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 2zit_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.197 176.094 0.172 0.000 1.182 2 V CA 0.000 62.382 62.300 0.137 0.000 1.235 2 V CB 0.000 31.970 31.823 0.245 0.000 1.184 3 A N 3.071 126.015 122.820 0.207 0.000 2.309 3 A HA 0.881 5.205 4.320 0.007 0.000 0.290 3 A C -1.181 176.604 177.584 0.336 0.000 1.206 3 A CA 0.058 52.208 52.037 0.190 0.000 0.850 3 A CB -0.001 19.042 19.000 0.071 0.000 1.118 3 A HN 0.611 nan 8.150 nan 0.000 0.523 4 F N 0.938 120.843 119.950 -0.075 0.000 2.546 4 F HA 0.546 5.078 4.527 0.007 0.000 0.320 4 F C 1.061 176.825 175.800 -0.061 0.000 1.076 4 F CA -0.548 57.400 58.000 -0.087 0.000 0.928 4 F CB 2.356 41.292 39.000 -0.106 0.000 1.189 4 F HN 0.661 nan 8.300 nan 0.000 0.465 5 T N -1.268 113.297 114.554 0.019 0.000 2.874 5 T HA 0.373 4.727 4.350 0.007 0.000 0.281 5 T C 1.061 175.784 174.700 0.037 0.000 0.994 5 T CA -0.722 61.382 62.100 0.005 0.000 1.015 5 T CB 1.223 70.062 68.868 -0.049 0.000 1.028 5 T HN 0.295 nan 8.240 nan 0.000 0.523 6 V N 1.244 121.174 119.914 0.027 0.000 2.469 6 V HA -0.155 3.969 4.120 0.007 0.000 0.251 6 V C 2.287 178.395 176.094 0.024 0.000 1.064 6 V CA 1.948 64.267 62.300 0.033 0.000 1.066 6 V CB -0.855 30.982 31.823 0.023 0.000 0.667 6 V HN 0.849 nan 8.190 nan 0.000 0.461 7 D N -0.283 120.118 120.400 0.002 0.000 2.117 7 D HA -0.160 4.484 4.640 0.007 0.000 0.198 7 D C 2.326 178.621 176.300 -0.008 0.000 0.982 7 D CA 1.147 55.141 54.000 -0.010 0.000 0.828 7 D CB -0.205 40.577 40.800 -0.029 0.000 0.967 7 D HN 0.523 nan 8.370 nan 0.000 0.464 8 Q N -0.399 119.389 119.800 -0.020 0.000 2.079 8 Q HA -0.076 4.268 4.340 0.007 0.000 0.200 8 Q C 2.240 178.308 176.000 0.113 0.000 0.974 8 Q CA 0.850 56.641 55.803 -0.020 0.000 0.840 8 Q CB -0.007 28.612 28.738 -0.199 0.000 0.898 8 Q HN 0.228 nan 8.270 nan 0.000 0.430 9 M N 0.191 119.880 119.600 0.149 0.000 2.065 9 M HA -0.172 4.312 4.480 0.007 0.000 0.259 9 M C 2.226 178.571 176.300 0.075 0.000 1.069 9 M CA 1.549 56.929 55.300 0.134 0.000 1.110 9 M CB -0.905 31.756 32.600 0.102 0.000 1.328 9 M HN 0.081 nan 8.290 nan 0.000 0.405 10 R N 0.486 121.015 120.500 0.048 0.000 2.083 10 R HA -0.114 4.230 4.340 0.007 0.000 0.237 10 R C 2.334 178.647 176.300 0.021 0.000 1.137 10 R CA 2.343 58.459 56.100 0.026 0.000 0.951 10 R CB -1.040 29.269 30.300 0.015 0.000 0.851 10 R HN 0.323 nan 8.270 nan 0.000 0.434 11 S N -0.912 114.801 115.700 0.020 0.000 2.469 11 S HA -0.067 4.407 4.470 0.007 0.000 0.238 11 S C 1.468 176.082 174.600 0.024 0.000 0.998 11 S CA 1.027 59.233 58.200 0.012 0.000 0.957 11 S CB -0.206 62.993 63.200 -0.002 0.000 0.764 11 S HN 0.376 nan 8.310 nan 0.000 0.514 12 L N 0.278 121.533 121.223 0.053 0.000 2.513 12 L HA 0.471 4.816 4.340 0.007 0.000 0.222 12 L C 1.788 178.681 176.870 0.038 0.000 1.096 12 L CA 1.004 55.885 54.840 0.068 0.000 0.857 12 L CB -0.246 41.896 42.059 0.139 0.000 1.026 12 L HN 0.324 nan 8.230 nan 0.000 0.469 13 M N -0.871 118.744 119.600 0.026 0.000 2.510 13 M HA 0.040 4.524 4.480 0.007 0.000 0.256 13 M C 1.207 177.504 176.300 -0.006 0.000 1.132 13 M CA 0.658 55.964 55.300 0.010 0.000 1.105 13 M CB -0.090 32.516 32.600 0.010 0.000 1.375 13 M HN 0.235 nan 8.290 nan 0.000 0.477 14 D N 0.481 120.877 120.400 -0.006 0.000 2.277 14 D HA -0.083 4.561 4.640 0.007 0.000 0.208 14 D C 0.375 176.662 176.300 -0.020 0.000 0.962 14 D CA 0.755 54.747 54.000 -0.013 0.000 0.865 14 D CB -0.268 40.525 40.800 -0.011 0.000 0.939 14 D HN 0.144 nan 8.370 nan 0.000 0.510 15 K N 0.905 121.291 120.400 -0.024 0.000 2.518 15 K HA 0.199 4.523 4.320 0.007 0.000 0.244 15 K C 0.604 177.181 176.600 -0.038 0.000 1.232 15 K CA -0.242 56.021 56.287 -0.040 0.000 1.189 15 K CB 1.112 33.574 32.500 -0.063 0.000 1.737 15 K HN -0.036 nan 8.250 nan 0.000 0.333 16 V N 0.734 120.631 119.914 -0.029 0.000 2.469 16 V HA -0.277 3.847 4.120 0.007 0.000 0.251 16 V C 2.438 178.524 176.094 -0.014 0.000 1.064 16 V CA 2.400 64.686 62.300 -0.024 0.000 1.066 16 V CB -0.895 30.910 31.823 -0.029 0.000 0.667 16 V HN 0.734 nan 8.190 nan 0.000 0.461 17 T N -1.536 113.008 114.554 -0.017 0.000 2.946 17 T HA -0.160 4.194 4.350 0.007 0.000 0.271 17 T C 1.094 175.810 174.700 0.026 0.000 1.104 17 T CA 1.661 63.762 62.100 0.001 0.000 1.114 17 T CB -0.445 68.419 68.868 -0.008 0.000 0.867 17 T HN 0.494 nan 8.240 nan 0.000 0.513 18 N N 0.597 119.287 118.700 -0.017 0.000 2.328 18 N HA 0.362 5.106 4.740 0.007 0.000 0.247 18 N C -1.062 174.513 175.510 0.108 0.000 1.165 18 N CA -0.210 52.832 53.050 -0.013 0.000 0.873 18 N CB 1.050 39.277 38.487 -0.433 0.000 1.125 18 N HN 0.292 nan 8.380 nan 0.000 0.513 19 V N 0.805 120.770 119.914 0.085 0.000 2.547 19 V HA 0.501 4.625 4.120 0.007 0.000 0.299 19 V C 0.053 176.190 176.094 0.071 0.000 1.040 19 V CA -0.819 61.524 62.300 0.072 0.000 0.913 19 V CB 2.110 33.944 31.823 0.020 0.000 0.992 19 V HN 0.062 nan 8.190 nan 0.000 0.449 20 R N 2.955 123.492 120.500 0.060 0.000 2.415 20 R HA 0.368 4.713 4.340 0.007 0.000 0.292 20 R C -0.899 175.413 176.300 0.019 0.000 1.295 20 R CA -0.599 55.523 56.100 0.037 0.000 1.137 20 R CB 0.678 30.997 30.300 0.031 0.000 1.135 20 R HN 0.578 nan 8.270 nan 0.000 0.560 21 N N 3.944 122.648 118.700 0.006 0.000 2.402 21 N HA 0.216 4.960 4.740 0.007 0.000 0.252 21 N C 0.010 175.528 175.510 0.013 0.000 1.118 21 N CA -0.033 53.018 53.050 0.002 0.000 0.945 21 N CB 0.826 39.296 38.487 -0.028 0.000 1.147 21 N HN 0.375 nan 8.380 nan 0.000 0.495 22 M N -0.948 118.663 119.600 0.020 0.000 2.569 22 M HA 0.613 5.097 4.480 0.007 0.000 0.279 22 M C -0.333 175.979 176.300 0.020 0.000 1.253 22 M CA -1.041 54.269 55.300 0.016 0.000 0.867 22 M CB 1.444 34.046 32.600 0.004 0.000 1.727 22 M HN 0.180 nan 8.290 nan 0.000 0.467 23 S N -0.172 115.536 115.700 0.013 0.000 2.709 23 S HA 0.956 5.430 4.470 0.007 0.000 0.302 23 S C -1.078 173.517 174.600 -0.008 0.000 1.127 23 S CA -0.885 57.321 58.200 0.010 0.000 0.905 23 S CB 1.851 65.064 63.200 0.022 0.000 1.151 23 S HN 0.822 nan 8.310 nan 0.000 0.510 24 V N 1.767 121.673 119.914 -0.013 0.000 2.334 24 V HA 0.394 4.518 4.120 0.007 0.000 0.281 24 V C -0.583 175.494 176.094 -0.028 0.000 1.016 24 V CA -0.558 61.727 62.300 -0.025 0.000 0.832 24 V CB 0.724 32.531 31.823 -0.027 0.000 0.999 24 V HN 0.778 nan 8.190 nan 0.000 0.439 25 I N 5.169 125.717 120.570 -0.036 0.000 2.308 25 I HA 0.647 4.822 4.170 0.007 0.000 0.293 25 I C 0.433 176.523 176.117 -0.046 0.000 1.078 25 I CA 0.250 61.524 61.300 -0.043 0.000 1.292 25 I CB 0.709 38.678 38.000 -0.053 0.000 1.423 25 I HN 0.701 nan 8.210 nan 0.000 0.493 26 A N 5.727 128.519 122.820 -0.046 0.000 2.566 26 A HA 0.368 4.693 4.320 0.007 0.000 0.297 26 A C -0.944 176.608 177.584 -0.052 0.000 1.059 26 A CA -0.637 51.376 52.037 -0.040 0.000 0.691 26 A CB 1.190 20.188 19.000 -0.004 0.000 1.282 26 A HN 0.675 nan 8.150 nan 0.000 0.401 27 H N 1.642 120.584 119.070 -0.213 0.000 2.790 27 H HA 0.201 4.762 4.556 0.008 0.000 0.358 27 H C 1.156 176.452 175.328 -0.053 0.000 1.103 27 H CA 1.061 56.985 56.048 -0.206 0.000 1.426 27 H CB 1.430 30.918 29.762 -0.457 0.000 1.424 27 H HN 0.336 nan 8.280 nan 0.000 0.599 28 V N 3.558 123.386 119.914 -0.143 0.000 2.407 28 V HA -0.219 3.906 4.120 0.007 0.000 0.248 28 V C 1.321 177.544 176.094 0.215 0.000 1.055 28 V CA 1.983 64.300 62.300 0.029 0.000 1.049 28 V CB -0.245 31.556 31.823 -0.036 0.000 0.662 28 V HN 0.714 nan 8.190 nan 0.000 0.455 29 D N -1.236 119.465 120.400 0.501 0.000 2.324 29 D HA -0.003 4.641 4.640 0.007 0.000 0.235 29 D C 1.128 177.642 176.300 0.356 0.000 1.095 29 D CA 0.458 54.680 54.000 0.370 0.000 0.871 29 D CB -0.072 40.928 40.800 0.333 0.000 0.906 29 D HN 0.510 nan 8.370 nan 0.000 0.522 30 H N -0.752 118.392 119.070 0.123 0.000 2.672 30 H HA 0.329 4.889 4.556 0.006 0.000 0.277 30 H C 1.345 176.678 175.328 0.009 0.000 1.074 30 H CA 0.120 56.194 56.048 0.044 0.000 1.173 30 H CB 0.729 30.520 29.762 0.049 0.000 1.558 30 H HN 0.109 nan 8.280 nan 0.000 0.539 31 G N 1.383 110.249 108.800 0.111 0.000 2.171 31 G HA2 -0.364 3.601 3.960 0.007 0.000 0.238 31 G HA3 -0.364 3.601 3.960 0.007 0.000 0.238 31 G C 1.378 176.295 174.900 0.028 0.000 1.039 31 G CA 0.647 45.768 45.100 0.035 0.000 0.759 31 G HN 0.481 nan 8.290 nan 0.000 0.501 32 K N 0.726 121.156 120.400 0.050 0.000 2.009 32 K HA -0.177 4.147 4.320 0.007 0.000 0.210 32 K C 2.843 179.442 176.600 -0.002 0.000 1.049 32 K CA 2.407 58.706 56.287 0.019 0.000 0.929 32 K CB -0.374 32.133 32.500 0.013 0.000 0.714 32 K HN 0.774 nan 8.250 nan 0.000 0.440 33 S N -0.404 115.295 115.700 -0.002 0.000 2.447 33 S HA -0.091 4.383 4.470 0.007 0.000 0.233 33 S C 1.836 176.429 174.600 -0.011 0.000 1.006 33 S CA 1.541 59.735 58.200 -0.010 0.000 0.957 33 S CB -0.479 62.714 63.200 -0.011 0.000 0.773 33 S HN 0.369 nan 8.310 nan 0.000 0.507 34 T N 2.831 117.378 114.554 -0.011 0.000 2.812 34 T HA 0.195 4.549 4.350 0.007 0.000 0.264 34 T C 1.709 176.394 174.700 -0.025 0.000 1.042 34 T CA 1.080 63.169 62.100 -0.018 0.000 1.140 34 T CB -0.412 68.439 68.868 -0.028 0.000 0.870 34 T HN 0.287 nan 8.240 nan 0.000 0.445 35 L N 0.806 122.009 121.223 -0.033 0.000 2.109 35 L HA -0.072 4.272 4.340 0.007 0.000 0.207 35 L C 2.875 179.728 176.870 -0.029 0.000 1.086 35 L CA 1.041 55.857 54.840 -0.041 0.000 0.760 35 L CB -0.905 41.121 42.059 -0.054 0.000 0.910 35 L HN 0.291 nan 8.230 nan 0.000 0.437 36 T N -0.929 113.612 114.554 -0.023 0.000 2.746 36 T HA -0.173 4.181 4.350 0.007 0.000 0.267 36 T C 1.402 176.096 174.700 -0.011 0.000 1.039 36 T CA 1.402 63.491 62.100 -0.018 0.000 1.142 36 T CB -0.208 68.649 68.868 -0.018 0.000 0.866 36 T HN 0.307 nan 8.240 nan 0.000 0.444 37 D N 0.848 121.244 120.400 -0.008 0.000 2.117 37 D HA -0.066 4.578 4.640 0.007 0.000 0.197 37 D C 2.328 178.632 176.300 0.007 0.000 0.987 37 D CA 1.023 55.023 54.000 0.001 0.000 0.829 37 D CB -0.585 40.217 40.800 0.003 0.000 0.961 37 D HN 0.282 nan 8.370 nan 0.000 0.460 38 S N -0.373 115.329 115.700 0.005 0.000 2.419 38 S HA -0.085 4.389 4.470 0.007 0.000 0.235 38 S C 2.031 176.638 174.600 0.011 0.000 1.019 38 S CA 0.573 58.781 58.200 0.013 0.000 0.982 38 S CB -0.167 63.038 63.200 0.008 0.000 0.789 38 S HN 0.180 nan 8.310 nan 0.000 0.490 39 L N 1.131 122.354 121.223 0.001 0.000 2.095 39 L HA -0.010 4.334 4.340 0.007 0.000 0.204 39 L C 2.535 179.409 176.870 0.008 0.000 1.080 39 L CA 1.271 56.110 54.840 -0.001 0.000 0.759 39 L CB -0.503 41.550 42.059 -0.011 0.000 0.914 39 L HN 0.400 nan 8.230 nan 0.000 0.439 40 V N -3.262 116.658 119.914 0.010 0.000 2.719 40 V HA -0.196 3.928 4.120 0.007 0.000 0.252 40 V C 1.996 178.105 176.094 0.024 0.000 1.065 40 V CA 1.251 63.561 62.300 0.016 0.000 1.086 40 V CB -0.582 31.249 31.823 0.014 0.000 0.700 40 V HN 0.500 nan 8.190 nan 0.000 0.467 41 Q N 0.067 119.882 119.800 0.026 0.000 2.472 41 Q HA -0.070 4.274 4.340 0.007 0.000 0.208 41 Q C 2.175 178.197 176.000 0.038 0.000 0.958 41 Q CA 0.952 56.774 55.803 0.033 0.000 0.932 41 Q CB 0.190 28.948 28.738 0.034 0.000 1.007 41 Q HN 0.706 nan 8.270 nan 0.000 0.508 42 R N -0.946 119.575 120.500 0.034 0.000 2.119 42 R HA 0.224 4.568 4.340 0.007 0.000 0.202 42 R C 1.064 177.392 176.300 0.047 0.000 1.114 42 R CA 1.359 57.483 56.100 0.039 0.000 1.089 42 R CB -0.231 30.087 30.300 0.030 0.000 1.000 42 R HN 0.050 nan 8.270 nan 0.000 0.487 43 A N 0.068 122.909 122.820 0.036 0.000 2.431 43 A HA 0.441 4.765 4.320 0.007 0.000 0.239 43 A C 0.679 178.284 177.584 0.035 0.000 1.230 43 A CA 0.026 52.091 52.037 0.047 0.000 0.928 43 A CB -0.022 18.991 19.000 0.021 0.000 1.006 43 A HN 0.362 nan 8.150 nan 0.000 0.520 44 G N 0.641 109.456 108.800 0.025 0.000 2.272 44 G HA2 0.374 4.338 3.960 0.007 0.000 0.247 44 G HA3 0.374 4.338 3.960 0.007 0.000 0.247 44 G C -0.082 174.812 174.900 -0.011 0.000 1.272 44 G CA 0.116 45.224 45.100 0.012 0.000 0.921 44 G HN 0.371 nan 8.290 nan 0.000 0.495 45 I N 2.637 123.179 120.570 -0.047 0.000 2.365 45 I HA 0.324 4.498 4.170 0.007 0.000 0.291 45 I C 0.298 176.393 176.117 -0.035 0.000 1.004 45 I CA -0.254 60.975 61.300 -0.117 0.000 1.311 45 I CB 1.157 39.018 38.000 -0.231 0.000 1.401 45 I HN 0.232 nan 8.210 nan 0.000 0.491 46 I N 4.391 124.955 120.570 -0.011 0.000 2.693 46 I HA 0.305 4.479 4.170 0.007 0.000 0.303 46 I C 0.155 176.288 176.117 0.027 0.000 1.025 46 I CA -0.705 60.602 61.300 0.011 0.000 1.086 46 I CB 2.244 40.247 38.000 0.006 0.000 1.268 46 I HN 0.545 nan 8.210 nan 0.000 0.440 47 S N 3.133 118.829 115.700 -0.007 0.000 2.499 47 S HA 0.743 5.217 4.470 0.007 0.000 0.279 47 S C -0.116 174.473 174.600 -0.018 0.000 1.219 47 S CA -0.715 57.487 58.200 0.004 0.000 1.062 47 S CB 1.564 64.755 63.200 -0.016 0.000 0.978 47 S HN 0.735 nan 8.310 nan 0.000 0.489 68 I N 3.680 124.294 120.570 0.074 0.000 2.337 68 I HA 0.360 4.534 4.170 0.007 0.000 0.285 68 I C 0.463 176.570 176.117 -0.016 0.000 1.041 68 I CA -0.420 60.887 61.300 0.012 0.000 1.199 68 I CB 1.386 39.403 38.000 0.027 0.000 1.370 68 I HN 0.368 nan 8.210 nan 0.000 0.470 69 T N 5.176 119.679 114.554 -0.085 0.000 2.922 69 T HA 0.775 5.129 4.350 0.007 0.000 0.285 69 T C -0.195 174.361 174.700 -0.241 0.000 1.005 69 T CA -0.618 61.369 62.100 -0.188 0.000 1.061 69 T CB 1.976 70.701 68.868 -0.238 0.000 1.007 69 T HN 0.490 nan 8.240 nan 0.000 0.502 70 I N -1.842 118.570 120.570 -0.263 0.000 3.042 70 I HA 0.602 4.776 4.170 0.007 0.000 0.310 70 I C -0.458 175.536 176.117 -0.206 0.000 1.117 70 I CA -1.643 59.518 61.300 -0.231 0.000 1.003 70 I CB 2.306 40.191 38.000 -0.190 0.000 1.228 70 I HN 0.680 nan 8.210 nan 0.000 0.443 71 K N 2.820 123.125 120.400 -0.159 0.000 2.416 71 K HA 0.113 4.437 4.320 0.007 0.000 0.283 71 K C 0.146 176.652 176.600 -0.156 0.000 1.037 71 K CA 0.038 56.240 56.287 -0.141 0.000 0.995 71 K CB 0.762 33.204 32.500 -0.097 0.000 0.938 71 K HN 0.749 nan 8.250 nan 0.000 0.475 72 S N 3.247 118.852 115.700 -0.158 0.000 2.596 72 S HA -0.024 4.450 4.470 0.007 0.000 0.298 72 S C 0.337 174.830 174.600 -0.178 0.000 1.255 72 S CA 0.197 58.306 58.200 -0.152 0.000 1.083 72 S CB 0.210 63.335 63.200 -0.125 0.000 0.837 72 S HN 0.752 nan 8.310 nan 0.000 0.499 73 T N 3.617 118.030 114.554 -0.234 0.000 2.966 73 T HA 0.525 4.879 4.350 0.007 0.000 0.254 73 T C -0.026 174.470 174.700 -0.340 0.000 0.961 73 T CA 0.380 62.254 62.100 -0.377 0.000 0.915 73 T CB 0.630 69.085 68.868 -0.687 0.000 1.186 73 T HN 0.833 nan 8.240 nan 0.000 0.505 74 A N 1.099 123.809 122.820 -0.184 0.000 2.589 74 A HA 0.776 5.100 4.320 0.007 0.000 0.296 74 A C -1.845 175.746 177.584 0.012 0.000 1.062 74 A CA -0.744 51.276 52.037 -0.029 0.000 0.686 74 A CB 1.057 20.140 19.000 0.138 0.000 1.282 74 A HN 0.279 nan 8.150 nan 0.000 0.404 75 I N 1.473 122.059 120.570 0.026 0.000 2.569 75 I HA 0.491 4.665 4.170 0.007 0.000 0.296 75 I C 0.353 176.491 176.117 0.034 0.000 1.028 75 I CA -0.742 60.573 61.300 0.026 0.000 1.082 75 I CB 2.464 40.470 38.000 0.010 0.000 1.264 75 I HN 0.680 nan 8.210 nan 0.000 0.429 76 S N 6.086 121.803 115.700 0.028 0.000 2.442 76 S HA 0.767 5.241 4.470 0.007 0.000 0.297 76 S C -0.817 173.781 174.600 -0.004 0.000 1.131 76 S CA -0.713 57.495 58.200 0.014 0.000 1.092 76 S CB 1.316 64.518 63.200 0.003 0.000 0.998 76 S HN 0.344 nan 8.310 nan 0.000 0.478 77 L N 3.043 124.270 121.223 0.006 0.000 2.362 77 L HA 0.547 4.891 4.340 0.007 0.000 0.271 77 L C -0.833 176.065 176.870 0.047 0.000 1.002 77 L CA -0.715 54.133 54.840 0.012 0.000 0.818 77 L CB 1.556 43.620 42.059 0.008 0.000 1.298 77 L HN 0.843 nan 8.230 nan 0.000 0.420 78 Y N 1.727 121.965 120.300 -0.104 0.000 2.352 78 Y HA 0.708 5.262 4.550 0.007 0.000 0.339 78 Y C -0.416 175.486 175.900 0.003 0.000 0.992 78 Y CA -0.407 57.639 58.100 -0.089 0.000 1.100 78 Y CB 1.922 40.239 38.460 -0.238 0.000 1.192 78 Y HN 0.550 nan 8.280 nan 0.000 0.458 79 S N 5.119 120.466 115.700 -0.588 0.000 2.614 79 S HA 0.387 4.861 4.470 0.007 0.000 0.288 79 S C -1.541 172.764 174.600 -0.491 0.000 1.137 79 S CA -0.694 57.245 58.200 -0.435 0.000 0.992 79 S CB 0.912 63.991 63.200 -0.201 0.000 1.026 79 S HN 0.831 nan 8.310 nan 0.000 0.486 80 E N 4.441 124.428 120.200 -0.355 0.000 2.183 80 E HA 0.653 5.007 4.350 0.007 0.000 0.271 80 E C -0.919 175.671 176.600 -0.017 0.000 0.919 80 E CA -0.490 55.832 56.400 -0.130 0.000 0.781 80 E CB 1.099 30.774 29.700 -0.042 0.000 1.140 80 E HN 0.667 nan 8.360 nan 0.000 0.402 81 M N 1.196 120.840 119.600 0.074 0.000 2.691 81 M HA 0.387 4.871 4.480 0.007 0.000 0.293 81 M C -0.493 175.849 176.300 0.070 0.000 1.259 81 M CA -0.957 54.368 55.300 0.042 0.000 0.827 81 M CB 2.328 34.920 32.600 -0.013 0.000 1.753 81 M HN 0.397 nan 8.290 nan 0.000 0.465 82 S N 0.364 116.087 115.700 0.039 0.000 2.632 82 S HA 0.122 4.596 4.470 0.007 0.000 0.267 82 S C 0.397 175.026 174.600 0.048 0.000 1.276 82 S CA -0.719 57.504 58.200 0.039 0.000 0.998 82 S CB 0.687 63.899 63.200 0.020 0.000 0.953 82 S HN 0.613 nan 8.310 nan 0.000 0.547 83 D N 1.402 121.827 120.400 0.040 0.000 2.178 83 D HA -0.110 4.535 4.640 0.007 0.000 0.201 83 D C 1.549 177.867 176.300 0.031 0.000 0.980 83 D CA 1.238 55.261 54.000 0.039 0.000 0.842 83 D CB -0.007 40.810 40.800 0.028 0.000 0.948 83 D HN 0.619 nan 8.370 nan 0.000 0.472 84 E N 0.551 120.764 120.200 0.022 0.000 2.106 84 E HA -0.126 4.228 4.350 0.007 0.000 0.192 84 E C 1.525 178.130 176.600 0.009 0.000 0.984 84 E CA 0.653 57.061 56.400 0.014 0.000 0.806 84 E CB 0.107 29.814 29.700 0.011 0.000 0.750 84 E HN 0.255 nan 8.360 nan 0.000 0.458 85 D N 0.592 120.996 120.400 0.007 0.000 2.117 85 D HA -0.119 4.525 4.640 0.007 0.000 0.198 85 D C 2.068 178.361 176.300 -0.012 0.000 0.982 85 D CA 0.864 54.856 54.000 -0.013 0.000 0.828 85 D CB -0.225 40.559 40.800 -0.026 0.000 0.967 85 D HN 0.033 nan 8.370 nan 0.000 0.464 86 V N 1.070 121.006 119.914 0.036 0.000 2.867 86 V HA -0.183 3.941 4.120 0.007 0.000 0.260 86 V C 2.033 178.153 176.094 0.042 0.000 1.099 86 V CA 1.287 63.636 62.300 0.081 0.000 1.122 86 V CB -0.510 31.406 31.823 0.155 0.000 0.708 86 V HN 0.184 nan 8.190 nan 0.000 0.490 87 K N -0.111 120.301 120.400 0.020 0.000 2.432 87 K HA -0.029 4.296 4.320 0.007 0.000 0.196 87 K C 1.791 178.385 176.600 -0.009 0.000 1.038 87 K CA 0.624 56.917 56.287 0.009 0.000 0.986 87 K CB 0.039 32.544 32.500 0.009 0.000 0.782 87 K HN 0.584 nan 8.250 nan 0.000 0.485 88 E N 0.668 120.851 120.200 -0.027 0.000 2.318 88 E HA 0.047 4.402 4.350 0.007 0.000 0.193 88 E C 0.113 176.657 176.600 -0.093 0.000 0.998 88 E CA 0.036 56.404 56.400 -0.053 0.000 0.859 88 E CB 0.233 29.897 29.700 -0.061 0.000 0.812 88 E HN 0.233 nan 8.360 nan 0.000 0.492 89 I N 3.589 124.107 120.570 -0.086 0.000 2.581 89 I HA -0.064 4.110 4.170 0.007 0.000 0.285 89 I C 0.860 176.943 176.117 -0.057 0.000 1.129 89 I CA 0.358 61.597 61.300 -0.102 0.000 1.397 89 I CB 0.268 38.239 38.000 -0.048 0.000 1.399 89 I HN 0.005 nan 8.210 nan 0.000 0.537 90 K N 7.633 127.990 120.400 -0.071 0.000 3.277 90 K HA 0.170 4.494 4.320 0.007 0.000 0.280 90 K C -0.234 176.364 176.600 -0.004 0.000 1.182 90 K CA -0.394 55.876 56.287 -0.028 0.000 1.219 90 K CB -0.112 32.375 32.500 -0.022 0.000 1.373 90 K HN 0.760 nan 8.250 nan 0.000 0.392 91 Q N -0.416 119.386 119.800 0.004 0.000 2.527 91 Q HA 0.249 4.593 4.340 0.007 0.000 0.280 91 Q C -1.490 174.527 176.000 0.029 0.000 0.977 91 Q CA -1.390 54.427 55.803 0.022 0.000 0.837 91 Q CB 0.798 29.555 28.738 0.031 0.000 1.454 91 Q HN -0.013 nan 8.270 nan 0.000 0.387 92 K N 1.226 121.642 120.400 0.027 0.000 2.530 92 K HA 0.160 4.485 4.320 0.007 0.000 0.280 92 K C -1.113 175.507 176.600 0.033 0.000 1.004 92 K CA 1.146 57.447 56.287 0.023 0.000 1.071 92 K CB 0.270 32.779 32.500 0.015 0.000 0.876 92 K HN 0.698 nan 8.250 nan 0.000 0.487 93 T N 3.361 117.933 114.554 0.030 0.000 2.883 93 T HA 0.395 4.749 4.350 0.007 0.000 0.296 93 T C -1.489 173.203 174.700 -0.012 0.000 1.117 93 T CA -0.816 61.303 62.100 0.032 0.000 1.006 93 T CB 1.471 70.396 68.868 0.096 0.000 1.191 93 T HN 0.563 nan 8.240 nan 0.000 0.508 94 D N -0.081 120.279 120.400 -0.067 0.000 2.365 94 D HA 0.518 5.162 4.640 0.007 0.000 0.235 94 D C 0.154 176.369 176.300 -0.143 0.000 1.368 94 D CA 0.823 54.775 54.000 -0.080 0.000 1.001 94 D CB 0.210 40.972 40.800 -0.064 0.000 1.364 94 D HN 1.042 nan 8.370 nan 0.000 0.577 95 G N 2.975 111.709 108.800 -0.111 0.000 2.710 95 G HA2 -0.202 3.762 3.960 0.007 0.000 0.668 95 G HA3 -0.202 3.762 3.960 0.007 0.000 0.668 95 G C 0.141 174.930 174.900 -0.186 0.000 1.320 95 G CA -0.570 44.455 45.100 -0.125 0.000 0.860 95 G HN 0.423 nan 8.290 nan 0.000 0.538 96 N N -0.162 118.471 118.700 -0.111 0.000 2.203 96 N HA 0.267 5.011 4.740 0.007 0.000 0.207 96 N C 0.325 175.810 175.510 -0.043 0.000 1.130 96 N CA 0.607 53.658 53.050 0.002 0.000 0.861 96 N CB 0.835 39.374 38.487 0.088 0.000 1.005 96 N HN 0.536 nan 8.380 nan 0.000 0.507 97 S N 0.403 115.951 115.700 -0.253 0.000 2.541 97 S HA 0.570 5.044 4.470 0.007 0.000 0.283 97 S C -0.660 173.654 174.600 -0.476 0.000 1.196 97 S CA -0.358 57.779 58.200 -0.105 0.000 1.062 97 S CB 0.793 64.085 63.200 0.152 0.000 1.009 97 S HN 0.044 nan 8.310 nan 0.000 0.502 98 F N 1.813 121.745 119.950 -0.029 0.000 2.562 98 F HA 0.436 4.968 4.527 0.008 0.000 0.319 98 F C -0.524 175.280 175.800 0.006 0.000 1.154 98 F CA -0.891 57.092 58.000 -0.029 0.000 0.931 98 F CB 1.216 40.166 39.000 -0.083 0.000 1.198 98 F HN 0.318 nan 8.300 nan 0.000 0.444 99 L N 5.150 126.477 121.223 0.174 0.000 2.276 99 L HA 0.608 4.952 4.340 0.007 0.000 0.286 99 L C -0.776 176.151 176.870 0.094 0.000 1.061 99 L CA -0.193 54.722 54.840 0.124 0.000 0.807 99 L CB 0.507 42.615 42.059 0.082 0.000 1.177 99 L HN 0.483 nan 8.230 nan 0.000 0.429 100 I N 5.383 125.992 120.570 0.064 0.000 2.411 100 I HA 0.314 4.488 4.170 0.007 0.000 0.284 100 I C -0.560 175.576 176.117 0.031 0.000 1.012 100 I CA -0.564 60.760 61.300 0.040 0.000 1.119 100 I CB 1.120 39.132 38.000 0.019 0.000 1.261 100 I HN 0.526 nan 8.210 nan 0.000 0.448 101 N N 6.600 125.319 118.700 0.032 0.000 2.469 101 N HA 0.199 4.943 4.740 0.007 0.000 0.239 101 N C -0.717 174.819 175.510 0.043 0.000 1.053 101 N CA -0.461 52.615 53.050 0.042 0.000 0.937 101 N CB 1.733 40.246 38.487 0.043 0.000 1.163 101 N HN 0.383 nan 8.380 nan 0.000 0.509 102 L N 5.032 126.278 121.223 0.038 0.000 2.302 102 L HA 0.411 4.755 4.340 0.007 0.000 0.285 102 L C -0.280 176.614 176.870 0.041 0.000 1.090 102 L CA -0.293 54.564 54.840 0.028 0.000 0.866 102 L CB -0.215 41.851 42.059 0.011 0.000 1.244 102 L HN 0.353 nan 8.230 nan 0.000 0.435 103 I N 3.766 124.373 120.570 0.061 0.000 2.396 103 I HA 0.082 4.256 4.170 0.007 0.000 0.289 103 I C 0.460 176.593 176.117 0.026 0.000 1.056 103 I CA -0.484 60.866 61.300 0.083 0.000 1.365 103 I CB 0.594 38.685 38.000 0.153 0.000 1.407 103 I HN 0.541 nan 8.210 nan 0.000 0.509 104 D N 5.082 125.468 120.400 -0.023 0.000 2.472 104 D HA 0.046 4.690 4.640 0.007 0.000 0.237 104 D C -0.515 175.768 176.300 -0.029 0.000 1.141 104 D CA 0.681 54.652 54.000 -0.048 0.000 0.875 104 D CB 0.773 41.514 40.800 -0.100 0.000 1.192 104 D HN 0.413 nan 8.370 nan 0.000 0.450 105 S N 2.604 118.286 115.700 -0.030 0.000 2.568 105 S HA 0.590 5.064 4.470 0.007 0.000 0.302 105 S C -2.343 172.231 174.600 -0.042 0.000 1.082 105 S CA -1.184 57.007 58.200 -0.016 0.000 1.009 105 S CB 1.728 64.925 63.200 -0.006 0.000 1.069 105 S HN 0.435 nan 8.310 nan 0.000 0.500 106 P HA 0.172 nan 4.420 nan 0.000 0.270 106 P C 0.704 177.971 177.300 -0.055 0.000 1.227 106 P CA -0.139 62.911 63.100 -0.083 0.000 0.788 106 P CB 0.259 31.978 31.700 0.032 0.000 0.926 107 G N -1.007 107.735 108.800 -0.096 0.000 3.042 107 G HA2 0.005 3.969 3.960 0.007 0.000 0.212 107 G HA3 0.005 3.969 3.960 0.007 0.000 0.212 107 G C 0.196 175.194 174.900 0.164 0.000 1.166 107 G CA 0.608 45.706 45.100 -0.002 0.000 0.767 107 G HN 0.602 nan 8.290 nan 0.000 0.546 108 H N -1.363 117.822 119.070 0.192 0.000 3.094 108 H HA 0.087 4.647 4.556 0.007 0.000 0.335 108 H C 0.407 175.883 175.328 0.246 0.000 1.254 108 H CA -0.602 55.564 56.048 0.195 0.000 1.240 108 H CB 1.824 31.722 29.762 0.226 0.000 1.936 108 H HN -0.184 nan 8.280 nan 0.000 0.536 109 V N 2.266 122.094 119.914 -0.144 0.000 2.392 109 V HA -0.253 3.871 4.120 0.007 0.000 0.249 109 V C 1.709 177.855 176.094 0.087 0.000 1.059 109 V CA 2.322 64.650 62.300 0.047 0.000 1.051 109 V CB -0.320 31.493 31.823 -0.016 0.000 0.658 109 V HN 0.694 nan 8.190 nan 0.000 0.455 110 D N 0.051 120.533 120.400 0.137 0.000 2.220 110 D HA -0.198 4.446 4.640 0.007 0.000 0.198 110 D C 1.115 177.250 176.300 -0.276 0.000 1.001 110 D CA 1.385 55.300 54.000 -0.140 0.000 0.875 110 D CB -0.373 40.266 40.800 -0.268 0.000 0.921 110 D HN 0.548 nan 8.370 nan 0.000 0.454 111 F N 1.073 121.056 119.950 0.055 0.000 2.727 111 F HA 0.100 4.631 4.527 0.007 0.000 0.349 111 F C 1.868 177.690 175.800 0.036 0.000 1.172 111 F CA -0.312 57.717 58.000 0.048 0.000 1.355 111 F CB -0.423 38.625 39.000 0.080 0.000 1.546 111 F HN -0.233 nan 8.300 nan 0.000 0.596 112 S N -0.398 115.303 115.700 0.002 0.000 2.359 112 S HA -0.230 4.244 4.470 0.007 0.000 0.224 112 S C 2.338 177.004 174.600 0.111 0.000 1.035 112 S CA 1.727 59.880 58.200 -0.078 0.000 1.018 112 S CB -0.283 62.480 63.200 -0.728 0.000 0.876 112 S HN 0.517 nan 8.310 nan 0.000 0.448 113 S N 1.775 117.512 115.700 0.062 0.000 2.383 113 S HA -0.192 4.282 4.470 0.007 0.000 0.229 113 S C 1.909 176.684 174.600 0.292 0.000 1.030 113 S CA 1.565 59.818 58.200 0.089 0.000 1.002 113 S CB -0.371 62.836 63.200 0.012 0.000 0.829 113 S HN 0.834 nan 8.310 nan 0.000 0.467 114 E N 0.459 120.849 120.200 0.317 0.000 2.447 114 E HA 0.099 4.453 4.350 0.007 0.000 0.195 114 E C 1.593 178.327 176.600 0.223 0.000 1.028 114 E CA 0.284 56.855 56.400 0.285 0.000 0.876 114 E CB -0.193 29.637 29.700 0.218 0.000 0.885 114 E HN 0.279 nan 8.360 nan 0.000 0.500 115 V N 1.791 121.848 119.914 0.239 0.000 2.358 115 V HA -0.212 3.912 4.120 0.007 0.000 0.246 115 V C 2.207 178.410 176.094 0.183 0.000 1.047 115 V CA 2.255 64.683 62.300 0.213 0.000 1.035 115 V CB -0.562 31.440 31.823 0.298 0.000 0.658 115 V HN 0.385 nan 8.190 nan 0.000 0.452 116 T N 0.353 115.036 114.554 0.216 0.000 2.867 116 T HA -0.066 4.288 4.350 0.007 0.000 0.268 116 T C 2.074 176.874 174.700 0.166 0.000 1.057 116 T CA 1.310 63.508 62.100 0.163 0.000 1.136 116 T CB -0.339 68.631 68.868 0.169 0.000 0.874 116 T HN 0.545 nan 8.240 nan 0.000 0.466 117 A N 1.657 124.612 122.820 0.225 0.000 1.877 117 A HA 0.129 4.453 4.320 0.007 0.000 0.216 117 A C 2.649 180.365 177.584 0.220 0.000 1.186 117 A CA 1.847 54.043 52.037 0.266 0.000 0.620 117 A CB -1.140 18.045 19.000 0.308 0.000 0.822 117 A HN 0.507 nan 8.150 nan 0.000 0.443 118 A N -0.280 122.649 122.820 0.181 0.000 1.873 118 A HA 0.004 4.328 4.320 0.007 0.000 0.215 118 A C 2.151 179.803 177.584 0.114 0.000 1.186 118 A CA 1.428 53.558 52.037 0.155 0.000 0.616 118 A CB -0.653 18.415 19.000 0.113 0.000 0.823 118 A HN 0.464 nan 8.150 nan 0.000 0.442 119 L N -1.151 120.123 121.223 0.086 0.000 2.131 119 L HA -0.155 4.189 4.340 0.007 0.000 0.210 119 L C 2.726 179.623 176.870 0.044 0.000 1.092 119 L CA 1.640 56.510 54.840 0.050 0.000 0.759 119 L CB -0.424 41.648 42.059 0.022 0.000 0.903 119 L HN 0.431 nan 8.230 nan 0.000 0.435 120 R N 0.422 120.950 120.500 0.046 0.000 2.148 120 R HA -0.098 4.246 4.340 0.007 0.000 0.227 120 R C 1.715 178.012 176.300 -0.004 0.000 1.103 120 R CA 1.242 57.333 56.100 -0.014 0.000 0.983 120 R CB 0.102 30.368 30.300 -0.056 0.000 0.874 120 R HN 0.392 nan 8.270 nan 0.000 0.451 121 V N -1.807 118.142 119.914 0.057 0.000 3.542 121 V HA 0.240 4.364 4.120 0.007 0.000 0.296 121 V C 0.328 176.455 176.094 0.056 0.000 1.364 121 V CA 0.085 62.436 62.300 0.086 0.000 1.118 121 V CB -0.227 31.643 31.823 0.078 0.000 0.972 121 V HN 0.242 nan 8.190 nan 0.000 0.430 122 T N -3.481 111.110 114.554 0.062 0.000 2.948 122 T HA 0.613 4.967 4.350 0.007 0.000 0.285 122 T C 0.046 174.773 174.700 0.046 0.000 1.019 122 T CA -0.142 61.984 62.100 0.044 0.000 1.013 122 T CB 2.442 71.337 68.868 0.044 0.000 1.117 122 T HN 0.142 nan 8.240 nan 0.000 0.533 123 D N -0.196 120.225 120.400 0.035 0.000 2.461 123 D HA 0.263 4.907 4.640 0.007 0.000 0.266 123 D C 0.958 177.293 176.300 0.058 0.000 1.085 123 D CA 0.280 54.307 54.000 0.045 0.000 0.887 123 D CB 0.428 41.240 40.800 0.020 0.000 1.309 123 D HN 0.803 nan 8.370 nan 0.000 0.498 124 G N -0.234 108.588 108.800 0.036 0.000 2.644 124 G HA2 0.692 4.656 3.960 0.007 0.000 0.307 124 G HA3 0.692 4.656 3.960 0.007 0.000 0.307 124 G C -1.356 173.547 174.900 0.006 0.000 1.250 124 G CA -0.498 44.617 45.100 0.024 0.000 0.996 124 G HN 0.161 nan 8.290 nan 0.000 0.489 125 A N -0.211 122.602 122.820 -0.012 0.000 2.459 125 A HA 0.572 4.896 4.320 0.007 0.000 0.296 125 A C -1.463 176.093 177.584 -0.047 0.000 1.039 125 A CA -0.546 51.475 52.037 -0.026 0.000 0.698 125 A CB 1.782 20.764 19.000 -0.030 0.000 1.261 125 A HN 1.255 nan 8.150 nan 0.000 0.405 126 L N 3.885 125.078 121.223 -0.050 0.000 2.288 126 L HA 0.533 4.878 4.340 0.007 0.000 0.283 126 L C -0.738 176.089 176.870 -0.071 0.000 1.072 126 L CA -0.117 54.681 54.840 -0.070 0.000 0.862 126 L CB 0.750 42.770 42.059 -0.066 0.000 1.245 126 L HN 0.405 nan 8.230 nan 0.000 0.432 127 V N 6.078 125.941 119.914 -0.085 0.000 2.389 127 V HA 0.226 4.351 4.120 0.007 0.000 0.264 127 V C 0.285 176.333 176.094 -0.077 0.000 1.049 127 V CA -0.567 61.687 62.300 -0.078 0.000 0.932 127 V CB 0.995 32.769 31.823 -0.083 0.000 1.011 127 V HN 0.450 nan 8.190 nan 0.000 0.475 128 V N 6.559 126.444 119.914 -0.049 0.000 2.432 128 V HA 0.378 4.502 4.120 0.007 0.000 0.271 128 V C 0.146 176.264 176.094 0.040 0.000 1.046 128 V CA -0.202 62.086 62.300 -0.021 0.000 0.945 128 V CB 1.438 33.264 31.823 0.005 0.000 0.992 128 V HN 0.618 nan 8.190 nan 0.000 0.471 129 V N 3.529 123.472 119.914 0.048 0.000 2.769 129 V HA 0.411 4.535 4.120 0.007 0.000 0.312 129 V C -0.319 175.860 176.094 0.141 0.000 1.061 129 V CA -0.802 61.571 62.300 0.121 0.000 0.931 129 V CB 2.314 34.165 31.823 0.046 0.000 1.010 129 V HN 0.900 nan 8.190 nan 0.000 0.433 130 D N 1.756 122.262 120.400 0.177 0.000 2.339 130 D HA 0.247 4.891 4.640 0.007 0.000 0.245 130 D C 1.104 177.435 176.300 0.052 0.000 1.115 130 D CA 0.275 54.248 54.000 -0.045 0.000 0.917 130 D CB 1.875 42.498 40.800 -0.295 0.000 1.192 130 D HN 0.585 nan 8.370 nan 0.000 0.428 131 T N 2.655 117.247 114.554 0.062 0.000 2.698 131 T HA -0.064 4.291 4.350 0.007 0.000 0.260 131 T C 1.754 176.495 174.700 0.068 0.000 1.044 131 T CA 0.563 62.756 62.100 0.156 0.000 1.149 131 T CB -0.012 68.975 68.868 0.199 0.000 0.864 131 T HN 0.374 nan 8.240 nan 0.000 0.419 132 I N 1.462 122.043 120.570 0.018 0.000 2.188 132 I HA 0.011 4.185 4.170 0.007 0.000 0.237 132 I C 2.369 178.490 176.117 0.007 0.000 1.073 132 I CA 1.345 62.646 61.300 0.002 0.000 1.359 132 I CB -1.397 36.598 38.000 -0.008 0.000 1.083 132 I HN 0.321 nan 8.210 nan 0.000 0.412 133 E N 0.663 120.860 120.200 -0.006 0.000 2.338 133 E HA 0.041 4.395 4.350 0.007 0.000 0.197 133 E C 1.389 178.019 176.600 0.051 0.000 1.007 133 E CA 0.570 56.980 56.400 0.017 0.000 0.849 133 E CB -0.112 29.596 29.700 0.013 0.000 0.774 133 E HN 0.605 nan 8.360 nan 0.000 0.506 134 G N 0.714 109.552 108.800 0.063 0.000 2.550 134 G HA2 -0.338 3.626 3.960 0.007 0.000 0.277 134 G HA3 -0.338 3.626 3.960 0.007 0.000 0.277 134 G C 0.006 174.972 174.900 0.109 0.000 1.190 134 G CA -0.119 45.030 45.100 0.082 0.000 0.971 134 G HN 0.145 nan 8.290 nan 0.000 0.559 135 V N 1.730 121.686 119.914 0.070 0.000 2.432 135 V HA 0.428 4.552 4.120 0.007 0.000 0.271 135 V C 1.526 177.638 176.094 0.030 0.000 1.046 135 V CA -0.195 62.133 62.300 0.048 0.000 0.945 135 V CB -0.059 31.776 31.823 0.021 0.000 0.992 135 V HN 1.353 nan 8.190 nan 0.000 0.471 136 C N 4.642 123.942 119.300 0.001 0.000 2.480 136 C HA 0.525 4.989 4.460 0.007 0.000 0.358 136 C C 1.863 176.838 174.990 -0.025 0.000 1.309 136 C CA -0.449 58.551 59.018 -0.029 0.000 2.465 136 C CB 0.561 28.229 27.740 -0.119 0.000 2.379 136 C HN 0.636 nan 8.230 nan 0.000 0.642 137 V N 1.451 121.359 119.914 -0.011 0.000 2.392 137 V HA -0.237 3.887 4.120 0.007 0.000 0.249 137 V C 2.759 178.847 176.094 -0.011 0.000 1.059 137 V CA 2.510 64.809 62.300 -0.002 0.000 1.051 137 V CB -1.424 30.405 31.823 0.010 0.000 0.658 137 V HN 1.048 nan 8.190 nan 0.000 0.455 138 Q N 0.355 120.152 119.800 -0.005 0.000 1.967 138 Q HA -0.234 4.110 4.340 0.007 0.000 0.202 138 Q C 2.271 178.242 176.000 -0.049 0.000 0.985 138 Q CA 2.641 58.430 55.803 -0.024 0.000 0.839 138 Q CB -0.449 28.281 28.738 -0.014 0.000 0.906 138 Q HN 0.579 nan 8.270 nan 0.000 0.423 139 T N 1.076 115.595 114.554 -0.058 0.000 2.778 139 T HA -0.232 4.123 4.350 0.007 0.000 0.269 139 T C 1.551 176.206 174.700 -0.074 0.000 1.050 139 T CA 1.657 63.712 62.100 -0.075 0.000 1.137 139 T CB -0.276 68.538 68.868 -0.090 0.000 0.860 139 T HN 0.507 nan 8.240 nan 0.000 0.468 140 E N 0.328 120.492 120.200 -0.059 0.000 2.072 140 E HA -0.147 4.207 4.350 0.007 0.000 0.191 140 E C 2.098 178.634 176.600 -0.108 0.000 0.985 140 E CA 1.401 57.766 56.400 -0.059 0.000 0.801 140 E CB -0.089 29.596 29.700 -0.026 0.000 0.750 140 E HN 0.378 nan 8.360 nan 0.000 0.452 141 T N 0.453 114.944 114.554 -0.106 0.000 2.737 141 T HA -0.102 4.252 4.350 0.007 0.000 0.265 141 T C 1.932 176.471 174.700 -0.267 0.000 1.038 141 T CA 1.309 63.313 62.100 -0.160 0.000 1.144 141 T CB -0.178 68.659 68.868 -0.050 0.000 0.866 141 T HN 0.035 nan 8.240 nan 0.000 0.434 142 V N 1.694 121.489 119.914 -0.199 0.000 2.392 142 V HA -0.117 4.007 4.120 0.007 0.000 0.249 142 V C 2.389 178.351 176.094 -0.221 0.000 1.059 142 V CA 1.184 63.347 62.300 -0.228 0.000 1.051 142 V CB -0.685 31.071 31.823 -0.112 0.000 0.658 142 V HN 0.310 nan 8.190 nan 0.000 0.455 143 L N 1.257 122.376 121.223 -0.173 0.000 2.056 143 L HA -0.140 4.205 4.340 0.007 0.000 0.207 143 L C 2.677 179.443 176.870 -0.173 0.000 1.078 143 L CA 2.048 56.804 54.840 -0.140 0.000 0.749 143 L CB -0.826 41.176 42.059 -0.096 0.000 0.901 143 L HN 0.393 nan 8.230 nan 0.000 0.433 144 R N -1.114 119.226 120.500 -0.268 0.000 2.189 144 R HA -0.099 4.245 4.340 0.007 0.000 0.218 144 R C 1.659 177.761 176.300 -0.331 0.000 1.074 144 R CA 0.923 56.798 56.100 -0.375 0.000 0.991 144 R CB -0.524 29.266 30.300 -0.850 0.000 0.883 144 R HN 0.468 nan 8.270 nan 0.000 0.457 145 Q N 0.891 120.475 119.800 -0.360 0.000 2.083 145 Q HA 0.067 4.411 4.340 0.007 0.000 0.198 145 Q C 2.208 178.089 176.000 -0.199 0.000 0.969 145 Q CA 1.721 57.316 55.803 -0.346 0.000 0.838 145 Q CB -0.263 28.140 28.738 -0.559 0.000 0.900 145 Q HN 0.482 nan 8.270 nan 0.000 0.436 146 A N 0.939 123.660 122.820 -0.164 0.000 1.933 146 A HA -0.118 4.206 4.320 0.007 0.000 0.218 146 A C 2.224 179.771 177.584 -0.062 0.000 1.175 146 A CA 1.007 52.990 52.037 -0.090 0.000 0.628 146 A CB -0.676 18.279 19.000 -0.076 0.000 0.814 146 A HN 0.300 nan 8.150 nan 0.000 0.444 147 L N -0.816 120.364 121.223 -0.072 0.000 2.141 147 L HA -0.089 4.255 4.340 0.007 0.000 0.209 147 L C 2.732 179.586 176.870 -0.028 0.000 1.094 147 L CA 0.914 55.733 54.840 -0.036 0.000 0.763 147 L CB -0.672 41.383 42.059 -0.006 0.000 0.908 147 L HN 0.494 nan 8.230 nan 0.000 0.437 148 G N -0.716 108.050 108.800 -0.056 0.000 2.443 148 G HA2 -0.170 3.794 3.960 0.007 0.000 0.219 148 G HA3 -0.170 3.794 3.960 0.007 0.000 0.219 148 G C 1.350 176.234 174.900 -0.027 0.000 1.131 148 G CA 0.232 45.305 45.100 -0.044 0.000 0.775 148 G HN 0.261 nan 8.290 nan 0.000 0.547 149 E N 0.229 120.412 120.200 -0.027 0.000 2.489 149 E HA 0.084 4.439 4.350 0.007 0.000 0.193 149 E C 0.467 177.090 176.600 0.039 0.000 1.057 149 E CA -0.253 56.146 56.400 -0.003 0.000 0.866 149 E CB 0.083 29.777 29.700 -0.011 0.000 0.916 149 E HN 0.399 nan 8.360 nan 0.000 0.500 150 R N 0.774 121.297 120.500 0.038 0.000 3.261 150 R HA -0.136 4.209 4.340 0.007 0.000 0.257 150 R C -0.426 175.955 176.300 0.134 0.000 1.014 150 R CA 0.332 56.480 56.100 0.080 0.000 0.681 150 R CB -1.671 28.728 30.300 0.165 0.000 1.155 150 R HN 0.075 nan 8.270 nan 0.000 0.424 151 I N 1.106 121.713 120.570 0.061 0.000 2.321 151 I HA 0.173 4.348 4.170 0.007 0.000 0.291 151 I C 0.806 176.940 176.117 0.028 0.000 0.998 151 I CA -0.533 60.803 61.300 0.061 0.000 1.227 151 I CB 1.476 39.490 38.000 0.023 0.000 1.368 151 I HN 0.101 nan 8.210 nan 0.000 0.466 152 K N 8.825 129.254 120.400 0.048 0.000 2.339 152 K HA 0.326 4.650 4.320 0.007 0.000 0.286 152 K C -2.471 174.119 176.600 -0.016 0.000 1.050 152 K CA -1.077 55.215 56.287 0.009 0.000 0.956 152 K CB 0.855 33.376 32.500 0.036 0.000 0.990 152 K HN 0.311 nan 8.250 nan 0.000 0.475 153 P HA 0.177 nan 4.420 nan 0.000 0.293 153 P C -1.230 176.007 177.300 -0.105 0.000 1.291 153 P CA -0.694 62.362 63.100 -0.073 0.000 0.867 153 P CB 1.621 33.271 31.700 -0.084 0.000 1.074 154 V N 0.313 120.158 119.914 -0.115 0.000 2.656 154 V HA 0.623 4.747 4.120 0.007 0.000 0.307 154 V C -0.438 175.549 176.094 -0.179 0.000 1.051 154 V CA -0.956 61.247 62.300 -0.162 0.000 0.893 154 V CB 1.753 33.490 31.823 -0.145 0.000 0.999 154 V HN 0.228 nan 8.190 nan 0.000 0.426 155 V N 4.089 123.862 119.914 -0.235 0.000 2.612 155 V HA 0.718 4.843 4.120 0.007 0.000 0.301 155 V C -0.128 175.782 176.094 -0.307 0.000 1.046 155 V CA -0.475 61.682 62.300 -0.239 0.000 0.946 155 V CB 1.833 33.510 31.823 -0.244 0.000 1.003 155 V HN 0.992 nan 8.190 nan 0.000 0.459 156 V N 5.905 125.661 119.914 -0.264 0.000 2.488 156 V HA 0.504 4.628 4.120 0.007 0.000 0.293 156 V C -0.473 175.477 176.094 -0.239 0.000 1.027 156 V CA -0.355 61.757 62.300 -0.314 0.000 0.862 156 V CB 1.498 33.178 31.823 -0.239 0.000 1.008 156 V HN 0.741 nan 8.190 nan 0.000 0.428 157 I N 6.530 126.924 120.570 -0.293 0.000 2.329 157 I HA 0.258 4.432 4.170 0.007 0.000 0.295 157 I C 0.555 176.636 176.117 -0.060 0.000 1.109 157 I CA 0.174 61.417 61.300 -0.094 0.000 1.297 157 I CB 0.361 38.383 38.000 0.037 0.000 1.433 157 I HN 0.645 nan 8.210 nan 0.000 0.509 158 N N 5.533 124.200 118.700 -0.055 0.000 2.405 158 N HA 0.233 4.978 4.740 0.007 0.000 0.269 158 N C 0.306 175.778 175.510 -0.063 0.000 1.249 158 N CA -0.203 52.787 53.050 -0.099 0.000 0.974 158 N CB 0.652 39.082 38.487 -0.095 0.000 1.204 158 N HN 0.319 nan 8.380 nan 0.000 0.565 159 K N -0.914 119.421 120.400 -0.108 0.000 3.281 159 K HA -0.128 4.196 4.320 0.007 0.000 0.295 159 K C 0.705 177.329 176.600 0.041 0.000 1.233 159 K CA 0.435 56.684 56.287 -0.063 0.000 0.866 159 K CB -2.169 30.273 32.500 -0.098 0.000 1.265 159 K HN 0.308 nan 8.250 nan 0.000 0.482 160 V N 0.807 120.769 119.914 0.081 0.000 2.594 160 V HA -0.279 3.845 4.120 0.007 0.000 0.253 160 V C 2.332 178.603 176.094 0.295 0.000 1.069 160 V CA 2.539 64.993 62.300 0.257 0.000 1.082 160 V CB -0.597 31.475 31.823 0.414 0.000 0.680 160 V HN 0.552 nan 8.190 nan 0.000 0.469 161 D N 0.791 121.399 120.400 0.347 0.000 2.133 161 D HA -0.301 4.343 4.640 0.007 0.000 0.195 161 D C 2.178 178.671 176.300 0.321 0.000 0.997 161 D CA 1.673 55.988 54.000 0.524 0.000 0.840 161 D CB -0.453 40.698 40.800 0.585 0.000 0.947 161 D HN 0.382 nan 8.370 nan 0.000 0.452 162 R N 0.657 121.267 120.500 0.183 0.000 2.096 162 R HA -0.067 4.277 4.340 0.007 0.000 0.235 162 R C 2.228 178.583 176.300 0.092 0.000 1.127 162 R CA 1.330 57.501 56.100 0.118 0.000 0.968 162 R CB -0.422 29.913 30.300 0.057 0.000 0.861 162 R HN 0.298 nan 8.270 nan 0.000 0.440 163 A N 1.090 123.959 122.820 0.081 0.000 1.972 163 A HA -0.097 4.228 4.320 0.007 0.000 0.219 163 A C 2.136 179.725 177.584 0.009 0.000 1.169 163 A CA 1.157 53.218 52.037 0.041 0.000 0.635 163 A CB -0.269 18.753 19.000 0.037 0.000 0.810 163 A HN 0.342 nan 8.150 nan 0.000 0.446 164 L N -1.360 119.849 121.223 -0.023 0.000 2.145 164 L HA 0.041 4.385 4.340 0.007 0.000 0.201 164 L C 2.474 179.354 176.870 0.016 0.000 1.075 164 L CA 0.519 55.275 54.840 -0.139 0.000 0.773 164 L CB -0.609 41.149 42.059 -0.500 0.000 0.936 164 L HN 0.300 nan 8.230 nan 0.000 0.451 165 L N -0.238 121.064 121.223 0.132 0.000 2.044 165 L HA -0.128 4.216 4.340 0.007 0.000 0.205 165 L C 2.560 179.485 176.870 0.092 0.000 1.075 165 L CA 1.317 56.244 54.840 0.145 0.000 0.747 165 L CB -0.330 41.850 42.059 0.201 0.000 0.903 165 L HN 0.336 nan 8.230 nan 0.000 0.435 166 E N 0.579 120.830 120.200 0.085 0.000 2.038 166 E HA -0.094 4.260 4.350 0.007 0.000 0.190 166 E C 2.348 178.977 176.600 0.047 0.000 0.967 166 E CA 0.438 56.876 56.400 0.063 0.000 0.816 166 E CB 0.108 29.844 29.700 0.059 0.000 0.784 166 E HN 0.329 nan 8.360 nan 0.000 0.456 167 L N 0.358 121.606 121.223 0.042 0.000 2.217 167 L HA -0.031 4.313 4.340 0.007 0.000 0.211 167 L C 0.662 177.553 176.870 0.035 0.000 1.107 167 L CA 0.699 55.559 54.840 0.033 0.000 0.783 167 L CB -0.338 41.737 42.059 0.026 0.000 0.919 167 L HN 0.331 nan 8.230 nan 0.000 0.442 168 Q N 0.306 120.126 119.800 0.034 0.000 2.451 168 Q HA -0.166 4.179 4.340 0.007 0.000 0.305 168 Q C -0.095 175.942 176.000 0.063 0.000 1.345 168 Q CA 0.261 56.087 55.803 0.038 0.000 0.854 168 Q CB -1.860 26.904 28.738 0.043 0.000 1.162 168 Q HN 0.489 nan 8.270 nan 0.000 0.440 169 V N -1.846 118.109 119.914 0.069 0.000 3.133 169 V HA 0.549 4.673 4.120 0.007 0.000 0.305 169 V C 1.010 177.216 176.094 0.187 0.000 1.084 169 V CA -0.032 62.324 62.300 0.092 0.000 1.089 169 V CB 1.732 33.592 31.823 0.061 0.000 1.073 169 V HN 0.398 nan 8.190 nan 0.000 0.477 170 S N 1.893 117.666 115.700 0.122 0.000 2.655 170 S HA 0.357 4.832 4.470 0.007 0.000 0.265 170 S C 0.738 175.344 174.600 0.010 0.000 1.240 170 S CA -0.216 58.033 58.200 0.082 0.000 0.986 170 S CB 0.776 63.976 63.200 -0.000 0.000 0.985 170 S HN 0.763 nan 8.310 nan 0.000 0.562 171 K N 0.152 120.383 120.400 -0.282 0.000 2.148 171 K HA -0.103 4.221 4.320 0.007 0.000 0.204 171 K C 2.065 178.598 176.600 -0.112 0.000 1.050 171 K CA 1.514 57.542 56.287 -0.431 0.000 0.942 171 K CB -0.193 31.907 32.500 -0.667 0.000 0.724 171 K HN 0.723 nan 8.250 nan 0.000 0.446 172 E N 1.352 121.502 120.200 -0.083 0.000 2.112 172 E HA -0.141 4.213 4.350 0.007 0.000 0.190 172 E C 1.201 177.828 176.600 0.046 0.000 0.979 172 E CA 1.346 57.740 56.400 -0.009 0.000 0.814 172 E CB 0.008 29.686 29.700 -0.038 0.000 0.762 172 E HN 0.122 nan 8.360 nan 0.000 0.460 173 D N -0.057 120.351 120.400 0.013 0.000 2.097 173 D HA -0.158 4.486 4.640 0.007 0.000 0.195 173 D C 1.835 178.111 176.300 -0.041 0.000 0.989 173 D CA 0.948 54.950 54.000 0.002 0.000 0.827 173 D CB -0.354 40.451 40.800 0.008 0.000 0.966 173 D HN 0.201 nan 8.370 nan 0.000 0.456 174 L N -0.159 121.042 121.223 -0.036 0.000 2.046 174 L HA -0.177 4.167 4.340 0.007 0.000 0.208 174 L C 2.189 178.837 176.870 -0.371 0.000 1.077 174 L CA 1.552 56.266 54.840 -0.210 0.000 0.747 174 L CB -0.864 41.195 42.059 -0.000 0.000 0.896 174 L HN 0.107 nan 8.230 nan 0.000 0.432 175 Y N -0.241 119.975 120.300 -0.139 0.000 2.070 175 Y HA -0.296 4.256 4.550 0.004 0.000 0.280 175 Y C 2.569 178.397 175.900 -0.119 0.000 1.148 175 Y CA 2.076 60.132 58.100 -0.073 0.000 1.125 175 Y CB -0.314 38.097 38.460 -0.081 0.000 0.975 175 Y HN 0.254 nan 8.280 nan 0.000 0.492 176 Q N -0.227 119.543 119.800 -0.049 0.000 2.181 176 Q HA -0.168 4.176 4.340 0.007 0.000 0.205 176 Q C 2.197 178.117 176.000 -0.133 0.000 0.980 176 Q CA 2.052 57.792 55.803 -0.105 0.000 0.862 176 Q CB -0.770 27.979 28.738 0.019 0.000 0.905 176 Q HN 0.550 nan 8.270 nan 0.000 0.429 177 T N 0.793 115.244 114.554 -0.171 0.000 2.746 177 T HA -0.094 4.260 4.350 0.007 0.000 0.267 177 T C 1.481 176.147 174.700 -0.057 0.000 1.039 177 T CA 0.994 63.000 62.100 -0.157 0.000 1.142 177 T CB -0.251 68.462 68.868 -0.258 0.000 0.866 177 T HN 0.137 nan 8.240 nan 0.000 0.444 178 F N 1.807 121.763 119.950 0.010 0.000 2.171 178 F HA 0.114 4.647 4.527 0.009 0.000 0.300 178 F C 2.656 178.496 175.800 0.067 0.000 1.090 178 F CA 0.108 58.163 58.000 0.092 0.000 1.293 178 F CB -1.367 37.733 39.000 0.167 0.000 1.013 178 F HN 0.140 nan 8.300 nan 0.000 0.486 179 A N 0.272 123.139 122.820 0.079 0.000 1.902 179 A HA -0.189 4.136 4.320 0.007 0.000 0.217 179 A C 2.393 180.022 177.584 0.074 0.000 1.181 179 A CA 1.569 53.634 52.037 0.048 0.000 0.623 179 A CB -0.614 18.261 19.000 -0.210 0.000 0.818 179 A HN 0.315 nan 8.150 nan 0.000 0.443 180 R N -1.153 119.372 120.500 0.041 0.000 2.073 180 R HA -0.053 4.291 4.340 0.007 0.000 0.229 180 R C 2.283 178.620 176.300 0.062 0.000 1.120 180 R CA 1.642 57.768 56.100 0.043 0.000 0.967 180 R CB -0.730 29.585 30.300 0.024 0.000 0.862 180 R HN 0.505 nan 8.270 nan 0.000 0.436 181 T N 0.983 115.594 114.554 0.094 0.000 2.674 181 T HA -0.109 4.245 4.350 0.007 0.000 0.265 181 T C 2.003 176.743 174.700 0.066 0.000 1.039 181 T CA 1.471 63.630 62.100 0.098 0.000 1.150 181 T CB -0.196 68.773 68.868 0.168 0.000 0.864 181 T HN -0.010 nan 8.240 nan 0.000 0.427 182 V N 1.520 121.482 119.914 0.079 0.000 2.490 182 V HA -0.145 3.979 4.120 0.007 0.000 0.250 182 V C 2.552 178.648 176.094 0.002 0.000 1.061 182 V CA 1.791 64.097 62.300 0.010 0.000 1.064 182 V CB -0.642 31.185 31.823 0.005 0.000 0.670 182 V HN 0.418 nan 8.190 nan 0.000 0.461 183 E N 0.520 120.744 120.200 0.040 0.000 2.051 183 E HA -0.201 4.153 4.350 0.007 0.000 0.192 183 E C 2.443 179.051 176.600 0.013 0.000 0.991 183 E CA 1.778 58.198 56.400 0.034 0.000 0.799 183 E CB -0.571 29.157 29.700 0.048 0.000 0.748 183 E HN 0.437 nan 8.360 nan 0.000 0.449 184 S N -1.168 114.542 115.700 0.018 0.000 2.423 184 S HA -0.076 4.398 4.470 0.007 0.000 0.231 184 S C 1.883 176.483 174.600 0.001 0.000 1.014 184 S CA 1.045 59.253 58.200 0.014 0.000 0.965 184 S CB -0.245 62.969 63.200 0.023 0.000 0.785 184 S HN 0.189 nan 8.310 nan 0.000 0.495 185 V N 2.620 122.524 119.914 -0.015 0.000 2.270 185 V HA -0.112 4.012 4.120 0.007 0.000 0.245 185 V C 2.217 178.278 176.094 -0.054 0.000 1.043 185 V CA 1.854 64.131 62.300 -0.039 0.000 1.014 185 V CB -0.739 31.042 31.823 -0.070 0.000 0.645 185 V HN 0.495 nan 8.190 nan 0.000 0.447 186 N N 0.023 118.679 118.700 -0.074 0.000 2.381 186 N HA -0.084 4.660 4.740 0.007 0.000 0.182 186 N C 1.650 177.128 175.510 -0.053 0.000 1.025 186 N CA 0.854 53.849 53.050 -0.092 0.000 0.888 186 N CB -0.270 38.145 38.487 -0.120 0.000 0.965 186 N HN 0.344 nan 8.380 nan 0.000 0.438 187 V N 1.375 121.271 119.914 -0.029 0.000 2.407 187 V HA -0.149 3.975 4.120 0.007 0.000 0.248 187 V C 2.111 178.190 176.094 -0.026 0.000 1.055 187 V CA 1.182 63.468 62.300 -0.024 0.000 1.049 187 V CB -0.279 31.541 31.823 -0.006 0.000 0.662 187 V HN 0.235 nan 8.190 nan 0.000 0.455 188 I N -0.860 119.718 120.570 0.014 0.000 2.406 188 I HA -0.129 4.046 4.170 0.007 0.000 0.249 188 I C 2.316 178.484 176.117 0.084 0.000 1.122 188 I CA 0.785 62.144 61.300 0.098 0.000 1.431 188 I CB -0.392 37.675 38.000 0.111 0.000 1.087 188 I HN 0.125 nan 8.210 nan 0.000 0.424 189 V N 1.135 121.052 119.914 0.005 0.000 2.237 189 V HA -0.275 3.850 4.120 0.007 0.000 0.245 189 V C 2.704 178.772 176.094 -0.044 0.000 1.046 189 V CA 2.362 64.648 62.300 -0.023 0.000 1.007 189 V CB -0.908 30.868 31.823 -0.078 0.000 0.638 189 V HN 0.594 nan 8.190 nan 0.000 0.445 190 S N -0.685 114.975 115.700 -0.068 0.000 2.440 190 S HA -0.219 4.255 4.470 0.007 0.000 0.238 190 S C 1.790 176.323 174.600 -0.111 0.000 1.010 190 S CA 1.987 60.142 58.200 -0.076 0.000 0.972 190 S CB -0.670 62.493 63.200 -0.061 0.000 0.774 190 S HN 0.608 nan 8.310 nan 0.000 0.501 191 T N 0.217 114.670 114.554 -0.168 0.000 2.894 191 T HA 0.169 4.523 4.350 0.007 0.000 0.258 191 T C 0.999 175.445 174.700 -0.424 0.000 1.043 191 T CA 1.029 62.920 62.100 -0.348 0.000 1.141 191 T CB -0.265 68.281 68.868 -0.536 0.000 0.873 191 T HN 0.574 nan 8.240 nan 0.000 0.449 192 Y N 0.893 121.158 120.300 -0.059 0.000 2.535 192 Y HA 0.594 5.148 4.550 0.006 0.000 0.266 192 Y C 1.358 177.216 175.900 -0.071 0.000 1.088 192 Y CA -1.124 56.937 58.100 -0.065 0.000 1.285 192 Y CB -0.132 38.287 38.460 -0.069 0.000 1.166 192 Y HN 0.054 nan 8.280 nan 0.000 0.525 193 A N 1.066 123.918 122.820 0.053 0.000 2.524 193 A HA 0.067 4.392 4.320 0.007 0.000 0.250 193 A C -0.340 177.224 177.584 -0.033 0.000 1.078 193 A CA -0.233 51.800 52.037 -0.007 0.000 0.761 193 A CB -0.350 18.627 19.000 -0.039 0.000 1.012 193 A HN 0.215 nan 8.150 nan 0.000 0.500 194 D N 1.411 121.786 120.400 -0.041 0.000 2.414 194 D HA 0.072 4.716 4.640 0.007 0.000 0.242 194 D C 1.545 177.802 176.300 -0.072 0.000 1.129 194 D CA 0.181 54.151 54.000 -0.050 0.000 0.885 194 D CB 0.776 41.549 40.800 -0.045 0.000 1.198 194 D HN 0.638 nan 8.370 nan 0.000 0.437 195 E N 2.538 122.701 120.200 -0.061 0.000 2.515 195 E HA -0.093 4.261 4.350 0.007 0.000 0.201 195 E C 0.943 177.501 176.600 -0.070 0.000 1.071 195 E CA 0.420 56.784 56.400 -0.061 0.000 0.880 195 E CB -0.259 29.412 29.700 -0.048 0.000 0.828 195 E HN 0.264 nan 8.360 nan 0.000 0.540 196 V N 0.915 120.779 119.914 -0.084 0.000 3.646 196 V HA 0.028 4.152 4.120 0.007 0.000 0.277 196 V C 1.843 177.835 176.094 -0.169 0.000 1.274 196 V CA 0.539 62.783 62.300 -0.093 0.000 1.164 196 V CB -0.647 31.137 31.823 -0.065 0.000 0.926 196 V HN 0.224 nan 8.190 nan 0.000 0.442 197 L N -0.050 121.055 121.223 -0.196 0.000 2.731 197 L HA 0.564 4.908 4.340 0.007 0.000 0.240 197 L C 1.301 178.075 176.870 -0.161 0.000 1.120 197 L CA 0.510 55.182 54.840 -0.280 0.000 0.913 197 L CB 0.088 41.945 42.059 -0.336 0.000 1.213 197 L HN 0.487 nan 8.230 nan 0.000 0.515 198 G N 1.104 109.843 108.800 -0.103 0.000 2.693 198 G HA2 -0.301 3.664 3.960 0.007 0.000 0.226 198 G HA3 -0.301 3.664 3.960 0.007 0.000 0.226 198 G C -0.487 174.383 174.900 -0.049 0.000 1.354 198 G CA -0.270 44.794 45.100 -0.059 0.000 0.873 198 G HN 0.240 nan 8.290 nan 0.000 0.562 199 D N -0.036 120.354 120.400 -0.016 0.000 2.349 199 D HA 0.333 4.977 4.640 0.007 0.000 0.266 199 D C 1.490 177.779 176.300 -0.020 0.000 1.293 199 D CA 0.498 54.499 54.000 0.001 0.000 0.926 199 D CB 0.678 41.516 40.800 0.063 0.000 1.090 199 D HN 0.564 nan 8.370 nan 0.000 0.502 200 V N 3.591 123.467 119.914 -0.063 0.000 3.621 200 V HA 0.038 4.162 4.120 0.007 0.000 0.285 200 V C 1.230 177.233 176.094 -0.152 0.000 1.346 200 V CA -0.047 62.200 62.300 -0.089 0.000 1.104 200 V CB -0.842 30.927 31.823 -0.091 0.000 0.913 200 V HN 0.508 nan 8.190 nan 0.000 0.432 201 Q N 1.210 120.892 119.800 -0.197 0.000 2.369 201 Q HA 0.190 4.534 4.340 0.007 0.000 0.295 201 Q C -0.120 175.516 176.000 -0.608 0.000 1.075 201 Q CA 0.177 55.753 55.803 -0.377 0.000 0.941 201 Q CB 1.173 29.663 28.738 -0.414 0.000 1.260 201 Q HN 0.511 nan 8.270 nan 0.000 0.417 202 V N 0.046 119.587 119.914 -0.622 0.000 2.439 202 V HA 0.472 4.596 4.120 0.007 0.000 0.282 202 V C -1.142 174.504 176.094 -0.747 0.000 1.039 202 V CA -0.741 61.211 62.300 -0.581 0.000 0.913 202 V CB 0.385 31.978 31.823 -0.382 0.000 0.983 202 V HN 0.529 nan 8.190 nan 0.000 0.460 203 Y N 4.069 124.224 120.300 -0.243 0.000 2.361 203 Y HA 0.515 5.068 4.550 0.005 0.000 0.337 203 Y C -2.009 173.657 175.900 -0.390 0.000 0.965 203 Y CA -2.425 55.505 58.100 -0.284 0.000 1.091 203 Y CB 2.187 40.535 38.460 -0.187 0.000 1.182 203 Y HN 0.392 nan 8.280 nan 0.000 0.450 204 P HA -0.233 nan 4.420 nan 0.000 0.215 204 P C 1.333 178.467 177.300 -0.276 0.000 1.153 204 P CA 2.458 65.240 63.100 -0.530 0.000 0.853 204 P CB 0.259 31.267 31.700 -1.154 0.000 0.788 205 A N -0.220 122.440 122.820 -0.267 0.000 2.076 205 A HA -0.172 4.152 4.320 0.007 0.000 0.220 205 A C 1.923 179.510 177.584 0.005 0.000 1.160 205 A CA 1.306 53.332 52.037 -0.020 0.000 0.653 205 A CB -0.937 18.088 19.000 0.043 0.000 0.801 205 A HN 0.160 nan 8.150 nan 0.000 0.455 206 R N -1.273 119.211 120.500 -0.026 0.000 2.426 206 R HA 0.261 4.606 4.340 0.007 0.000 0.263 206 R C 1.059 177.308 176.300 -0.085 0.000 0.961 206 R CA 0.386 56.485 56.100 -0.001 0.000 1.086 206 R CB -0.104 30.223 30.300 0.046 0.000 1.186 206 R HN 0.573 nan 8.270 nan 0.000 0.537 207 G N 1.561 110.305 108.800 -0.093 0.000 2.203 207 G HA2 -0.337 3.628 3.960 0.007 0.000 0.263 207 G HA3 -0.337 3.628 3.960 0.007 0.000 0.263 207 G C 0.708 175.408 174.900 -0.333 0.000 1.012 207 G CA 1.100 46.133 45.100 -0.112 0.000 0.749 207 G HN 0.466 nan 8.290 nan 0.000 0.512 208 T N -3.224 111.062 114.554 -0.447 0.000 3.145 208 T HA 0.567 4.922 4.350 0.007 0.000 0.255 208 T C 0.271 174.727 174.700 -0.406 0.000 1.039 208 T CA 0.317 62.117 62.100 -0.499 0.000 0.928 208 T CB 1.148 69.702 68.868 -0.523 0.000 1.029 208 T HN 0.747 nan 8.240 nan 0.000 0.554 209 V N 1.201 120.852 119.914 -0.440 0.000 2.623 209 V HA 0.810 4.934 4.120 0.007 0.000 0.304 209 V C -0.285 175.294 176.094 -0.858 0.000 1.054 209 V CA -1.143 60.792 62.300 -0.608 0.000 0.882 209 V CB 1.364 32.799 31.823 -0.647 0.000 1.002 209 V HN 0.596 nan 8.190 nan 0.000 0.424 210 A N 4.536 126.803 122.820 -0.923 0.000 2.350 210 A HA 1.051 5.375 4.320 0.007 0.000 0.318 210 A C -1.284 175.493 177.584 -1.345 0.000 1.132 210 A CA -0.491 50.955 52.037 -0.985 0.000 0.811 210 A CB 1.369 20.082 19.000 -0.479 0.000 1.313 210 A HN 0.675 nan 8.150 nan 0.000 0.454 211 F N -0.500 119.036 119.950 -0.690 0.000 2.588 211 F HA 0.794 5.325 4.527 0.006 0.000 0.310 211 F C 0.623 176.094 175.800 -0.548 0.000 1.082 211 F CA 0.032 57.626 58.000 -0.677 0.000 0.929 211 F CB 2.541 41.017 39.000 -0.873 0.000 1.254 211 F HN 1.071 nan 8.300 nan 0.000 0.455 212 G N 0.178 108.806 108.800 -0.287 0.000 2.315 212 G HA2 0.416 4.380 3.960 0.007 0.000 0.294 212 G HA3 0.416 4.380 3.960 0.007 0.000 0.294 212 G C -2.042 172.330 174.900 -0.880 0.000 1.300 212 G CA -0.800 43.827 45.100 -0.789 0.000 0.843 212 G HN 0.731 nan 8.290 nan 0.000 0.527 213 S N -0.733 114.143 115.700 -1.374 0.000 2.640 213 S HA 0.567 5.041 4.470 0.007 0.000 0.320 213 S C 1.410 175.710 174.600 -0.499 0.000 1.097 213 S CA 0.700 58.452 58.200 -0.748 0.000 1.092 213 S CB 0.940 63.829 63.200 -0.518 0.000 0.988 213 S HN 1.804 nan 8.310 nan 0.000 0.470 214 G N 4.095 112.718 108.800 -0.295 0.000 2.422 214 G HA2 -0.138 3.826 3.960 0.007 0.000 0.218 214 G HA3 -0.138 3.826 3.960 0.007 0.000 0.218 214 G C 1.226 176.042 174.900 -0.140 0.000 1.146 214 G CA 1.017 46.012 45.100 -0.175 0.000 0.769 214 G HN 0.674 nan 8.290 nan 0.000 0.547 215 L N 0.583 121.682 121.223 -0.206 0.000 1.971 215 L HA -0.156 4.188 4.340 0.007 0.000 0.215 215 L C 2.579 179.380 176.870 -0.115 0.000 1.072 215 L CA 2.118 56.829 54.840 -0.215 0.000 0.758 215 L CB -0.734 41.090 42.059 -0.392 0.000 0.889 215 L HN 0.337 nan 8.230 nan 0.000 0.433 216 H N -0.169 118.963 119.070 0.103 0.000 2.547 216 H HA 0.277 4.837 4.556 0.006 0.000 0.272 216 H C 1.489 176.959 175.328 0.237 0.000 0.989 216 H CA 0.554 56.736 56.048 0.224 0.000 1.214 216 H CB -0.415 29.618 29.762 0.453 0.000 1.389 216 H HN 0.528 nan 8.280 nan 0.000 0.577 217 G N 0.872 109.775 108.800 0.173 0.000 2.212 217 G HA2 -0.183 3.781 3.960 0.007 0.000 0.255 217 G HA3 -0.183 3.781 3.960 0.007 0.000 0.255 217 G C -0.092 174.959 174.900 0.252 0.000 1.062 217 G CA 0.312 45.497 45.100 0.141 0.000 0.815 217 G HN 0.521 nan 8.290 nan 0.000 0.497 218 W N -1.208 120.197 121.300 0.176 0.000 2.864 218 W HA 0.859 5.522 4.660 0.005 0.000 0.343 218 W C -0.256 176.378 176.519 0.192 0.000 1.109 218 W CA -1.441 56.022 57.345 0.197 0.000 1.192 218 W CB 1.613 31.241 29.460 0.279 0.000 1.426 218 W HN 1.173 nan 8.180 nan 0.000 0.529 219 A N 2.881 125.970 122.820 0.448 0.000 2.599 219 A HA 0.827 5.151 4.320 0.007 0.000 0.294 219 A C -2.044 175.774 177.584 0.389 0.000 1.055 219 A CA -0.758 51.433 52.037 0.257 0.000 0.683 219 A CB 1.273 20.255 19.000 -0.029 0.000 1.278 219 A HN 1.139 nan 8.150 nan 0.000 0.412 220 F N -0.842 119.288 119.950 0.300 0.000 2.685 220 F HA 0.916 5.447 4.527 0.006 0.000 0.315 220 F C -0.193 175.774 175.800 0.279 0.000 1.126 220 F CA -0.178 57.988 58.000 0.277 0.000 0.950 220 F CB 1.418 40.691 39.000 0.455 0.000 1.360 220 F HN 0.939 nan 8.300 nan 0.000 0.469 221 T N -0.875 113.967 114.554 0.480 0.000 2.916 221 T HA 0.455 4.809 4.350 0.007 0.000 0.292 221 T C 0.604 175.676 174.700 0.621 0.000 1.064 221 T CA -0.818 61.497 62.100 0.360 0.000 1.011 221 T CB 1.528 70.463 68.868 0.111 0.000 1.152 221 T HN 0.647 nan 8.240 nan 0.000 0.510 222 I N 0.372 121.263 120.570 0.534 0.000 2.423 222 I HA -0.084 4.090 4.170 0.007 0.000 0.254 222 I C 2.560 178.901 176.117 0.373 0.000 1.151 222 I CA 1.347 62.966 61.300 0.532 0.000 1.421 222 I CB -1.143 37.105 38.000 0.412 0.000 1.079 222 I HN 0.818 nan 8.210 nan 0.000 0.431 223 R N 0.889 121.540 120.500 0.251 0.000 2.115 223 R HA -0.147 4.197 4.340 0.007 0.000 0.230 223 R C 2.179 178.568 176.300 0.148 0.000 1.111 223 R CA 1.030 57.230 56.100 0.167 0.000 0.976 223 R CB 0.067 30.433 30.300 0.110 0.000 0.870 223 R HN 0.451 nan 8.270 nan 0.000 0.445 224 Q N -0.747 119.149 119.800 0.160 0.000 2.046 224 Q HA -0.139 4.205 4.340 0.007 0.000 0.200 224 Q C 1.752 177.726 176.000 -0.043 0.000 0.975 224 Q CA 1.549 57.364 55.803 0.020 0.000 0.836 224 Q CB -0.032 28.685 28.738 -0.035 0.000 0.896 224 Q HN 0.320 nan 8.270 nan 0.000 0.428 225 F N 0.192 120.227 119.950 0.143 0.000 2.325 225 F HA -0.032 4.500 4.527 0.008 0.000 0.299 225 F C 2.246 178.183 175.800 0.229 0.000 1.090 225 F CA 0.778 58.876 58.000 0.162 0.000 1.392 225 F CB -0.287 38.845 39.000 0.220 0.000 1.053 225 F HN 0.052 nan 8.300 nan 0.000 0.521 226 A N -0.429 122.596 122.820 0.342 0.000 1.902 226 A HA -0.164 4.160 4.320 0.007 0.000 0.217 226 A C 2.245 179.924 177.584 0.159 0.000 1.181 226 A CA 2.232 54.407 52.037 0.230 0.000 0.623 226 A CB -1.244 17.852 19.000 0.161 0.000 0.818 226 A HN 0.307 nan 8.150 nan 0.000 0.443 227 T N -0.150 114.464 114.554 0.100 0.000 2.788 227 T HA -0.132 4.222 4.350 0.007 0.000 0.268 227 T C 2.029 176.742 174.700 0.021 0.000 1.044 227 T CA 1.623 63.750 62.100 0.045 0.000 1.139 227 T CB -0.220 68.652 68.868 0.007 0.000 0.867 227 T HN 0.557 nan 8.240 nan 0.000 0.454 228 R N -0.172 120.315 120.500 -0.023 0.000 2.073 228 R HA 0.010 4.354 4.340 0.007 0.000 0.229 228 R C 2.003 178.232 176.300 -0.117 0.000 1.120 228 R CA 1.198 57.218 56.100 -0.134 0.000 0.967 228 R CB -0.327 29.798 30.300 -0.291 0.000 0.862 228 R HN 0.422 nan 8.270 nan 0.000 0.436 229 Y N 0.385 120.768 120.300 0.138 0.000 2.544 229 Y HA 0.152 4.707 4.550 0.007 0.000 0.286 229 Y C 2.270 178.318 175.900 0.247 0.000 1.141 229 Y CA 0.244 58.474 58.100 0.217 0.000 1.299 229 Y CB -0.248 38.346 38.460 0.223 0.000 1.030 229 Y HN 0.093 nan 8.280 nan 0.000 0.543 230 A N 0.582 123.549 122.820 0.245 0.000 1.986 230 A HA -0.255 4.069 4.320 0.007 0.000 0.220 230 A C 2.150 179.827 177.584 0.156 0.000 1.171 230 A CA 1.962 54.099 52.037 0.167 0.000 0.640 230 A CB -0.363 18.691 19.000 0.090 0.000 0.811 230 A HN 0.430 nan 8.150 nan 0.000 0.451 231 K N -0.653 119.818 120.400 0.118 0.000 2.166 231 K HA 0.031 4.355 4.320 0.007 0.000 0.201 231 K C 1.626 178.252 176.600 0.043 0.000 1.052 231 K CA 0.950 57.276 56.287 0.066 0.000 0.969 231 K CB -0.071 32.445 32.500 0.027 0.000 0.761 231 K HN 0.340 nan 8.250 nan 0.000 0.459 232 K N 0.064 120.480 120.400 0.026 0.000 2.574 232 K HA -0.043 4.281 4.320 0.007 0.000 0.193 232 K C 0.429 176.751 176.600 -0.462 0.000 1.035 232 K CA 0.872 57.042 56.287 -0.194 0.000 0.982 232 K CB 0.119 32.481 32.500 -0.229 0.000 0.795 232 K HN 0.098 nan 8.250 nan 0.000 0.491 233 F N -0.801 119.177 119.950 0.047 0.000 2.856 233 F HA 0.226 4.758 4.527 0.008 0.000 0.338 233 F C 0.927 176.753 175.800 0.043 0.000 1.100 233 F CA -0.398 57.632 58.000 0.050 0.000 1.150 233 F CB 1.052 40.071 39.000 0.032 0.000 1.101 233 F HN -0.027 nan 8.300 nan 0.000 0.548 234 G N 2.225 111.118 108.800 0.155 0.000 2.393 234 G HA2 -0.183 3.781 3.960 0.007 0.000 0.299 234 G HA3 -0.183 3.781 3.960 0.007 0.000 0.299 234 G C -0.544 174.415 174.900 0.099 0.000 0.990 234 G CA 0.413 45.574 45.100 0.102 0.000 1.118 234 G HN 0.228 nan 8.290 nan 0.000 0.513 235 V N 0.600 120.574 119.914 0.100 0.000 2.760 235 V HA 0.407 4.531 4.120 0.007 0.000 0.309 235 V C -0.070 176.039 176.094 0.024 0.000 1.077 235 V CA -0.551 61.776 62.300 0.044 0.000 0.910 235 V CB 2.183 34.009 31.823 0.005 0.000 1.008 235 V HN 0.651 nan 8.190 nan 0.000 0.424 236 D N 3.280 123.681 120.400 0.002 0.000 2.450 236 D HA 0.040 4.685 4.640 0.007 0.000 0.247 236 D C 1.107 177.401 176.300 -0.011 0.000 1.162 236 D CA -0.296 53.704 54.000 0.001 0.000 0.879 236 D CB 0.626 41.423 40.800 -0.005 0.000 1.163 236 D HN 0.703 nan 8.370 nan 0.000 0.472 237 K N 1.838 122.242 120.400 0.008 0.000 2.442 237 K HA -0.217 4.107 4.320 0.007 0.000 0.199 237 K C 1.647 178.248 176.600 0.002 0.000 1.044 237 K CA 0.871 57.166 56.287 0.013 0.000 0.941 237 K CB -0.191 32.334 32.500 0.040 0.000 0.759 237 K HN 0.434 nan 8.250 nan 0.000 0.472 238 A N 3.272 126.088 122.820 -0.006 0.000 1.865 238 A HA -0.231 4.093 4.320 0.007 0.000 0.217 238 A C 2.066 179.630 177.584 -0.033 0.000 1.191 238 A CA 2.003 54.034 52.037 -0.009 0.000 0.623 238 A CB -0.443 18.551 19.000 -0.010 0.000 0.826 238 A HN 0.615 nan 8.150 nan 0.000 0.444 239 K N -1.859 118.500 120.400 -0.067 0.000 2.426 239 K HA 0.177 4.501 4.320 0.007 0.000 0.193 239 K C 1.629 178.112 176.600 -0.195 0.000 1.028 239 K CA 0.995 57.211 56.287 -0.118 0.000 1.047 239 K CB -0.095 32.325 32.500 -0.133 0.000 0.821 239 K HN 0.319 nan 8.250 nan 0.000 0.513 240 M N 2.282 121.784 119.600 -0.163 0.000 2.248 240 M HA 0.101 4.586 4.480 0.007 0.000 0.265 240 M C 2.080 178.312 176.300 -0.114 0.000 1.079 240 M CA 1.340 56.507 55.300 -0.222 0.000 1.150 240 M CB -0.123 32.392 32.600 -0.142 0.000 1.366 240 M HN 0.356 nan 8.290 nan 0.000 0.433 241 M N -2.185 117.412 119.600 -0.005 0.000 2.394 241 M HA -0.003 4.481 4.480 0.007 0.000 0.264 241 M C 1.328 177.683 176.300 0.092 0.000 1.073 241 M CA 1.719 57.073 55.300 0.090 0.000 1.111 241 M CB -0.830 31.840 32.600 0.117 0.000 1.401 241 M HN 0.098 nan 8.290 nan 0.000 0.448 242 D N 1.485 121.895 120.400 0.016 0.000 2.178 242 D HA -0.096 4.548 4.640 0.007 0.000 0.202 242 D C 1.970 178.281 176.300 0.018 0.000 0.974 242 D CA 1.200 55.211 54.000 0.018 0.000 0.841 242 D CB 0.035 40.814 40.800 -0.034 0.000 0.953 242 D HN 0.488 nan 8.370 nan 0.000 0.478 243 R N -0.474 119.979 120.500 -0.079 0.000 2.127 243 R HA 0.157 4.501 4.340 0.007 0.000 0.217 243 R C 2.101 178.436 176.300 0.059 0.000 1.074 243 R CA 0.133 56.164 56.100 -0.115 0.000 0.991 243 R CB -0.035 29.973 30.300 -0.487 0.000 0.895 243 R HN 0.183 nan 8.270 nan 0.000 0.450 244 L N 0.411 121.711 121.223 0.129 0.000 2.749 244 L HA -0.011 4.333 4.340 0.007 0.000 0.245 244 L C 0.186 177.375 176.870 0.532 0.000 1.156 244 L CA 0.273 55.293 54.840 0.301 0.000 0.890 244 L CB -0.168 42.073 42.059 0.303 0.000 1.036 244 L HN 0.279 nan 8.230 nan 0.000 0.441 245 W N -0.744 120.650 121.300 0.157 0.000 3.213 245 W HA 0.423 5.087 4.660 0.007 0.000 0.318 245 W C 0.355 176.914 176.519 0.066 0.000 1.248 245 W CA 0.211 57.644 57.345 0.147 0.000 1.187 245 W CB 1.492 31.036 29.460 0.140 0.000 1.403 245 W HN 0.028 nan 8.180 nan 0.000 0.556 246 G N 3.103 111.627 108.800 -0.461 0.000 2.553 246 G HA2 -0.261 3.703 3.960 0.007 0.000 0.242 246 G HA3 -0.261 3.703 3.960 0.007 0.000 0.242 246 G C -0.638 174.088 174.900 -0.289 0.000 1.277 246 G CA 0.152 45.118 45.100 -0.223 0.000 0.910 246 G HN 0.430 nan 8.290 nan 0.000 0.576 247 D N 1.805 122.112 120.400 -0.155 0.000 2.619 247 D HA 0.518 5.162 4.640 0.007 0.000 0.224 247 D C -0.066 176.074 176.300 -0.268 0.000 1.133 247 D CA 0.512 54.395 54.000 -0.195 0.000 1.017 247 D CB 0.363 41.245 40.800 0.137 0.000 1.077 247 D HN 0.454 nan 8.370 nan 0.000 0.503 248 S N 0.964 116.304 115.700 -0.599 0.000 2.532 248 S HA 0.608 5.082 4.470 0.007 0.000 0.299 248 S C -0.628 173.672 174.600 -0.500 0.000 1.105 248 S CA -0.669 57.376 58.200 -0.258 0.000 1.018 248 S CB 1.060 64.266 63.200 0.009 0.000 1.021 248 S HN 0.119 nan 8.310 nan 0.000 0.483 249 F N 2.072 122.184 119.950 0.269 0.000 2.539 249 F HA 0.470 5.000 4.527 0.004 0.000 0.318 249 F C -0.645 175.172 175.800 0.028 0.000 1.135 249 F CA -0.895 57.173 58.000 0.114 0.000 0.915 249 F CB 1.154 40.156 39.000 0.002 0.000 1.176 249 F HN 0.554 nan 8.300 nan 0.000 0.440 250 F N 4.480 124.281 119.950 -0.249 0.000 2.303 250 F HA 0.374 4.905 4.527 0.006 0.000 0.368 250 F C 0.357 175.969 175.800 -0.312 0.000 1.105 250 F CA -0.790 56.822 58.000 -0.647 0.000 1.153 250 F CB 0.098 38.465 39.000 -1.055 0.000 1.362 250 F HN 0.411 nan 8.300 nan 0.000 0.511 251 N N 7.703 126.052 118.700 -0.586 0.000 2.417 251 N HA 0.026 4.770 4.740 0.007 0.000 0.272 251 N C -1.892 173.260 175.510 -0.596 0.000 1.304 251 N CA -1.428 51.351 53.050 -0.451 0.000 0.906 251 N CB 1.162 39.450 38.487 -0.332 0.000 1.135 251 N HN 0.316 nan 8.380 nan 0.000 0.483 252 P HA -0.069 nan 4.420 nan 0.000 0.219 252 P C 0.646 177.854 177.300 -0.153 0.000 1.150 252 P CA 1.430 64.430 63.100 -0.167 0.000 0.814 252 P CB 0.368 32.021 31.700 -0.079 0.000 0.787 253 K N -0.943 119.360 120.400 -0.162 0.000 2.116 253 K HA -0.010 4.314 4.320 0.007 0.000 0.203 253 K C 1.841 178.364 176.600 -0.127 0.000 1.052 253 K CA 1.849 58.066 56.287 -0.116 0.000 0.952 253 K CB -0.588 31.852 32.500 -0.100 0.000 0.729 253 K HN 0.256 nan 8.250 nan 0.000 0.446 254 T N -1.950 112.492 114.554 -0.187 0.000 3.040 254 T HA 0.139 4.493 4.350 0.007 0.000 0.250 254 T C 0.322 174.895 174.700 -0.212 0.000 1.058 254 T CA -0.359 61.642 62.100 -0.165 0.000 0.988 254 T CB 0.205 68.983 68.868 -0.150 0.000 0.993 254 T HN -0.089 nan 8.240 nan 0.000 0.519 255 K N 0.836 121.010 120.400 -0.377 0.000 3.096 255 K HA -0.123 4.201 4.320 0.007 0.000 0.266 255 K C -0.485 175.821 176.600 -0.491 0.000 1.043 255 K CA 0.695 56.691 56.287 -0.485 0.000 0.758 255 K CB -1.698 30.788 32.500 -0.023 0.000 1.260 255 K HN 0.582 nan 8.250 nan 0.000 0.481 256 K N -0.434 119.585 120.400 -0.635 0.000 2.259 256 K HA 0.377 4.701 4.320 0.007 0.000 0.252 256 K C -0.366 176.042 176.600 -0.319 0.000 0.936 256 K CA -0.714 55.404 56.287 -0.283 0.000 0.810 256 K CB 0.983 33.407 32.500 -0.126 0.000 1.143 256 K HN 0.006 nan 8.250 nan 0.000 0.427 257 W N 1.328 122.669 121.300 0.068 0.000 2.315 257 W HA 0.248 4.911 4.660 0.005 0.000 0.316 257 W C 0.038 176.612 176.519 0.092 0.000 1.211 257 W CA 0.063 57.496 57.345 0.148 0.000 1.201 257 W CB 1.531 31.099 29.460 0.179 0.000 1.184 257 W HN 0.368 nan 8.180 nan 0.000 0.544 258 T N 2.140 116.920 114.554 0.377 0.000 2.883 258 T HA 0.171 4.525 4.350 0.007 0.000 0.296 258 T C 0.105 175.017 174.700 0.354 0.000 1.117 258 T CA -0.842 61.415 62.100 0.261 0.000 1.006 258 T CB 1.734 70.679 68.868 0.129 0.000 1.191 258 T HN 0.238 nan 8.240 nan 0.000 0.508 259 N N 0.692 119.544 118.700 0.254 0.000 2.205 259 N HA 0.123 4.868 4.740 0.007 0.000 0.201 259 N C -0.162 175.500 175.510 0.253 0.000 1.128 259 N CA 0.094 53.312 53.050 0.281 0.000 0.867 259 N CB 0.442 39.028 38.487 0.164 0.000 0.996 259 N HN 0.621 nan 8.380 nan 0.000 0.503 260 K N 0.293 120.742 120.400 0.082 0.000 2.270 260 K HA 0.284 4.608 4.320 0.007 0.000 0.255 260 K C -0.405 175.865 176.600 -0.550 0.000 0.936 260 K CA -0.673 55.538 56.287 -0.127 0.000 0.809 260 K CB 1.282 33.729 32.500 -0.088 0.000 1.131 260 K HN -0.247 nan 8.250 nan 0.000 0.427 261 D N 1.401 121.332 120.400 -0.782 0.000 2.346 261 D HA -0.055 4.589 4.640 0.007 0.000 0.248 261 D C -0.399 175.540 176.300 -0.601 0.000 1.173 261 D CA 0.018 53.291 54.000 -1.210 0.000 0.878 261 D CB -0.311 40.015 40.800 -0.791 0.000 0.919 261 D HN 0.636 nan 8.370 nan 0.000 0.513 262 T N -2.667 111.645 114.554 -0.403 0.000 2.916 262 T HA 0.435 4.790 4.350 0.007 0.000 0.305 262 T C -0.472 174.114 174.700 -0.189 0.000 1.119 262 T CA -1.043 60.908 62.100 -0.247 0.000 1.008 262 T CB 2.573 71.336 68.868 -0.174 0.000 1.129 262 T HN 0.011 nan 8.240 nan 0.000 0.480 263 D N 1.837 122.146 120.400 -0.152 0.000 2.425 263 D HA 0.482 5.127 4.640 0.007 0.000 0.274 263 D C 1.829 178.074 176.300 -0.092 0.000 1.242 263 D CA -0.218 53.711 54.000 -0.118 0.000 1.060 263 D CB -0.106 40.627 40.800 -0.112 0.000 1.112 263 D HN 0.676 nan 8.370 nan 0.000 0.561 264 A N -0.553 122.222 122.820 -0.075 0.000 1.908 264 A HA -0.206 4.118 4.320 0.007 0.000 0.218 264 A C 1.850 179.400 177.584 -0.056 0.000 1.181 264 A CA 1.565 53.567 52.037 -0.059 0.000 0.627 264 A CB -0.850 18.120 19.000 -0.050 0.000 0.818 264 A HN 0.672 nan 8.150 nan 0.000 0.445 265 E N -1.478 118.686 120.200 -0.060 0.000 2.489 265 E HA 0.276 4.631 4.350 0.007 0.000 0.193 265 E C 0.928 177.493 176.600 -0.059 0.000 1.057 265 E CA 0.221 56.589 56.400 -0.054 0.000 0.866 265 E CB -0.131 29.539 29.700 -0.051 0.000 0.916 265 E HN 0.760 nan 8.360 nan 0.000 0.500 266 G N 2.254 111.012 108.800 -0.070 0.000 2.137 266 G HA2 -0.298 3.666 3.960 0.007 0.000 0.237 266 G HA3 -0.298 3.666 3.960 0.007 0.000 0.237 266 G C -0.071 174.779 174.900 -0.083 0.000 1.002 266 G CA -0.001 45.054 45.100 -0.075 0.000 0.702 266 G HN 0.150 nan 8.290 nan 0.000 0.515 267 K N 0.774 121.120 120.400 -0.090 0.000 2.174 267 K HA 0.464 4.788 4.320 0.007 0.000 0.275 267 K C -2.457 174.070 176.600 -0.121 0.000 1.015 267 K CA -1.927 54.304 56.287 -0.093 0.000 0.933 267 K CB 1.196 33.645 32.500 -0.085 0.000 1.025 267 K HN 0.011 nan 8.250 nan 0.000 0.463 268 P HA 0.052 nan 4.420 nan 0.000 0.268 268 P C -0.859 176.351 177.300 -0.149 0.000 1.204 268 P CA 0.112 63.127 63.100 -0.142 0.000 0.768 268 P CB 0.499 32.135 31.700 -0.105 0.000 0.842 269 L N 2.172 123.272 121.223 -0.206 0.000 2.317 269 L HA 0.373 4.717 4.340 0.007 0.000 0.281 269 L C 0.898 177.776 176.870 0.014 0.000 1.024 269 L CA -0.804 53.954 54.840 -0.138 0.000 0.810 269 L CB 1.372 43.311 42.059 -0.200 0.000 1.240 269 L HN 0.367 nan 8.230 nan 0.000 0.427 270 E N 3.979 124.192 120.200 0.023 0.000 2.344 270 E HA 0.098 4.452 4.350 0.007 0.000 0.270 270 E C -0.113 176.553 176.600 0.110 0.000 1.021 270 E CA -0.622 55.788 56.400 0.015 0.000 0.887 270 E CB 0.816 30.445 29.700 -0.118 0.000 0.997 270 E HN 0.467 nan 8.360 nan 0.000 0.429 271 R N 3.319 123.825 120.500 0.011 0.000 2.694 271 R HA 0.163 4.507 4.340 0.007 0.000 0.268 271 R C 0.714 176.857 176.300 -0.261 0.000 1.061 271 R CA 0.405 56.294 56.100 -0.350 0.000 1.133 271 R CB 0.734 30.675 30.300 -0.599 0.000 1.020 271 R HN 0.550 nan 8.270 nan 0.000 0.475 272 A N 3.492 126.203 122.820 -0.183 0.000 1.892 272 A HA -0.242 4.082 4.320 0.007 0.000 0.218 272 A C 1.881 179.513 177.584 0.081 0.000 1.188 272 A CA 1.608 53.716 52.037 0.118 0.000 0.631 272 A CB -0.876 18.354 19.000 0.384 0.000 0.822 272 A HN 0.891 nan 8.150 nan 0.000 0.447 273 F N 1.527 121.403 119.950 -0.122 0.000 2.126 273 F HA -0.224 4.308 4.527 0.008 0.000 0.299 273 F C 1.849 177.558 175.800 -0.151 0.000 1.096 273 F CA 2.211 60.171 58.000 -0.066 0.000 1.255 273 F CB -0.258 38.715 39.000 -0.043 0.000 0.997 273 F HN 0.255 nan 8.300 nan 0.000 0.479 274 N N -0.352 118.244 118.700 -0.174 0.000 2.396 274 N HA -0.120 4.624 4.740 0.007 0.000 0.180 274 N C 1.867 177.143 175.510 -0.388 0.000 1.028 274 N CA 1.199 54.073 53.050 -0.293 0.000 0.893 274 N CB -0.334 38.002 38.487 -0.252 0.000 0.967 274 N HN 0.401 nan 8.380 nan 0.000 0.440 275 M N -1.315 118.028 119.600 -0.427 0.000 2.325 275 M HA 0.098 4.583 4.480 0.007 0.000 0.265 275 M C 0.474 176.355 176.300 -0.698 0.000 1.094 275 M CA 1.192 56.119 55.300 -0.622 0.000 1.161 275 M CB 0.212 32.290 32.600 -0.870 0.000 1.358 275 M HN -0.014 nan 8.290 nan 0.000 0.446 276 F N -1.113 118.649 119.950 -0.312 0.000 2.717 276 F HA 0.221 4.752 4.527 0.007 0.000 0.295 276 F C 1.708 177.280 175.800 -0.379 0.000 1.117 276 F CA 0.300 58.082 58.000 -0.362 0.000 1.361 276 F CB 0.057 38.680 39.000 -0.629 0.000 1.112 276 F HN 0.010 nan 8.300 nan 0.000 0.594 277 I N -1.080 119.190 120.570 -0.500 0.000 3.132 277 I HA -0.052 4.122 4.170 0.007 0.000 0.255 277 I C 1.953 177.603 176.117 -0.778 0.000 1.118 277 I CA 0.483 61.147 61.300 -1.061 0.000 1.463 277 I CB -0.188 37.017 38.000 -1.324 0.000 1.356 277 I HN -0.046 nan 8.210 nan 0.000 0.463 278 L N 0.633 121.477 121.223 -0.632 0.000 2.109 278 L HA -0.181 4.163 4.340 0.007 0.000 0.207 278 L C 2.127 178.925 176.870 -0.120 0.000 1.086 278 L CA 1.390 56.058 54.840 -0.286 0.000 0.760 278 L CB -0.562 41.306 42.059 -0.319 0.000 0.910 278 L HN 0.291 nan 8.230 nan 0.000 0.437 279 D N 0.152 120.402 120.400 -0.250 0.000 2.092 279 D HA -0.150 4.494 4.640 0.007 0.000 0.193 279 D C -0.635 175.662 176.300 -0.005 0.000 0.994 279 D CA 1.500 55.406 54.000 -0.156 0.000 0.828 279 D CB -0.759 39.918 40.800 -0.204 0.000 0.963 279 D HN 0.085 nan 8.370 nan 0.000 0.450 280 P HA -0.115 nan 4.420 nan 0.000 0.216 280 P C 1.505 178.825 177.300 0.034 0.000 1.153 280 P CA 1.144 64.267 63.100 0.038 0.000 0.858 280 P CB -0.056 31.735 31.700 0.152 0.000 0.789 281 I N -2.735 117.896 120.570 0.101 0.000 2.252 281 I HA -0.213 3.961 4.170 0.007 0.000 0.245 281 I C 2.077 178.263 176.117 0.115 0.000 1.102 281 I CA 1.328 62.692 61.300 0.106 0.000 1.385 281 I CB -0.670 37.364 38.000 0.057 0.000 1.064 281 I HN -0.156 nan 8.210 nan 0.000 0.414 282 F N 1.270 121.170 119.950 -0.083 0.000 2.216 282 F HA -0.146 4.384 4.527 0.006 0.000 0.300 282 F C 2.651 178.456 175.800 0.008 0.000 1.085 282 F CA 1.207 59.170 58.000 -0.063 0.000 1.326 282 F CB -0.471 38.477 39.000 -0.087 0.000 1.027 282 F HN -0.056 nan 8.300 nan 0.000 0.497 283 R N 0.231 120.823 120.500 0.154 0.000 2.070 283 R HA -0.126 4.218 4.340 0.007 0.000 0.233 283 R C 2.329 178.642 176.300 0.022 0.000 1.137 283 R CA 1.271 57.407 56.100 0.061 0.000 0.945 283 R CB -1.245 29.061 30.300 0.010 0.000 0.845 283 R HN 0.339 nan 8.270 nan 0.000 0.430 284 L N -0.547 120.675 121.223 -0.002 0.000 2.046 284 L HA -0.144 4.200 4.340 0.007 0.000 0.208 284 L C 2.458 179.289 176.870 -0.066 0.000 1.077 284 L CA 1.297 56.093 54.840 -0.074 0.000 0.747 284 L CB -0.521 41.448 42.059 -0.151 0.000 0.896 284 L HN 0.046 nan 8.230 nan 0.000 0.432 285 F N 0.063 119.904 119.950 -0.182 0.000 2.161 285 F HA -0.246 4.286 4.527 0.009 0.000 0.300 285 F C 2.579 178.281 175.800 -0.162 0.000 1.089 285 F CA 1.769 59.652 58.000 -0.195 0.000 1.282 285 F CB -0.369 38.484 39.000 -0.246 0.000 1.010 285 F HN 0.039 nan 8.300 nan 0.000 0.485 286 T N -0.764 113.826 114.554 0.060 0.000 2.894 286 T HA -0.027 4.327 4.350 0.007 0.000 0.258 286 T C 2.220 176.889 174.700 -0.052 0.000 1.043 286 T CA 0.960 63.065 62.100 0.008 0.000 1.141 286 T CB -0.505 68.389 68.868 0.043 0.000 0.873 286 T HN 0.262 nan 8.240 nan 0.000 0.449 287 A N 1.165 123.950 122.820 -0.058 0.000 1.902 287 A HA 0.030 4.354 4.320 0.007 0.000 0.217 287 A C 2.239 179.743 177.584 -0.133 0.000 1.181 287 A CA 1.153 53.144 52.037 -0.076 0.000 0.623 287 A CB -0.665 18.294 19.000 -0.067 0.000 0.818 287 A HN 0.510 nan 8.150 nan 0.000 0.443 288 I N -1.129 119.325 120.570 -0.193 0.000 2.339 288 I HA -0.134 4.040 4.170 0.007 0.000 0.245 288 I C 2.150 177.992 176.117 -0.458 0.000 1.096 288 I CA 0.746 61.881 61.300 -0.275 0.000 1.408 288 I CB -0.263 37.563 38.000 -0.290 0.000 1.092 288 I HN 0.202 nan 8.210 nan 0.000 0.423 289 M N 0.308 119.655 119.600 -0.422 0.000 2.557 289 M HA -0.041 4.443 4.480 0.007 0.000 0.259 289 M C 0.966 176.927 176.300 -0.565 0.000 1.086 289 M CA 1.139 56.129 55.300 -0.518 0.000 1.096 289 M CB -1.029 31.401 32.600 -0.283 0.000 1.424 289 M HN 0.233 nan 8.290 nan 0.000 0.488 290 N N -0.247 118.231 118.700 -0.370 0.000 2.230 290 N HA 0.095 4.840 4.740 0.007 0.000 0.202 290 N C -0.295 175.214 175.510 -0.002 0.000 1.119 290 N CA 0.017 52.980 53.050 -0.144 0.000 0.851 290 N CB 0.247 38.712 38.487 -0.037 0.000 0.990 290 N HN 0.193 nan 8.380 nan 0.000 0.497 291 F N 0.366 120.301 119.950 -0.026 0.000 3.100 291 F HA -0.269 4.262 4.527 0.007 0.000 0.283 291 F C 0.184 175.971 175.800 -0.021 0.000 0.900 291 F CA 0.468 58.453 58.000 -0.025 0.000 1.010 291 F CB -2.157 36.831 39.000 -0.019 0.000 1.029 291 F HN -0.095 nan 8.300 nan 0.000 0.637 292 K N 1.633 122.076 120.400 0.071 0.000 2.083 292 K HA 0.068 4.392 4.320 0.007 0.000 0.246 292 K C 1.333 177.952 176.600 0.032 0.000 1.160 292 K CA 0.029 56.345 56.287 0.047 0.000 1.060 292 K CB 0.215 32.725 32.500 0.015 0.000 1.417 292 K HN 0.516 nan 8.250 nan 0.000 0.329 293 K N 0.372 120.802 120.400 0.050 0.000 2.281 293 K HA -0.172 4.152 4.320 0.007 0.000 0.203 293 K C 0.350 176.958 176.600 0.014 0.000 1.046 293 K CA 1.264 57.572 56.287 0.035 0.000 0.938 293 K CB 0.164 32.687 32.500 0.040 0.000 0.737 293 K HN 0.243 nan 8.250 nan 0.000 0.458 294 D N 1.118 121.524 120.400 0.011 0.000 2.305 294 D HA -0.020 4.624 4.640 0.007 0.000 0.206 294 D C 1.466 177.764 176.300 -0.004 0.000 0.974 294 D CA 0.650 54.652 54.000 0.003 0.000 0.871 294 D CB 0.284 41.087 40.800 0.005 0.000 0.947 294 D HN 0.424 nan 8.370 nan 0.000 0.516 295 E N 0.421 120.616 120.200 -0.007 0.000 2.060 295 E HA 0.024 4.379 4.350 0.007 0.000 0.189 295 E C 2.278 178.861 176.600 -0.028 0.000 0.974 295 E CA 0.133 56.523 56.400 -0.016 0.000 0.808 295 E CB 0.255 29.944 29.700 -0.017 0.000 0.768 295 E HN 0.197 nan 8.360 nan 0.000 0.453 296 I N 1.734 122.285 120.570 -0.033 0.000 2.113 296 I HA -0.266 3.908 4.170 0.007 0.000 0.242 296 I C -0.702 175.388 176.117 -0.045 0.000 1.064 296 I CA 1.475 62.745 61.300 -0.049 0.000 1.320 296 I CB -1.546 36.424 38.000 -0.049 0.000 1.028 296 I HN 0.087 nan 8.210 nan 0.000 0.406 297 P HA -0.123 nan 4.420 nan 0.000 0.215 297 P C 2.008 179.291 177.300 -0.027 0.000 1.157 297 P CA 1.291 64.376 63.100 -0.025 0.000 0.868 297 P CB -0.027 31.665 31.700 -0.014 0.000 0.788 298 V N -0.584 119.316 119.914 -0.024 0.000 2.295 298 V HA -0.209 3.915 4.120 0.007 0.000 0.246 298 V C 2.417 178.492 176.094 -0.031 0.000 1.049 298 V CA 1.537 63.824 62.300 -0.022 0.000 1.024 298 V CB -1.289 30.524 31.823 -0.016 0.000 0.648 298 V HN 0.041 nan 8.190 nan 0.000 0.447 299 L N -0.728 120.469 121.223 -0.043 0.000 2.131 299 L HA -0.099 4.245 4.340 0.007 0.000 0.210 299 L C 2.068 178.885 176.870 -0.088 0.000 1.092 299 L CA 1.787 56.589 54.840 -0.063 0.000 0.759 299 L CB -0.512 41.503 42.059 -0.073 0.000 0.903 299 L HN 0.180 nan 8.230 nan 0.000 0.435 300 L N -0.738 120.436 121.223 -0.082 0.000 2.179 300 L HA -0.100 4.244 4.340 0.007 0.000 0.208 300 L C 2.487 179.322 176.870 -0.058 0.000 1.096 300 L CA 1.396 56.182 54.840 -0.089 0.000 0.779 300 L CB -0.796 41.221 42.059 -0.071 0.000 0.922 300 L HN 0.409 nan 8.230 nan 0.000 0.443 301 E N 0.531 120.708 120.200 -0.038 0.000 2.072 301 E HA -0.254 4.100 4.350 0.007 0.000 0.190 301 E C 2.048 178.640 176.600 -0.015 0.000 0.982 301 E CA 1.153 57.541 56.400 -0.020 0.000 0.803 301 E CB 0.099 29.791 29.700 -0.014 0.000 0.755 301 E HN 0.585 nan 8.360 nan 0.000 0.453 302 K N 0.292 120.682 120.400 -0.017 0.000 2.283 302 K HA -0.089 4.235 4.320 0.007 0.000 0.202 302 K C 1.849 178.452 176.600 0.004 0.000 1.048 302 K CA 1.059 57.345 56.287 -0.003 0.000 0.948 302 K CB -0.123 32.379 32.500 0.003 0.000 0.742 302 K HN 0.199 nan 8.250 nan 0.000 0.458 303 L N 0.911 122.123 121.223 -0.019 0.000 2.592 303 L HA 0.137 4.481 4.340 0.007 0.000 0.227 303 L C 0.201 177.095 176.870 0.039 0.000 1.127 303 L CA -0.001 54.841 54.840 0.004 0.000 0.884 303 L CB -0.401 41.572 42.059 -0.143 0.000 1.065 303 L HN 0.356 nan 8.230 nan 0.000 0.457 304 E N 1.617 121.825 120.200 0.013 0.000 2.271 304 E HA -0.226 4.129 4.350 0.007 0.000 0.223 304 E C -0.379 176.242 176.600 0.035 0.000 1.223 304 E CA -0.006 56.406 56.400 0.021 0.000 0.704 304 E CB -0.923 28.791 29.700 0.024 0.000 1.194 304 E HN 0.472 nan 8.360 nan 0.000 0.375 305 I N 1.791 122.370 120.570 0.016 0.000 2.347 305 I HA 0.214 4.388 4.170 0.007 0.000 0.283 305 I C 0.236 176.358 176.117 0.009 0.000 1.058 305 I CA -0.749 60.566 61.300 0.026 0.000 1.202 305 I CB 1.299 39.301 38.000 0.002 0.000 1.386 305 I HN 0.017 nan 8.210 nan 0.000 0.475 306 V N 8.014 127.939 119.914 0.018 0.000 2.432 306 V HA 0.399 4.523 4.120 0.007 0.000 0.271 306 V C 0.045 176.147 176.094 0.013 0.000 1.046 306 V CA -0.260 62.047 62.300 0.011 0.000 0.945 306 V CB 1.149 32.980 31.823 0.013 0.000 0.992 306 V HN 0.507 nan 8.190 nan 0.000 0.471 307 L N 7.183 128.410 121.223 0.007 0.000 2.357 307 L HA 0.601 4.945 4.340 0.007 0.000 0.273 307 L C 0.121 176.997 176.870 0.010 0.000 1.080 307 L CA -0.707 54.138 54.840 0.008 0.000 0.803 307 L CB 1.151 43.211 42.059 0.001 0.000 1.174 307 L HN 0.445 nan 8.230 nan 0.000 0.443 308 K N 1.492 121.900 120.400 0.013 0.000 2.235 308 K HA 0.364 4.688 4.320 0.007 0.000 0.266 308 K C 0.661 177.269 176.600 0.012 0.000 0.980 308 K CA 0.296 56.591 56.287 0.013 0.000 0.849 308 K CB 1.628 34.138 32.500 0.017 0.000 1.098 308 K HN 0.788 nan 8.250 nan 0.000 0.445 309 G N 4.417 113.223 108.800 0.010 0.000 2.740 309 G HA2 -0.438 3.526 3.960 0.007 0.000 0.365 309 G HA3 -0.438 3.526 3.960 0.007 0.000 0.365 309 G C 0.881 175.787 174.900 0.010 0.000 1.135 309 G CA 1.092 46.198 45.100 0.010 0.000 0.948 309 G HN 0.703 nan 8.290 nan 0.000 0.629 310 D N 1.273 121.680 120.400 0.012 0.000 2.221 310 D HA -0.037 4.607 4.640 0.007 0.000 0.204 310 D C 2.351 178.658 176.300 0.013 0.000 0.982 310 D CA 1.459 55.467 54.000 0.012 0.000 0.857 310 D CB -0.271 40.538 40.800 0.014 0.000 0.934 310 D HN 0.766 nan 8.370 nan 0.000 0.475 311 E N 0.438 120.645 120.200 0.012 0.000 2.347 311 E HA -0.053 4.302 4.350 0.007 0.000 0.196 311 E C 1.516 178.120 176.600 0.006 0.000 1.008 311 E CA 0.386 56.792 56.400 0.010 0.000 0.852 311 E CB 0.099 29.806 29.700 0.012 0.000 0.783 311 E HN 0.234 nan 8.360 nan 0.000 0.505 312 K N 0.655 121.059 120.400 0.006 0.000 2.555 312 K HA -0.067 4.257 4.320 0.007 0.000 0.193 312 K C 1.067 177.671 176.600 0.007 0.000 1.032 312 K CA 0.495 56.784 56.287 0.004 0.000 1.004 312 K CB 0.265 32.767 32.500 0.004 0.000 0.804 312 K HN 0.025 nan 8.250 nan 0.000 0.496 313 D N 0.151 120.557 120.400 0.010 0.000 2.479 313 D HA 0.083 4.727 4.640 0.007 0.000 0.216 313 D C 0.309 176.622 176.300 0.022 0.000 1.110 313 D CA -0.046 53.963 54.000 0.015 0.000 0.841 313 D CB 0.616 41.424 40.800 0.012 0.000 1.040 313 D HN 0.032 nan 8.370 nan 0.000 0.505 314 L N 1.368 122.603 121.223 0.019 0.000 2.482 314 L HA 0.135 4.479 4.340 0.007 0.000 0.273 314 L C 0.526 177.420 176.870 0.040 0.000 1.228 314 L CA 0.695 55.550 54.840 0.024 0.000 0.827 314 L CB 0.536 42.601 42.059 0.010 0.000 1.099 314 L HN -0.074 nan 8.230 nan 0.000 0.494 315 E N -0.339 119.901 120.200 0.067 0.000 2.449 315 E HA 0.524 4.878 4.350 0.007 0.000 0.278 315 E C 0.016 176.678 176.600 0.103 0.000 0.992 315 E CA -0.338 56.143 56.400 0.135 0.000 0.807 315 E CB 1.713 31.583 29.700 0.282 0.000 1.350 315 E HN 0.714 nan 8.360 nan 0.000 0.462 316 G N 1.275 110.084 108.800 0.015 0.000 2.582 316 G HA2 -0.401 3.563 3.960 0.007 0.000 0.288 316 G HA3 -0.401 3.563 3.960 0.007 0.000 0.288 316 G C 0.643 175.443 174.900 -0.167 0.000 1.247 316 G CA 0.718 45.728 45.100 -0.151 0.000 0.972 316 G HN 0.556 nan 8.290 nan 0.000 0.557 317 K N 0.472 120.803 120.400 -0.115 0.000 2.103 317 K HA 0.031 4.355 4.320 0.007 0.000 0.207 317 K C 3.103 179.640 176.600 -0.104 0.000 1.048 317 K CA 1.665 57.865 56.287 -0.145 0.000 0.930 317 K CB -0.410 32.053 32.500 -0.061 0.000 0.716 317 K HN 0.668 nan 8.250 nan 0.000 0.444 318 A N 1.403 124.202 122.820 -0.035 0.000 1.908 318 A HA -0.193 4.131 4.320 0.007 0.000 0.218 318 A C 2.077 179.641 177.584 -0.034 0.000 1.181 318 A CA 1.381 53.412 52.037 -0.010 0.000 0.627 318 A CB -0.470 18.541 19.000 0.019 0.000 0.818 318 A HN 0.242 nan 8.150 nan 0.000 0.445 319 L N -1.037 120.150 121.223 -0.060 0.000 2.068 319 L HA 0.006 4.350 4.340 0.007 0.000 0.204 319 L C 2.220 179.010 176.870 -0.133 0.000 1.076 319 L CA 1.873 56.667 54.840 -0.077 0.000 0.753 319 L CB -0.698 41.316 42.059 -0.075 0.000 0.910 319 L HN 0.334 nan 8.230 nan 0.000 0.439 320 L N 0.131 121.222 121.223 -0.221 0.000 2.081 320 L HA -0.258 4.086 4.340 0.007 0.000 0.212 320 L C 2.559 179.268 176.870 -0.269 0.000 1.080 320 L CA 2.229 56.863 54.840 -0.343 0.000 0.754 320 L CB -0.831 40.901 42.059 -0.545 0.000 0.893 320 L HN 0.437 nan 8.230 nan 0.000 0.433 321 K N -1.190 119.102 120.400 -0.179 0.000 2.026 321 K HA -0.132 4.192 4.320 0.007 0.000 0.208 321 K C 1.879 178.502 176.600 0.038 0.000 1.048 321 K CA 1.839 58.107 56.287 -0.031 0.000 0.929 321 K CB -0.141 32.384 32.500 0.041 0.000 0.713 321 K HN 0.285 nan 8.250 nan 0.000 0.439 322 V N 0.882 120.801 119.914 0.008 0.000 2.295 322 V HA -0.230 3.894 4.120 0.007 0.000 0.246 322 V C 2.371 178.483 176.094 0.031 0.000 1.049 322 V CA 1.608 63.926 62.300 0.030 0.000 1.024 322 V CB -0.213 31.618 31.823 0.014 0.000 0.648 322 V HN 0.178 nan 8.190 nan 0.000 0.447 323 V N -0.578 119.325 119.914 -0.019 0.000 2.332 323 V HA -0.294 3.831 4.120 0.007 0.000 0.248 323 V C 2.453 178.572 176.094 0.042 0.000 1.055 323 V CA 1.921 64.207 62.300 -0.024 0.000 1.038 323 V CB -0.607 31.152 31.823 -0.107 0.000 0.651 323 V HN 0.422 nan 8.190 nan 0.000 0.450 324 M N -0.807 118.802 119.600 0.015 0.000 2.394 324 M HA -0.041 4.443 4.480 0.007 0.000 0.264 324 M C 2.223 178.672 176.300 0.249 0.000 1.073 324 M CA 1.383 56.733 55.300 0.083 0.000 1.111 324 M CB -1.073 31.432 32.600 -0.159 0.000 1.401 324 M HN 0.284 nan 8.290 nan 0.000 0.448 325 R N -0.201 120.429 120.500 0.216 0.000 2.153 325 R HA -0.063 4.281 4.340 0.007 0.000 0.218 325 R C 2.131 178.533 176.300 0.171 0.000 1.072 325 R CA 0.872 57.104 56.100 0.220 0.000 0.990 325 R CB 0.049 30.454 30.300 0.174 0.000 0.889 325 R HN 0.274 nan 8.270 nan 0.000 0.452 326 K N -0.484 120.009 120.400 0.154 0.000 2.323 326 K HA -0.017 4.307 4.320 0.007 0.000 0.197 326 K C 1.417 178.128 176.600 0.184 0.000 1.043 326 K CA 0.316 56.683 56.287 0.133 0.000 0.997 326 K CB 0.153 32.712 32.500 0.099 0.000 0.807 326 K HN -0.015 nan 8.250 nan 0.000 0.497 327 F N 1.112 121.083 119.950 0.035 0.000 2.094 327 F HA 0.172 4.703 4.527 0.006 0.000 0.291 327 F C 0.255 176.081 175.800 0.043 0.000 1.109 327 F CA 0.844 58.856 58.000 0.020 0.000 1.221 327 F CB 0.329 39.331 39.000 0.002 0.000 1.014 327 F HN -0.182 nan 8.300 nan 0.000 0.473 328 L N 1.815 123.035 121.223 -0.004 0.000 2.481 328 L HA 0.345 4.689 4.340 0.007 0.000 0.255 328 L C -2.583 174.393 176.870 0.176 0.000 1.192 328 L CA -2.015 52.803 54.840 -0.037 0.000 0.924 328 L CB 1.141 43.211 42.059 0.019 0.000 1.179 328 L HN -0.147 nan 8.230 nan 0.000 0.491 329 P HA -0.016 nan 4.420 nan 0.000 0.261 329 P C 0.667 178.039 177.300 0.119 0.000 1.183 329 P CA 0.274 63.447 63.100 0.122 0.000 0.761 329 P CB 1.292 33.032 31.700 0.067 0.000 0.785 330 A N 5.113 128.010 122.820 0.129 0.000 1.877 330 A HA -0.162 4.162 4.320 0.007 0.000 0.216 330 A C 2.133 179.732 177.584 0.024 0.000 1.186 330 A CA 2.065 54.147 52.037 0.076 0.000 0.620 330 A CB -1.517 17.505 19.000 0.036 0.000 0.822 330 A HN 0.516 nan 8.150 nan 0.000 0.443 331 A N -0.139 122.694 122.820 0.022 0.000 1.972 331 A HA -0.184 4.140 4.320 0.007 0.000 0.219 331 A C 1.743 179.319 177.584 -0.012 0.000 1.169 331 A CA 1.801 53.837 52.037 -0.000 0.000 0.635 331 A CB -0.523 18.481 19.000 0.008 0.000 0.810 331 A HN 0.507 nan 8.150 nan 0.000 0.446 332 D N 0.098 120.497 120.400 -0.002 0.000 2.144 332 D HA -0.035 4.609 4.640 0.007 0.000 0.200 332 D C 2.240 178.525 176.300 -0.025 0.000 0.978 332 D CA 1.372 55.362 54.000 -0.017 0.000 0.833 332 D CB -0.331 40.462 40.800 -0.011 0.000 0.961 332 D HN 0.439 nan 8.370 nan 0.000 0.470 333 A N 0.944 123.758 122.820 -0.009 0.000 1.902 333 A HA -0.113 4.211 4.320 0.007 0.000 0.217 333 A C 2.413 179.962 177.584 -0.058 0.000 1.181 333 A CA 0.883 52.910 52.037 -0.017 0.000 0.623 333 A CB -0.692 18.313 19.000 0.008 0.000 0.818 333 A HN 0.170 nan 8.150 nan 0.000 0.443 334 L N -0.726 120.458 121.223 -0.064 0.000 2.005 334 L HA -0.138 4.206 4.340 0.007 0.000 0.207 334 L C 2.547 179.372 176.870 -0.075 0.000 1.072 334 L CA 1.033 55.824 54.840 -0.081 0.000 0.744 334 L CB -0.733 41.282 42.059 -0.072 0.000 0.895 334 L HN 0.325 nan 8.230 nan 0.000 0.433 335 L N -0.172 121.010 121.223 -0.068 0.000 2.079 335 L HA -0.245 4.099 4.340 0.007 0.000 0.210 335 L C 2.674 179.478 176.870 -0.109 0.000 1.081 335 L CA 1.295 56.084 54.840 -0.085 0.000 0.752 335 L CB -0.534 41.476 42.059 -0.081 0.000 0.896 335 L HN 0.390 nan 8.230 nan 0.000 0.433 336 E N 0.347 120.493 120.200 -0.090 0.000 2.038 336 E HA -0.256 4.098 4.350 0.007 0.000 0.195 336 E C 2.354 178.913 176.600 -0.067 0.000 1.000 336 E CA 1.469 57.817 56.400 -0.088 0.000 0.803 336 E CB -0.033 29.636 29.700 -0.050 0.000 0.750 336 E HN 0.440 nan 8.360 nan 0.000 0.448 337 M N 0.226 119.796 119.600 -0.049 0.000 2.132 337 M HA -0.148 4.336 4.480 0.007 0.000 0.263 337 M C 2.376 178.665 176.300 -0.018 0.000 1.065 337 M CA 1.181 56.473 55.300 -0.013 0.000 1.122 337 M CB -0.273 32.274 32.600 -0.088 0.000 1.365 337 M HN 0.199 nan 8.290 nan 0.000 0.411 338 I N -0.437 120.095 120.570 -0.063 0.000 2.179 338 I HA -0.258 3.916 4.170 0.007 0.000 0.242 338 I C 2.302 178.362 176.117 -0.096 0.000 1.088 338 I CA 1.191 62.453 61.300 -0.065 0.000 1.357 338 I CB -0.463 37.497 38.000 -0.068 0.000 1.051 338 I HN 0.075 nan 8.210 nan 0.000 0.409 339 V N 0.827 120.633 119.914 -0.181 0.000 2.453 339 V HA -0.184 3.940 4.120 0.007 0.000 0.247 339 V C 2.194 178.096 176.094 -0.320 0.000 1.048 339 V CA 1.428 63.522 62.300 -0.343 0.000 1.049 339 V CB -0.331 31.121 31.823 -0.619 0.000 0.672 339 V HN 0.368 nan 8.190 nan 0.000 0.457 340 L N -1.289 119.792 121.223 -0.238 0.000 2.375 340 L HA 0.069 4.413 4.340 0.007 0.000 0.215 340 L C 2.097 178.742 176.870 -0.375 0.000 1.108 340 L CA 0.947 55.620 54.840 -0.277 0.000 0.830 340 L CB -0.289 41.637 42.059 -0.222 0.000 0.959 340 L HN 0.435 nan 8.230 nan 0.000 0.457 341 H N -1.574 117.443 119.070 -0.089 0.000 3.440 341 H HA 0.335 4.896 4.556 0.008 0.000 0.259 341 H C 0.403 175.705 175.328 -0.043 0.000 1.120 341 H CA -0.195 55.818 56.048 -0.060 0.000 1.191 341 H CB 1.274 30.994 29.762 -0.070 0.000 1.537 341 H HN 0.104 nan 8.280 nan 0.000 0.547 342 L N 4.715 125.964 121.223 0.044 0.000 2.305 342 L HA 0.239 4.583 4.340 0.007 0.000 0.281 342 L C -2.068 174.821 176.870 0.032 0.000 1.085 342 L CA -1.734 53.125 54.840 0.032 0.000 0.813 342 L CB 1.255 43.320 42.059 0.009 0.000 1.157 342 L HN -0.137 nan 8.230 nan 0.000 0.436 343 P HA 0.020 nan 4.420 nan 0.000 0.268 343 P C -0.454 176.870 177.300 0.040 0.000 1.204 343 P CA -0.258 62.881 63.100 0.066 0.000 0.768 343 P CB 0.856 32.627 31.700 0.117 0.000 0.842 344 S N 3.276 118.998 115.700 0.036 0.000 2.624 344 S HA 0.266 4.741 4.470 0.007 0.000 0.263 344 S C -1.671 172.924 174.600 -0.009 0.000 1.287 344 S CA -1.128 57.087 58.200 0.025 0.000 0.990 344 S CB -0.148 63.076 63.200 0.040 0.000 0.950 344 S HN 0.237 nan 8.310 nan 0.000 0.561 345 P HA -0.096 nan 4.420 nan 0.000 0.216 345 P C 1.551 178.819 177.300 -0.052 0.000 1.150 345 P CA 0.744 63.812 63.100 -0.053 0.000 0.843 345 P CB -0.207 31.449 31.700 -0.074 0.000 0.787 346 V N -0.551 119.342 119.914 -0.035 0.000 2.295 346 V HA -0.249 3.875 4.120 0.007 0.000 0.246 346 V C 2.310 178.377 176.094 -0.045 0.000 1.049 346 V CA 2.636 64.918 62.300 -0.031 0.000 1.024 346 V CB -1.854 29.961 31.823 -0.014 0.000 0.648 346 V HN 0.187 nan 8.190 nan 0.000 0.447 347 T N 0.161 114.697 114.554 -0.031 0.000 2.821 347 T HA -0.065 4.289 4.350 0.007 0.000 0.267 347 T C 1.983 176.603 174.700 -0.134 0.000 1.046 347 T CA 1.523 63.615 62.100 -0.014 0.000 1.139 347 T CB -0.306 68.591 68.868 0.048 0.000 0.871 347 T HN 0.558 nan 8.240 nan 0.000 0.454 348 A N 1.256 123.935 122.820 -0.234 0.000 1.903 348 A HA -0.002 4.322 4.320 0.007 0.000 0.213 348 A C 2.202 179.326 177.584 -0.766 0.000 1.185 348 A CA 0.781 52.442 52.037 -0.627 0.000 0.628 348 A CB -0.477 18.373 19.000 -0.249 0.000 0.830 348 A HN 0.462 nan 8.150 nan 0.000 0.446 349 Q N -0.378 119.234 119.800 -0.314 0.000 2.364 349 Q HA -0.063 4.281 4.340 0.007 0.000 0.209 349 Q C 2.141 178.022 176.000 -0.198 0.000 0.977 349 Q CA 0.855 56.557 55.803 -0.170 0.000 0.885 349 Q CB -0.339 28.404 28.738 0.008 0.000 0.941 349 Q HN 0.696 nan 8.270 nan 0.000 0.464 350 A N 0.685 123.360 122.820 -0.241 0.000 2.015 350 A HA -0.166 4.158 4.320 0.007 0.000 0.219 350 A C 1.411 178.973 177.584 -0.036 0.000 1.163 350 A CA 1.170 53.145 52.037 -0.104 0.000 0.646 350 A CB -0.364 18.617 19.000 -0.031 0.000 0.806 350 A HN 0.618 nan 8.150 nan 0.000 0.448 351 Y N -4.220 116.084 120.300 0.006 0.000 2.500 351 Y HA 0.562 5.116 4.550 0.008 0.000 0.246 351 Y C 1.492 177.387 175.900 -0.007 0.000 1.146 351 Y CA -0.468 57.631 58.100 -0.002 0.000 1.230 351 Y CB 0.018 38.477 38.460 -0.000 0.000 1.214 351 Y HN 0.060 nan 8.280 nan 0.000 0.526 352 R N 0.110 120.555 120.500 -0.091 0.000 2.404 352 R HA 0.409 4.753 4.340 0.007 0.000 0.237 352 R C 2.030 178.282 176.300 -0.080 0.000 0.907 352 R CA 0.638 56.716 56.100 -0.036 0.000 1.063 352 R CB 0.332 30.577 30.300 -0.092 0.000 1.134 352 R HN 0.381 nan 8.270 nan 0.000 0.529 353 A N 1.536 124.306 122.820 -0.083 0.000 1.858 353 A HA -0.185 4.139 4.320 0.007 0.000 0.216 353 A C 1.713 179.272 177.584 -0.041 0.000 1.190 353 A CA 1.325 53.305 52.037 -0.094 0.000 0.617 353 A CB -0.295 18.657 19.000 -0.080 0.000 0.827 353 A HN 0.267 nan 8.150 nan 0.000 0.443 354 E N -0.881 119.315 120.200 -0.007 0.000 2.209 354 E HA -0.254 4.100 4.350 0.007 0.000 0.196 354 E C 2.130 178.747 176.600 0.027 0.000 0.993 354 E CA 1.312 57.727 56.400 0.025 0.000 0.819 354 E CB -0.090 29.625 29.700 0.024 0.000 0.745 354 E HN 0.822 nan 8.360 nan 0.000 0.477 355 Q N 0.232 120.034 119.800 0.004 0.000 2.302 355 Q HA -0.013 4.331 4.340 0.007 0.000 0.202 355 Q C 1.705 177.683 176.000 -0.037 0.000 0.936 355 Q CA 0.359 56.157 55.803 -0.008 0.000 0.886 355 Q CB 0.355 29.092 28.738 -0.002 0.000 0.986 355 Q HN 0.275 nan 8.270 nan 0.000 0.487 356 L N 0.182 121.360 121.223 -0.075 0.000 2.607 356 L HA 0.186 4.531 4.340 0.007 0.000 0.228 356 L C -0.298 176.557 176.870 -0.025 0.000 1.123 356 L CA -0.193 54.561 54.840 -0.144 0.000 0.890 356 L CB 0.401 42.225 42.059 -0.392 0.000 1.103 356 L HN 0.168 nan 8.230 nan 0.000 0.468 357 Y N 0.971 121.208 120.300 -0.105 0.000 2.334 357 Y HA 0.235 4.789 4.550 0.007 0.000 0.336 357 Y C 0.676 176.552 175.900 -0.039 0.000 0.960 357 Y CA -0.957 57.109 58.100 -0.057 0.000 1.164 357 Y CB 0.988 39.415 38.460 -0.054 0.000 1.155 357 Y HN -0.042 nan 8.280 nan 0.000 0.478 358 E N 4.937 124.871 120.200 -0.443 0.000 2.545 358 E HA 0.252 4.606 4.350 0.007 0.000 0.271 358 E C 0.088 176.356 176.600 -0.552 0.000 1.508 358 E CA 0.083 56.275 56.400 -0.347 0.000 1.774 358 E CB -0.074 29.507 29.700 -0.198 0.000 1.460 358 E HN 0.893 nan 8.360 nan 0.000 0.449 359 G N 1.250 109.711 108.800 -0.565 0.000 2.706 359 G HA2 0.342 4.306 3.960 0.007 0.000 0.307 359 G HA3 0.342 4.306 3.960 0.007 0.000 0.307 359 G C -2.827 172.075 174.900 0.004 0.000 1.307 359 G CA -0.900 43.893 45.100 -0.512 0.000 0.790 359 G HN -0.066 nan 8.290 nan 0.000 0.503 360 P HA 0.242 nan 4.420 nan 0.000 0.265 360 P C 0.711 178.081 177.300 0.117 0.000 1.187 360 P CA 0.648 63.795 63.100 0.080 0.000 0.766 360 P CB 1.428 33.177 31.700 0.082 0.000 0.820 361 A N 3.348 126.201 122.820 0.055 0.000 1.968 361 A HA -0.150 4.174 4.320 0.007 0.000 0.217 361 A C 1.262 178.837 177.584 -0.015 0.000 1.169 361 A CA 1.596 53.648 52.037 0.025 0.000 0.638 361 A CB -0.857 18.153 19.000 0.017 0.000 0.812 361 A HN 0.610 nan 8.150 nan 0.000 0.446 362 D N -0.474 119.923 120.400 -0.004 0.000 2.336 362 D HA 0.148 4.792 4.640 0.007 0.000 0.228 362 D C 0.082 176.370 176.300 -0.020 0.000 1.120 362 D CA -0.239 53.752 54.000 -0.015 0.000 0.839 362 D CB -0.439 40.359 40.800 -0.002 0.000 0.932 362 D HN 0.293 nan 8.370 nan 0.000 0.509 363 D N -0.108 120.274 120.400 -0.030 0.000 2.400 363 D HA 0.234 4.878 4.640 0.007 0.000 0.238 363 D C 1.451 177.706 176.300 -0.074 0.000 1.157 363 D CA 0.295 54.280 54.000 -0.026 0.000 0.889 363 D CB 1.107 41.902 40.800 -0.009 0.000 1.199 363 D HN 0.060 nan 8.370 nan 0.000 0.436 364 A N 2.941 125.739 122.820 -0.036 0.000 2.019 364 A HA -0.196 4.128 4.320 0.007 0.000 0.219 364 A C 1.725 179.262 177.584 -0.077 0.000 1.164 364 A CA 1.455 53.468 52.037 -0.040 0.000 0.644 364 A CB -0.465 18.530 19.000 -0.008 0.000 0.805 364 A HN 0.678 nan 8.150 nan 0.000 0.449 365 N N -1.260 117.362 118.700 -0.131 0.000 2.336 365 N HA -0.056 4.688 4.740 0.007 0.000 0.177 365 N C 1.575 176.876 175.510 -0.347 0.000 1.018 365 N CA 1.095 54.033 53.050 -0.187 0.000 0.878 365 N CB -0.665 37.745 38.487 -0.128 0.000 0.997 365 N HN 0.505 nan 8.380 nan 0.000 0.433 366 C N 0.661 119.613 119.300 -0.580 0.000 2.425 366 C HA 0.100 4.565 4.460 0.007 0.000 0.277 366 C C 2.343 177.191 174.990 -0.238 0.000 1.280 366 C CA 0.422 59.114 59.018 -0.544 0.000 1.744 366 C CB -1.163 26.252 27.740 -0.542 0.000 1.989 366 C HN 0.388 nan 8.230 nan 0.000 0.491 367 I N 1.366 121.835 120.570 -0.167 0.000 2.315 367 I HA -0.136 4.038 4.170 0.007 0.000 0.248 367 I C 2.816 178.890 176.117 -0.073 0.000 1.117 367 I CA 1.538 62.783 61.300 -0.092 0.000 1.404 367 I CB -0.550 37.412 38.000 -0.064 0.000 1.071 367 I HN 0.388 nan 8.210 nan 0.000 0.419 368 A N 0.728 123.501 122.820 -0.079 0.000 2.067 368 A HA -0.104 4.220 4.320 0.007 0.000 0.219 368 A C 2.235 179.803 177.584 -0.027 0.000 1.158 368 A CA 1.245 53.255 52.037 -0.045 0.000 0.661 368 A CB -0.627 18.351 19.000 -0.037 0.000 0.801 368 A HN 0.422 nan 8.150 nan 0.000 0.452 369 I N -0.892 119.648 120.570 -0.050 0.000 2.480 369 I HA -0.145 4.029 4.170 0.007 0.000 0.251 369 I C 2.405 178.518 176.117 -0.007 0.000 1.124 369 I CA 1.434 62.732 61.300 -0.003 0.000 1.444 369 I CB -0.172 37.796 38.000 -0.053 0.000 1.098 369 I HN 0.384 nan 8.210 nan 0.000 0.428 370 K N 1.278 121.653 120.400 -0.042 0.000 2.148 370 K HA -0.125 4.199 4.320 0.007 0.000 0.204 370 K C 1.442 178.026 176.600 -0.027 0.000 1.050 370 K CA 1.451 57.715 56.287 -0.039 0.000 0.942 370 K CB 0.073 32.550 32.500 -0.038 0.000 0.724 370 K HN 0.252 nan 8.250 nan 0.000 0.446 371 N N 0.290 118.978 118.700 -0.020 0.000 2.353 371 N HA -0.058 4.687 4.740 0.007 0.000 0.185 371 N C 0.082 175.586 175.510 -0.010 0.000 1.098 371 N CA 0.769 53.810 53.050 -0.015 0.000 0.872 371 N CB -0.082 38.397 38.487 -0.014 0.000 0.970 371 N HN 0.308 nan 8.380 nan 0.000 0.467 372 C N 2.321 121.620 119.300 -0.001 0.000 4.235 372 C HA -0.217 4.247 4.460 0.007 0.000 0.301 372 C C -0.008 174.981 174.990 -0.002 0.000 1.409 372 C CA -0.496 58.525 59.018 0.005 0.000 2.024 372 C CB -2.509 25.226 27.740 -0.009 0.000 1.286 372 C HN 0.394 nan 8.230 nan 0.000 0.746 373 D N 1.492 121.892 120.400 -0.001 0.000 2.346 373 D HA 0.241 4.885 4.640 0.007 0.000 0.260 373 D C -0.313 175.986 176.300 -0.002 0.000 1.252 373 D CA -1.674 52.323 54.000 -0.004 0.000 0.895 373 D CB 0.937 41.733 40.800 -0.008 0.000 1.097 373 D HN 0.451 nan 8.370 nan 0.000 0.489 374 P HA -0.008 nan 4.420 nan 0.000 0.249 374 P C 0.477 177.774 177.300 -0.005 0.000 1.229 374 P CA 0.237 63.334 63.100 -0.006 0.000 0.788 374 P CB 0.532 32.226 31.700 -0.011 0.000 1.072 375 K N -0.593 119.805 120.400 -0.004 0.000 2.348 375 K HA 0.274 4.598 4.320 0.007 0.000 0.194 375 K C 1.388 177.987 176.600 -0.002 0.000 1.052 375 K CA 0.046 56.330 56.287 -0.004 0.000 1.004 375 K CB 0.153 32.650 32.500 -0.005 0.000 0.873 375 K HN 0.067 nan 8.250 nan 0.000 0.523 376 A N 1.643 124.462 122.820 -0.002 0.000 2.267 376 A HA 0.164 4.488 4.320 0.007 0.000 0.271 376 A C -0.212 177.375 177.584 0.004 0.000 1.131 376 A CA -0.380 51.656 52.037 -0.001 0.000 0.818 376 A CB 0.054 19.051 19.000 -0.006 0.000 1.118 376 A HN 0.087 nan 8.150 nan 0.000 0.501 377 D N -0.100 120.304 120.400 0.007 0.000 2.472 377 D HA 0.184 4.828 4.640 0.007 0.000 0.237 377 D C 0.101 176.415 176.300 0.023 0.000 1.141 377 D CA 0.232 54.240 54.000 0.013 0.000 0.875 377 D CB 0.342 41.153 40.800 0.018 0.000 1.192 377 D HN 0.355 nan 8.370 nan 0.000 0.450 378 L N 2.866 124.103 121.223 0.023 0.000 2.490 378 L HA 0.019 4.363 4.340 0.007 0.000 0.274 378 L C -0.026 176.880 176.870 0.060 0.000 1.201 378 L CA 0.698 55.559 54.840 0.033 0.000 0.869 378 L CB 0.162 42.232 42.059 0.020 0.000 1.123 378 L HN 0.279 nan 8.230 nan 0.000 0.484 379 M N 7.392 127.047 119.600 0.091 0.000 2.353 379 M HA 0.264 4.748 4.480 0.007 0.000 0.218 379 M C -1.005 175.422 176.300 0.211 0.000 1.044 379 M CA -0.166 55.224 55.300 0.150 0.000 0.615 379 M CB 0.581 33.280 32.600 0.164 0.000 1.531 379 M HN 0.530 nan 8.290 nan 0.000 0.378 380 L N 1.192 122.506 121.223 0.153 0.000 2.312 380 L HA 0.432 4.776 4.340 0.007 0.000 0.281 380 L C -1.241 175.759 176.870 0.216 0.000 1.070 380 L CA -0.532 54.401 54.840 0.155 0.000 0.805 380 L CB 1.212 43.305 42.059 0.056 0.000 1.174 380 L HN 0.466 nan 8.230 nan 0.000 0.434 381 Y N 4.238 124.635 120.300 0.163 0.000 2.330 381 Y HA 0.463 5.017 4.550 0.007 0.000 0.336 381 Y C -0.642 175.300 175.900 0.070 0.000 1.036 381 Y CA -0.589 57.612 58.100 0.168 0.000 1.125 381 Y CB 1.550 40.213 38.460 0.337 0.000 1.194 381 Y HN 0.253 nan 8.280 nan 0.000 0.469 382 V N 6.785 126.501 119.914 -0.329 0.000 2.304 382 V HA 0.087 4.211 4.120 0.007 0.000 0.269 382 V C 0.629 176.610 176.094 -0.188 0.000 1.036 382 V CA 0.364 62.559 62.300 -0.175 0.000 0.840 382 V CB 0.538 32.284 31.823 -0.127 0.000 1.036 382 V HN 1.001 nan 8.190 nan 0.000 0.466 383 S N 4.008 119.790 115.700 0.137 0.000 2.414 383 S HA 0.068 4.542 4.470 0.007 0.000 0.227 383 S C 0.576 175.295 174.600 0.198 0.000 1.022 383 S CA 0.355 58.749 58.200 0.322 0.000 0.958 383 S CB -0.017 63.461 63.200 0.463 0.000 0.797 383 S HN 0.856 nan 8.310 nan 0.000 0.493 384 K N -1.062 119.448 120.400 0.184 0.000 2.672 384 K HA 0.522 4.846 4.320 0.007 0.000 0.295 384 K C -1.676 174.968 176.600 0.073 0.000 1.042 384 K CA -1.075 55.251 56.287 0.065 0.000 0.869 384 K CB 0.585 33.125 32.500 0.067 0.000 1.541 384 K HN -0.081 nan 8.250 nan 0.000 0.396 385 M N 2.014 121.593 119.600 -0.035 0.000 2.227 385 M HA 0.361 4.845 4.480 0.007 0.000 0.335 385 M C -1.003 175.335 176.300 0.063 0.000 1.053 385 M CA -0.918 54.382 55.300 -0.000 0.000 0.973 385 M CB 1.342 33.829 32.600 -0.189 0.000 1.623 385 M HN 0.519 nan 8.290 nan 0.000 0.434 386 V N 5.314 125.356 119.914 0.213 0.000 2.398 386 V HA 0.400 4.524 4.120 0.007 0.000 0.286 386 V C -2.171 174.099 176.094 0.294 0.000 1.026 386 V CA -1.784 60.627 62.300 0.185 0.000 0.868 386 V CB 1.608 33.477 31.823 0.077 0.000 0.982 386 V HN 0.612 nan 8.190 nan 0.000 0.443 387 P HA 0.223 nan 4.420 nan 0.000 0.268 387 P C -0.082 177.099 177.300 -0.197 0.000 1.204 387 P CA 0.310 63.414 63.100 0.008 0.000 0.768 387 P CB 0.493 32.231 31.700 0.064 0.000 0.842 388 T N -2.136 112.201 114.554 -0.363 0.000 2.864 388 T HA 0.407 4.761 4.350 0.007 0.000 0.289 388 T C 1.022 175.532 174.700 -0.317 0.000 1.082 388 T CA -0.240 61.604 62.100 -0.426 0.000 1.009 388 T CB 1.110 69.492 68.868 -0.810 0.000 1.234 388 T HN 0.221 nan 8.240 nan 0.000 0.526 389 S N -1.013 114.528 115.700 -0.265 0.000 2.501 389 S HA 0.071 4.545 4.470 0.007 0.000 0.220 389 S C 0.618 175.134 174.600 -0.140 0.000 0.997 389 S CA 0.313 58.410 58.200 -0.171 0.000 0.919 389 S CB -0.603 62.523 63.200 -0.123 0.000 0.778 389 S HN 0.802 nan 8.310 nan 0.000 0.523 390 D N 2.868 123.172 120.400 -0.159 0.000 2.441 390 D HA 0.230 4.874 4.640 0.007 0.000 0.243 390 D C 0.308 176.558 176.300 -0.084 0.000 1.257 390 D CA 0.266 54.221 54.000 -0.075 0.000 1.027 390 D CB -0.688 40.118 40.800 0.010 0.000 1.084 390 D HN 0.369 nan 8.370 nan 0.000 0.514 391 K N 1.088 121.439 120.400 -0.082 0.000 1.888 391 K HA -0.194 4.130 4.320 0.007 0.000 0.330 391 K C 1.020 177.528 176.600 -0.153 0.000 1.719 391 K CA 1.072 57.305 56.287 -0.090 0.000 0.669 391 K CB -1.350 31.113 32.500 -0.062 0.000 0.941 391 K HN 0.414 nan 8.250 nan 0.000 0.795 392 G N 1.034 109.737 108.800 -0.163 0.000 3.284 392 G HA2 0.031 3.995 3.960 0.007 0.000 0.236 392 G HA3 0.031 3.995 3.960 0.007 0.000 0.236 392 G C 0.021 174.679 174.900 -0.403 0.000 1.158 392 G CA -0.177 44.767 45.100 -0.261 0.000 0.774 392 G HN 0.087 nan 8.290 nan 0.000 0.545 393 R N -0.062 120.275 120.500 -0.271 0.000 2.641 393 R HA 0.346 4.690 4.340 0.007 0.000 0.269 393 R C -0.893 175.222 176.300 -0.308 0.000 1.074 393 R CA -0.167 55.827 56.100 -0.177 0.000 1.133 393 R CB 0.397 30.708 30.300 0.019 0.000 1.029 393 R HN 0.106 nan 8.270 nan 0.000 0.488 394 F N 0.736 120.742 119.950 0.093 0.000 2.492 394 F HA 0.312 4.844 4.527 0.007 0.000 0.327 394 F C -0.058 175.947 175.800 0.341 0.000 1.079 394 F CA -0.735 57.340 58.000 0.125 0.000 0.967 394 F CB 0.971 39.996 39.000 0.041 0.000 1.169 394 F HN 0.209 nan 8.300 nan 0.000 0.472 395 Y N 1.607 122.020 120.300 0.189 0.000 2.342 395 Y HA 0.570 5.124 4.550 0.007 0.000 0.338 395 Y C 0.390 176.380 175.900 0.150 0.000 0.965 395 Y CA -2.017 56.161 58.100 0.130 0.000 1.159 395 Y CB 0.815 39.333 38.460 0.097 0.000 1.157 395 Y HN 0.671 nan 8.280 nan 0.000 0.486 396 A N 4.612 127.560 122.820 0.214 0.000 2.511 396 A HA 0.298 4.622 4.320 0.007 0.000 0.242 396 A C -0.948 176.773 177.584 0.228 0.000 1.069 396 A CA 0.158 52.293 52.037 0.164 0.000 0.763 396 A CB -0.315 18.730 19.000 0.075 0.000 1.001 396 A HN 0.613 nan 8.150 nan 0.000 0.498 397 F N 2.156 122.147 119.950 0.067 0.000 2.529 397 F HA 0.678 5.209 4.527 0.007 0.000 0.320 397 F C 0.336 176.185 175.800 0.081 0.000 1.118 397 F CA 0.563 58.606 58.000 0.073 0.000 0.915 397 F CB 1.654 40.698 39.000 0.073 0.000 1.161 397 F HN 0.947 nan 8.300 nan 0.000 0.445 398 G N 4.909 113.259 108.800 -0.751 0.000 2.510 398 G HA2 0.464 4.429 3.960 0.007 0.000 0.277 398 G HA3 0.464 4.429 3.960 0.007 0.000 0.277 398 G C -2.054 172.569 174.900 -0.461 0.000 1.223 398 G CA -1.102 43.708 45.100 -0.483 0.000 0.887 398 G HN 0.773 nan 8.290 nan 0.000 0.485 399 R N -0.506 119.874 120.500 -0.200 0.000 2.584 399 R HA 0.563 4.907 4.340 0.007 0.000 0.276 399 R C -1.534 174.613 176.300 -0.256 0.000 1.046 399 R CA -0.546 55.370 56.100 -0.306 0.000 0.906 399 R CB 2.232 32.246 30.300 -0.476 0.000 1.215 399 R HN 0.422 nan 8.270 nan 0.000 0.449 400 V N 6.013 125.777 119.914 -0.250 0.000 2.387 400 V HA 0.189 4.313 4.120 0.007 0.000 0.260 400 V C 0.399 176.370 176.094 -0.205 0.000 1.054 400 V CA 0.089 62.309 62.300 -0.133 0.000 0.967 400 V CB 0.489 32.261 31.823 -0.084 0.000 1.036 400 V HN 0.744 nan 8.190 nan 0.000 0.481 401 F N 2.766 122.720 119.950 0.008 0.000 2.743 401 F HA 0.518 5.049 4.527 0.007 0.000 0.297 401 F C 1.200 176.991 175.800 -0.014 0.000 1.131 401 F CA 0.759 58.755 58.000 -0.007 0.000 1.426 401 F CB 0.347 39.352 39.000 0.008 0.000 1.116 401 F HN 0.594 nan 8.300 nan 0.000 0.583 402 A N -1.048 121.854 122.820 0.138 0.000 2.605 402 A HA 0.600 4.924 4.320 0.007 0.000 0.294 402 A C 0.174 177.783 177.584 0.041 0.000 1.062 402 A CA -0.303 51.777 52.037 0.072 0.000 0.682 402 A CB 0.242 19.282 19.000 0.068 0.000 1.278 402 A HN 0.656 nan 8.150 nan 0.000 0.410 403 G N 0.090 108.901 108.800 0.019 0.000 2.697 403 G HA2 0.380 4.344 3.960 0.007 0.000 0.240 403 G HA3 0.380 4.344 3.960 0.007 0.000 0.240 403 G C 0.206 175.107 174.900 0.001 0.000 1.346 403 G CA 0.559 45.665 45.100 0.009 0.000 0.887 403 G HN 2.803 nan 8.290 nan 0.000 0.569 404 T N -3.359 111.194 114.554 -0.002 0.000 2.848 404 T HA 0.646 5.000 4.350 0.007 0.000 0.285 404 T C -0.196 174.500 174.700 -0.008 0.000 0.995 404 T CA 0.130 62.225 62.100 -0.008 0.000 0.970 404 T CB 1.812 70.674 68.868 -0.010 0.000 0.976 404 T HN 2.078 nan 8.240 nan 0.000 0.441 405 V N 3.642 123.549 119.914 -0.012 0.000 2.498 405 V HA 0.604 4.728 4.120 0.007 0.000 0.279 405 V C -0.540 175.547 176.094 -0.012 0.000 1.048 405 V CA -0.207 62.086 62.300 -0.012 0.000 0.967 405 V CB 0.551 32.365 31.823 -0.016 0.000 0.988 405 V HN 0.995 nan 8.190 nan 0.000 0.473 406 K N 4.131 124.523 120.400 -0.012 0.000 2.328 406 K HA 0.528 4.852 4.320 0.007 0.000 0.246 406 K C -0.513 176.079 176.600 -0.013 0.000 0.955 406 K CA -0.679 55.601 56.287 -0.011 0.000 0.817 406 K CB 2.056 34.550 32.500 -0.009 0.000 1.208 406 K HN 0.584 nan 8.250 nan 0.000 0.432 407 S N 0.690 116.383 115.700 -0.012 0.000 2.488 407 S HA 0.292 4.766 4.470 0.007 0.000 0.278 407 S C 1.076 175.669 174.600 -0.011 0.000 1.259 407 S CA 0.721 58.913 58.200 -0.013 0.000 1.061 407 S CB 0.523 63.717 63.200 -0.010 0.000 0.910 407 S HN 0.958 nan 8.310 nan 0.000 0.491 408 G N 2.576 111.368 108.800 -0.012 0.000 2.234 408 G HA2 -0.261 3.703 3.960 0.007 0.000 0.235 408 G HA3 -0.261 3.703 3.960 0.007 0.000 0.235 408 G C 0.141 175.034 174.900 -0.012 0.000 0.997 408 G CA 0.110 45.204 45.100 -0.010 0.000 0.623 408 G HN 0.700 nan 8.290 nan 0.000 0.514 409 Q N 1.431 121.223 119.800 -0.013 0.000 2.286 409 Q HA 0.292 4.636 4.340 0.007 0.000 0.290 409 Q C -0.020 175.968 176.000 -0.021 0.000 1.049 409 Q CA 0.328 56.122 55.803 -0.015 0.000 0.923 409 Q CB 0.221 28.951 28.738 -0.014 0.000 1.183 409 Q HN 0.442 nan 8.270 nan 0.000 0.383 410 K N 3.259 123.645 120.400 -0.023 0.000 2.276 410 K HA 0.317 4.641 4.320 0.007 0.000 0.285 410 K C -0.943 175.634 176.600 -0.039 0.000 1.062 410 K CA -0.408 55.859 56.287 -0.034 0.000 0.918 410 K CB 1.218 33.698 32.500 -0.033 0.000 1.055 410 K HN 0.367 nan 8.250 nan 0.000 0.477 411 V N 3.051 122.935 119.914 -0.051 0.000 2.864 411 V HA 0.373 4.497 4.120 0.007 0.000 0.314 411 V C -0.131 175.915 176.094 -0.080 0.000 1.073 411 V CA -1.228 61.039 62.300 -0.054 0.000 0.956 411 V CB 1.980 33.778 31.823 -0.041 0.000 1.023 411 V HN 0.697 nan 8.190 nan 0.000 0.435 412 R N 2.634 123.081 120.500 -0.088 0.000 2.308 412 R HA 0.452 4.797 4.340 0.007 0.000 0.325 412 R C -0.575 175.627 176.300 -0.162 0.000 1.161 412 R CA -0.158 55.861 56.100 -0.135 0.000 1.022 412 R CB 0.138 30.347 30.300 -0.151 0.000 1.091 412 R HN 0.570 nan 8.270 nan 0.000 0.497 413 I N 3.972 124.468 120.570 -0.123 0.000 2.471 413 I HA -0.077 4.097 4.170 0.007 0.000 0.294 413 I C 0.369 176.418 176.117 -0.113 0.000 1.123 413 I CA 0.554 61.816 61.300 -0.063 0.000 1.336 413 I CB 0.102 38.120 38.000 0.031 0.000 1.430 413 I HN 0.384 nan 8.210 nan 0.000 0.533 414 Q N 5.386 125.049 119.800 -0.229 0.000 2.390 414 Q HA 0.367 4.711 4.340 0.007 0.000 0.249 414 Q C 0.611 176.564 176.000 -0.079 0.000 0.996 414 Q CA -0.465 55.099 55.803 -0.398 0.000 0.899 414 Q CB 1.736 30.070 28.738 -0.673 0.000 1.216 414 Q HN 0.781 nan 8.270 nan 0.000 0.465 415 G N 2.833 111.670 108.800 0.060 0.000 2.553 415 G HA2 0.135 4.100 3.960 0.007 0.000 0.278 415 G HA3 0.135 4.100 3.960 0.007 0.000 0.278 415 G C -1.780 173.206 174.900 0.143 0.000 1.349 415 G CA -1.028 44.153 45.100 0.134 0.000 1.037 415 G HN 0.350 nan 8.290 nan 0.000 0.508 416 P HA -0.110 nan 4.420 nan 0.000 0.213 416 P C 1.590 178.969 177.300 0.130 0.000 1.170 416 P CA 0.999 64.175 63.100 0.126 0.000 0.898 416 P CB 0.142 31.918 31.700 0.126 0.000 0.787 417 N N -1.829 116.949 118.700 0.129 0.000 2.573 417 N HA -0.105 4.639 4.740 0.007 0.000 0.187 417 N C 0.357 175.922 175.510 0.092 0.000 1.107 417 N CA 0.200 53.310 53.050 0.099 0.000 0.918 417 N CB -0.660 37.880 38.487 0.088 0.000 0.966 417 N HN 0.228 nan 8.380 nan 0.000 0.448 418 Y N 0.995 121.301 120.300 0.009 0.000 2.610 418 Y HA 0.094 4.648 4.550 0.007 0.000 0.332 418 Y C -0.141 175.748 175.900 -0.019 0.000 1.201 418 Y CA 0.224 58.312 58.100 -0.019 0.000 1.465 418 Y CB 0.538 38.983 38.460 -0.025 0.000 1.283 418 Y HN -0.303 nan 8.280 nan 0.000 0.563 419 V N 8.628 128.045 119.914 -0.828 0.000 2.733 419 V HA 0.197 4.322 4.120 0.007 0.000 0.306 419 V C -1.866 173.703 176.094 -0.876 0.000 1.084 419 V CA -1.571 60.368 62.300 -0.602 0.000 0.905 419 V CB 1.943 33.602 31.823 -0.275 0.000 1.010 419 V HN 0.648 nan 8.190 nan 0.000 0.424 420 P HA -0.181 nan 4.420 nan 0.000 0.218 420 P C 1.448 178.570 177.300 -0.297 0.000 1.150 420 P CA 1.927 64.781 63.100 -0.410 0.000 0.841 420 P CB 0.279 31.728 31.700 -0.420 0.000 0.784 421 G N -0.544 108.101 108.800 -0.258 0.000 2.616 421 G HA2 -0.129 3.835 3.960 0.007 0.000 0.215 421 G HA3 -0.129 3.835 3.960 0.007 0.000 0.215 421 G C 0.608 175.404 174.900 -0.175 0.000 1.284 421 G CA 0.610 45.610 45.100 -0.167 0.000 0.823 421 G HN 0.194 nan 8.290 nan 0.000 0.569 422 K N -0.154 120.129 120.400 -0.195 0.000 2.156 422 K HA 0.328 4.652 4.320 0.007 0.000 0.242 422 K C 0.810 177.297 176.600 -0.189 0.000 1.033 422 K CA 0.232 56.424 56.287 -0.159 0.000 0.878 422 K CB 0.460 32.882 32.500 -0.130 0.000 1.057 422 K HN 0.090 nan 8.250 nan 0.000 0.505 423 K N 1.119 121.454 120.400 -0.109 0.000 2.576 423 K HA 0.118 4.442 4.320 0.007 0.000 0.209 423 K C -0.865 175.699 176.600 -0.061 0.000 1.049 423 K CA -0.095 56.156 56.287 -0.059 0.000 1.140 423 K CB 0.458 32.931 32.500 -0.045 0.000 0.871 423 K HN 0.510 nan 8.250 nan 0.000 0.479 424 D N 1.808 122.162 120.400 -0.077 0.000 2.350 424 D HA -0.027 4.617 4.640 0.007 0.000 0.249 424 D C 0.413 176.713 176.300 0.000 0.000 1.119 424 D CA 0.526 54.495 54.000 -0.052 0.000 0.886 424 D CB 0.845 41.623 40.800 -0.036 0.000 1.195 424 D HN 0.127 nan 8.370 nan 0.000 0.437 425 D N 0.636 120.987 120.400 -0.081 0.000 2.800 425 D HA -0.206 4.438 4.640 0.007 0.000 0.232 425 D C -1.014 175.175 176.300 -0.184 0.000 1.137 425 D CA 0.350 54.310 54.000 -0.066 0.000 0.718 425 D CB -0.847 40.028 40.800 0.126 0.000 1.084 425 D HN 0.222 nan 8.370 nan 0.000 0.432 426 L N 0.406 121.347 121.223 -0.469 0.000 2.341 426 L HA 0.682 5.027 4.340 0.007 0.000 0.278 426 L C -1.240 175.135 176.870 -0.826 0.000 1.005 426 L CA -0.576 54.006 54.840 -0.430 0.000 0.818 426 L CB 1.311 43.337 42.059 -0.055 0.000 1.259 426 L HN -0.056 nan 8.230 nan 0.000 0.418 427 F N 6.020 125.880 119.950 -0.150 0.000 2.716 427 F HA 0.444 4.975 4.527 0.007 0.000 0.354 427 F C -0.070 175.540 175.800 -0.316 0.000 1.168 427 F CA -0.530 57.317 58.000 -0.254 0.000 1.045 427 F CB 1.013 39.784 39.000 -0.383 0.000 1.311 427 F HN 0.235 nan 8.300 nan 0.000 0.477 428 I N 5.038 125.539 120.570 -0.114 0.000 2.278 428 I HA 0.143 4.317 4.170 0.007 0.000 0.300 428 I C 0.078 176.103 176.117 -0.154 0.000 1.174 428 I CA -0.038 61.188 61.300 -0.122 0.000 1.347 428 I CB -0.397 37.552 38.000 -0.084 0.000 1.473 428 I HN 0.384 nan 8.210 nan 0.000 0.595 429 K N 3.806 124.071 120.400 -0.225 0.000 2.316 429 K HA 0.839 5.163 4.320 0.007 0.000 0.234 429 K C -0.484 176.046 176.600 -0.116 0.000 1.054 429 K CA -0.893 55.258 56.287 -0.227 0.000 0.879 429 K CB 1.806 34.011 32.500 -0.491 0.000 1.252 429 K HN 0.358 nan 8.250 nan 0.000 0.471 430 A N 0.973 123.757 122.820 -0.060 0.000 2.337 430 A HA 0.556 4.880 4.320 0.007 0.000 0.329 430 A C -0.350 177.230 177.584 -0.005 0.000 1.146 430 A CA -0.720 51.301 52.037 -0.027 0.000 0.800 430 A CB 0.358 19.349 19.000 -0.014 0.000 1.220 430 A HN 0.487 nan 8.150 nan 0.000 0.472 431 I N 2.943 123.506 120.570 -0.012 0.000 2.406 431 I HA 0.019 4.193 4.170 0.007 0.000 0.293 431 I C 1.582 177.689 176.117 -0.016 0.000 1.101 431 I CA 0.570 61.863 61.300 -0.011 0.000 1.334 431 I CB 0.040 38.027 38.000 -0.020 0.000 1.421 431 I HN 1.068 nan 8.210 nan 0.000 0.513 432 Q N 6.970 126.760 119.800 -0.016 0.000 2.014 432 Q HA -0.097 4.247 4.340 0.007 0.000 0.207 432 Q C 0.099 176.078 176.000 -0.036 0.000 0.993 432 Q CA 1.729 57.519 55.803 -0.023 0.000 0.850 432 Q CB 0.457 29.178 28.738 -0.029 0.000 0.916 432 Q HN 0.599 nan 8.270 nan 0.000 0.417 433 R N -0.537 119.924 120.500 -0.065 0.000 2.566 433 R HA 0.441 4.786 4.340 0.007 0.000 0.271 433 R C -1.885 174.369 176.300 -0.076 0.000 1.071 433 R CA -0.485 55.579 56.100 -0.060 0.000 0.915 433 R CB 2.470 32.737 30.300 -0.056 0.000 1.228 433 R HN 0.119 nan 8.270 nan 0.000 0.449 434 V N 4.323 124.212 119.914 -0.041 0.000 2.427 434 V HA 0.730 4.855 4.120 0.007 0.000 0.286 434 V C -0.546 175.546 176.094 -0.004 0.000 1.034 434 V CA -0.303 61.979 62.300 -0.030 0.000 0.893 434 V CB 1.566 33.378 31.823 -0.019 0.000 0.982 434 V HN 0.581 nan 8.190 nan 0.000 0.452 435 V N 4.880 124.804 119.914 0.017 0.000 3.007 435 V HA 0.637 4.761 4.120 0.007 0.000 0.311 435 V C -0.656 175.492 176.094 0.090 0.000 1.120 435 V CA -1.078 61.260 62.300 0.063 0.000 0.980 435 V CB 1.927 33.812 31.823 0.104 0.000 1.033 435 V HN 0.817 nan 8.190 nan 0.000 0.429 436 L N 3.836 125.116 121.223 0.096 0.000 2.349 436 L HA 0.444 4.788 4.340 0.007 0.000 0.275 436 L C 0.253 177.209 176.870 0.142 0.000 1.115 436 L CA -0.437 54.466 54.840 0.105 0.000 0.820 436 L CB 1.290 43.400 42.059 0.085 0.000 1.135 436 L HN 0.585 nan 8.230 nan 0.000 0.445 437 M N 4.889 124.588 119.600 0.165 0.000 3.176 437 M HA 0.196 4.681 4.480 0.007 0.000 0.284 437 M C -0.130 176.246 176.300 0.127 0.000 1.392 437 M CA 0.056 55.458 55.300 0.171 0.000 1.520 437 M CB 0.267 33.017 32.600 0.250 0.000 1.100 437 M HN 0.530 nan 8.290 nan 0.000 0.555 438 M N 1.535 121.213 119.600 0.129 0.000 3.700 438 M HA 0.183 4.668 4.480 0.007 0.000 0.190 438 M C 1.319 177.694 176.300 0.125 0.000 1.422 438 M CA 0.278 55.655 55.300 0.130 0.000 1.646 438 M CB -1.694 31.003 32.600 0.161 0.000 1.154 438 M HN 0.889 nan 8.290 nan 0.000 0.506 439 G N 2.071 110.906 108.800 0.057 0.000 4.766 439 G HA2 -0.363 3.601 3.960 0.007 0.000 0.314 439 G HA3 -0.363 3.601 3.960 0.007 0.000 0.314 439 G C 1.194 176.040 174.900 -0.089 0.000 1.427 439 G CA 0.380 45.477 45.100 -0.004 0.000 1.024 439 G HN 0.519 nan 8.290 nan 0.000 0.754 440 R N -0.162 120.230 120.500 -0.180 0.000 2.365 440 R HA 0.460 4.804 4.340 0.007 0.000 0.223 440 R C 0.012 175.900 176.300 -0.686 0.000 0.899 440 R CA -0.021 55.784 56.100 -0.492 0.000 1.059 440 R CB 0.274 30.138 30.300 -0.726 0.000 1.086 440 R HN 0.304 nan 8.270 nan 0.000 0.522 441 F N -1.042 118.903 119.950 -0.008 0.000 2.618 441 F HA 0.492 5.023 4.527 0.007 0.000 0.332 441 F C -0.010 175.807 175.800 0.029 0.000 1.061 441 F CA -1.270 56.731 58.000 0.002 0.000 0.974 441 F CB 1.225 40.229 39.000 0.007 0.000 1.310 441 F HN -0.449 nan 8.300 nan 0.000 0.491 442 V N 0.926 120.993 119.914 0.256 0.000 2.604 442 V HA 0.471 4.595 4.120 0.007 0.000 0.305 442 V C -0.947 175.244 176.094 0.161 0.000 1.043 442 V CA -0.654 61.763 62.300 0.195 0.000 0.888 442 V CB 1.887 33.838 31.823 0.212 0.000 0.995 442 V HN 0.590 nan 8.190 nan 0.000 0.429 443 E N 4.687 124.966 120.200 0.132 0.000 2.279 443 E HA 0.384 4.738 4.350 0.007 0.000 0.252 443 E C -2.796 173.850 176.600 0.077 0.000 0.894 443 E CA -1.926 54.530 56.400 0.093 0.000 0.785 443 E CB 2.427 32.174 29.700 0.078 0.000 1.237 443 E HN 0.374 nan 8.360 nan 0.000 0.418 444 P HA 0.166 nan 4.420 nan 0.000 0.268 444 P C -0.144 177.175 177.300 0.032 0.000 1.205 444 P CA 0.189 63.316 63.100 0.044 0.000 0.771 444 P CB 0.443 32.165 31.700 0.037 0.000 0.858 445 I N -1.742 118.841 120.570 0.022 0.000 2.994 445 I HA 0.459 4.633 4.170 0.007 0.000 0.306 445 I C 0.109 176.230 176.117 0.007 0.000 1.195 445 I CA -0.960 60.350 61.300 0.016 0.000 1.001 445 I CB 2.200 40.211 38.000 0.019 0.000 1.244 445 I HN 0.008 nan 8.210 nan 0.000 0.437 446 D N 1.870 122.272 120.400 0.004 0.000 2.084 446 D HA -0.071 4.573 4.640 0.007 0.000 0.194 446 D C 0.083 176.381 176.300 -0.003 0.000 0.990 446 D CA 2.239 56.238 54.000 -0.000 0.000 0.826 446 D CB 0.032 40.831 40.800 -0.001 0.000 0.971 446 D HN 0.864 nan 8.370 nan 0.000 0.453 447 D N -2.328 118.070 120.400 -0.003 0.000 2.895 447 D HA 0.362 5.006 4.640 0.007 0.000 0.320 447 D C -1.235 175.061 176.300 -0.007 0.000 1.249 447 D CA -0.842 53.154 54.000 -0.006 0.000 0.997 447 D CB 1.555 42.350 40.800 -0.007 0.000 1.430 447 D HN 0.064 nan 8.370 nan 0.000 0.558 448 C N 0.565 119.858 119.300 -0.012 0.000 2.968 448 C HA 0.525 4.989 4.460 0.007 0.000 0.389 448 C C -2.884 172.092 174.990 -0.023 0.000 1.068 448 C CA -0.765 58.243 59.018 -0.017 0.000 1.272 448 C CB 0.271 27.999 27.740 -0.021 0.000 1.711 448 C HN 0.486 nan 8.230 nan 0.000 0.501 449 P HA 0.287 nan 4.420 nan 0.000 0.270 449 P C -0.332 176.945 177.300 -0.040 0.000 1.223 449 P CA 0.232 63.317 63.100 -0.025 0.000 0.785 449 P CB 0.573 32.260 31.700 -0.022 0.000 0.923 450 A N 1.514 124.312 122.820 -0.037 0.000 2.498 450 A HA 0.452 4.776 4.320 0.007 0.000 0.239 450 A C 1.400 178.936 177.584 -0.079 0.000 1.068 450 A CA 0.863 52.868 52.037 -0.054 0.000 0.766 450 A CB -1.271 17.716 19.000 -0.021 0.000 1.003 450 A HN 0.839 nan 8.150 nan 0.000 0.497 451 G N 1.527 110.241 108.800 -0.144 0.000 2.231 451 G HA2 -0.175 3.789 3.960 0.007 0.000 0.206 451 G HA3 -0.175 3.789 3.960 0.007 0.000 0.206 451 G C 0.024 174.825 174.900 -0.166 0.000 0.996 451 G CA 0.071 45.078 45.100 -0.155 0.000 0.645 451 G HN 0.818 nan 8.290 nan 0.000 0.498 452 N N 0.079 118.689 118.700 -0.151 0.000 2.430 452 N HA 0.619 5.364 4.740 0.007 0.000 0.298 452 N C -0.841 174.572 175.510 -0.162 0.000 1.130 452 N CA -0.638 52.340 53.050 -0.121 0.000 0.894 452 N CB 1.746 40.192 38.487 -0.068 0.000 1.209 452 N HN 0.031 nan 8.380 nan 0.000 0.503 453 I N 1.736 122.227 120.570 -0.132 0.000 2.519 453 I HA 0.281 4.455 4.170 0.007 0.000 0.287 453 I C 0.090 176.135 176.117 -0.119 0.000 1.047 453 I CA 0.087 61.282 61.300 -0.174 0.000 1.381 453 I CB 0.557 38.493 38.000 -0.106 0.000 1.417 453 I HN 0.440 nan 8.210 nan 0.000 0.540 454 I N 3.588 124.046 120.570 -0.186 0.000 3.181 454 I HA 0.758 4.932 4.170 0.007 0.000 0.311 454 I C -0.453 175.634 176.117 -0.051 0.000 1.287 454 I CA -0.293 60.965 61.300 -0.070 0.000 0.958 454 I CB 2.244 40.211 38.000 -0.055 0.000 1.294 454 I HN 0.515 nan 8.210 nan 0.000 0.467 455 G N 3.766 112.606 108.800 0.066 0.000 2.481 455 G HA2 0.738 4.702 3.960 0.007 0.000 0.315 455 G HA3 0.738 4.702 3.960 0.007 0.000 0.315 455 G C -1.787 173.140 174.900 0.045 0.000 1.231 455 G CA -0.598 44.579 45.100 0.129 0.000 0.968 455 G HN 0.578 nan 8.290 nan 0.000 0.482 456 L N 0.341 121.574 121.223 0.017 0.000 2.354 456 L HA 0.668 5.012 4.340 0.007 0.000 0.264 456 L C -0.611 176.124 176.870 -0.225 0.000 1.008 456 L CA -1.260 53.537 54.840 -0.072 0.000 0.819 456 L CB 2.440 44.479 42.059 -0.032 0.000 1.339 456 L HN 0.199 nan 8.230 nan 0.000 0.420 457 V N 0.455 120.189 119.914 -0.300 0.000 2.495 457 V HA 0.691 4.815 4.120 0.007 0.000 0.298 457 V C 0.495 176.469 176.094 -0.199 0.000 1.031 457 V CA -0.191 61.817 62.300 -0.487 0.000 0.871 457 V CB 1.300 32.781 31.823 -0.570 0.000 0.988 457 V HN 1.000 nan 8.190 nan 0.000 0.432 458 G N 4.280 113.001 108.800 -0.132 0.000 2.452 458 G HA2 -0.160 3.804 3.960 0.007 0.000 0.275 458 G HA3 -0.160 3.804 3.960 0.007 0.000 0.275 458 G C -0.069 174.874 174.900 0.072 0.000 1.131 458 G CA 0.291 45.379 45.100 -0.020 0.000 1.031 458 G HN 0.728 nan 8.290 nan 0.000 0.511 459 I N -0.591 120.005 120.570 0.044 0.000 4.887 459 I HA 0.050 4.224 4.170 0.007 0.000 0.349 459 I C 1.886 177.992 176.117 -0.018 0.000 1.266 459 I CA 0.420 61.802 61.300 0.137 0.000 1.376 459 I CB 0.118 38.190 38.000 0.120 0.000 1.556 459 I HN 0.308 nan 8.210 nan 0.000 0.530 460 D N 2.076 122.454 120.400 -0.038 0.000 2.311 460 D HA -0.251 4.393 4.640 0.007 0.000 0.212 460 D C 1.567 177.756 176.300 -0.184 0.000 0.972 460 D CA 1.072 55.057 54.000 -0.024 0.000 0.887 460 D CB -0.190 40.719 40.800 0.181 0.000 0.915 460 D HN 0.491 nan 8.370 nan 0.000 0.497 461 Q N -0.531 118.994 119.800 -0.457 0.000 2.360 461 Q HA 0.029 4.373 4.340 0.007 0.000 0.202 461 Q C 0.742 176.212 176.000 -0.884 0.000 0.915 461 Q CA 0.220 55.621 55.803 -0.669 0.000 0.943 461 Q CB -0.301 27.949 28.738 -0.813 0.000 1.064 461 Q HN 0.323 nan 8.270 nan 0.000 0.511 462 F N 0.130 119.890 119.950 -0.316 0.000 2.667 462 F HA 0.374 4.905 4.527 0.007 0.000 0.288 462 F C 0.727 176.339 175.800 -0.314 0.000 1.086 462 F CA -0.329 57.319 58.000 -0.587 0.000 1.297 462 F CB 0.687 39.361 39.000 -0.543 0.000 1.059 462 F HN -0.154 nan 8.300 nan 0.000 0.624 463 L N 1.261 122.472 121.223 -0.020 0.000 2.305 463 L HA 0.282 4.626 4.340 0.007 0.000 0.284 463 L C 0.853 177.680 176.870 -0.071 0.000 1.013 463 L CA -0.583 54.252 54.840 -0.008 0.000 0.819 463 L CB 2.146 44.210 42.059 0.009 0.000 1.227 463 L HN 0.039 nan 8.230 nan 0.000 0.417 464 L N 3.831 125.015 121.223 -0.066 0.000 2.005 464 L HA -0.117 4.227 4.340 0.007 0.000 0.207 464 L C 1.839 178.595 176.870 -0.190 0.000 1.072 464 L CA 2.180 56.950 54.840 -0.116 0.000 0.744 464 L CB -0.292 41.727 42.059 -0.067 0.000 0.895 464 L HN 0.787 nan 8.230 nan 0.000 0.433 465 K N -2.983 117.314 120.400 -0.172 0.000 3.019 465 K HA 0.112 4.436 4.320 0.007 0.000 0.192 465 K C -0.015 176.478 176.600 -0.178 0.000 1.680 465 K CA 0.673 56.806 56.287 -0.255 0.000 1.375 465 K CB 0.421 32.645 32.500 -0.459 0.000 1.968 465 K HN 0.370 nan 8.250 nan 0.000 0.624 466 T N -1.456 113.031 114.554 -0.111 0.000 2.930 466 T HA 0.848 5.203 4.350 0.007 0.000 0.290 466 T C 0.103 174.760 174.700 -0.072 0.000 1.052 466 T CA -0.298 61.756 62.100 -0.077 0.000 1.017 466 T CB 2.192 71.088 68.868 0.047 0.000 1.137 466 T HN 0.326 nan 8.240 nan 0.000 0.511 467 G N -0.046 108.650 108.800 -0.174 0.000 2.313 467 G HA2 0.498 4.462 3.960 0.007 0.000 0.296 467 G HA3 0.498 4.462 3.960 0.007 0.000 0.296 467 G C -1.433 173.342 174.900 -0.208 0.000 1.356 467 G CA -0.741 44.285 45.100 -0.123 0.000 0.833 467 G HN 0.864 nan 8.290 nan 0.000 0.552 468 T N 0.738 115.231 114.554 -0.103 0.000 2.840 468 T HA 0.573 4.927 4.350 0.007 0.000 0.287 468 T C -0.641 174.028 174.700 -0.052 0.000 0.991 468 T CA -0.358 61.705 62.100 -0.061 0.000 0.964 468 T CB 1.436 70.312 68.868 0.012 0.000 0.954 468 T HN 0.392 nan 8.240 nan 0.000 0.438 469 L N 3.268 124.479 121.223 -0.019 0.000 2.312 469 L HA 0.683 5.027 4.340 0.007 0.000 0.281 469 L C 0.560 177.428 176.870 -0.003 0.000 1.070 469 L CA 0.292 55.117 54.840 -0.025 0.000 0.805 469 L CB 1.317 43.370 42.059 -0.010 0.000 1.174 469 L HN 0.712 nan 8.230 nan 0.000 0.434 470 T N -0.286 114.247 114.554 -0.033 0.000 2.894 470 T HA 0.421 4.776 4.350 0.007 0.000 0.309 470 T C 0.339 175.026 174.700 -0.022 0.000 1.208 470 T CA -0.328 61.766 62.100 -0.009 0.000 1.016 470 T CB 1.798 70.660 68.868 -0.009 0.000 1.192 470 T HN 0.631 nan 8.240 nan 0.000 0.491 471 T N -2.282 112.271 114.554 -0.001 0.000 3.132 471 T HA 0.377 4.731 4.350 0.007 0.000 0.274 471 T C 0.490 175.191 174.700 0.003 0.000 1.011 471 T CA -0.356 61.740 62.100 -0.007 0.000 0.899 471 T CB 0.294 69.160 68.868 -0.003 0.000 1.089 471 T HN 0.418 nan 8.240 nan 0.000 0.543 472 S N 0.923 116.632 115.700 0.015 0.000 2.449 472 S HA 0.344 4.818 4.470 0.007 0.000 0.310 472 S C 0.473 175.092 174.600 0.031 0.000 1.096 472 S CA -0.604 57.611 58.200 0.026 0.000 1.095 472 S CB 1.703 64.928 63.200 0.043 0.000 1.007 472 S HN 0.439 nan 8.310 nan 0.000 0.474 473 E N 2.626 122.841 120.200 0.026 0.000 2.512 473 E HA -0.009 4.346 4.350 0.007 0.000 0.195 473 E C 0.616 177.236 176.600 0.033 0.000 1.083 473 E CA 0.811 57.231 56.400 0.033 0.000 0.873 473 E CB 0.031 29.742 29.700 0.019 0.000 0.897 473 E HN 0.749 nan 8.360 nan 0.000 0.514 474 T N -3.077 111.497 114.554 0.033 0.000 3.275 474 T HA 0.494 4.848 4.350 0.007 0.000 0.298 474 T C -0.017 174.700 174.700 0.028 0.000 0.988 474 T CA -0.271 61.835 62.100 0.009 0.000 0.936 474 T CB 0.919 69.804 68.868 0.029 0.000 1.159 474 T HN 0.112 nan 8.240 nan 0.000 0.519 475 A N 1.363 124.229 122.820 0.076 0.000 2.292 475 A HA 0.716 5.040 4.320 0.007 0.000 0.319 475 A C -0.437 177.232 177.584 0.141 0.000 1.206 475 A CA -0.597 51.561 52.037 0.202 0.000 0.835 475 A CB 0.238 19.368 19.000 0.218 0.000 1.164 475 A HN 0.613 nan 8.150 nan 0.000 0.505 476 H N 1.264 120.429 119.070 0.158 0.000 2.597 476 H HA 0.222 4.782 4.556 0.007 0.000 0.370 476 H C 0.445 175.743 175.328 -0.051 0.000 1.281 476 H CA -0.001 56.034 56.048 -0.023 0.000 1.422 476 H CB 0.437 30.038 29.762 -0.268 0.000 1.524 476 H HN 0.654 nan 8.280 nan 0.000 0.607 477 N N 0.717 119.486 118.700 0.114 0.000 2.453 477 N HA 0.024 4.768 4.740 0.007 0.000 0.253 477 N C -0.016 175.484 175.510 -0.017 0.000 1.252 477 N CA 0.168 53.264 53.050 0.076 0.000 0.917 477 N CB 0.487 39.038 38.487 0.107 0.000 1.117 477 N HN 0.439 nan 8.380 nan 0.000 0.442 478 M N 0.591 120.245 119.600 0.090 0.000 2.227 478 M HA 0.094 4.578 4.480 0.007 0.000 0.316 478 M C 0.646 177.035 176.300 0.148 0.000 1.144 478 M CA -0.663 54.712 55.300 0.126 0.000 1.121 478 M CB 0.475 33.243 32.600 0.281 0.000 1.440 478 M HN 0.251 nan 8.290 nan 0.000 0.473 479 K N 2.296 122.751 120.400 0.092 0.000 2.323 479 K HA -0.004 4.321 4.320 0.007 0.000 0.262 479 K C -0.943 175.773 176.600 0.192 0.000 1.238 479 K CA 0.070 56.409 56.287 0.086 0.000 1.249 479 K CB -1.035 31.480 32.500 0.024 0.000 0.805 479 K HN 0.456 nan 8.250 nan 0.000 0.489 480 V N 2.825 122.822 119.914 0.137 0.000 2.715 480 V HA 0.292 4.416 4.120 0.007 0.000 0.299 480 V C 0.375 176.554 176.094 0.142 0.000 1.054 480 V CA -0.355 62.035 62.300 0.151 0.000 1.077 480 V CB 0.793 32.678 31.823 0.103 0.000 0.972 480 V HN 0.614 nan 8.190 nan 0.000 0.484 481 M N 4.354 124.069 119.600 0.191 0.000 2.061 481 M HA 0.421 4.905 4.480 0.007 0.000 0.346 481 M C -0.028 176.272 176.300 0.001 0.000 1.112 481 M CA -0.310 55.060 55.300 0.117 0.000 1.021 481 M CB 1.164 33.940 32.600 0.292 0.000 1.530 481 M HN 0.649 nan 8.290 nan 0.000 0.437 482 K N 3.282 123.586 120.400 -0.160 0.000 2.436 482 K HA 0.324 4.648 4.320 0.007 0.000 0.282 482 K C -1.173 175.175 176.600 -0.420 0.000 1.044 482 K CA 0.630 56.823 56.287 -0.156 0.000 1.028 482 K CB 0.388 32.822 32.500 -0.110 0.000 0.919 482 K HN 0.364 nan 8.250 nan 0.000 0.474 483 F N -0.219 119.757 119.950 0.043 0.000 2.675 483 F HA 0.452 4.983 4.527 0.007 0.000 0.324 483 F C 0.118 175.941 175.800 0.039 0.000 1.106 483 F CA -0.816 57.200 58.000 0.026 0.000 0.970 483 F CB 2.281 41.284 39.000 0.005 0.000 1.385 483 F HN 0.338 nan 8.300 nan 0.000 0.489 484 S N -0.303 115.547 115.700 0.249 0.000 2.548 484 S HA 0.339 4.813 4.470 0.007 0.000 0.278 484 S C -0.520 174.115 174.600 0.058 0.000 1.150 484 S CA -0.429 57.856 58.200 0.143 0.000 0.907 484 S CB 1.669 64.971 63.200 0.169 0.000 1.108 484 S HN 0.610 nan 8.310 nan 0.000 0.459 485 V N 4.146 124.068 119.914 0.012 0.000 3.541 485 V HA 0.199 4.323 4.120 0.007 0.000 0.267 485 V C 0.823 176.880 176.094 -0.061 0.000 1.213 485 V CA 1.254 63.537 62.300 -0.030 0.000 1.149 485 V CB -0.269 31.537 31.823 -0.028 0.000 0.822 485 V HN 0.968 nan 8.190 nan 0.000 0.462 486 S N 2.776 118.403 115.700 -0.122 0.000 2.571 486 S HA 0.174 4.648 4.470 0.007 0.000 0.297 486 S C -2.445 172.030 174.600 -0.209 0.000 1.234 486 S CA -0.861 57.187 58.200 -0.254 0.000 1.120 486 S CB 0.272 63.078 63.200 -0.655 0.000 0.923 486 S HN 0.404 nan 8.310 nan 0.000 0.504 487 P HA 0.160 nan 4.420 nan 0.000 0.271 487 P C 0.865 178.142 177.300 -0.038 0.000 1.380 487 P CA -0.515 62.578 63.100 -0.012 0.000 0.992 487 P CB 0.555 32.292 31.700 0.061 0.000 1.230 488 V N 2.286 122.151 119.914 -0.081 0.000 3.590 488 V HA 0.120 4.244 4.120 0.007 0.000 0.265 488 V C 0.583 176.660 176.094 -0.027 0.000 1.239 488 V CA 0.260 62.478 62.300 -0.137 0.000 1.117 488 V CB -0.309 31.334 31.823 -0.299 0.000 0.818 488 V HN 0.214 nan 8.190 nan 0.000 0.451 489 V N 0.181 120.132 119.914 0.061 0.000 2.841 489 V HA 0.845 4.969 4.120 0.007 0.000 0.310 489 V C -0.985 175.202 176.094 0.155 0.000 1.090 489 V CA -0.544 61.837 62.300 0.135 0.000 0.930 489 V CB 1.487 33.404 31.823 0.156 0.000 1.014 489 V HN 0.714 nan 8.190 nan 0.000 0.425 490 Q N 2.623 122.524 119.800 0.168 0.000 2.482 490 Q HA 0.883 5.227 4.340 0.007 0.000 0.286 490 Q C -1.431 174.635 176.000 0.110 0.000 1.007 490 Q CA -0.926 54.958 55.803 0.134 0.000 0.801 490 Q CB 2.744 31.571 28.738 0.148 0.000 1.455 490 Q HN 1.555 nan 8.270 nan 0.000 0.398 491 V N -3.185 116.767 119.914 0.063 0.000 3.160 491 V HA 0.988 5.113 4.120 0.007 0.000 0.310 491 V C -1.045 175.054 176.094 0.008 0.000 1.181 491 V CA -0.666 61.659 62.300 0.041 0.000 1.047 491 V CB 1.586 33.431 31.823 0.037 0.000 1.068 491 V HN 1.057 nan 8.190 nan 0.000 0.441 492 A N 1.387 124.212 122.820 0.008 0.000 2.271 492 A HA 0.815 5.139 4.320 0.007 0.000 0.317 492 A C -0.448 177.140 177.584 0.007 0.000 1.245 492 A CA -0.595 51.444 52.037 0.004 0.000 0.857 492 A CB 0.885 19.892 19.000 0.013 0.000 1.175 492 A HN 1.227 nan 8.150 nan 0.000 0.512 493 V N 2.219 122.141 119.914 0.014 0.000 2.539 493 V HA 0.605 4.729 4.120 0.007 0.000 0.292 493 V C 0.196 176.305 176.094 0.024 0.000 1.045 493 V CA -0.292 62.010 62.300 0.004 0.000 0.945 493 V CB 1.394 33.204 31.823 -0.023 0.000 0.993 493 V HN 0.984 nan 8.190 nan 0.000 0.464 494 E N 2.397 122.597 120.200 0.000 0.000 2.397 494 E HA 0.409 4.763 4.350 0.007 0.000 0.293 494 E C -1.130 175.462 176.600 -0.012 0.000 0.930 494 E CA -0.700 55.707 56.400 0.011 0.000 0.793 494 E CB 2.205 31.919 29.700 0.023 0.000 1.259 494 E HN 0.627 nan 8.360 nan 0.000 0.406 495 V N 2.334 122.237 119.914 -0.018 0.000 2.655 495 V HA 0.201 4.325 4.120 0.007 0.000 0.300 495 V C 1.002 177.088 176.094 -0.015 0.000 1.044 495 V CA -0.041 62.244 62.300 -0.026 0.000 1.095 495 V CB 1.213 33.018 31.823 -0.030 0.000 0.952 495 V HN 0.787 nan 8.190 nan 0.000 0.485 496 K N 2.498 122.887 120.400 -0.018 0.000 2.217 496 K HA 0.051 4.375 4.320 0.007 0.000 0.202 496 K C 0.309 176.903 176.600 -0.010 0.000 1.051 496 K CA 1.197 57.476 56.287 -0.013 0.000 0.952 496 K CB -0.041 32.450 32.500 -0.015 0.000 0.736 496 K HN 0.819 nan 8.250 nan 0.000 0.453 497 N N 0.013 118.706 118.700 -0.012 0.000 2.446 497 N HA 0.185 4.929 4.740 0.007 0.000 0.265 497 N C -0.046 175.460 175.510 -0.008 0.000 0.975 497 N CA -0.368 52.677 53.050 -0.009 0.000 0.928 497 N CB 1.776 40.257 38.487 -0.010 0.000 1.160 497 N HN -0.009 nan 8.380 nan 0.000 0.495 498 A N 2.190 125.008 122.820 -0.003 0.000 2.186 498 A HA -0.155 4.169 4.320 0.007 0.000 0.219 498 A C 1.603 179.186 177.584 -0.001 0.000 1.159 498 A CA 1.200 53.237 52.037 0.001 0.000 0.680 498 A CB -0.170 18.832 19.000 0.004 0.000 0.787 498 A HN 0.592 nan 8.150 nan 0.000 0.467 499 N N 0.369 119.066 118.700 -0.004 0.000 2.446 499 N HA -0.035 4.709 4.740 0.007 0.000 0.179 499 N C 0.139 175.644 175.510 -0.008 0.000 1.054 499 N CA 0.789 53.837 53.050 -0.004 0.000 0.905 499 N CB -0.015 38.469 38.487 -0.004 0.000 0.973 499 N HN 0.403 nan 8.380 nan 0.000 0.448 500 D N 0.302 120.694 120.400 -0.013 0.000 2.328 500 D HA 0.021 4.665 4.640 0.007 0.000 0.221 500 D C 1.851 178.133 176.300 -0.029 0.000 1.072 500 D CA -0.143 53.844 54.000 -0.021 0.000 0.850 500 D CB 0.217 41.002 40.800 -0.025 0.000 0.922 500 D HN 0.231 nan 8.370 nan 0.000 0.516 501 L N 1.832 123.043 121.223 -0.021 0.000 1.990 501 L HA -0.121 4.223 4.340 0.007 0.000 0.213 501 L C -0.702 176.146 176.870 -0.037 0.000 1.072 501 L CA 1.817 56.642 54.840 -0.026 0.000 0.755 501 L CB -1.027 41.035 42.059 0.004 0.000 0.889 501 L HN 0.000 nan 8.230 nan 0.000 0.432 502 P HA -0.200 nan 4.420 nan 0.000 0.218 502 P C 1.018 178.300 177.300 -0.030 0.000 1.148 502 P CA 1.634 64.724 63.100 -0.017 0.000 0.822 502 P CB -0.112 31.583 31.700 -0.008 0.000 0.784 503 K N -0.861 119.519 120.400 -0.033 0.000 2.155 503 K HA -0.075 4.249 4.320 0.007 0.000 0.203 503 K C 2.124 178.694 176.600 -0.050 0.000 1.052 503 K CA 0.686 56.953 56.287 -0.033 0.000 0.948 503 K CB -0.516 31.967 32.500 -0.029 0.000 0.728 503 K HN 0.080 nan 8.250 nan 0.000 0.448 504 L N 0.672 121.846 121.223 -0.082 0.000 2.095 504 L HA -0.074 4.270 4.340 0.007 0.000 0.204 504 L C 1.909 178.675 176.870 -0.174 0.000 1.080 504 L CA 1.303 56.065 54.840 -0.131 0.000 0.759 504 L CB -0.216 41.736 42.059 -0.178 0.000 0.914 504 L HN -0.160 nan 8.230 nan 0.000 0.439 505 V N 0.049 119.861 119.914 -0.170 0.000 2.332 505 V HA -0.268 3.856 4.120 0.007 0.000 0.248 505 V C 2.656 178.714 176.094 -0.060 0.000 1.055 505 V CA 1.962 64.183 62.300 -0.132 0.000 1.038 505 V CB -0.682 31.118 31.823 -0.038 0.000 0.651 505 V HN 0.536 nan 8.190 nan 0.000 0.450 506 E N 0.736 120.912 120.200 -0.040 0.000 2.216 506 E HA -0.039 4.315 4.350 0.007 0.000 0.192 506 E C 2.160 178.753 176.600 -0.011 0.000 0.988 506 E CA 1.191 57.581 56.400 -0.017 0.000 0.834 506 E CB -0.567 29.128 29.700 -0.009 0.000 0.772 506 E HN 0.471 nan 8.360 nan 0.000 0.479 507 G N 0.594 109.382 108.800 -0.020 0.000 2.402 507 G HA2 -0.204 3.760 3.960 0.007 0.000 0.216 507 G HA3 -0.204 3.760 3.960 0.007 0.000 0.216 507 G C 1.544 176.425 174.900 -0.032 0.000 1.162 507 G CA 0.784 45.892 45.100 0.014 0.000 0.777 507 G HN 0.299 nan 8.290 nan 0.000 0.539 508 L N 0.070 121.251 121.223 -0.071 0.000 2.056 508 L HA 0.008 4.352 4.340 0.007 0.000 0.207 508 L C 2.779 179.613 176.870 -0.060 0.000 1.078 508 L CA 1.351 56.144 54.840 -0.080 0.000 0.749 508 L CB -0.289 41.728 42.059 -0.070 0.000 0.901 508 L HN 0.217 nan 8.230 nan 0.000 0.433 509 K N 0.392 120.773 120.400 -0.033 0.000 2.209 509 K HA -0.215 4.109 4.320 0.007 0.000 0.204 509 K C 2.298 178.880 176.600 -0.031 0.000 1.048 509 K CA 1.201 57.477 56.287 -0.017 0.000 0.940 509 K CB 0.082 32.580 32.500 -0.004 0.000 0.729 509 K HN 0.147 nan 8.250 nan 0.000 0.451 510 R N 0.298 120.778 120.500 -0.034 0.000 2.080 510 R HA -0.064 4.280 4.340 0.007 0.000 0.222 510 R C 2.385 178.581 176.300 -0.173 0.000 1.107 510 R CA 0.783 56.880 56.100 -0.004 0.000 0.980 510 R CB -0.215 30.173 30.300 0.147 0.000 0.879 510 R HN 0.182 nan 8.270 nan 0.000 0.439 511 L N 0.546 121.509 121.223 -0.434 0.000 2.012 511 L HA -0.137 4.207 4.340 0.007 0.000 0.210 511 L C 2.163 178.876 176.870 -0.261 0.000 1.073 511 L CA 2.213 56.636 54.840 -0.695 0.000 0.748 511 L CB -0.819 40.943 42.059 -0.494 0.000 0.891 511 L HN 0.115 nan 8.230 nan 0.000 0.431 512 S N -1.441 114.186 115.700 -0.122 0.000 2.500 512 S HA -0.122 4.352 4.470 0.007 0.000 0.239 512 S C 1.900 176.528 174.600 0.048 0.000 0.989 512 S CA 0.839 59.030 58.200 -0.015 0.000 0.951 512 S CB -0.356 62.851 63.200 0.012 0.000 0.759 512 S HN 0.431 nan 8.310 nan 0.000 0.523 513 K N 0.864 121.275 120.400 0.019 0.000 2.323 513 K HA 0.157 4.481 4.320 0.007 0.000 0.197 513 K C 2.131 178.820 176.600 0.148 0.000 1.043 513 K CA 0.951 57.271 56.287 0.056 0.000 0.997 513 K CB -0.168 32.305 32.500 -0.045 0.000 0.807 513 K HN 0.555 nan 8.250 nan 0.000 0.497 514 S N 0.358 116.126 115.700 0.113 0.000 2.561 514 S HA -0.015 4.459 4.470 0.007 0.000 0.225 514 S C 0.250 174.982 174.600 0.220 0.000 0.977 514 S CA 0.179 58.483 58.200 0.174 0.000 0.926 514 S CB 0.135 63.442 63.200 0.179 0.000 0.769 514 S HN 0.057 nan 8.310 nan 0.000 0.533 515 D N 0.530 121.049 120.400 0.199 0.000 2.891 515 D HA 0.375 5.019 4.640 0.007 0.000 0.224 515 D C -2.703 173.617 176.300 0.033 0.000 1.321 515 D CA -1.893 52.162 54.000 0.091 0.000 0.929 515 D CB 2.163 43.025 40.800 0.102 0.000 1.551 515 D HN -0.205 nan 8.370 nan 0.000 0.574 516 P HA 0.063 nan 4.420 nan 0.000 0.223 516 P C 0.875 178.116 177.300 -0.097 0.000 1.151 516 P CA 0.563 63.519 63.100 -0.240 0.000 0.787 516 P CB 0.331 31.717 31.700 -0.524 0.000 0.788 517 C N -1.121 118.146 119.300 -0.056 0.000 2.780 517 C HA 0.263 4.727 4.460 0.007 0.000 0.287 517 C C 0.778 175.843 174.990 0.125 0.000 1.288 517 C CA -0.239 58.766 59.018 -0.022 0.000 1.713 517 C CB -0.988 26.673 27.740 -0.132 0.000 1.955 517 C HN -0.011 nan 8.230 nan 0.000 0.613 518 V N 2.002 122.006 119.914 0.150 0.000 2.483 518 V HA 0.502 4.626 4.120 0.007 0.000 0.295 518 V C -0.438 175.720 176.094 0.107 0.000 1.035 518 V CA -0.378 62.023 62.300 0.168 0.000 0.896 518 V CB 1.734 33.613 31.823 0.093 0.000 0.986 518 V HN 0.135 nan 8.190 nan 0.000 0.447 519 L N 5.293 126.591 121.223 0.124 0.000 2.356 519 L HA 0.792 5.136 4.340 0.007 0.000 0.277 519 L C 0.077 177.044 176.870 0.162 0.000 0.996 519 L CA 0.131 55.058 54.840 0.146 0.000 0.822 519 L CB 2.023 44.187 42.059 0.175 0.000 1.256 519 L HN 0.841 nan 8.230 nan 0.000 0.413 520 T N 2.210 116.852 114.554 0.146 0.000 2.815 520 T HA 0.707 5.061 4.350 0.007 0.000 0.289 520 T C -0.651 174.152 174.700 0.171 0.000 1.000 520 T CA -0.468 61.687 62.100 0.092 0.000 0.958 520 T CB 0.783 69.672 68.868 0.036 0.000 0.944 520 T HN 0.586 nan 8.240 nan 0.000 0.442 521 Y N 0.712 121.040 120.300 0.046 0.000 2.715 521 Y HA 0.827 5.381 4.550 0.007 0.000 0.331 521 Y C -1.162 174.756 175.900 0.029 0.000 1.197 521 Y CA -2.020 56.099 58.100 0.032 0.000 1.079 521 Y CB 1.657 40.121 38.460 0.007 0.000 1.298 521 Y HN 0.507 nan 8.280 nan 0.000 0.477 522 M N 2.960 122.660 119.600 0.166 0.000 2.181 522 M HA 0.417 4.901 4.480 0.007 0.000 0.323 522 M C -0.442 175.969 176.300 0.185 0.000 1.004 522 M CA -0.885 54.428 55.300 0.023 0.000 0.941 522 M CB 2.127 34.706 32.600 -0.035 0.000 1.579 522 M HN 0.872 nan 8.290 nan 0.000 0.427 523 S N 1.362 117.126 115.700 0.105 0.000 2.596 523 S HA 0.160 4.634 4.470 0.007 0.000 0.260 523 S C 0.811 175.485 174.600 0.123 0.000 1.336 523 S CA -0.484 57.817 58.200 0.168 0.000 0.993 523 S CB 0.958 64.219 63.200 0.100 0.000 0.923 523 S HN 0.785 nan 8.310 nan 0.000 0.567 524 E N 0.806 121.083 120.200 0.130 0.000 2.118 524 E HA -0.163 4.191 4.350 0.007 0.000 0.195 524 E C 2.157 178.752 176.600 -0.009 0.000 0.992 524 E CA 1.541 57.973 56.400 0.054 0.000 0.804 524 E CB -0.292 29.417 29.700 0.014 0.000 0.741 524 E HN 0.868 nan 8.360 nan 0.000 0.458 525 S N -1.057 114.644 115.700 0.000 0.000 2.507 525 S HA 0.016 4.490 4.470 0.007 0.000 0.235 525 S C 1.611 176.196 174.600 -0.025 0.000 0.988 525 S CA 0.679 58.873 58.200 -0.010 0.000 0.944 525 S CB 0.332 63.540 63.200 0.013 0.000 0.762 525 S HN 0.401 nan 8.310 nan 0.000 0.526 526 G N 0.489 109.267 108.800 -0.038 0.000 2.176 526 G HA2 -0.216 3.749 3.960 0.007 0.000 0.232 526 G HA3 -0.216 3.749 3.960 0.007 0.000 0.232 526 G C -0.272 174.527 174.900 -0.168 0.000 0.986 526 G CA -0.057 44.989 45.100 -0.091 0.000 0.643 526 G HN 0.579 nan 8.290 nan 0.000 0.522 527 E N 0.959 121.095 120.200 -0.107 0.000 2.392 527 E HA 0.210 4.564 4.350 0.007 0.000 0.264 527 E C -0.072 176.406 176.600 -0.204 0.000 1.024 527 E CA -0.340 55.996 56.400 -0.105 0.000 0.903 527 E CB 0.329 30.014 29.700 -0.024 0.000 0.963 527 E HN 0.411 nan 8.360 nan 0.000 0.432 528 H N 3.260 122.291 119.070 -0.065 0.000 2.800 528 H HA 0.143 4.703 4.556 0.007 0.000 0.291 528 H C -0.116 175.109 175.328 -0.171 0.000 1.076 528 H CA -0.091 55.893 56.048 -0.105 0.000 1.452 528 H CB 0.274 29.996 29.762 -0.067 0.000 1.461 528 H HN 0.216 nan 8.280 nan 0.000 0.488 529 I N 4.434 124.861 120.570 -0.238 0.000 2.412 529 I HA 0.165 4.339 4.170 0.007 0.000 0.296 529 I C 0.316 176.262 176.117 -0.285 0.000 0.987 529 I CA -0.774 60.295 61.300 -0.384 0.000 1.180 529 I CB 1.730 39.172 38.000 -0.929 0.000 1.340 529 I HN 0.162 nan 8.210 nan 0.000 0.455 530 V N 5.159 124.997 119.914 -0.127 0.000 2.444 530 V HA 0.753 4.877 4.120 0.007 0.000 0.294 530 V C 0.167 176.278 176.094 0.027 0.000 1.022 530 V CA -0.601 61.675 62.300 -0.040 0.000 0.850 530 V CB 1.597 33.404 31.823 -0.027 0.000 0.992 530 V HN 0.895 nan 8.190 nan 0.000 0.426 531 A N 3.611 126.488 122.820 0.094 0.000 2.355 531 A HA 0.979 5.303 4.320 0.007 0.000 0.317 531 A C 0.138 177.822 177.584 0.166 0.000 1.094 531 A CA -0.047 52.080 52.037 0.149 0.000 0.764 531 A CB 1.753 20.888 19.000 0.226 0.000 1.230 531 A HN 1.039 nan 8.150 nan 0.000 0.448 532 G N -0.743 108.174 108.800 0.195 0.000 2.788 532 G HA2 0.503 4.467 3.960 0.007 0.000 0.293 532 G HA3 0.503 4.467 3.960 0.007 0.000 0.293 532 G C 0.651 175.715 174.900 0.273 0.000 1.305 532 G CA 0.373 45.694 45.100 0.368 0.000 1.005 532 G HN 1.124 nan 8.290 nan 0.000 0.496 533 T N -3.462 111.239 114.554 0.245 0.000 3.065 533 T HA 0.482 4.836 4.350 0.007 0.000 0.252 533 T C 0.949 175.738 174.700 0.149 0.000 1.099 533 T CA 0.845 62.971 62.100 0.044 0.000 1.063 533 T CB 0.193 68.961 68.868 -0.167 0.000 0.948 533 T HN 1.354 nan 8.240 nan 0.000 0.506 534 G N -0.208 108.701 108.800 0.182 0.000 2.559 534 G HA2 0.418 4.382 3.960 0.007 0.000 0.291 534 G HA3 0.418 4.382 3.960 0.007 0.000 0.291 534 G C -0.031 174.909 174.900 0.067 0.000 1.424 534 G CA -0.139 45.018 45.100 0.096 0.000 0.786 534 G HN 0.006 nan 8.290 nan 0.000 0.485 535 E N -0.741 119.426 120.200 -0.056 0.000 2.058 535 E HA -0.174 4.180 4.350 0.007 0.000 0.194 535 E C 2.283 178.908 176.600 0.041 0.000 0.997 535 E CA 1.572 57.966 56.400 -0.010 0.000 0.801 535 E CB -0.029 29.623 29.700 -0.079 0.000 0.746 535 E HN 0.312 nan 8.360 nan 0.000 0.450 536 L N 1.061 122.276 121.223 -0.013 0.000 2.072 536 L HA -0.158 4.186 4.340 0.007 0.000 0.205 536 L C 2.521 179.413 176.870 0.036 0.000 1.079 536 L CA 2.075 56.891 54.840 -0.041 0.000 0.752 536 L CB -0.762 41.191 42.059 -0.176 0.000 0.906 536 L HN 0.312 nan 8.230 nan 0.000 0.436 537 H N -0.707 118.365 119.070 0.002 0.000 2.353 537 H HA -0.208 4.352 4.556 0.007 0.000 0.298 537 H C 2.051 177.429 175.328 0.082 0.000 1.103 537 H CA 2.234 58.327 56.048 0.075 0.000 1.293 537 H CB 0.082 29.888 29.762 0.073 0.000 1.372 537 H HN 0.396 nan 8.280 nan 0.000 0.501 538 L N 1.364 122.570 121.223 -0.030 0.000 2.217 538 L HA -0.038 4.307 4.340 0.007 0.000 0.211 538 L C 2.411 179.265 176.870 -0.027 0.000 1.107 538 L CA 1.656 56.458 54.840 -0.063 0.000 0.783 538 L CB -0.509 41.593 42.059 0.072 0.000 0.919 538 L HN 0.191 nan 8.230 nan 0.000 0.442 539 E N 0.379 120.587 120.200 0.013 0.000 2.047 539 E HA -0.213 4.142 4.350 0.007 0.000 0.191 539 E C 2.171 178.790 176.600 0.032 0.000 0.987 539 E CA 2.028 58.447 56.400 0.031 0.000 0.799 539 E CB -0.457 29.263 29.700 0.033 0.000 0.752 539 E HN 0.647 nan 8.360 nan 0.000 0.449 540 I N -1.417 119.178 120.570 0.043 0.000 2.493 540 I HA -0.193 3.981 4.170 0.007 0.000 0.254 540 I C 1.870 178.014 176.117 0.044 0.000 1.160 540 I CA 1.063 62.412 61.300 0.083 0.000 1.445 540 I CB -0.468 37.640 38.000 0.179 0.000 1.086 540 I HN 0.091 nan 8.210 nan 0.000 0.433 541 C N 1.312 120.591 119.300 -0.034 0.000 2.457 541 C HA 0.052 4.516 4.460 0.007 0.000 0.278 541 C C 2.726 177.716 174.990 -0.001 0.000 1.309 541 C CA 0.434 59.423 59.018 -0.049 0.000 1.735 541 C CB -1.045 26.596 27.740 -0.165 0.000 1.992 541 C HN 0.581 nan 8.230 nan 0.000 0.493 542 L N 0.369 121.593 121.223 0.001 0.000 2.291 542 L HA -0.156 4.188 4.340 0.007 0.000 0.214 542 L C 2.672 179.563 176.870 0.035 0.000 1.120 542 L CA 1.196 56.041 54.840 0.009 0.000 0.799 542 L CB -0.617 41.447 42.059 0.008 0.000 0.925 542 L HN 0.499 nan 8.230 nan 0.000 0.446 543 Q N -0.055 119.796 119.800 0.085 0.000 1.994 543 Q HA -0.178 4.166 4.340 0.007 0.000 0.198 543 Q C 1.783 177.930 176.000 0.245 0.000 0.976 543 Q CA 1.508 57.425 55.803 0.191 0.000 0.828 543 Q CB -0.076 28.774 28.738 0.188 0.000 0.894 543 Q HN 0.394 nan 8.270 nan 0.000 0.432 544 D N 0.867 121.377 120.400 0.184 0.000 2.158 544 D HA -0.173 4.471 4.640 0.007 0.000 0.197 544 D C 1.782 178.230 176.300 0.247 0.000 0.995 544 D CA 0.798 54.916 54.000 0.195 0.000 0.846 544 D CB -0.198 40.739 40.800 0.229 0.000 0.941 544 D HN 0.071 nan 8.370 nan 0.000 0.456 545 L N 0.818 122.170 121.223 0.215 0.000 2.056 545 L HA -0.090 4.254 4.340 0.007 0.000 0.207 545 L C 1.804 178.692 176.870 0.029 0.000 1.078 545 L CA 1.722 56.656 54.840 0.156 0.000 0.749 545 L CB -0.304 41.776 42.059 0.035 0.000 0.901 545 L HN -0.044 nan 8.230 nan 0.000 0.433 546 E N -2.396 117.757 120.200 -0.077 0.000 2.489 546 E HA -0.098 4.256 4.350 0.007 0.000 0.193 546 E C 0.907 177.259 176.600 -0.413 0.000 1.057 546 E CA 0.323 56.571 56.400 -0.253 0.000 0.866 546 E CB 0.091 29.585 29.700 -0.343 0.000 0.916 546 E HN 0.717 nan 8.360 nan 0.000 0.500 547 H N -1.683 117.387 119.070 -0.001 0.000 3.400 547 H HA 0.155 4.715 4.556 0.007 0.000 0.251 547 H C 0.551 175.845 175.328 -0.057 0.000 1.040 547 H CA 0.146 56.180 56.048 -0.024 0.000 1.175 547 H CB 0.793 30.542 29.762 -0.022 0.000 1.487 547 H HN 0.020 nan 8.280 nan 0.000 0.505 548 D N -1.067 119.338 120.400 0.009 0.000 3.106 548 D HA 0.022 4.666 4.640 0.007 0.000 0.216 548 D C 1.718 177.928 176.300 -0.151 0.000 1.540 548 D CA 0.181 54.100 54.000 -0.135 0.000 1.389 548 D CB -0.271 40.341 40.800 -0.313 0.000 1.080 548 D HN 0.249 nan 8.370 nan 0.000 0.270 549 H N 1.000 120.064 119.070 -0.010 0.000 2.390 549 H HA -0.020 4.540 4.556 0.007 0.000 0.298 549 H C 1.455 176.763 175.328 -0.034 0.000 1.106 549 H CA 1.785 57.819 56.048 -0.023 0.000 1.297 549 H CB 0.342 30.089 29.762 -0.024 0.000 1.375 549 H HN 0.164 nan 8.280 nan 0.000 0.509 550 A N -0.745 122.116 122.820 0.069 0.000 1.995 550 A HA 0.411 4.735 4.320 0.007 0.000 0.200 550 A C 2.040 179.612 177.584 -0.019 0.000 1.566 550 A CA 0.943 52.984 52.037 0.006 0.000 0.895 550 A CB -0.092 18.896 19.000 -0.019 0.000 1.046 550 A HN 0.405 nan 8.150 nan 0.000 0.523 551 G N -0.840 107.941 108.800 -0.033 0.000 2.179 551 G HA2 -0.144 3.820 3.960 0.007 0.000 0.257 551 G HA3 -0.144 3.820 3.960 0.007 0.000 0.257 551 G C 0.044 174.913 174.900 -0.050 0.000 1.010 551 G CA 0.446 45.522 45.100 -0.039 0.000 0.736 551 G HN 1.057 nan 8.290 nan 0.000 0.513 552 V N 0.728 120.603 119.914 -0.065 0.000 2.555 552 V HA 0.511 4.635 4.120 0.007 0.000 0.302 552 V C -1.899 174.149 176.094 -0.076 0.000 1.038 552 V CA -1.917 60.348 62.300 -0.058 0.000 0.887 552 V CB 2.126 33.920 31.823 -0.048 0.000 0.991 552 V HN 0.057 nan 8.190 nan 0.000 0.434 553 P HA 0.114 nan 4.420 nan 0.000 0.258 553 P C -0.858 176.409 177.300 -0.056 0.000 1.187 553 P CA 0.613 63.677 63.100 -0.060 0.000 0.767 553 P CB 0.164 31.842 31.700 -0.036 0.000 0.770 554 L N 3.225 124.409 121.223 -0.064 0.000 2.333 554 L HA 0.495 4.839 4.340 0.007 0.000 0.269 554 L C 0.704 177.552 176.870 -0.036 0.000 1.010 554 L CA -0.902 53.907 54.840 -0.052 0.000 0.818 554 L CB 2.031 44.052 42.059 -0.063 0.000 1.306 554 L HN 0.181 nan 8.230 nan 0.000 0.430 555 K N 3.297 123.682 120.400 -0.025 0.000 2.347 555 K HA 0.515 4.839 4.320 0.007 0.000 0.262 555 K C -1.142 175.450 176.600 -0.013 0.000 1.052 555 K CA -0.357 55.920 56.287 -0.016 0.000 0.946 555 K CB 0.570 33.064 32.500 -0.010 0.000 1.220 555 K HN 0.486 nan 8.250 nan 0.000 0.450 556 I N 3.851 124.413 120.570 -0.013 0.000 2.321 556 I HA 0.088 4.262 4.170 0.007 0.000 0.291 556 I C 0.602 176.715 176.117 -0.006 0.000 0.998 556 I CA -0.652 60.643 61.300 -0.008 0.000 1.227 556 I CB 1.696 39.692 38.000 -0.007 0.000 1.368 556 I HN 0.609 nan 8.210 nan 0.000 0.466 557 S N 6.473 122.170 115.700 -0.005 0.000 2.593 557 S HA 0.383 4.857 4.470 0.007 0.000 0.269 557 S C -2.390 172.203 174.600 -0.012 0.000 1.334 557 S CA -1.124 57.070 58.200 -0.010 0.000 1.015 557 S CB 0.218 63.411 63.200 -0.011 0.000 0.912 557 S HN 0.318 nan 8.310 nan 0.000 0.541 558 P HA 0.203 nan 4.420 nan 0.000 0.267 558 P C -2.337 174.940 177.300 -0.038 0.000 1.201 558 P CA -0.939 62.132 63.100 -0.049 0.000 0.775 558 P CB -0.561 31.094 31.700 -0.075 0.000 0.854 559 P HA 0.045 nan 4.420 nan 0.000 0.268 559 P C -0.859 176.450 177.300 0.016 0.000 1.205 559 P CA 0.433 63.553 63.100 0.034 0.000 0.771 559 P CB 0.482 32.257 31.700 0.125 0.000 0.858 560 V N 3.391 123.401 119.914 0.159 0.000 2.709 560 V HA 0.212 4.337 4.120 0.007 0.000 0.308 560 V C 0.302 176.561 176.094 0.275 0.000 1.062 560 V CA -0.926 61.490 62.300 0.193 0.000 0.901 560 V CB 2.453 34.372 31.823 0.160 0.000 1.003 560 V HN 0.265 nan 8.190 nan 0.000 0.425 561 V N 3.150 123.240 119.914 0.294 0.000 2.649 561 V HA 0.577 4.701 4.120 0.007 0.000 0.292 561 V C 0.721 176.845 176.094 0.049 0.000 1.055 561 V CA -0.236 62.142 62.300 0.131 0.000 1.023 561 V CB 1.539 33.364 31.823 0.004 0.000 0.992 561 V HN 1.027 nan 8.190 nan 0.000 0.480 562 A N 4.892 127.705 122.820 -0.012 0.000 2.309 562 A HA 0.672 4.996 4.320 0.007 0.000 0.290 562 A C -0.883 176.756 177.584 0.091 0.000 1.206 562 A CA -0.197 51.898 52.037 0.097 0.000 0.850 562 A CB -0.062 19.024 19.000 0.143 0.000 1.118 562 A HN 0.717 nan 8.150 nan 0.000 0.523 563 Y N 1.269 121.731 120.300 0.271 0.000 2.568 563 Y HA 0.664 5.218 4.550 0.007 0.000 0.327 563 Y C 0.761 176.693 175.900 0.054 0.000 1.163 563 Y CA -0.712 57.589 58.100 0.334 0.000 1.219 563 Y CB 1.272 40.002 38.460 0.450 0.000 1.308 563 Y HN 0.526 nan 8.280 nan 0.000 0.503 564 R N 0.967 121.558 120.500 0.152 0.000 2.637 564 R HA 0.371 4.716 4.340 0.007 0.000 0.291 564 R C -1.238 175.105 176.300 0.072 0.000 0.963 564 R CA -0.921 55.085 56.100 -0.157 0.000 0.901 564 R CB 1.755 31.689 30.300 -0.609 0.000 1.160 564 R HN 0.773 nan 8.270 nan 0.000 0.457 565 E N 0.706 120.931 120.200 0.041 0.000 2.175 565 E HA 0.375 4.729 4.350 0.007 0.000 0.278 565 E C -0.339 176.455 176.600 0.325 0.000 0.969 565 E CA -0.388 56.148 56.400 0.227 0.000 0.796 565 E CB 2.188 31.947 29.700 0.099 0.000 1.104 565 E HN 0.370 nan 8.360 nan 0.000 0.395 566 T N 0.684 115.468 114.554 0.382 0.000 2.812 566 T HA 0.551 4.905 4.350 0.007 0.000 0.294 566 T C -1.318 173.323 174.700 -0.099 0.000 1.159 566 T CA -0.678 61.545 62.100 0.206 0.000 1.008 566 T CB 1.462 70.383 68.868 0.089 0.000 1.289 566 T HN 0.291 nan 8.240 nan 0.000 0.514 567 V N 0.752 120.550 119.914 -0.193 0.000 2.919 567 V HA 0.800 4.925 4.120 0.007 0.000 0.316 567 V C 0.529 176.539 176.094 -0.141 0.000 1.077 567 V CA -0.606 61.504 62.300 -0.318 0.000 0.977 567 V CB 1.663 33.259 31.823 -0.379 0.000 1.039 567 V HN 0.916 nan 8.190 nan 0.000 0.441 568 E N 1.353 121.474 120.200 -0.132 0.000 2.340 568 E HA 0.255 4.610 4.350 0.007 0.000 0.198 568 E C 0.777 177.337 176.600 -0.066 0.000 0.961 568 E CA 0.997 57.354 56.400 -0.071 0.000 0.905 568 E CB 0.574 30.241 29.700 -0.056 0.000 0.884 568 E HN 1.099 nan 8.360 nan 0.000 0.491 569 S N -1.659 113.987 115.700 -0.089 0.000 2.819 569 S HA 0.387 4.861 4.470 0.007 0.000 0.299 569 S C -0.580 173.964 174.600 -0.093 0.000 1.192 569 S CA -1.041 57.112 58.200 -0.078 0.000 0.847 569 S CB 1.207 64.365 63.200 -0.070 0.000 1.224 569 S HN 0.045 nan 8.310 nan 0.000 0.537 570 E N 0.754 120.903 120.200 -0.085 0.000 2.366 570 E HA 0.389 4.743 4.350 0.007 0.000 0.266 570 E C -0.578 175.962 176.600 -0.100 0.000 1.051 570 E CA -0.434 55.913 56.400 -0.088 0.000 0.884 570 E CB 0.751 30.402 29.700 -0.082 0.000 1.006 570 E HN 0.586 nan 8.360 nan 0.000 0.417 571 S N 2.202 117.842 115.700 -0.101 0.000 2.593 571 S HA -0.077 4.397 4.470 0.007 0.000 0.300 571 S C 1.198 175.710 174.600 -0.146 0.000 1.267 571 S CA -0.040 58.084 58.200 -0.126 0.000 1.065 571 S CB 0.812 63.950 63.200 -0.103 0.000 0.807 571 S HN 0.573 nan 8.310 nan 0.000 0.499 572 S N 2.310 117.895 115.700 -0.192 0.000 2.392 572 S HA -0.180 4.294 4.470 0.007 0.000 0.232 572 S C 0.928 175.418 174.600 -0.184 0.000 1.041 572 S CA 1.530 59.617 58.200 -0.189 0.000 1.026 572 S CB -0.283 62.772 63.200 -0.241 0.000 0.845 572 S HN 0.913 nan 8.310 nan 0.000 0.465 573 Q N -1.125 118.537 119.800 -0.230 0.000 2.648 573 Q HA 0.419 4.763 4.340 0.007 0.000 0.300 573 Q C -1.453 174.482 176.000 -0.107 0.000 0.954 573 Q CA -0.906 54.798 55.803 -0.165 0.000 0.757 573 Q CB 0.755 29.370 28.738 -0.204 0.000 1.482 573 Q HN -0.095 nan 8.270 nan 0.000 0.437 574 T N 1.386 115.934 114.554 -0.009 0.000 2.902 574 T HA 0.375 4.730 4.350 0.007 0.000 0.301 574 T C -0.187 174.610 174.700 0.162 0.000 1.012 574 T CA 0.464 62.608 62.100 0.074 0.000 1.151 574 T CB 0.380 69.329 68.868 0.135 0.000 0.946 574 T HN 0.556 nan 8.240 nan 0.000 0.542 575 A N 3.719 126.624 122.820 0.141 0.000 2.320 575 A HA 0.624 4.948 4.320 0.007 0.000 0.287 575 A C -0.410 177.190 177.584 0.026 0.000 1.181 575 A CA -0.590 51.572 52.037 0.209 0.000 0.831 575 A CB 0.148 19.241 19.000 0.155 0.000 1.102 575 A HN 0.686 nan 8.150 nan 0.000 0.513 576 L N 2.488 123.560 121.223 -0.253 0.000 2.362 576 L HA 0.856 5.200 4.340 0.007 0.000 0.271 576 L C -0.242 176.250 176.870 -0.630 0.000 1.002 576 L CA 0.121 54.576 54.840 -0.642 0.000 0.818 576 L CB 2.189 43.765 42.059 -0.805 0.000 1.298 576 L HN 0.679 nan 8.230 nan 0.000 0.420 577 S N 3.089 118.519 115.700 -0.450 0.000 2.563 577 S HA 0.618 5.092 4.470 0.007 0.000 0.279 577 S C -1.460 173.015 174.600 -0.208 0.000 1.155 577 S CA -0.767 57.277 58.200 -0.261 0.000 0.928 577 S CB 0.841 63.974 63.200 -0.111 0.000 1.107 577 S HN 0.877 nan 8.310 nan 0.000 0.462 578 K N 1.759 122.069 120.400 -0.151 0.000 2.221 578 K HA 0.789 5.113 4.320 0.007 0.000 0.243 578 K C 0.064 176.632 176.600 -0.054 0.000 0.968 578 K CA -0.688 55.540 56.287 -0.098 0.000 0.846 578 K CB 1.484 33.929 32.500 -0.092 0.000 1.141 578 K HN 0.555 nan 8.250 nan 0.000 0.434 579 S N 0.802 116.484 115.700 -0.029 0.000 2.600 579 S HA 0.127 4.601 4.470 0.007 0.000 0.265 579 S C -1.781 172.800 174.600 -0.033 0.000 1.325 579 S CA -0.964 57.226 58.200 -0.017 0.000 1.002 579 S CB 0.545 63.751 63.200 0.009 0.000 0.921 579 S HN 0.560 nan 8.310 nan 0.000 0.554 580 P HA -0.153 nan 4.420 nan 0.000 0.216 580 P C 1.064 178.328 177.300 -0.060 0.000 1.150 580 P CA 1.447 64.524 63.100 -0.038 0.000 0.843 580 P CB -0.269 31.415 31.700 -0.027 0.000 0.787 581 N N -0.658 118.008 118.700 -0.058 0.000 2.521 581 N HA -0.098 4.646 4.740 0.007 0.000 0.188 581 N C 0.402 175.738 175.510 -0.291 0.000 1.146 581 N CA 0.596 53.584 53.050 -0.103 0.000 0.893 581 N CB -0.707 37.787 38.487 0.012 0.000 0.975 581 N HN -0.015 nan 8.380 nan 0.000 0.451 582 K N -1.239 119.047 120.400 -0.190 0.000 3.407 582 K HA -0.241 4.083 4.320 0.007 0.000 0.312 582 K C -0.095 176.383 176.600 -0.204 0.000 1.302 582 K CA 1.377 57.540 56.287 -0.205 0.000 0.931 582 K CB -2.420 29.938 32.500 -0.237 0.000 1.257 582 K HN 0.647 nan 8.250 nan 0.000 0.454 583 H N -0.466 118.626 119.070 0.037 0.000 2.639 583 H HA 0.173 4.733 4.556 0.007 0.000 0.267 583 H C 0.488 175.874 175.328 0.098 0.000 0.958 583 H CA -0.061 56.041 56.048 0.090 0.000 1.221 583 H CB 0.445 30.279 29.762 0.121 0.000 1.446 583 H HN 0.146 nan 8.280 nan 0.000 0.512 584 N N 1.269 120.065 118.700 0.160 0.000 2.361 584 N HA 0.378 5.122 4.740 0.007 0.000 0.302 584 N C -0.713 174.833 175.510 0.060 0.000 1.074 584 N CA -0.427 52.696 53.050 0.123 0.000 0.850 584 N CB 2.433 40.984 38.487 0.107 0.000 1.228 584 N HN 0.166 nan 8.380 nan 0.000 0.491 585 R N 1.106 121.648 120.500 0.069 0.000 2.673 585 R HA 0.598 4.942 4.340 0.007 0.000 0.281 585 R C -0.729 175.581 176.300 0.017 0.000 0.991 585 R CA -0.648 55.446 56.100 -0.011 0.000 0.896 585 R CB 2.173 32.468 30.300 -0.007 0.000 1.201 585 R HN 0.480 nan 8.270 nan 0.000 0.457 586 I N 3.187 123.693 120.570 -0.106 0.000 2.410 586 I HA 0.330 4.504 4.170 0.007 0.000 0.286 586 I C -0.988 175.045 176.117 -0.140 0.000 1.009 586 I CA -0.783 60.500 61.300 -0.029 0.000 1.111 586 I CB 1.344 39.331 38.000 -0.023 0.000 1.262 586 I HN 0.466 nan 8.210 nan 0.000 0.443 587 Y N 7.168 127.442 120.300 -0.043 0.000 2.330 587 Y HA 0.652 5.206 4.550 0.007 0.000 0.336 587 Y C -0.021 175.848 175.900 -0.050 0.000 1.036 587 Y CA -0.936 57.139 58.100 -0.040 0.000 1.125 587 Y CB 1.494 39.935 38.460 -0.032 0.000 1.194 587 Y HN 0.422 nan 8.280 nan 0.000 0.469 588 L N 0.192 121.468 121.223 0.088 0.000 2.765 588 L HA 0.787 5.131 4.340 0.007 0.000 0.263 588 L C -1.601 175.286 176.870 0.027 0.000 1.068 588 L CA -1.391 53.465 54.840 0.027 0.000 0.903 588 L CB 2.280 44.332 42.059 -0.011 0.000 1.512 588 L HN 0.485 nan 8.230 nan 0.000 0.404 589 K N 0.123 120.521 120.400 -0.003 0.000 2.543 589 K HA 0.876 5.200 4.320 0.007 0.000 0.255 589 K C -1.698 174.892 176.600 -0.016 0.000 0.934 589 K CA -0.314 55.967 56.287 -0.010 0.000 0.810 589 K CB 2.265 34.748 32.500 -0.029 0.000 1.315 589 K HN 1.148 nan 8.250 nan 0.000 0.433 590 A N 2.844 125.660 122.820 -0.006 0.000 2.312 590 A HA 0.651 4.975 4.320 0.007 0.000 0.328 590 A C -1.158 176.403 177.584 -0.038 0.000 1.158 590 A CA -0.456 51.584 52.037 0.005 0.000 0.821 590 A CB 0.754 19.787 19.000 0.054 0.000 1.170 590 A HN 0.807 nan 8.150 nan 0.000 0.490 591 E N 1.547 121.729 120.200 -0.031 0.000 2.372 591 E HA 0.558 4.912 4.350 0.007 0.000 0.279 591 E C -3.132 173.453 176.600 -0.025 0.000 0.946 591 E CA -2.199 54.170 56.400 -0.052 0.000 0.769 591 E CB 2.045 31.699 29.700 -0.076 0.000 1.230 591 E HN 0.350 nan 8.360 nan 0.000 0.442 592 P HA 0.068 nan 4.420 nan 0.000 0.268 592 P C -0.353 176.970 177.300 0.038 0.000 1.208 592 P CA 0.131 63.231 63.100 0.000 0.000 0.777 592 P CB 0.737 32.430 31.700 -0.012 0.000 0.875 593 I N 1.634 122.250 120.570 0.077 0.000 2.404 593 I HA 0.205 4.379 4.170 0.007 0.000 0.293 593 I C 0.427 176.616 176.117 0.119 0.000 0.992 593 I CA -0.982 60.396 61.300 0.131 0.000 1.149 593 I CB 1.119 39.212 38.000 0.155 0.000 1.315 593 I HN 0.142 nan 8.210 nan 0.000 0.446 594 D N 5.681 126.172 120.400 0.151 0.000 2.525 594 D HA -0.057 4.587 4.640 0.007 0.000 0.235 594 D C 1.115 177.490 176.300 0.124 0.000 1.137 594 D CA 0.206 54.288 54.000 0.137 0.000 0.868 594 D CB 1.058 41.967 40.800 0.182 0.000 1.180 594 D HN 0.488 nan 8.370 nan 0.000 0.465 595 E N 1.704 121.969 120.200 0.107 0.000 2.097 595 E HA -0.204 4.150 4.350 0.007 0.000 0.196 595 E C 1.540 178.212 176.600 0.119 0.000 1.000 595 E CA 1.000 57.464 56.400 0.107 0.000 0.804 595 E CB 0.212 29.968 29.700 0.094 0.000 0.740 595 E HN 0.449 nan 8.360 nan 0.000 0.454 596 E N 0.222 120.509 120.200 0.144 0.000 2.070 596 E HA -0.163 4.191 4.350 0.007 0.000 0.197 596 E C 2.307 179.000 176.600 0.156 0.000 1.004 596 E CA 0.967 57.486 56.400 0.199 0.000 0.805 596 E CB -0.309 29.560 29.700 0.282 0.000 0.744 596 E HN 0.143 nan 8.360 nan 0.000 0.451 597 V N 1.079 121.043 119.914 0.084 0.000 2.307 597 V HA -0.209 3.915 4.120 0.007 0.000 0.245 597 V C 2.447 178.502 176.094 -0.064 0.000 1.045 597 V CA 1.826 64.050 62.300 -0.127 0.000 1.024 597 V CB -0.597 31.200 31.823 -0.043 0.000 0.651 597 V HN 0.166 nan 8.190 nan 0.000 0.449 598 S N 0.086 115.806 115.700 0.034 0.000 2.383 598 S HA -0.120 4.354 4.470 0.007 0.000 0.229 598 S C 1.898 176.542 174.600 0.073 0.000 1.030 598 S CA 1.500 59.735 58.200 0.059 0.000 1.002 598 S CB -0.368 62.880 63.200 0.079 0.000 0.829 598 S HN 0.455 nan 8.310 nan 0.000 0.467 599 L N 0.979 122.255 121.223 0.088 0.000 2.056 599 L HA -0.104 4.240 4.340 0.007 0.000 0.207 599 L C 2.820 179.735 176.870 0.074 0.000 1.078 599 L CA 1.141 56.045 54.840 0.107 0.000 0.749 599 L CB -0.760 41.373 42.059 0.123 0.000 0.901 599 L HN 0.313 nan 8.230 nan 0.000 0.433 600 A N 0.541 123.379 122.820 0.029 0.000 1.883 600 A HA -0.216 4.108 4.320 0.007 0.000 0.217 600 A C 2.217 179.785 177.584 -0.026 0.000 1.186 600 A CA 1.771 53.796 52.037 -0.021 0.000 0.624 600 A CB -0.735 18.122 19.000 -0.237 0.000 0.822 600 A HN 0.371 nan 8.150 nan 0.000 0.444 601 I N -0.629 119.927 120.570 -0.023 0.000 2.179 601 I HA -0.248 3.926 4.170 0.007 0.000 0.242 601 I C 2.375 178.506 176.117 0.023 0.000 1.088 601 I CA 1.664 62.976 61.300 0.020 0.000 1.357 601 I CB -0.512 37.551 38.000 0.106 0.000 1.051 601 I HN 0.413 nan 8.210 nan 0.000 0.409 602 E N 0.692 120.923 120.200 0.053 0.000 2.268 602 E HA -0.140 4.215 4.350 0.007 0.000 0.195 602 E C 1.004 177.644 176.600 0.067 0.000 0.995 602 E CA 0.649 57.090 56.400 0.068 0.000 0.836 602 E CB -0.035 29.733 29.700 0.113 0.000 0.763 602 E HN 0.440 nan 8.360 nan 0.000 0.491 603 N N -0.695 118.042 118.700 0.062 0.000 2.230 603 N HA 0.070 4.814 4.740 0.007 0.000 0.202 603 N C 0.824 176.364 175.510 0.050 0.000 1.119 603 N CA 0.744 53.835 53.050 0.068 0.000 0.851 603 N CB 1.314 39.847 38.487 0.076 0.000 0.990 603 N HN 0.247 nan 8.380 nan 0.000 0.497 604 G N 0.993 109.808 108.800 0.025 0.000 2.234 604 G HA2 -0.335 3.629 3.960 0.007 0.000 0.260 604 G HA3 -0.335 3.629 3.960 0.007 0.000 0.260 604 G C 1.112 176.009 174.900 -0.006 0.000 0.987 604 G CA 0.515 45.622 45.100 0.010 0.000 0.625 604 G HN 0.362 nan 8.290 nan 0.000 0.532 605 I N 0.869 121.442 120.570 0.006 0.000 2.052 605 I HA -0.084 4.090 4.170 0.007 0.000 0.235 605 I C 1.634 177.740 176.117 -0.018 0.000 1.046 605 I CA 1.444 62.751 61.300 0.011 0.000 1.308 605 I CB -0.284 37.747 38.000 0.052 0.000 1.031 605 I HN 0.175 nan 8.210 nan 0.000 0.395 606 I N 2.515 123.051 120.570 -0.057 0.000 2.329 606 I HA 0.032 4.207 4.170 0.007 0.000 0.295 606 I C 0.018 176.087 176.117 -0.080 0.000 1.109 606 I CA 0.088 61.350 61.300 -0.064 0.000 1.297 606 I CB -0.366 37.565 38.000 -0.115 0.000 1.433 606 I HN 0.253 nan 8.210 nan 0.000 0.509 607 N N 8.452 127.092 118.700 -0.100 0.000 2.400 607 N HA 0.316 5.060 4.740 0.007 0.000 0.288 607 N C -1.939 173.381 175.510 -0.317 0.000 1.024 607 N CA -1.936 50.989 53.050 -0.207 0.000 0.894 607 N CB 2.537 40.963 38.487 -0.101 0.000 1.173 607 N HN 0.118 nan 8.380 nan 0.000 0.487 608 P HA -0.077 nan 4.420 nan 0.000 0.217 608 P C 0.506 177.708 177.300 -0.164 0.000 1.150 608 P CA 1.318 64.022 63.100 -0.660 0.000 0.832 608 P CB 0.206 31.422 31.700 -0.806 0.000 0.787 609 R N -1.061 119.360 120.500 -0.131 0.000 2.449 609 R HA 0.207 4.552 4.340 0.007 0.000 0.262 609 R C -0.136 176.162 176.300 -0.002 0.000 1.006 609 R CA -0.067 56.012 56.100 -0.036 0.000 1.104 609 R CB -0.601 29.681 30.300 -0.030 0.000 1.206 609 R HN 0.084 nan 8.270 nan 0.000 0.538 610 D N 1.611 122.009 120.400 -0.003 0.000 2.229 610 D HA 0.058 4.703 4.640 0.007 0.000 0.249 610 D C -0.887 175.447 176.300 0.057 0.000 1.027 610 D CA -0.855 53.156 54.000 0.017 0.000 0.923 610 D CB 1.549 42.348 40.800 -0.000 0.000 1.174 610 D HN 0.037 nan 8.370 nan 0.000 0.443 611 D N 1.081 121.501 120.400 0.034 0.000 2.533 611 D HA -0.118 4.526 4.640 0.007 0.000 0.236 611 D C 1.247 177.559 176.300 0.019 0.000 1.137 611 D CA 0.176 54.190 54.000 0.023 0.000 0.867 611 D CB 0.115 40.875 40.800 -0.066 0.000 1.170 611 D HN 0.379 nan 8.370 nan 0.000 0.474 612 F N 2.763 122.738 119.950 0.042 0.000 2.269 612 F HA -0.003 4.528 4.527 0.007 0.000 0.301 612 F C 1.650 177.478 175.800 0.047 0.000 1.082 612 F CA 0.682 58.715 58.000 0.054 0.000 1.360 612 F CB -0.242 38.796 39.000 0.063 0.000 1.041 612 F HN 0.227 nan 8.300 nan 0.000 0.512 613 K N 0.981 120.906 120.400 -0.792 0.000 2.044 613 K HA 0.134 4.458 4.320 0.007 0.000 0.204 613 K C 2.512 178.988 176.600 -0.206 0.000 1.049 613 K CA 0.928 56.904 56.287 -0.519 0.000 0.945 613 K CB -0.498 31.616 32.500 -0.642 0.000 0.724 613 K HN 0.319 nan 8.250 nan 0.000 0.440 614 A N 1.853 124.567 122.820 -0.178 0.000 1.933 614 A HA -0.200 4.124 4.320 0.007 0.000 0.218 614 A C 2.116 179.677 177.584 -0.038 0.000 1.175 614 A CA 1.526 53.512 52.037 -0.085 0.000 0.628 614 A CB -0.471 18.487 19.000 -0.069 0.000 0.814 614 A HN 0.227 nan 8.150 nan 0.000 0.444 615 R N -0.439 120.047 120.500 -0.023 0.000 2.075 615 R HA -0.049 4.295 4.340 0.007 0.000 0.232 615 R C 2.251 178.556 176.300 0.007 0.000 1.126 615 R CA 1.343 57.448 56.100 0.008 0.000 0.963 615 R CB -0.385 29.943 30.300 0.047 0.000 0.858 615 R HN 0.420 nan 8.270 nan 0.000 0.435 616 A N 0.853 123.686 122.820 0.022 0.000 1.933 616 A HA -0.169 4.155 4.320 0.007 0.000 0.218 616 A C 2.136 179.752 177.584 0.053 0.000 1.175 616 A CA 1.405 53.470 52.037 0.047 0.000 0.628 616 A CB -0.443 18.613 19.000 0.094 0.000 0.814 616 A HN 0.283 nan 8.150 nan 0.000 0.444 617 R N 0.208 120.726 120.500 0.030 0.000 2.091 617 R HA -0.053 4.291 4.340 0.007 0.000 0.238 617 R C 1.786 178.122 176.300 0.059 0.000 1.136 617 R CA 1.749 57.871 56.100 0.037 0.000 0.959 617 R CB -0.622 29.684 30.300 0.009 0.000 0.856 617 R HN 0.603 nan 8.270 nan 0.000 0.437 618 I N -0.334 120.272 120.570 0.059 0.000 2.142 618 I HA -0.314 3.860 4.170 0.007 0.000 0.240 618 I C 2.299 178.537 176.117 0.202 0.000 1.078 618 I CA 1.610 62.977 61.300 0.111 0.000 1.343 618 I CB -0.269 37.793 38.000 0.102 0.000 1.046 618 I HN 0.222 nan 8.210 nan 0.000 0.405 619 M N 0.263 119.926 119.600 0.105 0.000 2.202 619 M HA -0.208 4.276 4.480 0.007 0.000 0.262 619 M C 2.403 178.849 176.300 0.243 0.000 1.063 619 M CA 1.960 57.295 55.300 0.058 0.000 1.097 619 M CB -0.423 31.976 32.600 -0.336 0.000 1.382 619 M HN 0.352 nan 8.290 nan 0.000 0.413 620 A N 0.095 123.037 122.820 0.203 0.000 1.874 620 A HA -0.117 4.207 4.320 0.007 0.000 0.214 620 A C 1.690 179.368 177.584 0.157 0.000 1.189 620 A CA 1.572 53.738 52.037 0.214 0.000 0.615 620 A CB -0.396 18.698 19.000 0.156 0.000 0.830 620 A HN 0.344 nan 8.150 nan 0.000 0.443 621 D N 0.078 120.543 120.400 0.110 0.000 2.162 621 D HA -0.042 4.602 4.640 0.007 0.000 0.205 621 D C 0.696 177.002 176.300 0.009 0.000 0.964 621 D CA 1.145 55.177 54.000 0.054 0.000 0.847 621 D CB -0.299 40.519 40.800 0.031 0.000 0.988 621 D HN 0.331 nan 8.370 nan 0.000 0.480 622 D N -1.267 119.127 120.400 -0.010 0.000 2.360 622 D HA 0.029 4.673 4.640 0.007 0.000 0.210 622 D C 0.441 176.405 176.300 -0.560 0.000 1.047 622 D CA 0.295 54.127 54.000 -0.279 0.000 0.854 622 D CB 0.288 40.875 40.800 -0.354 0.000 0.936 622 D HN 0.328 nan 8.370 nan 0.000 0.514 623 Y N -0.991 119.361 120.300 0.086 0.000 2.791 623 Y HA 0.305 4.859 4.550 0.007 0.000 0.263 623 Y C 1.274 177.314 175.900 0.235 0.000 1.089 623 Y CA -0.352 57.832 58.100 0.140 0.000 1.253 623 Y CB 0.948 39.476 38.460 0.113 0.000 1.360 623 Y HN -0.074 nan 8.280 nan 0.000 0.569 624 G N 0.499 109.470 108.800 0.284 0.000 2.314 624 G HA2 -0.306 3.659 3.960 0.007 0.000 0.292 624 G HA3 -0.306 3.659 3.960 0.007 0.000 0.292 624 G C -0.576 174.492 174.900 0.280 0.000 1.059 624 G CA -0.192 45.040 45.100 0.220 0.000 0.982 624 G HN 0.285 nan 8.290 nan 0.000 0.505 625 W N 0.070 121.420 121.300 0.082 0.000 2.496 625 W HA 0.540 5.204 4.660 0.007 0.000 0.327 625 W C 0.059 176.603 176.519 0.041 0.000 1.086 625 W CA -0.852 56.527 57.345 0.057 0.000 1.222 625 W CB 1.008 30.506 29.460 0.062 0.000 1.304 625 W HN 0.120 nan 8.180 nan 0.000 0.547 626 D N 2.317 122.790 120.400 0.121 0.000 2.389 626 D HA -0.065 4.579 4.640 0.007 0.000 0.263 626 D C 1.369 177.779 176.300 0.182 0.000 1.255 626 D CA 0.367 54.424 54.000 0.095 0.000 0.914 626 D CB 1.305 42.106 40.800 0.001 0.000 1.116 626 D HN 0.243 nan 8.370 nan 0.000 0.502 627 V N 3.599 123.610 119.914 0.162 0.000 2.527 627 V HA -0.309 3.815 4.120 0.007 0.000 0.255 627 V C 1.866 178.055 176.094 0.158 0.000 1.081 627 V CA 2.244 64.642 62.300 0.163 0.000 1.092 627 V CB -0.264 31.627 31.823 0.113 0.000 0.673 627 V HN 0.635 nan 8.190 nan 0.000 0.470 628 T N -0.137 114.492 114.554 0.124 0.000 2.674 628 T HA -0.168 4.186 4.350 0.007 0.000 0.265 628 T C 1.581 176.358 174.700 0.129 0.000 1.039 628 T CA 1.752 63.916 62.100 0.106 0.000 1.150 628 T CB -0.408 68.497 68.868 0.061 0.000 0.864 628 T HN 0.591 nan 8.240 nan 0.000 0.427 629 D N 1.545 122.028 120.400 0.138 0.000 2.117 629 D HA -0.005 4.639 4.640 0.007 0.000 0.197 629 D C 2.305 178.785 176.300 0.301 0.000 0.987 629 D CA 1.168 55.270 54.000 0.170 0.000 0.829 629 D CB -0.509 40.345 40.800 0.090 0.000 0.961 629 D HN 0.405 nan 8.370 nan 0.000 0.460 630 A N 0.771 123.822 122.820 0.385 0.000 2.125 630 A HA -0.147 4.177 4.320 0.007 0.000 0.219 630 A C 1.986 179.688 177.584 0.197 0.000 1.156 630 A CA 0.951 53.152 52.037 0.273 0.000 0.671 630 A CB -0.326 18.803 19.000 0.215 0.000 0.794 630 A HN 0.152 nan 8.150 nan 0.000 0.459 631 R N -1.021 119.614 120.500 0.226 0.000 2.312 631 R HA 0.116 4.460 4.340 0.007 0.000 0.205 631 R C 0.461 176.884 176.300 0.204 0.000 0.904 631 R CA 0.191 56.465 56.100 0.290 0.000 1.052 631 R CB 0.186 30.681 30.300 0.325 0.000 1.014 631 R HN 0.137 nan 8.270 nan 0.000 0.503 632 K N 1.083 121.586 120.400 0.170 0.000 2.437 632 K HA 0.240 4.564 4.320 0.007 0.000 0.205 632 K C 0.152 176.853 176.600 0.170 0.000 1.026 632 K CA 0.010 56.391 56.287 0.156 0.000 1.153 632 K CB 0.420 32.969 32.500 0.082 0.000 0.863 632 K HN 0.161 nan 8.250 nan 0.000 0.502 633 I N 1.057 121.720 120.570 0.155 0.000 2.505 633 I HA -0.085 4.089 4.170 0.007 0.000 0.287 633 I C 0.779 177.041 176.117 0.241 0.000 1.104 633 I CA -0.158 61.198 61.300 0.094 0.000 1.387 633 I CB 0.346 38.337 38.000 -0.016 0.000 1.404 633 I HN 0.120 nan 8.210 nan 0.000 0.528 634 W N 6.159 127.390 121.300 -0.116 0.000 2.576 634 W HA 0.112 4.776 4.660 0.007 0.000 0.275 634 W C 0.831 177.320 176.519 -0.049 0.000 1.241 634 W CA -0.231 57.062 57.345 -0.088 0.000 1.328 634 W CB -0.106 29.285 29.460 -0.114 0.000 1.092 634 W HN 0.678 nan 8.180 nan 0.000 0.586 635 C N -3.861 115.517 119.300 0.131 0.000 3.176 635 C HA 0.578 5.042 4.460 0.007 0.000 0.343 635 C C -0.489 174.557 174.990 0.093 0.000 1.332 635 C CA -1.976 57.151 59.018 0.181 0.000 1.200 635 C CB 0.210 28.069 27.740 0.197 0.000 1.440 635 C HN -0.061 nan 8.230 nan 0.000 0.458 636 F N 0.831 120.855 119.950 0.124 0.000 2.525 636 F HA 0.886 5.417 4.527 0.007 0.000 0.346 636 F C 1.137 177.095 175.800 0.264 0.000 1.072 636 F CA 0.591 58.694 58.000 0.172 0.000 1.033 636 F CB 2.181 41.226 39.000 0.075 0.000 1.324 636 F HN 1.210 nan 8.300 nan 0.000 0.491 637 G N 0.450 109.491 108.800 0.402 0.000 2.579 637 G HA2 0.537 4.501 3.960 0.007 0.000 0.292 637 G HA3 0.537 4.501 3.960 0.007 0.000 0.292 637 G C -3.436 171.439 174.900 -0.040 0.000 1.484 637 G CA -1.148 44.013 45.100 0.101 0.000 0.813 637 G HN 0.194 nan 8.290 nan 0.000 0.515 638 P HA 0.375 nan 4.420 nan 0.000 0.293 638 P C -0.376 176.843 177.300 -0.135 0.000 1.304 638 P CA -0.134 62.848 63.100 -0.196 0.000 0.767 638 P CB 0.652 32.197 31.700 -0.259 0.000 1.247 639 D N -1.951 118.339 120.400 -0.183 0.000 3.077 639 D HA -0.176 4.468 4.640 0.007 0.000 0.217 639 D C 0.797 177.050 176.300 -0.079 0.000 1.162 639 D CA 1.869 55.779 54.000 -0.151 0.000 0.943 639 D CB -1.811 38.901 40.800 -0.146 0.000 1.122 639 D HN 0.854 nan 8.370 nan 0.000 0.413 640 G N 1.155 109.942 108.800 -0.021 0.000 2.221 640 G HA2 -0.329 3.635 3.960 0.007 0.000 0.265 640 G HA3 -0.329 3.635 3.960 0.007 0.000 0.265 640 G C 0.521 175.447 174.900 0.043 0.000 1.041 640 G CA 1.082 46.216 45.100 0.056 0.000 0.807 640 G HN 0.766 nan 8.290 nan 0.000 0.502 641 N N -2.186 116.545 118.700 0.051 0.000 1.856 641 N HA 0.156 4.900 4.740 0.007 0.000 0.223 641 N C 1.001 176.536 175.510 0.042 0.000 1.438 641 N CA 0.882 53.894 53.050 -0.063 0.000 0.693 641 N CB -0.626 37.780 38.487 -0.135 0.000 1.051 641 N HN 0.961 nan 8.380 nan 0.000 0.563 642 G N 1.350 110.211 108.800 0.103 0.000 2.716 642 G HA2 0.311 4.275 3.960 0.007 0.000 0.251 642 G HA3 0.311 4.275 3.960 0.007 0.000 0.251 642 G C -1.912 173.103 174.900 0.192 0.000 1.224 642 G CA -0.839 44.312 45.100 0.084 0.000 0.891 642 G HN 0.085 nan 8.290 nan 0.000 0.561 643 P HA 0.102 nan 4.420 nan 0.000 0.237 643 P C -0.782 176.587 177.300 0.114 0.000 1.723 643 P CA 0.070 63.243 63.100 0.121 0.000 0.882 643 P CB -0.194 31.542 31.700 0.059 0.000 1.810 644 N N 0.703 119.504 118.700 0.168 0.000 2.242 644 N HA 0.485 5.229 4.740 0.007 0.000 0.292 644 N C -0.754 174.902 175.510 0.243 0.000 1.125 644 N CA -0.503 52.687 53.050 0.233 0.000 0.783 644 N CB 2.331 40.955 38.487 0.230 0.000 1.558 644 N HN 0.059 nan 8.380 nan 0.000 0.472 645 L N 0.819 122.127 121.223 0.141 0.000 2.422 645 L HA 0.582 4.926 4.340 0.007 0.000 0.264 645 L C -0.779 175.831 176.870 -0.433 0.000 0.984 645 L CA -1.068 53.643 54.840 -0.215 0.000 0.819 645 L CB 2.613 44.529 42.059 -0.238 0.000 1.330 645 L HN 0.098 nan 8.230 nan 0.000 0.410 646 V N 4.043 123.578 119.914 -0.632 0.000 2.357 646 V HA 0.435 4.559 4.120 0.007 0.000 0.284 646 V C -0.169 175.716 176.094 -0.350 0.000 1.018 646 V CA -0.469 61.469 62.300 -0.603 0.000 0.841 646 V CB 1.727 33.111 31.823 -0.731 0.000 0.991 646 V HN 0.368 nan 8.190 nan 0.000 0.437 647 I N 3.491 123.885 120.570 -0.294 0.000 2.354 647 I HA 0.356 4.530 4.170 0.007 0.000 0.292 647 I C -0.033 175.857 176.117 -0.379 0.000 0.989 647 I CA -0.639 60.527 61.300 -0.224 0.000 1.188 647 I CB 1.593 39.545 38.000 -0.080 0.000 1.342 647 I HN 0.582 nan 8.210 nan 0.000 0.457 648 D N 5.979 126.104 120.400 -0.459 0.000 2.336 648 D HA 0.163 4.807 4.640 0.007 0.000 0.249 648 D C 0.077 176.238 176.300 -0.233 0.000 1.213 648 D CA 0.250 53.929 54.000 -0.536 0.000 0.870 648 D CB 0.731 41.206 40.800 -0.542 0.000 1.076 648 D HN 0.477 nan 8.370 nan 0.000 0.483 649 Q N 2.226 121.898 119.800 -0.213 0.000 2.141 649 Q HA 0.129 4.473 4.340 0.007 0.000 0.248 649 Q C 0.044 175.981 176.000 -0.104 0.000 0.834 649 Q CA -0.320 55.408 55.803 -0.125 0.000 1.096 649 Q CB 0.815 29.483 28.738 -0.117 0.000 1.189 649 Q HN 0.584 nan 8.270 nan 0.000 0.471 650 T N -1.175 113.314 114.554 -0.109 0.000 2.882 650 T HA 0.395 4.749 4.350 0.007 0.000 0.287 650 T C -0.042 174.633 174.700 -0.043 0.000 1.014 650 T CA -0.562 61.494 62.100 -0.074 0.000 1.049 650 T CB 1.297 70.129 68.868 -0.060 0.000 1.001 650 T HN -0.011 nan 8.240 nan 0.000 0.525 651 K N 1.322 121.697 120.400 -0.042 0.000 2.559 651 K HA 0.595 4.919 4.320 0.007 0.000 0.249 651 K C -0.080 176.501 176.600 -0.031 0.000 0.958 651 K CA -0.704 55.564 56.287 -0.033 0.000 0.901 651 K CB 1.601 34.076 32.500 -0.041 0.000 1.124 651 K HN 1.019 nan 8.250 nan 0.000 0.437 652 A N 1.283 124.091 122.820 -0.020 0.000 2.800 652 A HA -0.127 4.197 4.320 0.007 0.000 0.292 652 A C -0.200 177.364 177.584 -0.033 0.000 1.474 652 A CA 0.166 52.186 52.037 -0.028 0.000 0.744 652 A CB -1.905 17.074 19.000 -0.035 0.000 1.044 652 A HN 0.357 nan 8.150 nan 0.000 0.489 653 V N 1.595 121.501 119.914 -0.014 0.000 2.364 653 V HA 0.290 4.414 4.120 0.007 0.000 0.272 653 V C 0.782 176.863 176.094 -0.021 0.000 1.036 653 V CA 0.221 62.519 62.300 -0.003 0.000 0.880 653 V CB 1.484 33.328 31.823 0.035 0.000 0.991 653 V HN 0.737 nan 8.190 nan 0.000 0.460 654 Q N 4.033 123.781 119.800 -0.088 0.000 2.289 654 Q HA 0.147 4.492 4.340 0.007 0.000 0.273 654 Q C -0.198 175.710 176.000 -0.153 0.000 1.029 654 Q CA 0.214 55.851 55.803 -0.277 0.000 0.896 654 Q CB 0.057 28.530 28.738 -0.441 0.000 1.182 654 Q HN 0.776 nan 8.270 nan 0.000 0.385 655 Y N 1.043 121.382 120.300 0.064 0.000 4.841 655 Y HA -0.353 4.201 4.550 0.007 0.000 0.242 655 Y C 0.814 176.780 175.900 0.111 0.000 1.002 655 Y CA 0.124 58.272 58.100 0.079 0.000 2.011 655 Y CB -1.633 36.865 38.460 0.063 0.000 1.554 655 Y HN 0.685 nan 8.280 nan 0.000 0.618 656 L N 0.905 122.263 121.223 0.225 0.000 2.051 656 L HA -0.253 4.091 4.340 0.007 0.000 0.214 656 L C 2.536 179.567 176.870 0.269 0.000 1.076 656 L CA 2.814 57.807 54.840 0.256 0.000 0.758 656 L CB -0.677 41.536 42.059 0.258 0.000 0.890 656 L HN 0.589 nan 8.230 nan 0.000 0.433 657 H N -0.022 119.117 119.070 0.115 0.000 2.457 657 H HA -0.103 4.457 4.556 0.007 0.000 0.294 657 H C 1.477 176.790 175.328 -0.025 0.000 1.064 657 H CA 1.545 57.578 56.048 -0.025 0.000 1.330 657 H CB 0.193 29.924 29.762 -0.052 0.000 1.395 657 H HN 0.593 nan 8.280 nan 0.000 0.541 658 E N 0.609 120.869 120.200 0.100 0.000 2.516 658 E HA -0.030 4.325 4.350 0.007 0.000 0.199 658 E C 1.580 178.169 176.600 -0.018 0.000 1.069 658 E CA 0.655 57.080 56.400 0.042 0.000 0.876 658 E CB 0.115 29.880 29.700 0.107 0.000 0.843 658 E HN 0.716 nan 8.360 nan 0.000 0.530 659 I N -3.419 117.141 120.570 -0.016 0.000 4.338 659 I HA 0.194 4.368 4.170 0.007 0.000 0.329 659 I C 1.764 177.886 176.117 0.007 0.000 1.378 659 I CA -0.380 60.936 61.300 0.027 0.000 1.170 659 I CB 0.312 38.380 38.000 0.113 0.000 1.206 659 I HN -0.194 nan 8.210 nan 0.000 0.432 660 K N 1.948 122.225 120.400 -0.205 0.000 2.032 660 K HA -0.200 4.124 4.320 0.007 0.000 0.209 660 K C 1.376 177.858 176.600 -0.197 0.000 1.048 660 K CA 2.456 58.501 56.287 -0.403 0.000 0.927 660 K CB -0.029 31.842 32.500 -1.049 0.000 0.712 660 K HN 0.324 nan 8.250 nan 0.000 0.441 661 D N 0.156 120.431 120.400 -0.210 0.000 2.123 661 D HA -0.128 4.517 4.640 0.007 0.000 0.196 661 D C 1.998 178.296 176.300 -0.003 0.000 0.992 661 D CA 1.223 55.163 54.000 -0.100 0.000 0.833 661 D CB -0.196 40.548 40.800 -0.094 0.000 0.954 661 D HN 0.167 nan 8.370 nan 0.000 0.455 662 S N -0.140 115.569 115.700 0.016 0.000 2.355 662 S HA -0.082 4.392 4.470 0.007 0.000 0.222 662 S C 2.367 177.031 174.600 0.107 0.000 1.031 662 S CA 0.471 58.708 58.200 0.061 0.000 0.993 662 S CB -0.218 63.013 63.200 0.052 0.000 0.859 662 S HN 0.070 nan 8.310 nan 0.000 0.453 663 V N 1.711 121.711 119.914 0.142 0.000 2.287 663 V HA -0.173 3.951 4.120 0.007 0.000 0.248 663 V C 2.341 178.560 176.094 0.210 0.000 1.053 663 V CA 1.571 63.986 62.300 0.193 0.000 1.027 663 V CB -0.793 31.219 31.823 0.315 0.000 0.646 663 V HN 0.317 nan 8.190 nan 0.000 0.447 664 V N 0.146 120.183 119.914 0.204 0.000 2.287 664 V HA -0.307 3.818 4.120 0.007 0.000 0.248 664 V C 2.724 178.932 176.094 0.190 0.000 1.053 664 V CA 2.180 64.598 62.300 0.197 0.000 1.027 664 V CB -1.202 30.692 31.823 0.118 0.000 0.646 664 V HN 0.581 nan 8.190 nan 0.000 0.447 665 A N -0.023 122.882 122.820 0.142 0.000 1.892 665 A HA -0.238 4.086 4.320 0.007 0.000 0.218 665 A C 2.445 180.167 177.584 0.230 0.000 1.188 665 A CA 2.592 54.721 52.037 0.154 0.000 0.631 665 A CB -0.984 18.115 19.000 0.164 0.000 0.822 665 A HN 0.628 nan 8.150 nan 0.000 0.447 666 A N -1.433 121.518 122.820 0.218 0.000 1.883 666 A HA -0.110 4.214 4.320 0.007 0.000 0.217 666 A C 2.061 179.754 177.584 0.181 0.000 1.186 666 A CA 1.754 53.911 52.037 0.200 0.000 0.624 666 A CB -0.789 18.279 19.000 0.113 0.000 0.822 666 A HN 0.705 nan 8.150 nan 0.000 0.444 667 F N 0.708 120.677 119.950 0.032 0.000 2.202 667 F HA -0.198 4.333 4.527 0.007 0.000 0.301 667 F C 2.433 178.220 175.800 -0.021 0.000 1.082 667 F CA 1.899 59.898 58.000 -0.002 0.000 1.313 667 F CB -0.083 38.926 39.000 0.016 0.000 1.024 667 F HN 0.235 nan 8.300 nan 0.000 0.495 668 Q N -0.878 118.900 119.800 -0.036 0.000 2.079 668 Q HA -0.219 4.125 4.340 0.007 0.000 0.200 668 Q C 2.165 177.955 176.000 -0.351 0.000 0.974 668 Q CA 2.061 57.711 55.803 -0.254 0.000 0.840 668 Q CB -1.104 27.450 28.738 -0.306 0.000 0.898 668 Q HN 0.619 nan 8.270 nan 0.000 0.430 669 W N 0.649 121.875 121.300 -0.123 0.000 2.453 669 W HA 0.076 4.740 4.660 0.007 0.000 0.289 669 W C 2.427 178.856 176.519 -0.150 0.000 1.215 669 W CA 0.713 57.988 57.345 -0.116 0.000 1.297 669 W CB -0.292 29.122 29.460 -0.077 0.000 1.113 669 W HN 0.114 nan 8.180 nan 0.000 0.551 670 A N 0.135 122.948 122.820 -0.013 0.000 1.969 670 A HA -0.171 4.153 4.320 0.007 0.000 0.218 670 A C 1.907 179.396 177.584 -0.158 0.000 1.169 670 A CA 2.179 54.140 52.037 -0.127 0.000 0.635 670 A CB -1.263 17.540 19.000 -0.327 0.000 0.810 670 A HN 0.299 nan 8.150 nan 0.000 0.445 671 T N -3.086 111.247 114.554 -0.367 0.000 3.067 671 T HA 0.058 4.412 4.350 0.007 0.000 0.257 671 T C 1.692 176.222 174.700 -0.284 0.000 1.105 671 T CA 1.209 63.059 62.100 -0.418 0.000 1.104 671 T CB 0.056 68.504 68.868 -0.701 0.000 0.925 671 T HN 0.307 nan 8.240 nan 0.000 0.498 672 K N 2.143 122.405 120.400 -0.230 0.000 2.076 672 K HA 0.080 4.404 4.320 0.007 0.000 0.204 672 K C 0.473 176.985 176.600 -0.147 0.000 1.051 672 K CA 0.983 57.152 56.287 -0.197 0.000 0.949 672 K CB 0.088 32.473 32.500 -0.192 0.000 0.726 672 K HN 0.502 nan 8.250 nan 0.000 0.443 673 E N 0.370 120.519 120.200 -0.085 0.000 2.325 673 E HA 0.296 4.650 4.350 0.007 0.000 0.248 673 E C -0.711 175.805 176.600 -0.140 0.000 0.912 673 E CA -0.557 55.777 56.400 -0.111 0.000 0.782 673 E CB 1.434 31.110 29.700 -0.042 0.000 1.264 673 E HN 0.358 nan 8.360 nan 0.000 0.417 674 G N 2.851 111.487 108.800 -0.274 0.000 2.634 674 G HA2 0.106 4.070 3.960 0.007 0.000 0.255 674 G HA3 0.106 4.070 3.960 0.007 0.000 0.255 674 G C -1.321 173.236 174.900 -0.572 0.000 1.205 674 G CA -0.890 43.950 45.100 -0.434 0.000 0.884 674 G HN 0.277 nan 8.290 nan 0.000 0.549 675 P HA -0.025 nan 4.420 nan 0.000 0.229 675 P C 1.735 178.882 177.300 -0.254 0.000 1.160 675 P CA 0.631 63.257 63.100 -0.790 0.000 0.777 675 P CB 0.308 31.503 31.700 -0.841 0.000 0.814 676 I N -0.332 120.171 120.570 -0.110 0.000 2.162 676 I HA -0.109 4.066 4.170 0.007 0.000 0.238 676 I C 1.512 177.820 176.117 0.319 0.000 1.076 676 I CA 1.682 63.085 61.300 0.172 0.000 1.353 676 I CB -0.326 37.884 38.000 0.351 0.000 1.063 676 I HN -0.062 nan 8.210 nan 0.000 0.408 677 F N -1.441 118.450 119.950 -0.099 0.000 2.413 677 F HA 0.545 5.076 4.527 0.007 0.000 0.377 677 F C 0.565 176.295 175.800 -0.117 0.000 1.427 677 F CA -0.220 57.740 58.000 -0.067 0.000 1.050 677 F CB -0.293 38.707 39.000 0.000 0.000 1.526 677 F HN 0.077 nan 8.300 nan 0.000 0.495 678 G N 0.031 108.640 108.800 -0.319 0.000 2.184 678 G HA2 -0.244 3.720 3.960 0.007 0.000 0.264 678 G HA3 -0.244 3.720 3.960 0.007 0.000 0.264 678 G C 0.035 174.690 174.900 -0.409 0.000 0.975 678 G CA 0.392 45.272 45.100 -0.366 0.000 0.642 678 G HN 0.477 nan 8.290 nan 0.000 0.536 679 E N 1.037 120.874 120.200 -0.606 0.000 2.319 679 E HA 0.333 4.687 4.350 0.007 0.000 0.268 679 E C 0.710 177.120 176.600 -0.316 0.000 1.050 679 E CA -0.482 55.624 56.400 -0.489 0.000 0.878 679 E CB 0.687 29.968 29.700 -0.699 0.000 1.066 679 E HN 0.590 nan 8.360 nan 0.000 0.406 680 E N 1.310 121.363 120.200 -0.245 0.000 2.437 680 E HA -0.022 4.332 4.350 0.007 0.000 0.263 680 E C 0.148 176.609 176.600 -0.232 0.000 1.030 680 E CA 0.386 56.645 56.400 -0.236 0.000 0.934 680 E CB 0.534 30.093 29.700 -0.236 0.000 0.943 680 E HN 0.235 nan 8.360 nan 0.000 0.444 681 M N 1.831 121.303 119.600 -0.213 0.000 2.291 681 M HA 0.316 4.800 4.480 0.007 0.000 0.324 681 M C 0.202 176.417 176.300 -0.141 0.000 1.148 681 M CA 0.131 55.350 55.300 -0.136 0.000 1.104 681 M CB 1.079 33.613 32.600 -0.110 0.000 1.483 681 M HN 0.345 nan 8.290 nan 0.000 0.467 682 R N -0.174 120.283 120.500 -0.072 0.000 2.566 682 R HA 0.278 4.622 4.340 0.007 0.000 0.271 682 R C -0.986 175.315 176.300 0.002 0.000 1.071 682 R CA -0.135 55.904 56.100 -0.101 0.000 0.915 682 R CB 1.492 31.622 30.300 -0.284 0.000 1.228 682 R HN 0.841 nan 8.270 nan 0.000 0.449 683 S N 0.714 116.433 115.700 0.030 0.000 3.783 683 S HA -0.122 4.352 4.470 0.007 0.000 0.360 683 S C -0.666 173.991 174.600 0.095 0.000 1.006 683 S CA 0.766 59.007 58.200 0.068 0.000 1.115 683 S CB -1.253 61.982 63.200 0.057 0.000 0.893 683 S HN 0.373 nan 8.310 nan 0.000 0.475 684 V N 1.608 121.602 119.914 0.132 0.000 2.376 684 V HA 0.487 4.612 4.120 0.007 0.000 0.287 684 V C 0.376 176.585 176.094 0.191 0.000 1.015 684 V CA -0.660 61.743 62.300 0.172 0.000 0.834 684 V CB 1.678 33.659 31.823 0.263 0.000 1.001 684 V HN 0.514 nan 8.190 nan 0.000 0.428 685 R N 4.249 124.826 120.500 0.128 0.000 2.255 685 R HA 0.690 5.034 4.340 0.007 0.000 0.326 685 R C -1.476 174.851 176.300 0.044 0.000 0.986 685 R CA -0.345 55.810 56.100 0.091 0.000 0.847 685 R CB 1.573 31.921 30.300 0.081 0.000 1.111 685 R HN 0.498 nan 8.270 nan 0.000 0.452 686 V N 5.167 125.075 119.914 -0.011 0.000 2.370 686 V HA 0.280 4.404 4.120 0.007 0.000 0.283 686 V C -0.507 175.504 176.094 -0.139 0.000 1.023 686 V CA -0.891 61.379 62.300 -0.051 0.000 0.857 686 V CB 1.518 33.311 31.823 -0.049 0.000 0.985 686 V HN 0.784 nan 8.190 nan 0.000 0.443 687 N N 5.203 123.835 118.700 -0.112 0.000 2.558 687 N HA 0.440 5.184 4.740 0.007 0.000 0.242 687 N C -0.345 175.078 175.510 -0.144 0.000 0.979 687 N CA -0.328 52.635 53.050 -0.144 0.000 0.931 687 N CB 1.842 40.257 38.487 -0.120 0.000 1.122 687 N HN 0.580 nan 8.380 nan 0.000 0.508 688 I N 3.279 123.718 120.570 -0.219 0.000 2.576 688 I HA -0.050 4.124 4.170 0.007 0.000 0.288 688 I C 1.594 177.624 176.117 -0.145 0.000 1.126 688 I CA 0.096 61.278 61.300 -0.198 0.000 1.362 688 I CB 0.485 38.281 38.000 -0.340 0.000 1.419 688 I HN 0.378 nan 8.210 nan 0.000 0.533 689 L N 4.296 125.480 121.223 -0.065 0.000 2.162 689 L HA 0.154 4.498 4.340 0.007 0.000 0.205 689 L C 0.494 177.323 176.870 -0.069 0.000 1.086 689 L CA 0.835 55.640 54.840 -0.058 0.000 0.778 689 L CB -0.159 41.886 42.059 -0.024 0.000 0.928 689 L HN 0.635 nan 8.230 nan 0.000 0.446 690 D N -1.904 118.483 120.400 -0.020 0.000 2.648 690 D HA 0.499 5.143 4.640 0.007 0.000 0.244 690 D C -1.526 174.838 176.300 0.106 0.000 1.244 690 D CA -0.190 53.772 54.000 -0.062 0.000 0.772 690 D CB 2.614 43.214 40.800 -0.333 0.000 1.379 690 D HN -0.309 nan 8.370 nan 0.000 0.428 691 V N 0.933 120.894 119.914 0.078 0.000 2.851 691 V HA 0.635 4.759 4.120 0.007 0.000 0.307 691 V C -0.594 175.581 176.094 0.134 0.000 1.129 691 V CA -0.758 61.634 62.300 0.155 0.000 0.932 691 V CB 2.088 33.973 31.823 0.104 0.000 1.024 691 V HN 0.772 nan 8.190 nan 0.000 0.426 692 T N 2.980 117.644 114.554 0.183 0.000 2.812 692 T HA 0.865 5.219 4.350 0.007 0.000 0.282 692 T C -0.927 173.863 174.700 0.151 0.000 0.990 692 T CA -0.580 61.609 62.100 0.149 0.000 0.960 692 T CB 1.237 70.205 68.868 0.168 0.000 0.948 692 T HN 0.391 nan 8.240 nan 0.000 0.438 693 L N 2.607 123.919 121.223 0.148 0.000 2.354 693 L HA 0.496 4.840 4.340 0.007 0.000 0.269 693 L C 0.534 177.510 176.870 0.176 0.000 1.005 693 L CA -1.406 53.538 54.840 0.174 0.000 0.819 693 L CB 1.948 44.123 42.059 0.193 0.000 1.311 693 L HN 0.733 nan 8.230 nan 0.000 0.423 694 H N 1.035 120.157 119.070 0.087 0.000 2.790 694 H HA 0.065 4.625 4.556 0.007 0.000 0.358 694 H C 0.573 175.919 175.328 0.030 0.000 1.103 694 H CA 0.604 56.666 56.048 0.023 0.000 1.426 694 H CB 1.856 31.590 29.762 -0.046 0.000 1.424 694 H HN 0.836 nan 8.280 nan 0.000 0.599 695 A N 4.456 127.046 122.820 -0.383 0.000 1.930 695 A HA -0.096 4.228 4.320 0.007 0.000 0.217 695 A C 0.524 178.045 177.584 -0.105 0.000 1.175 695 A CA 1.012 52.965 52.037 -0.140 0.000 0.627 695 A CB 0.058 18.953 19.000 -0.175 0.000 0.815 695 A HN 0.715 nan 8.150 nan 0.000 0.443 696 D N -0.122 120.332 120.400 0.090 0.000 2.280 696 D HA 0.464 5.108 4.640 0.007 0.000 0.243 696 D C 0.901 177.248 176.300 0.078 0.000 1.129 696 D CA 0.540 54.607 54.000 0.111 0.000 0.848 696 D CB 1.527 42.439 40.800 0.186 0.000 1.107 696 D HN 0.195 nan 8.370 nan 0.000 0.471 697 A N 3.741 126.525 122.820 -0.060 0.000 2.225 697 A HA -0.094 4.230 4.320 0.007 0.000 0.215 697 A C 1.270 178.833 177.584 -0.035 0.000 1.164 697 A CA 0.457 52.457 52.037 -0.063 0.000 0.710 697 A CB -0.406 18.535 19.000 -0.099 0.000 0.780 697 A HN 0.509 nan 8.150 nan 0.000 0.473 701 G N -0.657 108.145 108.800 0.004 0.000 2.684 701 G HA2 0.335 4.299 3.960 0.007 0.000 0.255 701 G HA3 0.335 4.299 3.960 0.007 0.000 0.255 701 G C 1.182 176.087 174.900 0.009 0.000 1.219 701 G CA -0.100 45.001 45.100 0.001 0.000 0.901 701 G HN 0.171 nan 8.290 nan 0.000 0.548 702 G N -0.242 108.563 108.800 0.009 0.000 2.469 702 G HA2 -0.074 3.890 3.960 0.007 0.000 0.219 702 G HA3 -0.074 3.890 3.960 0.007 0.000 0.219 702 G C 1.799 176.704 174.900 0.008 0.000 1.150 702 G CA 1.476 46.585 45.100 0.015 0.000 0.763 702 G HN 0.999 nan 8.290 nan 0.000 0.561 703 G N -0.538 108.261 108.800 -0.002 0.000 2.462 703 G HA2 -0.130 3.834 3.960 0.007 0.000 0.220 703 G HA3 -0.130 3.834 3.960 0.007 0.000 0.220 703 G C 1.845 176.741 174.900 -0.008 0.000 1.121 703 G CA 1.146 46.240 45.100 -0.010 0.000 0.758 703 G HN 0.417 nan 8.290 nan 0.000 0.559 704 Q N -0.430 119.371 119.800 0.002 0.000 2.287 704 Q HA 0.170 4.514 4.340 0.007 0.000 0.201 704 Q C 2.746 178.754 176.000 0.015 0.000 0.946 704 Q CA 0.190 55.997 55.803 0.007 0.000 0.868 704 Q CB -0.118 28.629 28.738 0.015 0.000 0.967 704 Q HN 0.396 nan 8.270 nan 0.000 0.516 705 I N 1.058 121.643 120.570 0.025 0.000 2.277 705 I HA -0.146 4.029 4.170 0.007 0.000 0.243 705 I C 2.484 178.619 176.117 0.031 0.000 1.094 705 I CA 0.789 62.111 61.300 0.037 0.000 1.393 705 I CB -1.060 36.972 38.000 0.055 0.000 1.078 705 I HN 0.109 nan 8.210 nan 0.000 0.417 706 I N 1.523 122.111 120.570 0.030 0.000 2.113 706 I HA -0.277 3.897 4.170 0.007 0.000 0.242 706 I C -0.254 175.864 176.117 0.002 0.000 1.064 706 I CA 2.128 63.447 61.300 0.032 0.000 1.320 706 I CB -1.994 36.023 38.000 0.029 0.000 1.028 706 I HN 0.163 nan 8.210 nan 0.000 0.406 707 P HA -0.111 nan 4.420 nan 0.000 0.216 707 P C 1.643 178.931 177.300 -0.021 0.000 1.153 707 P CA 1.611 64.696 63.100 -0.024 0.000 0.848 707 P CB -0.179 31.511 31.700 -0.016 0.000 0.787 708 T N -0.168 114.380 114.554 -0.011 0.000 2.607 708 T HA -0.238 4.116 4.350 0.007 0.000 0.267 708 T C 1.769 176.453 174.700 -0.026 0.000 1.049 708 T CA 1.966 64.056 62.100 -0.016 0.000 1.162 708 T CB -0.898 67.964 68.868 -0.009 0.000 0.863 708 T HN 0.050 nan 8.240 nan 0.000 0.424 709 M N 1.301 120.894 119.600 -0.012 0.000 2.080 709 M HA -0.041 4.443 4.480 0.007 0.000 0.260 709 M C 2.189 178.452 176.300 -0.061 0.000 1.068 709 M CA 1.510 56.804 55.300 -0.010 0.000 1.109 709 M CB -0.516 32.106 32.600 0.037 0.000 1.342 709 M HN -0.070 nan 8.290 nan 0.000 0.405 710 R N 0.152 120.590 120.500 -0.103 0.000 2.096 710 R HA -0.157 4.187 4.340 0.007 0.000 0.240 710 R C 2.264 178.284 176.300 -0.466 0.000 1.139 710 R CA 2.200 58.128 56.100 -0.286 0.000 0.952 710 R CB -0.412 29.750 30.300 -0.231 0.000 0.854 710 R HN 0.509 nan 8.270 nan 0.000 0.436 711 R N -0.520 119.858 120.500 -0.204 0.000 2.073 711 R HA 0.001 4.345 4.340 0.007 0.000 0.229 711 R C 2.363 178.675 176.300 0.019 0.000 1.120 711 R CA 1.162 57.235 56.100 -0.044 0.000 0.967 711 R CB -0.399 29.998 30.300 0.161 0.000 0.862 711 R HN 0.202 nan 8.270 nan 0.000 0.436 712 A N 0.822 123.640 122.820 -0.002 0.000 1.908 712 A HA -0.177 4.147 4.320 0.007 0.000 0.218 712 A C 2.157 179.776 177.584 0.058 0.000 1.181 712 A CA 2.034 54.089 52.037 0.030 0.000 0.627 712 A CB -0.901 18.085 19.000 -0.024 0.000 0.818 712 A HN 0.283 nan 8.150 nan 0.000 0.445 713 T N -1.062 113.486 114.554 -0.010 0.000 2.746 713 T HA -0.146 4.208 4.350 0.007 0.000 0.267 713 T C 1.770 176.558 174.700 0.146 0.000 1.039 713 T CA 1.664 63.792 62.100 0.047 0.000 1.142 713 T CB -0.423 68.441 68.868 -0.007 0.000 0.866 713 T HN 0.510 nan 8.240 nan 0.000 0.444 714 Y N 1.538 121.797 120.300 -0.068 0.000 2.145 714 Y HA 0.070 4.624 4.550 0.007 0.000 0.286 714 Y C 2.785 178.730 175.900 0.074 0.000 1.145 714 Y CA 0.009 57.992 58.100 -0.195 0.000 1.148 714 Y CB -1.390 36.569 38.460 -0.835 0.000 0.981 714 Y HN 0.208 nan 8.280 nan 0.000 0.507 715 A N 0.006 123.037 122.820 0.353 0.000 1.902 715 A HA -0.107 4.217 4.320 0.007 0.000 0.217 715 A C 2.672 180.457 177.584 0.335 0.000 1.181 715 A CA 1.849 54.172 52.037 0.476 0.000 0.623 715 A CB -1.407 17.918 19.000 0.542 0.000 0.818 715 A HN 0.451 nan 8.150 nan 0.000 0.443 716 G N -1.405 107.541 108.800 0.244 0.000 2.402 716 G HA2 -0.202 3.763 3.960 0.007 0.000 0.216 716 G HA3 -0.202 3.763 3.960 0.007 0.000 0.216 716 G C 1.482 176.477 174.900 0.157 0.000 1.162 716 G CA 1.062 46.251 45.100 0.149 0.000 0.777 716 G HN 0.497 nan 8.290 nan 0.000 0.539 717 F N 1.195 121.205 119.950 0.100 0.000 2.069 717 F HA -0.008 4.523 4.527 0.007 0.000 0.298 717 F C 2.391 178.239 175.800 0.081 0.000 1.113 717 F CA 1.310 59.364 58.000 0.089 0.000 1.214 717 F CB -0.114 38.954 39.000 0.114 0.000 0.978 717 F HN 0.018 nan 8.300 nan 0.000 0.474 718 L N -0.023 121.445 121.223 0.409 0.000 2.456 718 L HA -0.168 4.177 4.340 0.007 0.000 0.224 718 L C 1.950 178.893 176.870 0.121 0.000 1.148 718 L CA 0.601 55.629 54.840 0.313 0.000 0.825 718 L CB -0.482 41.835 42.059 0.430 0.000 0.937 718 L HN 0.299 nan 8.230 nan 0.000 0.450 719 L N -0.718 120.508 121.223 0.006 0.000 2.529 719 L HA 0.138 4.482 4.340 0.007 0.000 0.223 719 L C 1.802 178.575 176.870 -0.161 0.000 1.113 719 L CA -0.040 54.693 54.840 -0.179 0.000 0.861 719 L CB -0.006 41.854 42.059 -0.332 0.000 1.012 719 L HN 0.117 nan 8.230 nan 0.000 0.461 720 A N -0.569 122.154 122.820 -0.161 0.000 2.797 720 A HA 0.127 4.451 4.320 0.007 0.000 0.287 720 A C -0.019 177.439 177.584 -0.209 0.000 1.369 720 A CA -0.224 51.703 52.037 -0.185 0.000 0.968 720 A CB -0.409 18.473 19.000 -0.197 0.000 1.069 720 A HN 0.347 nan 8.150 nan 0.000 0.571 721 D N -0.452 119.852 120.400 -0.159 0.000 3.357 721 D HA -0.093 4.552 4.640 0.007 0.000 0.238 721 D C -2.733 173.465 176.300 -0.170 0.000 1.126 721 D CA 0.312 54.239 54.000 -0.123 0.000 0.984 721 D CB -0.607 40.136 40.800 -0.094 0.000 0.925 721 D HN 0.291 nan 8.370 nan 0.000 0.414 722 P HA 0.221 nan 4.420 nan 0.000 0.268 722 P C -0.291 176.987 177.300 -0.037 0.000 1.205 722 P CA 0.115 63.114 63.100 -0.169 0.000 0.771 722 P CB 0.664 32.393 31.700 0.049 0.000 0.858 723 K N 2.006 122.414 120.400 0.014 0.000 2.536 723 K HA 0.561 4.885 4.320 0.007 0.000 0.269 723 K C -0.344 176.344 176.600 0.147 0.000 0.965 723 K CA -0.734 55.590 56.287 0.062 0.000 0.860 723 K CB 2.312 34.833 32.500 0.034 0.000 1.423 723 K HN 0.504 nan 8.250 nan 0.000 0.438 724 I N -1.732 118.923 120.570 0.141 0.000 2.693 724 I HA 0.483 4.658 4.170 0.007 0.000 0.303 724 I C -0.721 175.540 176.117 0.240 0.000 1.025 724 I CA -0.776 60.654 61.300 0.218 0.000 1.086 724 I CB 2.090 40.200 38.000 0.183 0.000 1.268 724 I HN 0.320 nan 8.210 nan 0.000 0.440 725 Q N 3.976 123.969 119.800 0.321 0.000 2.337 725 Q HA 0.378 4.722 4.340 0.007 0.000 0.266 725 Q C -1.304 175.064 176.000 0.613 0.000 1.023 725 Q CA -0.748 55.285 55.803 0.384 0.000 0.829 725 Q CB 2.690 31.609 28.738 0.302 0.000 1.306 725 Q HN 0.745 nan 8.270 nan 0.000 0.449 726 E N 2.441 122.949 120.200 0.513 0.000 2.179 726 E HA 0.500 4.854 4.350 0.007 0.000 0.275 726 E C -2.565 174.100 176.600 0.108 0.000 0.945 726 E CA -2.343 54.276 56.400 0.365 0.000 0.792 726 E CB 1.344 31.226 29.700 0.303 0.000 1.125 726 E HN 0.174 nan 8.360 nan 0.000 0.397 727 P HA 0.010 nan 4.420 nan 0.000 0.271 727 P C -0.592 176.302 177.300 -0.677 0.000 1.216 727 P CA -0.293 62.390 63.100 -0.695 0.000 0.776 727 P CB 0.999 32.246 31.700 -0.755 0.000 0.881 728 V N 3.869 123.196 119.914 -0.978 0.000 2.638 728 V HA 0.326 4.450 4.120 0.007 0.000 0.306 728 V C 0.086 175.625 176.094 -0.924 0.000 1.052 728 V CA -0.516 61.246 62.300 -0.897 0.000 0.885 728 V CB 1.355 32.585 31.823 -0.988 0.000 0.999 728 V HN 0.335 nan 8.190 nan 0.000 0.424 729 F N 3.628 123.331 119.950 -0.411 0.000 2.378 729 F HA 0.611 5.142 4.527 0.008 0.000 0.319 729 F C 0.090 175.805 175.800 -0.141 0.000 1.155 729 F CA -0.758 57.061 58.000 -0.301 0.000 1.157 729 F CB 1.072 39.914 39.000 -0.264 0.000 1.252 729 F HN 0.312 nan 8.300 nan 0.000 0.550 730 L N 2.738 124.045 121.223 0.139 0.000 2.345 730 L HA 0.556 4.900 4.340 0.007 0.000 0.274 730 L C -1.226 175.614 176.870 -0.051 0.000 0.999 730 L CA -0.524 54.356 54.840 0.066 0.000 0.849 730 L CB 1.133 43.240 42.059 0.080 0.000 1.220 730 L HN 0.364 nan 8.230 nan 0.000 0.422 731 V N 5.600 125.444 119.914 -0.117 0.000 2.383 731 V HA 0.465 4.590 4.120 0.007 0.000 0.275 731 V C -0.291 175.729 176.094 -0.123 0.000 1.036 731 V CA -0.314 61.889 62.300 -0.161 0.000 0.889 731 V CB 1.522 33.206 31.823 -0.231 0.000 0.985 731 V HN 0.921 nan 8.190 nan 0.000 0.459 732 E N 7.023 127.163 120.200 -0.101 0.000 2.092 732 E HA 0.461 4.815 4.350 0.007 0.000 0.271 732 E C -1.116 175.466 176.600 -0.029 0.000 0.919 732 E CA -0.591 55.772 56.400 -0.061 0.000 0.760 732 E CB 1.110 30.781 29.700 -0.047 0.000 1.106 732 E HN 0.777 nan 8.360 nan 0.000 0.408 733 I N 4.156 124.722 120.570 -0.007 0.000 2.362 733 I HA 0.194 4.368 4.170 0.007 0.000 0.289 733 I C -0.408 175.752 176.117 0.072 0.000 0.994 733 I CA -0.965 60.351 61.300 0.028 0.000 1.158 733 I CB 1.667 39.674 38.000 0.011 0.000 1.315 733 I HN 0.432 nan 8.210 nan 0.000 0.451 734 Q N 4.829 124.708 119.800 0.131 0.000 2.274 734 Q HA 0.502 4.846 4.340 0.007 0.000 0.256 734 Q C -0.968 175.097 176.000 0.109 0.000 0.927 734 Q CA 0.059 55.934 55.803 0.120 0.000 0.939 734 Q CB 1.758 30.561 28.738 0.108 0.000 1.201 734 Q HN 0.700 nan 8.270 nan 0.000 0.426 735 C N 4.895 124.263 119.300 0.114 0.000 3.006 735 C HA 0.570 5.034 4.460 0.007 0.000 0.359 735 C C -2.731 172.369 174.990 0.183 0.000 1.103 735 C CA -1.829 57.257 59.018 0.114 0.000 1.286 735 C CB 1.449 29.244 27.740 0.092 0.000 1.694 735 C HN 0.639 nan 8.230 nan 0.000 0.511 736 P HA 0.105 nan 4.420 nan 0.000 0.267 736 P C 0.615 178.077 177.300 0.270 0.000 1.200 736 P CA 0.609 63.847 63.100 0.230 0.000 0.772 736 P CB 0.494 32.306 31.700 0.187 0.000 0.855 737 E N 2.736 123.163 120.200 0.379 0.000 2.114 737 E HA -0.350 4.004 4.350 0.007 0.000 0.199 737 E C 1.613 178.296 176.600 0.138 0.000 1.008 737 E CA 1.816 58.442 56.400 0.376 0.000 0.810 737 E CB -0.074 29.913 29.700 0.479 0.000 0.739 737 E HN 0.536 nan 8.360 nan 0.000 0.456 738 Q N -0.198 119.677 119.800 0.125 0.000 2.077 738 Q HA -0.165 4.179 4.340 0.007 0.000 0.206 738 Q C 2.021 178.053 176.000 0.052 0.000 0.989 738 Q CA 1.678 57.524 55.803 0.072 0.000 0.853 738 Q CB -0.364 28.415 28.738 0.069 0.000 0.907 738 Q HN 0.270 nan 8.270 nan 0.000 0.418 739 A N 0.705 123.564 122.820 0.064 0.000 2.251 739 A HA 0.200 4.524 4.320 0.007 0.000 0.209 739 A C 2.079 179.687 177.584 0.042 0.000 1.187 739 A CA 0.007 52.071 52.037 0.046 0.000 0.823 739 A CB -0.021 19.005 19.000 0.044 0.000 0.846 739 A HN 0.214 nan 8.150 nan 0.000 0.486 740 V N 0.018 119.957 119.914 0.041 0.000 2.469 740 V HA -0.226 3.898 4.120 0.007 0.000 0.251 740 V C 2.757 178.913 176.094 0.103 0.000 1.064 740 V CA 2.029 64.348 62.300 0.033 0.000 1.066 740 V CB -1.100 30.668 31.823 -0.091 0.000 0.667 740 V HN 0.607 nan 8.190 nan 0.000 0.461 741 G N 0.054 108.895 108.800 0.068 0.000 2.448 741 G HA2 -0.158 3.806 3.960 0.007 0.000 0.219 741 G HA3 -0.158 3.806 3.960 0.007 0.000 0.219 741 G C 1.550 176.511 174.900 0.103 0.000 1.127 741 G CA 0.864 46.016 45.100 0.087 0.000 0.766 741 G HN 0.600 nan 8.290 nan 0.000 0.552 742 G N 0.658 109.492 108.800 0.057 0.000 2.484 742 G HA2 -0.035 3.930 3.960 0.007 0.000 0.218 742 G HA3 -0.035 3.930 3.960 0.007 0.000 0.218 742 G C 1.671 176.576 174.900 0.008 0.000 1.130 742 G CA 0.496 45.611 45.100 0.025 0.000 0.784 742 G HN 0.459 nan 8.290 nan 0.000 0.543 743 I N -0.650 119.924 120.570 0.006 0.000 2.163 743 I HA -0.143 4.032 4.170 0.007 0.000 0.240 743 I C 2.328 178.402 176.117 -0.071 0.000 1.081 743 I CA 0.999 62.254 61.300 -0.075 0.000 1.353 743 I CB -0.333 37.566 38.000 -0.168 0.000 1.054 743 I HN 0.112 nan 8.210 nan 0.000 0.407 744 Y N 0.292 120.591 120.300 -0.001 0.000 2.274 744 Y HA -0.246 4.308 4.550 0.006 0.000 0.290 744 Y C 3.010 178.919 175.900 0.016 0.000 1.145 744 Y CA 1.629 59.733 58.100 0.007 0.000 1.203 744 Y CB -0.589 37.862 38.460 -0.014 0.000 0.984 744 Y HN 0.125 nan 8.280 nan 0.000 0.533 745 S N -0.476 115.315 115.700 0.151 0.000 2.400 745 S HA -0.150 4.324 4.470 0.007 0.000 0.232 745 S C 1.976 176.615 174.600 0.066 0.000 1.025 745 S CA 1.534 59.786 58.200 0.087 0.000 0.993 745 S CB -0.527 62.704 63.200 0.052 0.000 0.808 745 S HN 0.219 nan 8.310 nan 0.000 0.478 746 V N 1.452 121.396 119.914 0.050 0.000 2.599 746 V HA 0.090 4.214 4.120 0.007 0.000 0.245 746 V C 2.257 178.432 176.094 0.133 0.000 1.046 746 V CA 1.066 63.399 62.300 0.053 0.000 1.065 746 V CB -0.535 31.262 31.823 -0.045 0.000 0.703 746 V HN 0.438 nan 8.190 nan 0.000 0.464 747 L N 0.484 121.789 121.223 0.135 0.000 2.201 747 L HA -0.075 4.269 4.340 0.007 0.000 0.212 747 L C 1.706 178.642 176.870 0.110 0.000 1.105 747 L CA 0.995 55.915 54.840 0.134 0.000 0.775 747 L CB -0.531 41.564 42.059 0.060 0.000 0.913 747 L HN 0.382 nan 8.230 nan 0.000 0.440 748 N N 0.959 119.724 118.700 0.108 0.000 2.434 748 N HA -0.051 4.693 4.740 0.007 0.000 0.196 748 N C 0.870 176.428 175.510 0.081 0.000 1.183 748 N CA 0.520 53.627 53.050 0.095 0.000 0.849 748 N CB 0.130 38.675 38.487 0.097 0.000 0.992 748 N HN 0.564 nan 8.380 nan 0.000 0.460 749 K N -1.547 118.907 120.400 0.089 0.000 2.562 749 K HA 0.296 4.620 4.320 0.007 0.000 0.201 749 K C 0.222 176.879 176.600 0.095 0.000 1.131 749 K CA -0.267 56.069 56.287 0.081 0.000 1.059 749 K CB 0.471 33.015 32.500 0.072 0.000 0.913 749 K HN -0.261 nan 8.250 nan 0.000 0.563 750 K N 1.480 121.944 120.400 0.106 0.000 2.506 750 K HA 0.305 4.629 4.320 0.007 0.000 0.204 750 K C -0.515 176.133 176.600 0.079 0.000 1.045 750 K CA -0.310 56.041 56.287 0.107 0.000 1.074 750 K CB 0.528 33.112 32.500 0.141 0.000 0.842 750 K HN 0.189 nan 8.250 nan 0.000 0.514 751 R N -0.473 120.072 120.500 0.076 0.000 3.525 751 R HA -0.157 4.187 4.340 0.007 0.000 0.276 751 R C 0.308 176.647 176.300 0.065 0.000 1.116 751 R CA 0.633 56.774 56.100 0.068 0.000 0.745 751 R CB -2.207 28.132 30.300 0.066 0.000 1.185 751 R HN 0.372 nan 8.270 nan 0.000 0.454 752 G N 0.590 109.429 108.800 0.065 0.000 2.476 752 G HA2 0.296 4.261 3.960 0.007 0.000 0.269 752 G HA3 0.296 4.261 3.960 0.007 0.000 0.269 752 G C -0.502 174.442 174.900 0.073 0.000 1.195 752 G CA -0.336 44.797 45.100 0.055 0.000 0.843 752 G HN 0.194 nan 8.290 nan 0.000 0.545 753 Q N 1.365 121.216 119.800 0.085 0.000 2.290 753 Q HA 0.419 4.763 4.340 0.007 0.000 0.269 753 Q C -0.937 175.078 176.000 0.025 0.000 1.016 753 Q CA -0.660 55.201 55.803 0.096 0.000 0.754 753 Q CB 1.930 30.773 28.738 0.174 0.000 1.247 753 Q HN 0.358 nan 8.270 nan 0.000 0.451 754 V N 4.670 124.596 119.914 0.019 0.000 2.585 754 V HA 0.011 4.135 4.120 0.007 0.000 0.296 754 V C 0.981 177.039 176.094 -0.060 0.000 1.035 754 V CA 0.128 62.410 62.300 -0.030 0.000 1.084 754 V CB 1.137 33.002 31.823 0.069 0.000 0.953 754 V HN 0.811 nan 8.190 nan 0.000 0.483 755 V N 3.182 123.002 119.914 -0.157 0.000 2.672 755 V HA 0.133 4.257 4.120 0.007 0.000 0.242 755 V C 0.742 176.794 176.094 -0.070 0.000 1.059 755 V CA 1.385 63.585 62.300 -0.167 0.000 1.081 755 V CB 0.551 32.167 31.823 -0.345 0.000 0.752 755 V HN 1.015 nan 8.190 nan 0.000 0.472 756 S N -0.862 114.806 115.700 -0.054 0.000 2.578 756 S HA 0.517 4.991 4.470 0.007 0.000 0.272 756 S C -1.166 173.454 174.600 0.032 0.000 1.145 756 S CA -0.736 57.464 58.200 0.000 0.000 0.835 756 S CB 2.441 65.637 63.200 -0.006 0.000 1.104 756 S HN 0.307 nan 8.310 nan 0.000 0.458 757 E N 0.663 120.912 120.200 0.081 0.000 2.460 757 E HA 0.317 4.671 4.350 0.007 0.000 0.249 757 E C -1.042 175.671 176.600 0.189 0.000 0.962 757 E CA -0.137 56.347 56.400 0.141 0.000 0.787 757 E CB 1.017 30.822 29.700 0.175 0.000 1.341 757 E HN 0.685 nan 8.360 nan 0.000 0.407 758 E N 3.416 123.720 120.200 0.174 0.000 2.222 758 E HA 0.217 4.571 4.350 0.007 0.000 0.272 758 E C -1.022 175.665 176.600 0.145 0.000 0.982 758 E CA -0.568 55.915 56.400 0.138 0.000 0.842 758 E CB 1.581 31.318 29.700 0.061 0.000 1.144 758 E HN 0.437 nan 8.360 nan 0.000 0.397 759 Q N 3.166 122.962 119.800 -0.007 0.000 2.337 759 Q HA 0.267 4.611 4.340 0.007 0.000 0.266 759 Q C -0.903 174.962 176.000 -0.225 0.000 1.023 759 Q CA -0.880 54.720 55.803 -0.339 0.000 0.829 759 Q CB 1.535 29.935 28.738 -0.564 0.000 1.306 759 Q HN 0.518 nan 8.270 nan 0.000 0.449 760 R N 4.330 124.685 120.500 -0.242 0.000 2.489 760 R HA 0.084 4.428 4.340 0.007 0.000 0.287 760 R C -1.795 174.425 176.300 -0.132 0.000 1.053 760 R CA -1.027 54.993 56.100 -0.134 0.000 1.036 760 R CB 0.468 30.715 30.300 -0.088 0.000 0.966 760 R HN 0.518 nan 8.270 nan 0.000 0.432 761 P HA -0.233 nan 4.420 nan 0.000 0.210 761 P C 0.788 178.043 177.300 -0.076 0.000 1.151 761 P CA 2.067 65.125 63.100 -0.069 0.000 0.949 761 P CB -0.005 31.667 31.700 -0.046 0.000 0.786 762 G N -1.754 107.006 108.800 -0.066 0.000 2.473 762 G HA2 -0.062 3.902 3.960 0.007 0.000 0.212 762 G HA3 -0.062 3.902 3.960 0.007 0.000 0.212 762 G C 0.455 175.302 174.900 -0.089 0.000 1.211 762 G CA 1.177 46.235 45.100 -0.069 0.000 0.813 762 G HN 0.491 nan 8.290 nan 0.000 0.541 763 T N 0.008 114.514 114.554 -0.081 0.000 2.795 763 T HA 0.292 4.646 4.350 0.007 0.000 0.314 763 T C -1.702 172.935 174.700 -0.104 0.000 1.069 763 T CA -0.675 61.369 62.100 -0.093 0.000 1.071 763 T CB 1.496 70.393 68.868 0.048 0.000 0.988 763 T HN 0.111 nan 8.240 nan 0.000 0.543 764 P HA 0.276 nan 4.420 nan 0.000 0.243 764 P C -0.480 176.818 177.300 -0.002 0.000 1.672 764 P CA -0.448 62.614 63.100 -0.062 0.000 1.000 764 P CB -0.197 31.509 31.700 0.011 0.000 1.562 765 L N 0.705 121.918 121.223 -0.017 0.000 2.276 765 L HA 0.471 4.815 4.340 0.007 0.000 0.286 765 L C -0.595 176.181 176.870 -0.157 0.000 1.061 765 L CA -0.504 54.359 54.840 0.037 0.000 0.807 765 L CB 0.009 42.117 42.059 0.082 0.000 1.177 765 L HN -0.188 nan 8.230 nan 0.000 0.429 766 F N 2.242 122.228 119.950 0.061 0.000 2.483 766 F HA 0.557 5.088 4.527 0.006 0.000 0.329 766 F C 0.614 176.433 175.800 0.031 0.000 1.064 766 F CA -0.422 57.607 58.000 0.048 0.000 0.986 766 F CB 2.005 41.042 39.000 0.062 0.000 1.218 766 F HN 0.307 nan 8.300 nan 0.000 0.484 767 T N 2.204 116.891 114.554 0.222 0.000 3.150 767 T HA 0.352 4.706 4.350 0.007 0.000 0.383 767 T C -0.730 174.026 174.700 0.093 0.000 1.313 767 T CA -0.455 61.716 62.100 0.118 0.000 1.235 767 T CB 0.329 69.234 68.868 0.062 0.000 1.088 767 T HN 0.190 nan 8.240 nan 0.000 0.556 768 V N 4.021 123.971 119.914 0.059 0.000 2.530 768 V HA 0.369 4.493 4.120 0.007 0.000 0.282 768 V C 0.338 176.394 176.094 -0.064 0.000 1.048 768 V CA -0.404 61.884 62.300 -0.019 0.000 0.997 768 V CB 0.862 32.609 31.823 -0.126 0.000 0.987 768 V HN 0.611 nan 8.190 nan 0.000 0.477 769 K N 3.366 123.714 120.400 -0.087 0.000 2.270 769 K HA 0.868 5.192 4.320 0.007 0.000 0.255 769 K C -0.552 175.924 176.600 -0.207 0.000 0.936 769 K CA -0.398 55.807 56.287 -0.136 0.000 0.809 769 K CB 2.301 34.724 32.500 -0.128 0.000 1.131 769 K HN 0.846 nan 8.250 nan 0.000 0.427 770 A N 2.012 124.682 122.820 -0.250 0.000 2.609 770 A HA 0.557 4.881 4.320 0.007 0.000 0.291 770 A C -1.959 175.451 177.584 -0.290 0.000 1.096 770 A CA -0.773 51.090 52.037 -0.290 0.000 0.684 770 A CB 0.660 19.558 19.000 -0.169 0.000 1.282 770 A HN 0.537 nan 8.150 nan 0.000 0.412 771 Y N -0.021 120.256 120.300 -0.038 0.000 2.313 771 Y HA 0.570 5.125 4.550 0.007 0.000 0.332 771 Y C -0.062 175.788 175.900 -0.083 0.000 1.071 771 Y CA -0.597 57.476 58.100 -0.046 0.000 1.169 771 Y CB 1.481 39.955 38.460 0.023 0.000 1.192 771 Y HN 0.527 nan 8.280 nan 0.000 0.487 772 L N 7.037 128.289 121.223 0.049 0.000 2.372 772 L HA 0.630 4.974 4.340 0.007 0.000 0.273 772 L C -2.859 173.987 176.870 -0.041 0.000 0.989 772 L CA -2.524 52.286 54.840 -0.050 0.000 0.841 772 L CB 1.596 43.506 42.059 -0.248 0.000 1.225 772 L HN 0.286 nan 8.230 nan 0.000 0.414 773 P HA -0.008 nan 4.420 nan 0.000 0.262 773 P C 1.007 178.247 177.300 -0.099 0.000 1.182 773 P CA 0.046 63.080 63.100 -0.109 0.000 0.761 773 P CB 0.699 32.386 31.700 -0.022 0.000 0.795 774 V N 2.986 122.739 119.914 -0.269 0.000 2.392 774 V HA -0.272 3.853 4.120 0.007 0.000 0.249 774 V C 1.806 177.857 176.094 -0.072 0.000 1.059 774 V CA 2.496 64.647 62.300 -0.249 0.000 1.051 774 V CB -1.442 30.056 31.823 -0.542 0.000 0.658 774 V HN 0.675 nan 8.190 nan 0.000 0.455 775 N N 0.042 118.751 118.700 0.016 0.000 2.521 775 N HA -0.105 4.639 4.740 0.007 0.000 0.188 775 N C 1.134 176.794 175.510 0.250 0.000 1.146 775 N CA 0.724 53.906 53.050 0.221 0.000 0.893 775 N CB -0.123 38.515 38.487 0.251 0.000 0.975 775 N HN 0.456 nan 8.380 nan 0.000 0.451 776 E N -0.688 119.597 120.200 0.141 0.000 2.562 776 E HA 0.067 4.422 4.350 0.007 0.000 0.214 776 E C 0.549 177.221 176.600 0.121 0.000 0.979 776 E CA 0.234 56.721 56.400 0.144 0.000 1.002 776 E CB 0.537 30.293 29.700 0.093 0.000 1.048 776 E HN 0.538 nan 8.360 nan 0.000 0.488 777 S N -0.406 115.318 115.700 0.040 0.000 2.535 777 S HA 0.142 4.616 4.470 0.007 0.000 0.214 777 S C 0.610 175.211 174.600 0.003 0.000 0.980 777 S CA -0.499 57.676 58.200 -0.041 0.000 0.907 777 S CB -0.535 62.588 63.200 -0.129 0.000 0.790 777 S HN 0.002 nan 8.310 nan 0.000 0.510 778 F N 3.134 123.155 119.950 0.118 0.000 2.518 778 F HA 0.434 4.965 4.527 0.007 0.000 0.375 778 F C 1.719 177.575 175.800 0.094 0.000 1.097 778 F CA 0.987 59.044 58.000 0.095 0.000 1.108 778 F CB 0.001 39.049 39.000 0.080 0.000 1.078 778 F HN 0.379 nan 8.300 nan 0.000 0.564 779 G N 3.299 112.235 108.800 0.226 0.000 2.143 779 G HA2 -0.392 3.573 3.960 0.007 0.000 0.249 779 G HA3 -0.392 3.573 3.960 0.007 0.000 0.249 779 G C 0.799 175.764 174.900 0.109 0.000 0.981 779 G CA 0.231 45.414 45.100 0.139 0.000 0.665 779 G HN 0.645 nan 8.290 nan 0.000 0.528 780 F N 2.299 122.239 119.950 -0.015 0.000 2.102 780 F HA -0.100 4.432 4.527 0.008 0.000 0.298 780 F C 2.829 178.590 175.800 -0.064 0.000 1.105 780 F CA 3.067 61.041 58.000 -0.044 0.000 1.239 780 F CB -0.467 38.483 39.000 -0.083 0.000 0.991 780 F HN 0.354 nan 8.300 nan 0.000 0.474 781 T N -2.167 112.341 114.554 -0.077 0.000 2.833 781 T HA -0.053 4.301 4.350 0.007 0.000 0.269 781 T C 2.283 176.873 174.700 -0.184 0.000 1.054 781 T CA 1.132 63.123 62.100 -0.181 0.000 1.135 781 T CB -1.489 67.324 68.868 -0.092 0.000 0.869 781 T HN 0.324 nan 8.240 nan 0.000 0.466 782 G N 1.313 110.044 108.800 -0.115 0.000 2.402 782 G HA2 -0.119 3.845 3.960 0.007 0.000 0.216 782 G HA3 -0.119 3.845 3.960 0.007 0.000 0.216 782 G C 1.557 176.391 174.900 -0.110 0.000 1.162 782 G CA 0.681 45.732 45.100 -0.082 0.000 0.777 782 G HN 0.644 nan 8.290 nan 0.000 0.539 783 E N -0.226 119.882 120.200 -0.153 0.000 2.072 783 E HA -0.041 4.313 4.350 0.007 0.000 0.190 783 E C 2.383 178.845 176.600 -0.231 0.000 0.982 783 E CA 0.545 56.850 56.400 -0.159 0.000 0.803 783 E CB -0.189 29.429 29.700 -0.137 0.000 0.755 783 E HN 0.317 nan 8.360 nan 0.000 0.453 784 L N 1.543 122.517 121.223 -0.416 0.000 2.131 784 L HA -0.166 4.178 4.340 0.007 0.000 0.210 784 L C 2.356 179.096 176.870 -0.216 0.000 1.092 784 L CA 1.568 56.160 54.840 -0.413 0.000 0.759 784 L CB -0.300 41.353 42.059 -0.677 0.000 0.903 784 L HN -0.092 nan 8.230 nan 0.000 0.435 785 R N -0.356 120.040 120.500 -0.173 0.000 2.082 785 R HA -0.236 4.108 4.340 0.007 0.000 0.234 785 R C 2.448 178.711 176.300 -0.061 0.000 1.136 785 R CA 2.270 58.317 56.100 -0.088 0.000 0.935 785 R CB -0.665 29.601 30.300 -0.058 0.000 0.842 785 R HN 0.644 nan 8.270 nan 0.000 0.430 786 Q N -0.741 119.022 119.800 -0.062 0.000 2.050 786 Q HA -0.122 4.223 4.340 0.007 0.000 0.202 786 Q C 1.839 177.817 176.000 -0.037 0.000 0.980 786 Q CA 1.853 57.633 55.803 -0.038 0.000 0.840 786 Q CB -0.280 28.438 28.738 -0.034 0.000 0.898 786 Q HN 0.464 nan 8.270 nan 0.000 0.424 787 A N 0.069 122.855 122.820 -0.056 0.000 2.070 787 A HA -0.124 4.200 4.320 0.007 0.000 0.220 787 A C 1.885 179.453 177.584 -0.028 0.000 1.159 787 A CA 1.740 53.752 52.037 -0.042 0.000 0.656 787 A CB -0.455 18.510 19.000 -0.060 0.000 0.800 787 A HN 0.622 nan 8.150 nan 0.000 0.453 788 T N -5.782 108.752 114.554 -0.034 0.000 3.084 788 T HA 0.438 4.792 4.350 0.007 0.000 0.270 788 T C 1.244 175.943 174.700 -0.001 0.000 1.008 788 T CA 0.972 63.064 62.100 -0.013 0.000 0.900 788 T CB 0.212 69.069 68.868 -0.018 0.000 1.084 788 T HN 1.605 nan 8.240 nan 0.000 0.538 789 G N 1.082 109.878 108.800 -0.005 0.000 2.168 789 G HA2 0.073 4.038 3.960 0.007 0.000 0.257 789 G HA3 0.073 4.038 3.960 0.007 0.000 0.257 789 G C 1.124 176.028 174.900 0.007 0.000 0.997 789 G CA 0.453 45.556 45.100 0.004 0.000 0.708 789 G HN 1.857 nan 8.290 nan 0.000 0.520 790 G N -1.859 106.942 108.800 0.001 0.000 2.157 790 G HA2 -0.227 3.737 3.960 0.007 0.000 0.239 790 G HA3 -0.227 3.737 3.960 0.007 0.000 0.239 790 G C 0.900 175.810 174.900 0.017 0.000 0.982 790 G CA 1.107 46.212 45.100 0.008 0.000 0.650 790 G HN 0.833 nan 8.290 nan 0.000 0.527 791 Q N -0.284 119.527 119.800 0.018 0.000 2.424 791 Q HA 0.422 4.766 4.340 0.007 0.000 0.204 791 Q C 1.505 177.528 176.000 0.039 0.000 0.933 791 Q CA 0.951 56.770 55.803 0.025 0.000 0.929 791 Q CB 0.393 29.152 28.738 0.035 0.000 1.037 791 Q HN 1.026 nan 8.270 nan 0.000 0.511 792 A N 0.845 123.686 122.820 0.034 0.000 2.354 792 A HA 0.397 4.721 4.320 0.007 0.000 0.269 792 A C -0.929 176.720 177.584 0.108 0.000 1.109 792 A CA -0.260 51.805 52.037 0.047 0.000 0.800 792 A CB 0.063 19.053 19.000 -0.015 0.000 1.045 792 A HN 0.208 nan 8.150 nan 0.000 0.489 793 F N 4.617 124.539 119.950 -0.047 0.000 2.363 793 F HA 0.465 4.996 4.527 0.007 0.000 0.366 793 F C -2.472 173.306 175.800 -0.036 0.000 1.083 793 F CA -2.656 55.315 58.000 -0.048 0.000 1.176 793 F CB 1.316 40.281 39.000 -0.058 0.000 1.432 793 F HN 0.307 nan 8.300 nan 0.000 0.482 794 P HA 0.169 nan 4.420 nan 0.000 0.270 794 P C -1.458 175.609 177.300 -0.388 0.000 1.223 794 P CA -0.051 62.907 63.100 -0.237 0.000 0.785 794 P CB 0.661 32.269 31.700 -0.153 0.000 0.923 795 Q N 1.367 121.018 119.800 -0.249 0.000 3.091 795 Q HA 0.277 4.621 4.340 0.007 0.000 0.203 795 Q C -1.579 174.287 176.000 -0.223 0.000 0.768 795 Q CA -0.185 55.465 55.803 -0.254 0.000 0.955 795 Q CB 0.138 28.756 28.738 -0.199 0.000 1.533 795 Q HN 0.452 nan 8.270 nan 0.000 0.472 796 M N 1.006 120.433 119.600 -0.289 0.000 2.456 796 M HA 0.860 5.344 4.480 0.007 0.000 0.324 796 M C -1.441 174.707 176.300 -0.254 0.000 1.124 796 M CA -1.064 54.042 55.300 -0.324 0.000 0.959 796 M CB 2.238 34.486 32.600 -0.586 0.000 1.692 796 M HN 0.203 nan 8.290 nan 0.000 0.444 797 V N 3.290 123.167 119.914 -0.063 0.000 2.962 797 V HA 0.567 4.691 4.120 0.007 0.000 0.313 797 V C -1.285 174.982 176.094 0.287 0.000 1.099 797 V CA -0.751 61.602 62.300 0.089 0.000 0.971 797 V CB 2.404 34.226 31.823 -0.001 0.000 1.028 797 V HN 0.849 nan 8.190 nan 0.000 0.430 798 F N 4.083 124.129 119.950 0.160 0.000 2.607 798 F HA 0.223 4.754 4.527 0.007 0.000 0.374 798 F C 0.755 176.507 175.800 -0.079 0.000 1.104 798 F CA 1.235 59.194 58.000 -0.068 0.000 1.296 798 F CB 1.089 39.968 39.000 -0.200 0.000 1.085 798 F HN 0.833 nan 8.300 nan 0.000 0.584 799 D N 2.090 121.880 120.400 -1.017 0.000 3.194 799 D HA 0.084 4.728 4.640 0.007 0.000 0.290 799 D C -0.509 175.342 176.300 -0.748 0.000 1.280 799 D CA 0.712 54.370 54.000 -0.570 0.000 1.058 799 D CB 0.302 40.995 40.800 -0.178 0.000 1.241 799 D HN 0.648 nan 8.370 nan 0.000 0.421 800 H N -2.627 115.758 119.070 -1.142 0.000 2.990 800 H HA 0.316 4.876 4.556 0.007 0.000 0.336 800 H C -1.464 173.482 175.328 -0.637 0.000 1.306 800 H CA -1.052 54.601 56.048 -0.658 0.000 1.118 800 H CB -0.209 29.343 29.762 -0.350 0.000 1.856 800 H HN 0.056 nan 8.280 nan 0.000 0.538 801 W N 0.843 122.157 121.300 0.024 0.000 2.438 801 W HA 0.503 5.168 4.660 0.008 0.000 0.324 801 W C 0.317 176.905 176.519 0.114 0.000 1.119 801 W CA -0.644 56.741 57.345 0.066 0.000 1.221 801 W CB 1.862 31.418 29.460 0.160 0.000 1.253 801 W HN 0.513 nan 8.180 nan 0.000 0.555 802 S N 1.794 117.672 115.700 0.297 0.000 2.552 802 S HA 0.427 4.901 4.470 0.007 0.000 0.314 802 S C -0.427 174.302 174.600 0.216 0.000 1.099 802 S CA -0.573 57.761 58.200 0.223 0.000 1.070 802 S CB 0.478 63.758 63.200 0.134 0.000 0.998 802 S HN 0.325 nan 8.310 nan 0.000 0.474 803 T N 6.247 120.905 114.554 0.173 0.000 2.779 803 T HA 0.276 4.631 4.350 0.007 0.000 0.296 803 T C 0.241 175.010 174.700 0.115 0.000 0.938 803 T CA -0.156 62.032 62.100 0.146 0.000 1.119 803 T CB -0.057 68.875 68.868 0.107 0.000 0.891 803 T HN 0.545 nan 8.240 nan 0.000 0.526 804 L N 2.919 124.214 121.223 0.120 0.000 2.416 804 L HA 0.258 4.603 4.340 0.007 0.000 0.272 804 L C 1.848 178.753 176.870 0.057 0.000 1.161 804 L CA -0.359 54.533 54.840 0.087 0.000 0.845 804 L CB 0.396 42.505 42.059 0.082 0.000 1.119 804 L HN 0.840 nan 8.230 nan 0.000 0.464 805 G N 1.676 110.502 108.800 0.044 0.000 2.403 805 G HA2 -0.143 3.821 3.960 0.007 0.000 0.216 805 G HA3 -0.143 3.821 3.960 0.007 0.000 0.216 805 G C 0.830 175.742 174.900 0.020 0.000 1.154 805 G CA 0.377 45.495 45.100 0.030 0.000 0.784 805 G HN 0.683 nan 8.290 nan 0.000 0.538 806 S N 0.401 116.111 115.700 0.017 0.000 2.569 806 S HA 0.169 4.643 4.470 0.007 0.000 0.274 806 S C -0.314 174.285 174.600 -0.002 0.000 1.353 806 S CA -0.351 57.852 58.200 0.005 0.000 1.023 806 S CB 1.358 64.557 63.200 -0.002 0.000 0.876 806 S HN 0.197 nan 8.310 nan 0.000 0.540 807 D N 1.679 122.075 120.400 -0.007 0.000 2.316 807 D HA 0.289 4.934 4.640 0.007 0.000 0.245 807 D C -1.151 175.135 176.300 -0.024 0.000 1.171 807 D CA -2.461 51.534 54.000 -0.008 0.000 0.856 807 D CB 1.078 41.877 40.800 -0.002 0.000 1.090 807 D HN 0.210 nan 8.370 nan 0.000 0.476 808 P HA -0.131 nan 4.420 nan 0.000 0.221 808 P C 1.310 178.576 177.300 -0.057 0.000 1.145 808 P CA 0.805 63.860 63.100 -0.073 0.000 0.795 808 P CB 0.296 31.966 31.700 -0.050 0.000 0.775 809 L N -0.954 120.261 121.223 -0.013 0.000 2.554 809 L HA 0.102 4.447 4.340 0.007 0.000 0.226 809 L C 0.943 177.807 176.870 -0.010 0.000 1.137 809 L CA 0.295 55.136 54.840 0.002 0.000 0.863 809 L CB -0.649 41.429 42.059 0.032 0.000 0.985 809 L HN -0.073 nan 8.230 nan 0.000 0.451 810 D N 0.464 120.852 120.400 -0.020 0.000 2.396 810 D HA 0.172 4.816 4.640 0.007 0.000 0.225 810 D C -1.733 174.547 176.300 -0.033 0.000 1.121 810 D CA -2.330 51.659 54.000 -0.020 0.000 0.853 810 D CB 1.672 42.464 40.800 -0.014 0.000 1.043 810 D HN -0.185 nan 8.370 nan 0.000 0.500 811 P HA -0.120 nan 4.420 nan 0.000 0.219 811 P C 1.132 178.412 177.300 -0.033 0.000 1.146 811 P CA 1.335 64.413 63.100 -0.036 0.000 0.808 811 P CB 0.157 31.842 31.700 -0.025 0.000 0.779 812 T N -4.494 110.045 114.554 -0.024 0.000 3.009 812 T HA 0.033 4.387 4.350 0.007 0.000 0.258 812 T C 1.106 175.794 174.700 -0.019 0.000 1.063 812 T CA 0.208 62.297 62.100 -0.019 0.000 1.139 812 T CB -1.024 67.838 68.868 -0.011 0.000 0.890 812 T HN 0.154 nan 8.240 nan 0.000 0.471 813 S N 1.439 117.126 115.700 -0.022 0.000 2.569 813 S HA 0.197 4.671 4.470 0.007 0.000 0.274 813 S C 1.215 175.798 174.600 -0.029 0.000 1.353 813 S CA -0.762 57.426 58.200 -0.020 0.000 1.023 813 S CB 0.659 63.847 63.200 -0.021 0.000 0.876 813 S HN 0.118 nan 8.310 nan 0.000 0.540 814 K N 1.372 121.762 120.400 -0.017 0.000 2.103 814 K HA -0.092 4.232 4.320 0.007 0.000 0.207 814 K C 2.358 178.930 176.600 -0.047 0.000 1.048 814 K CA 1.672 57.949 56.287 -0.016 0.000 0.930 814 K CB -1.319 31.187 32.500 0.009 0.000 0.716 814 K HN 0.794 nan 8.250 nan 0.000 0.444 815 A N 0.508 123.292 122.820 -0.060 0.000 1.872 815 A HA -0.004 4.320 4.320 0.007 0.000 0.214 815 A C 2.468 179.941 177.584 -0.186 0.000 1.187 815 A CA 1.800 53.765 52.037 -0.119 0.000 0.614 815 A CB -0.941 18.010 19.000 -0.082 0.000 0.826 815 A HN 0.359 nan 8.150 nan 0.000 0.442 816 G N -0.363 108.360 108.800 -0.129 0.000 2.432 816 G HA2 -0.247 3.717 3.960 0.007 0.000 0.219 816 G HA3 -0.247 3.717 3.960 0.007 0.000 0.219 816 G C 1.434 176.254 174.900 -0.133 0.000 1.135 816 G CA 1.130 46.151 45.100 -0.133 0.000 0.767 816 G HN 0.686 nan 8.290 nan 0.000 0.550 817 E N 0.236 120.375 120.200 -0.102 0.000 2.058 817 E HA -0.137 4.217 4.350 0.007 0.000 0.194 817 E C 2.444 178.977 176.600 -0.110 0.000 0.997 817 E CA 0.948 57.300 56.400 -0.080 0.000 0.801 817 E CB -0.222 29.450 29.700 -0.047 0.000 0.746 817 E HN 0.526 nan 8.360 nan 0.000 0.450 818 I N 0.556 121.025 120.570 -0.168 0.000 2.179 818 I HA -0.258 3.916 4.170 0.007 0.000 0.242 818 I C 2.461 178.391 176.117 -0.311 0.000 1.088 818 I CA 0.719 61.882 61.300 -0.230 0.000 1.357 818 I CB -0.311 37.461 38.000 -0.381 0.000 1.051 818 I HN 0.077 nan 8.210 nan 0.000 0.409 819 V N 0.953 120.591 119.914 -0.459 0.000 2.233 819 V HA -0.303 3.821 4.120 0.007 0.000 0.247 819 V C 2.463 178.447 176.094 -0.183 0.000 1.050 819 V CA 2.013 63.995 62.300 -0.530 0.000 1.010 819 V CB -0.682 30.850 31.823 -0.485 0.000 0.637 819 V HN 0.366 nan 8.190 nan 0.000 0.444 820 L N 0.993 122.142 121.223 -0.123 0.000 1.990 820 L HA -0.160 4.184 4.340 0.007 0.000 0.213 820 L C 2.463 179.323 176.870 -0.016 0.000 1.072 820 L CA 2.571 57.383 54.840 -0.047 0.000 0.755 820 L CB -1.167 40.866 42.059 -0.044 0.000 0.889 820 L HN 0.242 nan 8.230 nan 0.000 0.432 821 A N -0.517 122.285 122.820 -0.029 0.000 1.917 821 A HA -0.172 4.152 4.320 0.007 0.000 0.219 821 A C 2.454 180.049 177.584 0.018 0.000 1.182 821 A CA 2.307 54.339 52.037 -0.008 0.000 0.633 821 A CB -1.279 17.714 19.000 -0.011 0.000 0.819 821 A HN 0.650 nan 8.150 nan 0.000 0.448 822 A N -0.446 122.414 122.820 0.066 0.000 1.855 822 A HA -0.142 4.182 4.320 0.007 0.000 0.215 822 A C 2.247 179.968 177.584 0.229 0.000 1.191 822 A CA 1.461 53.607 52.037 0.182 0.000 0.613 822 A CB -0.518 18.760 19.000 0.463 0.000 0.829 822 A HN 0.534 nan 8.150 nan 0.000 0.442 823 R N -0.137 120.497 120.500 0.224 0.000 2.096 823 R HA -0.173 4.171 4.340 0.007 0.000 0.240 823 R C 2.289 178.668 176.300 0.131 0.000 1.139 823 R CA 1.909 58.131 56.100 0.204 0.000 0.952 823 R CB -0.377 29.995 30.300 0.120 0.000 0.854 823 R HN 0.524 nan 8.270 nan 0.000 0.436 824 K N 0.209 120.647 120.400 0.063 0.000 2.032 824 K HA -0.206 4.118 4.320 0.007 0.000 0.209 824 K C 2.179 178.783 176.600 0.007 0.000 1.048 824 K CA 1.508 57.813 56.287 0.030 0.000 0.927 824 K CB -0.242 32.263 32.500 0.009 0.000 0.712 824 K HN 0.111 nan 8.250 nan 0.000 0.441 825 R N 0.513 120.988 120.500 -0.042 0.000 2.159 825 R HA -0.164 4.180 4.340 0.007 0.000 0.237 825 R C 1.571 177.756 176.300 -0.191 0.000 1.131 825 R CA 1.457 57.474 56.100 -0.140 0.000 0.982 825 R CB -0.056 30.113 30.300 -0.219 0.000 0.868 825 R HN 0.365 nan 8.270 nan 0.000 0.453 826 H N -1.408 117.690 119.070 0.047 0.000 2.563 826 H HA 0.182 4.742 4.556 0.007 0.000 0.264 826 H C 0.990 176.334 175.328 0.027 0.000 0.957 826 H CA 0.858 56.930 56.048 0.040 0.000 1.173 826 H CB 1.023 30.815 29.762 0.050 0.000 1.420 826 H HN 0.518 nan 8.280 nan 0.000 0.551 827 G N 1.434 110.302 108.800 0.112 0.000 2.160 827 G HA2 -0.278 3.686 3.960 0.007 0.000 0.244 827 G HA3 -0.278 3.686 3.960 0.007 0.000 0.244 827 G C 0.294 175.236 174.900 0.070 0.000 1.022 827 G CA 0.394 45.536 45.100 0.070 0.000 0.741 827 G HN 0.217 nan 8.290 nan 0.000 0.508 828 M N -0.631 119.024 119.600 0.092 0.000 2.267 828 M HA 0.392 4.876 4.480 0.007 0.000 0.303 828 M C 0.884 177.212 176.300 0.047 0.000 1.164 828 M CA -0.564 54.777 55.300 0.068 0.000 1.060 828 M CB 0.687 33.338 32.600 0.084 0.000 1.455 828 M HN 0.096 nan 8.290 nan 0.000 0.483 829 K N 1.266 121.685 120.400 0.031 0.000 2.436 829 K HA -0.027 4.297 4.320 0.007 0.000 0.282 829 K C 0.478 177.092 176.600 0.023 0.000 1.044 829 K CA 0.197 56.494 56.287 0.018 0.000 1.028 829 K CB 0.517 33.019 32.500 0.004 0.000 0.919 829 K HN 0.598 nan 8.250 nan 0.000 0.474 830 E N 2.504 122.714 120.200 0.016 0.000 2.147 830 E HA -0.232 4.122 4.350 0.007 0.000 0.199 830 E C -0.309 176.296 176.600 0.009 0.000 1.005 830 E CA 1.440 57.848 56.400 0.014 0.000 0.810 830 E CB 0.044 29.747 29.700 0.004 0.000 0.736 830 E HN 0.589 nan 8.360 nan 0.000 0.460 831 E N 0.458 120.661 120.200 0.005 0.000 2.331 831 E HA 0.149 4.504 4.350 0.007 0.000 0.272 831 E C -0.789 175.819 176.600 0.014 0.000 1.036 831 E CA -0.263 56.138 56.400 0.002 0.000 0.864 831 E CB 1.433 31.129 29.700 -0.006 0.000 1.035 831 E HN -0.145 nan 8.360 nan 0.000 0.408 832 V N 4.787 124.713 119.914 0.021 0.000 2.572 832 V HA 0.138 4.262 4.120 0.007 0.000 0.291 832 V C -1.908 174.217 176.094 0.051 0.000 1.039 832 V CA -1.489 60.839 62.300 0.046 0.000 1.055 832 V CB 0.216 32.073 31.823 0.056 0.000 0.969 832 V HN 0.645 nan 8.190 nan 0.000 0.482 833 P HA 0.186 nan 4.420 nan 0.000 0.266 833 P C 0.315 177.669 177.300 0.090 0.000 1.195 833 P CA 0.261 63.388 63.100 0.046 0.000 0.768 833 P CB 0.425 32.178 31.700 0.087 0.000 0.838 834 G N 2.413 111.212 108.800 -0.002 0.000 2.507 834 G HA2 0.117 4.081 3.960 0.007 0.000 0.271 834 G HA3 0.117 4.081 3.960 0.007 0.000 0.271 834 G C 0.913 175.840 174.900 0.046 0.000 1.189 834 G CA -0.717 44.377 45.100 -0.009 0.000 0.859 834 G HN 0.746 nan 8.290 nan 0.000 0.542 835 W N 0.832 122.216 121.300 0.141 0.000 2.387 835 W HA -0.152 4.512 4.660 0.007 0.000 0.272 835 W C 1.268 177.900 176.519 0.188 0.000 1.224 835 W CA 0.746 58.223 57.345 0.220 0.000 1.210 835 W CB -0.530 29.025 29.460 0.158 0.000 1.125 835 W HN 0.533 nan 8.180 nan 0.000 0.572 836 Q N 1.165 120.572 119.800 -0.654 0.000 2.135 836 Q HA -0.173 4.171 4.340 0.007 0.000 0.204 836 Q C 2.166 178.048 176.000 -0.196 0.000 0.981 836 Q CA 2.331 57.775 55.803 -0.599 0.000 0.856 836 Q CB -0.535 27.772 28.738 -0.719 0.000 0.902 836 Q HN 0.424 nan 8.270 nan 0.000 0.425 837 E N -0.942 119.120 120.200 -0.230 0.000 2.110 837 E HA -0.186 4.169 4.350 0.007 0.000 0.193 837 E C 1.213 177.626 176.600 -0.313 0.000 0.988 837 E CA 1.130 57.326 56.400 -0.340 0.000 0.804 837 E CB 0.019 29.376 29.700 -0.573 0.000 0.745 837 E HN 0.543 nan 8.360 nan 0.000 0.458 838 Y N -1.825 118.563 120.300 0.146 0.000 2.509 838 Y HA 0.042 4.597 4.550 0.007 0.000 0.270 838 Y C 0.881 176.900 175.900 0.199 0.000 1.103 838 Y CA -0.453 57.757 58.100 0.183 0.000 1.278 838 Y CB 0.075 38.692 38.460 0.261 0.000 1.087 838 Y HN -0.019 nan 8.280 nan 0.000 0.542 839 Y N 2.345 122.800 120.300 0.259 0.000 2.511 839 Y HA -0.010 4.544 4.550 0.007 0.000 0.347 839 Y C 0.586 176.544 175.900 0.096 0.000 1.257 839 Y CA -0.833 57.403 58.100 0.226 0.000 1.469 839 Y CB 0.275 38.946 38.460 0.352 0.000 1.353 839 Y HN 0.003 nan 8.280 nan 0.000 0.617 840 D N 3.581 123.818 120.400 -0.272 0.000 2.487 840 D HA -0.039 4.605 4.640 0.007 0.000 0.243 840 D C -0.572 175.762 176.300 0.057 0.000 1.154 840 D CA 0.127 54.039 54.000 -0.146 0.000 0.876 840 D CB 0.566 41.196 40.800 -0.284 0.000 1.161 840 D HN 0.241 nan 8.370 nan 0.000 0.478 841 K N 4.636 125.053 120.400 0.028 0.000 2.034 841 K HA 0.130 4.454 4.320 0.007 0.000 0.225 841 K C -0.256 176.368 176.600 0.040 0.000 1.190 841 K CA 0.122 56.429 56.287 0.034 0.000 1.152 841 K CB -0.610 31.887 32.500 -0.005 0.000 1.300 841 K HN 0.474 nan 8.250 nan 0.000 0.268 842 L N 0.000 121.278 121.223 0.092 0.000 2.949 842 L HA 0.000 4.344 4.340 0.007 0.000 0.249 842 L CA 0.000 54.890 54.840 0.084 0.000 0.813 842 L CB 0.000 42.131 42.059 0.120 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502