1.861 230 A HA -0.070 4.250 4.320 0.001 0.000 0.212 230 A C 2.388 180.009 177.584 0.060 0.000 1.199 230 A CA 1.207 53.301 52.037 0.096 0.000 0.613 230 A CB -0.276 18.765 19.000 0.068 0.000 0.846 230 A HN 0.275 nan 8.150 nan 0.000 0.446 231 K N 0.260 120.660 120.400 -0.000 0.000 1.980 231 K HA -0.067 4.253 4.320 0.001 0.000 0.208 231 K C 1.697 178.278 176.600 -0.032 0.000 1.043 231 K CA 1.764 58.042 56.287 -0.015 0.000 0.938 231 K CB -0.560 31.918 32.500 -0.038 0.000 0.724 231 K HN 0.268 nan 8.250 nan 0.000 0.438 232 K N -0.743 119.570 120.400 -0.145 0.000 2.360 232 K HA -0.082 4.238 4.320 0.001 0.000 0.201 232 K C 1.538 178.100 176.600 -0.063 0.000 1.046 232 K CA 1.102 57.265 56.287 -0.206 0.000 0.940 232 K CB -0.062 32.168 32.500 -0.450 0.000 0.748 232 K HN 0.157 nan 8.250 nan 0.000 0.465 233 F N -0.612 119.358 119.950 0.034 0.000 2.717 233 F HA 0.267 4.795 4.527 0.001 0.000 0.297 233 F C 0.784 176.604 175.800 0.033 0.000 1.113 233 F CA 0.035 58.053 58.000 0.028 0.000 1.319 233 F CB 0.712 39.718 39.000 0.011 0.000 1.097 233 F HN -0.028 nan 8.300 nan 0.000 0.595 234 G N 1.513 110.434 108.800 0.201 0.000 2.897 234 G HA2 0.166 4.126 3.960 0.001 0.000 0.436 234 G HA3 0.166 4.126 3.960 0.001 0.000 0.436 234 G C -0.957 174.009 174.900 0.110 0.000 1.079 234 G CA -0.264 44.914 45.100 0.130 0.000 1.090 234 G HN 0.336 nan 8.290 nan 0.000 0.480 235 V N 1.486 121.450 119.914 0.083 0.000 2.890 235 V HA 0.325 4.445 4.120 0.001 0.000 0.270 235 V C -0.682 175.440 176.094 0.047 0.000 1.889 235 V CA -0.206 62.129 62.300 0.059 0.000 0.897 235 V CB 1.705 33.561 31.823 0.056 0.000 1.373 235 V HN 1.589 nan 8.190 nan 0.000 0.417 236 D N 1.717 122.135 120.400 0.030 0.000 2.304 236 D HA 0.320 4.960 4.640 0.001 0.000 0.250 236 D C 0.974 177.292 176.300 0.030 0.000 1.107 236 D CA -0.163 53.854 54.000 0.028 0.000 0.885 236 D CB 1.061 41.874 40.800 0.021 0.000 1.192 236 D HN 0.717 nan 8.370 nan 0.000 0.436 237 K N 1.916 122.342 120.400 0.043 0.000 2.442 237 K HA -0.143 4.178 4.320 0.001 0.000 0.198 237 K C 1.629 178.260 176.600 0.052 0.000 1.044 237 K CA 0.764 57.086 56.287 0.058 0.000 0.948 237 K CB -0.211 32.331 32.500 0.070 0.000 0.762 237 K HN 0.396 nan 8.250 nan 0.000 0.472 238 A N 3.320 126.162 122.820 0.036 0.000 1.865 238 A HA -0.229 4.092 4.320 0.001 0.000 0.217 238 A C 1.983 179.578 177.584 0.019 0.000 1.191 238 A CA 2.013 54.069 52.037 0.032 0.000 0.623 238 A CB -0.416 18.597 19.000 0.022 0.000 0.826 238 A HN 0.593 nan 8.150 nan 0.000 0.444 239 K N -1.777 118.618 120.400 -0.008 0.000 2.426 239 K HA 0.198 4.519 4.320 0.001 0.000 0.193 239 K C 1.614 178.162 176.600 -0.086 0.000 1.028 239 K CA 0.904 57.161 56.287 -0.050 0.000 1.047 239 K CB -0.112 32.342 32.500 -0.077 0.000 0.821 239 K HN 0.342 nan 8.250 nan 0.000 0.513 240 M N 2.358 121.938 119.600 -0.034 0.000 2.248 240 M HA 0.083 4.563 4.480 0.001 0.000 0.265 240 M C 2.081 178.412 176.300 0.052 0.000 1.079 240 M CA 1.365 56.648 55.300 -0.028 0.000 1.150 240 M CB -0.135 32.495 32.600 0.049 0.000 1.366 240 M HN 0.329 nan 8.290 nan 0.000 0.433 241 M N -2.512 117.149 119.600 0.102 0.000 2.419 241 M HA 0.009 4.490 4.480 0.001 0.000 0.264 241 M C 1.183 177.579 176.300 0.161 0.000 1.082 241 M CA 1.566 56.971 55.300 0.175 0.000 1.119 241 M CB -0.749 31.959 32.600 0.181 0.000 1.398 241 M HN 0.011 nan 8.290 nan 0.000 0.453 242 D N 1.479 121.929 120.400 0.083 0.000 2.219 242 D HA -0.062 4.579 4.640 0.001 0.000 0.205 242 D C 2.053 178.391 176.300 0.063 0.000 0.970 242 D CA 1.037 55.079 54.000 0.069 0.000 0.851 242 D CB 0.037 40.845 40.800 0.013 0.000 0.943 242 D HN 0.512 nan 8.370 nan 0.000 0.488 243 R N -0.306 120.191 120.500 -0.005 0.000 2.127 243 R HA 0.144 4.485 4.340 0.001 0.000 0.217 243 R C 2.345 178.706 176.300 0.100 0.000 1.074 243 R CA 0.080 56.147 56.100 -0.056 0.000 0.991 243 R CB -0.087 29.987 30.300 -0.376 0.000 0.895 243 R HN 0.178 nan 8.270 nan 0.000 0.450 244 L N 0.026 121.373 121.223 0.207 0.000 2.551 244 L HA -0.097 4.244 4.340 0.001 0.000 0.230 244 L C 0.771 177.921 176.870 0.467 0.000 1.163 244 L CA 0.622 55.681 54.840 0.365 0.000 0.826 244 L CB -0.226 42.096 42.059 0.439 0.000 0.943 244 L HN 0.302 nan 8.230 nan 0.000 0.452 245 W N -0.318 121.068 121.300 0.143 0.000 3.033 245 W HA 0.447 5.107 4.660 0.000 0.000 0.336 245 W C 0.446 176.988 176.519 0.039 0.000 1.173 245 W CA 0.287 57.687 57.345 0.092 0.000 1.185 245 W CB 1.698 31.219 29.460 0.101 0.000 1.425 245 W HN 0.041 nan 8.180 nan 0.000 0.536 246 G N 3.044 111.494 108.800 -0.585 0.000 2.542 246 G HA2 -0.240 3.721 3.960 0.001 0.000 0.235 246 G HA3 -0.240 3.721 3.960 0.001 0.000 0.235 246 G C -0.865 173.829 174.900 -0.342 0.000 1.286 246 G CA -0.129 44.787 45.100 -0.307 0.000 0.904 246 G HN 0.459 nan 8.290 nan 0.000 0.577 247 D N 1.851 122.139 120.400 -0.187 0.000 2.479 247 D HA 0.551 5.191 4.640 0.001 0.000 0.218 247 D C -0.313 175.846 176.300 -0.234 0.000 1.131 247 D CA 0.428 54.284 54.000 -0.239 0.000 0.916 247 D CB 0.790 41.664 40.800 0.123 0.000 1.022 247 D HN 0.475 nan 8.370 nan 0.000 0.515 248 S N 1.661 116.991 115.700 -0.617 0.000 2.619 248 S HA 0.543 5.013 4.470 0.001 0.000 0.280 248 S C -0.737 173.620 174.600 -0.405 0.000 1.150 248 S CA -0.696 57.395 58.200 -0.182 0.000 0.978 248 S CB 1.050 64.252 63.200 0.004 0.000 1.041 248 S HN 0.182 nan 8.310 nan 0.000 0.485 249 F N 1.508 121.638 119.950 0.300 0.000 2.577 249 F HA 0.654 5.181 4.527 0.001 0.000 0.318 249 F C -0.607 175.260 175.800 0.111 0.000 1.065 249 F CA -1.055 57.039 58.000 0.155 0.000 0.929 249 F CB 1.257 40.268 39.000 0.019 0.000 1.237 249 F HN 0.528 nan 8.300 nan 0.000 0.468 250 F N 3.232 123.072 119.950 -0.183 0.000 2.443 250 F HA 0.384 4.912 4.527 0.001 0.000 0.369 250 F C -0.074 175.546 175.800 -0.300 0.000 1.090 250 F CA -0.880 56.783 58.000 -0.561 0.000 1.129 250 F CB 0.179 38.641 39.000 -0.896 0.000 1.367 250 F HN 0.378 nan 8.300 nan 0.000 0.465 251 N N 6.766 125.185 118.700 -0.468 0.000 2.357 251 N HA -0.014 4.727 4.740 0.001 0.000 0.257 251 N C -1.971 173.274 175.510 -0.441 0.000 1.250 251 N CA -0.433 52.399 53.050 -0.364 0.000 0.862 251 N CB 0.820 39.130 38.487 -0.296 0.000 1.066 251 N HN 0.357 nan 8.380 nan 0.000 0.468 252 P HA 0.021 nan 4.420 nan 0.000 0.236 252 P C 0.660 177.861 177.300 -0.165 0.000 1.177 252 P CA 1.020 64.009 63.100 -0.185 0.000 0.773 252 P CB 0.372 32.003 31.700 -0.116 0.000 0.878 253 K N -0.391 119.905 120.400 -0.173 0.000 2.564 253 K HA 0.175 4.495 4.320 0.001 0.000 0.205 253 K C 0.633 177.143 176.600 -0.150 0.000 1.053 253 K CA 0.446 56.652 56.287 -0.135 0.000 1.072 253 K CB -0.572 31.865 32.500 -0.105 0.000 0.822 253 K HN 0.036 nan 8.250 nan 0.000 0.497 254 T N -4.297 110.129 114.554 -0.214 0.000 3.123 254 T HA 0.181 4.531 4.350 0.001 0.000 0.259 254 T C 0.040 174.566 174.700 -0.290 0.000 0.871 254 T CA -0.295 61.677 62.100 -0.213 0.000 0.857 254 T CB -0.121 68.623 68.868 -0.207 0.000 1.267 254 T HN 0.008 nan 8.240 nan 0.000 0.556 255 K N 0.492 120.615 120.400 -0.462 0.000 3.077 255 K HA -0.131 4.190 4.320 0.001 0.000 0.264 255 K C -0.472 175.716 176.600 -0.687 0.000 1.008 255 K CA 0.803 56.706 56.287 -0.639 0.000 0.740 255 K CB -1.228 31.133 32.500 -0.232 0.000 1.273 255 K HN 0.497 nan 8.250 nan 0.000 0.477 256 K N -0.432 119.487 120.400 -0.802 0.000 2.395 256 K HA 0.557 4.878 4.320 0.001 0.000 0.247 256 K C -1.497 174.852 176.600 -0.418 0.000 0.973 256 K CA -0.806 55.224 56.287 -0.428 0.000 0.828 256 K CB 0.844 33.236 32.500 -0.180 0.000 1.272 256 K HN 0.184 nan 8.250 nan 0.000 0.439 257 W N 2.076 123.389 121.300 0.021 0.000 2.335 257 W HA 0.432 5.093 4.660 0.001 0.000 0.307 257 W C -0.173 176.408 176.519 0.102 0.000 1.117 257 W CA -0.260 57.181 57.345 0.160 0.000 1.228 257 W CB 1.797 31.390 29.460 0.223 0.000 1.240 257 W HN 0.343 nan 8.180 nan 0.000 0.468 258 T N 2.015 116.804 114.554 0.392 0.000 2.858 258 T HA 0.294 4.644 4.350 0.001 0.000 0.285 258 T C 0.385 175.309 174.700 0.373 0.000 1.052 258 T CA -0.768 61.490 62.100 0.265 0.000 1.009 258 T CB 1.692 70.624 68.868 0.106 0.000 1.241 258 T HN 0.324 nan 8.240 nan 0.000 0.542 259 N N -0.432 118.422 118.700 0.257 0.000 2.211 259 N HA 0.124 4.864 4.740 0.001 0.000 0.216 259 N C -0.150 175.477 175.510 0.195 0.000 1.240 259 N CA 0.050 53.285 53.050 0.308 0.000 0.895 259 N CB 0.765 39.361 38.487 0.183 0.000 1.102 259 N HN 0.358 nan 8.380 nan 0.000 0.498 260 K N 1.223 121.629 120.400 0.011 0.000 2.219 260 K HA 0.017 4.338 4.320 0.001 0.000 0.258 260 K C 0.183 176.495 176.600 -0.480 0.000 1.008 260 K CA 0.013 56.221 56.287 -0.132 0.000 0.928 260 K CB 1.020 33.454 32.500 -0.111 0.000 0.983 260 K HN -0.070 nan 8.250 nan 0.000 0.484 261 D N 0.218 120.307 120.400 -0.519 0.000 2.328 261 D HA -0.033 4.607 4.640 0.001 0.000 0.226 261 D C 0.046 175.993 176.300 -0.588 0.000 1.066 261 D CA 0.474 53.967 54.000 -0.846 0.000 0.861 261 D CB 0.510 41.070 40.800 -0.400 0.000 0.912 261 D HN 0.444 nan 8.370 nan 0.000 0.521 262 T N -2.001 112.309 114.554 -0.408 0.000 2.696 262 T HA 0.268 4.619 4.350 0.001 0.000 0.291 262 T C -1.759 172.818 174.700 -0.205 0.000 1.095 262 T CA -0.938 61.006 62.100 -0.261 0.000 1.026 262 T CB 1.551 70.314 68.868 -0.173 0.000 1.390 262 T HN -0.068 nan 8.240 nan 0.000 0.513 263 D N 0.020 120.329 120.400 -0.151 0.000 2.384 263 D HA 0.511 5.151 4.640 0.001 0.000 0.250 263 D C 0.256 176.500 176.300 -0.094 0.000 1.029 263 D CA -0.467 53.461 54.000 -0.121 0.000 0.990 263 D CB 1.944 42.675 40.800 -0.116 0.000 1.175 263 D HN 0.747 nan 8.370 nan 0.000 0.532 264 A N 1.591 124.364 122.820 -0.077 0.000 3.078 264 A HA 0.075 4.395 4.320 0.001 0.000 0.258 264 A C 0.819 178.369 177.584 -0.057 0.000 1.971 264 A CA 1.265 53.266 52.037 -0.060 0.000 1.524 264 A CB -0.932 18.038 19.000 -0.051 0.000 0.871 264 A HN 0.605 nan 8.150 nan 0.000 0.609 265 E N -2.276 117.887 120.200 -0.062 0.000 2.967 265 E HA 0.341 4.691 4.350 0.001 0.000 0.287 265 E C 0.811 177.375 176.600 -0.060 0.000 1.132 265 E CA 0.198 56.565 56.400 -0.056 0.000 2.067 265 E CB -0.211 29.456 29.700 -0.056 0.000 2.121 265 E HN 0.721 nan 8.360 nan 0.000 1.046 266 G N 0.808 109.566 108.800 -0.070 0.000 4.665 266 G HA2 0.095 4.055 3.960 0.001 0.000 0.219 266 G HA3 0.095 4.055 3.960 0.001 0.000 0.219 266 G C -0.669 174.182 174.900 -0.082 0.000 0.664 266 G CA -0.512 44.544 45.100 -0.073 0.000 0.907 266 G HN 0.003 nan 8.290 nan 0.000 0.689 267 K N 1.348 121.693 120.400 -0.090 0.000 2.218 267 K HA 0.437 4.757 4.320 0.001 0.000 0.276 267 K C -2.522 174.004 176.600 -0.122 0.000 1.022 267 K CA -1.657 54.574 56.287 -0.094 0.000 0.946 267 K CB 1.179 33.626 32.500 -0.088 0.000 1.000 267 K HN -0.032 nan 8.250 nan 0.000 0.468 268 P HA -0.021 nan 4.420 nan 0.000 0.267 268 P C -0.824 176.383 177.300 -0.156 0.000 1.200 268 P CA 0.283 63.303 63.100 -0.133 0.000 0.772 268 P CB 0.507 32.153 31.700 -0.089 0.000 0.855 269 L N 2.673 123.764 121.223 -0.220 0.000 2.356 269 L HA 0.297 4.637 4.340 0.001 0.000 0.277 269 L C 0.479 177.439 176.870 0.149 0.000 0.996 269 L CA -0.837 53.893 54.840 -0.183 0.000 0.822 269 L CB 1.631 43.339 42.059 -0.585 0.000 1.256 269 L HN 0.275 nan 8.230 nan 0.000 0.413 270 E N 3.340 123.626 120.200 0.143 0.000 2.316 270 E HA 0.151 4.502 4.350 0.001 0.000 0.275 270 E C -0.043 176.620 176.600 0.104 0.000 1.029 270 E CA -0.213 56.242 56.400 0.092 0.000 0.871 270 E CB 1.354 31.018 29.700 -0.060 0.000 1.022 270 E HN 0.385 nan 8.360 nan 0.000 0.418 271 R N 1.226 121.653 120.500 -0.122 0.000 2.734 271 R HA 0.073 4.414 4.340 0.001 0.000 0.266 271 R C 1.193 177.274 176.300 -0.365 0.000 1.044 271 R CA 0.416 56.237 56.100 -0.464 0.000 1.128 271 R CB 0.558 30.515 30.300 -0.572 0.000 1.010 271 R HN 0.633 nan 8.270 nan 0.000 0.461 272 A N 4.459 127.096 122.820 -0.305 0.000 1.902 272 A HA -0.207 4.113 4.320 0.001 0.000 0.217 272 A C 1.824 179.310 177.584 -0.163 0.000 1.181 272 A CA 1.242 53.194 52.037 -0.141 0.000 0.623 272 A CB -0.599 18.562 19.000 0.269 0.000 0.818 272 A HN 0.856 nan 8.150 nan 0.000 0.443 273 F N 1.662 121.464 119.950 -0.246 0.000 2.095 273 F HA -0.225 4.303 4.527 0.001 0.000 0.298 273 F C 1.842 177.525 175.800 -0.196 0.000 1.104 273 F CA 2.242 60.156 58.000 -0.144 0.000 1.232 273 F CB -0.439 38.484 39.000 -0.129 0.000 0.987 273 F HN 0.275 nan 8.300 nan 0.000 0.475 274 N N -0.446 118.150 118.700 -0.174 0.000 2.309 274 N HA -0.133 4.608 4.740 0.001 0.000 0.182 274 N C 1.862 177.181 175.510 -0.318 0.000 1.018 274 N CA 1.270 54.192 53.050 -0.214 0.000 0.876 274 N CB -0.280 38.109 38.487 -0.163 0.000 0.972 274 N HN 0.363 nan 8.380 nan 0.000 0.434 275 M N -0.981 118.330 119.600 -0.481 0.000 2.115 275 M HA 0.015 4.495 4.480 0.001 0.000 0.261 275 M C 0.534 176.396 176.300 -0.731 0.000 1.079 275 M CA 1.471 56.330 55.300 -0.734 0.000 1.143 275 M CB 0.061 31.905 32.600 -1.259 0.000 1.332 275 M HN 0.055 nan 8.290 nan 0.000 0.421 276 F N -1.405 118.361 119.950 -0.308 0.000 2.749 276 F HA 0.163 4.690 4.527 0.001 0.000 0.300 276 F C 1.392 176.922 175.800 -0.450 0.000 1.103 276 F CA 0.067 57.837 58.000 -0.384 0.000 1.342 276 F CB -0.331 38.164 39.000 -0.842 0.000 1.098 276 F HN 0.034 nan 8.300 nan 0.000 0.586 277 I N -0.806 119.428 120.570 -0.561 0.000 3.744 277 I HA 0.039 4.209 4.170 0.001 0.000 0.240 277 I C 2.116 177.796 176.117 -0.729 0.000 1.096 277 I CA 0.505 61.160 61.300 -1.074 0.000 1.558 277 I CB -0.932 36.340 38.000 -1.213 0.000 1.531 277 I HN -0.162 nan 8.210 nan 0.000 0.459 278 L N 0.688 121.532 121.223 -0.631 0.000 2.079 278 L HA -0.254 4.086 4.340 0.001 0.000 0.210 278 L C 2.031 178.896 176.870 -0.008 0.000 1.081 278 L CA 1.842 56.522 54.840 -0.266 0.000 0.752 278 L CB -0.607 41.406 42.059 -0.077 0.000 0.896 278 L HN 0.401 nan 8.230 nan 0.000 0.433 279 D N -0.295 120.062 120.400 -0.070 0.000 2.078 279 D HA -0.136 4.504 4.640 0.001 0.000 0.193 279 D C -0.528 175.787 176.300 0.025 0.000 0.990 279 D CA 1.239 55.243 54.000 0.006 0.000 0.827 279 D CB -0.685 40.065 40.800 -0.083 0.000 0.975 279 D HN 0.045 nan 8.370 nan 0.000 0.451 280 P HA -0.160 nan 4.420 nan 0.000 0.215 280 P C 1.479 178.775 177.300 -0.006 0.000 1.163 280 P CA 1.299 64.403 63.100 0.006 0.000 0.894 280 P CB -0.031 31.712 31.700 0.072 0.000 0.791 281 I N -2.606 117.964 120.570 -0.000 0.000 2.226 281 I HA -0.247 3.924 4.170 0.001 0.000 0.245 281 I C 2.220 178.296 176.117 -0.069 0.000 1.100 281 I CA 1.487 62.755 61.300 -0.055 0.000 1.374 281 I CB -0.640 37.230 38.000 -0.215 0.000 1.057 281 I HN -0.133 nan 8.210 nan 0.000 0.413 282 F N 0.789 120.669 119.950 -0.116 0.000 2.171 282 F HA -0.211 4.316 4.527 0.001 0.000 0.300 282 F C 2.654 178.473 175.800 0.030 0.000 1.090 282 F CA 1.063 59.011 58.000 -0.087 0.000 1.293 282 F CB -0.151 38.789 39.000 -0.100 0.000 1.013 282 F HN -0.057 nan 8.300 nan 0.000 0.486 283 R N 0.249 120.868 120.500 0.198 0.000 2.096 283 R HA -0.138 4.203 4.340 0.001 0.000 0.235 283 R C 2.125 178.486 176.300 0.101 0.000 1.127 283 R CA 1.175 57.342 56.100 0.112 0.000 0.968 283 R CB -0.995 29.329 30.300 0.041 0.000 0.861 283 R HN 0.380 nan 8.270 nan 0.000 0.440 284 L N -0.503 120.780 121.223 0.101 0.000 2.141 284 L HA -0.118 4.222 4.340 0.001 0.000 0.209 284 L C 2.261 179.203 176.870 0.120 0.000 1.094 284 L CA 1.292 56.165 54.840 0.055 0.000 0.763 284 L CB -0.426 41.635 42.059 0.002 0.000 0.908 284 L HN 0.051 nan 8.230 nan 0.000 0.437 285 F N -0.065 119.879 119.950 -0.010 0.000 2.098 285 F HA -0.169 4.359 4.527 0.001 0.000 0.294 285 F C 2.645 178.463 175.800 0.029 0.000 1.107 285 F CA 1.471 59.486 58.000 0.024 0.000 1.234 285 F CB -0.423 38.626 39.000 0.081 0.000 1.002 285 F HN -0.049 nan 8.300 nan 0.000 0.472 286 T N -0.300 114.409 114.554 0.257 0.000 2.915 286 T HA -0.082 4.268 4.350 0.001 0.000 0.269 286 T C 1.973 176.703 174.700 0.050 0.000 1.071 286 T CA 0.958 63.141 62.100 0.137 0.000 1.132 286 T CB -0.394 68.543 68.868 0.116 0.000 0.878 286 T HN 0.280 nan 8.240 nan 0.000 0.479 287 A N 1.412 124.250 122.820 0.030 0.000 1.844 287 A HA 0.181 4.502 4.320 0.001 0.000 0.212 287 A C 2.258 179.792 177.584 -0.084 0.000 1.221 287 A CA 0.597 52.624 52.037 -0.016 0.000 0.607 287 A CB -0.726 18.266 19.000 -0.015 0.000 0.878 287 A HN 0.401 nan 8.150 nan 0.000 0.451 288 I N -0.196 120.297 120.570 -0.128 0.000 2.127 288 I HA -0.285 3.885 4.170 0.001 0.000 0.241 288 I C 2.417 178.271 176.117 -0.437 0.000 1.075 288 I CA 1.392 62.542 61.300 -0.250 0.000 1.334 288 I CB -0.323 37.529 38.000 -0.247 0.000 1.040 288 I HN 0.283 nan 8.210 nan 0.000 0.405 289 M N 0.031 119.429 119.600 -0.337 0.000 2.446 289 M HA -0.133 4.347 4.480 0.001 0.000 0.263 289 M C 1.173 177.278 176.300 -0.325 0.000 1.066 289 M CA 1.311 56.384 55.300 -0.378 0.000 1.087 289 M CB -1.286 31.210 32.600 -0.174 0.000 1.406 289 M HN 0.252 nan 8.290 nan 0.000 0.459 290 N N -0.453 118.138 118.700 -0.182 0.000 2.280 290 N HA 0.081 4.822 4.740 0.001 0.000 0.192 290 N C -0.174 175.405 175.510 0.115 0.000 1.109 290 N CA 0.039 53.091 53.050 0.004 0.000 0.855 290 N CB -0.032 38.475 38.487 0.033 0.000 0.974 290 N HN 0.188 nan 8.380 nan 0.000 0.482 291 F N 0.010 119.959 119.950 -0.003 0.000 3.084 291 F HA -0.276 4.252 4.527 0.001 0.000 0.286 291 F C 0.150 175.947 175.800 -0.005 0.000 0.855 291 F CA 0.412 58.408 58.000 -0.008 0.000 1.091 291 F CB -1.997 36.999 39.000 -0.007 0.000 1.177 291 F HN -0.066 nan 8.300 nan 0.000 0.542 292 K N 1.620 122.074 120.400 0.090 0.000 2.021 292 K HA -0.002 4.318 4.320 0.001 0.000 0.238 292 K C 1.419 178.050 176.600 0.052 0.000 1.149 292 K CA 0.284 56.611 56.287 0.067 0.000 1.105 292 K CB 0.025 32.545 32.500 0.033 0.000 1.246 292 K HN 0.508 nan 8.250 nan 0.000 0.307 293 K N 0.850 121.297 120.400 0.078 0.000 2.360 293 K HA -0.214 4.106 4.320 0.001 0.000 0.201 293 K C 0.894 177.513 176.600 0.031 0.000 1.046 293 K CA 1.812 58.134 56.287 0.059 0.000 0.940 293 K CB 0.053 32.593 32.500 0.067 0.000 0.748 293 K HN 0.400 nan 8.250 nan 0.000 0.465 294 D N 1.465 121.881 120.400 0.026 0.000 2.162 294 D HA -0.157 4.483 4.640 0.001 0.000 0.203 294 D C 1.423 177.728 176.300 0.008 0.000 0.967 294 D CA 1.096 55.106 54.000 0.016 0.000 0.840 294 D CB -0.177 40.632 40.800 0.015 0.000 0.972 294 D HN 0.512 nan 8.370 nan 0.000 0.482 295 E N 0.544 120.747 120.200 0.006 0.000 2.033 295 E HA 0.026 4.377 4.350 0.001 0.000 0.189 295 E C 2.525 179.116 176.600 -0.014 0.000 0.979 295 E CA 0.285 56.683 56.400 -0.003 0.000 0.802 295 E CB -0.043 29.655 29.700 -0.004 0.000 0.763 295 E HN 0.234 nan 8.360 nan 0.000 0.449 296 I N 2.229 122.789 120.570 -0.018 0.000 2.141 296 I HA -0.314 3.857 4.170 0.001 0.000 0.243 296 I C -0.430 175.668 176.117 -0.032 0.000 1.035 296 I CA 1.669 62.949 61.300 -0.034 0.000 1.302 296 I CB -1.738 36.243 38.000 -0.032 0.000 1.006 296 I HN 0.189 nan 8.210 nan 0.000 0.413 297 P HA -0.098 nan 4.420 nan 0.000 0.216 297 P C 1.956 179.245 177.300 -0.019 0.000 1.153 297 P CA 1.557 64.647 63.100 -0.016 0.000 0.848 297 P CB -0.074 31.623 31.700 -0.006 0.000 0.787 298 V N 0.535 120.440 119.914 -0.015 0.000 2.261 298 V HA -0.203 3.918 4.120 0.001 0.000 0.246 298 V C 2.750 178.831 176.094 -0.023 0.000 1.047 298 V CA 1.506 63.798 62.300 -0.013 0.000 1.015 298 V CB -1.463 30.356 31.823 -0.007 0.000 0.642 298 V HN 0.020 nan 8.190 nan 0.000 0.446 299 L N -0.582 120.622 121.223 -0.032 0.000 2.042 299 L HA -0.134 4.207 4.340 0.001 0.000 0.210 299 L C 2.184 179.007 176.870 -0.079 0.000 1.076 299 L CA 1.816 56.626 54.840 -0.049 0.000 0.749 299 L CB -0.964 41.063 42.059 -0.053 0.000 0.893 299 L HN 0.199 nan 8.230 nan 0.000 0.432 300 L N -0.256 120.921 121.223 -0.078 0.000 1.994 300 L HA -0.209 4.131 4.340 0.001 0.000 0.208 300 L C 2.624 179.451 176.870 -0.072 0.000 1.071 300 L CA 1.921 56.704 54.840 -0.094 0.000 0.745 300 L CB -0.766 41.251 42.059 -0.070 0.000 0.892 300 L HN 0.423 nan 8.230 nan 0.000 0.431 301 E N -0.518 119.656 120.200 -0.044 0.000 2.160 301 E HA -0.308 4.043 4.350 0.001 0.000 0.195 301 E C 2.158 178.742 176.600 -0.027 0.000 0.991 301 E CA 1.281 57.664 56.400 -0.028 0.000 0.810 301 E CB 0.021 29.712 29.700 -0.016 0.000 0.742 301 E HN 0.357 nan 8.360 nan 0.000 0.466 302 K N -0.013 120.369 120.400 -0.031 0.000 2.217 302 K HA -0.035 4.285 4.320 0.001 0.000 0.202 302 K C 1.607 178.190 176.600 -0.029 0.000 1.051 302 K CA 0.599 56.875 56.287 -0.018 0.000 0.952 302 K CB 0.157 32.653 32.500 -0.007 0.000 0.736 302 K HN 0.184 nan 8.250 nan 0.000 0.453 303 L N 0.378 121.561 121.223 -0.067 0.000 2.628 303 L HA 0.131 4.472 4.340 0.001 0.000 0.229 303 L C 0.075 176.931 176.870 -0.023 0.000 1.137 303 L CA -0.012 54.784 54.840 -0.073 0.000 0.909 303 L CB -0.007 41.892 42.059 -0.266 0.000 1.137 303 L HN 0.273 nan 8.230 nan 0.000 0.470 304 E N 1.619 121.805 120.200 -0.025 0.000 2.389 304 E HA -0.233 4.117 4.350 0.001 0.000 0.243 304 E C -0.283 176.319 176.600 0.004 0.000 1.154 304 E CA 0.005 56.401 56.400 -0.008 0.000 0.723 304 E CB -0.782 28.917 29.700 -0.001 0.000 1.261 304 E HN 0.474 nan 8.360 nan 0.000 0.390 305 I N 2.113 122.672 120.570 -0.018 0.000 2.306 305 I HA 0.173 4.343 4.170 0.001 0.000 0.288 305 I C 0.553 176.665 176.117 -0.008 0.000 1.036 305 I CA -0.906 60.390 61.300 -0.007 0.000 1.221 305 I CB 1.068 39.038 38.000 -0.050 0.000 1.385 305 I HN 0.024 nan 8.210 nan 0.000 0.472 306 V N 6.030 125.948 119.914 0.006 0.000 2.348 306 V HA 0.441 4.562 4.120 0.001 0.000 0.270 306 V C 0.089 176.188 176.094 0.008 0.000 1.037 306 V CA -0.670 61.633 62.300 0.004 0.000 0.872 306 V CB 0.749 32.577 31.823 0.007 0.000 1.002 306 V HN 0.506 nan 8.190 nan 0.000 0.464 307 L N 4.798 126.022 121.223 0.003 0.000 2.439 307 L HA 0.407 4.747 4.340 0.001 0.000 0.269 307 L C 0.693 177.567 176.870 0.008 0.000 1.179 307 L CA -0.209 54.634 54.840 0.005 0.000 0.828 307 L CB 0.625 42.684 42.059 0.000 0.000 1.106 307 L HN 0.553 nan 8.230 nan 0.000 0.467 308 K N 2.697 123.103 120.400 0.011 0.000 2.296 308 K HA 0.257 4.578 4.320 0.001 0.000 0.257 308 K C 0.796 177.402 176.600 0.009 0.000 1.088 308 K CA 0.393 56.687 56.287 0.010 0.000 0.980 308 K CB 0.712 33.220 32.500 0.013 0.000 1.430 308 K HN 0.865 nan 8.250 nan 0.000 0.441 309 G N 4.246 113.050 108.800 0.007 0.000 3.523 309 G HA2 -0.497 3.464 3.960 0.001 0.000 0.361 309 G HA3 -0.497 3.464 3.960 0.001 0.000 0.361 309 G C 0.957 175.861 174.900 0.008 0.000 1.349 309 G CA 1.064 46.169 45.100 0.007 0.000 1.173 309 G HN 0.660 nan 8.290 nan 0.000 0.709 310 D N 1.193 121.598 120.400 0.008 0.000 2.218 310 D HA -0.039 4.601 4.640 0.001 0.000 0.204 310 D C 1.958 178.265 176.300 0.010 0.000 0.976 310 D CA 1.703 55.709 54.000 0.009 0.000 0.853 310 D CB -0.652 40.154 40.800 0.009 0.000 0.939 310 D HN 0.720 nan 8.370 nan 0.000 0.481 311 E N 0.508 120.714 120.200 0.010 0.000 2.208 311 E HA -0.087 4.263 4.350 0.001 0.000 0.193 311 E C 2.020 178.625 176.600 0.009 0.000 0.988 311 E CA 0.259 56.665 56.400 0.010 0.000 0.828 311 E CB -0.017 29.689 29.700 0.011 0.000 0.763 311 E HN 0.259 nan 8.360 nan 0.000 0.478 312 K N 1.190 121.595 120.400 0.008 0.000 2.218 312 K HA -0.207 4.114 4.320 0.001 0.000 0.205 312 K C 1.305 177.913 176.600 0.013 0.000 1.046 312 K CA 1.748 58.039 56.287 0.008 0.000 0.933 312 K CB 0.015 32.519 32.500 0.007 0.000 0.728 312 K HN 0.192 nan 8.250 nan 0.000 0.454 313 D N -0.862 119.547 120.400 0.016 0.000 2.350 313 D HA -0.027 4.614 4.640 0.001 0.000 0.213 313 D C 0.201 176.523 176.300 0.038 0.000 1.031 313 D CA -0.253 53.761 54.000 0.024 0.000 0.861 313 D CB 0.049 40.860 40.800 0.018 0.000 0.926 313 D HN -0.107 nan 8.370 nan 0.000 0.520 314 L N 1.454 122.696 121.223 0.032 0.000 2.536 314 L HA 0.107 4.448 4.340 0.001 0.000 0.294 314 L C 0.665 177.584 176.870 0.081 0.000 1.257 314 L CA 1.064 55.928 54.840 0.041 0.000 0.850 314 L CB -0.000 42.067 42.059 0.014 0.000 1.105 314 L HN 0.405 nan 8.230 nan 0.000 0.517 315 E N 0.557 120.825 120.200 0.114 0.000 2.429 315 E HA 0.595 4.945 4.350 0.001 0.000 0.280 315 E C 0.059 176.805 176.600 0.244 0.000 1.068 315 E CA -0.517 56.033 56.400 0.250 0.000 0.837 315 E CB 0.796 30.838 29.700 0.571 0.000 1.357 315 E HN 0.775 nan 8.360 nan 0.000 0.455 316 G N 1.996 110.920 108.800 0.206 0.000 2.531 316 G HA2 -0.365 3.595 3.960 0.001 0.000 0.274 316 G HA3 -0.365 3.595 3.960 0.001 0.000 0.274 316 G C 0.592 175.450 174.900 -0.070 0.000 1.159 316 G CA 0.427 45.622 45.100 0.158 0.000 0.969 316 G HN 0.570 nan 8.290 nan 0.000 0.554 317 K N 1.742 122.140 120.400 -0.004 0.000 2.504 317 K HA 0.424 4.745 4.320 0.001 0.000 0.195 317 K C 2.530 179.076 176.600 -0.090 0.000 1.036 317 K CA 1.980 58.226 56.287 -0.069 0.000 0.984 317 K CB -0.746 31.746 32.500 -0.013 0.000 0.788 317 K HN 0.936 nan 8.250 nan 0.000 0.488 318 A N -0.351 122.447 122.820 -0.038 0.000 2.115 318 A HA 0.054 4.374 4.320 0.001 0.000 0.211 318 A C 1.756 179.307 177.584 -0.054 0.000 1.169 318 A CA 0.141 52.158 52.037 -0.032 0.000 0.787 318 A CB -0.181 18.827 19.000 0.014 0.000 0.858 318 A HN 0.232 nan 8.150 nan 0.000 0.474 319 L N 0.202 121.380 121.223 -0.075 0.000 2.056 319 L HA -0.064 4.277 4.340 0.001 0.000 0.207 319 L C 2.118 178.903 176.870 -0.143 0.000 1.078 319 L CA 2.420 57.199 54.840 -0.101 0.000 0.749 319 L CB -0.602 41.359 42.059 -0.164 0.000 0.901 319 L HN 0.498 nan 8.230 nan 0.000 0.433 320 L N -3.259 117.834 121.223 -0.216 0.000 2.416 320 L HA 0.150 4.490 4.340 0.001 0.000 0.216 320 L C 2.054 178.822 176.870 -0.171 0.000 1.098 320 L CA 0.879 55.577 54.840 -0.237 0.000 0.840 320 L CB -0.767 41.045 42.059 -0.411 0.000 0.981 320 L HN -0.009 nan 8.230 nan 0.000 0.462 321 K N 0.359 120.644 120.400 -0.191 0.000 2.147 321 K HA -0.044 4.277 4.320 0.001 0.000 0.205 321 K C 1.842 178.455 176.600 0.023 0.000 1.049 321 K CA 1.542 57.768 56.287 -0.102 0.000 0.936 321 K CB -0.201 32.227 32.500 -0.121 0.000 0.722 321 K HN 0.318 nan 8.250 nan 0.000 0.446 322 V N 0.401 120.314 119.914 -0.000 0.000 2.878 322 V HA -0.123 3.998 4.120 0.001 0.000 0.250 322 V C 2.084 178.204 176.094 0.044 0.000 1.075 322 V CA 0.889 63.207 62.300 0.031 0.000 1.096 322 V CB 0.177 32.008 31.823 0.014 0.000 0.724 322 V HN 0.028 nan 8.190 nan 0.000 0.467 323 V N -0.358 119.566 119.914 0.016 0.000 2.283 323 V HA -0.245 3.875 4.120 0.001 0.000 0.243 323 V C 2.497 178.649 176.094 0.096 0.000 1.039 323 V CA 1.881 64.191 62.300 0.018 0.000 1.016 323 V CB -0.623 31.169 31.823 -0.051 0.000 0.650 323 V HN 0.390 nan 8.190 nan 0.000 0.449 324 M N -0.390 119.275 119.600 0.107 0.000 2.202 324 M HA -0.172 4.308 4.480 0.001 0.000 0.262 324 M C 2.359 178.828 176.300 0.283 0.000 1.063 324 M CA 1.712 57.123 55.300 0.185 0.000 1.097 324 M CB -0.865 31.806 32.600 0.120 0.000 1.382 324 M HN 0.317 nan 8.290 nan 0.000 0.413 325 R N 0.039 120.682 120.500 0.237 0.000 2.073 325 R HA -0.107 4.234 4.340 0.001 0.000 0.229 325 R C 2.254 178.653 176.300 0.165 0.000 1.120 325 R CA 1.135 57.362 56.100 0.211 0.000 0.967 325 R CB -0.159 30.237 30.300 0.160 0.000 0.862 325 R HN 0.232 nan 8.270 nan 0.000 0.436 326 K N -0.138 120.352 120.400 0.150 0.000 2.103 326 K HA -0.096 4.225 4.320 0.001 0.000 0.204 326 K C 1.678 178.387 176.600 0.182 0.000 1.052 326 K CA 0.838 57.202 56.287 0.128 0.000 0.945 326 K CB -0.095 32.463 32.500 0.097 0.000 0.722 326 K HN -0.032 nan 8.250 nan 0.000 0.443 327 F N 0.974 120.939 119.950 0.025 0.000 2.022 327 F HA 0.059 4.587 4.527 0.001 0.000 0.293 327 F C 0.324 176.132 175.800 0.014 0.000 1.142 327 F CA 1.235 59.238 58.000 0.004 0.000 1.177 327 F CB 0.010 39.001 39.000 -0.017 0.000 0.982 327 F HN -0.162 nan 8.300 nan 0.000 0.473 328 L N 1.645 122.831 121.223 -0.062 0.000 2.445 328 L HA 0.326 4.667 4.340 0.001 0.000 0.252 328 L C -2.479 174.460 176.870 0.115 0.000 1.105 328 L CA -1.909 52.854 54.840 -0.128 0.000 0.943 328 L CB 0.954 42.910 42.059 -0.172 0.000 1.277 328 L HN -0.103 nan 8.230 nan 0.000 0.465 329 P HA -0.041 nan 4.420 nan 0.000 0.252 329 P C 0.948 178.293 177.300 0.074 0.000 1.183 329 P CA 0.255 63.405 63.100 0.084 0.000 0.973 329 P CB 0.993 32.719 31.700 0.043 0.000 0.990 330 A N 5.269 128.152 122.820 0.105 0.000 1.940 330 A HA -0.295 4.025 4.320 0.001 0.000 0.221 330 A C 2.203 179.787 177.584 0.000 0.000 1.190 330 A CA 2.386 54.447 52.037 0.041 0.000 0.647 330 A CB -1.416 17.587 19.000 0.004 0.000 0.821 330 A HN 0.461 nan 8.150 nan 0.000 0.457 331 A N -0.326 122.501 122.820 0.012 0.000 1.908 331 A HA -0.234 4.087 4.320 0.001 0.000 0.218 331 A C 1.747 179.326 177.584 -0.009 0.000 1.181 331 A CA 2.176 54.213 52.037 0.000 0.000 0.627 331 A CB -0.743 18.266 19.000 0.015 0.000 0.818 331 A HN 0.560 nan 8.150 nan 0.000 0.445 332 D N -0.542 119.856 120.400 -0.004 0.000 2.183 332 D HA 0.132 4.772 4.640 0.001 0.000 0.203 332 D C 2.198 178.482 176.300 -0.027 0.000 0.969 332 D CA 1.126 55.117 54.000 -0.015 0.000 0.842 332 D CB -0.135 40.657 40.800 -0.013 0.000 0.957 332 D HN 0.443 nan 8.370 nan 0.000 0.484 333 A N 0.326 123.132 122.820 -0.025 0.000 1.902 333 A HA -0.133 4.188 4.320 0.001 0.000 0.217 333 A C 2.091 179.642 177.584 -0.055 0.000 1.181 333 A CA 0.981 52.999 52.037 -0.032 0.000 0.623 333 A CB -0.674 18.309 19.000 -0.028 0.000 0.818 333 A HN 0.194 nan 8.150 nan 0.000 0.443 334 L N -0.779 120.405 121.223 -0.065 0.000 2.023 334 L HA -0.110 4.231 4.340 0.001 0.000 0.205 334 L C 2.418 179.249 176.870 -0.065 0.000 1.073 334 L CA 0.949 55.743 54.840 -0.077 0.000 0.745 334 L CB -0.686 41.327 42.059 -0.077 0.000 0.900 334 L HN 0.316 nan 8.230 nan 0.000 0.435 335 L N -0.114 121.077 121.223 -0.054 0.000 2.353 335 L HA -0.198 4.143 4.340 0.001 0.000 0.220 335 L C 2.588 179.408 176.870 -0.084 0.000 1.133 335 L CA 0.968 55.771 54.840 -0.062 0.000 0.798 335 L CB -0.478 41.554 42.059 -0.045 0.000 0.922 335 L HN 0.416 nan 8.230 nan 0.000 0.445 336 E N 0.573 120.733 120.200 -0.067 0.000 2.046 336 E HA -0.190 4.160 4.350 0.001 0.000 0.190 336 E C 2.356 178.913 176.600 -0.072 0.000 0.982 336 E CA 0.914 57.272 56.400 -0.071 0.000 0.800 336 E CB 0.042 29.721 29.700 -0.035 0.000 0.756 336 E HN 0.441 nan 8.360 nan 0.000 0.449 337 M N 0.485 120.068 119.600 -0.029 0.000 2.117 337 M HA -0.144 4.337 4.480 0.001 0.000 0.262 337 M C 2.429 178.716 176.300 -0.022 0.000 1.065 337 M CA 1.217 56.541 55.300 0.040 0.000 1.114 337 M CB -0.366 32.228 32.600 -0.010 0.000 1.361 337 M HN 0.189 nan 8.290 nan 0.000 0.408 338 I N -0.170 120.355 120.570 -0.075 0.000 2.151 338 I HA -0.295 3.875 4.170 0.001 0.000 0.243 338 I C 2.321 178.332 176.117 -0.176 0.000 1.080 338 I CA 1.362 62.603 61.300 -0.099 0.000 1.339 338 I CB -0.533 37.412 38.000 -0.092 0.000 1.039 338 I HN 0.099 nan 8.210 nan 0.000 0.409 339 V N 0.804 120.555 119.914 -0.272 0.000 2.323 339 V HA -0.210 3.911 4.120 0.001 0.000 0.244 339 V C 2.212 178.014 176.094 -0.486 0.000 1.041 339 V CA 1.520 63.515 62.300 -0.508 0.000 1.025 339 V CB -0.542 30.869 31.823 -0.687 0.000 0.656 339 V HN 0.364 nan 8.190 nan 0.000 0.451 340 L N -0.821 120.154 121.223 -0.413 0.000 2.395 340 L HA -0.011 4.329 4.340 0.001 0.000 0.218 340 L C 2.195 178.619 176.870 -0.743 0.000 1.130 340 L CA 0.999 55.517 54.840 -0.537 0.000 0.826 340 L CB -0.467 41.250 42.059 -0.572 0.000 0.941 340 L HN 0.480 nan 8.230 nan 0.000 0.451 341 H N -1.757 117.240 119.070 -0.121 0.000 3.067 341 H HA 0.318 4.875 4.556 0.001 0.000 0.241 341 H C 0.688 175.971 175.328 -0.076 0.000 0.961 341 H CA -0.300 55.695 56.048 -0.087 0.000 1.123 341 H CB 0.773 30.483 29.762 -0.087 0.000 1.448 341 H HN 0.098 nan 8.280 nan 0.000 0.457 342 L N 5.256 126.480 121.223 0.001 0.000 2.380 342 L HA 0.171 4.511 4.340 0.001 0.000 0.273 342 L C -1.954 174.904 176.870 -0.019 0.000 1.138 342 L CA -1.623 53.211 54.840 -0.010 0.000 0.832 342 L CB 0.647 42.686 42.059 -0.034 0.000 1.124 342 L HN -0.084 nan 8.230 nan 0.000 0.454 343 P HA 0.055 nan 4.420 nan 0.000 0.271 343 P C -0.585 176.714 177.300 -0.000 0.000 1.218 343 P CA -0.396 62.722 63.100 0.031 0.000 0.780 343 P CB 1.142 32.900 31.700 0.098 0.000 0.901 344 S N 1.994 117.693 115.700 -0.001 0.000 2.652 344 S HA 0.337 4.808 4.470 0.001 0.000 0.270 344 S C -1.940 172.641 174.600 -0.031 0.000 1.243 344 S CA -1.374 56.824 58.200 -0.004 0.000 0.999 344 S CB 0.108 63.320 63.200 0.021 0.000 0.973 344 S HN 0.248 nan 8.310 nan 0.000 0.544 345 P HA 0.070 nan 4.420 nan 0.000 0.242 345 P C 0.630 177.893 177.300 -0.062 0.000 1.198 345 P CA 0.277 63.336 63.100 -0.069 0.000 0.756 345 P CB -0.034 31.613 31.700 -0.089 0.000 0.911 346 V N -1.778 118.109 119.914 -0.047 0.000 2.908 346 V HA -0.083 4.038 4.120 0.001 0.000 0.240 346 V C 2.119 178.181 176.094 -0.053 0.000 1.117 346 V CA 1.792 64.068 62.300 -0.039 0.000 1.133 346 V CB -1.227 30.587 31.823 -0.015 0.000 0.857 346 V HN 0.100 nan 8.190 nan 0.000 0.478 347 T N 0.925 115.454 114.554 -0.041 0.000 2.857 347 T HA -0.047 4.303 4.350 0.001 0.000 0.266 347 T C 2.011 176.598 174.700 -0.189 0.000 1.048 347 T CA 1.527 63.619 62.100 -0.013 0.000 1.139 347 T CB -0.295 68.611 68.868 0.065 0.000 0.874 347 T HN 0.473 nan 8.240 nan 0.000 0.455 348 A N 1.647 124.253 122.820 -0.356 0.000 1.898 348 A HA -0.044 4.276 4.320 0.001 0.000 0.214 348 A C 2.327 179.408 177.584 -0.839 0.000 1.183 348 A CA 0.852 52.336 52.037 -0.922 0.000 0.622 348 A CB -0.561 18.210 19.000 -0.381 0.000 0.824 348 A HN 0.476 nan 8.150 nan 0.000 0.444 349 Q N -0.395 119.202 119.800 -0.339 0.000 2.226 349 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 349 Q C 2.267 178.158 176.000 -0.182 0.000 0.975 349 Q CA 1.111 56.816 55.803 -0.162 0.000 0.866 349 Q CB -0.376 28.360 28.738 -0.002 0.000 0.915 349 Q HN 0.693 nan 8.270 nan 0.000 0.440 350 A N 0.991 123.684 122.820 -0.211 0.000 1.930 350 A HA -0.173 4.147 4.320 0.001 0.000 0.217 350 A C 1.533 179.113 177.584 -0.007 0.000 1.175 350 A CA 1.314 53.305 52.037 -0.077 0.000 0.627 350 A CB -0.485 18.511 19.000 -0.007 0.000 0.815 350 A HN 0.607 nan 8.150 nan 0.000 0.443 351 Y N -3.765 116.538 120.300 0.005 0.000 2.531 351 Y HA 0.614 5.164 4.550 0.001 0.000 0.249 351 Y C 1.545 177.441 175.900 -0.006 0.000 1.168 351 Y CA -0.311 57.788 58.100 -0.001 0.000 1.226 351 Y CB -0.086 38.373 38.460 -0.000 0.000 1.177 351 Y HN 0.093 nan 8.280 nan 0.000 0.527 352 R N -0.080 120.361 120.500 -0.097 0.000 2.344 352 R HA 0.396 4.736 4.340 0.001 0.000 0.209 352 R C 2.148 178.396 176.300 -0.085 0.000 0.886 352 R CA 0.753 56.823 56.100 -0.050 0.000 1.040 352 R CB 0.193 30.416 30.300 -0.128 0.000 1.114 352 R HN 0.357 nan 8.270 nan 0.000 0.547 353 A N 1.714 124.476 122.820 -0.096 0.000 1.849 353 A HA -0.244 4.076 4.320 0.001 0.000 0.217 353 A C 1.700 179.247 177.584 -0.062 0.000 1.202 353 A CA 1.752 53.720 52.037 -0.115 0.000 0.629 353 A CB -0.546 18.401 19.000 -0.088 0.000 0.834 353 A HN 0.372 nan 8.150 nan 0.000 0.447 354 E N -0.899 119.292 120.200 -0.014 0.000 2.147 354 E HA -0.311 4.039 4.350 0.001 0.000 0.199 354 E C 2.221 178.827 176.600 0.010 0.000 1.005 354 E CA 1.549 57.961 56.400 0.020 0.000 0.810 354 E CB -0.232 29.480 29.700 0.021 0.000 0.736 354 E HN 0.801 nan 8.360 nan 0.000 0.460 355 Q N 0.238 120.031 119.800 -0.012 0.000 2.230 355 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 355 Q C 1.980 177.944 176.000 -0.060 0.000 0.963 355 Q CA 0.639 56.428 55.803 -0.024 0.000 0.866 355 Q CB 0.214 28.947 28.738 -0.009 0.000 0.931 355 Q HN 0.302 nan 8.270 nan 0.000 0.452 356 L N -0.623 120.536 121.223 -0.106 0.000 2.529 356 L HA 0.116 4.456 4.340 0.001 0.000 0.223 356 L C 0.031 176.851 176.870 -0.084 0.000 1.113 356 L CA -0.199 54.529 54.840 -0.186 0.000 0.861 356 L CB 0.302 42.101 42.059 -0.433 0.000 1.012 356 L HN 0.140 nan 8.230 nan 0.000 0.461 357 Y N 1.006 121.210 120.300 -0.160 0.000 2.331 357 Y HA 0.205 4.756 4.550 0.001 0.000 0.338 357 Y C 0.790 176.643 175.900 -0.079 0.000 0.992 357 Y CA -0.989 57.048 58.100 -0.104 0.000 1.121 357 Y CB 0.924 39.326 38.460 -0.097 0.000 1.184 357 Y HN 0.022 nan 8.280 nan 0.000 0.469 358 E N 3.775 123.675 120.200 -0.500 0.000 2.368 358 E HA 0.210 4.560 4.350 0.001 0.000 0.188 358 E C 0.385 176.594 176.600 -0.652 0.000 1.061 358 E CA -0.097 56.060 56.400 -0.404 0.000 0.933 358 E CB 0.350 29.919 29.700 -0.219 0.000 1.091 358 E HN 0.846 nan 8.360 nan 0.000 0.458 359 G N 1.533 109.700 108.800 -1.055 0.000 3.107 359 G HA2 0.387 4.347 3.960 0.001 0.000 0.232 359 G HA3 0.387 4.347 3.960 0.001 0.000 0.232 359 G C -2.705 172.021 174.900 -0.291 0.000 1.339 359 G CA -1.335 43.141 45.100 -1.039 0.000 1.033 359 G HN -0.126 nan 8.290 nan 0.000 0.567 360 P HA 0.277 nan 4.420 nan 0.000 0.267 360 P C 0.457 177.816 177.300 0.099 0.000 1.209 360 P CA 0.145 63.253 63.100 0.014 0.000 0.763 360 P CB 1.319 33.037 31.700 0.030 0.000 0.816 361 A N 3.632 126.483 122.820 0.051 0.000 2.259 361 A HA -0.134 4.186 4.320 0.001 0.000 0.212 361 A C 1.147 178.744 177.584 0.021 0.000 1.178 361 A CA 1.451 53.516 52.037 0.046 0.000 0.734 361 A CB -0.751 18.262 19.000 0.022 0.000 0.774 361 A HN 0.632 nan 8.150 nan 0.000 0.481 362 D N -1.557 118.856 120.400 0.022 0.000 2.520 362 D HA 0.055 4.695 4.640 0.001 0.000 0.223 362 D C -0.038 176.265 176.300 0.006 0.000 1.186 362 D CA -0.180 53.824 54.000 0.006 0.000 0.821 362 D CB -0.669 40.136 40.800 0.008 0.000 1.072 362 D HN 0.296 nan 8.370 nan 0.000 0.518 363 D N 0.790 121.207 120.400 0.028 0.000 2.443 363 D HA 0.149 4.789 4.640 0.001 0.000 0.234 363 D C 1.609 177.892 176.300 -0.029 0.000 1.172 363 D CA 0.743 54.769 54.000 0.044 0.000 0.878 363 D CB 1.295 42.192 40.800 0.161 0.000 1.204 363 D HN 0.062 nan 8.370 nan 0.000 0.453 364 A N 3.172 125.986 122.820 -0.010 0.000 1.986 364 A HA -0.266 4.054 4.320 0.001 0.000 0.220 364 A C 1.826 179.357 177.584 -0.089 0.000 1.171 364 A CA 1.940 53.957 52.037 -0.033 0.000 0.640 364 A CB -0.630 18.368 19.000 -0.005 0.000 0.811 364 A HN 0.743 nan 8.150 nan 0.000 0.451 365 N N -1.128 117.477 118.700 -0.158 0.000 2.220 365 N HA -0.081 4.659 4.740 0.001 0.000 0.182 365 N C 1.647 176.907 175.510 -0.416 0.000 1.023 365 N CA 1.157 54.045 53.050 -0.270 0.000 0.856 365 N CB -0.751 37.550 38.487 -0.310 0.000 0.997 365 N HN 0.505 nan 8.380 nan 0.000 0.429 366 C N 0.880 119.794 119.300 -0.644 0.000 2.396 366 C HA -0.070 4.390 4.460 0.001 0.000 0.277 366 C C 2.359 177.214 174.990 -0.224 0.000 1.231 366 C CA 0.683 59.397 59.018 -0.507 0.000 1.775 366 C CB -1.282 26.283 27.740 -0.291 0.000 2.036 366 C HN 0.384 nan 8.230 nan 0.000 0.484 367 I N 1.196 121.671 120.570 -0.158 0.000 2.163 367 I HA -0.137 4.033 4.170 0.001 0.000 0.240 367 I C 2.899 178.968 176.117 -0.080 0.000 1.081 367 I CA 1.609 62.857 61.300 -0.087 0.000 1.353 367 I CB -0.757 37.208 38.000 -0.059 0.000 1.054 367 I HN 0.365 nan 8.210 nan 0.000 0.407 368 A N 1.183 123.949 122.820 -0.091 0.000 1.986 368 A HA -0.193 4.127 4.320 0.001 0.000 0.220 368 A C 2.246 179.801 177.584 -0.049 0.000 1.171 368 A CA 1.469 53.468 52.037 -0.062 0.000 0.640 368 A CB -0.669 18.294 19.000 -0.062 0.000 0.811 368 A HN 0.366 nan 8.150 nan 0.000 0.451 369 I N -0.496 120.025 120.570 -0.083 0.000 2.163 369 I HA -0.205 3.965 4.170 0.001 0.000 0.240 369 I C 2.315 178.420 176.117 -0.020 0.000 1.081 369 I CA 1.627 62.904 61.300 -0.039 0.000 1.353 369 I CB -1.264 36.664 38.000 -0.120 0.000 1.054 369 I HN 0.354 nan 8.210 nan 0.000 0.407 370 K N 0.930 121.301 120.400 -0.049 0.000 2.032 370 K HA -0.155 4.165 4.320 0.001 0.000 0.209 370 K C 1.490 178.074 176.600 -0.026 0.000 1.048 370 K CA 1.403 57.667 56.287 -0.038 0.000 0.927 370 K CB -0.139 32.342 32.500 -0.033 0.000 0.712 370 K HN 0.340 nan 8.250 nan 0.000 0.441 371 N N 0.434 119.120 118.700 -0.024 0.000 2.449 371 N HA -0.055 4.685 4.740 0.001 0.000 0.191 371 N C 0.129 175.630 175.510 -0.014 0.000 1.161 371 N CA 0.362 53.401 53.050 -0.017 0.000 0.863 371 N CB -0.196 38.280 38.487 -0.018 0.000 0.980 371 N HN 0.185 nan 8.380 nan 0.000 0.458 372 C N 2.321 121.617 119.300 -0.007 0.000 3.860 372 C HA -0.240 4.220 4.460 0.001 0.000 0.292 372 C C 0.213 175.197 174.990 -0.011 0.000 1.445 372 C CA -0.223 58.794 59.018 -0.002 0.000 2.040 372 C CB -2.500 25.232 27.740 -0.014 0.000 1.314 372 C HN 0.408 nan 8.230 nan 0.000 0.678 373 D N 1.289 121.682 120.400 -0.011 0.000 2.343 373 D HA 0.270 4.910 4.640 0.001 0.000 0.255 373 D C -0.476 175.816 176.300 -0.013 0.000 1.187 373 D CA -1.945 52.046 54.000 -0.014 0.000 0.875 373 D CB 0.956 41.747 40.800 -0.016 0.000 1.136 373 D HN 0.380 nan 8.370 nan 0.000 0.469 374 P HA -0.001 nan 4.420 nan 0.000 0.249 374 P C 0.448 177.738 177.300 -0.016 0.000 1.229 374 P CA 0.213 63.302 63.100 -0.018 0.000 0.788 374 P CB 0.483 32.169 31.700 -0.024 0.000 1.072 375 K N -0.434 119.958 120.400 -0.014 0.000 2.335 375 K HA 0.239 4.560 4.320 0.001 0.000 0.195 375 K C 1.418 178.012 176.600 -0.011 0.000 1.058 375 K CA 0.102 56.382 56.287 -0.012 0.000 0.988 375 K CB -0.083 32.409 32.500 -0.012 0.000 0.880 375 K HN 0.068 nan 8.250 nan 0.000 0.513 376 A N 1.966 124.779 122.820 -0.011 0.000 2.325 376 A HA 0.063 4.384 4.320 0.001 0.000 0.260 376 A C -0.099 177.481 177.584 -0.006 0.000 1.133 376 A CA -0.215 51.815 52.037 -0.011 0.000 0.801 376 A CB 0.003 18.992 19.000 -0.018 0.000 1.092 376 A HN 0.143 nan 8.150 nan 0.000 0.504 377 D N -0.177 120.221 120.400 -0.004 0.000 2.472 377 D HA 0.150 4.790 4.640 0.001 0.000 0.237 377 D C 0.146 176.453 176.300 0.010 0.000 1.141 377 D CA 0.176 54.178 54.000 0.004 0.000 0.875 377 D CB 0.440 41.246 40.800 0.009 0.000 1.192 377 D HN 0.360 nan 8.370 nan 0.000 0.450 378 L N 2.681 123.912 121.223 0.014 0.000 2.514 378 L HA -0.033 4.307 4.340 0.001 0.000 0.280 378 L C -0.068 176.832 176.870 0.050 0.000 1.223 378 L CA 0.809 55.664 54.840 0.025 0.000 0.864 378 L CB 0.142 42.210 42.059 0.015 0.000 1.118 378 L HN 0.295 nan 8.230 nan 0.000 0.494 379 M N 7.273 126.920 119.600 0.078 0.000 2.151 379 M HA 0.286 4.767 4.480 0.001 0.000 0.229 379 M C -1.200 175.220 176.300 0.201 0.000 1.029 379 M CA -0.113 55.269 55.300 0.136 0.000 0.765 379 M CB 0.732 33.406 32.600 0.122 0.000 1.969 379 M HN 0.499 nan 8.290 nan 0.000 0.352 380 L N 1.929 123.250 121.223 0.164 0.000 2.296 380 L HA 0.519 4.860 4.340 0.001 0.000 0.286 380 L C -1.403 175.605 176.870 0.229 0.000 1.023 380 L CA -0.722 54.213 54.840 0.159 0.000 0.812 380 L CB 1.435 43.528 42.059 0.057 0.000 1.223 380 L HN 0.546 nan 8.230 nan 0.000 0.421 381 Y N 4.943 125.353 120.300 0.183 0.000 2.341 381 Y HA 0.443 4.993 4.550 0.001 0.000 0.340 381 Y C -0.680 175.275 175.900 0.091 0.000 0.997 381 Y CA -0.522 57.693 58.100 0.191 0.000 1.149 381 Y CB 1.372 40.055 38.460 0.372 0.000 1.171 381 Y HN 0.282 nan 8.280 nan 0.000 0.494 382 V N 7.205 126.848 119.914 -0.452 0.000 2.334 382 V HA 0.079 4.199 4.120 0.001 0.000 0.267 382 V C 0.744 176.549 176.094 -0.482 0.000 1.040 382 V CA 0.487 62.601 62.300 -0.310 0.000 0.866 382 V CB 0.589 32.318 31.823 -0.157 0.000 1.019 382 V HN 1.000 nan 8.190 nan 0.000 0.468 383 S N 4.134 119.761 115.700 -0.121 0.000 2.425 383 S HA 0.078 4.548 4.470 0.001 0.000 0.225 383 S C 0.538 175.219 174.600 0.135 0.000 1.024 383 S CA 0.304 58.583 58.200 0.133 0.000 0.951 383 S CB -0.025 63.422 63.200 0.412 0.000 0.796 383 S HN 0.866 nan 8.310 nan 0.000 0.498 384 K N -0.870 119.627 120.400 0.161 0.000 2.642 384 K HA 0.489 4.809 4.320 0.001 0.000 0.290 384 K C -1.595 175.089 176.600 0.140 0.000 1.006 384 K CA -0.961 55.396 56.287 0.118 0.000 0.869 384 K CB 0.630 33.206 32.500 0.127 0.000 1.499 384 K HN -0.093 nan 8.250 nan 0.000 0.403 385 M N 2.356 122.011 119.600 0.093 0.000 2.205 385 M HA 0.364 4.844 4.480 0.001 0.000 0.344 385 M C -0.978 175.467 176.300 0.241 0.000 1.085 385 M CA -0.987 54.413 55.300 0.168 0.000 1.001 385 M CB 1.249 33.896 32.600 0.079 0.000 1.626 385 M HN 0.592 nan 8.290 nan 0.000 0.442 386 V N 6.700 126.744 119.914 0.218 0.000 2.459 386 V HA 0.597 4.717 4.120 0.001 0.000 0.295 386 V C -2.406 173.604 176.094 -0.140 0.000 1.029 386 V CA -2.207 60.128 62.300 0.057 0.000 0.874 386 V CB 2.377 34.177 31.823 -0.038 0.000 0.985 386 V HN 0.595 nan 8.190 nan 0.000 0.438 387 P HA 0.235 nan 4.420 nan 0.000 0.267 387 P C -0.508 176.436 177.300 -0.594 0.000 1.205 387 P CA 0.349 62.933 63.100 -0.860 0.000 0.765 387 P CB 0.457 31.764 31.700 -0.655 0.000 0.828 388 T N -1.492 112.663 114.554 -0.665 0.000 2.927 388 T HA 0.376 4.726 4.350 0.001 0.000 0.286 388 T C 1.278 175.746 174.700 -0.387 0.000 1.040 388 T CA -0.128 61.636 62.100 -0.559 0.000 1.010 388 T CB 1.147 69.474 68.868 -0.900 0.000 1.177 388 T HN 0.238 nan 8.240 nan 0.000 0.546 389 S N -0.612 114.926 115.700 -0.270 0.000 2.425 389 S HA -0.005 4.466 4.470 0.001 0.000 0.225 389 S C 0.858 175.376 174.600 -0.137 0.000 1.024 389 S CA 0.383 58.482 58.200 -0.168 0.000 0.951 389 S CB -0.628 62.514 63.200 -0.097 0.000 0.796 389 S HN 0.783 nan 8.310 nan 0.000 0.498 390 D N 3.056 123.373 120.400 -0.139 0.000 2.482 390 D HA 0.194 4.835 4.640 0.001 0.000 0.244 390 D C 0.078 176.333 176.300 -0.076 0.000 1.242 390 D CA 0.442 54.401 54.000 -0.069 0.000 1.097 390 D CB -0.725 40.073 40.800 -0.004 0.000 1.109 390 D HN 0.412 nan 8.370 nan 0.000 0.510 391 K N 0.292 120.653 120.400 -0.064 0.000 1.200 391 K HA -0.155 4.166 4.320 0.001 0.000 0.773 391 K C 0.839 177.391 176.600 -0.079 0.000 2.023 391 K CA 0.729 56.988 56.287 -0.046 0.000 1.213 391 K CB -1.303 31.191 32.500 -0.010 0.000 2.254 391 K HN 0.375 nan 8.250 nan 0.000 0.392 392 G N 1.060 109.845 108.800 -0.024 0.000 3.383 392 G HA2 0.041 4.001 3.960 0.001 0.000 0.251 392 G HA3 0.041 4.001 3.960 0.001 0.000 0.251 392 G C 0.082 175.042 174.900 0.100 0.000 1.203 392 G CA -0.119 44.982 45.100 0.002 0.000 0.852 392 G HN 0.098 nan 8.290 nan 0.000 0.531 393 R N -0.247 120.266 120.500 0.023 0.000 2.679 393 R HA 0.423 4.764 4.340 0.001 0.000 0.269 393 R C -0.924 175.403 176.300 0.045 0.000 1.076 393 R CA 0.019 56.203 56.100 0.140 0.000 1.160 393 R CB 0.531 30.881 30.300 0.083 0.000 1.054 393 R HN 0.176 nan 8.270 nan 0.000 0.507 394 F N 0.477 120.404 119.950 -0.040 0.000 2.551 394 F HA 0.343 4.871 4.527 0.001 0.000 0.316 394 F C -0.340 175.558 175.800 0.162 0.000 1.089 394 F CA -1.090 56.887 58.000 -0.038 0.000 0.915 394 F CB 1.412 40.401 39.000 -0.017 0.000 1.186 394 F HN 0.201 nan 8.300 nan 0.000 0.456 395 Y N 1.551 121.946 120.300 0.159 0.000 2.342 395 Y HA 0.616 5.166 4.550 0.001 0.000 0.334 395 Y C 0.362 176.352 175.900 0.151 0.000 1.067 395 Y CA -2.134 56.041 58.100 0.125 0.000 1.128 395 Y CB 1.191 39.701 38.460 0.083 0.000 1.200 395 Y HN 0.617 nan 8.280 nan 0.000 0.464 396 A N 3.983 126.972 122.820 0.282 0.000 2.401 396 A HA 0.447 4.768 4.320 0.001 0.000 0.259 396 A C -1.194 176.533 177.584 0.238 0.000 1.103 396 A CA -0.174 51.987 52.037 0.207 0.000 0.789 396 A CB -0.221 18.853 19.000 0.124 0.000 1.035 396 A HN 0.576 nan 8.150 nan 0.000 0.491 397 F N 2.156 122.147 119.950 0.069 0.000 2.482 397 F HA 0.682 5.210 4.527 0.001 0.000 0.331 397 F C 0.389 176.221 175.800 0.053 0.000 1.115 397 F CA 0.478 58.514 58.000 0.059 0.000 0.955 397 F CB 1.627 40.663 39.000 0.060 0.000 1.136 397 F HN 0.893 nan 8.300 nan 0.000 0.452 398 G N 5.056 113.483 108.800 -0.622 0.000 2.500 398 G HA2 0.475 4.436 3.960 0.001 0.000 0.299 398 G HA3 0.475 4.436 3.960 0.001 0.000 0.299 398 G C -2.065 172.586 174.900 -0.415 0.000 1.242 398 G CA -1.121 43.743 45.100 -0.393 0.000 0.859 398 G HN 0.764 nan 8.290 nan 0.000 0.481 399 R N -0.741 119.648 120.500 -0.185 0.000 2.673 399 R HA 0.608 4.949 4.340 0.001 0.000 0.281 399 R C -1.523 174.615 176.300 -0.269 0.000 0.991 399 R CA -0.563 55.345 56.100 -0.319 0.000 0.896 399 R CB 2.317 32.312 30.300 -0.508 0.000 1.201 399 R HN 0.381 nan 8.270 nan 0.000 0.457 400 V N 5.783 125.528 119.914 -0.282 0.000 2.339 400 V HA 0.213 4.333 4.120 0.001 0.000 0.261 400 V C 0.320 176.282 176.094 -0.220 0.000 1.058 400 V CA -0.076 62.131 62.300 -0.154 0.000 0.897 400 V CB 0.611 32.372 31.823 -0.103 0.000 1.052 400 V HN 0.763 nan 8.190 nan 0.000 0.480 401 F N 2.756 122.701 119.950 -0.007 0.000 2.512 401 F HA 0.457 4.985 4.527 0.001 0.000 0.296 401 F C 1.258 177.035 175.800 -0.037 0.000 1.110 401 F CA 0.799 58.784 58.000 -0.026 0.000 1.446 401 F CB 0.304 39.296 39.000 -0.014 0.000 1.092 401 F HN 0.576 nan 8.300 nan 0.000 0.554 402 A N -1.076 121.818 122.820 0.124 0.000 2.577 402 A HA 0.602 4.923 4.320 0.001 0.000 0.297 402 A C 0.179 177.778 177.584 0.025 0.000 1.060 402 A CA -0.259 51.811 52.037 0.054 0.000 0.697 402 A CB 0.311 19.336 19.000 0.041 0.000 1.281 402 A HN 0.694 nan 8.150 nan 0.000 0.402 403 G N 0.298 109.100 108.800 0.004 0.000 2.645 403 G HA2 0.418 4.379 3.960 0.001 0.000 0.239 403 G HA3 0.418 4.379 3.960 0.001 0.000 0.239 403 G C 0.156 175.049 174.900 -0.012 0.000 1.331 403 G CA 0.440 45.537 45.100 -0.004 0.000 0.890 403 G HN 2.870 nan 8.290 nan 0.000 0.572 404 T N -3.658 110.888 114.554 -0.014 0.000 2.971 404 T HA 0.660 5.011 4.350 0.001 0.000 0.304 404 T C -0.398 174.289 174.700 -0.021 0.000 1.038 404 T CA 0.178 62.265 62.100 -0.022 0.000 1.007 404 T CB 1.775 70.628 68.868 -0.025 0.000 1.055 404 T HN 2.038 nan 8.240 nan 0.000 0.451 405 V N 3.472 123.371 119.914 -0.026 0.000 2.644 405 V HA 0.822 4.943 4.120 0.001 0.000 0.295 405 V C -0.769 175.308 176.094 -0.028 0.000 1.053 405 V CA -0.457 61.828 62.300 -0.025 0.000 0.987 405 V CB 0.983 32.789 31.823 -0.028 0.000 1.006 405 V HN 1.161 nan 8.190 nan 0.000 0.472 406 K N 3.433 123.817 120.400 -0.026 0.000 2.543 406 K HA 0.463 4.783 4.320 0.001 0.000 0.255 406 K C -0.747 175.837 176.600 -0.026 0.000 0.934 406 K CA -0.528 55.743 56.287 -0.026 0.000 0.810 406 K CB 1.560 34.046 32.500 -0.023 0.000 1.315 406 K HN 0.438 nan 8.250 nan 0.000 0.433 407 S N 0.908 116.591 115.700 -0.028 0.000 2.642 407 S HA 0.174 4.645 4.470 0.001 0.000 0.308 407 S C 1.357 175.944 174.600 -0.022 0.000 1.255 407 S CA 1.574 59.757 58.200 -0.028 0.000 1.057 407 S CB 0.070 63.254 63.200 -0.028 0.000 0.785 407 S HN 1.062 nan 8.310 nan 0.000 0.500 408 G N 2.263 111.050 108.800 -0.020 0.000 2.336 408 G HA2 -0.316 3.644 3.960 0.001 0.000 0.233 408 G HA3 -0.316 3.644 3.960 0.001 0.000 0.233 408 G C 0.171 175.060 174.900 -0.019 0.000 1.053 408 G CA 0.333 45.423 45.100 -0.017 0.000 0.625 408 G HN 0.813 nan 8.290 nan 0.000 0.511 409 Q N 1.417 121.204 119.800 -0.021 0.000 2.283 409 Q HA 0.277 4.618 4.340 0.001 0.000 0.301 409 Q C 0.303 176.286 176.000 -0.029 0.000 1.063 409 Q CA 0.507 56.297 55.803 -0.023 0.000 0.952 409 Q CB 0.267 28.992 28.738 -0.023 0.000 1.166 409 Q HN 0.495 nan 8.270 nan 0.000 0.381 410 K N 2.904 123.285 120.400 -0.031 0.000 2.205 410 K HA 0.402 4.723 4.320 0.001 0.000 0.279 410 K C -1.308 175.264 176.600 -0.047 0.000 1.027 410 K CA -0.561 55.700 56.287 -0.043 0.000 0.932 410 K CB 1.017 33.492 32.500 -0.041 0.000 1.032 410 K HN 0.480 nan 8.250 nan 0.000 0.466 411 V N 3.717 123.592 119.914 -0.065 0.000 3.040 411 V HA 0.443 4.564 4.120 0.001 0.000 0.312 411 V C -0.587 175.451 176.094 -0.093 0.000 1.115 411 V CA -1.131 61.130 62.300 -0.065 0.000 0.998 411 V CB 2.067 33.859 31.823 -0.052 0.000 1.042 411 V HN 0.762 nan 8.190 nan 0.000 0.433 412 R N 2.207 122.652 120.500 -0.091 0.000 2.221 412 R HA 0.566 4.906 4.340 0.001 0.000 0.327 412 R C -0.898 175.311 176.300 -0.152 0.000 1.033 412 R CA -0.213 55.806 56.100 -0.136 0.000 0.887 412 R CB 0.749 30.963 30.300 -0.143 0.000 1.057 412 R HN 0.547 nan 8.270 nan 0.000 0.455 413 I N 4.145 124.614 120.570 -0.168 0.000 2.307 413 I HA 0.095 4.265 4.170 0.001 0.000 0.287 413 I C 0.089 176.075 176.117 -0.218 0.000 1.054 413 I CA -0.301 60.923 61.300 -0.126 0.000 1.218 413 I CB 1.010 38.981 38.000 -0.048 0.000 1.398 413 I HN 0.392 nan 8.210 nan 0.000 0.475 414 Q N 5.507 125.162 119.800 -0.241 0.000 2.377 414 Q HA 0.385 4.726 4.340 0.001 0.000 0.249 414 Q C 0.543 176.484 176.000 -0.098 0.000 1.005 414 Q CA -0.487 55.109 55.803 -0.346 0.000 0.912 414 Q CB 1.704 30.218 28.738 -0.374 0.000 1.223 414 Q HN 0.782 nan 8.270 nan 0.000 0.459 415 G N 2.915 111.665 108.800 -0.083 0.000 2.621 415 G HA2 0.127 4.088 3.960 0.001 0.000 0.271 415 G HA3 0.127 4.088 3.960 0.001 0.000 0.271 415 G C -1.715 173.236 174.900 0.084 0.000 1.236 415 G CA -1.185 43.930 45.100 0.024 0.000 0.958 415 G HN 0.349 nan 8.290 nan 0.000 0.512 416 P HA -0.144 nan 4.420 nan 0.000 0.216 416 P C 1.399 178.731 177.300 0.053 0.000 1.154 416 P CA 1.234 64.382 63.100 0.080 0.000 0.865 416 P CB 0.189 31.918 31.700 0.049 0.000 0.789 417 N N -2.768 115.958 118.700 0.044 0.000 2.398 417 N HA -0.052 4.688 4.740 0.001 0.000 0.188 417 N C 0.473 176.013 175.510 0.050 0.000 1.122 417 N CA 0.067 53.133 53.050 0.027 0.000 0.866 417 N CB -0.438 38.055 38.487 0.009 0.000 0.970 417 N HN 0.237 nan 8.380 nan 0.000 0.462 418 Y N 1.614 121.879 120.300 -0.058 0.000 2.578 418 Y HA 0.107 4.657 4.550 0.001 0.000 0.339 418 Y C -0.067 175.793 175.900 -0.067 0.000 1.231 418 Y CA 0.065 58.121 58.100 -0.074 0.000 1.461 418 Y CB 0.591 39.002 38.460 -0.081 0.000 1.323 418 Y HN -0.280 nan 8.280 nan 0.000 0.590 419 V N 8.203 127.526 119.914 -0.986 0.000 2.697 419 V HA 0.152 4.272 4.120 0.001 0.000 0.300 419 V C -1.887 173.530 176.094 -1.129 0.000 1.115 419 V CA -1.389 60.425 62.300 -0.810 0.000 0.912 419 V CB 1.823 33.424 31.823 -0.371 0.000 1.024 419 V HN 0.647 nan 8.190 nan 0.000 0.431 420 P HA -0.253 nan 4.420 nan 0.000 0.222 420 P C 1.587 178.677 177.300 -0.350 0.000 1.155 420 P CA 2.260 65.000 63.100 -0.599 0.000 0.890 420 P CB 0.263 31.641 31.700 -0.537 0.000 0.790 421 G N -0.475 108.142 108.800 -0.304 0.000 2.511 421 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 421 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 421 G C 0.769 175.592 174.900 -0.129 0.000 1.218 421 G CA 0.828 45.827 45.100 -0.168 0.000 0.788 421 G HN 0.289 nan 8.290 nan 0.000 0.560 422 K N -0.657 119.652 120.400 -0.152 0.000 2.488 422 K HA 0.403 4.724 4.320 0.001 0.000 0.255 422 K C 0.521 177.115 176.600 -0.010 0.000 1.036 422 K CA -0.486 55.757 56.287 -0.074 0.000 0.990 422 K CB 0.653 33.114 32.500 -0.065 0.000 1.304 422 K HN -0.090 nan 8.250 nan 0.000 0.505 423 K N 1.080 121.500 120.400 0.033 0.000 2.414 423 K HA 0.038 4.358 4.320 0.001 0.000 0.204 423 K C -0.586 176.053 176.600 0.064 0.000 1.026 423 K CA -0.050 56.287 56.287 0.084 0.000 1.108 423 K CB 0.356 32.885 32.500 0.048 0.000 0.855 423 K HN 0.527 nan 8.250 nan 0.000 0.517 424 D N 1.741 122.173 120.400 0.053 0.000 2.389 424 D HA -0.055 4.585 4.640 0.001 0.000 0.247 424 D C 0.241 176.552 176.300 0.020 0.000 1.128 424 D CA 0.626 54.638 54.000 0.019 0.000 0.884 424 D CB 0.600 41.404 40.800 0.007 0.000 1.194 424 D HN 0.038 nan 8.370 nan 0.000 0.441 425 D N 1.023 121.348 120.400 -0.126 0.000 2.800 425 D HA -0.199 4.442 4.640 0.001 0.000 0.232 425 D C -1.228 174.797 176.300 -0.458 0.000 1.137 425 D CA 0.373 54.209 54.000 -0.273 0.000 0.718 425 D CB -1.046 39.709 40.800 -0.075 0.000 1.084 425 D HN 0.350 nan 8.370 nan 0.000 0.432 426 L N -0.069 120.813 121.223 -0.569 0.000 2.342 426 L HA 0.742 5.082 4.340 0.001 0.000 0.271 426 L C -1.195 175.302 176.870 -0.623 0.000 1.008 426 L CA -0.612 53.896 54.840 -0.553 0.000 0.818 426 L CB 1.467 43.336 42.059 -0.317 0.000 1.296 426 L HN -0.096 nan 8.230 nan 0.000 0.427 427 F N 5.372 125.218 119.950 -0.173 0.000 3.094 427 F HA 0.408 4.936 4.527 0.001 0.000 0.385 427 F C -0.229 175.385 175.800 -0.310 0.000 1.231 427 F CA -0.921 56.949 58.000 -0.217 0.000 1.207 427 F CB 0.609 39.455 39.000 -0.257 0.000 1.703 427 F HN 0.236 nan 8.300 nan 0.000 0.610 428 I N 4.334 124.881 120.570 -0.038 0.000 2.577 428 I HA 0.025 4.195 4.170 0.001 0.000 0.299 428 I C 0.323 176.353 176.117 -0.146 0.000 1.157 428 I CA 0.448 61.689 61.300 -0.097 0.000 1.418 428 I CB -0.331 37.634 38.000 -0.057 0.000 1.467 428 I HN 0.236 nan 8.210 nan 0.000 0.624 429 K N 4.401 124.658 120.400 -0.238 0.000 2.331 429 K HA 0.805 5.125 4.320 0.001 0.000 0.238 429 K C -0.643 175.861 176.600 -0.160 0.000 1.058 429 K CA -0.960 55.165 56.287 -0.270 0.000 0.871 429 K CB 1.832 33.963 32.500 -0.615 0.000 1.292 429 K HN 0.366 nan 8.250 nan 0.000 0.470 430 A N 1.314 124.072 122.820 -0.103 0.000 2.292 430 A HA 0.487 4.808 4.320 0.001 0.000 0.319 430 A C -0.124 177.443 177.584 -0.028 0.000 1.206 430 A CA -0.664 51.342 52.037 -0.052 0.000 0.835 430 A CB 0.112 19.096 19.000 -0.027 0.000 1.164 430 A HN 0.498 nan 8.150 nan 0.000 0.505 431 I N 3.440 123.994 120.570 -0.026 0.000 2.471 431 I HA -0.024 4.146 4.170 0.001 0.000 0.294 431 I C 1.650 177.761 176.117 -0.011 0.000 1.123 431 I CA 0.580 61.872 61.300 -0.013 0.000 1.336 431 I CB 0.101 38.087 38.000 -0.023 0.000 1.430 431 I HN 0.893 nan 8.210 nan 0.000 0.533 432 Q N 5.846 125.648 119.800 0.004 0.000 2.045 432 Q HA -0.087 4.253 4.340 0.001 0.000 0.206 432 Q C 0.334 176.316 176.000 -0.030 0.000 0.991 432 Q CA 1.610 57.412 55.803 -0.003 0.000 0.851 432 Q CB 0.418 29.165 28.738 0.015 0.000 0.911 432 Q HN 0.574 nan 8.270 nan 0.000 0.418 433 R N -1.310 119.153 120.500 -0.062 0.000 2.629 433 R HA 0.404 4.745 4.340 0.001 0.000 0.266 433 R C -1.652 174.580 176.300 -0.113 0.000 1.051 433 R CA -0.454 55.596 56.100 -0.085 0.000 0.895 433 R CB 2.310 32.548 30.300 -0.104 0.000 1.246 433 R HN -0.113 nan 8.270 nan 0.000 0.459 434 V N 3.408 123.272 119.914 -0.084 0.000 2.398 434 V HA 0.541 4.662 4.120 0.001 0.000 0.286 434 V C -0.101 175.950 176.094 -0.072 0.000 1.026 434 V CA -0.615 61.639 62.300 -0.077 0.000 0.868 434 V CB 1.502 33.295 31.823 -0.050 0.000 0.982 434 V HN 0.572 nan 8.190 nan 0.000 0.443 435 V N 3.344 123.215 119.914 -0.073 0.000 3.007 435 V HA 0.667 4.788 4.120 0.001 0.000 0.311 435 V C -0.722 175.383 176.094 0.018 0.000 1.120 435 V CA -1.044 61.237 62.300 -0.031 0.000 0.980 435 V CB 2.142 33.934 31.823 -0.051 0.000 1.033 435 V HN 0.619 nan 8.190 nan 0.000 0.429 436 L N 3.762 125.012 121.223 0.046 0.000 2.305 436 L HA 0.448 4.788 4.340 0.001 0.000 0.281 436 L C 0.296 177.234 176.870 0.113 0.000 1.085 436 L CA -0.526 54.356 54.840 0.071 0.000 0.813 436 L CB 1.418 43.516 42.059 0.064 0.000 1.157 436 L HN 0.584 nan 8.230 nan 0.000 0.436 437 M N 4.812 124.499 119.600 0.145 0.000 3.436 437 M HA 0.153 4.633 4.480 0.001 0.000 0.240 437 M C -0.018 176.346 176.300 0.107 0.000 1.469 437 M CA 0.152 55.546 55.300 0.157 0.000 1.622 437 M CB -0.099 32.658 32.600 0.262 0.000 1.098 437 M HN 0.523 nan 8.290 nan 0.000 0.568 438 M N 1.286 120.949 119.600 0.104 0.000 3.705 438 M HA 0.159 4.639 4.480 0.001 0.000 0.191 438 M C 1.365 177.678 176.300 0.021 0.000 1.570 438 M CA 0.299 55.661 55.300 0.103 0.000 1.714 438 M CB -1.819 30.885 32.600 0.174 0.000 1.148 438 M HN 0.845 nan 8.290 nan 0.000 0.547 439 G N 2.013 110.792 108.800 -0.034 0.000 3.879 439 G HA2 -0.388 3.573 3.960 0.001 0.000 0.318 439 G HA3 -0.388 3.573 3.960 0.001 0.000 0.318 439 G C 1.163 175.905 174.900 -0.264 0.000 1.344 439 G CA 0.729 45.747 45.100 -0.137 0.000 1.024 439 G HN 0.505 nan 8.290 nan 0.000 0.681 440 R N -0.211 119.970 120.500 -0.533 0.000 2.307 440 R HA 0.461 4.801 4.340 0.001 0.000 0.200 440 R C 0.052 175.921 176.300 -0.720 0.000 0.893 440 R CA 0.098 55.753 56.100 -0.742 0.000 1.042 440 R CB 0.170 29.825 30.300 -1.076 0.000 1.059 440 R HN 0.308 nan 8.270 nan 0.000 0.530 441 F N -0.122 119.834 119.950 0.010 0.000 2.556 441 F HA 0.431 4.958 4.527 0.001 0.000 0.327 441 F C 0.033 175.866 175.800 0.055 0.000 1.059 441 F CA -1.689 56.327 58.000 0.026 0.000 0.953 441 F CB 1.207 40.219 39.000 0.021 0.000 1.227 441 F HN -0.333 nan 8.300 nan 0.000 0.478 442 V N -0.929 119.138 119.914 0.256 0.000 2.667 442 V HA 0.850 4.970 4.120 0.001 0.000 0.308 442 V C -1.153 175.030 176.094 0.149 0.000 1.048 442 V CA -0.636 61.779 62.300 0.191 0.000 0.928 442 V CB 1.788 33.747 31.823 0.227 0.000 1.004 442 V HN 0.752 nan 8.190 nan 0.000 0.444 443 E N 4.127 124.390 120.200 0.106 0.000 2.255 443 E HA 0.592 4.943 4.350 0.001 0.000 0.256 443 E C -2.932 173.692 176.600 0.039 0.000 0.887 443 E CA -2.259 54.184 56.400 0.072 0.000 0.782 443 E CB 2.136 31.880 29.700 0.074 0.000 1.214 443 E HN 0.655 nan 8.360 nan 0.000 0.417 444 P HA 0.054 nan 4.420 nan 0.000 0.264 444 P C -0.839 176.460 177.300 -0.003 0.000 1.183 444 P CA 0.104 63.203 63.100 -0.001 0.000 0.763 444 P CB 0.372 32.071 31.700 -0.002 0.000 0.807 445 I N 1.878 122.440 120.570 -0.014 0.000 2.692 445 I HA 0.239 4.410 4.170 0.001 0.000 0.293 445 I C 0.639 176.743 176.117 -0.022 0.000 1.200 445 I CA -0.460 60.831 61.300 -0.015 0.000 1.036 445 I CB 1.606 39.597 38.000 -0.014 0.000 1.258 445 I HN 0.231 nan 8.210 nan 0.000 0.421 446 D N 4.074 124.462 120.400 -0.021 0.000 2.137 446 D HA -0.136 4.504 4.640 0.001 0.000 0.193 446 D C -0.031 176.254 176.300 -0.026 0.000 0.993 446 D CA 1.997 55.983 54.000 -0.022 0.000 0.846 446 D CB 0.001 40.789 40.800 -0.020 0.000 0.990 446 D HN 0.792 nan 8.370 nan 0.000 0.448 447 D N -1.157 119.227 120.400 -0.027 0.000 2.553 447 D HA 0.373 5.014 4.640 0.001 0.000 0.249 447 D C -0.832 175.448 176.300 -0.033 0.000 1.062 447 D CA -0.699 53.283 54.000 -0.029 0.000 1.085 447 D CB 2.071 42.855 40.800 -0.027 0.000 1.350 447 D HN 0.200 nan 8.370 nan 0.000 0.575 448 C N 1.246 120.524 119.300 -0.036 0.000 2.833 448 C HA 0.448 4.908 4.460 0.001 0.000 0.383 448 C C -2.847 172.115 174.990 -0.046 0.000 1.058 448 C CA -0.907 58.085 59.018 -0.044 0.000 1.259 448 C CB 1.235 28.945 27.740 -0.049 0.000 1.726 448 C HN 0.478 nan 8.230 nan 0.000 0.484 449 P HA 0.341 nan 4.420 nan 0.000 0.276 449 P C -0.174 177.090 177.300 -0.060 0.000 1.244 449 P CA 0.176 63.248 63.100 -0.046 0.000 0.801 449 P CB 0.914 32.589 31.700 -0.042 0.000 1.006 450 A N 1.229 124.017 122.820 -0.053 0.000 2.587 450 A HA 0.347 4.667 4.320 0.001 0.000 0.233 450 A C 1.467 178.994 177.584 -0.095 0.000 1.049 450 A CA 1.126 53.121 52.037 -0.069 0.000 0.754 450 A CB -1.588 17.391 19.000 -0.035 0.000 0.977 450 A HN 0.926 nan 8.150 nan 0.000 0.509 451 G N 1.632 110.337 108.800 -0.159 0.000 2.201 451 G HA2 -0.189 3.771 3.960 0.001 0.000 0.212 451 G HA3 -0.189 3.771 3.960 0.001 0.000 0.212 451 G C -0.032 174.765 174.900 -0.173 0.000 0.994 451 G CA 0.302 45.303 45.100 -0.166 0.000 0.644 451 G HN 0.971 nan 8.290 nan 0.000 0.508 452 N N -0.449 118.150 118.700 -0.169 0.000 2.471 452 N HA 0.749 5.489 4.740 0.001 0.000 0.288 452 N C -0.777 174.621 175.510 -0.187 0.000 1.220 452 N CA -0.637 52.328 53.050 -0.142 0.000 0.893 452 N CB 1.197 39.628 38.487 -0.095 0.000 1.256 452 N HN 0.043 nan 8.380 nan 0.000 0.534 453 I N 1.475 121.954 120.570 -0.153 0.000 2.304 453 I HA 0.387 4.558 4.170 0.001 0.000 0.291 453 I C -0.568 175.456 176.117 -0.156 0.000 1.018 453 I CA -0.247 60.922 61.300 -0.218 0.000 1.260 453 I CB 0.417 38.328 38.000 -0.148 0.000 1.390 453 I HN 0.443 nan 8.210 nan 0.000 0.475 454 I N 4.850 125.296 120.570 -0.206 0.000 3.322 454 I HA 0.875 5.046 4.170 0.001 0.000 0.313 454 I C -0.159 175.917 176.117 -0.069 0.000 1.129 454 I CA -0.521 60.723 61.300 -0.093 0.000 0.963 454 I CB 2.354 40.307 38.000 -0.078 0.000 1.273 454 I HN 0.482 nan 8.210 nan 0.000 0.473 455 G N 3.267 112.076 108.800 0.015 0.000 2.482 455 G HA2 0.685 4.646 3.960 0.001 0.000 0.317 455 G HA3 0.685 4.646 3.960 0.001 0.000 0.317 455 G C -1.823 173.068 174.900 -0.016 0.000 1.241 455 G CA -0.575 44.564 45.100 0.066 0.000 0.967 455 G HN 0.564 nan 8.290 nan 0.000 0.482 456 L N 0.995 122.212 121.223 -0.011 0.000 2.362 456 L HA 0.630 4.971 4.340 0.001 0.000 0.271 456 L C -0.592 176.198 176.870 -0.134 0.000 1.002 456 L CA -1.248 53.555 54.840 -0.062 0.000 0.818 456 L CB 2.398 44.452 42.059 -0.008 0.000 1.298 456 L HN 0.173 nan 8.230 nan 0.000 0.420 457 V N 1.177 120.964 119.914 -0.213 0.000 2.409 457 V HA 0.691 4.812 4.120 0.001 0.000 0.291 457 V C 0.634 176.713 176.094 -0.026 0.000 1.020 457 V CA 0.105 62.242 62.300 -0.272 0.000 0.848 457 V CB 1.145 32.670 31.823 -0.497 0.000 0.990 457 V HN 1.060 nan 8.190 nan 0.000 0.430 458 G N 4.091 112.950 108.800 0.099 0.000 2.145 458 G HA2 -0.145 3.815 3.960 0.001 0.000 0.145 458 G HA3 -0.145 3.815 3.960 0.001 0.000 0.145 458 G C 0.188 175.246 174.900 0.264 0.000 1.017 458 G CA 0.112 45.303 45.100 0.152 0.000 0.682 458 G HN 0.624 nan 8.290 nan 0.000 0.504 459 I N 0.710 121.432 120.570 0.252 0.000 4.139 459 I HA 0.106 4.276 4.170 0.001 0.000 0.320 459 I C 2.268 178.511 176.117 0.210 0.000 1.290 459 I CA 0.748 62.283 61.300 0.393 0.000 1.253 459 I CB 0.094 38.248 38.000 0.256 0.000 1.122 459 I HN 0.202 nan 8.210 nan 0.000 0.421 460 D N 1.880 122.338 120.400 0.097 0.000 2.339 460 D HA -0.357 4.283 4.640 0.001 0.000 0.189 460 D C 1.701 177.893 176.300 -0.180 0.000 1.022 460 D CA 1.821 55.814 54.000 -0.011 0.000 0.884 460 D CB -0.700 40.135 40.800 0.058 0.000 0.916 460 D HN 0.514 nan 8.370 nan 0.000 0.453 461 Q N -0.592 118.950 119.800 -0.429 0.000 2.282 461 Q HA 0.090 4.430 4.340 0.001 0.000 0.205 461 Q C 0.314 175.846 176.000 -0.779 0.000 0.915 461 Q CA 0.200 55.625 55.803 -0.631 0.000 0.949 461 Q CB -0.106 28.172 28.738 -0.766 0.000 1.035 461 Q HN 0.409 nan 8.270 nan 0.000 0.484 462 F N -0.141 119.818 119.950 0.014 0.000 2.658 462 F HA 0.356 4.883 4.527 0.001 0.000 0.293 462 F C 0.541 176.474 175.800 0.221 0.000 0.986 462 F CA -0.263 57.835 58.000 0.164 0.000 1.182 462 F CB 0.793 39.904 39.000 0.185 0.000 0.965 462 F HN -0.103 nan 8.300 nan 0.000 0.659 463 L N 1.382 122.760 121.223 0.258 0.000 2.325 463 L HA 0.353 4.694 4.340 0.001 0.000 0.281 463 L C 0.745 177.619 176.870 0.006 0.000 1.004 463 L CA -0.427 54.499 54.840 0.142 0.000 0.823 463 L CB 2.203 44.327 42.059 0.107 0.000 1.236 463 L HN 0.110 nan 8.230 nan 0.000 0.415 464 L N 2.374 123.585 121.223 -0.019 0.000 2.005 464 L HA -0.157 4.184 4.340 0.001 0.000 0.207 464 L C 1.953 178.605 176.870 -0.362 0.000 1.072 464 L CA 1.651 56.379 54.840 -0.187 0.000 0.744 464 L CB -0.219 41.758 42.059 -0.137 0.000 0.895 464 L HN 0.658 nan 8.230 nan 0.000 0.433 465 K N -2.281 117.844 120.400 -0.458 0.000 2.890 465 K HA 0.159 4.480 4.320 0.001 0.000 0.202 465 K C 0.222 176.699 176.600 -0.205 0.000 1.592 465 K CA 0.426 56.471 56.287 -0.404 0.000 1.197 465 K CB 0.428 32.523 32.500 -0.676 0.000 1.913 465 K HN -0.039 nan 8.250 nan 0.000 0.550 466 T N 0.065 114.527 114.554 -0.154 0.000 2.940 466 T HA 0.797 5.147 4.350 0.001 0.000 0.288 466 T C -0.344 174.348 174.700 -0.013 0.000 1.033 466 T CA -0.210 61.857 62.100 -0.055 0.000 1.033 466 T CB 1.673 70.578 68.868 0.062 0.000 1.079 466 T HN 0.450 nan 8.240 nan 0.000 0.496 467 G N 0.359 109.084 108.800 -0.125 0.000 2.356 467 G HA2 0.513 4.474 3.960 0.001 0.000 0.294 467 G HA3 0.513 4.474 3.960 0.001 0.000 0.294 467 G C -1.468 173.368 174.900 -0.106 0.000 1.423 467 G CA -0.689 44.378 45.100 -0.056 0.000 0.806 467 G HN 0.705 nan 8.290 nan 0.000 0.527 468 T N 0.136 114.685 114.554 -0.009 0.000 2.863 468 T HA 0.659 5.010 4.350 0.001 0.000 0.285 468 T C -1.009 173.702 174.700 0.017 0.000 1.009 468 T CA -0.373 61.753 62.100 0.043 0.000 0.989 468 T CB 1.598 70.540 68.868 0.123 0.000 1.004 468 T HN 0.366 nan 8.240 nan 0.000 0.455 469 L N 3.370 124.615 121.223 0.037 0.000 2.356 469 L HA 0.709 5.049 4.340 0.001 0.000 0.277 469 L C 0.673 177.561 176.870 0.030 0.000 0.996 469 L CA -0.234 54.610 54.840 0.008 0.000 0.822 469 L CB 1.774 43.836 42.059 0.005 0.000 1.256 469 L HN 0.965 nan 8.230 nan 0.000 0.413 470 T N -2.110 112.446 114.554 0.003 0.000 2.669 470 T HA 0.644 4.994 4.350 0.001 0.000 0.283 470 T C 0.278 174.978 174.700 -0.000 0.000 1.019 470 T CA -0.113 62.001 62.100 0.025 0.000 1.039 470 T CB 1.853 70.754 68.868 0.055 0.000 1.374 470 T HN 0.323 nan 8.240 nan 0.000 0.523 471 T N 0.019 114.580 114.554 0.012 0.000 3.051 471 T HA 0.349 4.699 4.350 0.001 0.000 0.254 471 T C 0.736 175.443 174.700 0.012 0.000 0.916 471 T CA 0.093 62.194 62.100 0.001 0.000 0.894 471 T CB 0.257 69.125 68.868 0.001 0.000 1.251 471 T HN 0.685 nan 8.240 nan 0.000 0.517 472 S N 1.824 117.543 115.700 0.030 0.000 2.510 472 S HA 0.131 4.601 4.470 0.001 0.000 0.279 472 S C 1.080 175.712 174.600 0.054 0.000 1.284 472 S CA -0.168 58.058 58.200 0.042 0.000 1.059 472 S CB 1.015 64.249 63.200 0.058 0.000 0.901 472 S HN 0.407 nan 8.310 nan 0.000 0.491 473 E N 2.349 122.576 120.200 0.045 0.000 2.347 473 E HA -0.069 4.281 4.350 0.001 0.000 0.196 473 E C 0.909 177.550 176.600 0.068 0.000 1.008 473 E CA 1.112 57.543 56.400 0.053 0.000 0.852 473 E CB 0.151 29.872 29.700 0.035 0.000 0.783 473 E HN 0.804 nan 8.360 nan 0.000 0.505 474 T N -1.930 112.662 114.554 0.064 0.000 3.269 474 T HA 0.564 4.915 4.350 0.001 0.000 0.269 474 T C -0.059 174.703 174.700 0.102 0.000 0.993 474 T CA -0.355 61.777 62.100 0.053 0.000 0.909 474 T CB 0.943 69.848 68.868 0.060 0.000 1.115 474 T HN 0.092 nan 8.240 nan 0.000 0.543 475 A N 1.369 124.270 122.820 0.135 0.000 2.260 475 A HA 0.652 4.973 4.320 0.001 0.000 0.308 475 A C -0.308 177.413 177.584 0.228 0.000 1.254 475 A CA -0.637 51.551 52.037 0.252 0.000 0.874 475 A CB 0.178 19.308 19.000 0.217 0.000 1.153 475 A HN 0.634 nan 8.150 nan 0.000 0.527 476 H N 1.319 120.524 119.070 0.225 0.000 2.597 476 H HA 0.231 4.787 4.556 0.001 0.000 0.370 476 H C 0.536 175.894 175.328 0.051 0.000 1.281 476 H CA 0.236 56.276 56.048 -0.013 0.000 1.422 476 H CB 0.491 30.021 29.762 -0.387 0.000 1.524 476 H HN 0.671 nan 8.280 nan 0.000 0.607 477 N N 0.442 119.225 118.700 0.137 0.000 2.445 477 N HA 0.152 4.893 4.740 0.001 0.000 0.264 477 N C -0.274 175.284 175.510 0.080 0.000 1.227 477 N CA -0.107 53.033 53.050 0.150 0.000 0.963 477 N CB 0.708 39.283 38.487 0.147 0.000 1.188 477 N HN 0.407 nan 8.380 nan 0.000 0.491 478 M N 0.521 120.226 119.600 0.175 0.000 2.367 478 M HA 0.164 4.644 4.480 0.001 0.000 0.339 478 M C 0.378 176.769 176.300 0.152 0.000 1.177 478 M CA -0.894 54.499 55.300 0.154 0.000 1.068 478 M CB 0.856 33.590 32.600 0.222 0.000 1.602 478 M HN 0.284 nan 8.290 nan 0.000 0.457 479 K N 2.565 122.991 120.400 0.044 0.000 2.327 479 K HA -0.047 4.274 4.320 0.001 0.000 0.249 479 K C -0.720 175.990 176.600 0.184 0.000 1.244 479 K CA 0.113 56.432 56.287 0.054 0.000 1.253 479 K CB -0.934 31.555 32.500 -0.019 0.000 0.748 479 K HN 0.495 nan 8.250 nan 0.000 0.518 480 V N 2.520 122.529 119.914 0.160 0.000 2.924 480 V HA 0.330 4.450 4.120 0.001 0.000 0.305 480 V C 0.355 176.560 176.094 0.185 0.000 1.073 480 V CA -0.301 62.114 62.300 0.191 0.000 1.098 480 V CB 0.897 32.793 31.823 0.123 0.000 1.000 480 V HN 0.659 nan 8.190 nan 0.000 0.484 481 M N 3.577 123.309 119.600 0.219 0.000 2.078 481 M HA 0.440 4.920 4.480 0.001 0.000 0.320 481 M C -0.287 176.139 176.300 0.209 0.000 0.969 481 M CA -0.419 55.004 55.300 0.206 0.000 0.929 481 M CB 1.600 34.347 32.600 0.245 0.000 1.504 481 M HN 0.680 nan 8.290 nan 0.000 0.419 482 K N 3.760 124.236 120.400 0.127 0.000 2.447 482 K HA 0.260 4.581 4.320 0.001 0.000 0.281 482 K C -0.832 175.841 176.600 0.122 0.000 1.031 482 K CA 0.474 56.795 56.287 0.056 0.000 1.019 482 K CB 0.189 32.692 32.500 0.005 0.000 0.918 482 K HN 0.479 nan 8.250 nan 0.000 0.476 483 F N -1.008 118.963 119.950 0.035 0.000 2.613 483 F HA 0.575 5.102 4.527 0.001 0.000 0.314 483 F C -0.523 175.295 175.800 0.030 0.000 1.075 483 F CA -1.099 56.912 58.000 0.019 0.000 0.945 483 F CB 1.312 40.318 39.000 0.010 0.000 1.310 483 F HN 0.383 nan 8.300 nan 0.000 0.467 484 S N 0.833 116.624 115.700 0.152 0.000 2.600 484 S HA 0.658 5.129 4.470 0.001 0.000 0.300 484 S C -0.653 174.061 174.600 0.190 0.000 1.087 484 S CA -0.231 58.014 58.200 0.076 0.000 0.965 484 S CB 1.749 65.037 63.200 0.147 0.000 1.089 484 S HN 1.281 nan 8.310 nan 0.000 0.496 485 V N 0.947 120.937 119.914 0.126 0.000 3.477 485 V HA 0.295 4.415 4.120 0.001 0.000 0.297 485 V C 0.106 176.208 176.094 0.014 0.000 1.433 485 V CA -0.007 62.361 62.300 0.115 0.000 1.052 485 V CB 0.141 32.060 31.823 0.161 0.000 0.895 485 V HN 0.912 nan 8.190 nan 0.000 0.438 486 S N 3.839 119.501 115.700 -0.063 0.000 2.481 486 S HA 0.282 4.752 4.470 0.001 0.000 0.282 486 S C -2.457 171.998 174.600 -0.242 0.000 1.243 486 S CA -0.346 57.691 58.200 -0.272 0.000 1.078 486 S CB 0.867 63.594 63.200 -0.789 0.000 0.916 486 S HN 0.384 nan 8.310 nan 0.000 0.495 487 P HA 0.116 nan 4.420 nan 0.000 0.273 487 P C 0.601 177.822 177.300 -0.131 0.000 1.428 487 P CA -0.272 62.788 63.100 -0.066 0.000 0.995 487 P CB 0.274 31.972 31.700 -0.002 0.000 1.286 488 V N 1.843 121.655 119.914 -0.169 0.000 3.621 488 V HA 0.179 4.299 4.120 0.001 0.000 0.285 488 V C 0.389 176.426 176.094 -0.095 0.000 1.346 488 V CA 0.015 62.174 62.300 -0.234 0.000 1.104 488 V CB -0.248 31.327 31.823 -0.413 0.000 0.913 488 V HN 0.111 nan 8.190 nan 0.000 0.432 489 V N 0.902 120.821 119.914 0.007 0.000 2.888 489 V HA 0.748 4.869 4.120 0.001 0.000 0.309 489 V C -0.740 175.425 176.094 0.118 0.000 1.114 489 V CA -0.575 61.777 62.300 0.087 0.000 0.940 489 V CB 1.497 33.386 31.823 0.109 0.000 1.021 489 V HN 0.647 nan 8.190 nan 0.000 0.426 490 Q N 2.543 122.426 119.800 0.138 0.000 2.693 490 Q HA 0.959 5.300 4.340 0.001 0.000 0.306 490 Q C -1.339 174.723 176.000 0.102 0.000 0.969 490 Q CA -0.915 54.965 55.803 0.128 0.000 0.757 490 Q CB 2.923 31.759 28.738 0.162 0.000 1.494 490 Q HN 1.521 nan 8.270 nan 0.000 0.459 491 V N -5.139 114.811 119.914 0.061 0.000 3.304 491 V HA 0.929 5.049 4.120 0.001 0.000 0.287 491 V C -1.556 174.542 176.094 0.005 0.000 1.640 491 V CA -0.468 61.855 62.300 0.038 0.000 1.051 491 V CB 0.897 32.747 31.823 0.045 0.000 1.175 491 V HN 1.261 nan 8.190 nan 0.000 0.475 492 A N 0.006 122.839 122.820 0.022 0.000 2.346 492 A HA 1.007 5.327 4.320 0.001 0.000 0.313 492 A C -0.186 177.443 177.584 0.074 0.000 1.140 492 A CA -0.187 51.891 52.037 0.068 0.000 0.826 492 A CB 1.964 21.003 19.000 0.065 0.000 1.332 492 A HN 2.339 nan 8.150 nan 0.000 0.457 493 V N -1.351 118.629 119.914 0.110 0.000 2.939 493 V HA 0.330 4.450 4.120 0.001 0.000 0.320 493 V C -0.373 175.691 176.094 -0.050 0.000 1.101 493 V CA -0.670 61.631 62.300 0.002 0.000 1.345 493 V CB -0.078 31.708 31.823 -0.061 0.000 1.079 493 V HN 0.729 nan 8.190 nan 0.000 0.549 494 E N 1.601 121.843 120.200 0.071 0.000 2.410 494 E HA 0.453 4.804 4.350 0.001 0.000 0.255 494 E C 0.421 177.022 176.600 0.002 0.000 1.194 494 E CA 0.188 56.630 56.400 0.071 0.000 0.955 494 E CB 1.836 31.629 29.700 0.154 0.000 0.988 494 E HN 0.668 nan 8.360 nan 0.000 0.461 495 V N 0.415 120.327 119.914 -0.003 0.000 3.369 495 V HA 0.359 4.479 4.120 0.001 0.000 0.309 495 V C 1.002 177.101 176.094 0.009 0.000 1.069 495 V CA -0.612 61.685 62.300 -0.005 0.000 1.042 495 V CB 0.897 32.713 31.823 -0.013 0.000 1.192 495 V HN 0.537 nan 8.190 nan 0.000 0.447 496 K N 0.070 120.474 120.400 0.007 0.000 2.352 496 K HA 0.262 4.582 4.320 0.001 0.000 0.194 496 K C 0.580 177.185 176.600 0.008 0.000 1.038 496 K CA 0.506 56.799 56.287 0.009 0.000 1.023 496 K CB -0.116 32.389 32.500 0.008 0.000 0.840 496 K HN 0.875 nan 8.250 nan 0.000 0.519 497 N N -1.305 117.399 118.700 0.006 0.000 2.879 497 N HA 0.439 5.180 4.740 0.001 0.000 0.329 497 N C -0.011 175.502 175.510 0.006 0.000 1.337 497 N CA 0.038 53.091 53.050 0.005 0.000 0.844 497 N CB 1.471 39.960 38.487 0.004 0.000 1.236 497 N HN 0.006 nan 8.380 nan 0.000 0.601 498 A N -0.361 122.461 122.820 0.005 0.000 1.780 498 A HA 0.112 4.433 4.320 0.001 0.000 0.208 498 A C 1.419 179.005 177.584 0.003 0.000 1.761 498 A CA -0.067 51.974 52.037 0.006 0.000 1.183 498 A CB -0.429 18.576 19.000 0.008 0.000 1.162 498 A HN 0.634 nan 8.150 nan 0.000 0.472 499 N N 0.550 119.251 118.700 0.003 0.000 2.443 499 N HA -0.151 4.590 4.740 0.001 0.000 0.184 499 N C 0.095 175.604 175.510 -0.001 0.000 1.037 499 N CA 1.230 54.281 53.050 0.001 0.000 0.896 499 N CB -0.084 38.404 38.487 0.001 0.000 0.959 499 N HN 0.408 nan 8.380 nan 0.000 0.442 500 D N 0.532 120.931 120.400 -0.002 0.000 2.348 500 D HA -0.017 4.623 4.640 0.001 0.000 0.248 500 D C 1.719 178.012 176.300 -0.012 0.000 1.142 500 D CA -0.088 53.909 54.000 -0.005 0.000 0.904 500 D CB -0.027 40.771 40.800 -0.002 0.000 0.901 500 D HN 0.323 nan 8.370 nan 0.000 0.523 501 L N 0.217 121.433 121.223 -0.012 0.000 2.044 501 L HA 0.041 4.382 4.340 0.001 0.000 0.205 501 L C -0.863 175.992 176.870 -0.025 0.000 1.075 501 L CA 0.837 55.663 54.840 -0.022 0.000 0.747 501 L CB -0.850 41.204 42.059 -0.009 0.000 0.903 501 L HN -0.009 nan 8.230 nan 0.000 0.435 502 P HA -0.241 nan 4.420 nan 0.000 0.219 502 P C 0.910 178.199 177.300 -0.019 0.000 1.151 502 P CA 1.545 64.637 63.100 -0.013 0.000 0.850 502 P CB -0.104 31.591 31.700 -0.008 0.000 0.784 503 K N -1.559 118.829 120.400 -0.019 0.000 2.365 503 K HA -0.031 4.289 4.320 0.001 0.000 0.199 503 K C 1.843 178.422 176.600 -0.034 0.000 1.045 503 K CA 0.606 56.882 56.287 -0.018 0.000 0.962 503 K CB -0.874 31.620 32.500 -0.010 0.000 0.759 503 K HN 0.227 nan 8.250 nan 0.000 0.469 504 L N 0.716 121.905 121.223 -0.057 0.000 2.004 504 L HA -0.076 4.264 4.340 0.001 0.000 0.205 504 L C 2.047 178.858 176.870 -0.099 0.000 1.089 504 L CA 1.254 56.034 54.840 -0.100 0.000 0.756 504 L CB -0.746 41.224 42.059 -0.147 0.000 0.900 504 L HN -0.192 nan 8.230 nan 0.000 0.440 505 V N 0.216 120.083 119.914 -0.079 0.000 2.613 505 V HA -0.298 3.822 4.120 0.001 0.000 0.259 505 V C 2.557 178.627 176.094 -0.041 0.000 1.099 505 V CA 1.955 64.225 62.300 -0.050 0.000 1.115 505 V CB -0.842 30.971 31.823 -0.018 0.000 0.686 505 V HN 0.577 nan 8.190 nan 0.000 0.481 506 E N 0.630 120.807 120.200 -0.038 0.000 2.079 506 E HA 0.052 4.402 4.350 0.001 0.000 0.191 506 E C 2.286 178.869 176.600 -0.029 0.000 0.961 506 E CA 1.233 57.618 56.400 -0.024 0.000 0.823 506 E CB -0.789 28.903 29.700 -0.013 0.000 0.789 506 E HN 0.365 nan 8.360 nan 0.000 0.459 507 G N 1.170 109.948 108.800 -0.037 0.000 2.450 507 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 507 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 507 G C 1.587 176.383 174.900 -0.173 0.000 1.130 507 G CA 0.880 45.957 45.100 -0.038 0.000 0.760 507 G HN 0.276 nan 8.290 nan 0.000 0.557 508 L N -0.488 120.633 121.223 -0.169 0.000 2.046 508 L HA -0.033 4.307 4.340 0.001 0.000 0.208 508 L C 2.430 179.215 176.870 -0.141 0.000 1.077 508 L CA 1.090 55.812 54.840 -0.196 0.000 0.747 508 L CB -0.157 41.822 42.059 -0.134 0.000 0.896 508 L HN 0.060 nan 8.230 nan 0.000 0.432 509 K N -0.316 120.040 120.400 -0.073 0.000 2.505 509 K HA 0.022 4.343 4.320 0.001 0.000 0.192 509 K C 1.725 178.324 176.600 -0.003 0.000 1.025 509 K CA 0.454 56.724 56.287 -0.027 0.000 1.086 509 K CB -0.004 32.490 32.500 -0.011 0.000 0.840 509 K HN 0.215 nan 8.250 nan 0.000 0.514 510 R N -1.014 119.483 120.500 -0.005 0.000 2.167 510 R HA 0.138 4.479 4.340 0.001 0.000 0.201 510 R C 1.738 178.170 176.300 0.220 0.000 1.024 510 R CA 0.107 56.267 56.100 0.099 0.000 1.053 510 R CB -0.228 30.168 30.300 0.162 0.000 0.987 510 R HN 0.046 nan 8.270 nan 0.000 0.493 511 L N 1.233 122.442 121.223 -0.024 0.000 2.017 511 L HA -0.094 4.247 4.340 0.001 0.000 0.208 511 L C 1.824 178.737 176.870 0.073 0.000 1.073 511 L CA 1.915 56.707 54.840 -0.079 0.000 0.745 511 L CB -0.431 41.224 42.059 -0.674 0.000 0.894 511 L HN 0.007 nan 8.230 nan 0.000 0.432 512 S N -0.298 115.407 115.700 0.008 0.000 2.400 512 S HA -0.224 4.246 4.470 0.001 0.000 0.232 512 S C 1.849 176.495 174.600 0.076 0.000 1.025 512 S CA 1.672 59.896 58.200 0.040 0.000 0.993 512 S CB -0.456 62.758 63.200 0.024 0.000 0.808 512 S HN 0.519 nan 8.310 nan 0.000 0.478 513 K N 1.583 122.040 120.400 0.094 0.000 2.116 513 K HA 0.021 4.341 4.320 0.001 0.000 0.203 513 K C 2.494 179.217 176.600 0.205 0.000 1.052 513 K CA 1.298 57.656 56.287 0.119 0.000 0.952 513 K CB -0.231 32.324 32.500 0.092 0.000 0.729 513 K HN 0.503 nan 8.250 nan 0.000 0.446 514 S N 0.273 116.097 115.700 0.207 0.000 2.481 514 S HA -0.068 4.402 4.470 0.001 0.000 0.231 514 S C 0.446 175.274 174.600 0.381 0.000 0.996 514 S CA 0.460 58.805 58.200 0.242 0.000 0.942 514 S CB 0.040 63.324 63.200 0.140 0.000 0.768 514 S HN 0.129 nan 8.310 nan 0.000 0.520 515 D N 0.537 121.087 120.400 0.250 0.000 2.819 515 D HA 0.411 5.051 4.640 0.001 0.000 0.232 515 D C -2.635 173.696 176.300 0.053 0.000 1.160 515 D CA -2.045 52.059 54.000 0.173 0.000 0.858 515 D CB 2.383 43.285 40.800 0.171 0.000 1.610 515 D HN -0.173 nan 8.370 nan 0.000 0.481 516 P HA 0.142 nan 4.420 nan 0.000 0.222 516 P C 1.218 178.521 177.300 0.005 0.000 1.157 516 P CA 0.373 63.419 63.100 -0.090 0.000 0.816 516 P CB 0.445 32.015 31.700 -0.217 0.000 0.813 517 C N -1.368 117.968 119.300 0.059 0.000 2.485 517 C HA 0.154 4.614 4.460 0.001 0.000 0.277 517 C C 1.450 176.570 174.990 0.217 0.000 1.376 517 C CA -0.149 58.942 59.018 0.121 0.000 1.759 517 C CB -0.667 27.106 27.740 0.056 0.000 1.970 517 C HN 0.059 nan 8.230 nan 0.000 0.509 518 V N 1.965 122.015 119.914 0.227 0.000 2.686 518 V HA 0.479 4.600 4.120 0.001 0.000 0.295 518 V C -0.644 175.513 176.094 0.106 0.000 1.055 518 V CA -0.057 62.340 62.300 0.161 0.000 1.050 518 V CB 1.435 33.300 31.823 0.070 0.000 0.984 518 V HN 0.337 nan 8.190 nan 0.000 0.482 519 L N 6.387 127.676 121.223 0.111 0.000 2.404 519 L HA 0.667 5.008 4.340 0.001 0.000 0.272 519 L C -0.089 176.893 176.870 0.186 0.000 0.980 519 L CA 0.103 55.019 54.840 0.127 0.000 0.836 519 L CB 2.026 44.154 42.059 0.115 0.000 1.238 519 L HN 0.861 nan 8.230 nan 0.000 0.408 520 T N 1.876 116.521 114.554 0.151 0.000 2.824 520 T HA 0.811 5.161 4.350 0.001 0.000 0.280 520 T C -0.616 174.221 174.700 0.230 0.000 0.995 520 T CA -0.398 61.774 62.100 0.121 0.000 1.009 520 T CB 1.385 70.260 68.868 0.012 0.000 0.955 520 T HN 0.645 nan 8.240 nan 0.000 0.452 521 Y N 0.014 120.320 120.300 0.009 0.000 2.713 521 Y HA 0.714 5.265 4.550 0.001 0.000 0.335 521 Y C -1.730 174.182 175.900 0.019 0.000 1.222 521 Y CA -1.804 56.299 58.100 0.006 0.000 1.061 521 Y CB 1.305 39.762 38.460 -0.005 0.000 1.314 521 Y HN 0.513 nan 8.280 nan 0.000 0.453 522 M N 3.114 122.741 119.600 0.044 0.000 2.243 522 M HA 0.421 4.901 4.480 0.001 0.000 0.324 522 M C -0.517 175.800 176.300 0.029 0.000 1.031 522 M CA -0.775 54.498 55.300 -0.045 0.000 0.949 522 M CB 1.701 34.296 32.600 -0.007 0.000 1.615 522 M HN 0.868 nan 8.290 nan 0.000 0.430 523 S N 1.351 117.032 115.700 -0.031 0.000 2.601 523 S HA 0.310 4.780 4.470 0.001 0.000 0.271 523 S C 0.906 175.510 174.600 0.007 0.000 1.305 523 S CA -0.402 57.824 58.200 0.043 0.000 1.022 523 S CB 1.543 64.776 63.200 0.054 0.000 0.940 523 S HN 0.591 nan 8.310 nan 0.000 0.525 524 E N 1.948 122.152 120.200 0.006 0.000 2.136 524 E HA -0.188 4.162 4.350 0.001 0.000 0.208 524 E C 2.010 178.608 176.600 -0.003 0.000 1.035 524 E CA 2.126 58.520 56.400 -0.010 0.000 0.838 524 E CB -0.864 28.834 29.700 -0.004 0.000 0.748 524 E HN 0.890 nan 8.360 nan 0.000 0.459 525 S N -0.734 114.975 115.700 0.015 0.000 2.711 525 S HA 0.048 4.518 4.470 0.001 0.000 0.237 525 S C 1.428 176.012 174.600 -0.027 0.000 0.971 525 S CA 0.813 59.023 58.200 0.017 0.000 0.964 525 S CB -0.777 62.463 63.200 0.068 0.000 0.775 525 S HN 0.451 nan 8.310 nan 0.000 0.540 526 G N 0.345 109.118 108.800 -0.045 0.000 2.179 526 G HA2 -0.235 3.725 3.960 0.001 0.000 0.257 526 G HA3 -0.235 3.725 3.960 0.001 0.000 0.257 526 G C -0.209 174.588 174.900 -0.171 0.000 1.010 526 G CA 0.237 45.288 45.100 -0.081 0.000 0.736 526 G HN 0.598 nan 8.290 nan 0.000 0.513 527 E N 0.550 120.648 120.200 -0.170 0.000 2.331 527 E HA 0.347 4.698 4.350 0.001 0.000 0.272 527 E C 0.229 176.651 176.600 -0.297 0.000 1.036 527 E CA -0.279 55.957 56.400 -0.274 0.000 0.864 527 E CB 0.431 30.048 29.700 -0.138 0.000 1.035 527 E HN 0.713 nan 8.360 nan 0.000 0.408 528 H N 1.080 120.076 119.070 -0.124 0.000 2.489 528 H HA 0.456 5.013 4.556 0.001 0.000 0.322 528 H C -0.354 174.827 175.328 -0.246 0.000 1.091 528 H CA -0.631 55.313 56.048 -0.173 0.000 1.291 528 H CB 0.440 30.132 29.762 -0.117 0.000 1.436 528 H HN 0.191 nan 8.280 nan 0.000 0.480 529 I N 2.088 122.481 120.570 -0.296 0.000 2.846 529 I HA 0.384 4.554 4.170 0.001 0.000 0.307 529 I C -0.459 175.546 176.117 -0.187 0.000 1.053 529 I CA -0.984 60.094 61.300 -0.370 0.000 1.050 529 I CB 2.281 39.726 38.000 -0.925 0.000 1.239 529 I HN 0.454 nan 8.210 nan 0.000 0.439 530 V N 3.514 123.392 119.914 -0.060 0.000 2.670 530 V HA 0.547 4.668 4.120 0.001 0.000 0.258 530 V C -0.011 176.120 176.094 0.063 0.000 0.906 530 V CA -0.631 61.673 62.300 0.007 0.000 0.887 530 V CB 0.969 32.775 31.823 -0.028 0.000 1.059 530 V HN 0.879 nan 8.190 nan 0.000 0.484 531 A N 1.902 124.807 122.820 0.141 0.000 2.388 531 A HA 0.866 5.187 4.320 0.001 0.000 0.257 531 A C 0.687 178.353 177.584 0.138 0.000 1.095 531 A CA 0.639 52.767 52.037 0.151 0.000 0.791 531 A CB 0.876 19.993 19.000 0.195 0.000 1.029 531 A HN 0.930 nan 8.150 nan 0.000 0.489 532 G N -0.477 108.419 108.800 0.159 0.000 3.105 532 G HA2 0.476 4.437 3.960 0.001 0.000 0.277 532 G HA3 0.476 4.437 3.960 0.001 0.000 0.277 532 G C 0.493 175.560 174.900 0.279 0.000 1.375 532 G CA 0.444 45.730 45.100 0.311 0.000 0.962 532 G HN 0.540 nan 8.290 nan 0.000 0.541 533 T N -0.636 114.132 114.554 0.356 0.000 2.851 533 T HA 0.342 4.693 4.350 0.001 0.000 0.262 533 T C 1.000 175.809 174.700 0.183 0.000 1.043 533 T CA 1.267 63.433 62.100 0.111 0.000 1.140 533 T CB -0.121 68.671 68.868 -0.126 0.000 0.872 533 T HN 1.062 nan 8.240 nan 0.000 0.446 534 G N -0.411 108.501 108.800 0.186 0.000 2.649 534 G HA2 0.459 4.420 3.960 0.001 0.000 0.290 534 G HA3 0.459 4.420 3.960 0.001 0.000 0.290 534 G C 0.170 175.103 174.900 0.055 0.000 1.426 534 G CA -0.218 44.959 45.100 0.128 0.000 0.794 534 G HN 0.032 nan 8.290 nan 0.000 0.483 535 E N -0.663 119.489 120.200 -0.080 0.000 2.082 535 E HA -0.330 4.021 4.350 0.001 0.000 0.215 535 E C 2.500 179.108 176.600 0.013 0.000 1.048 535 E CA 2.854 59.212 56.400 -0.071 0.000 0.869 535 E CB -0.297 29.293 29.700 -0.184 0.000 0.773 535 E HN 0.494 nan 8.360 nan 0.000 0.466 536 L N -0.588 120.624 121.223 -0.019 0.000 1.976 536 L HA -0.131 4.210 4.340 0.001 0.000 0.209 536 L C 2.616 179.527 176.870 0.068 0.000 1.071 536 L CA 2.555 57.387 54.840 -0.014 0.000 0.746 536 L CB -1.642 40.355 42.059 -0.104 0.000 0.890 536 L HN 0.211 nan 8.230 nan 0.000 0.432 537 H N -0.170 118.907 119.070 0.011 0.000 2.325 537 H HA -0.241 4.315 4.556 0.001 0.000 0.293 537 H C 1.976 177.339 175.328 0.058 0.000 1.106 537 H CA 2.548 58.628 56.048 0.054 0.000 1.247 537 H CB -0.339 29.458 29.762 0.057 0.000 1.359 537 H HN 0.364 nan 8.280 nan 0.000 0.488 538 L N 0.865 122.108 121.223 0.032 0.000 1.994 538 L HA -0.112 4.229 4.340 0.001 0.000 0.208 538 L C 2.146 179.006 176.870 -0.017 0.000 1.071 538 L CA 2.040 56.868 54.840 -0.019 0.000 0.745 538 L CB -0.794 41.306 42.059 0.067 0.000 0.892 538 L HN 0.425 nan 8.230 nan 0.000 0.431 539 E N -0.399 119.815 120.200 0.022 0.000 2.070 539 E HA -0.262 4.088 4.350 0.001 0.000 0.197 539 E C 2.176 178.785 176.600 0.016 0.000 1.004 539 E CA 1.600 58.016 56.400 0.027 0.000 0.805 539 E CB -0.215 29.504 29.700 0.031 0.000 0.744 539 E HN 0.426 nan 8.360 nan 0.000 0.451 540 I N 1.122 121.700 120.570 0.013 0.000 2.099 540 I HA -0.297 3.874 4.170 0.001 0.000 0.239 540 I C 2.581 178.693 176.117 -0.008 0.000 1.066 540 I CA 1.068 62.385 61.300 0.028 0.000 1.324 540 I CB -1.587 36.454 38.000 0.068 0.000 1.037 540 I HN 0.267 nan 8.210 nan 0.000 0.401 541 C N 0.874 120.129 119.300 -0.076 0.000 2.398 541 C HA -0.161 4.300 4.460 0.001 0.000 0.282 541 C C 2.945 177.916 174.990 -0.031 0.000 1.275 541 C CA 0.523 59.498 59.018 -0.072 0.000 1.797 541 C CB -1.475 26.165 27.740 -0.165 0.000 1.991 541 C HN 0.464 nan 8.230 nan 0.000 0.505 542 L N 0.621 121.831 121.223 -0.022 0.000 2.044 542 L HA -0.184 4.156 4.340 0.001 0.000 0.205 542 L C 2.903 179.783 176.870 0.017 0.000 1.075 542 L CA 1.909 56.746 54.840 -0.005 0.000 0.747 542 L CB -0.979 41.087 42.059 0.010 0.000 0.903 542 L HN 0.471 nan 8.230 nan 0.000 0.435 543 Q N 0.749 120.572 119.800 0.038 0.000 2.020 543 Q HA -0.261 4.080 4.340 0.001 0.000 0.202 543 Q C 1.565 177.540 176.000 -0.043 0.000 0.982 543 Q CA 2.356 58.210 55.803 0.084 0.000 0.838 543 Q CB -0.306 28.511 28.738 0.130 0.000 0.899 543 Q HN 0.384 nan 8.270 nan 0.000 0.423 544 D N 0.923 121.277 120.400 -0.077 0.000 2.133 544 D HA -0.185 4.455 4.640 0.001 0.000 0.195 544 D C 1.891 178.147 176.300 -0.073 0.000 0.997 544 D CA 1.394 55.295 54.000 -0.165 0.000 0.840 544 D CB -0.236 40.537 40.800 -0.045 0.000 0.947 544 D HN 0.251 nan 8.370 nan 0.000 0.452 545 L N 1.086 122.335 121.223 0.044 0.000 1.989 545 L HA -0.188 4.153 4.340 0.001 0.000 0.211 545 L C 1.698 178.568 176.870 -0.000 0.000 1.071 545 L CA 1.658 56.515 54.840 0.029 0.000 0.749 545 L CB -0.543 41.482 42.059 -0.058 0.000 0.890 545 L HN 0.075 nan 8.230 nan 0.000 0.431 546 E N -0.258 119.949 120.200 0.011 0.000 1.954 546 E HA -0.317 4.034 4.350 0.001 0.000 0.240 546 E C 1.952 178.585 176.600 0.054 0.000 0.886 546 E CA 1.737 58.176 56.400 0.066 0.000 1.118 546 E CB -1.126 28.684 29.700 0.183 0.000 0.804 546 E HN 0.717 nan 8.360 nan 0.000 0.604 547 H N 1.016 120.096 119.070 0.017 0.000 2.389 547 H HA -0.034 4.523 4.556 0.001 0.000 0.299 547 H C 1.292 176.625 175.328 0.007 0.000 1.081 547 H CA 1.558 57.612 56.048 0.010 0.000 1.345 547 H CB -0.304 29.460 29.762 0.003 0.000 1.393 547 H HN 0.187 nan 8.280 nan 0.000 0.520 548 D N 0.109 120.159 120.400 -0.584 0.000 2.234 548 D HA -0.074 4.566 4.640 0.001 0.000 0.205 548 D C 2.143 178.316 176.300 -0.211 0.000 0.962 548 D CA 0.675 54.465 54.000 -0.349 0.000 0.855 548 D CB -0.125 40.417 40.800 -0.429 0.000 0.951 548 D HN 0.501 nan 8.370 nan 0.000 0.500 549 H N -0.109 118.862 119.070 -0.165 0.000 2.320 549 H HA 0.245 4.802 4.556 0.001 0.000 0.309 549 H C 1.848 177.133 175.328 -0.073 0.000 1.057 549 H CA 1.275 57.261 56.048 -0.104 0.000 1.374 549 H CB 0.320 30.025 29.762 -0.096 0.000 1.421 549 H HN 0.071 nan 8.280 nan 0.000 0.532 550 A N -0.588 122.294 122.820 0.104 0.000 1.878 550 A HA 0.219 4.540 4.320 0.001 0.000 0.213 550 A C 2.002 179.601 177.584 0.026 0.000 1.192 550 A CA 1.768 53.831 52.037 0.043 0.000 0.619 550 A CB -0.342 18.667 19.000 0.015 0.000 0.837 550 A HN 0.583 nan 8.150 nan 0.000 0.446 551 G N -2.165 106.653 108.800 0.031 0.000 2.253 551 G HA2 -0.038 3.923 3.960 0.001 0.000 0.209 551 G HA3 -0.038 3.923 3.960 0.001 0.000 0.209 551 G C 0.427 175.359 174.900 0.053 0.000 0.997 551 G CA 0.544 45.667 45.100 0.037 0.000 0.640 551 G HN 1.871 nan 8.290 nan 0.000 0.496 552 V N -2.327 117.617 119.914 0.050 0.000 3.126 552 V HA 0.969 5.089 4.120 0.001 0.000 0.314 552 V C -2.696 173.435 176.094 0.062 0.000 1.138 552 V CA -2.507 59.822 62.300 0.047 0.000 1.034 552 V CB 2.004 33.840 31.823 0.022 0.000 1.075 552 V HN 0.064 nan 8.190 nan 0.000 0.442 553 P HA 0.525 nan 4.420 nan 0.000 0.274 553 P C -0.897 176.421 177.300 0.029 0.000 1.231 553 P CA -0.121 63.006 63.100 0.044 0.000 0.790 553 P CB 0.599 32.311 31.700 0.020 0.000 0.951 554 L N 0.359 121.601 121.223 0.031 0.000 2.194 554 L HA 0.617 4.958 4.340 0.001 0.000 0.248 554 L C 0.093 176.971 176.870 0.013 0.000 1.071 554 L CA -1.073 53.775 54.840 0.014 0.000 0.901 554 L CB 1.695 43.759 42.059 0.009 0.000 1.497 554 L HN 0.212 nan 8.230 nan 0.000 0.442 555 K N 1.495 121.899 120.400 0.008 0.000 2.323 555 K HA 0.701 5.022 4.320 0.001 0.000 0.259 555 K C -1.471 175.138 176.600 0.015 0.000 0.947 555 K CA -0.474 55.821 56.287 0.013 0.000 0.819 555 K CB 1.480 33.990 32.500 0.017 0.000 1.109 555 K HN 0.526 nan 8.250 nan 0.000 0.429 556 I N 0.246 120.827 120.570 0.018 0.000 2.846 556 I HA 0.601 4.771 4.170 0.001 0.000 0.307 556 I C -0.564 175.564 176.117 0.019 0.000 1.053 556 I CA -0.697 60.615 61.300 0.021 0.000 1.050 556 I CB 2.257 40.271 38.000 0.024 0.000 1.239 556 I HN 0.597 nan 8.210 nan 0.000 0.439 557 S N 1.660 117.371 115.700 0.019 0.000 2.632 557 S HA 0.791 5.262 4.470 0.001 0.000 0.289 557 S C -2.824 171.780 174.600 0.008 0.000 1.115 557 S CA -1.444 56.762 58.200 0.008 0.000 0.889 557 S CB 0.981 64.184 63.200 0.005 0.000 1.116 557 S HN 0.601 nan 8.310 nan 0.000 0.486 558 P HA 0.184 nan 4.420 nan 0.000 0.269 558 P C -2.648 174.646 177.300 -0.009 0.000 1.200 558 P CA -0.405 62.677 63.100 -0.029 0.000 0.779 558 P CB -0.727 30.940 31.700 -0.055 0.000 0.841 559 P HA 0.163 nan 4.420 nan 0.000 0.282 559 P C -0.847 176.480 177.300 0.044 0.000 1.262 559 P CA 0.099 63.239 63.100 0.068 0.000 0.773 559 P CB 0.630 32.431 31.700 0.169 0.000 0.879 560 V N 4.460 124.446 119.914 0.120 0.000 2.769 560 V HA 0.399 4.519 4.120 0.001 0.000 0.312 560 V C 0.155 176.357 176.094 0.180 0.000 1.058 560 V CA -0.744 61.642 62.300 0.144 0.000 0.952 560 V CB 2.419 34.330 31.823 0.146 0.000 1.019 560 V HN 0.187 nan 8.190 nan 0.000 0.445 561 V N 2.330 122.346 119.914 0.171 0.000 2.483 561 V HA 0.697 4.818 4.120 0.001 0.000 0.295 561 V C 0.432 176.505 176.094 -0.034 0.000 1.035 561 V CA -0.670 61.643 62.300 0.023 0.000 0.896 561 V CB 1.761 33.517 31.823 -0.113 0.000 0.986 561 V HN 1.020 nan 8.190 nan 0.000 0.447 562 A N 4.328 127.124 122.820 -0.040 0.000 2.362 562 A HA 0.665 4.986 4.320 0.001 0.000 0.276 562 A C -0.877 176.725 177.584 0.030 0.000 1.153 562 A CA 0.028 52.101 52.037 0.060 0.000 0.813 562 A CB -0.034 19.023 19.000 0.095 0.000 1.081 562 A HN 0.721 nan 8.150 nan 0.000 0.507 563 Y N 1.043 121.468 120.300 0.207 0.000 2.679 563 Y HA 0.769 5.320 4.550 0.001 0.000 0.331 563 Y C 0.585 176.482 175.900 -0.005 0.000 1.183 563 Y CA -0.515 57.737 58.100 0.255 0.000 1.290 563 Y CB 1.240 39.911 38.460 0.351 0.000 1.489 563 Y HN 0.637 nan 8.280 nan 0.000 0.583 564 R N 0.293 120.880 120.500 0.146 0.000 2.651 564 R HA 0.335 4.676 4.340 0.001 0.000 0.278 564 R C -1.754 174.567 176.300 0.035 0.000 1.010 564 R CA -0.911 55.099 56.100 -0.148 0.000 0.896 564 R CB 1.606 31.576 30.300 -0.549 0.000 1.211 564 R HN 0.581 nan 8.270 nan 0.000 0.456 565 E N 0.905 121.102 120.200 -0.005 0.000 2.156 565 E HA 0.448 4.798 4.350 0.001 0.000 0.279 565 E C -0.599 176.156 176.600 0.259 0.000 0.965 565 E CA -0.366 56.123 56.400 0.147 0.000 0.789 565 E CB 2.091 31.782 29.700 -0.015 0.000 1.098 565 E HN 0.405 nan 8.360 nan 0.000 0.397 566 T N 0.955 115.708 114.554 0.333 0.000 2.812 566 T HA 0.543 4.894 4.350 0.001 0.000 0.294 566 T C -1.303 173.381 174.700 -0.026 0.000 1.159 566 T CA -0.673 61.559 62.100 0.219 0.000 1.008 566 T CB 1.464 70.385 68.868 0.089 0.000 1.289 566 T HN 0.262 nan 8.240 nan 0.000 0.514 567 V N 0.773 120.602 119.914 -0.142 0.000 2.815 567 V HA 0.802 4.923 4.120 0.001 0.000 0.314 567 V C 0.427 176.444 176.094 -0.128 0.000 1.064 567 V CA -0.558 61.573 62.300 -0.281 0.000 0.952 567 V CB 1.697 33.301 31.823 -0.364 0.000 1.020 567 V HN 0.926 nan 8.190 nan 0.000 0.439 568 E N 1.510 121.633 120.200 -0.130 0.000 2.447 568 E HA 0.280 4.630 4.350 0.001 0.000 0.204 568 E C 0.638 177.194 176.600 -0.073 0.000 0.977 568 E CA 0.865 57.222 56.400 -0.073 0.000 0.950 568 E CB 0.570 30.235 29.700 -0.058 0.000 0.975 568 E HN 1.109 nan 8.360 nan 0.000 0.496 569 S N -1.736 113.903 115.700 -0.101 0.000 2.790 569 S HA 0.366 4.837 4.470 0.001 0.000 0.292 569 S C -0.605 173.932 174.600 -0.105 0.000 1.197 569 S CA -1.085 57.060 58.200 -0.091 0.000 0.851 569 S CB 1.231 64.381 63.200 -0.084 0.000 1.217 569 S HN 0.069 nan 8.310 nan 0.000 0.526 570 E N 0.642 120.784 120.200 -0.096 0.000 2.349 570 E HA 0.429 4.779 4.350 0.001 0.000 0.265 570 E C -0.662 175.870 176.600 -0.113 0.000 1.064 570 E CA -0.519 55.822 56.400 -0.098 0.000 0.886 570 E CB 0.808 30.454 29.700 -0.089 0.000 1.036 570 E HN 0.570 nan 8.360 nan 0.000 0.413 571 S N 2.174 117.807 115.700 -0.111 0.000 2.575 571 S HA -0.064 4.407 4.470 0.001 0.000 0.295 571 S C 1.158 175.666 174.600 -0.154 0.000 1.267 571 S CA -0.059 58.060 58.200 -0.134 0.000 1.074 571 S CB 0.851 63.992 63.200 -0.099 0.000 0.829 571 S HN 0.576 nan 8.310 nan 0.000 0.497 572 S N 2.669 118.246 115.700 -0.204 0.000 2.389 572 S HA -0.208 4.262 4.470 0.001 0.000 0.231 572 S C 0.880 175.365 174.600 -0.192 0.000 1.052 572 S CA 1.629 59.705 58.200 -0.208 0.000 1.053 572 S CB -0.296 62.733 63.200 -0.284 0.000 0.886 572 S HN 0.925 nan 8.310 nan 0.000 0.456 573 Q N -1.316 118.349 119.800 -0.226 0.000 2.590 573 Q HA 0.459 4.800 4.340 0.001 0.000 0.295 573 Q C -1.431 174.511 176.000 -0.096 0.000 0.973 573 Q CA -0.938 54.770 55.803 -0.157 0.000 0.768 573 Q CB 0.741 29.364 28.738 -0.193 0.000 1.479 573 Q HN -0.092 nan 8.270 nan 0.000 0.419 574 T N 1.373 115.927 114.554 0.000 0.000 2.908 574 T HA 0.331 4.682 4.350 0.001 0.000 0.301 574 T C -0.076 174.756 174.700 0.219 0.000 1.019 574 T CA 0.556 62.712 62.100 0.094 0.000 1.152 574 T CB 0.287 69.239 68.868 0.140 0.000 0.966 574 T HN 0.580 nan 8.240 nan 0.000 0.540 575 A N 3.334 126.276 122.820 0.204 0.000 2.309 575 A HA 0.708 5.028 4.320 0.001 0.000 0.298 575 A C -0.476 177.194 177.584 0.142 0.000 1.165 575 A CA -0.676 51.536 52.037 0.292 0.000 0.821 575 A CB 0.376 19.493 19.000 0.195 0.000 1.102 575 A HN 0.745 nan 8.150 nan 0.000 0.500 576 L N 1.636 122.801 121.223 -0.097 0.000 2.445 576 L HA 0.855 5.196 4.340 0.001 0.000 0.262 576 L C -0.572 175.972 176.870 -0.544 0.000 0.974 576 L CA 0.215 54.781 54.840 -0.458 0.000 0.822 576 L CB 2.257 43.985 42.059 -0.551 0.000 1.339 576 L HN 0.589 nan 8.230 nan 0.000 0.409 577 S N 1.960 117.415 115.700 -0.409 0.000 2.570 577 S HA 0.792 5.262 4.470 0.001 0.000 0.270 577 S C -1.733 172.718 174.600 -0.248 0.000 1.149 577 S CA -0.911 57.125 58.200 -0.273 0.000 0.837 577 S CB 2.055 65.171 63.200 -0.142 0.000 1.124 577 S HN 0.775 nan 8.310 nan 0.000 0.465 578 K N -0.459 119.839 120.400 -0.170 0.000 2.443 578 K HA 0.761 5.082 4.320 0.001 0.000 0.251 578 K C -0.215 176.338 176.600 -0.078 0.000 0.972 578 K CA -0.817 55.395 56.287 -0.125 0.000 0.833 578 K CB 1.435 33.867 32.500 -0.114 0.000 1.317 578 K HN 0.568 nan 8.250 nan 0.000 0.441 579 S N 0.261 115.932 115.700 -0.048 0.000 2.606 579 S HA 0.135 4.605 4.470 0.001 0.000 0.257 579 S C -1.780 172.800 174.600 -0.034 0.000 1.327 579 S CA -0.830 57.352 58.200 -0.029 0.000 0.984 579 S CB 0.388 63.587 63.200 -0.002 0.000 0.941 579 S HN 0.519 nan 8.310 nan 0.000 0.576 580 P HA -0.035 nan 4.420 nan 0.000 0.217 580 P C 1.197 178.468 177.300 -0.048 0.000 1.150 580 P CA 0.873 63.953 63.100 -0.033 0.000 0.832 580 P CB -0.097 31.591 31.700 -0.020 0.000 0.787 581 N N 0.092 118.771 118.700 -0.035 0.000 2.060 581 N HA -0.185 4.555 4.740 0.001 0.000 0.195 581 N C 0.620 176.025 175.510 -0.175 0.000 1.028 581 N CA 1.311 54.327 53.050 -0.057 0.000 0.861 581 N CB -0.359 38.154 38.487 0.043 0.000 1.029 581 N HN 0.144 nan 8.380 nan 0.000 0.428 582 K N -1.862 118.466 120.400 -0.120 0.000 3.395 582 K HA -0.145 4.176 4.320 0.001 0.000 0.293 582 K C -0.275 176.237 176.600 -0.146 0.000 1.344 582 K CA 0.418 56.619 56.287 -0.143 0.000 0.864 582 K CB -1.635 30.758 32.500 -0.179 0.000 1.483 582 K HN 0.398 nan 8.250 nan 0.000 0.497 583 H N -0.147 118.949 119.070 0.044 0.000 2.885 583 H HA 0.202 4.758 4.556 0.001 0.000 0.260 583 H C 0.056 175.422 175.328 0.063 0.000 0.985 583 H CA 0.261 56.357 56.048 0.080 0.000 1.210 583 H CB 0.555 30.439 29.762 0.204 0.000 1.466 583 H HN 0.316 nan 8.280 nan 0.000 0.493 584 N N 0.689 119.476 118.700 0.145 0.000 2.284 584 N HA 0.504 5.244 4.740 0.001 0.000 0.300 584 N C -0.706 174.806 175.510 0.003 0.000 1.047 584 N CA -0.584 52.516 53.050 0.083 0.000 0.821 584 N CB 2.308 40.840 38.487 0.075 0.000 1.337 584 N HN -0.055 nan 8.380 nan 0.000 0.482 585 R N 1.268 121.756 120.500 -0.020 0.000 2.744 585 R HA 0.635 4.975 4.340 0.001 0.000 0.279 585 R C -1.040 175.163 176.300 -0.163 0.000 0.977 585 R CA -0.724 55.281 56.100 -0.158 0.000 0.906 585 R CB 2.105 32.269 30.300 -0.226 0.000 1.197 585 R HN 0.427 nan 8.270 nan 0.000 0.463 586 I N 2.249 122.643 120.570 -0.293 0.000 2.499 586 I HA 0.342 4.513 4.170 0.001 0.000 0.288 586 I C -1.280 174.656 176.117 -0.302 0.000 1.048 586 I CA -0.794 60.402 61.300 -0.173 0.000 1.062 586 I CB 1.689 39.636 38.000 -0.088 0.000 1.238 586 I HN 0.485 nan 8.210 nan 0.000 0.426 587 Y N 7.041 127.316 120.300 -0.041 0.000 2.341 587 Y HA 0.693 5.243 4.550 0.001 0.000 0.338 587 Y C -0.316 175.558 175.900 -0.043 0.000 0.965 587 Y CA -0.893 57.186 58.100 -0.035 0.000 1.108 587 Y CB 1.689 40.131 38.460 -0.030 0.000 1.180 587 Y HN 0.370 nan 8.280 nan 0.000 0.458 588 L N 0.258 121.548 121.223 0.111 0.000 2.600 588 L HA 0.792 5.133 4.340 0.001 0.000 0.257 588 L C -1.561 175.335 176.870 0.043 0.000 1.048 588 L CA -1.404 53.462 54.840 0.043 0.000 0.869 588 L CB 2.262 44.323 42.059 0.004 0.000 1.482 588 L HN 0.436 nan 8.230 nan 0.000 0.408 589 K N 0.102 120.505 120.400 0.005 0.000 2.508 589 K HA 0.935 5.255 4.320 0.001 0.000 0.260 589 K C -1.621 174.971 176.600 -0.013 0.000 0.949 589 K CA -0.531 55.753 56.287 -0.006 0.000 0.834 589 K CB 2.482 34.964 32.500 -0.030 0.000 1.365 589 K HN 1.111 nan 8.250 nan 0.000 0.437 590 A N 1.992 124.804 122.820 -0.013 0.000 2.355 590 A HA 0.655 4.975 4.320 0.001 0.000 0.324 590 A C -1.313 176.244 177.584 -0.044 0.000 1.117 590 A CA -0.530 51.506 52.037 -0.003 0.000 0.785 590 A CB 1.028 20.052 19.000 0.040 0.000 1.254 590 A HN 0.812 nan 8.150 nan 0.000 0.453 591 E N 1.003 121.183 120.200 -0.033 0.000 2.413 591 E HA 0.631 4.981 4.350 0.001 0.000 0.277 591 E C -3.153 173.434 176.600 -0.023 0.000 0.958 591 E CA -2.175 54.192 56.400 -0.055 0.000 0.779 591 E CB 1.686 31.338 29.700 -0.079 0.000 1.278 591 E HN 0.274 nan 8.360 nan 0.000 0.456 592 P HA 0.180 nan 4.420 nan 0.000 0.272 592 P C -0.731 176.597 177.300 0.047 0.000 1.230 592 P CA -0.021 63.082 63.100 0.006 0.000 0.788 592 P CB 0.509 32.203 31.700 -0.010 0.000 0.949 593 I N 1.381 122.004 120.570 0.088 0.000 2.509 593 I HA 0.229 4.399 4.170 0.001 0.000 0.293 593 I C 0.117 176.309 176.117 0.126 0.000 1.020 593 I CA -0.855 60.535 61.300 0.151 0.000 1.088 593 I CB 1.486 39.592 38.000 0.176 0.000 1.267 593 I HN 0.163 nan 8.210 nan 0.000 0.430 594 D N 5.990 126.482 120.400 0.154 0.000 2.455 594 D HA -0.026 4.614 4.640 0.001 0.000 0.241 594 D C 0.986 177.348 176.300 0.103 0.000 1.138 594 D CA 0.013 54.088 54.000 0.125 0.000 0.877 594 D CB 1.416 42.310 40.800 0.156 0.000 1.187 594 D HN 0.506 nan 8.370 nan 0.000 0.451 595 E N 1.671 121.926 120.200 0.091 0.000 2.147 595 E HA -0.222 4.128 4.350 0.001 0.000 0.199 595 E C 1.495 178.144 176.600 0.082 0.000 1.005 595 E CA 1.167 57.620 56.400 0.088 0.000 0.810 595 E CB 0.257 30.007 29.700 0.084 0.000 0.736 595 E HN 0.422 nan 8.360 nan 0.000 0.460 596 E N -0.006 120.252 120.200 0.096 0.000 2.038 596 E HA -0.135 4.215 4.350 0.001 0.000 0.195 596 E C 2.322 178.925 176.600 0.005 0.000 1.000 596 E CA 1.026 57.493 56.400 0.112 0.000 0.803 596 E CB -0.410 29.418 29.700 0.214 0.000 0.750 596 E HN 0.162 nan 8.360 nan 0.000 0.448 597 V N 0.883 120.766 119.914 -0.052 0.000 2.343 597 V HA -0.230 3.890 4.120 0.001 0.000 0.247 597 V C 2.423 178.436 176.094 -0.135 0.000 1.051 597 V CA 1.879 64.026 62.300 -0.256 0.000 1.036 597 V CB -0.817 30.929 31.823 -0.129 0.000 0.654 597 V HN 0.121 nan 8.190 nan 0.000 0.451 598 S N 0.415 116.109 115.700 -0.010 0.000 2.359 598 S HA -0.165 4.306 4.470 0.001 0.000 0.224 598 S C 1.919 176.542 174.600 0.039 0.000 1.035 598 S CA 1.590 59.811 58.200 0.035 0.000 1.018 598 S CB -0.439 62.802 63.200 0.068 0.000 0.876 598 S HN 0.350 nan 8.310 nan 0.000 0.448 599 L N 1.623 122.874 121.223 0.046 0.000 2.046 599 L HA -0.041 4.300 4.340 0.001 0.000 0.208 599 L C 2.641 179.525 176.870 0.022 0.000 1.077 599 L CA 1.709 56.586 54.840 0.062 0.000 0.747 599 L CB -1.599 40.503 42.059 0.071 0.000 0.896 599 L HN 0.302 nan 8.230 nan 0.000 0.432 600 A N -0.370 122.423 122.820 -0.045 0.000 1.892 600 A HA -0.221 4.099 4.320 0.001 0.000 0.218 600 A C 2.339 179.885 177.584 -0.064 0.000 1.188 600 A CA 2.047 54.028 52.037 -0.092 0.000 0.631 600 A CB -0.742 18.029 19.000 -0.381 0.000 0.822 600 A HN 0.402 nan 8.150 nan 0.000 0.447 601 I N -0.846 119.693 120.570 -0.051 0.000 2.202 601 I HA -0.240 3.930 4.170 0.001 0.000 0.242 601 I C 2.478 178.593 176.117 -0.004 0.000 1.091 601 I CA 1.625 62.923 61.300 -0.003 0.000 1.368 601 I CB -0.502 37.557 38.000 0.098 0.000 1.058 601 I HN 0.405 nan 8.210 nan 0.000 0.410 602 E N 0.796 121.015 120.200 0.032 0.000 2.153 602 E HA -0.152 4.198 4.350 0.001 0.000 0.194 602 E C 0.764 177.388 176.600 0.040 0.000 0.988 602 E CA 0.796 57.228 56.400 0.053 0.000 0.811 602 E CB -0.003 29.763 29.700 0.109 0.000 0.746 602 E HN 0.424 nan 8.360 nan 0.000 0.466 603 N N -0.251 118.467 118.700 0.030 0.000 2.451 603 N HA 0.073 4.813 4.740 0.001 0.000 0.264 603 N C 0.540 176.057 175.510 0.011 0.000 1.167 603 N CA 0.673 53.739 53.050 0.026 0.000 0.898 603 N CB 1.073 39.581 38.487 0.035 0.000 1.176 603 N HN 0.235 nan 8.380 nan 0.000 0.507 604 G N 0.850 109.645 108.800 -0.008 0.000 2.238 604 G HA2 -0.344 3.616 3.960 0.001 0.000 0.270 604 G HA3 -0.344 3.616 3.960 0.001 0.000 0.270 604 G C 1.193 176.085 174.900 -0.014 0.000 0.977 604 G CA 0.569 45.657 45.100 -0.020 0.000 0.639 604 G HN 0.362 nan 8.290 nan 0.000 0.544 605 I N 0.907 121.479 120.570 0.002 0.000 2.076 605 I HA -0.048 4.123 4.170 0.001 0.000 0.237 605 I C 1.737 177.859 176.117 0.009 0.000 1.059 605 I CA 1.134 62.451 61.300 0.028 0.000 1.317 605 I CB -1.087 36.959 38.000 0.076 0.000 1.037 605 I HN 0.115 nan 8.210 nan 0.000 0.398 606 I N 3.210 123.761 120.570 -0.031 0.000 2.294 606 I HA 0.109 4.279 4.170 0.001 0.000 0.295 606 I C 0.299 176.380 176.117 -0.059 0.000 1.098 606 I CA 0.098 61.387 61.300 -0.019 0.000 1.277 606 I CB -0.741 37.237 38.000 -0.036 0.000 1.434 606 I HN 0.249 nan 8.210 nan 0.000 0.498 607 N N 8.569 127.230 118.700 -0.066 0.000 2.399 607 N HA 0.351 5.091 4.740 0.001 0.000 0.295 607 N C -2.053 173.309 175.510 -0.247 0.000 1.048 607 N CA -1.750 51.187 53.050 -0.188 0.000 0.886 607 N CB 2.929 41.361 38.487 -0.092 0.000 1.185 607 N HN 0.090 nan 8.380 nan 0.000 0.487 608 P HA 0.029 nan 4.420 nan 0.000 0.218 608 P C 0.555 177.826 177.300 -0.048 0.000 1.149 608 P CA 1.311 64.162 63.100 -0.415 0.000 0.817 608 P CB 0.379 31.753 31.700 -0.543 0.000 0.785 609 R N -1.246 119.217 120.500 -0.062 0.000 2.276 609 R HA 0.069 4.410 4.340 0.001 0.000 0.196 609 R C 0.521 176.843 176.300 0.036 0.000 0.961 609 R CA 0.096 56.198 56.100 0.003 0.000 1.024 609 R CB -0.448 29.846 30.300 -0.009 0.000 0.940 609 R HN 0.261 nan 8.270 nan 0.000 0.480 610 D N 1.383 121.805 120.400 0.037 0.000 2.349 610 D HA -0.080 4.560 4.640 0.001 0.000 0.239 610 D C -0.229 176.125 176.300 0.090 0.000 1.315 610 D CA 0.280 54.311 54.000 0.053 0.000 0.937 610 D CB 0.286 41.115 40.800 0.048 0.000 1.133 610 D HN -0.014 nan 8.370 nan 0.000 0.489 611 D N -0.821 119.616 120.400 0.062 0.000 2.317 611 D HA 0.025 4.665 4.640 0.001 0.000 0.252 611 D C 1.217 177.549 176.300 0.052 0.000 1.174 611 D CA -0.450 53.584 54.000 0.058 0.000 0.866 611 D CB 0.131 40.916 40.800 -0.024 0.000 1.127 611 D HN 0.315 nan 8.370 nan 0.000 0.467 612 F N 3.676 123.662 119.950 0.060 0.000 2.147 612 F HA -0.183 4.345 4.527 0.001 0.000 0.301 612 F C 1.606 177.443 175.800 0.060 0.000 1.084 612 F CA 0.942 58.985 58.000 0.071 0.000 1.268 612 F CB -0.365 38.681 39.000 0.077 0.000 1.009 612 F HN 0.231 nan 8.300 nan 0.000 0.486 613 K N 1.072 120.924 120.400 -0.913 0.000 2.025 613 K HA -0.021 4.299 4.320 0.001 0.000 0.207 613 K C 2.521 178.979 176.600 -0.237 0.000 1.049 613 K CA 1.186 57.085 56.287 -0.646 0.000 0.933 613 K CB -0.677 31.410 32.500 -0.690 0.000 0.714 613 K HN 0.432 nan 8.250 nan 0.000 0.438 614 A N 1.808 124.529 122.820 -0.167 0.000 1.877 614 A HA -0.190 4.131 4.320 0.001 0.000 0.216 614 A C 2.195 179.766 177.584 -0.022 0.000 1.186 614 A CA 1.497 53.492 52.037 -0.070 0.000 0.620 614 A CB -0.532 18.441 19.000 -0.044 0.000 0.822 614 A HN 0.247 nan 8.150 nan 0.000 0.443 615 R N -0.330 120.170 120.500 0.001 0.000 2.091 615 R HA -0.161 4.180 4.340 0.001 0.000 0.238 615 R C 2.264 178.582 176.300 0.030 0.000 1.136 615 R CA 1.603 57.726 56.100 0.038 0.000 0.959 615 R CB -0.424 29.927 30.300 0.086 0.000 0.856 615 R HN 0.450 nan 8.270 nan 0.000 0.437 616 A N 0.777 123.614 122.820 0.028 0.000 1.902 616 A HA -0.182 4.138 4.320 0.001 0.000 0.217 616 A C 2.153 179.769 177.584 0.052 0.000 1.181 616 A CA 1.503 53.570 52.037 0.051 0.000 0.623 616 A CB -0.486 18.559 19.000 0.075 0.000 0.818 616 A HN 0.270 nan 8.150 nan 0.000 0.443 617 R N 0.194 120.707 120.500 0.021 0.000 2.091 617 R HA -0.101 4.240 4.340 0.001 0.000 0.238 617 R C 1.843 178.171 176.300 0.046 0.000 1.136 617 R CA 1.722 57.837 56.100 0.025 0.000 0.959 617 R CB -0.557 29.741 30.300 -0.003 0.000 0.856 617 R HN 0.529 nan 8.270 nan 0.000 0.437 618 I N 0.064 120.666 120.570 0.054 0.000 2.142 618 I HA -0.299 3.872 4.170 0.001 0.000 0.240 618 I C 2.295 178.517 176.117 0.175 0.000 1.078 618 I CA 1.670 63.026 61.300 0.093 0.000 1.343 618 I CB -0.933 37.135 38.000 0.114 0.000 1.046 618 I HN 0.274 nan 8.210 nan 0.000 0.405 619 M N 0.329 120.022 119.600 0.156 0.000 2.159 619 M HA -0.179 4.301 4.480 0.001 0.000 0.263 619 M C 2.462 178.912 176.300 0.251 0.000 1.063 619 M CA 1.949 57.353 55.300 0.173 0.000 1.110 619 M CB -0.389 32.091 32.600 -0.199 0.000 1.374 619 M HN 0.297 nan 8.290 nan 0.000 0.411 620 A N 0.580 123.515 122.820 0.193 0.000 1.841 620 A HA -0.174 4.147 4.320 0.001 0.000 0.214 620 A C 1.644 179.303 177.584 0.126 0.000 1.195 620 A CA 2.049 54.200 52.037 0.191 0.000 0.611 620 A CB -0.782 18.298 19.000 0.134 0.000 0.835 620 A HN 0.349 nan 8.150 nan 0.000 0.443 621 D N 0.549 120.991 120.400 0.068 0.000 2.096 621 D HA -0.113 4.528 4.640 0.001 0.000 0.200 621 D C 1.301 177.572 176.300 -0.049 0.000 0.980 621 D CA 1.567 55.573 54.000 0.011 0.000 0.860 621 D CB -0.558 40.236 40.800 -0.010 0.000 1.005 621 D HN 0.402 nan 8.370 nan 0.000 0.449 622 D N -0.998 119.311 120.400 -0.153 0.000 2.350 622 D HA -0.105 4.535 4.640 0.001 0.000 0.216 622 D C 0.716 176.610 176.300 -0.677 0.000 0.968 622 D CA 0.677 54.405 54.000 -0.453 0.000 0.894 622 D CB 0.028 40.419 40.800 -0.682 0.000 0.909 622 D HN 0.398 nan 8.370 nan 0.000 0.520 623 Y N -0.643 119.703 120.300 0.076 0.000 2.626 623 Y HA 0.337 4.887 4.550 0.001 0.000 0.248 623 Y C 1.343 177.378 175.900 0.225 0.000 1.147 623 Y CA -0.503 57.672 58.100 0.125 0.000 1.219 623 Y CB 0.694 39.199 38.460 0.076 0.000 1.279 623 Y HN -0.085 nan 8.280 nan 0.000 0.541 624 G N 0.460 109.416 108.800 0.260 0.000 2.350 624 G HA2 -0.306 3.655 3.960 0.001 0.000 0.298 624 G HA3 -0.306 3.655 3.960 0.001 0.000 0.298 624 G C -0.588 174.488 174.900 0.293 0.000 1.037 624 G CA -0.062 45.169 45.100 0.220 0.000 1.074 624 G HN 0.322 nan 8.290 nan 0.000 0.511 625 W N -0.300 121.046 121.300 0.077 0.000 2.706 625 W HA 0.552 5.213 4.660 0.001 0.000 0.346 625 W C -0.219 176.325 176.519 0.041 0.000 1.071 625 W CA -0.871 56.509 57.345 0.059 0.000 1.206 625 W CB 1.310 30.816 29.460 0.076 0.000 1.413 625 W HN 0.120 nan 8.180 nan 0.000 0.542 626 D N 1.971 122.454 120.400 0.140 0.000 2.358 626 D HA -0.017 4.624 4.640 0.001 0.000 0.258 626 D C 1.269 177.678 176.300 0.183 0.000 1.223 626 D CA 0.251 54.313 54.000 0.102 0.000 0.886 626 D CB 1.638 42.444 40.800 0.010 0.000 1.120 626 D HN 0.232 nan 8.370 nan 0.000 0.482 627 V N 3.716 123.723 119.914 0.155 0.000 2.636 627 V HA -0.297 3.824 4.120 0.001 0.000 0.258 627 V C 2.164 178.349 176.094 0.152 0.000 1.092 627 V CA 2.755 65.147 62.300 0.153 0.000 1.110 627 V CB -0.492 31.392 31.823 0.101 0.000 0.685 627 V HN 0.781 nan 8.190 nan 0.000 0.481 628 T N -2.950 111.677 114.554 0.121 0.000 2.668 628 T HA -0.186 4.165 4.350 0.001 0.000 0.262 628 T C 1.691 176.466 174.700 0.124 0.000 1.045 628 T CA 1.403 63.564 62.100 0.102 0.000 1.152 628 T CB -0.606 68.295 68.868 0.055 0.000 0.864 628 T HN 0.492 nan 8.240 nan 0.000 0.419 629 D N 2.227 122.700 120.400 0.122 0.000 2.092 629 D HA -0.040 4.601 4.640 0.001 0.000 0.193 629 D C 2.576 179.048 176.300 0.287 0.000 0.994 629 D CA 1.660 55.746 54.000 0.144 0.000 0.828 629 D CB -0.820 40.007 40.800 0.045 0.000 0.963 629 D HN 0.563 nan 8.370 nan 0.000 0.450 630 A N 1.077 124.146 122.820 0.416 0.000 1.948 630 A HA -0.222 4.098 4.320 0.001 0.000 0.220 630 A C 2.136 179.855 177.584 0.225 0.000 1.177 630 A CA 1.420 53.645 52.037 0.313 0.000 0.636 630 A CB -0.553 18.596 19.000 0.248 0.000 0.815 630 A HN 0.159 nan 8.150 nan 0.000 0.449 631 R N -0.823 119.825 120.500 0.247 0.000 2.280 631 R HA 0.016 4.357 4.340 0.001 0.000 0.207 631 R C 0.667 177.119 176.300 0.254 0.000 1.043 631 R CA 0.721 57.030 56.100 0.348 0.000 1.006 631 R CB 0.049 30.561 30.300 0.352 0.000 0.885 631 R HN 0.231 nan 8.270 nan 0.000 0.467 632 K N 0.793 121.295 120.400 0.170 0.000 2.446 632 K HA 0.198 4.518 4.320 0.001 0.000 0.203 632 K C 0.143 176.808 176.600 0.108 0.000 1.027 632 K CA 0.010 56.361 56.287 0.106 0.000 1.166 632 K CB 0.373 32.888 32.500 0.025 0.000 0.869 632 K HN 0.172 nan 8.250 nan 0.000 0.504 633 I N 0.809 121.458 120.570 0.131 0.000 2.598 633 I HA -0.125 4.046 4.170 0.001 0.000 0.284 633 I C 0.895 177.156 176.117 0.239 0.000 1.140 633 I CA -0.035 61.312 61.300 0.078 0.000 1.420 633 I CB 0.359 38.335 38.000 -0.039 0.000 1.387 633 I HN 0.124 nan 8.210 nan 0.000 0.553 634 W N 6.281 127.520 121.300 -0.101 0.000 2.630 634 W HA 0.152 4.812 4.660 0.001 0.000 0.271 634 W C 0.753 177.258 176.519 -0.022 0.000 1.244 634 W CA -0.239 57.066 57.345 -0.068 0.000 1.353 634 W CB 0.075 29.479 29.460 -0.092 0.000 1.080 634 W HN 0.710 nan 8.180 nan 0.000 0.594 635 C N -3.362 116.042 119.300 0.174 0.000 3.176 635 C HA 0.596 5.056 4.460 0.001 0.000 0.343 635 C C -0.677 174.423 174.990 0.183 0.000 1.332 635 C CA -1.831 57.321 59.018 0.224 0.000 1.200 635 C CB 0.194 28.086 27.740 0.254 0.000 1.440 635 C HN -0.071 nan 8.230 nan 0.000 0.458 636 F N 0.720 120.795 119.950 0.208 0.000 2.585 636 F HA 0.914 5.442 4.527 0.001 0.000 0.350 636 F C 1.051 177.026 175.800 0.293 0.000 1.074 636 F CA 0.606 58.747 58.000 0.235 0.000 1.032 636 F CB 2.458 41.530 39.000 0.121 0.000 1.330 636 F HN 1.235 nan 8.300 nan 0.000 0.495 637 G N 0.538 109.591 108.800 0.422 0.000 2.579 637 G HA2 0.543 4.504 3.960 0.001 0.000 0.292 637 G HA3 0.543 4.504 3.960 0.001 0.000 0.292 637 G C -3.410 171.501 174.900 0.018 0.000 1.484 637 G CA -1.153 44.029 45.100 0.138 0.000 0.813 637 G HN 0.207 nan 8.290 nan 0.000 0.515 638 P HA 0.291 nan 4.420 nan 0.000 0.307 638 P C -0.418 176.880 177.300 -0.004 0.000 1.306 638 P CA -0.194 62.871 63.100 -0.059 0.000 0.742 638 P CB 0.445 32.090 31.700 -0.091 0.000 1.349 639 D N -1.411 118.982 120.400 -0.012 0.000 2.792 639 D HA -0.203 4.437 4.640 0.001 0.000 0.231 639 D C 0.965 177.279 176.300 0.023 0.000 1.160 639 D CA 1.686 55.682 54.000 -0.006 0.000 0.697 639 D CB -1.779 39.003 40.800 -0.030 0.000 1.070 639 D HN 0.849 nan 8.370 nan 0.000 0.426 640 G N 1.106 109.949 108.800 0.071 0.000 2.200 640 G HA2 -0.383 3.577 3.960 0.001 0.000 0.267 640 G HA3 -0.383 3.577 3.960 0.001 0.000 0.267 640 G C 0.553 175.507 174.900 0.090 0.000 0.993 640 G CA 1.240 46.407 45.100 0.112 0.000 0.701 640 G HN 0.745 nan 8.290 nan 0.000 0.524 641 N N -1.608 117.128 118.700 0.059 0.000 2.127 641 N HA 0.338 5.079 4.740 0.001 0.000 0.229 641 N C 0.773 176.292 175.510 0.015 0.000 1.374 641 N CA 0.643 53.655 53.050 -0.064 0.000 0.763 641 N CB -0.275 38.132 38.487 -0.134 0.000 1.269 641 N HN 0.682 nan 8.380 nan 0.000 0.516 642 G N 0.954 109.822 108.800 0.114 0.000 2.599 642 G HA2 0.363 4.323 3.960 0.001 0.000 0.264 642 G HA3 0.363 4.323 3.960 0.001 0.000 0.264 642 G C -2.138 172.882 174.900 0.200 0.000 1.200 642 G CA -1.326 43.832 45.100 0.098 0.000 0.896 642 G HN 0.079 nan 8.290 nan 0.000 0.536 643 P HA 0.093 nan 4.420 nan 0.000 0.231 643 P C -1.023 176.364 177.300 0.145 0.000 1.756 643 P CA -0.037 63.149 63.100 0.145 0.000 0.990 643 P CB -0.461 31.281 31.700 0.071 0.000 1.973 644 N N 0.464 119.296 118.700 0.220 0.000 2.405 644 N HA 0.545 5.286 4.740 0.001 0.000 0.274 644 N C -0.993 174.703 175.510 0.310 0.000 1.170 644 N CA -0.655 52.549 53.050 0.256 0.000 0.848 644 N CB 1.705 40.320 38.487 0.212 0.000 1.629 644 N HN -0.041 nan 8.380 nan 0.000 0.481 645 L N 0.183 121.544 121.223 0.231 0.000 2.327 645 L HA 0.812 5.153 4.340 0.001 0.000 0.258 645 L C -1.080 175.638 176.870 -0.252 0.000 1.024 645 L CA -1.222 53.591 54.840 -0.046 0.000 0.825 645 L CB 2.159 44.105 42.059 -0.189 0.000 1.386 645 L HN 0.175 nan 8.230 nan 0.000 0.417 646 V N 2.799 122.456 119.914 -0.427 0.000 2.443 646 V HA 0.451 4.571 4.120 0.001 0.000 0.293 646 V C -0.596 175.332 176.094 -0.276 0.000 1.021 646 V CA -0.376 61.617 62.300 -0.511 0.000 0.848 646 V CB 2.035 33.448 31.823 -0.682 0.000 0.998 646 V HN 0.366 nan 8.190 nan 0.000 0.424 647 I N 3.539 123.960 120.570 -0.249 0.000 2.354 647 I HA 0.319 4.489 4.170 0.001 0.000 0.292 647 I C 0.015 175.908 176.117 -0.373 0.000 0.989 647 I CA -0.533 60.641 61.300 -0.209 0.000 1.188 647 I CB 1.635 39.589 38.000 -0.077 0.000 1.342 647 I HN 0.653 nan 8.210 nan 0.000 0.457 648 D N 6.062 126.150 120.400 -0.519 0.000 2.435 648 D HA 0.103 4.744 4.640 0.001 0.000 0.230 648 D C 0.464 176.572 176.300 -0.320 0.000 1.215 648 D CA 0.154 53.763 54.000 -0.652 0.000 0.947 648 D CB 0.526 40.788 40.800 -0.897 0.000 1.048 648 D HN 0.440 nan 8.370 nan 0.000 0.512 649 Q N 1.854 121.501 119.800 -0.255 0.000 2.246 649 Q HA 0.078 4.418 4.340 0.001 0.000 0.202 649 Q C 0.622 176.544 176.000 -0.129 0.000 0.883 649 Q CA -0.131 55.579 55.803 -0.156 0.000 0.952 649 Q CB 0.347 29.005 28.738 -0.133 0.000 1.078 649 Q HN 0.605 nan 8.270 nan 0.000 0.493 650 T N -0.812 113.652 114.554 -0.150 0.000 2.734 650 T HA 0.179 4.529 4.350 0.001 0.000 0.314 650 T C 0.029 174.692 174.700 -0.061 0.000 1.057 650 T CA -0.287 61.756 62.100 -0.095 0.000 1.047 650 T CB 0.938 69.758 68.868 -0.080 0.000 0.991 650 T HN -0.023 nan 8.240 nan 0.000 0.540 651 K N 0.905 121.279 120.400 -0.044 0.000 2.578 651 K HA 0.566 4.886 4.320 0.001 0.000 0.250 651 K C -0.109 176.478 176.600 -0.023 0.000 0.955 651 K CA -0.460 55.808 56.287 -0.032 0.000 0.825 651 K CB 1.683 34.159 32.500 -0.040 0.000 1.151 651 K HN 1.033 nan 8.250 nan 0.000 0.432 652 A N 1.367 124.180 122.820 -0.011 0.000 2.739 652 A HA -0.133 4.188 4.320 0.001 0.000 0.296 652 A C -0.193 177.384 177.584 -0.011 0.000 1.488 652 A CA 0.345 52.375 52.037 -0.012 0.000 0.746 652 A CB -1.830 17.157 19.000 -0.021 0.000 1.047 652 A HN 0.328 nan 8.150 nan 0.000 0.477 653 V N 2.062 121.982 119.914 0.009 0.000 2.320 653 V HA 0.247 4.367 4.120 0.001 0.000 0.265 653 V C 0.813 176.918 176.094 0.018 0.000 1.048 653 V CA 0.445 62.758 62.300 0.022 0.000 0.865 653 V CB 1.165 33.018 31.823 0.050 0.000 1.043 653 V HN 0.803 nan 8.190 nan 0.000 0.474 654 Q N 4.177 123.941 119.800 -0.059 0.000 2.349 654 Q HA -0.025 4.315 4.340 0.001 0.000 0.287 654 Q C 0.010 175.946 176.000 -0.107 0.000 1.044 654 Q CA 0.324 56.005 55.803 -0.204 0.000 0.918 654 Q CB 0.158 28.625 28.738 -0.452 0.000 1.242 654 Q HN 0.723 nan 8.270 nan 0.000 0.405 655 Y N 0.259 120.589 120.300 0.050 0.000 4.929 655 Y HA -0.345 4.206 4.550 0.001 0.000 0.253 655 Y C 0.815 176.619 175.900 -0.160 0.000 0.946 655 Y CA 0.677 58.721 58.100 -0.092 0.000 1.905 655 Y CB -2.058 36.359 38.460 -0.071 0.000 1.400 655 Y HN 0.707 nan 8.280 nan 0.000 0.531 656 L N 1.621 122.933 121.223 0.149 0.000 2.030 656 L HA -0.292 4.048 4.340 0.001 0.000 0.222 656 L C 2.950 179.927 176.870 0.178 0.000 1.082 656 L CA 2.949 57.908 54.840 0.197 0.000 0.785 656 L CB -0.831 41.382 42.059 0.257 0.000 0.895 656 L HN 0.643 nan 8.230 nan 0.000 0.439 657 H N -1.000 118.164 119.070 0.157 0.000 2.457 657 H HA -0.142 4.415 4.556 0.001 0.000 0.297 657 H C 1.563 176.889 175.328 -0.003 0.000 1.092 657 H CA 1.530 57.599 56.048 0.035 0.000 1.309 657 H CB -0.720 29.047 29.762 0.007 0.000 1.382 657 H HN 0.597 nan 8.280 nan 0.000 0.535 658 E N 1.106 121.007 120.200 -0.499 0.000 2.409 658 E HA -0.020 4.330 4.350 0.001 0.000 0.198 658 E C 1.941 178.473 176.600 -0.113 0.000 1.024 658 E CA 1.056 57.287 56.400 -0.282 0.000 0.861 658 E CB 0.037 29.555 29.700 -0.302 0.000 0.788 658 E HN 0.780 nan 8.360 nan 0.000 0.521 659 I N -2.694 117.847 120.570 -0.049 0.000 4.082 659 I HA 0.180 4.350 4.170 0.001 0.000 0.337 659 I C 1.965 178.094 176.117 0.021 0.000 1.352 659 I CA -0.298 61.010 61.300 0.013 0.000 1.097 659 I CB 0.240 38.284 38.000 0.073 0.000 1.048 659 I HN -0.188 nan 8.210 nan 0.000 0.393 660 K N 2.097 122.436 120.400 -0.101 0.000 2.020 660 K HA -0.231 4.090 4.320 0.001 0.000 0.212 660 K C 1.484 177.958 176.600 -0.210 0.000 1.050 660 K CA 2.651 58.706 56.287 -0.387 0.000 0.929 660 K CB -0.083 31.950 32.500 -0.778 0.000 0.714 660 K HN 0.347 nan 8.250 nan 0.000 0.443 661 D N 0.066 120.379 120.400 -0.144 0.000 2.133 661 D HA -0.137 4.504 4.640 0.001 0.000 0.195 661 D C 2.030 178.331 176.300 0.003 0.000 0.997 661 D CA 1.307 55.267 54.000 -0.068 0.000 0.840 661 D CB -0.322 40.447 40.800 -0.051 0.000 0.947 661 D HN 0.185 nan 8.370 nan 0.000 0.452 662 S N 0.133 115.844 115.700 0.018 0.000 2.348 662 S HA -0.108 4.363 4.470 0.001 0.000 0.221 662 S C 2.413 177.073 174.600 0.100 0.000 1.033 662 S CA 0.714 58.947 58.200 0.056 0.000 1.010 662 S CB -0.376 62.852 63.200 0.047 0.000 0.891 662 S HN 0.087 nan 8.310 nan 0.000 0.442 663 V N 1.716 121.708 119.914 0.131 0.000 2.324 663 V HA -0.183 3.938 4.120 0.001 0.000 0.250 663 V C 2.324 178.551 176.094 0.221 0.000 1.060 663 V CA 1.628 64.049 62.300 0.202 0.000 1.042 663 V CB -0.841 31.214 31.823 0.388 0.000 0.650 663 V HN 0.329 nan 8.190 nan 0.000 0.450 664 V N 0.095 120.122 119.914 0.189 0.000 2.307 664 V HA -0.245 3.876 4.120 0.001 0.000 0.245 664 V C 2.724 178.956 176.094 0.230 0.000 1.045 664 V CA 1.976 64.405 62.300 0.214 0.000 1.024 664 V CB -1.190 30.703 31.823 0.117 0.000 0.651 664 V HN 0.564 nan 8.190 nan 0.000 0.449 665 A N 0.121 123.036 122.820 0.158 0.000 1.917 665 A HA -0.225 4.095 4.320 0.001 0.000 0.219 665 A C 2.423 180.135 177.584 0.212 0.000 1.182 665 A CA 2.483 54.612 52.037 0.153 0.000 0.633 665 A CB -0.885 18.181 19.000 0.111 0.000 0.819 665 A HN 0.606 nan 8.150 nan 0.000 0.448 666 A N -1.519 121.423 122.820 0.203 0.000 1.902 666 A HA -0.034 4.287 4.320 0.001 0.000 0.217 666 A C 2.037 179.740 177.584 0.199 0.000 1.181 666 A CA 1.642 53.787 52.037 0.181 0.000 0.623 666 A CB -0.698 18.352 19.000 0.083 0.000 0.818 666 A HN 0.617 nan 8.150 nan 0.000 0.443 667 F N 0.686 120.679 119.950 0.072 0.000 2.134 667 F HA -0.191 4.337 4.527 0.001 0.000 0.299 667 F C 2.490 178.349 175.800 0.098 0.000 1.097 667 F CA 1.966 60.005 58.000 0.065 0.000 1.264 667 F CB -0.277 38.777 39.000 0.090 0.000 1.001 667 F HN 0.197 nan 8.300 nan 0.000 0.479 668 Q N -0.470 119.421 119.800 0.153 0.000 2.112 668 Q HA -0.269 4.072 4.340 0.001 0.000 0.206 668 Q C 2.055 178.091 176.000 0.060 0.000 0.987 668 Q CA 1.899 57.732 55.803 0.049 0.000 0.858 668 Q CB -1.400 27.401 28.738 0.106 0.000 0.905 668 Q HN 0.659 nan 8.270 nan 0.000 0.420 669 W N 1.079 122.323 121.300 -0.094 0.000 2.381 669 W HA -0.064 4.596 4.660 0.001 0.000 0.321 669 W C 2.285 178.718 176.519 -0.142 0.000 1.196 669 W CA 1.940 59.224 57.345 -0.103 0.000 1.304 669 W CB -1.109 28.305 29.460 -0.077 0.000 1.166 669 W HN 0.125 nan 8.180 nan 0.000 0.473 670 A N 0.347 123.108 122.820 -0.098 0.000 1.958 670 A HA -0.304 4.016 4.320 0.001 0.000 0.221 670 A C 2.016 179.513 177.584 -0.144 0.000 1.178 670 A CA 3.685 55.593 52.037 -0.216 0.000 0.642 670 A CB -1.525 17.325 19.000 -0.249 0.000 0.816 670 A HN 0.495 nan 8.150 nan 0.000 0.453 671 T N -3.773 110.596 114.554 -0.309 0.000 3.043 671 T HA 0.054 4.404 4.350 0.001 0.000 0.263 671 T C 1.772 176.355 174.700 -0.195 0.000 1.094 671 T CA 1.011 62.905 62.100 -0.343 0.000 1.127 671 T CB 0.001 68.521 68.868 -0.581 0.000 0.905 671 T HN 0.273 nan 8.240 nan 0.000 0.490 672 K N 1.499 121.843 120.400 -0.094 0.000 2.062 672 K HA 0.151 4.471 4.320 0.001 0.000 0.205 672 K C 0.525 177.084 176.600 -0.068 0.000 1.051 672 K CA 0.940 57.186 56.287 -0.069 0.000 0.941 672 K CB 0.116 32.603 32.500 -0.021 0.000 0.719 672 K HN 0.591 nan 8.250 nan 0.000 0.440 673 E N 0.321 120.525 120.200 0.007 0.000 2.460 673 E HA 0.266 4.617 4.350 0.001 0.000 0.249 673 E C -0.312 176.240 176.600 -0.080 0.000 0.962 673 E CA -0.442 55.936 56.400 -0.037 0.000 0.787 673 E CB 1.493 31.232 29.700 0.064 0.000 1.341 673 E HN 0.128 nan 8.360 nan 0.000 0.407 674 G N 2.677 111.309 108.800 -0.279 0.000 2.653 674 G HA2 0.124 4.085 3.960 0.001 0.000 0.265 674 G HA3 0.124 4.085 3.960 0.001 0.000 0.265 674 G C -1.478 173.008 174.900 -0.690 0.000 1.237 674 G CA -0.751 44.026 45.100 -0.537 0.000 0.946 674 G HN 0.297 nan 8.290 nan 0.000 0.522 675 P HA 0.119 nan 4.420 nan 0.000 0.261 675 P C 1.465 178.601 177.300 -0.273 0.000 1.268 675 P CA -0.032 62.573 63.100 -0.824 0.000 0.833 675 P CB 0.418 31.404 31.700 -1.189 0.000 1.231 676 I N 0.255 120.739 120.570 -0.143 0.000 2.277 676 I HA -0.038 4.133 4.170 0.001 0.000 0.243 676 I C 1.555 177.870 176.117 0.331 0.000 1.094 676 I CA 1.599 62.993 61.300 0.157 0.000 1.393 676 I CB -1.044 37.164 38.000 0.346 0.000 1.078 676 I HN 0.049 nan 8.210 nan 0.000 0.417 677 F N -1.613 118.270 119.950 -0.112 0.000 2.426 677 F HA 0.518 5.045 4.527 0.001 0.000 0.376 677 F C 0.617 176.356 175.800 -0.102 0.000 1.348 677 F CA -0.097 57.863 58.000 -0.067 0.000 1.022 677 F CB -0.424 38.571 39.000 -0.008 0.000 1.740 677 F HN 0.080 nan 8.300 nan 0.000 0.472 678 G N -0.030 108.605 108.800 -0.274 0.000 2.189 678 G HA2 -0.257 3.704 3.960 0.001 0.000 0.267 678 G HA3 -0.257 3.704 3.960 0.001 0.000 0.267 678 G C 0.160 174.817 174.900 -0.405 0.000 0.975 678 G CA 0.566 45.472 45.100 -0.322 0.000 0.644 678 G HN 0.516 nan 8.290 nan 0.000 0.537 679 E N 0.672 120.507 120.200 -0.608 0.000 2.314 679 E HA 0.352 4.703 4.350 0.001 0.000 0.262 679 E C 0.682 177.090 176.600 -0.320 0.000 1.093 679 E CA -0.462 55.637 56.400 -0.502 0.000 0.908 679 E CB 0.484 29.762 29.700 -0.704 0.000 1.091 679 E HN 0.555 nan 8.360 nan 0.000 0.425 680 E N 0.991 121.042 120.200 -0.248 0.000 2.373 680 E HA 0.072 4.423 4.350 0.001 0.000 0.267 680 E C -0.028 176.436 176.600 -0.227 0.000 1.032 680 E CA 0.106 56.372 56.400 -0.223 0.000 0.889 680 E CB 0.731 30.303 29.700 -0.213 0.000 0.984 680 E HN 0.236 nan 8.360 nan 0.000 0.425 681 M N 2.213 121.690 119.600 -0.205 0.000 2.288 681 M HA 0.295 4.775 4.480 0.001 0.000 0.334 681 M C 0.069 176.291 176.300 -0.130 0.000 1.150 681 M CA 0.143 55.359 55.300 -0.140 0.000 1.118 681 M CB 1.087 33.613 32.600 -0.122 0.000 1.501 681 M HN 0.313 nan 8.290 nan 0.000 0.462 682 R N 0.292 120.745 120.500 -0.078 0.000 2.548 682 R HA 0.317 4.657 4.340 0.001 0.000 0.280 682 R C -0.806 175.491 176.300 -0.005 0.000 1.061 682 R CA -0.119 55.918 56.100 -0.105 0.000 0.915 682 R CB 1.325 31.453 30.300 -0.288 0.000 1.210 682 R HN 0.814 nan 8.270 nan 0.000 0.442 683 S N 0.615 116.335 115.700 0.033 0.000 3.749 683 S HA -0.129 4.342 4.470 0.001 0.000 0.348 683 S C -0.391 174.272 174.600 0.104 0.000 1.045 683 S CA 0.734 58.979 58.200 0.074 0.000 1.051 683 S CB -1.515 61.720 63.200 0.059 0.000 0.898 683 S HN 0.361 nan 8.310 nan 0.000 0.472 684 V N 1.431 121.430 119.914 0.143 0.000 2.398 684 V HA 0.623 4.744 4.120 0.001 0.000 0.286 684 V C 0.343 176.564 176.094 0.211 0.000 1.026 684 V CA -0.678 61.732 62.300 0.184 0.000 0.868 684 V CB 1.787 33.770 31.823 0.267 0.000 0.982 684 V HN 0.457 nan 8.190 nan 0.000 0.443 685 R N 4.458 125.047 120.500 0.149 0.000 2.338 685 R HA 0.686 5.026 4.340 0.001 0.000 0.317 685 R C -1.583 174.760 176.300 0.071 0.000 0.968 685 R CA -0.240 55.929 56.100 0.116 0.000 0.849 685 R CB 1.653 31.999 30.300 0.077 0.000 1.128 685 R HN 0.449 nan 8.270 nan 0.000 0.448 686 V N 5.211 125.134 119.914 0.016 0.000 2.407 686 V HA 0.387 4.508 4.120 0.001 0.000 0.291 686 V C -0.823 175.196 176.094 -0.124 0.000 1.018 686 V CA -0.876 61.402 62.300 -0.036 0.000 0.842 686 V CB 1.633 33.429 31.823 -0.045 0.000 0.996 686 V HN 0.879 nan 8.190 nan 0.000 0.426 687 N N 4.495 123.132 118.700 -0.104 0.000 2.444 687 N HA 0.545 5.285 4.740 0.001 0.000 0.262 687 N C -0.799 174.627 175.510 -0.140 0.000 0.974 687 N CA -0.589 52.377 53.050 -0.140 0.000 0.933 687 N CB 1.592 40.005 38.487 -0.123 0.000 1.137 687 N HN 0.492 nan 8.380 nan 0.000 0.498 688 I N 3.217 123.660 120.570 -0.211 0.000 2.406 688 I HA 0.020 4.191 4.170 0.001 0.000 0.293 688 I C 1.096 177.129 176.117 -0.141 0.000 1.101 688 I CA 0.303 61.490 61.300 -0.189 0.000 1.334 688 I CB 0.219 38.025 38.000 -0.324 0.000 1.421 688 I HN 0.605 nan 8.210 nan 0.000 0.513 689 L N 3.394 124.582 121.223 -0.059 0.000 2.102 689 L HA 0.131 4.471 4.340 0.001 0.000 0.202 689 L C 0.511 177.358 176.870 -0.039 0.000 1.076 689 L CA 0.918 55.727 54.840 -0.050 0.000 0.761 689 L CB -0.074 41.971 42.059 -0.023 0.000 0.921 689 L HN 0.551 nan 8.230 nan 0.000 0.444 690 D N -1.822 118.609 120.400 0.051 0.000 2.609 690 D HA 0.531 5.172 4.640 0.001 0.000 0.239 690 D C -1.465 174.977 176.300 0.238 0.000 1.229 690 D CA -0.211 53.831 54.000 0.070 0.000 0.808 690 D CB 2.974 43.694 40.800 -0.133 0.000 1.448 690 D HN -0.306 nan 8.370 nan 0.000 0.433 691 V N 0.934 120.952 119.914 0.175 0.000 2.851 691 V HA 0.615 4.735 4.120 0.001 0.000 0.307 691 V C -0.578 175.607 176.094 0.153 0.000 1.129 691 V CA -0.807 61.591 62.300 0.163 0.000 0.932 691 V CB 2.108 33.987 31.823 0.094 0.000 1.024 691 V HN 0.765 nan 8.190 nan 0.000 0.426 692 T N 2.812 117.457 114.554 0.152 0.000 2.847 692 T HA 0.826 5.176 4.350 0.001 0.000 0.291 692 T C -0.984 173.784 174.700 0.112 0.000 0.998 692 T CA -0.545 61.633 62.100 0.129 0.000 0.967 692 T CB 0.992 69.949 68.868 0.149 0.000 0.954 692 T HN 0.383 nan 8.240 nan 0.000 0.441 693 L N 2.748 124.044 121.223 0.121 0.000 2.346 693 L HA 0.503 4.844 4.340 0.001 0.000 0.274 693 L C 0.397 177.347 176.870 0.133 0.000 1.007 693 L CA -1.403 53.517 54.840 0.134 0.000 0.818 693 L CB 1.805 43.957 42.059 0.155 0.000 1.284 693 L HN 0.790 nan 8.230 nan 0.000 0.424 694 H N 1.028 120.105 119.070 0.012 0.000 2.948 694 H HA 0.036 4.593 4.556 0.001 0.000 0.351 694 H C 0.973 176.265 175.328 -0.060 0.000 1.079 694 H CA 0.692 56.698 56.048 -0.071 0.000 1.407 694 H CB 1.464 31.151 29.762 -0.125 0.000 1.373 694 H HN 0.786 nan 8.280 nan 0.000 0.605 695 A N 3.897 126.753 122.820 0.060 0.000 1.972 695 A HA -0.102 4.218 4.320 0.001 0.000 0.219 695 A C 0.458 178.034 177.584 -0.014 0.000 1.169 695 A CA 1.328 53.434 52.037 0.115 0.000 0.635 695 A CB -0.032 19.019 19.000 0.086 0.000 0.810 695 A HN 0.795 nan 8.150 nan 0.000 0.446 696 D N -0.311 120.217 120.400 0.213 0.000 2.249 696 D HA 0.473 5.114 4.640 0.001 0.000 0.246 696 D C 1.135 177.320 176.300 -0.192 0.000 1.114 696 D CA 0.565 54.525 54.000 -0.067 0.000 0.854 696 D CB 1.567 42.312 40.800 -0.091 0.000 1.132 696 D HN 0.166 nan 8.370 nan 0.000 0.461 697 A N 3.490 126.180 122.820 -0.216 0.000 1.948 697 A HA -0.181 4.140 4.320 0.001 0.000 0.220 697 A C 1.329 178.820 177.584 -0.156 0.000 1.177 697 A CA 0.646 52.568 52.037 -0.192 0.000 0.636 697 A CB -0.414 18.485 19.000 -0.169 0.000 0.815 697 A HN 0.623 nan 8.150 nan 0.000 0.449 701 G N -0.572 108.206 108.800 -0.037 0.000 2.667 701 G HA2 0.293 4.254 3.960 0.001 0.000 0.250 701 G HA3 0.293 4.254 3.960 0.001 0.000 0.250 701 G C 1.152 176.048 174.900 -0.007 0.000 1.212 701 G CA 0.113 45.197 45.100 -0.027 0.000 0.874 701 G HN 0.176 nan 8.290 nan 0.000 0.561 702 G N -0.029 108.771 108.800 -0.000 0.000 2.440 702 G HA2 -0.060 3.901 3.960 0.001 0.000 0.218 702 G HA3 -0.060 3.901 3.960 0.001 0.000 0.218 702 G C 1.843 176.758 174.900 0.026 0.000 1.154 702 G CA 1.443 46.553 45.100 0.018 0.000 0.767 702 G HN 1.013 nan 8.290 nan 0.000 0.552 703 G N -0.396 108.415 108.800 0.019 0.000 2.485 703 G HA2 -0.187 3.773 3.960 0.001 0.000 0.221 703 G HA3 -0.187 3.773 3.960 0.001 0.000 0.221 703 G C 1.853 176.765 174.900 0.020 0.000 1.115 703 G CA 1.237 46.352 45.100 0.024 0.000 0.751 703 G HN 0.403 nan 8.290 nan 0.000 0.567 704 Q N -0.501 119.306 119.800 0.011 0.000 2.134 704 Q HA 0.128 4.468 4.340 0.001 0.000 0.195 704 Q C 2.721 178.726 176.000 0.009 0.000 0.958 704 Q CA 0.445 56.253 55.803 0.008 0.000 0.840 704 Q CB -0.210 28.532 28.738 0.007 0.000 0.918 704 Q HN 0.473 nan 8.270 nan 0.000 0.467 705 I N 0.990 121.570 120.570 0.016 0.000 2.233 705 I HA -0.176 3.995 4.170 0.001 0.000 0.243 705 I C 2.296 178.423 176.117 0.017 0.000 1.093 705 I CA 0.751 62.062 61.300 0.019 0.000 1.380 705 I CB -0.540 37.480 38.000 0.033 0.000 1.067 705 I HN 0.083 nan 8.210 nan 0.000 0.413 706 I N 0.725 121.316 120.570 0.036 0.000 2.143 706 I HA -0.294 3.876 4.170 0.001 0.000 0.245 706 I C -0.383 175.726 176.117 -0.012 0.000 1.068 706 I CA 1.902 63.231 61.300 0.048 0.000 1.326 706 I CB -1.739 36.324 38.000 0.105 0.000 1.028 706 I HN 0.213 nan 8.210 nan 0.000 0.412 707 P HA -0.084 nan 4.420 nan 0.000 0.217 707 P C 1.615 178.842 177.300 -0.122 0.000 1.151 707 P CA 1.436 64.483 63.100 -0.089 0.000 0.828 707 P CB -0.097 31.584 31.700 -0.031 0.000 0.788 708 T N -0.031 114.480 114.554 -0.072 0.000 2.580 708 T HA -0.252 4.098 4.350 0.001 0.000 0.265 708 T C 1.768 176.411 174.700 -0.096 0.000 1.063 708 T CA 1.893 63.947 62.100 -0.077 0.000 1.170 708 T CB -0.974 67.861 68.868 -0.055 0.000 0.863 708 T HN 0.038 nan 8.240 nan 0.000 0.418 709 M N 1.395 120.953 119.600 -0.070 0.000 2.082 709 M HA -0.102 4.378 4.480 0.001 0.000 0.258 709 M C 2.201 178.426 176.300 -0.126 0.000 1.069 709 M CA 1.580 56.846 55.300 -0.056 0.000 1.102 709 M CB -0.516 32.088 32.600 0.008 0.000 1.336 709 M HN -0.009 nan 8.290 nan 0.000 0.404 710 R N -0.113 120.243 120.500 -0.239 0.000 2.091 710 R HA -0.150 4.191 4.340 0.001 0.000 0.238 710 R C 2.215 178.152 176.300 -0.604 0.000 1.136 710 R CA 1.962 57.750 56.100 -0.519 0.000 0.959 710 R CB -0.260 29.581 30.300 -0.766 0.000 0.856 710 R HN 0.501 nan 8.270 nan 0.000 0.437 711 R N -0.514 119.773 120.500 -0.355 0.000 2.090 711 R HA 0.014 4.355 4.340 0.001 0.000 0.228 711 R C 2.336 178.610 176.300 -0.045 0.000 1.110 711 R CA 1.015 57.008 56.100 -0.180 0.000 0.973 711 R CB -0.295 30.014 30.300 0.016 0.000 0.869 711 R HN 0.191 nan 8.270 nan 0.000 0.440 712 A N 0.939 123.728 122.820 -0.051 0.000 1.877 712 A HA -0.158 4.163 4.320 0.001 0.000 0.216 712 A C 2.201 179.821 177.584 0.060 0.000 1.186 712 A CA 1.980 54.024 52.037 0.013 0.000 0.620 712 A CB -0.942 18.037 19.000 -0.035 0.000 0.822 712 A HN 0.243 nan 8.150 nan 0.000 0.443 713 T N -1.045 113.518 114.554 0.016 0.000 2.720 713 T HA -0.166 4.185 4.350 0.001 0.000 0.268 713 T C 1.796 176.612 174.700 0.194 0.000 1.037 713 T CA 1.680 63.842 62.100 0.103 0.000 1.144 713 T CB -0.424 68.507 68.868 0.105 0.000 0.864 713 T HN 0.474 nan 8.240 nan 0.000 0.444 714 Y N 1.497 121.714 120.300 -0.139 0.000 2.145 714 Y HA 0.030 4.581 4.550 0.001 0.000 0.286 714 Y C 2.767 178.659 175.900 -0.014 0.000 1.145 714 Y CA 0.062 58.000 58.100 -0.270 0.000 1.148 714 Y CB -1.383 36.552 38.460 -0.875 0.000 0.981 714 Y HN 0.208 nan 8.280 nan 0.000 0.507 715 A N 0.051 123.031 122.820 0.267 0.000 1.865 715 A HA -0.165 4.156 4.320 0.001 0.000 0.217 715 A C 2.708 180.467 177.584 0.293 0.000 1.191 715 A CA 2.101 54.379 52.037 0.402 0.000 0.623 715 A CB -1.499 17.786 19.000 0.475 0.000 0.826 715 A HN 0.453 nan 8.150 nan 0.000 0.444 716 G N -1.160 107.772 108.800 0.220 0.000 2.491 716 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 716 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 716 G C 1.503 176.475 174.900 0.121 0.000 1.180 716 G CA 1.299 46.479 45.100 0.133 0.000 0.774 716 G HN 0.511 nan 8.290 nan 0.000 0.562 717 F N 0.615 120.597 119.950 0.054 0.000 2.063 717 F HA -0.141 4.386 4.527 0.001 0.000 0.298 717 F C 2.369 178.177 175.800 0.014 0.000 1.109 717 F CA 1.319 59.335 58.000 0.027 0.000 1.212 717 F CB -0.172 38.836 39.000 0.014 0.000 0.973 717 F HN 0.040 nan 8.300 nan 0.000 0.480 718 L N 0.182 121.595 121.223 0.317 0.000 2.265 718 L HA -0.147 4.193 4.340 0.001 0.000 0.215 718 L C 2.033 178.921 176.870 0.031 0.000 1.117 718 L CA 1.386 56.359 54.840 0.222 0.000 0.782 718 L CB -1.231 41.037 42.059 0.349 0.000 0.914 718 L HN 0.316 nan 8.230 nan 0.000 0.441 719 L N -1.331 119.859 121.223 -0.055 0.000 2.529 719 L HA 0.096 4.436 4.340 0.001 0.000 0.223 719 L C 1.691 178.436 176.870 -0.209 0.000 1.113 719 L CA 0.282 54.985 54.840 -0.228 0.000 0.861 719 L CB -0.196 41.661 42.059 -0.336 0.000 1.012 719 L HN 0.161 nan 8.230 nan 0.000 0.461 720 A N -0.310 122.384 122.820 -0.209 0.000 2.579 720 A HA 0.064 4.385 4.320 0.001 0.000 0.273 720 A C 0.041 177.484 177.584 -0.235 0.000 1.363 720 A CA -0.138 51.768 52.037 -0.218 0.000 0.953 720 A CB -0.492 18.374 19.000 -0.223 0.000 1.034 720 A HN 0.410 nan 8.150 nan 0.000 0.536 721 D N -0.702 119.580 120.400 -0.197 0.000 3.620 721 D HA -0.094 4.547 4.640 0.001 0.000 0.237 721 D C -2.770 173.411 176.300 -0.198 0.000 1.111 721 D CA 0.247 54.155 54.000 -0.154 0.000 1.070 721 D CB -0.677 40.053 40.800 -0.117 0.000 0.891 721 D HN 0.293 nan 8.370 nan 0.000 0.412 722 P HA 0.394 nan 4.420 nan 0.000 0.272 722 P C -0.486 176.782 177.300 -0.054 0.000 1.223 722 P CA 0.046 63.035 63.100 -0.185 0.000 0.784 722 P CB 0.654 32.342 31.700 -0.020 0.000 0.923 723 K N 0.852 121.254 120.400 0.005 0.000 2.597 723 K HA 0.620 4.941 4.320 0.001 0.000 0.282 723 K C -1.075 175.599 176.600 0.124 0.000 0.975 723 K CA -0.678 55.638 56.287 0.049 0.000 0.867 723 K CB 1.559 34.072 32.500 0.022 0.000 1.465 723 K HN 0.483 nan 8.250 nan 0.000 0.417 724 I N -1.547 119.097 120.570 0.124 0.000 2.740 724 I HA 0.536 4.706 4.170 0.001 0.000 0.303 724 I C -1.209 175.034 176.117 0.211 0.000 1.044 724 I CA -0.549 60.864 61.300 0.189 0.000 1.064 724 I CB 2.156 40.273 38.000 0.195 0.000 1.249 724 I HN 0.474 nan 8.210 nan 0.000 0.433 725 Q N 3.810 123.773 119.800 0.272 0.000 2.348 725 Q HA 0.450 4.790 4.340 0.001 0.000 0.271 725 Q C -1.295 175.034 176.000 0.549 0.000 1.067 725 Q CA -0.831 55.173 55.803 0.335 0.000 0.839 725 Q CB 2.623 31.523 28.738 0.271 0.000 1.354 725 Q HN 0.755 nan 8.270 nan 0.000 0.447 726 E N 1.052 121.546 120.200 0.490 0.000 2.263 726 E HA 0.622 4.972 4.350 0.001 0.000 0.264 726 E C -2.685 174.019 176.600 0.173 0.000 0.923 726 E CA -2.318 54.303 56.400 0.368 0.000 0.802 726 E CB 2.013 31.875 29.700 0.269 0.000 1.228 726 E HN 0.179 nan 8.360 nan 0.000 0.417 727 P HA 0.179 nan 4.420 nan 0.000 0.288 727 P C -0.742 176.209 177.300 -0.582 0.000 1.267 727 P CA -0.543 62.177 63.100 -0.633 0.000 0.815 727 P CB 1.509 32.727 31.700 -0.803 0.000 0.989 728 V N 3.322 122.756 119.914 -0.801 0.000 2.680 728 V HA 0.415 4.535 4.120 0.001 0.000 0.309 728 V C -0.130 175.557 176.094 -0.678 0.000 1.052 728 V CA -0.526 61.322 62.300 -0.754 0.000 0.908 728 V CB 1.491 32.721 31.823 -0.989 0.000 1.001 728 V HN 0.361 nan 8.190 nan 0.000 0.431 729 F N 2.923 122.696 119.950 -0.295 0.000 2.397 729 F HA 0.560 5.087 4.527 0.001 0.000 0.331 729 F C 0.125 175.904 175.800 -0.034 0.000 1.090 729 F CA -1.090 56.795 58.000 -0.191 0.000 1.065 729 F CB 1.554 40.446 39.000 -0.179 0.000 1.184 729 F HN 0.245 nan 8.300 nan 0.000 0.499 730 L N 4.879 126.241 121.223 0.232 0.000 2.283 730 L HA 0.529 4.870 4.340 0.001 0.000 0.281 730 L C -1.203 175.681 176.870 0.023 0.000 1.033 730 L CA -0.606 54.344 54.840 0.184 0.000 0.848 730 L CB 0.874 43.031 42.059 0.163 0.000 1.226 730 L HN 0.419 nan 8.230 nan 0.000 0.429 731 V N 5.913 125.807 119.914 -0.034 0.000 2.394 731 V HA 0.361 4.482 4.120 0.001 0.000 0.282 731 V C -0.231 175.822 176.094 -0.068 0.000 1.031 731 V CA -0.333 61.913 62.300 -0.091 0.000 0.881 731 V CB 1.811 33.552 31.823 -0.136 0.000 0.982 731 V HN 0.872 nan 8.190 nan 0.000 0.451 732 E N 6.451 126.616 120.200 -0.057 0.000 2.151 732 E HA 0.563 4.914 4.350 0.001 0.000 0.275 732 E C -1.245 175.346 176.600 -0.016 0.000 0.936 732 E CA -0.614 55.766 56.400 -0.034 0.000 0.777 732 E CB 1.400 31.088 29.700 -0.019 0.000 1.108 732 E HN 0.755 nan 8.360 nan 0.000 0.401 733 I N 3.589 124.159 120.570 0.001 0.000 2.498 733 I HA 0.207 4.378 4.170 0.001 0.000 0.290 733 I C -0.659 175.492 176.117 0.056 0.000 1.032 733 I CA -1.002 60.311 61.300 0.022 0.000 1.073 733 I CB 2.065 40.068 38.000 0.005 0.000 1.251 733 I HN 0.434 nan 8.210 nan 0.000 0.426 734 Q N 4.249 124.114 119.800 0.107 0.000 2.257 734 Q HA 0.614 4.954 4.340 0.001 0.000 0.255 734 Q C -1.153 174.901 176.000 0.090 0.000 0.920 734 Q CA -0.027 55.843 55.803 0.112 0.000 0.927 734 Q CB 1.873 30.695 28.738 0.139 0.000 1.229 734 Q HN 0.701 nan 8.270 nan 0.000 0.433 735 C N 4.638 123.988 119.300 0.084 0.000 3.199 735 C HA 0.512 4.972 4.460 0.001 0.000 0.392 735 C C -2.800 172.234 174.990 0.075 0.000 1.050 735 C CA -1.585 57.468 59.018 0.057 0.000 1.222 735 C CB 1.451 29.211 27.740 0.035 0.000 1.595 735 C HN 0.642 nan 8.230 nan 0.000 0.560 736 P HA 0.134 nan 4.420 nan 0.000 0.267 736 P C 0.657 177.933 177.300 -0.039 0.000 1.205 736 P CA 0.646 63.786 63.100 0.066 0.000 0.765 736 P CB 0.493 32.248 31.700 0.092 0.000 0.828 737 E N 2.987 123.080 120.200 -0.177 0.000 2.236 737 E HA -0.359 3.991 4.350 0.001 0.000 0.205 737 E C 1.362 177.827 176.600 -0.225 0.000 1.028 737 E CA 1.728 57.858 56.400 -0.451 0.000 0.827 737 E CB 0.117 29.433 29.700 -0.641 0.000 0.735 737 E HN 0.556 nan 8.360 nan 0.000 0.470 738 Q N -0.725 119.006 119.800 -0.116 0.000 2.119 738 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 738 Q C 1.918 177.898 176.000 -0.034 0.000 0.972 738 Q CA 1.384 57.150 55.803 -0.061 0.000 0.847 738 Q CB -0.077 28.643 28.738 -0.030 0.000 0.903 738 Q HN 0.219 nan 8.270 nan 0.000 0.433 739 A N 0.742 123.546 122.820 -0.026 0.000 2.267 739 A HA 0.185 4.505 4.320 0.001 0.000 0.213 739 A C 2.059 179.637 177.584 -0.010 0.000 1.192 739 A CA -0.106 51.923 52.037 -0.012 0.000 0.851 739 A CB 0.039 19.033 19.000 -0.009 0.000 0.881 739 A HN 0.178 nan 8.150 nan 0.000 0.494 740 V N 0.222 120.130 119.914 -0.010 0.000 2.794 740 V HA -0.233 3.888 4.120 0.001 0.000 0.260 740 V C 2.627 178.755 176.094 0.057 0.000 1.103 740 V CA 1.771 64.079 62.300 0.013 0.000 1.125 740 V CB -1.299 30.575 31.823 0.085 0.000 0.702 740 V HN 0.593 nan 8.190 nan 0.000 0.494 741 G N 0.608 109.457 108.800 0.081 0.000 2.433 741 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 741 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 741 G C 1.656 176.610 174.900 0.090 0.000 1.186 741 G CA 0.800 45.978 45.100 0.130 0.000 0.779 741 G HN 0.567 nan 8.290 nan 0.000 0.543 742 G N 0.930 109.745 108.800 0.026 0.000 2.485 742 G HA2 -0.204 3.756 3.960 0.001 0.000 0.221 742 G HA3 -0.204 3.756 3.960 0.001 0.000 0.221 742 G C 1.612 176.494 174.900 -0.030 0.000 1.115 742 G CA 0.956 46.055 45.100 -0.002 0.000 0.751 742 G HN 0.326 nan 8.290 nan 0.000 0.567 743 I N 0.281 120.801 120.570 -0.083 0.000 2.045 743 I HA -0.163 4.007 4.170 0.001 0.000 0.233 743 I C 2.517 178.563 176.117 -0.119 0.000 1.048 743 I CA 1.114 62.310 61.300 -0.173 0.000 1.313 743 I CB -1.616 36.156 38.000 -0.380 0.000 1.043 743 I HN 0.192 nan 8.210 nan 0.000 0.393 744 Y N 1.160 121.501 120.300 0.068 0.000 2.283 744 Y HA -0.243 4.307 4.550 0.001 0.000 0.285 744 Y C 3.066 179.005 175.900 0.065 0.000 1.176 744 Y CA 1.639 59.781 58.100 0.070 0.000 1.229 744 Y CB -1.200 37.296 38.460 0.060 0.000 0.975 744 Y HN 0.208 nan 8.280 nan 0.000 0.537 745 S N -0.377 115.424 115.700 0.168 0.000 2.353 745 S HA -0.161 4.309 4.470 0.001 0.000 0.222 745 S C 2.130 176.787 174.600 0.095 0.000 1.035 745 S CA 1.721 59.988 58.200 0.112 0.000 1.025 745 S CB -0.661 62.580 63.200 0.068 0.000 0.902 745 S HN 0.208 nan 8.310 nan 0.000 0.440 746 V N 2.122 122.078 119.914 0.071 0.000 2.591 746 V HA 0.000 4.121 4.120 0.001 0.000 0.249 746 V C 2.345 178.554 176.094 0.191 0.000 1.053 746 V CA 1.214 63.566 62.300 0.086 0.000 1.068 746 V CB -0.664 31.142 31.823 -0.027 0.000 0.689 746 V HN 0.463 nan 8.190 nan 0.000 0.462 747 L N 0.501 121.847 121.223 0.204 0.000 2.131 747 L HA -0.150 4.191 4.340 0.001 0.000 0.210 747 L C 2.066 179.041 176.870 0.174 0.000 1.092 747 L CA 1.276 56.248 54.840 0.220 0.000 0.759 747 L CB -0.621 41.549 42.059 0.184 0.000 0.903 747 L HN 0.431 nan 8.230 nan 0.000 0.435 748 N N 0.860 119.654 118.700 0.157 0.000 2.521 748 N HA -0.078 4.663 4.740 0.001 0.000 0.188 748 N C 1.046 176.623 175.510 0.111 0.000 1.146 748 N CA 0.658 53.785 53.050 0.128 0.000 0.893 748 N CB 0.114 38.672 38.487 0.117 0.000 0.975 748 N HN 0.565 nan 8.380 nan 0.000 0.451 749 K N -0.629 119.844 120.400 0.123 0.000 2.478 749 K HA 0.317 4.637 4.320 0.001 0.000 0.205 749 K C 0.299 176.976 176.600 0.129 0.000 1.033 749 K CA -0.167 56.186 56.287 0.110 0.000 1.091 749 K CB 0.648 33.206 32.500 0.096 0.000 0.844 749 K HN -0.267 nan 8.250 nan 0.000 0.507 750 K N 0.876 121.361 120.400 0.141 0.000 2.585 750 K HA 0.269 4.589 4.320 0.001 0.000 0.210 750 K C -0.560 176.102 176.600 0.105 0.000 1.294 750 K CA -0.253 56.118 56.287 0.140 0.000 1.025 750 K CB 0.697 33.309 32.500 0.186 0.000 1.076 750 K HN 0.209 nan 8.250 nan 0.000 0.613 751 R N -0.459 120.102 120.500 0.102 0.000 3.654 751 R HA -0.118 4.222 4.340 0.001 0.000 0.302 751 R C 0.250 176.607 176.300 0.094 0.000 1.166 751 R CA 0.542 56.697 56.100 0.091 0.000 0.810 751 R CB -2.240 28.109 30.300 0.081 0.000 1.323 751 R HN 0.314 nan 8.270 nan 0.000 0.478 752 G N 0.711 109.573 108.800 0.104 0.000 2.503 752 G HA2 0.272 4.233 3.960 0.001 0.000 0.257 752 G HA3 0.272 4.233 3.960 0.001 0.000 0.257 752 G C -0.429 174.547 174.900 0.125 0.000 1.214 752 G CA -0.276 44.885 45.100 0.103 0.000 0.839 752 G HN 0.176 nan 8.290 nan 0.000 0.559 753 Q N 1.302 121.186 119.800 0.141 0.000 2.320 753 Q HA 0.392 4.732 4.340 0.001 0.000 0.268 753 Q C -0.910 175.133 176.000 0.072 0.000 1.023 753 Q CA -0.659 55.230 55.803 0.144 0.000 0.744 753 Q CB 1.787 30.662 28.738 0.229 0.000 1.246 753 Q HN 0.344 nan 8.270 nan 0.000 0.462 754 V N 4.915 124.880 119.914 0.084 0.000 2.485 754 V HA -0.005 4.116 4.120 0.001 0.000 0.287 754 V C 0.990 177.068 176.094 -0.027 0.000 1.022 754 V CA 0.193 62.529 62.300 0.060 0.000 1.067 754 V CB 0.952 32.889 31.823 0.191 0.000 0.967 754 V HN 0.780 nan 8.190 nan 0.000 0.479 755 V N 3.331 123.160 119.914 -0.143 0.000 2.795 755 V HA 0.144 4.265 4.120 0.001 0.000 0.243 755 V C 0.734 176.768 176.094 -0.099 0.000 1.069 755 V CA 1.283 63.467 62.300 -0.193 0.000 1.089 755 V CB 0.472 32.032 31.823 -0.438 0.000 0.756 755 V HN 1.023 nan 8.190 nan 0.000 0.471 756 S N -0.716 114.942 115.700 -0.070 0.000 2.580 756 S HA 0.487 4.957 4.470 0.001 0.000 0.281 756 S C -1.349 173.241 174.600 -0.016 0.000 1.129 756 S CA -0.748 57.428 58.200 -0.041 0.000 0.862 756 S CB 2.372 65.534 63.200 -0.063 0.000 1.090 756 S HN 0.287 nan 8.310 nan 0.000 0.451 757 E N 1.065 121.256 120.200 -0.015 0.000 2.260 757 E HA 0.442 4.792 4.350 0.001 0.000 0.266 757 E C -1.201 175.295 176.600 -0.174 0.000 0.887 757 E CA -0.332 56.053 56.400 -0.026 0.000 0.777 757 E CB 1.588 31.364 29.700 0.127 0.000 1.205 757 E HN 0.769 nan 8.360 nan 0.000 0.414 758 E N 2.244 122.291 120.200 -0.254 0.000 2.404 758 E HA 0.354 4.705 4.350 0.001 0.000 0.264 758 E C -0.849 175.404 176.600 -0.578 0.000 0.946 758 E CA -0.918 55.267 56.400 -0.359 0.000 0.806 758 E CB 2.101 31.689 29.700 -0.186 0.000 1.334 758 E HN 0.485 nan 8.360 nan 0.000 0.429 759 Q N 0.384 119.899 119.800 -0.476 0.000 2.397 759 Q HA 0.484 4.825 4.340 0.001 0.000 0.275 759 Q C -0.781 175.187 176.000 -0.054 0.000 1.090 759 Q CA -0.998 54.623 55.803 -0.304 0.000 0.809 759 Q CB 2.354 30.928 28.738 -0.272 0.000 1.362 759 Q HN 0.303 nan 8.270 nan 0.000 0.431 760 R N 2.518 123.055 120.500 0.062 0.000 2.242 760 R HA 0.165 4.505 4.340 0.001 0.000 0.334 760 R C -1.899 174.440 176.300 0.065 0.000 1.071 760 R CA -1.198 54.938 56.100 0.060 0.000 0.922 760 R CB 0.124 30.482 30.300 0.097 0.000 1.023 760 R HN 0.503 nan 8.270 nan 0.000 0.458 761 P HA -0.326 nan 4.420 nan 0.000 0.225 761 P C 0.918 178.241 177.300 0.038 0.000 0.810 761 P CA 2.408 65.525 63.100 0.028 0.000 1.060 761 P CB -0.070 31.640 31.700 0.015 0.000 0.728 762 G N -1.888 106.930 108.800 0.029 0.000 2.524 762 G HA2 -0.154 3.807 3.960 0.001 0.000 0.215 762 G HA3 -0.154 3.807 3.960 0.001 0.000 0.215 762 G C 0.538 175.446 174.900 0.015 0.000 1.239 762 G CA 1.863 46.972 45.100 0.016 0.000 0.798 762 G HN 0.591 nan 8.290 nan 0.000 0.557 763 T N -0.348 114.222 114.554 0.026 0.000 2.734 763 T HA 0.331 4.681 4.350 0.001 0.000 0.314 763 T C -1.797 172.949 174.700 0.077 0.000 1.057 763 T CA -0.564 61.538 62.100 0.002 0.000 1.047 763 T CB 1.380 70.313 68.868 0.109 0.000 0.991 763 T HN 0.120 nan 8.240 nan 0.000 0.540 764 P HA 0.285 nan 4.420 nan 0.000 0.254 764 P C -0.392 177.033 177.300 0.208 0.000 1.620 764 P CA -0.455 62.700 63.100 0.092 0.000 1.050 764 P CB -0.253 31.434 31.700 -0.022 0.000 1.539 765 L N 0.735 122.160 121.223 0.338 0.000 2.312 765 L HA 0.363 4.704 4.340 0.001 0.000 0.287 765 L C -0.448 176.668 176.870 0.410 0.000 1.091 765 L CA -0.505 54.539 54.840 0.340 0.000 0.846 765 L CB -0.840 41.393 42.059 0.290 0.000 1.219 765 L HN -0.138 nan 8.230 nan 0.000 0.439 766 F N 2.584 122.579 119.950 0.074 0.000 2.371 766 F HA 0.352 4.879 4.527 0.000 0.000 0.329 766 F C 0.909 176.731 175.800 0.036 0.000 1.107 766 F CA -0.657 57.377 58.000 0.055 0.000 1.137 766 F CB 1.681 40.718 39.000 0.063 0.000 1.214 766 F HN 0.384 nan 8.300 nan 0.000 0.536 767 T N 2.934 117.559 114.554 0.118 0.000 3.009 767 T HA 0.439 4.789 4.350 0.001 0.000 0.346 767 T C -1.073 173.638 174.700 0.017 0.000 1.092 767 T CA -0.553 61.581 62.100 0.058 0.000 1.080 767 T CB 0.002 68.885 68.868 0.026 0.000 1.037 767 T HN 0.261 nan 8.240 nan 0.000 0.487 768 V N 5.890 125.817 119.914 0.022 0.000 2.546 768 V HA 0.500 4.620 4.120 0.001 0.000 0.284 768 V C 0.300 176.372 176.094 -0.037 0.000 1.050 768 V CA -0.519 61.774 62.300 -0.012 0.000 0.981 768 V CB 1.341 33.111 31.823 -0.088 0.000 0.990 768 V HN 0.733 nan 8.190 nan 0.000 0.474 769 K N 3.237 123.605 120.400 -0.052 0.000 2.376 769 K HA 0.838 5.159 4.320 0.001 0.000 0.257 769 K C -0.562 175.951 176.600 -0.145 0.000 0.939 769 K CA -0.340 55.889 56.287 -0.096 0.000 0.809 769 K CB 2.209 34.642 32.500 -0.111 0.000 1.121 769 K HN 0.854 nan 8.250 nan 0.000 0.425 770 A N 2.260 124.978 122.820 -0.169 0.000 2.593 770 A HA 0.616 4.937 4.320 0.001 0.000 0.290 770 A C -1.956 175.517 177.584 -0.186 0.000 1.126 770 A CA -0.712 51.205 52.037 -0.200 0.000 0.695 770 A CB 0.775 19.744 19.000 -0.052 0.000 1.290 770 A HN 0.528 nan 8.150 nan 0.000 0.414 771 Y N -0.150 120.162 120.300 0.021 0.000 2.328 771 Y HA 0.605 5.156 4.550 0.001 0.000 0.337 771 Y C -0.228 175.658 175.900 -0.022 0.000 1.008 771 Y CA -0.850 57.264 58.100 0.023 0.000 1.129 771 Y CB 1.640 40.157 38.460 0.095 0.000 1.185 771 Y HN 0.532 nan 8.280 nan 0.000 0.476 772 L N 7.072 128.365 121.223 0.116 0.000 2.349 772 L HA 0.649 4.990 4.340 0.001 0.000 0.278 772 L C -2.852 174.004 176.870 -0.023 0.000 0.996 772 L CA -2.580 52.248 54.840 -0.020 0.000 0.825 772 L CB 1.859 43.779 42.059 -0.232 0.000 1.243 772 L HN 0.293 nan 8.230 nan 0.000 0.412 773 P HA 0.046 nan 4.420 nan 0.000 0.261 773 P C 1.025 178.255 177.300 -0.117 0.000 1.203 773 P CA -0.022 63.018 63.100 -0.099 0.000 0.767 773 P CB 0.773 32.462 31.700 -0.018 0.000 0.785 774 V N 3.894 123.619 119.914 -0.316 0.000 2.317 774 V HA -0.305 3.815 4.120 0.001 0.000 0.251 774 V C 2.084 178.129 176.094 -0.081 0.000 1.065 774 V CA 2.384 64.457 62.300 -0.377 0.000 1.049 774 V CB -1.096 30.323 31.823 -0.674 0.000 0.651 774 V HN 0.725 nan 8.190 nan 0.000 0.450 775 N N -0.011 118.684 118.700 -0.008 0.000 2.575 775 N HA -0.154 4.587 4.740 0.001 0.000 0.192 775 N C 1.144 176.800 175.510 0.243 0.000 1.200 775 N CA 0.981 54.144 53.050 0.188 0.000 0.897 775 N CB 0.010 38.595 38.487 0.163 0.000 0.990 775 N HN 0.579 nan 8.380 nan 0.000 0.449 776 E N -0.308 119.990 120.200 0.164 0.000 2.641 776 E HA 0.054 4.404 4.350 0.001 0.000 0.224 776 E C 0.417 177.113 176.600 0.161 0.000 0.951 776 E CA 0.088 56.589 56.400 0.168 0.000 1.102 776 E CB 0.608 30.369 29.700 0.103 0.000 1.091 776 E HN 0.467 nan 8.360 nan 0.000 0.507 777 S N -0.265 115.499 115.700 0.108 0.000 2.605 777 S HA 0.177 4.648 4.470 0.001 0.000 0.217 777 S C 0.452 175.075 174.600 0.037 0.000 0.958 777 S CA -0.508 57.711 58.200 0.031 0.000 0.919 777 S CB -0.579 62.630 63.200 0.014 0.000 0.780 777 S HN -0.031 nan 8.310 nan 0.000 0.507 778 F N 2.891 122.920 119.950 0.131 0.000 2.502 778 F HA 0.472 5.000 4.527 0.001 0.000 0.371 778 F C 1.700 177.568 175.800 0.114 0.000 1.083 778 F CA 0.802 58.868 58.000 0.110 0.000 1.174 778 F CB 0.225 39.274 39.000 0.083 0.000 1.096 778 F HN 0.346 nan 8.300 nan 0.000 0.545 779 G N 3.376 112.295 108.800 0.197 0.000 2.153 779 G HA2 -0.397 3.563 3.960 0.001 0.000 0.252 779 G HA3 -0.397 3.563 3.960 0.001 0.000 0.252 779 G C 0.923 175.901 174.900 0.130 0.000 0.994 779 G CA 0.381 45.561 45.100 0.134 0.000 0.698 779 G HN 0.655 nan 8.290 nan 0.000 0.521 780 F N 1.574 121.522 119.950 -0.003 0.000 2.069 780 F HA -0.100 4.428 4.527 0.001 0.000 0.298 780 F C 2.683 178.460 175.800 -0.039 0.000 1.113 780 F CA 2.824 60.815 58.000 -0.016 0.000 1.214 780 F CB -0.642 38.333 39.000 -0.041 0.000 0.978 780 F HN 0.171 nan 8.300 nan 0.000 0.474 781 T N -0.077 114.483 114.554 0.009 0.000 2.759 781 T HA -0.164 4.187 4.350 0.001 0.000 0.269 781 T C 2.119 176.743 174.700 -0.127 0.000 1.042 781 T CA 1.385 63.420 62.100 -0.108 0.000 1.140 781 T CB -1.198 67.627 68.868 -0.070 0.000 0.864 781 T HN 0.490 nan 8.240 nan 0.000 0.455 782 G N 1.210 109.964 108.800 -0.077 0.000 2.421 782 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 782 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 782 G C 1.468 176.316 174.900 -0.086 0.000 1.171 782 G CA 0.573 45.639 45.100 -0.057 0.000 0.775 782 G HN 0.513 nan 8.290 nan 0.000 0.543 783 E N -0.290 119.838 120.200 -0.120 0.000 2.106 783 E HA -0.048 4.303 4.350 0.001 0.000 0.192 783 E C 2.356 178.822 176.600 -0.223 0.000 0.984 783 E CA 0.449 56.764 56.400 -0.141 0.000 0.806 783 E CB -0.139 29.490 29.700 -0.118 0.000 0.750 783 E HN 0.322 nan 8.360 nan 0.000 0.458 784 L N 1.330 122.322 121.223 -0.385 0.000 2.191 784 L HA -0.131 4.209 4.340 0.001 0.000 0.212 784 L C 2.228 178.977 176.870 -0.202 0.000 1.103 784 L CA 1.411 56.014 54.840 -0.394 0.000 0.769 784 L CB -0.306 41.407 42.059 -0.576 0.000 0.908 784 L HN -0.098 nan 8.230 nan 0.000 0.438 785 R N -0.077 120.334 120.500 -0.148 0.000 2.096 785 R HA -0.228 4.112 4.340 0.001 0.000 0.229 785 R C 2.383 178.648 176.300 -0.058 0.000 1.134 785 R CA 2.318 58.373 56.100 -0.075 0.000 0.917 785 R CB -0.992 29.285 30.300 -0.038 0.000 0.832 785 R HN 0.606 nan 8.270 nan 0.000 0.430 786 Q N -0.547 119.221 119.800 -0.053 0.000 2.062 786 Q HA -0.247 4.093 4.340 0.001 0.000 0.209 786 Q C 1.863 177.840 176.000 -0.039 0.000 0.996 786 Q CA 2.475 58.257 55.803 -0.036 0.000 0.859 786 Q CB -0.394 28.326 28.738 -0.029 0.000 0.920 786 Q HN 0.452 nan 8.270 nan 0.000 0.415 787 A N 0.387 123.172 122.820 -0.059 0.000 1.852 787 A HA -0.228 4.092 4.320 0.001 0.000 0.217 787 A C 2.064 179.624 177.584 -0.041 0.000 1.215 787 A CA 2.528 54.534 52.037 -0.052 0.000 0.641 787 A CB -1.461 17.491 19.000 -0.079 0.000 0.838 787 A HN 0.671 nan 8.150 nan 0.000 0.450 788 T N -3.226 111.295 114.554 -0.054 0.000 3.406 788 T HA 0.434 4.784 4.350 0.001 0.000 0.244 788 T C 1.087 175.773 174.700 -0.023 0.000 0.949 788 T CA 0.830 62.908 62.100 -0.036 0.000 0.926 788 T CB -0.646 68.196 68.868 -0.044 0.000 1.089 788 T HN 1.827 nan 8.240 nan 0.000 0.604 789 G N 0.831 109.620 108.800 -0.019 0.000 2.309 789 G HA2 -0.054 3.906 3.960 0.001 0.000 0.286 789 G HA3 -0.054 3.906 3.960 0.001 0.000 0.286 789 G C 1.156 176.052 174.900 -0.007 0.000 1.002 789 G CA 0.356 45.450 45.100 -0.010 0.000 0.786 789 G HN 1.894 nan 8.290 nan 0.000 0.511 790 G N -1.612 107.180 108.800 -0.013 0.000 2.168 790 G HA2 -0.351 3.609 3.960 0.001 0.000 0.263 790 G HA3 -0.351 3.609 3.960 0.001 0.000 0.263 790 G C 0.946 175.849 174.900 0.005 0.000 0.977 790 G CA 1.327 46.424 45.100 -0.005 0.000 0.659 790 G HN 0.923 nan 8.290 nan 0.000 0.533 791 Q N -0.222 119.578 119.800 0.001 0.000 2.389 791 Q HA 0.477 4.818 4.340 0.001 0.000 0.204 791 Q C 1.651 177.664 176.000 0.020 0.000 0.944 791 Q CA 0.592 56.397 55.803 0.003 0.000 0.908 791 Q CB 0.321 29.058 28.738 -0.002 0.000 1.002 791 Q HN 0.841 nan 8.270 nan 0.000 0.493 792 A N 0.957 123.789 122.820 0.019 0.000 2.388 792 A HA 0.277 4.597 4.320 0.001 0.000 0.257 792 A C -0.906 176.741 177.584 0.105 0.000 1.095 792 A CA -0.106 51.953 52.037 0.037 0.000 0.791 792 A CB 0.062 19.050 19.000 -0.019 0.000 1.029 792 A HN 0.283 nan 8.150 nan 0.000 0.489 793 F N 4.624 124.549 119.950 -0.042 0.000 2.363 793 F HA 0.465 4.992 4.527 0.001 0.000 0.366 793 F C -2.434 173.356 175.800 -0.016 0.000 1.083 793 F CA -2.727 55.254 58.000 -0.032 0.000 1.176 793 F CB 1.288 40.266 39.000 -0.038 0.000 1.432 793 F HN 0.309 nan 8.300 nan 0.000 0.482 794 P HA 0.188 nan 4.420 nan 0.000 0.270 794 P C -1.426 175.666 177.300 -0.347 0.000 1.223 794 P CA -0.079 62.883 63.100 -0.230 0.000 0.785 794 P CB 0.658 32.275 31.700 -0.139 0.000 0.923 795 Q N 1.204 120.885 119.800 -0.198 0.000 2.429 795 Q HA 0.470 4.810 4.340 0.001 0.000 0.247 795 Q C -1.544 174.358 176.000 -0.163 0.000 0.915 795 Q CA -0.423 55.271 55.803 -0.183 0.000 0.971 795 Q CB 1.049 29.722 28.738 -0.109 0.000 1.468 795 Q HN 0.467 nan 8.270 nan 0.000 0.439 796 M N 1.162 120.624 119.600 -0.231 0.000 2.484 796 M HA 0.852 5.333 4.480 0.001 0.000 0.289 796 M C -1.759 174.353 176.300 -0.314 0.000 1.206 796 M CA -1.047 54.064 55.300 -0.316 0.000 0.892 796 M CB 2.358 34.618 32.600 -0.567 0.000 1.712 796 M HN 0.302 nan 8.290 nan 0.000 0.462 797 V N 2.194 122.022 119.914 -0.144 0.000 3.114 797 V HA 0.628 4.748 4.120 0.001 0.000 0.308 797 V C -1.520 174.778 176.094 0.341 0.000 1.168 797 V CA -0.695 61.633 62.300 0.047 0.000 1.015 797 V CB 2.639 34.480 31.823 0.031 0.000 1.050 797 V HN 0.829 nan 8.190 nan 0.000 0.433 798 F N 3.559 123.671 119.950 0.270 0.000 2.538 798 F HA 0.314 4.841 4.527 0.001 0.000 0.371 798 F C 0.672 176.472 175.800 -0.001 0.000 1.087 798 F CA 0.934 58.999 58.000 0.109 0.000 1.250 798 F CB 1.177 40.129 39.000 -0.081 0.000 1.110 798 F HN 0.787 nan 8.300 nan 0.000 0.570 799 D N 1.945 121.708 120.400 -1.062 0.000 3.084 799 D HA 0.132 4.773 4.640 0.001 0.000 0.294 799 D C -0.555 175.212 176.300 -0.889 0.000 1.165 799 D CA 1.079 54.661 54.000 -0.697 0.000 1.008 799 D CB 0.267 40.993 40.800 -0.124 0.000 1.266 799 D HN 0.768 nan 8.370 nan 0.000 0.449 800 H N -4.008 114.340 119.070 -1.204 0.000 2.905 800 H HA 0.520 5.077 4.556 0.001 0.000 0.280 800 H C -1.691 173.247 175.328 -0.651 0.000 1.445 800 H CA -1.297 54.306 56.048 -0.742 0.000 1.165 800 H CB 0.236 29.752 29.762 -0.411 0.000 1.857 800 H HN -0.049 nan 8.280 nan 0.000 0.567 801 W N 0.523 121.774 121.300 -0.083 0.000 2.520 801 W HA 0.632 5.292 4.660 0.001 0.000 0.323 801 W C -0.170 176.359 176.519 0.016 0.000 1.062 801 W CA -0.861 56.463 57.345 -0.034 0.000 1.215 801 W CB 2.272 31.783 29.460 0.085 0.000 1.340 801 W HN 0.574 nan 8.180 nan 0.000 0.516 802 S N 1.654 117.469 115.700 0.193 0.000 2.478 802 S HA 0.476 4.946 4.470 0.001 0.000 0.312 802 S C -0.401 174.315 174.600 0.194 0.000 1.094 802 S CA -0.499 57.798 58.200 0.160 0.000 1.081 802 S CB 0.589 63.828 63.200 0.064 0.000 1.007 802 S HN 0.326 nan 8.310 nan 0.000 0.475 803 T N 6.530 121.181 114.554 0.163 0.000 2.737 803 T HA 0.294 4.645 4.350 0.001 0.000 0.296 803 T C 0.244 175.012 174.700 0.113 0.000 0.922 803 T CA -0.293 61.891 62.100 0.140 0.000 1.079 803 T CB -0.125 68.807 68.868 0.106 0.000 0.892 803 T HN 0.532 nan 8.240 nan 0.000 0.514 804 L N 2.670 123.963 121.223 0.117 0.000 2.456 804 L HA 0.258 4.599 4.340 0.001 0.000 0.272 804 L C 1.776 178.680 176.870 0.058 0.000 1.189 804 L CA -0.308 54.584 54.840 0.087 0.000 0.846 804 L CB 0.171 42.279 42.059 0.081 0.000 1.111 804 L HN 0.795 nan 8.230 nan 0.000 0.475 805 G N 1.171 109.998 108.800 0.046 0.000 2.623 805 G HA2 -0.081 3.879 3.960 0.001 0.000 0.214 805 G HA3 -0.081 3.879 3.960 0.001 0.000 0.214 805 G C 0.746 175.657 174.900 0.019 0.000 1.138 805 G CA 0.212 45.331 45.100 0.031 0.000 0.794 805 G HN 0.665 nan 8.290 nan 0.000 0.535 806 S N 0.325 116.034 115.700 0.016 0.000 2.584 806 S HA 0.328 4.799 4.470 0.001 0.000 0.273 806 S C -0.440 174.156 174.600 -0.006 0.000 1.311 806 S CA -0.719 57.482 58.200 0.003 0.000 1.034 806 S CB 1.982 65.181 63.200 -0.002 0.000 0.939 806 S HN 0.085 nan 8.310 nan 0.000 0.513 807 D N 1.775 122.168 120.400 -0.011 0.000 2.414 807 D HA 0.238 4.878 4.640 0.001 0.000 0.242 807 D C -1.302 174.978 176.300 -0.033 0.000 1.129 807 D CA -2.070 51.922 54.000 -0.015 0.000 0.885 807 D CB 1.040 41.834 40.800 -0.011 0.000 1.198 807 D HN 0.306 nan 8.370 nan 0.000 0.437 808 P HA 0.032 nan 4.420 nan 0.000 0.245 808 P C 1.274 178.537 177.300 -0.061 0.000 1.203 808 P CA 0.407 63.462 63.100 -0.075 0.000 0.792 808 P CB 0.402 32.070 31.700 -0.054 0.000 0.997 809 L N -0.429 120.782 121.223 -0.020 0.000 2.418 809 L HA 0.098 4.439 4.340 0.001 0.000 0.218 809 L C 0.965 177.826 176.870 -0.014 0.000 1.125 809 L CA 0.506 55.343 54.840 -0.005 0.000 0.835 809 L CB -0.659 41.414 42.059 0.023 0.000 0.953 809 L HN -0.047 nan 8.230 nan 0.000 0.454 810 D N 0.710 121.097 120.400 -0.022 0.000 2.411 810 D HA 0.156 4.796 4.640 0.001 0.000 0.225 810 D C -1.678 174.602 176.300 -0.034 0.000 1.156 810 D CA -2.246 51.742 54.000 -0.021 0.000 0.874 810 D CB 1.496 42.287 40.800 -0.015 0.000 1.034 810 D HN -0.195 nan 8.370 nan 0.000 0.502 811 P HA -0.225 nan 4.420 nan 0.000 0.219 811 P C 1.287 178.565 177.300 -0.038 0.000 1.158 811 P CA 1.529 64.605 63.100 -0.040 0.000 0.895 811 P CB 0.157 31.840 31.700 -0.028 0.000 0.792 812 T N -1.395 113.143 114.554 -0.026 0.000 3.023 812 T HA -0.018 4.333 4.350 0.001 0.000 0.266 812 T C 1.026 175.713 174.700 -0.023 0.000 1.093 812 T CA 0.646 62.734 62.100 -0.021 0.000 1.129 812 T CB -0.781 68.079 68.868 -0.013 0.000 0.899 812 T HN 0.245 nan 8.240 nan 0.000 0.491 813 S N 0.230 115.914 115.700 -0.026 0.000 2.612 813 S HA 0.140 4.610 4.470 0.001 0.000 0.253 813 S C 1.279 175.860 174.600 -0.032 0.000 1.346 813 S CA -0.219 57.966 58.200 -0.024 0.000 0.976 813 S CB 0.514 63.698 63.200 -0.026 0.000 0.949 813 S HN 0.472 nan 8.310 nan 0.000 0.584 814 K N 0.593 120.979 120.400 -0.024 0.000 2.031 814 K HA 0.003 4.323 4.320 0.001 0.000 0.205 814 K C 2.524 179.091 176.600 -0.055 0.000 1.049 814 K CA 1.252 57.525 56.287 -0.023 0.000 0.939 814 K CB -0.677 31.823 32.500 0.001 0.000 0.717 814 K HN 0.698 nan 8.250 nan 0.000 0.438 815 A N 1.217 123.996 122.820 -0.067 0.000 1.897 815 A HA -0.045 4.275 4.320 0.001 0.000 0.215 815 A C 2.429 179.896 177.584 -0.195 0.000 1.181 815 A CA 1.720 53.679 52.037 -0.130 0.000 0.620 815 A CB -1.189 17.755 19.000 -0.094 0.000 0.821 815 A HN 0.411 nan 8.150 nan 0.000 0.443 816 G N -0.404 108.313 108.800 -0.138 0.000 2.450 816 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 816 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 816 G C 1.422 176.230 174.900 -0.154 0.000 1.130 816 G CA 1.229 46.241 45.100 -0.145 0.000 0.760 816 G HN 0.690 nan 8.290 nan 0.000 0.557 817 E N 0.051 120.178 120.200 -0.122 0.000 2.051 817 E HA -0.095 4.255 4.350 0.001 0.000 0.192 817 E C 2.471 178.986 176.600 -0.143 0.000 0.991 817 E CA 0.788 57.127 56.400 -0.101 0.000 0.799 817 E CB -0.195 29.467 29.700 -0.063 0.000 0.748 817 E HN 0.518 nan 8.360 nan 0.000 0.449 818 I N 0.388 120.837 120.570 -0.202 0.000 2.127 818 I HA -0.282 3.889 4.170 0.001 0.000 0.241 818 I C 2.395 178.270 176.117 -0.403 0.000 1.075 818 I CA 0.869 62.001 61.300 -0.280 0.000 1.334 818 I CB -0.295 37.443 38.000 -0.436 0.000 1.040 818 I HN 0.087 nan 8.210 nan 0.000 0.405 819 V N 1.374 120.940 119.914 -0.580 0.000 2.287 819 V HA -0.288 3.832 4.120 0.001 0.000 0.248 819 V C 2.466 178.377 176.094 -0.306 0.000 1.053 819 V CA 2.231 64.089 62.300 -0.735 0.000 1.027 819 V CB -0.735 30.721 31.823 -0.612 0.000 0.646 819 V HN 0.494 nan 8.190 nan 0.000 0.447 820 L N 0.980 122.089 121.223 -0.190 0.000 2.056 820 L HA -0.012 4.329 4.340 0.001 0.000 0.207 820 L C 2.401 179.243 176.870 -0.048 0.000 1.078 820 L CA 2.447 57.234 54.840 -0.087 0.000 0.749 820 L CB -0.933 41.084 42.059 -0.071 0.000 0.901 820 L HN 0.129 nan 8.230 nan 0.000 0.433 821 A N 0.207 122.991 122.820 -0.060 0.000 1.902 821 A HA -0.038 4.283 4.320 0.001 0.000 0.217 821 A C 2.526 180.113 177.584 0.005 0.000 1.181 821 A CA 1.921 53.942 52.037 -0.027 0.000 0.623 821 A CB -1.274 17.708 19.000 -0.030 0.000 0.818 821 A HN 0.667 nan 8.150 nan 0.000 0.443 822 A N -0.331 122.514 122.820 0.042 0.000 1.877 822 A HA -0.164 4.156 4.320 0.001 0.000 0.216 822 A C 2.248 179.983 177.584 0.251 0.000 1.186 822 A CA 1.530 53.676 52.037 0.183 0.000 0.620 822 A CB -0.519 18.756 19.000 0.458 0.000 0.822 822 A HN 0.527 nan 8.150 nan 0.000 0.443 823 R N -0.514 120.113 120.500 0.212 0.000 2.096 823 R HA -0.171 4.169 4.340 0.001 0.000 0.240 823 R C 2.362 178.745 176.300 0.138 0.000 1.139 823 R CA 1.924 58.146 56.100 0.203 0.000 0.952 823 R CB -0.304 30.062 30.300 0.110 0.000 0.854 823 R HN 0.523 nan 8.270 nan 0.000 0.436 824 K N 0.237 120.677 120.400 0.066 0.000 2.026 824 K HA -0.187 4.133 4.320 0.001 0.000 0.208 824 K C 2.204 178.811 176.600 0.012 0.000 1.048 824 K CA 1.364 57.671 56.287 0.032 0.000 0.929 824 K CB -0.109 32.396 32.500 0.008 0.000 0.713 824 K HN 0.026 nan 8.250 nan 0.000 0.439 825 R N 0.047 120.527 120.500 -0.033 0.000 2.103 825 R HA -0.169 4.171 4.340 0.001 0.000 0.242 825 R C 1.690 177.897 176.300 -0.156 0.000 1.142 825 R CA 1.640 57.665 56.100 -0.126 0.000 0.960 825 R CB -0.125 30.047 30.300 -0.213 0.000 0.858 825 R HN 0.374 nan 8.270 nan 0.000 0.439 826 H N -1.084 118.017 119.070 0.052 0.000 2.547 826 H HA 0.121 4.678 4.556 0.001 0.000 0.266 826 H C 0.862 176.211 175.328 0.035 0.000 0.988 826 H CA 0.883 56.958 56.048 0.045 0.000 1.147 826 H CB 0.433 30.234 29.762 0.064 0.000 1.365 826 H HN 0.559 nan 8.280 nan 0.000 0.589 827 G N 1.574 110.439 108.800 0.108 0.000 2.273 827 G HA2 -0.305 3.655 3.960 0.001 0.000 0.280 827 G HA3 -0.305 3.655 3.960 0.001 0.000 0.280 827 G C 0.290 175.241 174.900 0.085 0.000 1.047 827 G CA 0.556 45.700 45.100 0.074 0.000 0.869 827 G HN 0.280 nan 8.290 nan 0.000 0.502 828 M N -1.184 118.481 119.600 0.108 0.000 2.513 828 M HA 0.479 4.959 4.480 0.001 0.000 0.291 828 M C 0.759 177.100 176.300 0.068 0.000 1.190 828 M CA -0.839 54.518 55.300 0.094 0.000 0.960 828 M CB 0.790 33.460 32.600 0.116 0.000 1.517 828 M HN 0.058 nan 8.290 nan 0.000 0.499 829 K N 1.185 121.620 120.400 0.057 0.000 2.447 829 K HA -0.019 4.301 4.320 0.001 0.000 0.281 829 K C 0.582 177.206 176.600 0.040 0.000 1.031 829 K CA 0.218 56.528 56.287 0.039 0.000 1.019 829 K CB 0.515 33.033 32.500 0.030 0.000 0.918 829 K HN 0.570 nan 8.250 nan 0.000 0.476 830 E N 1.840 122.057 120.200 0.028 0.000 2.219 830 E HA -0.237 4.114 4.350 0.001 0.000 0.198 830 E C 0.100 176.709 176.600 0.015 0.000 0.998 830 E CA 1.170 57.582 56.400 0.021 0.000 0.818 830 E CB 0.094 29.799 29.700 0.010 0.000 0.741 830 E HN 0.500 nan 8.360 nan 0.000 0.477 831 E N 0.237 120.447 120.200 0.016 0.000 2.248 831 E HA 0.164 4.515 4.350 0.001 0.000 0.272 831 E C -1.098 175.519 176.600 0.029 0.000 1.008 831 E CA -0.529 55.879 56.400 0.013 0.000 0.856 831 E CB 1.424 31.128 29.700 0.007 0.000 1.120 831 E HN -0.252 nan 8.360 nan 0.000 0.397 832 V N 5.544 125.478 119.914 0.033 0.000 2.488 832 V HA 0.259 4.379 4.120 0.001 0.000 0.277 832 V C -1.955 174.184 176.094 0.075 0.000 1.046 832 V CA -1.502 60.834 62.300 0.060 0.000 0.986 832 V CB 0.710 32.570 31.823 0.061 0.000 0.989 832 V HN 0.772 nan 8.190 nan 0.000 0.475 833 P HA 0.142 nan 4.420 nan 0.000 0.264 833 P C 0.429 177.821 177.300 0.153 0.000 1.183 833 P CA 0.421 63.584 63.100 0.106 0.000 0.763 833 P CB 0.442 32.249 31.700 0.179 0.000 0.807 834 G N 2.761 111.600 108.800 0.064 0.000 2.599 834 G HA2 0.081 4.042 3.960 0.001 0.000 0.264 834 G HA3 0.081 4.042 3.960 0.001 0.000 0.264 834 G C 0.878 175.866 174.900 0.147 0.000 1.200 834 G CA -0.653 44.494 45.100 0.078 0.000 0.896 834 G HN 0.709 nan 8.290 nan 0.000 0.536 835 W N 0.020 121.409 121.300 0.149 0.000 2.374 835 W HA -0.123 4.538 4.660 0.001 0.000 0.288 835 W C 1.470 178.112 176.519 0.206 0.000 1.218 835 W CA 0.889 58.368 57.345 0.223 0.000 1.245 835 W CB -0.738 28.806 29.460 0.141 0.000 1.126 835 W HN 0.504 nan 8.180 nan 0.000 0.545 836 Q N 1.344 120.680 119.800 -0.774 0.000 2.197 836 Q HA -0.227 4.114 4.340 0.001 0.000 0.207 836 Q C 1.934 177.794 176.000 -0.234 0.000 0.984 836 Q CA 2.566 57.954 55.803 -0.691 0.000 0.869 836 Q CB -0.622 27.640 28.738 -0.793 0.000 0.906 836 Q HN 0.360 nan 8.270 nan 0.000 0.426 837 E N -1.278 118.780 120.200 -0.237 0.000 2.204 837 E HA -0.164 4.187 4.350 0.001 0.000 0.195 837 E C 0.770 177.128 176.600 -0.404 0.000 0.990 837 E CA 1.065 57.238 56.400 -0.379 0.000 0.821 837 E CB 0.067 29.400 29.700 -0.612 0.000 0.750 837 E HN 0.543 nan 8.360 nan 0.000 0.477 838 Y N -2.560 117.806 120.300 0.111 0.000 2.462 838 Y HA 0.152 4.703 4.550 0.001 0.000 0.253 838 Y C 0.441 176.438 175.900 0.161 0.000 1.095 838 Y CA -0.503 57.676 58.100 0.133 0.000 1.283 838 Y CB 0.122 38.700 38.460 0.196 0.000 1.138 838 Y HN -0.031 nan 8.280 nan 0.000 0.522 839 Y N 1.933 122.360 120.300 0.212 0.000 2.330 839 Y HA 0.094 4.644 4.550 0.001 0.000 0.341 839 Y C 0.599 176.538 175.900 0.066 0.000 1.278 839 Y CA -0.926 57.290 58.100 0.193 0.000 1.453 839 Y CB 0.342 38.979 38.460 0.294 0.000 1.342 839 Y HN -0.036 nan 8.280 nan 0.000 0.590 840 D N 2.292 122.557 120.400 -0.225 0.000 2.488 840 D HA -0.017 4.623 4.640 0.001 0.000 0.238 840 D C -0.295 176.031 176.300 0.044 0.000 1.138 840 D CA 0.195 54.121 54.000 -0.122 0.000 0.873 840 D CB 0.697 41.363 40.800 -0.224 0.000 1.183 840 D HN 0.302 nan 8.370 nan 0.000 0.458 841 K N 3.557 123.960 120.400 0.005 0.000 3.245 841 K HA 0.072 4.392 4.320 0.001 0.000 0.285 841 K C -0.253 176.360 176.600 0.023 0.000 1.156 841 K CA -0.183 56.109 56.287 0.009 0.000 1.162 841 K CB -0.632 31.853 32.500 -0.025 0.000 1.365 841 K HN 0.329 nan 8.250 nan 0.000 0.316 842 L N 0.000 121.265 121.223 0.071 0.000 2.949 842 L HA 0.000 4.340 4.340 0.001 0.000 0.249 842 L CA 0.000 54.883 54.840 0.072 0.000 0.813 842 L CB 0.000 42.121 42.059 0.103 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502