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 1zm4_1_C DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.813 176.094 -0.469 0.000 1.182 2 V CA 0.000 62.109 62.300 -0.318 0.000 1.235 2 V CB 0.000 31.532 31.823 -0.486 0.000 1.184 3 A N 4.195 126.727 122.820 -0.479 0.000 2.303 3 A HA 0.976 5.296 4.320 0.001 0.000 0.317 3 A C -1.286 175.973 177.584 -0.542 0.000 1.149 3 A CA -0.228 51.597 52.037 -0.355 0.000 0.822 3 A CB 0.764 19.661 19.000 -0.172 0.000 1.131 3 A HN 0.940 nan 8.150 nan 0.000 0.493 4 F N -0.497 119.430 119.950 -0.039 0.000 2.599 4 F HA 0.558 5.086 4.527 0.001 0.000 0.311 4 F C 0.835 176.613 175.800 -0.037 0.000 1.076 4 F CA -0.319 57.645 58.000 -0.060 0.000 0.937 4 F CB 2.254 41.205 39.000 -0.082 0.000 1.282 4 F HN 0.699 nan 8.300 nan 0.000 0.460 5 T N -1.655 113.019 114.554 0.200 0.000 2.918 5 T HA 0.413 4.764 4.350 0.001 0.000 0.283 5 T C 0.952 175.687 174.700 0.058 0.000 1.001 5 T CA -0.641 61.512 62.100 0.088 0.000 1.041 5 T CB 1.292 70.191 68.868 0.052 0.000 1.028 5 T HN 0.313 nan 8.240 nan 0.000 0.511 6 V N 1.507 121.440 119.914 0.033 0.000 2.453 6 V HA -0.175 3.946 4.120 0.001 0.000 0.252 6 V C 2.446 178.531 176.094 -0.014 0.000 1.068 6 V CA 2.125 64.433 62.300 0.013 0.000 1.070 6 V CB -0.789 31.039 31.823 0.008 0.000 0.664 6 V HN 0.891 nan 8.190 nan 0.000 0.461 7 D N -0.403 119.987 120.400 -0.017 0.000 2.097 7 D HA -0.187 4.454 4.640 0.001 0.000 0.195 7 D C 2.293 178.549 176.300 -0.073 0.000 0.989 7 D CA 1.358 55.336 54.000 -0.037 0.000 0.827 7 D CB -0.141 40.643 40.800 -0.027 0.000 0.966 7 D HN 0.566 nan 8.370 nan 0.000 0.456 8 Q N -0.154 119.594 119.800 -0.087 0.000 2.020 8 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 8 Q C 2.345 178.181 176.000 -0.274 0.000 0.982 8 Q CA 0.995 56.673 55.803 -0.207 0.000 0.838 8 Q CB -0.092 28.502 28.738 -0.239 0.000 0.899 8 Q HN 0.218 nan 8.270 nan 0.000 0.423 9 M N 0.370 119.849 119.600 -0.202 0.000 2.073 9 M HA -0.197 4.284 4.480 0.001 0.000 0.258 9 M C 2.232 178.465 176.300 -0.112 0.000 1.070 9 M CA 1.658 56.865 55.300 -0.154 0.000 1.103 9 M CB -0.986 31.588 32.600 -0.043 0.000 1.321 9 M HN 0.085 nan 8.290 nan 0.000 0.405 10 R N 0.274 120.727 120.500 -0.079 0.000 2.094 10 R HA -0.123 4.218 4.340 0.001 0.000 0.239 10 R C 2.456 178.709 176.300 -0.079 0.000 1.137 10 R CA 2.464 58.525 56.100 -0.064 0.000 0.943 10 R CB -1.143 29.129 30.300 -0.048 0.000 0.850 10 R HN 0.361 nan 8.270 nan 0.000 0.433 11 S N -0.489 115.154 115.700 -0.095 0.000 2.365 11 S HA -0.148 4.323 4.470 0.001 0.000 0.225 11 S C 1.784 176.318 174.600 -0.111 0.000 1.039 11 S CA 1.453 59.594 58.200 -0.098 0.000 1.033 11 S CB -0.493 62.642 63.200 -0.109 0.000 0.887 11 S HN 0.359 nan 8.310 nan 0.000 0.447 12 L N 1.513 122.647 121.223 -0.149 0.000 2.046 12 L HA 0.133 4.473 4.340 0.001 0.000 0.208 12 L C 2.221 179.038 176.870 -0.090 0.000 1.077 12 L CA 1.901 56.655 54.840 -0.144 0.000 0.747 12 L CB -0.691 41.241 42.059 -0.212 0.000 0.896 12 L HN 0.399 nan 8.230 nan 0.000 0.432 13 M N -1.076 118.477 119.600 -0.078 0.000 2.632 13 M HA -0.136 4.344 4.480 0.001 0.000 0.256 13 M C 1.434 177.703 176.300 -0.052 0.000 1.080 13 M CA 0.951 56.218 55.300 -0.055 0.000 1.084 13 M CB -0.394 32.175 32.600 -0.050 0.000 1.439 13 M HN 0.302 nan 8.290 nan 0.000 0.509 14 D N 0.891 121.256 120.400 -0.058 0.000 2.271 14 D HA -0.016 4.624 4.640 0.001 0.000 0.206 14 D C 0.387 176.660 176.300 -0.045 0.000 0.967 14 D CA 0.741 54.711 54.000 -0.050 0.000 0.867 14 D CB 0.397 41.166 40.800 -0.051 0.000 0.960 14 D HN 0.272 nan 8.370 nan 0.000 0.509 15 K N 1.226 121.595 120.400 -0.052 0.000 2.518 15 K HA 0.148 4.468 4.320 0.001 0.000 0.244 15 K C 1.326 177.911 176.600 -0.026 0.000 1.232 15 K CA -0.354 55.904 56.287 -0.047 0.000 1.189 15 K CB 1.304 33.759 32.500 -0.076 0.000 1.737 15 K HN -0.088 nan 8.250 nan 0.000 0.333 16 V N 0.565 120.468 119.914 -0.019 0.000 2.380 16 V HA -0.312 3.808 4.120 0.001 0.000 0.251 16 V C 2.490 178.599 176.094 0.023 0.000 1.063 16 V CA 2.487 64.783 62.300 -0.006 0.000 1.055 16 V CB -1.081 30.730 31.823 -0.019 0.000 0.657 16 V HN 0.724 nan 8.190 nan 0.000 0.455 17 T N -1.768 112.802 114.554 0.026 0.000 2.996 17 T HA -0.171 4.179 4.350 0.001 0.000 0.271 17 T C 1.007 175.787 174.700 0.135 0.000 1.126 17 T CA 1.787 63.922 62.100 0.059 0.000 1.103 17 T CB -0.523 68.371 68.868 0.044 0.000 0.870 17 T HN 0.519 nan 8.240 nan 0.000 0.528 18 N N 0.175 118.948 118.700 0.122 0.000 2.416 18 N HA 0.397 5.137 4.740 0.001 0.000 0.267 18 N C -1.268 174.409 175.510 0.280 0.000 1.294 18 N CA -0.224 52.980 53.050 0.256 0.000 0.891 18 N CB 1.344 39.736 38.487 -0.157 0.000 1.238 18 N HN 0.245 nan 8.380 nan 0.000 0.508 19 V N 0.721 120.736 119.914 0.168 0.000 2.715 19 V HA 0.554 4.675 4.120 0.001 0.000 0.310 19 V C -0.332 175.811 176.094 0.082 0.000 1.054 19 V CA -0.820 61.546 62.300 0.111 0.000 0.928 19 V CB 2.219 34.067 31.823 0.041 0.000 1.007 19 V HN 0.074 nan 8.190 nan 0.000 0.437 20 R N 2.998 123.536 120.500 0.063 0.000 2.473 20 R HA 0.422 4.762 4.340 0.001 0.000 0.303 20 R C -1.245 175.071 176.300 0.026 0.000 1.002 20 R CA -0.580 55.538 56.100 0.029 0.000 0.884 20 R CB 1.425 31.728 30.300 0.006 0.000 1.173 20 R HN 0.605 nan 8.270 nan 0.000 0.464 21 N N 4.418 123.128 118.700 0.017 0.000 2.500 21 N HA 0.298 5.039 4.740 0.001 0.000 0.236 21 N C -0.123 175.405 175.510 0.030 0.000 1.022 21 N CA -0.378 52.684 53.050 0.020 0.000 0.935 21 N CB 1.165 39.650 38.487 -0.003 0.000 1.147 21 N HN 0.434 nan 8.380 nan 0.000 0.512 22 M N -0.956 118.664 119.600 0.034 0.000 2.667 22 M HA 0.668 5.149 4.480 0.001 0.000 0.286 22 M C 0.010 176.329 176.300 0.031 0.000 1.270 22 M CA -1.044 54.273 55.300 0.028 0.000 0.826 22 M CB 1.499 34.105 32.600 0.010 0.000 1.743 22 M HN 0.109 nan 8.290 nan 0.000 0.460 23 S N -0.085 115.627 115.700 0.019 0.000 2.810 23 S HA 0.956 5.426 4.470 0.001 0.000 0.315 23 S C -1.481 173.115 174.600 -0.008 0.000 1.138 23 S CA -0.665 57.543 58.200 0.013 0.000 0.889 23 S CB 1.867 65.080 63.200 0.023 0.000 1.236 23 S HN 0.864 nan 8.310 nan 0.000 0.548 24 V N 2.275 122.180 119.914 -0.016 0.000 2.357 24 V HA 0.447 4.567 4.120 0.001 0.000 0.281 24 V C -1.022 175.054 176.094 -0.030 0.000 1.015 24 V CA -0.458 61.825 62.300 -0.028 0.000 0.827 24 V CB 0.727 32.532 31.823 -0.030 0.000 1.018 24 V HN 0.743 nan 8.190 nan 0.000 0.432 25 I N 4.926 125.475 120.570 -0.035 0.000 2.329 25 I HA 0.588 4.759 4.170 0.001 0.000 0.295 25 I C 0.613 176.715 176.117 -0.026 0.000 1.109 25 I CA 0.814 62.093 61.300 -0.036 0.000 1.297 25 I CB 0.573 38.544 38.000 -0.048 0.000 1.433 25 I HN 0.692 nan 8.210 nan 0.000 0.509 26 A N 4.497 127.306 122.820 -0.018 0.000 2.547 26 A HA 0.510 4.831 4.320 0.001 0.000 0.297 26 A C -0.960 176.623 177.584 -0.001 0.000 1.056 26 A CA -0.713 51.333 52.037 0.015 0.000 0.688 26 A CB 0.601 19.613 19.000 0.019 0.000 1.282 26 A HN 0.650 nan 8.150 nan 0.000 0.400 27 H N 1.014 120.029 119.070 -0.092 0.000 2.790 27 H HA 0.276 4.833 4.556 0.001 0.000 0.358 27 H C 1.557 176.801 175.328 -0.139 0.000 1.103 27 H CA 1.062 56.992 56.048 -0.195 0.000 1.426 27 H CB 1.163 30.653 29.762 -0.453 0.000 1.424 27 H HN 0.708 nan 8.280 nan 0.000 0.599 28 V N 0.767 120.426 119.914 -0.424 0.000 2.392 28 V HA -0.205 3.915 4.120 0.001 0.000 0.249 28 V C 1.281 177.379 176.094 0.006 0.000 1.059 28 V CA 2.002 64.202 62.300 -0.167 0.000 1.051 28 V CB -0.259 31.454 31.823 -0.184 0.000 0.658 28 V HN 0.750 nan 8.190 nan 0.000 0.455 29 D N -0.327 120.167 120.400 0.156 0.000 2.371 29 D HA -0.000 4.640 4.640 0.001 0.000 0.234 29 D C 0.858 177.311 176.300 0.255 0.000 1.049 29 D CA 0.794 54.910 54.000 0.193 0.000 0.907 29 D CB -0.458 40.467 40.800 0.209 0.000 0.891 29 D HN 0.734 nan 8.370 nan 0.000 0.531 30 H N -0.925 118.210 119.070 0.109 0.000 2.502 30 H HA 0.289 4.845 4.556 0.001 0.000 0.268 30 H C 1.097 176.424 175.328 -0.002 0.000 1.177 30 H CA -0.487 55.583 56.048 0.037 0.000 0.961 30 H CB 0.604 30.386 29.762 0.032 0.000 1.737 30 H HN 0.035 nan 8.280 nan 0.000 0.569 31 G N 2.347 111.214 108.800 0.111 0.000 2.296 31 G HA2 -0.433 3.528 3.960 0.001 0.000 0.282 31 G HA3 -0.433 3.528 3.960 0.001 0.000 0.282 31 G C 1.338 176.249 174.900 0.018 0.000 1.014 31 G CA 1.159 46.283 45.100 0.041 0.000 0.812 31 G HN 0.566 nan 8.290 nan 0.000 0.508 32 K N 0.328 120.743 120.400 0.026 0.000 2.074 32 K HA -0.207 4.113 4.320 0.001 0.000 0.209 32 K C 2.726 179.317 176.600 -0.015 0.000 1.048 32 K CA 2.254 58.541 56.287 -0.002 0.000 0.926 32 K CB -0.345 32.148 32.500 -0.013 0.000 0.713 32 K HN 0.572 nan 8.250 nan 0.000 0.444 33 S N 0.224 115.917 115.700 -0.011 0.000 2.355 33 S HA -0.119 4.351 4.470 0.001 0.000 0.222 33 S C 2.054 176.648 174.600 -0.010 0.000 1.031 33 S CA 1.736 59.927 58.200 -0.014 0.000 0.993 33 S CB -0.836 62.357 63.200 -0.011 0.000 0.859 33 S HN 0.376 nan 8.310 nan 0.000 0.453 34 T N 3.538 118.090 114.554 -0.003 0.000 2.652 34 T HA 0.017 4.368 4.350 0.001 0.000 0.267 34 T C 1.814 176.508 174.700 -0.011 0.000 1.039 34 T CA 1.431 63.530 62.100 -0.001 0.000 1.153 34 T CB -0.695 68.175 68.868 0.003 0.000 0.863 34 T HN 0.234 nan 8.240 nan 0.000 0.428 35 L N 1.177 122.385 121.223 -0.025 0.000 1.989 35 L HA -0.173 4.168 4.340 0.001 0.000 0.211 35 L C 3.113 179.967 176.870 -0.027 0.000 1.071 35 L CA 1.845 56.661 54.840 -0.039 0.000 0.749 35 L CB -1.509 40.515 42.059 -0.058 0.000 0.890 35 L HN 0.466 nan 8.230 nan 0.000 0.431 36 T N -2.833 111.707 114.554 -0.025 0.000 2.635 36 T HA -0.244 4.106 4.350 0.001 0.000 0.267 36 T C 1.502 176.195 174.700 -0.012 0.000 1.040 36 T CA 1.537 63.624 62.100 -0.020 0.000 1.156 36 T CB -0.658 68.195 68.868 -0.024 0.000 0.863 36 T HN 0.284 nan 8.240 nan 0.000 0.430 37 D N 1.216 121.610 120.400 -0.010 0.000 2.133 37 D HA -0.158 4.483 4.640 0.001 0.000 0.192 37 D C 2.390 178.694 176.300 0.006 0.000 1.001 37 D CA 1.678 55.677 54.000 -0.002 0.000 0.844 37 D CB -0.701 40.100 40.800 0.002 0.000 0.944 37 D HN 0.458 nan 8.370 nan 0.000 0.447 38 S N -0.090 115.614 115.700 0.007 0.000 2.380 38 S HA -0.191 4.280 4.470 0.001 0.000 0.229 38 S C 2.080 176.690 174.600 0.016 0.000 1.043 38 S CA 0.991 59.200 58.200 0.015 0.000 1.038 38 S CB -0.201 63.004 63.200 0.009 0.000 0.872 38 S HN 0.089 nan 8.310 nan 0.000 0.456 39 L N 0.871 122.099 121.223 0.008 0.000 2.093 39 L HA 0.000 4.341 4.340 0.001 0.000 0.208 39 L C 2.457 179.342 176.870 0.024 0.000 1.085 39 L CA 0.987 55.835 54.840 0.014 0.000 0.755 39 L CB -0.740 41.322 42.059 0.005 0.000 0.904 39 L HN 0.183 nan 8.230 nan 0.000 0.435 40 V N -0.785 119.139 119.914 0.017 0.000 2.307 40 V HA -0.311 3.809 4.120 0.001 0.000 0.245 40 V C 2.419 178.529 176.094 0.026 0.000 1.045 40 V CA 1.837 64.149 62.300 0.021 0.000 1.024 40 V CB -0.636 31.191 31.823 0.006 0.000 0.651 40 V HN 0.542 nan 8.190 nan 0.000 0.449 41 Q N -0.441 119.373 119.800 0.023 0.000 2.437 41 Q HA -0.227 4.114 4.340 0.001 0.000 0.210 41 Q C 2.173 178.193 176.000 0.033 0.000 0.972 41 Q CA 1.326 57.146 55.803 0.027 0.000 0.903 41 Q CB 0.155 28.910 28.738 0.027 0.000 0.967 41 Q HN 0.527 nan 8.270 nan 0.000 0.486 42 R N -0.795 119.726 120.500 0.036 0.000 2.098 42 R HA 0.213 4.554 4.340 0.001 0.000 0.203 42 R C 0.725 177.058 176.300 0.055 0.000 1.166 42 R CA 1.406 57.532 56.100 0.042 0.000 1.090 42 R CB -0.197 30.126 30.300 0.038 0.000 0.992 42 R HN 0.044 nan 8.270 nan 0.000 0.477 43 A N 0.126 122.983 122.820 0.062 0.000 2.606 43 A HA 0.495 4.815 4.320 0.001 0.000 0.290 43 A C 0.442 178.098 177.584 0.119 0.000 1.174 43 A CA -0.101 51.996 52.037 0.099 0.000 0.958 43 A CB -0.050 19.001 19.000 0.085 0.000 1.194 43 A HN 0.358 nan 8.150 nan 0.000 0.526 44 G N 0.586 109.435 108.800 0.081 0.000 2.380 44 G HA2 0.430 4.391 3.960 0.001 0.000 0.242 44 G HA3 0.430 4.391 3.960 0.001 0.000 0.242 44 G C -0.056 174.899 174.900 0.091 0.000 1.298 44 G CA -0.006 45.140 45.100 0.077 0.000 0.878 44 G HN 0.174 nan 8.290 nan 0.000 0.542 45 I N 2.216 122.857 120.570 0.118 0.000 2.353 45 I HA 0.378 4.549 4.170 0.001 0.000 0.293 45 I C 0.087 176.264 176.117 0.099 0.000 0.992 45 I CA -0.694 60.689 61.300 0.139 0.000 1.268 45 I CB 1.075 39.216 38.000 0.235 0.000 1.387 45 I HN 0.228 nan 8.210 nan 0.000 0.478 46 I N 4.752 125.359 120.570 0.063 0.000 3.170 46 I HA 0.453 4.624 4.170 0.001 0.000 0.312 46 I C 0.125 176.296 176.117 0.090 0.000 1.085 46 I CA -0.335 61.019 61.300 0.090 0.000 0.999 46 I CB 2.163 40.201 38.000 0.063 0.000 1.233 46 I HN 0.662 nan 8.210 nan 0.000 0.467 47 S N 3.013 118.781 115.700 0.113 0.000 2.565 47 S HA 0.879 5.350 4.470 0.001 0.000 0.290 47 S C 0.120 174.735 174.600 0.024 0.000 1.150 47 S CA -0.357 57.892 58.200 0.082 0.000 1.058 47 S CB 1.281 64.544 63.200 0.105 0.000 1.032 47 S HN 0.968 nan 8.310 nan 0.000 0.510 68 I N 3.380 123.970 120.570 0.033 0.000 2.304 68 I HA 0.341 4.511 4.170 0.001 0.000 0.291 68 I C 0.635 176.805 176.117 0.090 0.000 1.018 68 I CA -0.504 60.825 61.300 0.048 0.000 1.260 68 I CB 1.359 39.410 38.000 0.086 0.000 1.390 68 I HN 0.158 nan 8.210 nan 0.000 0.475 69 T N 5.209 119.798 114.554 0.058 0.000 2.928 69 T HA 0.809 5.160 4.350 0.001 0.000 0.284 69 T C -0.234 174.449 174.700 -0.029 0.000 1.008 69 T CA -0.689 61.469 62.100 0.097 0.000 1.057 69 T CB 2.086 71.017 68.868 0.105 0.000 1.018 69 T HN 0.536 nan 8.240 nan 0.000 0.493 70 I N -1.934 118.609 120.570 -0.046 0.000 3.042 70 I HA 0.613 4.784 4.170 0.001 0.000 0.310 70 I C -0.525 175.508 176.117 -0.140 0.000 1.117 70 I CA -1.661 59.566 61.300 -0.121 0.000 1.003 70 I CB 2.325 40.276 38.000 -0.081 0.000 1.228 70 I HN 0.629 nan 8.210 nan 0.000 0.443 71 K N 2.632 122.938 120.400 -0.156 0.000 2.349 71 K HA 0.145 4.466 4.320 0.001 0.000 0.289 71 K C 0.101 176.595 176.600 -0.176 0.000 1.064 71 K CA -0.018 56.176 56.287 -0.155 0.000 0.947 71 K CB 0.737 33.150 32.500 -0.144 0.000 1.007 71 K HN 0.735 nan 8.250 nan 0.000 0.478 72 S N 3.497 119.085 115.700 -0.186 0.000 2.670 72 S HA -0.033 4.437 4.470 0.001 0.000 0.308 72 S C 0.447 174.911 174.600 -0.228 0.000 1.232 72 S CA 0.131 58.209 58.200 -0.204 0.000 1.126 72 S CB 0.150 63.236 63.200 -0.191 0.000 0.897 72 S HN 0.725 nan 8.310 nan 0.000 0.508 73 T N 4.114 118.486 114.554 -0.304 0.000 2.985 73 T HA 0.547 4.897 4.350 0.001 0.000 0.254 73 T C 0.121 174.554 174.700 -0.446 0.000 1.021 73 T CA 0.447 62.268 62.100 -0.465 0.000 0.957 73 T CB 0.481 68.861 68.868 -0.813 0.000 1.047 73 T HN 0.829 nan 8.240 nan 0.000 0.511 74 A N 0.901 123.564 122.820 -0.262 0.000 2.605 74 A HA 0.746 5.067 4.320 0.001 0.000 0.294 74 A C -1.955 175.606 177.584 -0.038 0.000 1.062 74 A CA -0.727 51.256 52.037 -0.090 0.000 0.682 74 A CB 0.974 20.012 19.000 0.064 0.000 1.278 74 A HN 0.263 nan 8.150 nan 0.000 0.410 75 I N 1.330 121.900 120.570 -0.001 0.000 2.465 75 I HA 0.365 4.536 4.170 0.001 0.000 0.291 75 I C 0.154 176.302 176.117 0.051 0.000 1.014 75 I CA -0.516 60.789 61.300 0.008 0.000 1.093 75 I CB 2.316 40.312 38.000 -0.008 0.000 1.267 75 I HN 0.548 nan 8.210 nan 0.000 0.431 76 S N 6.245 121.988 115.700 0.071 0.000 2.523 76 S HA 0.588 5.058 4.470 0.001 0.000 0.275 76 S C -0.509 174.168 174.600 0.128 0.000 1.281 76 S CA -0.394 57.870 58.200 0.106 0.000 1.050 76 S CB 0.707 63.982 63.200 0.126 0.000 0.937 76 S HN 0.212 nan 8.310 nan 0.000 0.492 77 L N 3.474 124.784 121.223 0.145 0.000 2.410 77 L HA 0.495 4.835 4.340 0.001 0.000 0.270 77 L C -0.815 176.203 176.870 0.246 0.000 0.983 77 L CA -0.580 54.359 54.840 0.166 0.000 0.822 77 L CB 1.341 43.461 42.059 0.100 0.000 1.285 77 L HN 0.703 nan 8.230 nan 0.000 0.409 78 Y N 2.229 122.627 120.300 0.164 0.000 2.409 78 Y HA 0.786 5.337 4.550 0.001 0.000 0.339 78 Y C -0.407 175.594 175.900 0.167 0.000 1.033 78 Y CA -0.442 57.778 58.100 0.200 0.000 1.094 78 Y CB 1.999 40.677 38.460 0.363 0.000 1.210 78 Y HN 0.575 nan 8.280 nan 0.000 0.456 79 S N 4.469 119.764 115.700 -0.674 0.000 2.543 79 S HA 0.370 4.840 4.470 0.001 0.000 0.271 79 S C -1.818 172.445 174.600 -0.563 0.000 1.148 79 S CA -0.748 57.142 58.200 -0.516 0.000 0.914 79 S CB 1.181 64.302 63.200 -0.131 0.000 1.096 79 S HN 0.851 nan 8.310 nan 0.000 0.471 80 E N 3.543 123.508 120.200 -0.392 0.000 2.244 80 E HA 0.684 5.035 4.350 0.001 0.000 0.266 80 E C -1.087 175.519 176.600 0.011 0.000 0.914 80 E CA -0.661 55.649 56.400 -0.150 0.000 0.794 80 E CB 1.303 30.960 29.700 -0.070 0.000 1.210 80 E HN 0.663 nan 8.360 nan 0.000 0.414 81 M N 1.220 120.871 119.600 0.085 0.000 2.631 81 M HA 0.268 4.748 4.480 0.001 0.000 0.288 81 M C -0.246 176.095 176.300 0.068 0.000 1.260 81 M CA -1.075 54.277 55.300 0.086 0.000 0.842 81 M CB 1.975 34.655 32.600 0.133 0.000 1.743 81 M HN 0.567 nan 8.290 nan 0.000 0.461 82 S N -0.662 115.066 115.700 0.047 0.000 2.585 82 S HA 0.129 4.599 4.470 0.001 0.000 0.273 82 S C 0.203 174.827 174.600 0.041 0.000 1.339 82 S CA -0.179 58.043 58.200 0.036 0.000 1.028 82 S CB 0.355 63.569 63.200 0.024 0.000 0.906 82 S HN 0.695 nan 8.310 nan 0.000 0.528 83 D N 1.344 121.763 120.400 0.031 0.000 2.265 83 D HA -0.119 4.521 4.640 0.001 0.000 0.208 83 D C 1.383 177.701 176.300 0.030 0.000 0.977 83 D CA 1.498 55.516 54.000 0.030 0.000 0.871 83 D CB -0.251 40.561 40.800 0.019 0.000 0.925 83 D HN 0.804 nan 8.370 nan 0.000 0.485 84 E N 0.407 120.622 120.200 0.025 0.000 2.072 84 E HA -0.114 4.237 4.350 0.001 0.000 0.190 84 E C 1.436 178.048 176.600 0.020 0.000 0.982 84 E CA 0.969 57.381 56.400 0.020 0.000 0.803 84 E CB 0.058 29.767 29.700 0.016 0.000 0.755 84 E HN 0.300 nan 8.360 nan 0.000 0.453 85 D N 0.567 120.981 120.400 0.023 0.000 2.117 85 D HA -0.118 4.522 4.640 0.001 0.000 0.198 85 D C 2.052 178.362 176.300 0.017 0.000 0.982 85 D CA 0.982 54.989 54.000 0.012 0.000 0.828 85 D CB -0.144 40.664 40.800 0.012 0.000 0.967 85 D HN 0.041 nan 8.370 nan 0.000 0.464 86 V N 1.416 121.367 119.914 0.062 0.000 2.828 86 V HA -0.215 3.905 4.120 0.001 0.000 0.260 86 V C 2.203 178.329 176.094 0.054 0.000 1.101 86 V CA 1.372 63.732 62.300 0.099 0.000 1.123 86 V CB -0.542 31.359 31.823 0.131 0.000 0.704 86 V HN 0.181 nan 8.190 nan 0.000 0.493 87 K N -0.103 120.315 120.400 0.030 0.000 2.186 87 K HA -0.027 4.294 4.320 0.001 0.000 0.202 87 K C 1.847 178.451 176.600 0.007 0.000 1.052 87 K CA 0.672 56.971 56.287 0.020 0.000 0.965 87 K CB -0.009 32.502 32.500 0.018 0.000 0.746 87 K HN 0.513 nan 8.250 nan 0.000 0.457 88 E N 0.825 121.021 120.200 -0.007 0.000 2.516 88 E HA -0.010 4.341 4.350 0.001 0.000 0.199 88 E C -0.093 176.477 176.600 -0.049 0.000 1.069 88 E CA 0.161 56.549 56.400 -0.020 0.000 0.876 88 E CB 0.051 29.734 29.700 -0.028 0.000 0.843 88 E HN 0.245 nan 8.360 nan 0.000 0.530 89 I N 2.931 123.472 120.570 -0.049 0.000 2.329 89 I HA -0.008 4.162 4.170 0.001 0.000 0.295 89 I C 0.612 176.715 176.117 -0.023 0.000 1.109 89 I CA -0.089 61.169 61.300 -0.070 0.000 1.297 89 I CB 0.434 38.398 38.000 -0.060 0.000 1.433 89 I HN -0.041 nan 8.210 nan 0.000 0.509 90 K N 8.107 128.498 120.400 -0.016 0.000 2.715 90 K HA 0.187 4.507 4.320 0.001 0.000 0.248 90 K C -0.391 176.222 176.600 0.022 0.000 1.276 90 K CA -0.343 55.952 56.287 0.014 0.000 1.209 90 K CB -0.087 32.431 32.500 0.029 0.000 1.509 90 K HN 0.754 nan 8.250 nan 0.000 0.261 91 Q N 0.193 120.006 119.800 0.022 0.000 2.776 91 Q HA 0.151 4.491 4.340 0.001 0.000 0.248 91 Q C -1.621 174.402 176.000 0.040 0.000 0.990 91 Q CA -1.092 54.732 55.803 0.035 0.000 0.953 91 Q CB 0.591 29.352 28.738 0.037 0.000 1.801 91 Q HN 0.178 nan 8.270 nan 0.000 0.448 92 K N 2.368 122.792 120.400 0.041 0.000 2.440 92 K HA 0.103 4.424 4.320 0.001 0.000 0.275 92 K C -0.093 176.543 176.600 0.060 0.000 1.082 92 K CA 1.452 57.764 56.287 0.042 0.000 1.135 92 K CB 0.148 32.667 32.500 0.032 0.000 0.864 92 K HN 0.737 nan 8.250 nan 0.000 0.479 93 T N -0.583 114.014 114.554 0.071 0.000 2.888 93 T HA 0.481 4.832 4.350 0.001 0.000 0.288 93 T C -1.129 173.600 174.700 0.048 0.000 1.063 93 T CA -1.033 61.131 62.100 0.105 0.000 1.010 93 T CB 2.105 71.096 68.868 0.204 0.000 1.214 93 T HN 0.505 nan 8.240 nan 0.000 0.533 94 D N -1.171 119.234 120.400 0.008 0.000 2.548 94 D HA 0.505 5.146 4.640 0.001 0.000 0.214 94 D C -0.011 176.219 176.300 -0.116 0.000 1.345 94 D CA 1.008 54.985 54.000 -0.039 0.000 0.945 94 D CB 0.744 41.524 40.800 -0.032 0.000 1.499 94 D HN 1.311 nan 8.370 nan 0.000 0.579 95 G N 2.941 111.676 108.800 -0.109 0.000 2.699 95 G HA2 -0.172 3.788 3.960 0.001 0.000 0.686 95 G HA3 -0.172 3.788 3.960 0.001 0.000 0.686 95 G C 0.102 174.851 174.900 -0.251 0.000 1.301 95 G CA -0.394 44.610 45.100 -0.160 0.000 0.816 95 G HN 0.497 nan 8.290 nan 0.000 0.595 96 N N -0.332 118.244 118.700 -0.206 0.000 2.280 96 N HA 0.290 5.031 4.740 0.001 0.000 0.192 96 N C 0.656 175.969 175.510 -0.329 0.000 1.109 96 N CA 0.714 53.657 53.050 -0.178 0.000 0.855 96 N CB 0.811 39.278 38.487 -0.033 0.000 0.974 96 N HN 0.528 nan 8.380 nan 0.000 0.482 97 S N 0.207 115.639 115.700 -0.445 0.000 2.578 97 S HA 0.540 5.011 4.470 0.001 0.000 0.283 97 S C -0.838 173.297 174.600 -0.775 0.000 1.195 97 S CA -0.335 57.669 58.200 -0.326 0.000 1.050 97 S CB 0.686 63.916 63.200 0.050 0.000 1.012 97 S HN 0.040 nan 8.310 nan 0.000 0.511 98 F N 1.790 121.717 119.950 -0.037 0.000 2.561 98 F HA 0.465 4.992 4.527 0.001 0.000 0.313 98 F C -0.603 175.219 175.800 0.037 0.000 1.126 98 F CA -0.930 57.055 58.000 -0.025 0.000 0.918 98 F CB 1.378 40.331 39.000 -0.077 0.000 1.199 98 F HN 0.297 nan 8.300 nan 0.000 0.444 99 L N 5.244 126.599 121.223 0.220 0.000 2.265 99 L HA 0.630 4.971 4.340 0.001 0.000 0.289 99 L C -0.938 176.016 176.870 0.140 0.000 1.033 99 L CA -0.343 54.600 54.840 0.171 0.000 0.814 99 L CB 0.434 42.550 42.059 0.095 0.000 1.203 99 L HN 0.483 nan 8.230 nan 0.000 0.423 100 I N 4.894 125.541 120.570 0.128 0.000 2.339 100 I HA 0.305 4.475 4.170 0.001 0.000 0.290 100 I C -0.408 175.756 176.117 0.078 0.000 0.994 100 I CA -0.403 60.948 61.300 0.085 0.000 1.191 100 I CB 1.110 39.149 38.000 0.064 0.000 1.343 100 I HN 0.614 nan 8.210 nan 0.000 0.458 101 N N 6.315 125.053 118.700 0.064 0.000 2.527 101 N HA 0.290 5.030 4.740 0.001 0.000 0.236 101 N C -0.839 174.710 175.510 0.065 0.000 0.999 101 N CA -0.505 52.588 53.050 0.072 0.000 0.935 101 N CB 1.010 39.540 38.487 0.071 0.000 1.132 101 N HN 0.369 nan 8.380 nan 0.000 0.511 102 L N 4.369 125.626 121.223 0.055 0.000 2.312 102 L HA 0.421 4.762 4.340 0.001 0.000 0.287 102 L C -0.744 176.149 176.870 0.038 0.000 1.091 102 L CA -0.134 54.727 54.840 0.036 0.000 0.846 102 L CB -0.218 41.852 42.059 0.018 0.000 1.219 102 L HN 0.499 nan 8.230 nan 0.000 0.439 103 I N 4.311 124.916 120.570 0.057 0.000 2.337 103 I HA 0.085 4.255 4.170 0.001 0.000 0.291 103 I C 0.439 176.562 176.117 0.010 0.000 1.046 103 I CA -0.480 60.861 61.300 0.068 0.000 1.324 103 I CB 0.718 38.807 38.000 0.149 0.000 1.409 103 I HN 0.591 nan 8.210 nan 0.000 0.494 104 D N 5.012 125.383 120.400 -0.049 0.000 2.443 104 D HA 0.049 4.689 4.640 0.001 0.000 0.234 104 D C -0.541 175.729 176.300 -0.050 0.000 1.172 104 D CA 0.805 54.762 54.000 -0.071 0.000 0.878 104 D CB 0.756 41.480 40.800 -0.127 0.000 1.204 104 D HN 0.432 nan 8.370 nan 0.000 0.453 105 S N 1.684 117.353 115.700 -0.052 0.000 2.632 105 S HA 0.640 5.111 4.470 0.001 0.000 0.289 105 S C -2.419 172.143 174.600 -0.063 0.000 1.115 105 S CA -1.137 57.042 58.200 -0.035 0.000 0.889 105 S CB 1.713 64.903 63.200 -0.016 0.000 1.116 105 S HN 0.413 nan 8.310 nan 0.000 0.486 106 P HA 0.310 nan 4.420 nan 0.000 0.275 106 P C 0.680 177.970 177.300 -0.016 0.000 1.270 106 P CA -0.277 62.776 63.100 -0.078 0.000 0.791 106 P CB 0.252 31.992 31.700 0.068 0.000 1.089 107 G N -1.841 106.983 108.800 0.040 0.000 2.641 107 G HA2 0.005 3.966 3.960 0.001 0.000 0.207 107 G HA3 0.005 3.966 3.960 0.001 0.000 0.207 107 G C -0.098 174.861 174.900 0.098 0.000 1.137 107 G CA 0.709 45.839 45.100 0.051 0.000 0.824 107 G HN 0.518 nan 8.290 nan 0.000 0.547 108 H N -1.066 118.151 119.070 0.244 0.000 2.529 108 H HA 0.467 5.024 4.556 0.001 0.000 0.348 108 H C 1.106 176.550 175.328 0.194 0.000 1.152 108 H CA -0.669 55.464 56.048 0.142 0.000 1.202 108 H CB 2.319 32.120 29.762 0.066 0.000 1.562 108 H HN -0.162 nan 8.280 nan 0.000 0.515 109 V N 2.260 122.165 119.914 -0.016 0.000 2.759 109 V HA -0.204 3.916 4.120 0.001 0.000 0.256 109 V C 1.308 177.510 176.094 0.180 0.000 1.080 109 V CA 1.682 64.070 62.300 0.148 0.000 1.101 109 V CB -0.345 31.541 31.823 0.104 0.000 0.698 109 V HN 0.813 nan 8.190 nan 0.000 0.477 110 D N 0.570 121.054 120.400 0.141 0.000 2.228 110 D HA -0.180 4.460 4.640 0.001 0.000 0.203 110 D C 1.435 177.624 176.300 -0.186 0.000 0.988 110 D CA 1.265 55.202 54.000 -0.105 0.000 0.864 110 D CB -0.348 40.302 40.800 -0.249 0.000 0.928 110 D HN 0.500 nan 8.370 nan 0.000 0.469 111 F N 1.550 121.546 119.950 0.078 0.000 2.708 111 F HA -0.021 4.507 4.527 0.001 0.000 0.299 111 F C 1.946 177.784 175.800 0.064 0.000 1.289 111 F CA -0.127 57.910 58.000 0.061 0.000 1.444 111 F CB -0.861 38.185 39.000 0.077 0.000 1.086 111 F HN -0.197 nan 8.300 nan 0.000 0.528 112 S N 0.143 115.902 115.700 0.098 0.000 2.472 112 S HA -0.408 4.063 4.470 0.001 0.000 0.292 112 S C 2.296 177.014 174.600 0.196 0.000 1.175 112 S CA 2.334 60.540 58.200 0.010 0.000 1.249 112 S CB -1.051 61.853 63.200 -0.493 0.000 1.208 112 S HN 0.579 nan 8.310 nan 0.000 0.442 113 S N 1.365 117.135 115.700 0.116 0.000 2.374 113 S HA -0.160 4.311 4.470 0.001 0.000 0.227 113 S C 1.699 176.412 174.600 0.188 0.000 1.037 113 S CA 1.293 59.584 58.200 0.153 0.000 1.024 113 S CB -0.431 62.846 63.200 0.127 0.000 0.861 113 S HN 0.396 nan 8.310 nan 0.000 0.456 114 E N 0.612 120.931 120.200 0.199 0.000 2.427 114 E HA 0.078 4.428 4.350 0.001 0.000 0.196 114 E C 2.078 178.777 176.600 0.164 0.000 1.028 114 E CA 0.156 56.653 56.400 0.161 0.000 0.864 114 E CB -0.143 29.623 29.700 0.110 0.000 0.813 114 E HN 0.391 nan 8.360 nan 0.000 0.514 115 V N 0.635 120.682 119.914 0.222 0.000 2.255 115 V HA -0.206 3.915 4.120 0.001 0.000 0.243 115 V C 2.277 178.471 176.094 0.165 0.000 1.038 115 V CA 2.041 64.460 62.300 0.198 0.000 1.008 115 V CB -0.889 31.107 31.823 0.289 0.000 0.645 115 V HN 0.226 nan 8.190 nan 0.000 0.449 116 T N 0.606 115.288 114.554 0.214 0.000 2.778 116 T HA -0.218 4.133 4.350 0.001 0.000 0.269 116 T C 2.012 176.816 174.700 0.172 0.000 1.050 116 T CA 1.622 63.826 62.100 0.173 0.000 1.137 116 T CB -0.474 68.522 68.868 0.213 0.000 0.860 116 T HN 0.566 nan 8.240 nan 0.000 0.468 117 A N 1.583 124.517 122.820 0.191 0.000 1.865 117 A HA 0.085 4.405 4.320 0.001 0.000 0.217 117 A C 2.686 180.400 177.584 0.217 0.000 1.191 117 A CA 2.018 54.184 52.037 0.215 0.000 0.623 117 A CB -1.294 17.816 19.000 0.184 0.000 0.826 117 A HN 0.524 nan 8.150 nan 0.000 0.444 118 A N -0.225 122.696 122.820 0.168 0.000 1.858 118 A HA -0.070 4.250 4.320 0.001 0.000 0.216 118 A C 2.206 179.876 177.584 0.144 0.000 1.190 118 A CA 1.570 53.701 52.037 0.157 0.000 0.617 118 A CB -0.805 18.253 19.000 0.095 0.000 0.827 118 A HN 0.482 nan 8.150 nan 0.000 0.443 119 L N -1.199 120.089 121.223 0.107 0.000 1.978 119 L HA -0.280 4.061 4.340 0.001 0.000 0.218 119 L C 2.777 179.707 176.870 0.099 0.000 1.075 119 L CA 2.173 57.061 54.840 0.080 0.000 0.767 119 L CB -0.628 41.458 42.059 0.045 0.000 0.890 119 L HN 0.457 nan 8.230 nan 0.000 0.434 120 R N 0.076 120.645 120.500 0.115 0.000 2.244 120 R HA -0.178 4.163 4.340 0.001 0.000 0.252 120 R C 1.687 178.070 176.300 0.139 0.000 1.177 120 R CA 1.736 57.893 56.100 0.095 0.000 1.004 120 R CB -0.119 30.237 30.300 0.094 0.000 0.873 120 R HN 0.500 nan 8.270 nan 0.000 0.469 121 V N -2.734 117.292 119.914 0.186 0.000 3.542 121 V HA 0.213 4.333 4.120 0.001 0.000 0.296 121 V C 0.420 176.578 176.094 0.107 0.000 1.364 121 V CA 0.165 62.573 62.300 0.180 0.000 1.118 121 V CB 0.004 31.923 31.823 0.159 0.000 0.972 121 V HN 0.248 nan 8.190 nan 0.000 0.430 122 T N -3.126 111.492 114.554 0.106 0.000 2.945 122 T HA 0.579 4.930 4.350 0.001 0.000 0.286 122 T C 0.049 174.794 174.700 0.074 0.000 1.025 122 T CA -0.193 61.952 62.100 0.074 0.000 1.039 122 T CB 2.334 71.241 68.868 0.066 0.000 1.068 122 T HN 0.164 nan 8.240 nan 0.000 0.497 123 D N 0.666 121.101 120.400 0.059 0.000 2.482 123 D HA 0.245 4.886 4.640 0.001 0.000 0.251 123 D C 1.054 177.400 176.300 0.077 0.000 1.073 123 D CA 0.258 54.302 54.000 0.072 0.000 0.892 123 D CB 0.267 41.096 40.800 0.049 0.000 1.202 123 D HN 0.795 nan 8.370 nan 0.000 0.496 124 G N -0.216 108.612 108.800 0.047 0.000 2.568 124 G HA2 0.688 4.649 3.960 0.001 0.000 0.313 124 G HA3 0.688 4.649 3.960 0.001 0.000 0.313 124 G C -1.312 173.594 174.900 0.010 0.000 1.227 124 G CA -0.463 44.655 45.100 0.029 0.000 0.979 124 G HN 0.185 nan 8.290 nan 0.000 0.486 125 A N -0.299 122.514 122.820 -0.011 0.000 2.517 125 A HA 0.579 4.900 4.320 0.001 0.000 0.297 125 A C -1.568 175.987 177.584 -0.049 0.000 1.050 125 A CA -0.560 51.462 52.037 -0.025 0.000 0.694 125 A CB 1.858 20.841 19.000 -0.028 0.000 1.277 125 A HN 1.405 nan 8.150 nan 0.000 0.400 126 L N 3.442 124.634 121.223 -0.053 0.000 2.360 126 L HA 0.528 4.868 4.340 0.001 0.000 0.265 126 L C -0.750 176.071 176.870 -0.083 0.000 1.066 126 L CA -0.254 54.541 54.840 -0.075 0.000 0.929 126 L CB 0.605 42.623 42.059 -0.069 0.000 1.306 126 L HN 0.413 nan 8.230 nan 0.000 0.434 127 V N 5.176 125.032 119.914 -0.097 0.000 2.479 127 V HA 0.155 4.276 4.120 0.001 0.000 0.281 127 V C 0.318 176.347 176.094 -0.108 0.000 1.031 127 V CA -0.242 62.003 62.300 -0.092 0.000 1.038 127 V CB 1.062 32.825 31.823 -0.100 0.000 0.981 127 V HN 0.420 nan 8.190 nan 0.000 0.478 128 V N 6.742 126.613 119.914 -0.073 0.000 2.370 128 V HA 0.431 4.552 4.120 0.001 0.000 0.279 128 V C 0.105 176.177 176.094 -0.037 0.000 1.029 128 V CA -0.288 61.966 62.300 -0.076 0.000 0.870 128 V CB 1.578 33.377 31.823 -0.040 0.000 0.984 128 V HN 0.616 nan 8.190 nan 0.000 0.451 129 V N 3.668 123.521 119.914 -0.102 0.000 2.919 129 V HA 0.494 4.614 4.120 0.001 0.000 0.316 129 V C -0.521 175.451 176.094 -0.203 0.000 1.077 129 V CA -0.727 61.515 62.300 -0.096 0.000 0.977 129 V CB 2.455 34.218 31.823 -0.101 0.000 1.039 129 V HN 1.000 nan 8.190 nan 0.000 0.441 130 D N 0.703 120.916 120.400 -0.312 0.000 2.163 130 D HA 0.317 4.958 4.640 0.001 0.000 0.248 130 D C 0.947 177.162 176.300 -0.141 0.000 1.035 130 D CA -0.054 53.710 54.000 -0.392 0.000 0.872 130 D CB 2.122 42.419 40.800 -0.839 0.000 1.183 130 D HN 0.485 nan 8.370 nan 0.000 0.445 131 T N 2.790 117.317 114.554 -0.046 0.000 2.622 131 T HA -0.128 4.222 4.350 0.001 0.000 0.266 131 T C 1.722 176.460 174.700 0.064 0.000 1.047 131 T CA 1.459 63.628 62.100 0.115 0.000 1.159 131 T CB -0.267 68.715 68.868 0.191 0.000 0.863 131 T HN 0.437 nan 8.240 nan 0.000 0.422 132 I N 1.436 122.015 120.570 0.015 0.000 2.072 132 I HA -0.103 4.068 4.170 0.001 0.000 0.235 132 I C 2.406 178.525 176.117 0.004 0.000 1.058 132 I CA 1.558 62.866 61.300 0.013 0.000 1.320 132 I CB -0.665 37.342 38.000 0.012 0.000 1.047 132 I HN 0.295 nan 8.210 nan 0.000 0.397 133 E N 0.574 120.764 120.200 -0.016 0.000 2.427 133 E HA 0.167 4.517 4.350 0.001 0.000 0.196 133 E C 1.492 178.091 176.600 -0.002 0.000 1.028 133 E CA 0.562 56.961 56.400 -0.001 0.000 0.864 133 E CB -0.206 29.509 29.700 0.024 0.000 0.813 133 E HN 0.546 nan 8.360 nan 0.000 0.514 134 G N 1.119 109.905 108.800 -0.023 0.000 2.556 134 G HA2 -0.344 3.616 3.960 0.001 0.000 0.283 134 G HA3 -0.344 3.616 3.960 0.001 0.000 0.283 134 G C 0.033 174.929 174.900 -0.007 0.000 1.177 134 G CA -0.093 45.000 45.100 -0.012 0.000 0.978 134 G HN 0.151 nan 8.290 nan 0.000 0.554 135 V N 1.659 121.577 119.914 0.006 0.000 2.432 135 V HA 0.432 4.553 4.120 0.001 0.000 0.271 135 V C 1.379 177.489 176.094 0.026 0.000 1.046 135 V CA -0.064 62.245 62.300 0.015 0.000 0.945 135 V CB 0.089 31.910 31.823 -0.004 0.000 0.992 135 V HN 1.347 nan 8.190 nan 0.000 0.471 136 C N 4.540 123.867 119.300 0.046 0.000 2.405 136 C HA 0.570 5.030 4.460 0.001 0.000 0.365 136 C C 1.830 176.811 174.990 -0.016 0.000 1.233 136 C CA -0.629 58.391 59.018 0.004 0.000 2.230 136 C CB 0.603 28.312 27.740 -0.050 0.000 2.443 136 C HN 0.669 nan 8.230 nan 0.000 0.556 137 V N 2.085 121.984 119.914 -0.025 0.000 2.363 137 V HA -0.318 3.802 4.120 0.001 0.000 0.254 137 V C 2.737 178.816 176.094 -0.025 0.000 1.074 137 V CA 2.742 65.028 62.300 -0.023 0.000 1.069 137 V CB -1.411 30.399 31.823 -0.022 0.000 0.659 137 V HN 1.072 nan 8.190 nan 0.000 0.455 138 Q N 0.092 119.880 119.800 -0.020 0.000 1.990 138 Q HA -0.203 4.138 4.340 0.001 0.000 0.200 138 Q C 2.247 178.234 176.000 -0.022 0.000 0.980 138 Q CA 2.374 58.171 55.803 -0.009 0.000 0.832 138 Q CB -0.366 28.392 28.738 0.033 0.000 0.897 138 Q HN 0.598 nan 8.270 nan 0.000 0.427 139 T N 1.046 115.596 114.554 -0.006 0.000 2.833 139 T HA -0.188 4.162 4.350 0.001 0.000 0.269 139 T C 1.491 176.161 174.700 -0.051 0.000 1.054 139 T CA 1.457 63.546 62.100 -0.018 0.000 1.135 139 T CB -0.206 68.672 68.868 0.017 0.000 0.869 139 T HN 0.453 nan 8.240 nan 0.000 0.466 140 E N 0.438 120.610 120.200 -0.047 0.000 2.077 140 E HA -0.156 4.194 4.350 0.001 0.000 0.193 140 E C 2.099 178.628 176.600 -0.119 0.000 0.989 140 E CA 1.422 57.784 56.400 -0.062 0.000 0.800 140 E CB -0.029 29.648 29.700 -0.038 0.000 0.746 140 E HN 0.394 nan 8.360 nan 0.000 0.452 141 T N 0.380 114.859 114.554 -0.126 0.000 2.737 141 T HA -0.109 4.242 4.350 0.001 0.000 0.265 141 T C 1.954 176.475 174.700 -0.298 0.000 1.038 141 T CA 1.253 63.235 62.100 -0.198 0.000 1.144 141 T CB -0.197 68.603 68.868 -0.113 0.000 0.866 141 T HN 0.024 nan 8.240 nan 0.000 0.434 142 V N 1.771 121.543 119.914 -0.237 0.000 2.332 142 V HA -0.138 3.983 4.120 0.001 0.000 0.248 142 V C 2.423 178.383 176.094 -0.223 0.000 1.055 142 V CA 1.324 63.467 62.300 -0.263 0.000 1.038 142 V CB -0.746 30.991 31.823 -0.143 0.000 0.651 142 V HN 0.316 nan 8.190 nan 0.000 0.450 143 L N 0.118 121.242 121.223 -0.166 0.000 2.042 143 L HA -0.163 4.178 4.340 0.001 0.000 0.210 143 L C 2.543 179.313 176.870 -0.167 0.000 1.076 143 L CA 1.943 56.703 54.840 -0.133 0.000 0.749 143 L CB -0.753 41.248 42.059 -0.097 0.000 0.893 143 L HN 0.158 nan 8.230 nan 0.000 0.432 144 R N -1.101 119.249 120.500 -0.250 0.000 2.096 144 R HA -0.196 4.145 4.340 0.001 0.000 0.240 144 R C 2.259 178.395 176.300 -0.275 0.000 1.139 144 R CA 1.746 57.633 56.100 -0.355 0.000 0.952 144 R CB -0.209 29.762 30.300 -0.549 0.000 0.854 144 R HN 0.498 nan 8.270 nan 0.000 0.436 145 Q N -0.422 119.189 119.800 -0.315 0.000 2.084 145 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 145 Q C 2.040 177.949 176.000 -0.152 0.000 0.978 145 Q CA 1.704 57.340 55.803 -0.279 0.000 0.844 145 Q CB -0.343 28.128 28.738 -0.445 0.000 0.898 145 Q HN 0.355 nan 8.270 nan 0.000 0.426 146 A N 0.657 123.398 122.820 -0.133 0.000 1.930 146 A HA -0.095 4.226 4.320 0.001 0.000 0.217 146 A C 2.192 179.750 177.584 -0.042 0.000 1.175 146 A CA 0.941 52.937 52.037 -0.069 0.000 0.627 146 A CB -0.586 18.376 19.000 -0.064 0.000 0.815 146 A HN 0.321 nan 8.150 nan 0.000 0.443 147 L N -0.897 120.293 121.223 -0.054 0.000 2.291 147 L HA -0.031 4.309 4.340 0.001 0.000 0.214 147 L C 2.649 179.515 176.870 -0.006 0.000 1.120 147 L CA 0.709 55.537 54.840 -0.020 0.000 0.799 147 L CB -0.562 41.499 42.059 0.003 0.000 0.925 147 L HN 0.479 nan 8.230 nan 0.000 0.446 148 G N -0.606 108.178 108.800 -0.027 0.000 2.448 148 G HA2 -0.157 3.803 3.960 0.001 0.000 0.218 148 G HA3 -0.157 3.803 3.960 0.001 0.000 0.218 148 G C 1.367 176.271 174.900 0.007 0.000 1.135 148 G CA 0.180 45.275 45.100 -0.009 0.000 0.784 148 G HN 0.231 nan 8.290 nan 0.000 0.543 149 E N 0.164 120.367 120.200 0.005 0.000 2.489 149 E HA 0.099 4.449 4.350 0.001 0.000 0.193 149 E C 0.677 177.315 176.600 0.063 0.000 1.057 149 E CA -0.251 56.164 56.400 0.024 0.000 0.866 149 E CB 0.068 29.780 29.700 0.021 0.000 0.916 149 E HN 0.370 nan 8.360 nan 0.000 0.500 150 R N 0.611 121.150 120.500 0.064 0.000 3.531 150 R HA -0.146 4.194 4.340 0.001 0.000 0.280 150 R C -0.080 176.309 176.300 0.148 0.000 1.130 150 R CA 0.348 56.511 56.100 0.105 0.000 0.757 150 R CB -1.727 28.703 30.300 0.216 0.000 1.218 150 R HN 0.133 nan 8.270 nan 0.000 0.454 151 I N 1.278 121.894 120.570 0.077 0.000 2.474 151 I HA 0.095 4.265 4.170 0.001 0.000 0.287 151 I C 0.896 177.032 176.117 0.031 0.000 1.048 151 I CA -0.061 61.280 61.300 0.069 0.000 1.383 151 I CB 1.157 39.175 38.000 0.029 0.000 1.412 151 I HN 0.049 nan 8.210 nan 0.000 0.531 152 K N 8.778 129.202 120.400 0.040 0.000 2.248 152 K HA 0.389 4.710 4.320 0.001 0.000 0.281 152 K C -2.492 174.088 176.600 -0.033 0.000 1.054 152 K CA -1.313 54.970 56.287 -0.006 0.000 0.903 152 K CB 1.173 33.682 32.500 0.014 0.000 1.077 152 K HN 0.313 nan 8.250 nan 0.000 0.474 153 P HA 0.167 nan 4.420 nan 0.000 0.282 153 P C -1.122 176.103 177.300 -0.125 0.000 1.259 153 P CA -0.614 62.430 63.100 -0.093 0.000 0.826 153 P CB 1.577 33.213 31.700 -0.106 0.000 1.064 154 V N 2.599 122.433 119.914 -0.133 0.000 2.567 154 V HA 0.150 4.271 4.120 0.001 0.000 0.298 154 V C 0.110 176.088 176.094 -0.194 0.000 1.047 154 V CA -0.652 61.547 62.300 -0.168 0.000 0.880 154 V CB 2.177 33.931 31.823 -0.116 0.000 1.009 154 V HN 0.274 nan 8.190 nan 0.000 0.429 155 V N 5.806 125.566 119.914 -0.257 0.000 2.863 155 V HA 0.594 4.715 4.120 0.001 0.000 0.307 155 V C -0.223 175.653 176.094 -0.364 0.000 1.061 155 V CA -0.444 61.686 62.300 -0.283 0.000 1.024 155 V CB 1.994 33.636 31.823 -0.302 0.000 1.049 155 V HN 0.549 nan 8.190 nan 0.000 0.471 156 V N 4.128 123.830 119.914 -0.354 0.000 2.555 156 V HA 0.355 4.476 4.120 0.001 0.000 0.283 156 V C -0.541 175.313 176.094 -0.400 0.000 1.020 156 V CA -0.292 61.755 62.300 -0.422 0.000 0.883 156 V CB 1.486 33.128 31.823 -0.303 0.000 1.030 156 V HN 0.683 nan 8.190 nan 0.000 0.448 157 I N 4.792 125.046 120.570 -0.527 0.000 2.406 157 I HA 0.188 4.359 4.170 0.001 0.000 0.293 157 I C 0.639 176.576 176.117 -0.299 0.000 1.101 157 I CA 0.654 61.743 61.300 -0.351 0.000 1.334 157 I CB 0.252 38.059 38.000 -0.322 0.000 1.421 157 I HN 0.599 nan 8.210 nan 0.000 0.513 158 N N 5.116 123.670 118.700 -0.243 0.000 2.491 158 N HA 0.321 5.061 4.740 0.001 0.000 0.279 158 N C -0.458 174.936 175.510 -0.194 0.000 1.236 158 N CA -0.521 52.383 53.050 -0.244 0.000 0.982 158 N CB 0.669 39.033 38.487 -0.205 0.000 1.194 158 N HN 0.321 nan 8.380 nan 0.000 0.582 159 K N -0.585 119.691 120.400 -0.207 0.000 3.257 159 K HA -0.134 4.187 4.320 0.001 0.000 0.270 159 K C 0.320 176.879 176.600 -0.069 0.000 0.984 159 K CA 0.235 56.436 56.287 -0.144 0.000 0.739 159 K CB -2.368 30.065 32.500 -0.111 0.000 1.351 159 K HN 0.259 nan 8.250 nan 0.000 0.463 160 V N 0.957 120.819 119.914 -0.087 0.000 2.488 160 V HA -0.233 3.888 4.120 0.001 0.000 0.246 160 V C 2.586 178.778 176.094 0.164 0.000 1.046 160 V CA 2.149 64.514 62.300 0.108 0.000 1.053 160 V CB -0.309 31.618 31.823 0.173 0.000 0.679 160 V HN 0.600 nan 8.190 nan 0.000 0.458 161 D N 0.939 121.433 120.400 0.157 0.000 2.116 161 D HA -0.316 4.324 4.640 0.001 0.000 0.193 161 D C 2.037 178.465 176.300 0.213 0.000 0.998 161 D CA 1.558 55.739 54.000 0.302 0.000 0.836 161 D CB -0.467 40.364 40.800 0.051 0.000 0.951 161 D HN 0.390 nan 8.370 nan 0.000 0.449 162 R N 0.840 121.405 120.500 0.108 0.000 2.170 162 R HA -0.083 4.258 4.340 0.001 0.000 0.242 162 R C 2.577 178.937 176.300 0.100 0.000 1.145 162 R CA 1.423 57.581 56.100 0.097 0.000 0.984 162 R CB -0.362 29.971 30.300 0.054 0.000 0.869 162 R HN 0.317 nan 8.270 nan 0.000 0.455 163 A N 0.930 123.811 122.820 0.102 0.000 1.897 163 A HA -0.061 4.260 4.320 0.001 0.000 0.215 163 A C 2.078 179.713 177.584 0.085 0.000 1.181 163 A CA 0.920 53.009 52.037 0.088 0.000 0.620 163 A CB -0.251 18.805 19.000 0.093 0.000 0.821 163 A HN 0.130 nan 8.150 nan 0.000 0.443 164 L N -1.224 120.046 121.223 0.078 0.000 2.022 164 L HA -0.062 4.278 4.340 0.001 0.000 0.204 164 L C 2.394 179.343 176.870 0.131 0.000 1.076 164 L CA 0.547 55.409 54.840 0.036 0.000 0.749 164 L CB -0.952 41.034 42.059 -0.122 0.000 0.903 164 L HN 0.217 nan 8.230 nan 0.000 0.439 165 L N 0.149 121.495 121.223 0.205 0.000 2.013 165 L HA -0.211 4.129 4.340 0.001 0.000 0.212 165 L C 2.510 179.449 176.870 0.114 0.000 1.073 165 L CA 1.768 56.707 54.840 0.166 0.000 0.753 165 L CB -0.851 41.319 42.059 0.185 0.000 0.890 165 L HN 0.265 nan 8.230 nan 0.000 0.432 166 E N -0.846 119.419 120.200 0.108 0.000 2.011 166 E HA -0.122 4.229 4.350 0.001 0.000 0.191 166 E C 2.040 178.685 176.600 0.075 0.000 0.979 166 E CA 0.747 57.197 56.400 0.083 0.000 0.822 166 E CB -0.214 29.531 29.700 0.076 0.000 0.782 166 E HN 0.195 nan 8.360 nan 0.000 0.459 167 L N 0.973 122.240 121.223 0.074 0.000 2.376 167 L HA -0.063 4.277 4.340 0.001 0.000 0.219 167 L C 0.499 177.417 176.870 0.080 0.000 1.133 167 L CA 0.740 55.621 54.840 0.068 0.000 0.816 167 L CB -0.364 41.732 42.059 0.061 0.000 0.933 167 L HN 0.123 nan 8.230 nan 0.000 0.449 168 Q N 0.190 120.048 119.800 0.097 0.000 2.431 168 Q HA -0.193 4.147 4.340 0.001 0.000 0.344 168 Q C -0.172 175.913 176.000 0.141 0.000 1.384 168 Q CA 0.519 56.395 55.803 0.122 0.000 0.984 168 Q CB -1.603 27.196 28.738 0.102 0.000 1.204 168 Q HN 0.251 nan 8.270 nan 0.000 0.392 169 V N 0.870 120.880 119.914 0.161 0.000 2.953 169 V HA 0.442 4.562 4.120 0.001 0.000 0.304 169 V C 0.854 177.081 176.094 0.222 0.000 1.073 169 V CA 0.454 62.843 62.300 0.149 0.000 1.064 169 V CB 1.770 33.660 31.823 0.112 0.000 1.047 169 V HN 0.665 nan 8.190 nan 0.000 0.478 170 S N 4.893 120.636 115.700 0.071 0.000 2.614 170 S HA 0.309 4.779 4.470 0.001 0.000 0.265 170 S C 0.887 175.362 174.600 -0.209 0.000 1.303 170 S CA -0.308 57.839 58.200 -0.088 0.000 1.000 170 S CB 0.862 64.003 63.200 -0.099 0.000 0.935 170 S HN 0.748 nan 8.310 nan 0.000 0.551 171 K N 0.519 120.574 120.400 -0.574 0.000 2.063 171 K HA -0.189 4.131 4.320 0.001 0.000 0.208 171 K C 2.079 178.583 176.600 -0.160 0.000 1.048 171 K CA 1.852 57.828 56.287 -0.518 0.000 0.928 171 K CB -0.320 31.830 32.500 -0.584 0.000 0.713 171 K HN 0.752 nan 8.250 nan 0.000 0.442 172 E N 1.585 121.699 120.200 -0.143 0.000 2.072 172 E HA -0.169 4.181 4.350 0.001 0.000 0.191 172 E C 1.517 178.126 176.600 0.014 0.000 0.985 172 E CA 1.564 57.933 56.400 -0.051 0.000 0.801 172 E CB -0.103 29.555 29.700 -0.071 0.000 0.750 172 E HN 0.156 nan 8.360 nan 0.000 0.452 173 D N 0.060 120.449 120.400 -0.019 0.000 2.117 173 D HA -0.163 4.478 4.640 0.001 0.000 0.197 173 D C 1.975 178.245 176.300 -0.051 0.000 0.987 173 D CA 0.957 54.949 54.000 -0.014 0.000 0.829 173 D CB -0.398 40.397 40.800 -0.008 0.000 0.961 173 D HN 0.209 nan 8.370 nan 0.000 0.460 174 L N 0.350 121.534 121.223 -0.065 0.000 2.012 174 L HA -0.221 4.119 4.340 0.001 0.000 0.210 174 L C 2.321 178.910 176.870 -0.468 0.000 1.073 174 L CA 1.631 56.328 54.840 -0.238 0.000 0.748 174 L CB -1.116 40.900 42.059 -0.072 0.000 0.891 174 L HN 0.075 nan 8.230 nan 0.000 0.431 175 Y N -0.201 119.942 120.300 -0.261 0.000 2.128 175 Y HA -0.288 4.263 4.550 0.001 0.000 0.284 175 Y C 2.493 178.304 175.900 -0.149 0.000 1.154 175 Y CA 2.039 60.047 58.100 -0.154 0.000 1.149 175 Y CB -0.261 38.158 38.460 -0.067 0.000 0.976 175 Y HN 0.311 nan 8.280 nan 0.000 0.505 176 Q N -0.182 119.582 119.800 -0.060 0.000 2.234 176 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 176 Q C 2.186 178.116 176.000 -0.117 0.000 0.980 176 Q CA 1.901 57.649 55.803 -0.092 0.000 0.869 176 Q CB -0.765 27.983 28.738 0.015 0.000 0.912 176 Q HN 0.534 nan 8.270 nan 0.000 0.436 177 T N 0.816 115.281 114.554 -0.148 0.000 2.732 177 T HA -0.066 4.284 4.350 0.001 0.000 0.261 177 T C 1.464 176.209 174.700 0.076 0.000 1.040 177 T CA 0.878 62.936 62.100 -0.071 0.000 1.145 177 T CB -0.277 68.516 68.868 -0.125 0.000 0.866 177 T HN 0.127 nan 8.240 nan 0.000 0.427 178 F N 2.047 122.024 119.950 0.046 0.000 2.154 178 F HA -0.046 4.482 4.527 0.001 0.000 0.301 178 F C 2.655 178.514 175.800 0.097 0.000 1.087 178 F CA 0.248 58.333 58.000 0.141 0.000 1.274 178 F CB -1.517 37.657 39.000 0.289 0.000 1.009 178 F HN 0.165 nan 8.300 nan 0.000 0.485 179 A N 0.089 122.985 122.820 0.127 0.000 1.873 179 A HA -0.171 4.149 4.320 0.001 0.000 0.215 179 A C 2.420 180.054 177.584 0.083 0.000 1.186 179 A CA 1.475 53.560 52.037 0.080 0.000 0.616 179 A CB -0.609 18.276 19.000 -0.192 0.000 0.823 179 A HN 0.295 nan 8.150 nan 0.000 0.442 180 R N -1.084 119.444 120.500 0.048 0.000 2.075 180 R HA -0.058 4.283 4.340 0.001 0.000 0.232 180 R C 2.336 178.665 176.300 0.048 0.000 1.126 180 R CA 1.679 57.803 56.100 0.041 0.000 0.963 180 R CB -0.701 29.615 30.300 0.026 0.000 0.858 180 R HN 0.518 nan 8.270 nan 0.000 0.435 181 T N 0.852 115.452 114.554 0.077 0.000 2.595 181 T HA -0.141 4.210 4.350 0.001 0.000 0.264 181 T C 1.979 176.688 174.700 0.015 0.000 1.058 181 T CA 1.664 63.799 62.100 0.059 0.000 1.166 181 T CB -0.284 68.652 68.868 0.114 0.000 0.863 181 T HN -0.016 nan 8.240 nan 0.000 0.415 182 V N 1.652 121.578 119.914 0.020 0.000 2.380 182 V HA -0.177 3.944 4.120 0.001 0.000 0.251 182 V C 2.612 178.681 176.094 -0.041 0.000 1.063 182 V CA 1.978 64.246 62.300 -0.054 0.000 1.055 182 V CB -0.677 31.103 31.823 -0.071 0.000 0.657 182 V HN 0.416 nan 8.190 nan 0.000 0.455 183 E N 0.672 120.878 120.200 0.010 0.000 2.051 183 E HA -0.158 4.192 4.350 0.001 0.000 0.192 183 E C 2.351 178.945 176.600 -0.011 0.000 0.991 183 E CA 1.875 58.282 56.400 0.012 0.000 0.799 183 E CB -0.538 29.183 29.700 0.035 0.000 0.748 183 E HN 0.546 nan 8.360 nan 0.000 0.449 184 S N -0.349 115.347 115.700 -0.007 0.000 2.359 184 S HA -0.186 4.285 4.470 0.001 0.000 0.222 184 S C 2.090 176.674 174.600 -0.026 0.000 1.038 184 S CA 1.454 59.648 58.200 -0.010 0.000 1.051 184 S CB -0.651 62.547 63.200 -0.004 0.000 0.944 184 S HN 0.187 nan 8.310 nan 0.000 0.433 185 V N 3.233 123.120 119.914 -0.046 0.000 2.231 185 V HA -0.260 3.861 4.120 0.001 0.000 0.250 185 V C 2.201 178.249 176.094 -0.077 0.000 1.058 185 V CA 1.931 64.190 62.300 -0.069 0.000 1.022 185 V CB -0.850 30.906 31.823 -0.111 0.000 0.640 185 V HN 0.465 nan 8.190 nan 0.000 0.445 186 N N -0.019 118.621 118.700 -0.101 0.000 2.272 186 N HA -0.134 4.606 4.740 0.001 0.000 0.185 186 N C 1.689 177.154 175.510 -0.074 0.000 1.014 186 N CA 1.411 54.392 53.050 -0.115 0.000 0.870 186 N CB -0.359 38.048 38.487 -0.132 0.000 0.975 186 N HN 0.415 nan 8.380 nan 0.000 0.433 187 V N 1.405 121.289 119.914 -0.049 0.000 2.407 187 V HA -0.175 3.946 4.120 0.001 0.000 0.248 187 V C 2.222 178.286 176.094 -0.051 0.000 1.055 187 V CA 1.175 63.446 62.300 -0.048 0.000 1.049 187 V CB -0.307 31.497 31.823 -0.031 0.000 0.662 187 V HN 0.206 nan 8.190 nan 0.000 0.455 188 I N -0.574 119.998 120.570 0.003 0.000 2.193 188 I HA -0.147 4.023 4.170 0.001 0.000 0.240 188 I C 2.395 178.567 176.117 0.093 0.000 1.084 188 I CA 1.011 62.381 61.300 0.116 0.000 1.365 188 I CB -0.495 37.576 38.000 0.119 0.000 1.064 188 I HN 0.098 nan 8.210 nan 0.000 0.410 189 V N 1.275 121.192 119.914 0.004 0.000 2.250 189 V HA -0.341 3.779 4.120 0.001 0.000 0.250 189 V C 2.670 178.736 176.094 -0.048 0.000 1.060 189 V CA 2.572 64.853 62.300 -0.031 0.000 1.030 189 V CB -1.124 30.636 31.823 -0.104 0.000 0.643 189 V HN 0.628 nan 8.190 nan 0.000 0.445 190 S N -0.986 114.666 115.700 -0.080 0.000 2.387 190 S HA -0.183 4.287 4.470 0.001 0.000 0.226 190 S C 1.895 176.413 174.600 -0.136 0.000 1.026 190 S CA 1.673 59.818 58.200 -0.091 0.000 0.972 190 S CB -0.706 62.445 63.200 -0.080 0.000 0.814 190 S HN 0.574 nan 8.310 nan 0.000 0.477 191 T N 0.769 115.191 114.554 -0.220 0.000 2.821 191 T HA 0.037 4.387 4.350 0.001 0.000 0.267 191 T C 0.922 175.279 174.700 -0.571 0.000 1.046 191 T CA 1.379 63.202 62.100 -0.461 0.000 1.139 191 T CB -0.339 68.089 68.868 -0.733 0.000 0.871 191 T HN 0.628 nan 8.240 nan 0.000 0.454 192 Y N 0.420 120.691 120.300 -0.050 0.000 2.462 192 Y HA 0.614 5.165 4.550 0.001 0.000 0.253 192 Y C 1.281 177.152 175.900 -0.047 0.000 1.095 192 Y CA -1.121 56.952 58.100 -0.046 0.000 1.283 192 Y CB -0.156 38.273 38.460 -0.051 0.000 1.138 192 Y HN 0.083 nan 8.280 nan 0.000 0.522 193 A N 0.504 123.358 122.820 0.057 0.000 2.425 193 A HA 0.204 4.525 4.320 0.001 0.000 0.242 193 A C -0.453 177.124 177.584 -0.012 0.000 1.077 193 A CA -0.400 51.640 52.037 0.006 0.000 0.781 193 A CB -0.069 18.908 19.000 -0.038 0.000 1.020 193 A HN 0.166 nan 8.150 nan 0.000 0.494 194 D N 0.823 121.208 120.400 -0.025 0.000 2.390 194 D HA 0.229 4.870 4.640 0.001 0.000 0.249 194 D C 0.921 177.192 176.300 -0.049 0.000 1.144 194 D CA 0.185 54.169 54.000 -0.028 0.000 0.880 194 D CB 0.843 41.627 40.800 -0.028 0.000 1.182 194 D HN 0.625 nan 8.370 nan 0.000 0.451 195 E N 0.821 120.999 120.200 -0.036 0.000 2.347 195 E HA -0.079 4.272 4.350 0.001 0.000 0.196 195 E C 1.637 178.211 176.600 -0.043 0.000 1.008 195 E CA 0.233 56.610 56.400 -0.039 0.000 0.852 195 E CB 0.303 29.987 29.700 -0.027 0.000 0.783 195 E HN 0.237 nan 8.360 nan 0.000 0.505 196 V N 1.244 121.132 119.914 -0.043 0.000 2.427 196 V HA -0.228 3.893 4.120 0.001 0.000 0.248 196 V C 2.139 178.183 176.094 -0.083 0.000 1.051 196 V CA 1.273 63.547 62.300 -0.043 0.000 1.048 196 V CB -0.324 31.484 31.823 -0.024 0.000 0.666 196 V HN 0.330 nan 8.190 nan 0.000 0.456 197 L N -0.008 121.133 121.223 -0.135 0.000 2.349 197 L HA 0.094 4.434 4.340 0.001 0.000 0.220 197 L C 1.414 178.191 176.870 -0.157 0.000 1.130 197 L CA 0.938 55.638 54.840 -0.234 0.000 0.791 197 L CB -1.174 40.716 42.059 -0.281 0.000 0.918 197 L HN 0.598 nan 8.230 nan 0.000 0.444 198 G N 0.335 109.078 108.800 -0.094 0.000 2.632 198 G HA2 -0.314 3.646 3.960 0.001 0.000 0.224 198 G HA3 -0.314 3.646 3.960 0.001 0.000 0.224 198 G C -0.619 174.248 174.900 -0.055 0.000 1.341 198 G CA -0.110 44.954 45.100 -0.059 0.000 0.880 198 G HN 0.317 nan 8.290 nan 0.000 0.566 199 D N -0.687 119.698 120.400 -0.026 0.000 2.325 199 D HA 0.445 5.086 4.640 0.001 0.000 0.251 199 D C 0.901 177.175 176.300 -0.044 0.000 1.196 199 D CA 0.307 54.299 54.000 -0.013 0.000 0.866 199 D CB 1.291 42.125 40.800 0.056 0.000 1.101 199 D HN 0.552 nan 8.370 nan 0.000 0.476 200 V N 3.821 123.681 119.914 -0.091 0.000 3.483 200 V HA 0.080 4.200 4.120 0.001 0.000 0.301 200 V C 0.790 176.759 176.094 -0.207 0.000 1.389 200 V CA 0.051 62.274 62.300 -0.128 0.000 1.101 200 V CB -0.535 31.216 31.823 -0.120 0.000 0.971 200 V HN 0.620 nan 8.190 nan 0.000 0.434 201 Q N 0.600 120.235 119.800 -0.276 0.000 2.432 201 Q HA 0.213 4.553 4.340 0.001 0.000 0.264 201 Q C -0.165 175.385 176.000 -0.749 0.000 1.035 201 Q CA 0.098 55.610 55.803 -0.485 0.000 0.908 201 Q CB 1.431 29.840 28.738 -0.549 0.000 1.280 201 Q HN 0.441 nan 8.270 nan 0.000 0.455 202 V N -0.017 119.486 119.914 -0.685 0.000 2.407 202 V HA 0.398 4.518 4.120 0.001 0.000 0.278 202 V C -1.158 174.509 176.094 -0.711 0.000 1.037 202 V CA -0.678 61.256 62.300 -0.610 0.000 0.900 202 V CB 0.194 31.772 31.823 -0.408 0.000 0.983 202 V HN 0.510 nan 8.190 nan 0.000 0.459 203 Y N 4.618 124.751 120.300 -0.279 0.000 2.326 203 Y HA 0.489 5.039 4.550 0.001 0.000 0.331 203 Y C -1.947 173.713 175.900 -0.400 0.000 0.962 203 Y CA -2.475 55.437 58.100 -0.313 0.000 1.167 203 Y CB 2.099 40.434 38.460 -0.210 0.000 1.148 203 Y HN 0.415 nan 8.280 nan 0.000 0.463 204 P HA -0.255 nan 4.420 nan 0.000 0.216 204 P C 1.357 178.524 177.300 -0.222 0.000 1.153 204 P CA 2.552 65.353 63.100 -0.499 0.000 0.858 204 P CB 0.321 31.305 31.700 -1.193 0.000 0.789 205 A N -0.283 122.401 122.820 -0.227 0.000 2.024 205 A HA -0.190 4.131 4.320 0.001 0.000 0.220 205 A C 1.977 179.580 177.584 0.032 0.000 1.164 205 A CA 1.400 53.447 52.037 0.016 0.000 0.643 205 A CB -0.924 18.112 19.000 0.061 0.000 0.806 205 A HN 0.170 nan 8.150 nan 0.000 0.451 206 R N -1.471 119.025 120.500 -0.007 0.000 2.359 206 R HA 0.258 4.598 4.340 0.001 0.000 0.231 206 R C 1.063 177.349 176.300 -0.023 0.000 0.913 206 R CA 0.426 56.531 56.100 0.008 0.000 1.075 206 R CB 0.005 30.313 30.300 0.014 0.000 1.087 206 R HN 0.610 nan 8.270 nan 0.000 0.515 207 G N 1.639 110.429 108.800 -0.017 0.000 2.198 207 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 207 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 207 G C 0.606 175.416 174.900 -0.150 0.000 1.025 207 G CA 0.903 46.020 45.100 0.028 0.000 0.769 207 G HN 0.440 nan 8.290 nan 0.000 0.507 208 T N -3.157 111.179 114.554 -0.363 0.000 3.214 208 T HA 0.583 4.934 4.350 0.001 0.000 0.264 208 T C 0.116 174.597 174.700 -0.364 0.000 1.012 208 T CA 0.190 62.017 62.100 -0.455 0.000 0.901 208 T CB 1.146 69.678 68.868 -0.560 0.000 1.070 208 T HN 0.871 nan 8.240 nan 0.000 0.561 209 V N 1.168 120.860 119.914 -0.371 0.000 2.577 209 V HA 0.755 4.875 4.120 0.001 0.000 0.294 209 V C -0.249 175.415 176.094 -0.716 0.000 1.052 209 V CA -1.134 60.827 62.300 -0.564 0.000 0.891 209 V CB 1.177 32.618 31.823 -0.637 0.000 1.017 209 V HN 0.642 nan 8.190 nan 0.000 0.436 210 A N 4.775 127.135 122.820 -0.766 0.000 2.299 210 A HA 1.034 5.354 4.320 0.001 0.000 0.332 210 A C -1.166 175.678 177.584 -1.234 0.000 1.131 210 A CA -0.410 51.189 52.037 -0.731 0.000 0.844 210 A CB 1.128 19.904 19.000 -0.373 0.000 1.251 210 A HN 0.632 nan 8.150 nan 0.000 0.486 211 F N -0.514 118.958 119.950 -0.797 0.000 2.577 211 F HA 0.786 5.313 4.527 0.001 0.000 0.318 211 F C 0.776 176.094 175.800 -0.802 0.000 1.065 211 F CA 0.284 57.761 58.000 -0.872 0.000 0.929 211 F CB 2.656 41.015 39.000 -1.068 0.000 1.237 211 F HN 1.037 nan 8.300 nan 0.000 0.468 212 G N 0.200 108.677 108.800 -0.538 0.000 2.336 212 G HA2 0.423 4.384 3.960 0.001 0.000 0.286 212 G HA3 0.423 4.384 3.960 0.001 0.000 0.286 212 G C -1.878 172.375 174.900 -1.079 0.000 1.269 212 G CA -0.569 43.948 45.100 -0.972 0.000 0.873 212 G HN 0.792 nan 8.290 nan 0.000 0.494 213 S N -0.865 114.059 115.700 -1.293 0.000 2.737 213 S HA 0.547 5.017 4.470 0.001 0.000 0.269 213 S C 1.195 175.503 174.600 -0.487 0.000 1.150 213 S CA 0.833 58.528 58.200 -0.843 0.000 1.077 213 S CB 0.891 63.529 63.200 -0.935 0.000 1.075 213 S HN 1.925 nan 8.310 nan 0.000 0.476 214 G N 3.598 112.230 108.800 -0.280 0.000 2.422 214 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 214 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 214 G C 1.244 176.117 174.900 -0.044 0.000 1.146 214 G CA 1.131 46.152 45.100 -0.132 0.000 0.769 214 G HN 0.696 nan 8.290 nan 0.000 0.547 215 L N 0.576 121.773 121.223 -0.044 0.000 1.955 215 L HA -0.129 4.212 4.340 0.001 0.000 0.213 215 L C 2.584 179.615 176.870 0.269 0.000 1.072 215 L CA 2.198 57.096 54.840 0.097 0.000 0.755 215 L CB -0.898 41.224 42.059 0.105 0.000 0.888 215 L HN 0.292 nan 8.230 nan 0.000 0.432 216 H N 0.168 119.314 119.070 0.127 0.000 2.495 216 H HA 0.285 4.842 4.556 0.001 0.000 0.287 216 H C 1.649 177.135 175.328 0.262 0.000 1.033 216 H CA 0.257 56.461 56.048 0.260 0.000 1.307 216 H CB -0.553 29.541 29.762 0.553 0.000 1.401 216 H HN 0.555 nan 8.280 nan 0.000 0.555 217 G N -0.527 108.425 108.800 0.252 0.000 2.140 217 G HA2 -0.170 3.791 3.960 0.001 0.000 0.211 217 G HA3 -0.170 3.791 3.960 0.001 0.000 0.211 217 G C -0.048 175.012 174.900 0.266 0.000 1.013 217 G CA 0.204 45.419 45.100 0.191 0.000 0.705 217 G HN 0.480 nan 8.290 nan 0.000 0.508 218 W N -0.956 120.434 121.300 0.150 0.000 2.882 218 W HA 0.875 5.535 4.660 0.001 0.000 0.345 218 W C -0.204 176.384 176.519 0.115 0.000 1.125 218 W CA -1.415 56.025 57.345 0.158 0.000 1.167 218 W CB 1.504 31.116 29.460 0.252 0.000 1.431 218 W HN 1.228 nan 8.180 nan 0.000 0.543 219 A N 2.305 125.333 122.820 0.346 0.000 2.590 219 A HA 0.770 5.090 4.320 0.001 0.000 0.294 219 A C -2.039 175.723 177.584 0.296 0.000 1.046 219 A CA -0.728 51.372 52.037 0.105 0.000 0.684 219 A CB 0.960 19.883 19.000 -0.128 0.000 1.279 219 A HN 1.152 nan 8.150 nan 0.000 0.415 220 F N -0.973 119.158 119.950 0.302 0.000 2.685 220 F HA 0.927 5.454 4.527 0.001 0.000 0.315 220 F C -0.217 175.777 175.800 0.323 0.000 1.126 220 F CA -0.314 57.883 58.000 0.327 0.000 0.950 220 F CB 1.419 40.729 39.000 0.516 0.000 1.360 220 F HN 0.925 nan 8.300 nan 0.000 0.469 221 T N -0.501 114.430 114.554 0.629 0.000 2.893 221 T HA 0.433 4.783 4.350 0.001 0.000 0.293 221 T C 0.647 175.722 174.700 0.624 0.000 1.027 221 T CA -0.754 61.630 62.100 0.475 0.000 0.988 221 T CB 1.538 70.544 68.868 0.229 0.000 1.043 221 T HN 0.663 nan 8.240 nan 0.000 0.461 222 I N 0.861 121.765 120.570 0.556 0.000 2.381 222 I HA -0.173 3.998 4.170 0.001 0.000 0.255 222 I C 2.493 178.849 176.117 0.399 0.000 1.140 222 I CA 1.554 63.145 61.300 0.485 0.000 1.404 222 I CB -1.025 37.214 38.000 0.397 0.000 1.075 222 I HN 0.831 nan 8.210 nan 0.000 0.433 223 R N 0.779 121.467 120.500 0.313 0.000 2.189 223 R HA -0.131 4.209 4.340 0.001 0.000 0.218 223 R C 2.120 178.555 176.300 0.225 0.000 1.074 223 R CA 0.848 57.089 56.100 0.234 0.000 0.991 223 R CB 0.102 30.508 30.300 0.177 0.000 0.883 223 R HN 0.459 nan 8.270 nan 0.000 0.457 224 Q N -0.768 119.203 119.800 0.285 0.000 2.096 224 Q HA -0.089 4.252 4.340 0.001 0.000 0.197 224 Q C 1.686 177.776 176.000 0.151 0.000 0.964 224 Q CA 1.287 57.203 55.803 0.189 0.000 0.838 224 Q CB -0.031 28.829 28.738 0.203 0.000 0.906 224 Q HN 0.257 nan 8.270 nan 0.000 0.444 225 F N 0.876 120.893 119.950 0.112 0.000 2.102 225 F HA -0.189 4.338 4.527 0.001 0.000 0.298 225 F C 2.361 178.264 175.800 0.171 0.000 1.105 225 F CA 1.298 59.365 58.000 0.112 0.000 1.239 225 F CB -0.584 38.546 39.000 0.216 0.000 0.991 225 F HN 0.059 nan 8.300 nan 0.000 0.474 226 A N -1.004 122.045 122.820 0.381 0.000 2.125 226 A HA -0.148 4.172 4.320 0.001 0.000 0.219 226 A C 2.104 179.769 177.584 0.136 0.000 1.156 226 A CA 2.061 54.254 52.037 0.259 0.000 0.671 226 A CB -1.139 17.987 19.000 0.211 0.000 0.794 226 A HN 0.389 nan 8.150 nan 0.000 0.459 227 T N -1.131 113.471 114.554 0.080 0.000 3.014 227 T HA 0.008 4.359 4.350 0.001 0.000 0.263 227 T C 2.078 176.737 174.700 -0.069 0.000 1.078 227 T CA 0.607 62.713 62.100 0.009 0.000 1.135 227 T CB -0.036 68.835 68.868 0.004 0.000 0.895 227 T HN 0.345 nan 8.240 nan 0.000 0.480 228 R N 0.651 121.064 120.500 -0.144 0.000 2.051 228 R HA 0.090 4.431 4.340 0.001 0.000 0.225 228 R C 1.520 177.614 176.300 -0.343 0.000 1.155 228 R CA 1.003 56.923 56.100 -0.300 0.000 0.945 228 R CB -0.825 29.186 30.300 -0.482 0.000 0.840 228 R HN 0.394 nan 8.270 nan 0.000 0.432 229 Y N 0.830 120.998 120.300 -0.220 0.000 2.621 229 Y HA -0.015 4.536 4.550 0.001 0.000 0.330 229 Y C 1.717 177.517 175.900 -0.167 0.000 1.219 229 Y CA 0.341 58.267 58.100 -0.291 0.000 1.286 229 Y CB -0.666 37.741 38.460 -0.088 0.000 1.053 229 Y HN 0.172 nan 8.280 nan 0.000 0.498 230 A N 0.190 122.985 122.820 -0.042 0.000 1.944 230 A HA 0.015 4.336 4.320 0.001 0.000 0.209 230 A C 2.174 179.737 177.584 -0.035 0.000 1.328 230 A CA 0.654 52.688 52.037 -0.005 0.000 0.693 230 A CB -0.044 18.957 19.000 0.001 0.000 0.994 230 A HN 0.391 nan 8.150 nan 0.000 0.485 231 K N 0.101 120.449 120.400 -0.088 0.000 1.974 231 K HA 0.021 4.342 4.320 0.001 0.000 0.211 231 K C 1.734 178.276 176.600 -0.097 0.000 1.039 231 K CA 1.090 57.332 56.287 -0.075 0.000 0.947 231 K CB -0.563 31.887 32.500 -0.083 0.000 0.735 231 K HN 0.142 nan 8.250 nan 0.000 0.441 232 K N -0.078 120.198 120.400 -0.207 0.000 2.108 232 K HA -0.221 4.099 4.320 0.001 0.000 0.219 232 K C 2.038 178.606 176.600 -0.054 0.000 1.054 232 K CA 2.444 58.581 56.287 -0.250 0.000 0.945 232 K CB -0.435 31.721 32.500 -0.574 0.000 0.728 232 K HN 0.205 nan 8.250 nan 0.000 0.462 233 F N -1.344 118.620 119.950 0.024 0.000 2.387 233 F HA 0.168 4.696 4.527 0.001 0.000 0.294 233 F C 1.552 177.368 175.800 0.026 0.000 1.093 233 F CA 0.792 58.807 58.000 0.025 0.000 1.420 233 F CB -0.310 38.701 39.000 0.018 0.000 1.086 233 F HN 0.281 nan 8.300 nan 0.000 0.531 234 G N 0.882 109.790 108.800 0.180 0.000 2.392 234 G HA2 -0.032 3.929 3.960 0.001 0.000 0.215 234 G HA3 -0.032 3.929 3.960 0.001 0.000 0.215 234 G C -0.715 174.251 174.900 0.111 0.000 1.097 234 G CA -0.090 45.079 45.100 0.116 0.000 0.840 234 G HN 0.199 nan 8.290 nan 0.000 0.492 235 V N 0.040 120.019 119.914 0.109 0.000 2.925 235 V HA 0.527 4.647 4.120 0.001 0.000 0.311 235 V C -0.194 175.930 176.094 0.051 0.000 1.104 235 V CA -1.176 61.174 62.300 0.083 0.000 0.954 235 V CB 2.044 33.931 31.823 0.107 0.000 1.022 235 V HN 0.293 nan 8.190 nan 0.000 0.427 236 D N 2.081 122.498 120.400 0.028 0.000 2.382 236 D HA 0.118 4.759 4.640 0.001 0.000 0.240 236 D C 0.908 177.217 176.300 0.016 0.000 1.146 236 D CA -0.046 53.964 54.000 0.017 0.000 0.897 236 D CB 1.029 41.834 40.800 0.007 0.000 1.197 236 D HN 0.730 nan 8.370 nan 0.000 0.432 237 K N 0.390 120.804 120.400 0.025 0.000 2.352 237 K HA 0.205 4.526 4.320 0.001 0.000 0.194 237 K C 1.479 178.101 176.600 0.036 0.000 1.038 237 K CA 0.162 56.473 56.287 0.040 0.000 1.023 237 K CB 0.210 32.741 32.500 0.053 0.000 0.840 237 K HN 0.234 nan 8.250 nan 0.000 0.519 238 A N 3.461 126.295 122.820 0.023 0.000 1.865 238 A HA -0.209 4.111 4.320 0.001 0.000 0.217 238 A C 1.956 179.544 177.584 0.007 0.000 1.191 238 A CA 1.955 54.004 52.037 0.021 0.000 0.623 238 A CB -0.471 18.537 19.000 0.013 0.000 0.826 238 A HN 0.541 nan 8.150 nan 0.000 0.444 239 K N -1.619 118.768 120.400 -0.022 0.000 2.459 239 K HA 0.140 4.461 4.320 0.001 0.000 0.193 239 K C 1.610 178.146 176.600 -0.106 0.000 1.030 239 K CA 0.964 57.213 56.287 -0.064 0.000 1.026 239 K CB -0.148 32.299 32.500 -0.087 0.000 0.809 239 K HN 0.364 nan 8.250 nan 0.000 0.504 240 M N 2.477 122.043 119.600 -0.057 0.000 2.248 240 M HA 0.059 4.540 4.480 0.001 0.000 0.265 240 M C 2.106 178.421 176.300 0.026 0.000 1.079 240 M CA 1.402 56.667 55.300 -0.057 0.000 1.150 240 M CB -0.176 32.436 32.600 0.019 0.000 1.366 240 M HN 0.311 nan 8.290 nan 0.000 0.433 241 M N -2.399 117.251 119.600 0.084 0.000 2.419 241 M HA -0.011 4.470 4.480 0.001 0.000 0.264 241 M C 1.457 177.843 176.300 0.144 0.000 1.082 241 M CA 1.723 57.117 55.300 0.156 0.000 1.119 241 M CB -0.896 31.804 32.600 0.166 0.000 1.398 241 M HN 0.143 nan 8.290 nan 0.000 0.453 242 D N 1.379 121.821 120.400 0.071 0.000 2.224 242 D HA -0.088 4.553 4.640 0.001 0.000 0.205 242 D C 1.962 178.299 176.300 0.062 0.000 0.965 242 D CA 1.027 55.064 54.000 0.063 0.000 0.852 242 D CB 0.094 40.900 40.800 0.009 0.000 0.947 242 D HN 0.496 nan 8.370 nan 0.000 0.494 243 R N -0.228 120.266 120.500 -0.010 0.000 2.100 243 R HA 0.117 4.457 4.340 0.001 0.000 0.220 243 R C 2.492 178.856 176.300 0.108 0.000 1.091 243 R CA 0.182 56.248 56.100 -0.056 0.000 0.986 243 R CB -0.111 29.959 30.300 -0.383 0.000 0.888 243 R HN 0.181 nan 8.270 nan 0.000 0.444 244 L N -0.124 121.219 121.223 0.200 0.000 2.556 244 L HA -0.139 4.201 4.340 0.001 0.000 0.230 244 L C 0.806 177.942 176.870 0.443 0.000 1.163 244 L CA 0.658 55.706 54.840 0.347 0.000 0.819 244 L CB -0.256 42.032 42.059 0.382 0.000 0.939 244 L HN 0.315 nan 8.230 nan 0.000 0.452 245 W N -0.265 121.112 121.300 0.128 0.000 2.950 245 W HA 0.448 5.108 4.660 0.000 0.000 0.340 245 W C 0.488 177.029 176.519 0.035 0.000 1.139 245 W CA 0.292 57.682 57.345 0.075 0.000 1.188 245 W CB 1.699 31.193 29.460 0.057 0.000 1.426 245 W HN 0.051 nan 8.180 nan 0.000 0.531 246 G N 3.067 111.463 108.800 -0.672 0.000 2.542 246 G HA2 -0.246 3.715 3.960 0.001 0.000 0.235 246 G HA3 -0.246 3.715 3.960 0.001 0.000 0.235 246 G C -0.712 173.983 174.900 -0.341 0.000 1.286 246 G CA -0.079 44.829 45.100 -0.319 0.000 0.904 246 G HN 0.485 nan 8.290 nan 0.000 0.577 247 D N 1.873 122.165 120.400 -0.179 0.000 2.524 247 D HA 0.520 5.160 4.640 0.001 0.000 0.222 247 D C -0.282 175.898 176.300 -0.201 0.000 1.142 247 D CA 0.453 54.323 54.000 -0.217 0.000 0.973 247 D CB 0.657 41.520 40.800 0.105 0.000 1.025 247 D HN 0.395 nan 8.370 nan 0.000 0.519 248 S N 1.234 116.620 115.700 -0.522 0.000 2.571 248 S HA 0.582 5.053 4.470 0.001 0.000 0.284 248 S C -0.684 173.703 174.600 -0.356 0.000 1.128 248 S CA -0.636 57.492 58.200 -0.120 0.000 0.970 248 S CB 1.197 64.437 63.200 0.066 0.000 1.039 248 S HN 0.160 nan 8.310 nan 0.000 0.485 249 F N 1.626 121.765 119.950 0.314 0.000 2.577 249 F HA 0.649 5.176 4.527 0.001 0.000 0.318 249 F C -0.677 175.163 175.800 0.066 0.000 1.065 249 F CA -1.042 57.047 58.000 0.150 0.000 0.929 249 F CB 1.293 40.299 39.000 0.009 0.000 1.237 249 F HN 0.510 nan 8.300 nan 0.000 0.468 250 F N 3.008 122.838 119.950 -0.200 0.000 2.430 250 F HA 0.364 4.891 4.527 0.001 0.000 0.362 250 F C -0.176 175.455 175.800 -0.283 0.000 1.103 250 F CA -0.858 56.798 58.000 -0.573 0.000 1.045 250 F CB 0.411 38.922 39.000 -0.816 0.000 1.276 250 F HN 0.404 nan 8.300 nan 0.000 0.444 251 N N 7.091 125.440 118.700 -0.584 0.000 2.454 251 N HA 0.090 4.831 4.740 0.001 0.000 0.260 251 N C -1.971 173.258 175.510 -0.468 0.000 1.218 251 N CA -1.112 51.692 53.050 -0.411 0.000 0.904 251 N CB 1.695 39.983 38.487 -0.332 0.000 1.065 251 N HN 0.318 nan 8.380 nan 0.000 0.462 252 P HA -0.080 nan 4.420 nan 0.000 0.214 252 P C 1.064 178.264 177.300 -0.166 0.000 1.162 252 P CA 1.373 64.383 63.100 -0.150 0.000 0.874 252 P CB 0.238 31.889 31.700 -0.082 0.000 0.784 253 K N -0.457 119.850 120.400 -0.155 0.000 2.283 253 K HA -0.080 4.241 4.320 0.001 0.000 0.202 253 K C 1.418 177.928 176.600 -0.150 0.000 1.048 253 K CA 1.764 57.974 56.287 -0.129 0.000 0.948 253 K CB -0.163 32.273 32.500 -0.106 0.000 0.742 253 K HN 0.230 nan 8.250 nan 0.000 0.458 254 T N -3.003 111.419 114.554 -0.219 0.000 2.969 254 T HA 0.151 4.502 4.350 0.001 0.000 0.250 254 T C 0.256 174.786 174.700 -0.284 0.000 1.021 254 T CA -0.370 61.601 62.100 -0.215 0.000 1.003 254 T CB 0.305 69.050 68.868 -0.205 0.000 1.040 254 T HN 0.044 nan 8.240 nan 0.000 0.492 255 K N 0.312 120.426 120.400 -0.477 0.000 3.129 255 K HA -0.142 4.179 4.320 0.001 0.000 0.273 255 K C -0.305 175.895 176.600 -0.667 0.000 1.123 255 K CA 0.747 56.659 56.287 -0.625 0.000 0.800 255 K CB -1.464 30.928 32.500 -0.181 0.000 1.238 255 K HN 0.569 nan 8.250 nan 0.000 0.492 256 K N -0.316 119.638 120.400 -0.743 0.000 2.328 256 K HA 0.462 4.782 4.320 0.001 0.000 0.246 256 K C -1.208 175.154 176.600 -0.397 0.000 0.955 256 K CA -0.589 55.470 56.287 -0.380 0.000 0.817 256 K CB 0.777 33.180 32.500 -0.162 0.000 1.208 256 K HN 0.125 nan 8.250 nan 0.000 0.432 257 W N 2.486 123.798 121.300 0.021 0.000 2.335 257 W HA 0.354 5.014 4.660 0.001 0.000 0.306 257 W C -0.292 176.283 176.519 0.095 0.000 1.216 257 W CA -0.162 57.269 57.345 0.145 0.000 1.237 257 W CB 1.571 31.156 29.460 0.208 0.000 1.243 257 W HN 0.349 nan 8.180 nan 0.000 0.493 258 T N 2.584 117.349 114.554 0.352 0.000 2.930 258 T HA 0.226 4.577 4.350 0.001 0.000 0.290 258 T C 0.559 175.479 174.700 0.367 0.000 1.052 258 T CA -0.842 61.407 62.100 0.247 0.000 1.017 258 T CB 1.699 70.620 68.868 0.088 0.000 1.137 258 T HN 0.325 nan 8.240 nan 0.000 0.511 259 N N 0.479 119.327 118.700 0.248 0.000 2.250 259 N HA 0.069 4.809 4.740 0.001 0.000 0.190 259 N C -0.245 175.396 175.510 0.219 0.000 1.116 259 N CA 0.243 53.463 53.050 0.284 0.000 0.881 259 N CB 0.693 39.282 38.487 0.170 0.000 1.006 259 N HN 0.587 nan 8.380 nan 0.000 0.491 260 K N 1.101 121.509 120.400 0.015 0.000 2.185 260 K HA 0.231 4.551 4.320 0.001 0.000 0.269 260 K C -0.284 175.960 176.600 -0.594 0.000 0.987 260 K CA -0.558 55.630 56.287 -0.164 0.000 0.865 260 K CB 1.052 33.480 32.500 -0.120 0.000 1.090 260 K HN -0.140 nan 8.250 nan 0.000 0.450 261 D N 0.430 120.361 120.400 -0.781 0.000 2.400 261 D HA -0.116 4.524 4.640 0.001 0.000 0.242 261 D C -0.240 175.667 176.300 -0.655 0.000 1.077 261 D CA 0.294 53.569 54.000 -1.208 0.000 0.943 261 D CB -0.269 40.190 40.800 -0.568 0.000 0.882 261 D HN 0.601 nan 8.370 nan 0.000 0.529 262 T N -2.498 111.787 114.554 -0.447 0.000 2.916 262 T HA 0.444 4.795 4.350 0.001 0.000 0.305 262 T C -0.812 173.762 174.700 -0.211 0.000 1.119 262 T CA -1.264 60.672 62.100 -0.273 0.000 1.008 262 T CB 2.172 70.928 68.868 -0.186 0.000 1.129 262 T HN 0.037 nan 8.240 nan 0.000 0.480 263 D N 1.130 121.430 120.400 -0.167 0.000 2.411 263 D HA 0.521 5.162 4.640 0.001 0.000 0.251 263 D C 1.745 177.984 176.300 -0.101 0.000 1.201 263 D CA -0.420 53.501 54.000 -0.131 0.000 0.996 263 D CB 0.235 40.961 40.800 -0.123 0.000 1.101 263 D HN 0.670 nan 8.370 nan 0.000 0.504 264 A N -0.032 122.738 122.820 -0.083 0.000 1.985 264 A HA -0.344 3.976 4.320 0.001 0.000 0.223 264 A C 1.994 179.540 177.584 -0.063 0.000 1.189 264 A CA 2.287 54.285 52.037 -0.066 0.000 0.658 264 A CB -1.040 17.926 19.000 -0.056 0.000 0.820 264 A HN 0.771 nan 8.150 nan 0.000 0.464 265 E N -2.510 117.649 120.200 -0.067 0.000 2.107 265 E HA 0.125 4.476 4.350 0.001 0.000 0.191 265 E C 1.337 177.899 176.600 -0.064 0.000 0.982 265 E CA 0.786 57.149 56.400 -0.061 0.000 0.809 265 E CB -0.077 29.586 29.700 -0.061 0.000 0.756 265 E HN 0.798 nan 8.360 nan 0.000 0.459 266 G N 1.226 109.979 108.800 -0.079 0.000 2.227 266 G HA2 -0.203 3.757 3.960 0.001 0.000 0.168 266 G HA3 -0.203 3.757 3.960 0.001 0.000 0.168 266 G C 0.082 174.927 174.900 -0.091 0.000 1.006 266 G CA -0.013 45.038 45.100 -0.082 0.000 0.684 266 G HN 0.155 nan 8.290 nan 0.000 0.489 267 K N 1.377 121.720 120.400 -0.095 0.000 2.326 267 K HA 0.463 4.784 4.320 0.001 0.000 0.275 267 K C -2.136 174.388 176.600 -0.127 0.000 1.018 267 K CA -1.480 54.749 56.287 -0.098 0.000 0.962 267 K CB 0.803 33.249 32.500 -0.091 0.000 0.953 267 K HN 0.025 nan 8.250 nan 0.000 0.475 268 P HA 0.010 nan 4.420 nan 0.000 0.269 268 P C -1.050 176.152 177.300 -0.164 0.000 1.217 268 P CA 0.118 63.131 63.100 -0.145 0.000 0.783 268 P CB 0.488 32.127 31.700 -0.103 0.000 0.898 269 L N 0.815 121.907 121.223 -0.218 0.000 2.385 269 L HA 0.399 4.740 4.340 0.001 0.000 0.273 269 L C 0.512 177.450 176.870 0.114 0.000 0.990 269 L CA -0.833 53.918 54.840 -0.148 0.000 0.821 269 L CB 1.915 43.749 42.059 -0.376 0.000 1.279 269 L HN 0.371 nan 8.230 nan 0.000 0.412 270 E N 3.470 123.734 120.200 0.106 0.000 2.366 270 E HA 0.168 4.519 4.350 0.001 0.000 0.266 270 E C -0.280 176.377 176.600 0.095 0.000 1.051 270 E CA -0.609 55.824 56.400 0.055 0.000 0.884 270 E CB 1.178 30.815 29.700 -0.106 0.000 1.006 270 E HN 0.409 nan 8.360 nan 0.000 0.417 271 R N 2.464 122.865 120.500 -0.165 0.000 2.543 271 R HA 0.118 4.459 4.340 0.001 0.000 0.277 271 R C 0.835 176.907 176.300 -0.380 0.000 1.074 271 R CA 0.595 56.392 56.100 -0.506 0.000 1.076 271 R CB 0.709 30.627 30.300 -0.637 0.000 0.993 271 R HN 0.745 nan 8.270 nan 0.000 0.459 272 A N 4.893 127.550 122.820 -0.273 0.000 1.948 272 A HA -0.232 4.089 4.320 0.001 0.000 0.220 272 A C 1.749 179.274 177.584 -0.098 0.000 1.177 272 A CA 1.352 53.361 52.037 -0.047 0.000 0.636 272 A CB -0.612 18.651 19.000 0.439 0.000 0.815 272 A HN 0.866 nan 8.150 nan 0.000 0.449 273 F N 1.637 121.440 119.950 -0.245 0.000 2.046 273 F HA -0.228 4.300 4.527 0.001 0.000 0.297 273 F C 1.945 177.604 175.800 -0.235 0.000 1.123 273 F CA 2.330 60.213 58.000 -0.195 0.000 1.199 273 F CB -0.588 38.264 39.000 -0.247 0.000 0.972 273 F HN 0.294 nan 8.300 nan 0.000 0.474 274 N N -0.232 118.310 118.700 -0.264 0.000 2.205 274 N HA -0.202 4.539 4.740 0.001 0.000 0.186 274 N C 1.945 177.234 175.510 -0.369 0.000 1.015 274 N CA 1.659 54.519 53.050 -0.318 0.000 0.862 274 N CB -0.368 37.951 38.487 -0.279 0.000 0.986 274 N HN 0.372 nan 8.380 nan 0.000 0.429 275 M N -0.881 118.430 119.600 -0.482 0.000 2.073 275 M HA -0.021 4.459 4.480 0.001 0.000 0.259 275 M C 0.697 176.630 176.300 -0.612 0.000 1.079 275 M CA 1.557 56.444 55.300 -0.690 0.000 1.131 275 M CB -0.009 31.863 32.600 -1.213 0.000 1.316 275 M HN 0.072 nan 8.290 nan 0.000 0.415 276 F N -1.204 118.687 119.950 -0.100 0.000 2.754 276 F HA 0.121 4.649 4.527 0.001 0.000 0.297 276 F C 1.459 177.405 175.800 0.243 0.000 1.122 276 F CA 0.073 58.077 58.000 0.008 0.000 1.400 276 F CB -0.443 38.320 39.000 -0.395 0.000 1.117 276 F HN 0.043 nan 8.300 nan 0.000 0.587 277 I N -0.517 119.991 120.570 -0.104 0.000 4.056 277 I HA 0.012 4.182 4.170 0.001 0.000 0.232 277 I C 2.137 178.048 176.117 -0.342 0.000 1.031 277 I CA 0.528 61.474 61.300 -0.589 0.000 1.571 277 I CB -1.085 35.998 38.000 -1.528 0.000 1.470 277 I HN -0.169 nan 8.210 nan 0.000 0.463 278 L N 0.673 121.601 121.223 -0.490 0.000 2.189 278 L HA -0.253 4.088 4.340 0.001 0.000 0.214 278 L C 1.979 178.909 176.870 0.100 0.000 1.097 278 L CA 1.716 56.493 54.840 -0.105 0.000 0.764 278 L CB -0.750 41.251 42.059 -0.097 0.000 0.900 278 L HN 0.417 nan 8.230 nan 0.000 0.436 279 D N -0.097 120.285 120.400 -0.030 0.000 2.077 279 D HA -0.116 4.524 4.640 0.001 0.000 0.196 279 D C -0.509 175.856 176.300 0.108 0.000 0.986 279 D CA 1.083 55.092 54.000 0.015 0.000 0.829 279 D CB -0.635 40.130 40.800 -0.058 0.000 0.983 279 D HN 0.063 nan 8.370 nan 0.000 0.453 280 P HA -0.138 nan 4.420 nan 0.000 0.216 280 P C 1.339 178.678 177.300 0.066 0.000 1.154 280 P CA 1.225 64.398 63.100 0.121 0.000 0.865 280 P CB -0.018 31.820 31.700 0.230 0.000 0.789 281 I N -2.746 117.895 120.570 0.119 0.000 2.163 281 I HA -0.218 3.952 4.170 0.001 0.000 0.240 281 I C 2.118 178.210 176.117 -0.043 0.000 1.081 281 I CA 1.298 62.607 61.300 0.016 0.000 1.353 281 I CB -0.718 37.251 38.000 -0.052 0.000 1.054 281 I HN -0.170 nan 8.210 nan 0.000 0.407 282 F N 1.391 121.269 119.950 -0.121 0.000 2.192 282 F HA -0.229 4.299 4.527 0.001 0.000 0.301 282 F C 2.677 178.488 175.800 0.018 0.000 1.079 282 F CA 1.424 59.372 58.000 -0.086 0.000 1.303 282 F CB -0.297 38.658 39.000 -0.076 0.000 1.024 282 F HN -0.039 nan 8.300 nan 0.000 0.494 283 R N 0.196 120.802 120.500 0.176 0.000 2.070 283 R HA -0.137 4.204 4.340 0.001 0.000 0.232 283 R C 2.319 178.665 176.300 0.077 0.000 1.138 283 R CA 1.456 57.618 56.100 0.103 0.000 0.936 283 R CB -1.306 29.024 30.300 0.049 0.000 0.839 283 R HN 0.330 nan 8.270 nan 0.000 0.429 284 L N -0.129 121.123 121.223 0.048 0.000 2.089 284 L HA -0.215 4.126 4.340 0.001 0.000 0.213 284 L C 2.535 179.448 176.870 0.072 0.000 1.079 284 L CA 1.549 56.398 54.840 0.015 0.000 0.758 284 L CB -0.525 41.506 42.059 -0.047 0.000 0.891 284 L HN 0.095 nan 8.230 nan 0.000 0.433 285 F N -0.199 119.681 119.950 -0.117 0.000 2.113 285 F HA -0.212 4.316 4.527 0.001 0.000 0.297 285 F C 2.661 178.403 175.800 -0.096 0.000 1.103 285 F CA 1.597 59.526 58.000 -0.118 0.000 1.248 285 F CB -0.372 38.530 39.000 -0.163 0.000 0.999 285 F HN 0.018 nan 8.300 nan 0.000 0.475 286 T N -0.321 114.319 114.554 0.142 0.000 2.777 286 T HA -0.129 4.221 4.350 0.001 0.000 0.266 286 T C 2.149 176.845 174.700 -0.008 0.000 1.040 286 T CA 1.066 63.206 62.100 0.068 0.000 1.141 286 T CB -0.570 68.359 68.868 0.102 0.000 0.868 286 T HN 0.285 nan 8.240 nan 0.000 0.444 287 A N 1.315 124.130 122.820 -0.008 0.000 1.855 287 A HA 0.039 4.359 4.320 0.001 0.000 0.215 287 A C 2.308 179.836 177.584 -0.093 0.000 1.191 287 A CA 1.140 53.155 52.037 -0.037 0.000 0.613 287 A CB -0.766 18.218 19.000 -0.026 0.000 0.829 287 A HN 0.481 nan 8.150 nan 0.000 0.442 288 I N -0.635 119.857 120.570 -0.129 0.000 2.252 288 I HA -0.205 3.965 4.170 0.001 0.000 0.245 288 I C 2.171 178.066 176.117 -0.371 0.000 1.102 288 I CA 0.977 62.159 61.300 -0.196 0.000 1.385 288 I CB -0.243 37.637 38.000 -0.200 0.000 1.064 288 I HN 0.242 nan 8.210 nan 0.000 0.414 289 M N 0.081 119.457 119.600 -0.373 0.000 2.630 289 M HA -0.075 4.406 4.480 0.001 0.000 0.254 289 M C 0.661 176.583 176.300 -0.630 0.000 1.092 289 M CA 1.274 56.274 55.300 -0.499 0.000 1.087 289 M CB -1.298 31.127 32.600 -0.292 0.000 1.453 289 M HN 0.201 nan 8.290 nan 0.000 0.509 290 N N -0.682 117.743 118.700 -0.459 0.000 2.204 290 N HA 0.157 4.898 4.740 0.001 0.000 0.219 290 N C -0.488 174.935 175.510 -0.145 0.000 1.151 290 N CA -0.046 52.837 53.050 -0.279 0.000 0.867 290 N CB 0.111 38.542 38.487 -0.092 0.000 1.043 290 N HN 0.026 nan 8.380 nan 0.000 0.516 291 F N 0.034 119.974 119.950 -0.016 0.000 3.105 291 F HA -0.309 4.219 4.527 0.001 0.000 0.280 291 F C 0.018 175.810 175.800 -0.012 0.000 0.894 291 F CA 0.400 58.390 58.000 -0.018 0.000 0.992 291 F CB -2.031 36.960 39.000 -0.015 0.000 1.047 291 F HN 0.062 nan 8.300 nan 0.000 0.607 292 K N 1.618 122.068 120.400 0.085 0.000 2.243 292 K HA 0.038 4.358 4.320 0.001 0.000 0.232 292 K C 1.402 178.031 176.600 0.049 0.000 1.237 292 K CA 0.135 56.458 56.287 0.061 0.000 1.161 292 K CB 0.004 32.521 32.500 0.028 0.000 1.505 292 K HN 0.534 nan 8.250 nan 0.000 0.271 293 K N 0.169 120.609 120.400 0.067 0.000 2.293 293 K HA -0.226 4.095 4.320 0.001 0.000 0.204 293 K C 0.471 177.086 176.600 0.025 0.000 1.045 293 K CA 1.466 57.781 56.287 0.046 0.000 0.933 293 K CB 0.074 32.601 32.500 0.046 0.000 0.736 293 K HN 0.269 nan 8.250 nan 0.000 0.463 294 D N 1.445 121.858 120.400 0.022 0.000 2.137 294 D HA -0.086 4.555 4.640 0.001 0.000 0.202 294 D C 1.767 178.072 176.300 0.008 0.000 0.970 294 D CA 1.101 55.109 54.000 0.013 0.000 0.837 294 D CB 0.056 40.864 40.800 0.014 0.000 0.981 294 D HN 0.479 nan 8.370 nan 0.000 0.475 295 E N 0.762 120.967 120.200 0.007 0.000 2.033 295 E HA -0.041 4.309 4.350 0.001 0.000 0.189 295 E C 2.474 179.068 176.600 -0.009 0.000 0.979 295 E CA 0.210 56.611 56.400 0.000 0.000 0.802 295 E CB 0.028 29.729 29.700 0.001 0.000 0.763 295 E HN 0.213 nan 8.360 nan 0.000 0.449 296 I N 2.183 122.747 120.570 -0.011 0.000 2.121 296 I HA -0.290 3.881 4.170 0.001 0.000 0.243 296 I C -0.416 175.685 176.117 -0.027 0.000 1.047 296 I CA 1.532 62.818 61.300 -0.024 0.000 1.308 296 I CB -1.697 36.294 38.000 -0.016 0.000 1.015 296 I HN 0.177 nan 8.210 nan 0.000 0.410 297 P HA -0.097 nan 4.420 nan 0.000 0.216 297 P C 1.930 179.218 177.300 -0.020 0.000 1.153 297 P CA 1.512 64.602 63.100 -0.017 0.000 0.848 297 P CB -0.051 31.645 31.700 -0.007 0.000 0.787 298 V N 0.313 120.218 119.914 -0.015 0.000 2.307 298 V HA -0.188 3.932 4.120 0.001 0.000 0.245 298 V C 2.731 178.811 176.094 -0.023 0.000 1.045 298 V CA 1.370 63.662 62.300 -0.014 0.000 1.024 298 V CB -1.406 30.413 31.823 -0.006 0.000 0.651 298 V HN 0.016 nan 8.190 nan 0.000 0.449 299 L N -0.569 120.636 121.223 -0.031 0.000 2.046 299 L HA -0.118 4.223 4.340 0.001 0.000 0.208 299 L C 2.162 178.984 176.870 -0.080 0.000 1.077 299 L CA 1.807 56.619 54.840 -0.048 0.000 0.747 299 L CB -0.826 41.203 42.059 -0.050 0.000 0.896 299 L HN 0.171 nan 8.230 nan 0.000 0.432 300 L N -0.199 120.976 121.223 -0.080 0.000 1.976 300 L HA -0.219 4.122 4.340 0.001 0.000 0.209 300 L C 2.615 179.439 176.870 -0.078 0.000 1.071 300 L CA 2.034 56.815 54.840 -0.099 0.000 0.746 300 L CB -0.988 41.028 42.059 -0.073 0.000 0.890 300 L HN 0.436 nan 8.230 nan 0.000 0.432 301 E N -0.497 119.674 120.200 -0.048 0.000 2.233 301 E HA -0.322 4.028 4.350 0.001 0.000 0.199 301 E C 2.181 178.761 176.600 -0.034 0.000 1.004 301 E CA 1.492 57.872 56.400 -0.034 0.000 0.819 301 E CB 0.030 29.718 29.700 -0.020 0.000 0.738 301 E HN 0.368 nan 8.360 nan 0.000 0.478 302 K N -0.094 120.281 120.400 -0.040 0.000 2.057 302 K HA -0.070 4.251 4.320 0.001 0.000 0.206 302 K C 1.848 178.419 176.600 -0.048 0.000 1.050 302 K CA 1.087 57.356 56.287 -0.031 0.000 0.935 302 K CB 0.052 32.537 32.500 -0.025 0.000 0.715 302 K HN 0.186 nan 8.250 nan 0.000 0.439 303 L N 0.766 121.933 121.223 -0.095 0.000 2.611 303 L HA 0.081 4.421 4.340 0.001 0.000 0.229 303 L C 0.224 177.054 176.870 -0.067 0.000 1.137 303 L CA 0.006 54.775 54.840 -0.118 0.000 0.901 303 L CB -0.054 41.822 42.059 -0.304 0.000 1.098 303 L HN 0.323 nan 8.230 nan 0.000 0.456 304 E N 1.803 121.971 120.200 -0.053 0.000 2.340 304 E HA -0.245 4.106 4.350 0.001 0.000 0.240 304 E C -0.587 176.005 176.600 -0.014 0.000 1.154 304 E CA 0.224 56.606 56.400 -0.030 0.000 0.717 304 E CB -1.133 28.550 29.700 -0.029 0.000 1.250 304 E HN 0.535 nan 8.360 nan 0.000 0.386 305 I N 2.187 122.738 120.570 -0.032 0.000 2.371 305 I HA 0.192 4.362 4.170 0.001 0.000 0.282 305 I C 0.550 176.658 176.117 -0.015 0.000 1.031 305 I CA -0.979 60.311 61.300 -0.016 0.000 1.180 305 I CB 1.380 39.347 38.000 -0.055 0.000 1.336 305 I HN 0.104 nan 8.210 nan 0.000 0.467 306 V N 5.807 125.721 119.914 -0.000 0.000 2.368 306 V HA 0.451 4.571 4.120 0.001 0.000 0.266 306 V C 0.100 176.196 176.094 0.004 0.000 1.045 306 V CA -0.612 61.687 62.300 -0.001 0.000 0.899 306 V CB 0.683 32.507 31.823 0.002 0.000 1.006 306 V HN 0.493 nan 8.190 nan 0.000 0.470 307 L N 4.501 125.723 121.223 -0.001 0.000 2.426 307 L HA 0.425 4.766 4.340 0.001 0.000 0.271 307 L C 0.834 177.707 176.870 0.005 0.000 1.169 307 L CA -0.148 54.694 54.840 0.003 0.000 0.836 307 L CB 0.670 42.728 42.059 -0.002 0.000 1.112 307 L HN 0.559 nan 8.230 nan 0.000 0.465 308 K N 2.429 122.834 120.400 0.009 0.000 2.296 308 K HA 0.239 4.560 4.320 0.001 0.000 0.257 308 K C 0.693 177.297 176.600 0.007 0.000 1.088 308 K CA 0.552 56.844 56.287 0.008 0.000 0.980 308 K CB 0.693 33.200 32.500 0.011 0.000 1.430 308 K HN 0.848 nan 8.250 nan 0.000 0.441 309 G N 4.025 112.828 108.800 0.005 0.000 2.952 309 G HA2 -0.484 3.477 3.960 0.001 0.000 0.346 309 G HA3 -0.484 3.477 3.960 0.001 0.000 0.346 309 G C 1.086 175.988 174.900 0.004 0.000 1.191 309 G CA 0.915 46.017 45.100 0.003 0.000 0.961 309 G HN 0.607 nan 8.290 nan 0.000 0.588 310 D N 1.358 121.761 120.400 0.004 0.000 2.172 310 D HA -0.076 4.565 4.640 0.001 0.000 0.196 310 D C 2.435 178.738 176.300 0.005 0.000 0.999 310 D CA 1.960 55.962 54.000 0.004 0.000 0.856 310 D CB -0.426 40.377 40.800 0.006 0.000 0.934 310 D HN 0.752 nan 8.370 nan 0.000 0.453 311 E N -0.114 120.089 120.200 0.006 0.000 2.204 311 E HA -0.125 4.225 4.350 0.001 0.000 0.194 311 E C 2.031 178.634 176.600 0.004 0.000 0.989 311 E CA 0.335 56.739 56.400 0.006 0.000 0.824 311 E CB -0.007 29.698 29.700 0.009 0.000 0.756 311 E HN 0.259 nan 8.360 nan 0.000 0.477 312 K N 1.210 121.612 120.400 0.003 0.000 2.211 312 K HA -0.201 4.120 4.320 0.001 0.000 0.204 312 K C 1.339 177.941 176.600 0.004 0.000 1.047 312 K CA 1.727 58.015 56.287 0.002 0.000 0.935 312 K CB 0.001 32.502 32.500 0.001 0.000 0.728 312 K HN 0.201 nan 8.250 nan 0.000 0.452 313 D N -0.727 119.675 120.400 0.004 0.000 2.348 313 D HA -0.021 4.619 4.640 0.001 0.000 0.211 313 D C 0.547 176.852 176.300 0.009 0.000 0.998 313 D CA -0.027 53.976 54.000 0.004 0.000 0.873 313 D CB -0.013 40.786 40.800 -0.001 0.000 0.925 313 D HN 0.031 nan 8.370 nan 0.000 0.524 314 L N 1.064 122.294 121.223 0.011 0.000 2.483 314 L HA 0.228 4.569 4.340 0.001 0.000 0.275 314 L C 0.566 177.460 176.870 0.041 0.000 1.220 314 L CA 0.299 55.150 54.840 0.018 0.000 0.833 314 L CB 0.330 42.395 42.059 0.009 0.000 1.102 314 L HN 0.299 nan 8.230 nan 0.000 0.490 315 E N 0.572 120.815 120.200 0.073 0.000 2.407 315 E HA 0.649 5.000 4.350 0.001 0.000 0.279 315 E C -0.172 176.568 176.600 0.235 0.000 1.012 315 E CA -0.505 56.000 56.400 0.175 0.000 0.800 315 E CB 1.766 31.608 29.700 0.237 0.000 1.276 315 E HN 0.721 nan 8.360 nan 0.000 0.452 316 G N 1.936 110.888 108.800 0.253 0.000 2.512 316 G HA2 -0.337 3.624 3.960 0.001 0.000 0.240 316 G HA3 -0.337 3.624 3.960 0.001 0.000 0.240 316 G C 0.410 175.264 174.900 -0.076 0.000 1.246 316 G CA 0.294 45.449 45.100 0.092 0.000 0.919 316 G HN 0.529 nan 8.290 nan 0.000 0.577 317 K N 0.389 120.742 120.400 -0.078 0.000 2.032 317 K HA 0.214 4.535 4.320 0.001 0.000 0.209 317 K C 3.151 179.671 176.600 -0.133 0.000 1.048 317 K CA 2.844 59.036 56.287 -0.158 0.000 0.927 317 K CB -1.036 31.392 32.500 -0.119 0.000 0.712 317 K HN 1.141 nan 8.250 nan 0.000 0.441 318 A N 0.921 123.708 122.820 -0.055 0.000 1.940 318 A HA -0.237 4.083 4.320 0.001 0.000 0.221 318 A C 2.105 179.665 177.584 -0.041 0.000 1.190 318 A CA 2.068 54.086 52.037 -0.033 0.000 0.647 318 A CB -0.755 18.245 19.000 0.001 0.000 0.821 318 A HN 0.292 nan 8.150 nan 0.000 0.457 319 L N -1.061 120.136 121.223 -0.043 0.000 1.993 319 L HA -0.005 4.336 4.340 0.001 0.000 0.206 319 L C 2.202 179.014 176.870 -0.096 0.000 1.074 319 L CA 2.181 56.992 54.840 -0.048 0.000 0.746 319 L CB -0.968 41.074 42.059 -0.027 0.000 0.896 319 L HN 0.294 nan 8.230 nan 0.000 0.435 320 L N 0.371 121.492 121.223 -0.170 0.000 2.034 320 L HA -0.301 4.040 4.340 0.001 0.000 0.217 320 L C 2.499 179.256 176.870 -0.189 0.000 1.077 320 L CA 2.151 56.836 54.840 -0.258 0.000 0.769 320 L CB -0.923 40.867 42.059 -0.450 0.000 0.890 320 L HN 0.389 nan 8.230 nan 0.000 0.435 321 K N -1.271 119.018 120.400 -0.186 0.000 2.032 321 K HA -0.159 4.161 4.320 0.001 0.000 0.209 321 K C 1.892 178.513 176.600 0.034 0.000 1.048 321 K CA 1.801 58.042 56.287 -0.076 0.000 0.927 321 K CB -0.415 32.033 32.500 -0.087 0.000 0.712 321 K HN 0.333 nan 8.250 nan 0.000 0.441 322 V N 0.976 120.895 119.914 0.008 0.000 2.427 322 V HA -0.185 3.935 4.120 0.001 0.000 0.248 322 V C 2.260 178.384 176.094 0.049 0.000 1.051 322 V CA 1.316 63.637 62.300 0.036 0.000 1.048 322 V CB -0.291 31.542 31.823 0.018 0.000 0.666 322 V HN 0.077 nan 8.190 nan 0.000 0.456 323 V N -0.587 119.337 119.914 0.016 0.000 2.307 323 V HA -0.253 3.867 4.120 0.001 0.000 0.245 323 V C 2.524 178.673 176.094 0.091 0.000 1.045 323 V CA 1.814 64.124 62.300 0.016 0.000 1.024 323 V CB -0.630 31.160 31.823 -0.056 0.000 0.651 323 V HN 0.391 nan 8.190 nan 0.000 0.449 324 M N -0.269 119.386 119.600 0.092 0.000 2.202 324 M HA -0.147 4.333 4.480 0.001 0.000 0.262 324 M C 2.331 178.812 176.300 0.302 0.000 1.063 324 M CA 1.718 57.115 55.300 0.162 0.000 1.097 324 M CB -1.114 31.510 32.600 0.040 0.000 1.382 324 M HN 0.354 nan 8.290 nan 0.000 0.413 325 R N -0.010 120.647 120.500 0.261 0.000 2.066 325 R HA -0.116 4.224 4.340 0.001 0.000 0.232 325 R C 2.283 178.698 176.300 0.192 0.000 1.131 325 R CA 1.199 57.445 56.100 0.243 0.000 0.955 325 R CB -0.354 30.056 30.300 0.182 0.000 0.851 325 R HN 0.294 nan 8.270 nan 0.000 0.432 326 K N 0.095 120.594 120.400 0.164 0.000 2.097 326 K HA -0.137 4.184 4.320 0.001 0.000 0.205 326 K C 1.801 178.514 176.600 0.188 0.000 1.050 326 K CA 1.009 57.379 56.287 0.138 0.000 0.938 326 K CB -0.132 32.429 32.500 0.101 0.000 0.718 326 K HN -0.025 nan 8.250 nan 0.000 0.442 327 F N 1.033 121.005 119.950 0.036 0.000 2.009 327 F HA 0.036 4.564 4.527 0.001 0.000 0.293 327 F C 0.420 176.253 175.800 0.055 0.000 1.156 327 F CA 1.220 59.226 58.000 0.011 0.000 1.168 327 F CB -0.057 38.933 39.000 -0.017 0.000 0.981 327 F HN -0.161 nan 8.300 nan 0.000 0.475 328 L N 1.873 123.084 121.223 -0.020 0.000 2.435 328 L HA 0.326 4.666 4.340 0.001 0.000 0.253 328 L C -2.468 174.522 176.870 0.200 0.000 1.087 328 L CA -1.912 52.916 54.840 -0.021 0.000 0.950 328 L CB 0.723 42.811 42.059 0.049 0.000 1.304 328 L HN -0.069 nan 8.230 nan 0.000 0.453 329 P HA -0.028 nan 4.420 nan 0.000 0.258 329 P C 0.914 178.290 177.300 0.126 0.000 1.214 329 P CA 0.239 63.420 63.100 0.134 0.000 0.872 329 P CB 1.090 32.840 31.700 0.084 0.000 0.890 330 A N 5.663 128.572 122.820 0.148 0.000 1.896 330 A HA -0.313 4.008 4.320 0.001 0.000 0.220 330 A C 2.217 179.819 177.584 0.031 0.000 1.206 330 A CA 2.531 54.614 52.037 0.077 0.000 0.647 330 A CB -1.598 17.422 19.000 0.033 0.000 0.828 330 A HN 0.468 nan 8.150 nan 0.000 0.455 331 A N -0.676 122.165 122.820 0.035 0.000 1.986 331 A HA -0.240 4.081 4.320 0.001 0.000 0.220 331 A C 1.757 179.349 177.584 0.014 0.000 1.171 331 A CA 1.929 53.977 52.037 0.018 0.000 0.640 331 A CB -0.585 18.432 19.000 0.028 0.000 0.811 331 A HN 0.625 nan 8.150 nan 0.000 0.451 332 D N -0.461 119.956 120.400 0.027 0.000 2.249 332 D HA 0.090 4.730 4.640 0.001 0.000 0.205 332 D C 2.195 178.507 176.300 0.020 0.000 0.962 332 D CA 1.038 55.051 54.000 0.021 0.000 0.860 332 D CB -0.081 40.736 40.800 0.028 0.000 0.955 332 D HN 0.474 nan 8.370 nan 0.000 0.505 333 A N 1.234 124.073 122.820 0.031 0.000 1.898 333 A HA -0.094 4.226 4.320 0.001 0.000 0.216 333 A C 2.352 179.927 177.584 -0.015 0.000 1.181 333 A CA 0.752 52.808 52.037 0.032 0.000 0.620 333 A CB -0.628 18.394 19.000 0.037 0.000 0.819 333 A HN 0.119 nan 8.150 nan 0.000 0.442 334 L N -0.605 120.596 121.223 -0.037 0.000 1.961 334 L HA -0.173 4.167 4.340 0.001 0.000 0.210 334 L C 2.541 179.384 176.870 -0.045 0.000 1.072 334 L CA 1.307 56.114 54.840 -0.056 0.000 0.749 334 L CB -0.915 41.109 42.059 -0.058 0.000 0.889 334 L HN 0.327 nan 8.230 nan 0.000 0.432 335 L N -0.173 121.029 121.223 -0.035 0.000 2.197 335 L HA -0.259 4.082 4.340 0.001 0.000 0.215 335 L C 2.666 179.495 176.870 -0.069 0.000 1.095 335 L CA 1.286 56.099 54.840 -0.045 0.000 0.764 335 L CB -0.594 41.446 42.059 -0.032 0.000 0.897 335 L HN 0.414 nan 8.230 nan 0.000 0.436 336 E N 0.399 120.570 120.200 -0.048 0.000 2.028 336 E HA -0.228 4.123 4.350 0.001 0.000 0.191 336 E C 2.370 178.929 176.600 -0.068 0.000 0.988 336 E CA 1.224 57.591 56.400 -0.055 0.000 0.799 336 E CB -0.019 29.678 29.700 -0.006 0.000 0.755 336 E HN 0.446 nan 8.360 nan 0.000 0.447 337 M N 0.415 120.007 119.600 -0.014 0.000 2.086 337 M HA -0.179 4.302 4.480 0.001 0.000 0.261 337 M C 2.447 178.743 176.300 -0.006 0.000 1.067 337 M CA 1.310 56.645 55.300 0.058 0.000 1.116 337 M CB -0.411 32.195 32.600 0.010 0.000 1.348 337 M HN 0.210 nan 8.290 nan 0.000 0.407 338 I N -0.295 120.239 120.570 -0.059 0.000 2.127 338 I HA -0.289 3.881 4.170 0.001 0.000 0.241 338 I C 2.376 178.402 176.117 -0.151 0.000 1.075 338 I CA 1.364 62.617 61.300 -0.079 0.000 1.334 338 I CB -0.536 37.422 38.000 -0.069 0.000 1.040 338 I HN 0.082 nan 8.210 nan 0.000 0.405 339 V N 0.898 120.669 119.914 -0.238 0.000 2.307 339 V HA -0.238 3.882 4.120 0.001 0.000 0.245 339 V C 2.251 178.054 176.094 -0.485 0.000 1.045 339 V CA 1.638 63.660 62.300 -0.463 0.000 1.024 339 V CB -0.469 31.003 31.823 -0.585 0.000 0.651 339 V HN 0.374 nan 8.190 nan 0.000 0.449 340 L N -1.115 119.859 121.223 -0.415 0.000 2.395 340 L HA -0.006 4.334 4.340 0.001 0.000 0.218 340 L C 2.218 178.650 176.870 -0.731 0.000 1.130 340 L CA 0.934 55.442 54.840 -0.554 0.000 0.826 340 L CB -0.371 41.326 42.059 -0.604 0.000 0.941 340 L HN 0.472 nan 8.230 nan 0.000 0.451 341 H N -1.869 117.134 119.070 -0.113 0.000 3.067 341 H HA 0.299 4.855 4.556 0.001 0.000 0.241 341 H C 0.759 176.049 175.328 -0.065 0.000 0.961 341 H CA -0.335 55.666 56.048 -0.079 0.000 1.123 341 H CB 0.628 30.343 29.762 -0.078 0.000 1.448 341 H HN 0.078 nan 8.280 nan 0.000 0.457 342 L N 4.998 126.234 121.223 0.021 0.000 2.456 342 L HA 0.124 4.464 4.340 0.001 0.000 0.272 342 L C -1.911 174.963 176.870 0.007 0.000 1.189 342 L CA -1.524 53.322 54.840 0.011 0.000 0.846 342 L CB 0.338 42.390 42.059 -0.012 0.000 1.111 342 L HN -0.060 nan 8.230 nan 0.000 0.475 343 P HA 0.068 nan 4.420 nan 0.000 0.275 343 P C -0.688 176.632 177.300 0.033 0.000 1.228 343 P CA -0.435 62.704 63.100 0.065 0.000 0.786 343 P CB 1.267 33.056 31.700 0.148 0.000 0.927 344 S N 2.178 117.895 115.700 0.028 0.000 2.632 344 S HA 0.341 4.812 4.470 0.001 0.000 0.271 344 S C -1.789 172.812 174.600 0.001 0.000 1.260 344 S CA -1.349 56.865 58.200 0.024 0.000 1.010 344 S CB 0.447 63.674 63.200 0.044 0.000 0.965 344 S HN 0.201 nan 8.310 nan 0.000 0.534 345 P HA -0.104 nan 4.420 nan 0.000 0.218 345 P C 1.339 178.618 177.300 -0.035 0.000 1.146 345 P CA 0.731 63.812 63.100 -0.032 0.000 0.813 345 P CB -0.129 31.539 31.700 -0.053 0.000 0.778 346 V N -0.903 119.000 119.914 -0.019 0.000 2.379 346 V HA -0.209 3.911 4.120 0.001 0.000 0.245 346 V C 2.221 178.298 176.094 -0.029 0.000 1.044 346 V CA 2.530 64.819 62.300 -0.017 0.000 1.036 346 V CB -1.857 29.967 31.823 0.003 0.000 0.664 346 V HN 0.199 nan 8.190 nan 0.000 0.453 347 T N 0.857 115.404 114.554 -0.012 0.000 2.701 347 T HA -0.082 4.269 4.350 0.001 0.000 0.263 347 T C 2.135 176.762 174.700 -0.121 0.000 1.040 347 T CA 1.533 63.644 62.100 0.019 0.000 1.147 347 T CB -0.556 68.367 68.868 0.092 0.000 0.865 347 T HN 0.518 nan 8.240 nan 0.000 0.426 348 A N 1.632 124.302 122.820 -0.250 0.000 1.902 348 A HA -0.155 4.165 4.320 0.001 0.000 0.217 348 A C 2.324 179.354 177.584 -0.924 0.000 1.181 348 A CA 1.432 52.969 52.037 -0.832 0.000 0.623 348 A CB -0.759 18.068 19.000 -0.289 0.000 0.818 348 A HN 0.561 nan 8.150 nan 0.000 0.443 349 Q N -0.704 118.874 119.800 -0.370 0.000 2.226 349 Q HA -0.076 4.264 4.340 0.001 0.000 0.204 349 Q C 2.318 178.181 176.000 -0.229 0.000 0.975 349 Q CA 0.999 56.675 55.803 -0.211 0.000 0.866 349 Q CB -0.364 28.365 28.738 -0.015 0.000 0.915 349 Q HN 0.712 nan 8.270 nan 0.000 0.440 350 A N 0.926 123.604 122.820 -0.236 0.000 1.933 350 A HA -0.189 4.132 4.320 0.001 0.000 0.218 350 A C 1.662 179.220 177.584 -0.044 0.000 1.175 350 A CA 1.456 53.433 52.037 -0.100 0.000 0.628 350 A CB -0.566 18.422 19.000 -0.021 0.000 0.814 350 A HN 0.622 nan 8.150 nan 0.000 0.444 351 Y N -3.386 116.915 120.300 0.002 0.000 2.458 351 Y HA 0.550 5.101 4.550 0.001 0.000 0.256 351 Y C 1.730 177.623 175.900 -0.011 0.000 1.159 351 Y CA 0.003 58.101 58.100 -0.003 0.000 1.261 351 Y CB -0.114 38.347 38.460 0.001 0.000 1.119 351 Y HN 0.105 nan 8.280 nan 0.000 0.524 352 R N 0.079 120.484 120.500 -0.158 0.000 2.307 352 R HA 0.363 4.704 4.340 0.001 0.000 0.200 352 R C 2.232 178.458 176.300 -0.122 0.000 0.893 352 R CA 0.729 56.778 56.100 -0.084 0.000 1.042 352 R CB 0.081 30.278 30.300 -0.172 0.000 1.059 352 R HN 0.362 nan 8.270 nan 0.000 0.530 353 A N 1.482 124.219 122.820 -0.138 0.000 1.859 353 A HA -0.256 4.065 4.320 0.001 0.000 0.217 353 A C 1.776 179.314 177.584 -0.078 0.000 1.198 353 A CA 1.744 53.693 52.037 -0.147 0.000 0.629 353 A CB -0.524 18.406 19.000 -0.117 0.000 0.830 353 A HN 0.365 nan 8.150 nan 0.000 0.446 354 E N -1.115 119.072 120.200 -0.023 0.000 2.130 354 E HA -0.280 4.071 4.350 0.001 0.000 0.196 354 E C 2.288 178.893 176.600 0.008 0.000 0.998 354 E CA 1.442 57.853 56.400 0.019 0.000 0.806 354 E CB -0.151 29.562 29.700 0.022 0.000 0.738 354 E HN 0.787 nan 8.360 nan 0.000 0.459 355 Q N 0.230 120.022 119.800 -0.015 0.000 2.167 355 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 355 Q C 1.857 177.820 176.000 -0.062 0.000 0.970 355 Q CA 0.820 56.608 55.803 -0.025 0.000 0.855 355 Q CB 0.184 28.916 28.738 -0.010 0.000 0.911 355 Q HN 0.295 nan 8.270 nan 0.000 0.438 356 L N -0.335 120.818 121.223 -0.117 0.000 2.592 356 L HA 0.130 4.470 4.340 0.001 0.000 0.227 356 L C -0.134 176.684 176.870 -0.087 0.000 1.127 356 L CA -0.222 54.496 54.840 -0.202 0.000 0.884 356 L CB 0.298 42.083 42.059 -0.457 0.000 1.065 356 L HN 0.155 nan 8.230 nan 0.000 0.457 357 Y N 0.909 121.113 120.300 -0.161 0.000 2.328 357 Y HA 0.233 4.783 4.550 0.001 0.000 0.336 357 Y C 0.739 176.599 175.900 -0.067 0.000 0.960 357 Y CA -1.187 56.851 58.100 -0.103 0.000 1.134 357 Y CB 0.992 39.391 38.460 -0.101 0.000 1.166 357 Y HN 0.034 nan 8.280 nan 0.000 0.464 358 E N 3.823 123.771 120.200 -0.419 0.000 2.335 358 E HA 0.217 4.567 4.350 0.001 0.000 0.191 358 E C 0.386 176.631 176.600 -0.591 0.000 1.077 358 E CA -0.073 56.118 56.400 -0.349 0.000 1.010 358 E CB 0.363 29.974 29.700 -0.150 0.000 1.141 358 E HN 0.834 nan 8.360 nan 0.000 0.452 359 G N 1.527 109.650 108.800 -1.128 0.000 3.107 359 G HA2 0.396 4.356 3.960 0.001 0.000 0.232 359 G HA3 0.396 4.356 3.960 0.001 0.000 0.232 359 G C -2.735 171.889 174.900 -0.460 0.000 1.339 359 G CA -1.375 43.018 45.100 -1.179 0.000 1.033 359 G HN -0.132 nan 8.290 nan 0.000 0.567 360 P HA 0.255 nan 4.420 nan 0.000 0.267 360 P C 0.569 177.925 177.300 0.094 0.000 1.205 360 P CA 0.268 63.345 63.100 -0.039 0.000 0.765 360 P CB 1.332 33.023 31.700 -0.015 0.000 0.828 361 A N 3.421 126.271 122.820 0.050 0.000 2.125 361 A HA -0.178 4.142 4.320 0.001 0.000 0.219 361 A C 1.139 178.745 177.584 0.038 0.000 1.156 361 A CA 1.864 53.936 52.037 0.059 0.000 0.671 361 A CB -0.879 18.137 19.000 0.027 0.000 0.794 361 A HN 0.638 nan 8.150 nan 0.000 0.459 362 D N -1.348 119.072 120.400 0.033 0.000 2.433 362 D HA 0.155 4.796 4.640 0.001 0.000 0.211 362 D C 0.328 176.641 176.300 0.022 0.000 1.114 362 D CA -0.045 53.966 54.000 0.018 0.000 0.837 362 D CB -0.435 40.373 40.800 0.013 0.000 0.984 362 D HN 0.358 nan 8.370 nan 0.000 0.505 363 D N 0.203 120.636 120.400 0.055 0.000 2.474 363 D HA 0.124 4.764 4.640 0.001 0.000 0.232 363 D C 1.614 177.917 176.300 0.005 0.000 1.177 363 D CA 0.661 54.707 54.000 0.077 0.000 0.876 363 D CB 1.015 41.959 40.800 0.239 0.000 1.208 363 D HN 0.075 nan 8.370 nan 0.000 0.464 364 A N 3.404 126.233 122.820 0.015 0.000 1.917 364 A HA -0.298 4.023 4.320 0.001 0.000 0.219 364 A C 1.908 179.447 177.584 -0.074 0.000 1.182 364 A CA 2.133 54.161 52.037 -0.015 0.000 0.633 364 A CB -0.763 18.244 19.000 0.011 0.000 0.819 364 A HN 0.781 nan 8.150 nan 0.000 0.448 365 N N -0.996 117.628 118.700 -0.126 0.000 2.135 365 N HA -0.115 4.625 4.740 0.001 0.000 0.186 365 N C 1.702 176.936 175.510 -0.460 0.000 1.027 365 N CA 1.282 54.172 53.050 -0.266 0.000 0.849 365 N CB -0.700 37.619 38.487 -0.280 0.000 1.002 365 N HN 0.563 nan 8.380 nan 0.000 0.425 366 C N 0.788 119.684 119.300 -0.674 0.000 2.401 366 C HA -0.075 4.385 4.460 0.001 0.000 0.276 366 C C 2.400 177.246 174.990 -0.240 0.000 1.233 366 C CA 0.659 59.352 59.018 -0.542 0.000 1.753 366 C CB -1.243 26.365 27.740 -0.220 0.000 2.029 366 C HN 0.410 nan 8.230 nan 0.000 0.478 367 I N 1.284 121.760 120.570 -0.156 0.000 2.179 367 I HA -0.172 3.998 4.170 0.001 0.000 0.242 367 I C 2.845 178.911 176.117 -0.086 0.000 1.088 367 I CA 1.672 62.919 61.300 -0.089 0.000 1.357 367 I CB -0.610 37.357 38.000 -0.055 0.000 1.051 367 I HN 0.406 nan 8.210 nan 0.000 0.409 368 A N 0.867 123.627 122.820 -0.100 0.000 2.024 368 A HA -0.161 4.159 4.320 0.001 0.000 0.220 368 A C 2.210 179.757 177.584 -0.061 0.000 1.164 368 A CA 1.303 53.298 52.037 -0.070 0.000 0.643 368 A CB -0.536 18.423 19.000 -0.067 0.000 0.806 368 A HN 0.342 nan 8.150 nan 0.000 0.451 369 I N -0.439 120.070 120.570 -0.102 0.000 2.235 369 I HA -0.152 4.018 4.170 0.001 0.000 0.241 369 I C 2.251 178.341 176.117 -0.044 0.000 1.085 369 I CA 1.366 62.628 61.300 -0.064 0.000 1.378 369 I CB -1.309 36.596 38.000 -0.158 0.000 1.076 369 I HN 0.331 nan 8.210 nan 0.000 0.415 370 K N 0.975 121.332 120.400 -0.072 0.000 2.044 370 K HA -0.171 4.150 4.320 0.001 0.000 0.210 370 K C 1.481 178.059 176.600 -0.037 0.000 1.049 370 K CA 1.473 57.726 56.287 -0.056 0.000 0.927 370 K CB -0.148 32.324 32.500 -0.047 0.000 0.713 370 K HN 0.330 nan 8.250 nan 0.000 0.443 371 N N 0.469 119.150 118.700 -0.031 0.000 2.461 371 N HA -0.062 4.679 4.740 0.001 0.000 0.188 371 N C 0.246 175.747 175.510 -0.015 0.000 1.134 371 N CA 0.390 53.428 53.050 -0.021 0.000 0.878 371 N CB -0.257 38.218 38.487 -0.020 0.000 0.972 371 N HN 0.211 nan 8.380 nan 0.000 0.456 372 C N 2.228 121.523 119.300 -0.009 0.000 3.860 372 C HA -0.242 4.218 4.460 0.001 0.000 0.292 372 C C 0.150 175.136 174.990 -0.007 0.000 1.445 372 C CA -0.327 58.693 59.018 0.003 0.000 2.040 372 C CB -2.499 25.239 27.740 -0.004 0.000 1.314 372 C HN 0.392 nan 8.230 nan 0.000 0.678 373 D N 1.379 121.773 120.400 -0.010 0.000 2.339 373 D HA 0.255 4.896 4.640 0.001 0.000 0.256 373 D C -0.342 175.951 176.300 -0.012 0.000 1.214 373 D CA -1.904 52.088 54.000 -0.013 0.000 0.877 373 D CB 0.935 41.725 40.800 -0.016 0.000 1.111 373 D HN 0.414 nan 8.370 nan 0.000 0.478 374 P HA -0.032 nan 4.420 nan 0.000 0.245 374 P C 0.318 177.609 177.300 -0.015 0.000 1.212 374 P CA 0.538 63.627 63.100 -0.017 0.000 0.774 374 P CB 0.368 32.054 31.700 -0.022 0.000 0.999 375 K N -0.551 119.841 120.400 -0.013 0.000 2.334 375 K HA 0.254 4.574 4.320 0.001 0.000 0.195 375 K C 1.320 177.914 176.600 -0.009 0.000 1.045 375 K CA -0.061 56.219 56.287 -0.011 0.000 1.004 375 K CB 0.194 32.688 32.500 -0.011 0.000 0.837 375 K HN 0.040 nan 8.250 nan 0.000 0.510 376 A N 1.999 124.813 122.820 -0.010 0.000 2.327 376 A HA 0.046 4.367 4.320 0.001 0.000 0.255 376 A C -0.181 177.400 177.584 -0.005 0.000 1.099 376 A CA -0.343 51.688 52.037 -0.010 0.000 0.801 376 A CB 0.140 19.129 19.000 -0.018 0.000 1.062 376 A HN 0.121 nan 8.150 nan 0.000 0.496 377 D N -0.350 120.049 120.400 -0.002 0.000 2.443 377 D HA 0.077 4.717 4.640 0.001 0.000 0.234 377 D C 0.197 176.503 176.300 0.009 0.000 1.172 377 D CA 0.324 54.328 54.000 0.006 0.000 0.878 377 D CB 0.352 41.161 40.800 0.014 0.000 1.204 377 D HN 0.370 nan 8.370 nan 0.000 0.453 378 L N 2.158 123.390 121.223 0.015 0.000 2.483 378 L HA 0.023 4.364 4.340 0.001 0.000 0.276 378 L C 0.053 176.952 176.870 0.048 0.000 1.213 378 L CA 0.711 55.566 54.840 0.024 0.000 0.843 378 L CB 0.218 42.287 42.059 0.016 0.000 1.107 378 L HN 0.293 nan 8.230 nan 0.000 0.487 379 M N 7.002 126.646 119.600 0.073 0.000 2.769 379 M HA 0.256 4.736 4.480 0.001 0.000 0.309 379 M C -1.194 175.223 176.300 0.195 0.000 1.427 379 M CA -0.110 55.267 55.300 0.127 0.000 0.657 379 M CB 0.656 33.316 32.600 0.099 0.000 1.947 379 M HN 0.486 nan 8.290 nan 0.000 0.396 380 L N 1.532 122.849 121.223 0.156 0.000 2.275 380 L HA 0.458 4.799 4.340 0.001 0.000 0.288 380 L C -1.260 175.750 176.870 0.233 0.000 1.046 380 L CA -0.614 54.315 54.840 0.148 0.000 0.805 380 L CB 1.179 43.267 42.059 0.049 0.000 1.193 380 L HN 0.474 nan 8.230 nan 0.000 0.426 381 Y N 5.035 125.432 120.300 0.162 0.000 2.385 381 Y HA 0.388 4.939 4.550 0.001 0.000 0.341 381 Y C -0.571 175.374 175.900 0.075 0.000 0.965 381 Y CA -0.589 57.619 58.100 0.179 0.000 1.180 381 Y CB 1.189 39.864 38.460 0.359 0.000 1.139 381 Y HN 0.267 nan 8.280 nan 0.000 0.502 382 V N 7.305 126.979 119.914 -0.401 0.000 2.372 382 V HA 0.046 4.167 4.120 0.001 0.000 0.261 382 V C 0.943 176.730 176.094 -0.511 0.000 1.055 382 V CA 0.681 62.786 62.300 -0.325 0.000 0.930 382 V CB 0.497 32.222 31.823 -0.162 0.000 1.031 382 V HN 0.997 nan 8.190 nan 0.000 0.479 383 S N 4.606 120.169 115.700 -0.229 0.000 2.395 383 S HA 0.024 4.495 4.470 0.001 0.000 0.225 383 S C 0.576 175.208 174.600 0.054 0.000 1.027 383 S CA 0.500 58.696 58.200 -0.007 0.000 0.965 383 S CB -0.002 63.363 63.200 0.274 0.000 0.812 383 S HN 0.858 nan 8.310 nan 0.000 0.482 384 K N -1.130 119.337 120.400 0.112 0.000 2.615 384 K HA 0.526 4.846 4.320 0.001 0.000 0.291 384 K C -1.534 175.138 176.600 0.120 0.000 1.017 384 K CA -1.027 55.310 56.287 0.084 0.000 0.882 384 K CB 0.667 33.231 32.500 0.106 0.000 1.522 384 K HN -0.073 nan 8.250 nan 0.000 0.412 385 M N 2.150 121.795 119.600 0.075 0.000 2.268 385 M HA 0.373 4.853 4.480 0.001 0.000 0.344 385 M C -0.992 175.453 176.300 0.241 0.000 1.106 385 M CA -1.006 54.389 55.300 0.157 0.000 1.010 385 M CB 1.339 33.976 32.600 0.062 0.000 1.649 385 M HN 0.592 nan 8.290 nan 0.000 0.443 386 V N 6.339 126.400 119.914 0.245 0.000 2.448 386 V HA 0.598 4.718 4.120 0.001 0.000 0.295 386 V C -2.448 173.611 176.094 -0.058 0.000 1.025 386 V CA -2.176 60.192 62.300 0.113 0.000 0.859 386 V CB 2.278 34.105 31.823 0.006 0.000 0.988 386 V HN 0.600 nan 8.190 nan 0.000 0.431 387 P HA 0.216 nan 4.420 nan 0.000 0.265 387 P C -0.526 176.441 177.300 -0.555 0.000 1.193 387 P CA 0.456 63.110 63.100 -0.743 0.000 0.765 387 P CB 0.421 31.831 31.700 -0.483 0.000 0.823 388 T N -1.951 112.201 114.554 -0.670 0.000 2.930 388 T HA 0.374 4.725 4.350 0.001 0.000 0.290 388 T C 1.188 175.655 174.700 -0.388 0.000 1.052 388 T CA -0.180 61.581 62.100 -0.564 0.000 1.017 388 T CB 1.229 69.521 68.868 -0.960 0.000 1.137 388 T HN 0.238 nan 8.240 nan 0.000 0.511 389 S N -0.362 115.181 115.700 -0.262 0.000 2.436 389 S HA -0.023 4.447 4.470 0.001 0.000 0.228 389 S C 0.754 175.266 174.600 -0.146 0.000 1.014 389 S CA 0.701 58.801 58.200 -0.167 0.000 0.950 389 S CB -0.769 62.374 63.200 -0.096 0.000 0.784 389 S HN 0.856 nan 8.310 nan 0.000 0.504 390 D N 2.583 122.886 120.400 -0.162 0.000 2.482 390 D HA 0.294 4.934 4.640 0.001 0.000 0.244 390 D C 0.154 176.395 176.300 -0.099 0.000 1.242 390 D CA 0.217 54.162 54.000 -0.091 0.000 1.097 390 D CB -0.538 40.248 40.800 -0.023 0.000 1.109 390 D HN 0.412 nan 8.370 nan 0.000 0.510 391 K N 1.351 121.702 120.400 -0.082 0.000 0.937 391 K HA -0.161 4.159 4.320 0.001 0.000 0.807 391 K C 0.491 177.024 176.600 -0.112 0.000 2.012 391 K CA 1.279 57.526 56.287 -0.066 0.000 1.378 391 K CB -1.300 31.182 32.500 -0.029 0.000 2.580 391 K HN 0.315 nan 8.250 nan 0.000 0.292 392 G N 1.205 109.965 108.800 -0.068 0.000 3.374 392 G HA2 0.122 4.082 3.960 0.001 0.000 0.252 392 G HA3 0.122 4.082 3.960 0.001 0.000 0.252 392 G C -0.248 174.627 174.900 -0.042 0.000 1.326 392 G CA -0.192 44.865 45.100 -0.071 0.000 1.133 392 G HN 0.363 nan 8.290 nan 0.000 0.528 393 R N 0.033 120.465 120.500 -0.112 0.000 2.441 393 R HA 0.378 4.719 4.340 0.001 0.000 0.284 393 R C -0.907 175.264 176.300 -0.214 0.000 1.070 393 R CA -0.326 55.763 56.100 -0.019 0.000 1.047 393 R CB 0.725 31.033 30.300 0.014 0.000 1.016 393 R HN 0.163 nan 8.270 nan 0.000 0.477 394 F N 1.672 121.596 119.950 -0.043 0.000 2.480 394 F HA 0.348 4.876 4.527 0.001 0.000 0.329 394 F C 0.006 175.911 175.800 0.175 0.000 1.091 394 F CA -0.846 57.133 58.000 -0.036 0.000 0.972 394 F CB 1.165 40.151 39.000 -0.023 0.000 1.150 394 F HN 0.228 nan 8.300 nan 0.000 0.467 395 Y N 1.294 121.677 120.300 0.138 0.000 2.387 395 Y HA 0.609 5.160 4.550 0.001 0.000 0.336 395 Y C 0.236 176.220 175.900 0.139 0.000 1.067 395 Y CA -2.314 55.852 58.100 0.109 0.000 1.114 395 Y CB 1.277 39.780 38.460 0.072 0.000 1.208 395 Y HN 0.596 nan 8.280 nan 0.000 0.458 396 A N 4.205 127.181 122.820 0.260 0.000 2.362 396 A HA 0.459 4.780 4.320 0.001 0.000 0.276 396 A C -1.187 176.515 177.584 0.197 0.000 1.153 396 A CA -0.271 51.872 52.037 0.177 0.000 0.813 396 A CB -0.366 18.688 19.000 0.091 0.000 1.081 396 A HN 0.558 nan 8.150 nan 0.000 0.507 397 F N 2.922 122.902 119.950 0.051 0.000 2.436 397 F HA 0.689 5.216 4.527 0.001 0.000 0.340 397 F C 0.451 176.263 175.800 0.020 0.000 1.113 397 F CA 0.463 58.486 58.000 0.039 0.000 1.022 397 F CB 1.459 40.486 39.000 0.044 0.000 1.128 397 F HN 0.845 nan 8.300 nan 0.000 0.466 398 G N 5.140 113.479 108.800 -0.769 0.000 2.500 398 G HA2 0.452 4.413 3.960 0.001 0.000 0.299 398 G HA3 0.452 4.413 3.960 0.001 0.000 0.299 398 G C -2.018 172.577 174.900 -0.508 0.000 1.242 398 G CA -1.152 43.636 45.100 -0.521 0.000 0.859 398 G HN 0.766 nan 8.290 nan 0.000 0.481 399 R N -0.574 119.775 120.500 -0.252 0.000 2.621 399 R HA 0.600 4.941 4.340 0.001 0.000 0.284 399 R C -1.405 174.701 176.300 -0.324 0.000 0.998 399 R CA -0.550 55.329 56.100 -0.368 0.000 0.895 399 R CB 2.261 32.228 30.300 -0.555 0.000 1.195 399 R HN 0.369 nan 8.270 nan 0.000 0.450 400 V N 6.182 125.912 119.914 -0.306 0.000 2.356 400 V HA 0.177 4.298 4.120 0.001 0.000 0.258 400 V C 0.356 176.313 176.094 -0.229 0.000 1.065 400 V CA 0.017 62.213 62.300 -0.174 0.000 0.935 400 V CB 0.450 32.204 31.823 -0.116 0.000 1.061 400 V HN 0.774 nan 8.190 nan 0.000 0.484 401 F N 2.767 122.710 119.950 -0.012 0.000 2.512 401 F HA 0.467 4.995 4.527 0.001 0.000 0.296 401 F C 1.256 177.028 175.800 -0.047 0.000 1.110 401 F CA 0.794 58.775 58.000 -0.033 0.000 1.446 401 F CB 0.276 39.258 39.000 -0.031 0.000 1.092 401 F HN 0.580 nan 8.300 nan 0.000 0.554 402 A N -1.233 121.654 122.820 0.110 0.000 2.605 402 A HA 0.606 4.927 4.320 0.001 0.000 0.294 402 A C 0.196 177.791 177.584 0.019 0.000 1.062 402 A CA -0.301 51.763 52.037 0.044 0.000 0.682 402 A CB 0.278 19.293 19.000 0.024 0.000 1.278 402 A HN 0.680 nan 8.150 nan 0.000 0.410 403 G N 0.005 108.805 108.800 0.001 0.000 2.697 403 G HA2 0.402 4.362 3.960 0.001 0.000 0.240 403 G HA3 0.402 4.362 3.960 0.001 0.000 0.240 403 G C 0.154 175.047 174.900 -0.012 0.000 1.346 403 G CA 0.553 45.650 45.100 -0.005 0.000 0.887 403 G HN 2.845 nan 8.290 nan 0.000 0.569 404 T N -3.676 110.869 114.554 -0.015 0.000 2.921 404 T HA 0.648 4.999 4.350 0.001 0.000 0.297 404 T C -0.271 174.416 174.700 -0.021 0.000 1.013 404 T CA 0.143 62.230 62.100 -0.023 0.000 0.990 404 T CB 1.744 70.597 68.868 -0.024 0.000 1.023 404 T HN 2.023 nan 8.240 nan 0.000 0.447 405 V N 3.480 123.378 119.914 -0.027 0.000 2.785 405 V HA 0.803 4.924 4.120 0.001 0.000 0.300 405 V C -0.722 175.355 176.094 -0.029 0.000 1.062 405 V CA -0.382 61.902 62.300 -0.026 0.000 1.029 405 V CB 0.888 32.693 31.823 -0.031 0.000 1.024 405 V HN 1.151 nan 8.190 nan 0.000 0.477 406 K N 3.361 123.745 120.400 -0.027 0.000 2.542 406 K HA 0.452 4.773 4.320 0.001 0.000 0.259 406 K C -0.803 175.781 176.600 -0.026 0.000 0.932 406 K CA -0.569 55.702 56.287 -0.026 0.000 0.820 406 K CB 1.545 34.032 32.500 -0.023 0.000 1.345 406 K HN 0.440 nan 8.250 nan 0.000 0.432 407 S N 0.671 116.354 115.700 -0.028 0.000 2.593 407 S HA 0.218 4.688 4.470 0.001 0.000 0.300 407 S C 1.320 175.907 174.600 -0.021 0.000 1.267 407 S CA 1.473 59.656 58.200 -0.028 0.000 1.065 407 S CB 0.105 63.288 63.200 -0.028 0.000 0.807 407 S HN 1.042 nan 8.310 nan 0.000 0.499 408 G N 2.231 111.019 108.800 -0.019 0.000 2.336 408 G HA2 -0.305 3.655 3.960 0.001 0.000 0.233 408 G HA3 -0.305 3.655 3.960 0.001 0.000 0.233 408 G C 0.182 175.073 174.900 -0.015 0.000 1.053 408 G CA 0.279 45.371 45.100 -0.014 0.000 0.625 408 G HN 0.808 nan 8.290 nan 0.000 0.511 409 Q N 1.434 121.223 119.800 -0.018 0.000 2.310 409 Q HA 0.267 4.607 4.340 0.001 0.000 0.315 409 Q C 0.199 176.185 176.000 -0.023 0.000 1.081 409 Q CA 0.615 56.406 55.803 -0.019 0.000 0.981 409 Q CB 0.265 28.991 28.738 -0.020 0.000 1.184 409 Q HN 0.488 nan 8.270 nan 0.000 0.389 410 K N 2.382 122.768 120.400 -0.025 0.000 2.143 410 K HA 0.463 4.783 4.320 0.001 0.000 0.272 410 K C -1.255 175.322 176.600 -0.039 0.000 1.001 410 K CA -0.581 55.686 56.287 -0.035 0.000 0.915 410 K CB 1.268 33.748 32.500 -0.033 0.000 1.047 410 K HN 0.473 nan 8.250 nan 0.000 0.458 411 V N 3.114 122.995 119.914 -0.054 0.000 3.130 411 V HA 0.428 4.549 4.120 0.001 0.000 0.310 411 V C -0.772 175.276 176.094 -0.077 0.000 1.158 411 V CA -1.110 61.158 62.300 -0.053 0.000 1.029 411 V CB 2.189 33.988 31.823 -0.041 0.000 1.057 411 V HN 0.729 nan 8.190 nan 0.000 0.436 412 R N 2.228 122.683 120.500 -0.076 0.000 2.196 412 R HA 0.554 4.895 4.340 0.001 0.000 0.340 412 R C -0.890 175.341 176.300 -0.116 0.000 1.043 412 R CA -0.236 55.795 56.100 -0.114 0.000 0.883 412 R CB 0.720 30.943 30.300 -0.129 0.000 1.078 412 R HN 0.536 nan 8.270 nan 0.000 0.462 413 I N 4.145 124.658 120.570 -0.095 0.000 2.281 413 I HA 0.069 4.240 4.170 0.001 0.000 0.293 413 I C 0.137 176.234 176.117 -0.032 0.000 1.085 413 I CA -0.158 61.131 61.300 -0.018 0.000 1.257 413 I CB 0.849 38.882 38.000 0.055 0.000 1.430 413 I HN 0.390 nan 8.210 nan 0.000 0.489 414 Q N 5.511 125.239 119.800 -0.120 0.000 2.390 414 Q HA 0.391 4.731 4.340 0.001 0.000 0.249 414 Q C 0.545 176.585 176.000 0.067 0.000 0.996 414 Q CA -0.491 55.179 55.803 -0.221 0.000 0.899 414 Q CB 1.740 30.206 28.738 -0.454 0.000 1.216 414 Q HN 0.789 nan 8.270 nan 0.000 0.465 415 G N 2.745 111.652 108.800 0.178 0.000 2.588 415 G HA2 0.115 4.075 3.960 0.001 0.000 0.278 415 G HA3 0.115 4.075 3.960 0.001 0.000 0.278 415 G C -1.684 173.357 174.900 0.236 0.000 1.307 415 G CA -1.165 44.078 45.100 0.240 0.000 1.016 415 G HN 0.344 nan 8.290 nan 0.000 0.503 416 P HA -0.156 nan 4.420 nan 0.000 0.218 416 P C 1.378 178.760 177.300 0.136 0.000 1.154 416 P CA 1.347 64.552 63.100 0.176 0.000 0.872 416 P CB 0.166 31.943 31.700 0.129 0.000 0.790 417 N N -2.880 115.900 118.700 0.134 0.000 2.412 417 N HA -0.053 4.688 4.740 0.001 0.000 0.184 417 N C 0.481 176.050 175.510 0.098 0.000 1.101 417 N CA 0.054 53.160 53.050 0.093 0.000 0.881 417 N CB -0.499 38.032 38.487 0.074 0.000 0.969 417 N HN 0.241 nan 8.380 nan 0.000 0.459 418 Y N 1.720 122.035 120.300 0.025 0.000 2.683 418 Y HA 0.083 4.633 4.550 0.001 0.000 0.340 418 Y C -0.058 175.823 175.900 -0.031 0.000 1.245 418 Y CA 0.130 58.225 58.100 -0.007 0.000 1.485 418 Y CB 0.553 39.017 38.460 0.007 0.000 1.328 418 Y HN -0.274 nan 8.280 nan 0.000 0.603 419 V N 8.046 127.314 119.914 -1.077 0.000 2.752 419 V HA 0.157 4.278 4.120 0.001 0.000 0.302 419 V C -1.930 173.484 176.094 -1.135 0.000 1.133 419 V CA -1.417 60.379 62.300 -0.840 0.000 0.919 419 V CB 1.872 33.458 31.823 -0.396 0.000 1.026 419 V HN 0.627 nan 8.190 nan 0.000 0.429 420 P HA -0.223 nan 4.420 nan 0.000 0.219 420 P C 1.532 178.643 177.300 -0.314 0.000 1.151 420 P CA 2.124 64.915 63.100 -0.514 0.000 0.850 420 P CB 0.291 31.708 31.700 -0.473 0.000 0.784 421 G N -0.375 108.245 108.800 -0.300 0.000 2.524 421 G HA2 -0.160 3.800 3.960 0.001 0.000 0.215 421 G HA3 -0.160 3.800 3.960 0.001 0.000 0.215 421 G C 0.668 175.482 174.900 -0.145 0.000 1.239 421 G CA 0.632 45.629 45.100 -0.172 0.000 0.798 421 G HN 0.264 nan 8.290 nan 0.000 0.557 422 K N -0.358 119.938 120.400 -0.173 0.000 2.155 422 K HA 0.356 4.677 4.320 0.001 0.000 0.237 422 K C 0.503 177.060 176.600 -0.072 0.000 1.040 422 K CA -0.350 55.871 56.287 -0.109 0.000 0.912 422 K CB 0.749 33.191 32.500 -0.096 0.000 1.137 422 K HN -0.028 nan 8.250 nan 0.000 0.498 423 K N 0.989 121.377 120.400 -0.019 0.000 2.399 423 K HA 0.027 4.347 4.320 0.001 0.000 0.204 423 K C -0.428 176.176 176.600 0.007 0.000 1.023 423 K CA -0.084 56.221 56.287 0.030 0.000 1.127 423 K CB 0.307 32.802 32.500 -0.009 0.000 0.856 423 K HN 0.516 nan 8.250 nan 0.000 0.514 424 D N 1.995 122.397 120.400 0.003 0.000 2.424 424 D HA -0.079 4.561 4.640 0.001 0.000 0.244 424 D C 0.354 176.680 176.300 0.044 0.000 1.134 424 D CA 0.853 54.849 54.000 -0.006 0.000 0.881 424 D CB 0.550 41.347 40.800 -0.004 0.000 1.191 424 D HN 0.084 nan 8.370 nan 0.000 0.445 425 D N 1.106 121.474 120.400 -0.052 0.000 2.870 425 D HA -0.205 4.435 4.640 0.001 0.000 0.228 425 D C -0.978 175.206 176.300 -0.195 0.000 1.147 425 D CA 0.314 54.296 54.000 -0.030 0.000 0.757 425 D CB -1.023 39.875 40.800 0.163 0.000 1.091 425 D HN 0.329 nan 8.370 nan 0.000 0.429 426 L N -0.071 120.856 121.223 -0.494 0.000 2.334 426 L HA 0.692 5.032 4.340 0.001 0.000 0.273 426 L C -0.918 175.430 176.870 -0.870 0.000 1.013 426 L CA -0.504 54.042 54.840 -0.490 0.000 0.816 426 L CB 1.314 43.225 42.059 -0.246 0.000 1.278 426 L HN -0.048 nan 8.230 nan 0.000 0.431 427 F N 5.502 125.365 119.950 -0.147 0.000 3.050 427 F HA 0.398 4.926 4.527 0.001 0.000 0.382 427 F C -0.149 175.463 175.800 -0.312 0.000 1.246 427 F CA -0.481 57.385 58.000 -0.224 0.000 1.217 427 F CB 0.439 39.259 39.000 -0.301 0.000 1.795 427 F HN 0.215 nan 8.300 nan 0.000 0.622 428 I N 4.045 124.548 120.570 -0.112 0.000 2.725 428 I HA -0.001 4.169 4.170 0.001 0.000 0.296 428 I C 0.153 176.176 176.117 -0.157 0.000 1.155 428 I CA 0.563 61.790 61.300 -0.121 0.000 1.450 428 I CB -0.390 37.559 38.000 -0.085 0.000 1.478 428 I HN 0.268 nan 8.210 nan 0.000 0.642 429 K N 4.589 124.854 120.400 -0.225 0.000 2.395 429 K HA 0.802 5.122 4.320 0.001 0.000 0.245 429 K C -0.659 175.860 176.600 -0.135 0.000 1.017 429 K CA -0.931 55.206 56.287 -0.251 0.000 0.852 429 K CB 2.086 34.234 32.500 -0.587 0.000 1.311 429 K HN 0.390 nan 8.250 nan 0.000 0.452 430 A N 1.529 124.304 122.820 -0.075 0.000 2.305 430 A HA 0.495 4.816 4.320 0.001 0.000 0.322 430 A C -0.073 177.503 177.584 -0.012 0.000 1.187 430 A CA -0.681 51.336 52.037 -0.035 0.000 0.825 430 A CB 0.126 19.116 19.000 -0.016 0.000 1.164 430 A HN 0.512 nan 8.150 nan 0.000 0.498 431 I N 3.291 123.851 120.570 -0.016 0.000 2.483 431 I HA -0.026 4.145 4.170 0.001 0.000 0.291 431 I C 1.423 177.533 176.117 -0.011 0.000 1.112 431 I CA 0.672 61.966 61.300 -0.010 0.000 1.350 431 I CB -0.395 37.592 38.000 -0.022 0.000 1.419 431 I HN 0.874 nan 8.210 nan 0.000 0.523 432 Q N 4.022 123.822 119.800 0.000 0.000 2.061 432 Q HA -0.128 4.213 4.340 0.001 0.000 0.204 432 Q C 0.602 176.582 176.000 -0.032 0.000 0.984 432 Q CA 1.533 57.333 55.803 -0.005 0.000 0.846 432 Q CB 0.196 28.940 28.738 0.010 0.000 0.902 432 Q HN 0.469 nan 8.270 nan 0.000 0.421 433 R N -0.941 119.520 120.500 -0.065 0.000 2.604 433 R HA 0.352 4.693 4.340 0.001 0.000 0.270 433 R C -2.051 174.183 176.300 -0.111 0.000 1.052 433 R CA -0.295 55.752 56.100 -0.087 0.000 0.902 433 R CB 2.011 32.244 30.300 -0.112 0.000 1.233 433 R HN -0.151 nan 8.270 nan 0.000 0.455 434 V N 4.941 124.806 119.914 -0.083 0.000 2.398 434 V HA 0.647 4.767 4.120 0.001 0.000 0.286 434 V C -0.425 175.627 176.094 -0.068 0.000 1.026 434 V CA -0.519 61.736 62.300 -0.075 0.000 0.868 434 V CB 1.462 33.255 31.823 -0.050 0.000 0.982 434 V HN 0.615 nan 8.190 nan 0.000 0.443 435 V N 3.495 123.367 119.914 -0.069 0.000 2.962 435 V HA 0.666 4.786 4.120 0.001 0.000 0.313 435 V C -0.689 175.417 176.094 0.020 0.000 1.099 435 V CA -1.080 61.203 62.300 -0.028 0.000 0.971 435 V CB 2.143 33.939 31.823 -0.045 0.000 1.028 435 V HN 0.609 nan 8.190 nan 0.000 0.430 436 L N 3.986 125.237 121.223 0.046 0.000 2.281 436 L HA 0.431 4.771 4.340 0.001 0.000 0.285 436 L C 0.340 177.275 176.870 0.109 0.000 1.074 436 L CA -0.502 54.381 54.840 0.071 0.000 0.817 436 L CB 1.273 43.371 42.059 0.065 0.000 1.168 436 L HN 0.575 nan 8.230 nan 0.000 0.434 437 M N 4.813 124.499 119.600 0.143 0.000 3.442 437 M HA 0.121 4.601 4.480 0.001 0.000 0.232 437 M C 0.088 176.439 176.300 0.085 0.000 1.508 437 M CA 0.238 55.626 55.300 0.146 0.000 1.647 437 M CB -0.318 32.426 32.600 0.241 0.000 1.126 437 M HN 0.547 nan 8.290 nan 0.000 0.557 438 M N 1.432 121.080 119.600 0.079 0.000 3.588 438 M HA 0.116 4.597 4.480 0.001 0.000 0.197 438 M C 1.417 177.671 176.300 -0.075 0.000 1.623 438 M CA 0.401 55.733 55.300 0.053 0.000 1.718 438 M CB -1.973 30.707 32.600 0.133 0.000 1.187 438 M HN 0.849 nan 8.290 nan 0.000 0.541 439 G N 2.224 110.968 108.800 -0.093 0.000 3.581 439 G HA2 -0.394 3.567 3.960 0.001 0.000 0.336 439 G HA3 -0.394 3.567 3.960 0.001 0.000 0.336 439 G C 1.167 175.903 174.900 -0.274 0.000 1.259 439 G CA 0.838 45.824 45.100 -0.191 0.000 1.001 439 G HN 0.535 nan 8.290 nan 0.000 0.662 440 R N -0.236 119.953 120.500 -0.517 0.000 2.282 440 R HA 0.425 4.766 4.340 0.001 0.000 0.195 440 R C 0.115 176.167 176.300 -0.413 0.000 0.909 440 R CA 0.074 55.847 56.100 -0.545 0.000 1.039 440 R CB 0.128 30.000 30.300 -0.714 0.000 1.015 440 R HN 0.296 nan 8.270 nan 0.000 0.513 441 F N -0.106 119.848 119.950 0.006 0.000 2.541 441 F HA 0.424 4.952 4.527 0.001 0.000 0.331 441 F C 0.123 175.952 175.800 0.049 0.000 1.057 441 F CA -1.866 56.147 58.000 0.021 0.000 0.975 441 F CB 1.024 40.033 39.000 0.016 0.000 1.246 441 F HN -0.332 nan 8.300 nan 0.000 0.484 442 V N -1.032 119.040 119.914 0.263 0.000 2.715 442 V HA 0.860 4.980 4.120 0.001 0.000 0.310 442 V C -1.217 174.964 176.094 0.145 0.000 1.054 442 V CA -0.702 61.711 62.300 0.188 0.000 0.928 442 V CB 1.809 33.761 31.823 0.216 0.000 1.007 442 V HN 0.757 nan 8.190 nan 0.000 0.437 443 E N 3.852 124.115 120.200 0.104 0.000 2.255 443 E HA 0.590 4.941 4.350 0.001 0.000 0.256 443 E C -2.963 173.660 176.600 0.038 0.000 0.887 443 E CA -2.182 54.261 56.400 0.072 0.000 0.782 443 E CB 2.235 31.982 29.700 0.078 0.000 1.214 443 E HN 0.652 nan 8.360 nan 0.000 0.417 444 P HA 0.062 nan 4.420 nan 0.000 0.262 444 P C -0.912 176.386 177.300 -0.003 0.000 1.182 444 P CA 0.070 63.169 63.100 -0.002 0.000 0.761 444 P CB 0.378 32.075 31.700 -0.004 0.000 0.795 445 I N 2.180 122.742 120.570 -0.013 0.000 2.722 445 I HA 0.247 4.418 4.170 0.001 0.000 0.295 445 I C 0.694 176.798 176.117 -0.022 0.000 1.161 445 I CA -0.488 60.803 61.300 -0.015 0.000 1.032 445 I CB 1.677 39.669 38.000 -0.013 0.000 1.244 445 I HN 0.238 nan 8.210 nan 0.000 0.421 446 D N 3.693 124.081 120.400 -0.021 0.000 2.106 446 D HA -0.121 4.520 4.640 0.001 0.000 0.194 446 D C -0.038 176.246 176.300 -0.025 0.000 0.988 446 D CA 1.898 55.885 54.000 -0.022 0.000 0.845 446 D CB 0.023 40.811 40.800 -0.020 0.000 0.990 446 D HN 0.782 nan 8.370 nan 0.000 0.448 447 D N -1.135 119.249 120.400 -0.026 0.000 2.497 447 D HA 0.328 4.969 4.640 0.001 0.000 0.243 447 D C -0.926 175.354 176.300 -0.033 0.000 1.039 447 D CA -0.720 53.263 54.000 -0.029 0.000 1.052 447 D CB 2.098 42.882 40.800 -0.026 0.000 1.344 447 D HN 0.168 nan 8.370 nan 0.000 0.553 448 C N 1.538 120.816 119.300 -0.037 0.000 2.679 448 C HA 0.461 4.921 4.460 0.001 0.000 0.354 448 C C -2.815 172.147 174.990 -0.046 0.000 1.067 448 C CA -1.024 57.968 59.018 -0.044 0.000 1.317 448 C CB 0.957 28.667 27.740 -0.050 0.000 1.843 448 C HN 0.471 nan 8.230 nan 0.000 0.459 449 P HA 0.314 nan 4.420 nan 0.000 0.274 449 P C -0.146 177.120 177.300 -0.056 0.000 1.237 449 P CA 0.204 63.278 63.100 -0.043 0.000 0.793 449 P CB 0.843 32.520 31.700 -0.039 0.000 0.977 450 A N 0.999 123.789 122.820 -0.050 0.000 2.561 450 A HA 0.375 4.696 4.320 0.001 0.000 0.234 450 A C 1.458 178.991 177.584 -0.085 0.000 1.055 450 A CA 1.121 53.119 52.037 -0.064 0.000 0.756 450 A CB -1.516 17.467 19.000 -0.029 0.000 0.986 450 A HN 0.899 nan 8.150 nan 0.000 0.505 451 G N 1.818 110.531 108.800 -0.144 0.000 2.307 451 G HA2 -0.197 3.764 3.960 0.001 0.000 0.210 451 G HA3 -0.197 3.764 3.960 0.001 0.000 0.210 451 G C 0.087 174.889 174.900 -0.162 0.000 1.005 451 G CA 0.229 45.243 45.100 -0.143 0.000 0.634 451 G HN 0.939 nan 8.290 nan 0.000 0.496 452 N N 0.059 118.669 118.700 -0.151 0.000 2.489 452 N HA 0.682 5.423 4.740 0.001 0.000 0.284 452 N C -0.653 174.749 175.510 -0.181 0.000 1.158 452 N CA -0.524 52.448 53.050 -0.130 0.000 0.965 452 N CB 1.419 39.856 38.487 -0.084 0.000 1.195 452 N HN 0.108 nan 8.380 nan 0.000 0.506 453 I N 1.643 122.128 120.570 -0.142 0.000 2.325 453 I HA 0.348 4.518 4.170 0.001 0.000 0.291 453 I C -0.464 175.566 176.117 -0.144 0.000 1.019 453 I CA -0.070 61.109 61.300 -0.201 0.000 1.302 453 I CB 0.344 38.291 38.000 -0.088 0.000 1.401 453 I HN 0.453 nan 8.210 nan 0.000 0.485 454 I N 4.765 125.203 120.570 -0.220 0.000 3.343 454 I HA 0.852 5.022 4.170 0.001 0.000 0.315 454 I C -0.264 175.806 176.117 -0.078 0.000 1.153 454 I CA -0.510 60.730 61.300 -0.101 0.000 0.952 454 I CB 2.374 40.321 38.000 -0.089 0.000 1.287 454 I HN 0.483 nan 8.210 nan 0.000 0.472 455 G N 3.003 111.810 108.800 0.011 0.000 2.591 455 G HA2 0.674 4.635 3.960 0.001 0.000 0.306 455 G HA3 0.674 4.635 3.960 0.001 0.000 0.306 455 G C -1.865 173.019 174.900 -0.026 0.000 1.334 455 G CA -0.520 44.618 45.100 0.063 0.000 0.981 455 G HN 0.532 nan 8.290 nan 0.000 0.491 456 L N 1.322 122.529 121.223 -0.028 0.000 2.346 456 L HA 0.634 4.974 4.340 0.001 0.000 0.274 456 L C -0.492 176.283 176.870 -0.159 0.000 1.007 456 L CA -1.258 53.535 54.840 -0.079 0.000 0.818 456 L CB 2.331 44.374 42.059 -0.026 0.000 1.284 456 L HN 0.172 nan 8.230 nan 0.000 0.424 457 V N 1.133 120.907 119.914 -0.233 0.000 2.384 457 V HA 0.680 4.801 4.120 0.001 0.000 0.287 457 V C 0.610 176.671 176.094 -0.055 0.000 1.020 457 V CA -0.054 62.062 62.300 -0.307 0.000 0.850 457 V CB 1.178 32.692 31.823 -0.515 0.000 0.987 457 V HN 1.040 nan 8.190 nan 0.000 0.436 458 G N 4.192 113.031 108.800 0.065 0.000 2.226 458 G HA2 -0.147 3.814 3.960 0.001 0.000 0.176 458 G HA3 -0.147 3.814 3.960 0.001 0.000 0.176 458 G C 0.019 175.034 174.900 0.191 0.000 1.042 458 G CA 0.168 45.338 45.100 0.117 0.000 0.732 458 G HN 0.660 nan 8.290 nan 0.000 0.494 459 I N -0.184 120.493 120.570 0.179 0.000 4.624 459 I HA 0.100 4.270 4.170 0.001 0.000 0.327 459 I C 2.096 178.261 176.117 0.079 0.000 1.295 459 I CA 0.582 62.043 61.300 0.269 0.000 1.267 459 I CB 0.157 38.271 38.000 0.189 0.000 1.249 459 I HN 0.184 nan 8.210 nan 0.000 0.440 460 D N 1.857 122.284 120.400 0.045 0.000 2.382 460 D HA -0.335 4.305 4.640 0.001 0.000 0.194 460 D C 1.666 177.837 176.300 -0.216 0.000 1.026 460 D CA 1.606 55.593 54.000 -0.022 0.000 0.913 460 D CB -0.532 40.334 40.800 0.109 0.000 0.894 460 D HN 0.520 nan 8.370 nan 0.000 0.453 461 Q N -0.767 118.762 119.800 -0.451 0.000 2.247 461 Q HA 0.120 4.460 4.340 0.001 0.000 0.205 461 Q C 0.198 175.571 176.000 -1.046 0.000 0.896 461 Q CA 0.059 55.438 55.803 -0.708 0.000 0.950 461 Q CB -0.054 28.205 28.738 -0.798 0.000 1.054 461 Q HN 0.399 nan 8.270 nan 0.000 0.482 462 F N -0.206 119.540 119.950 -0.340 0.000 2.815 462 F HA 0.376 4.904 4.527 0.001 0.000 0.328 462 F C 0.431 176.006 175.800 -0.375 0.000 0.982 462 F CA -0.242 57.361 58.000 -0.660 0.000 1.154 462 F CB 0.910 39.572 39.000 -0.564 0.000 0.980 462 F HN -0.106 nan 8.300 nan 0.000 0.603 463 L N 0.965 122.163 121.223 -0.042 0.000 2.333 463 L HA 0.325 4.666 4.340 0.001 0.000 0.280 463 L C 0.619 177.436 176.870 -0.089 0.000 1.004 463 L CA -0.564 54.273 54.840 -0.006 0.000 0.820 463 L CB 2.448 44.520 42.059 0.021 0.000 1.247 463 L HN 0.021 nan 8.230 nan 0.000 0.416 464 L N 3.486 124.663 121.223 -0.077 0.000 2.023 464 L HA -0.031 4.310 4.340 0.001 0.000 0.205 464 L C 1.645 178.305 176.870 -0.351 0.000 1.073 464 L CA 2.085 56.809 54.840 -0.194 0.000 0.745 464 L CB -0.123 41.885 42.059 -0.084 0.000 0.900 464 L HN 0.663 nan 8.230 nan 0.000 0.435 465 K N -3.198 116.932 120.400 -0.451 0.000 2.890 465 K HA 0.242 4.562 4.320 0.001 0.000 0.202 465 K C 0.014 176.461 176.600 -0.256 0.000 1.592 465 K CA 0.291 56.317 56.287 -0.435 0.000 1.197 465 K CB 0.809 32.869 32.500 -0.733 0.000 1.913 465 K HN 0.045 nan 8.250 nan 0.000 0.550 466 T N 0.378 114.797 114.554 -0.226 0.000 2.940 466 T HA 0.704 5.055 4.350 0.001 0.000 0.288 466 T C -0.344 174.345 174.700 -0.020 0.000 1.033 466 T CA -0.438 61.601 62.100 -0.102 0.000 1.033 466 T CB 1.916 70.791 68.868 0.011 0.000 1.079 466 T HN 0.446 nan 8.240 nan 0.000 0.496 467 G N 0.390 109.118 108.800 -0.119 0.000 2.328 467 G HA2 0.500 4.460 3.960 0.001 0.000 0.295 467 G HA3 0.500 4.460 3.960 0.001 0.000 0.295 467 G C -1.475 173.402 174.900 -0.039 0.000 1.413 467 G CA -0.680 44.415 45.100 -0.009 0.000 0.817 467 G HN 0.693 nan 8.290 nan 0.000 0.546 468 T N 0.340 114.940 114.554 0.076 0.000 2.841 468 T HA 0.640 4.990 4.350 0.001 0.000 0.283 468 T C -0.831 173.912 174.700 0.071 0.000 1.000 468 T CA -0.343 61.833 62.100 0.126 0.000 0.977 468 T CB 1.524 70.520 68.868 0.214 0.000 0.979 468 T HN 0.362 nan 8.240 nan 0.000 0.446 469 L N 3.548 124.816 121.223 0.074 0.000 2.322 469 L HA 0.738 5.078 4.340 0.001 0.000 0.281 469 L C 0.753 177.650 176.870 0.046 0.000 1.014 469 L CA -0.159 54.700 54.840 0.033 0.000 0.815 469 L CB 1.747 43.819 42.059 0.021 0.000 1.247 469 L HN 0.948 nan 8.230 nan 0.000 0.421 470 T N -2.206 112.356 114.554 0.013 0.000 2.696 470 T HA 0.620 4.970 4.350 0.001 0.000 0.291 470 T C 0.209 174.910 174.700 0.003 0.000 1.095 470 T CA -0.218 61.899 62.100 0.028 0.000 1.026 470 T CB 1.819 70.719 68.868 0.055 0.000 1.390 470 T HN 0.339 nan 8.240 nan 0.000 0.513 471 T N 0.028 114.591 114.554 0.015 0.000 2.992 471 T HA 0.347 4.698 4.350 0.001 0.000 0.255 471 T C 0.670 175.381 174.700 0.017 0.000 0.938 471 T CA 0.067 62.170 62.100 0.006 0.000 0.895 471 T CB 0.353 69.225 68.868 0.005 0.000 1.221 471 T HN 0.689 nan 8.240 nan 0.000 0.512 472 S N 1.834 117.556 115.700 0.037 0.000 2.505 472 S HA 0.174 4.645 4.470 0.001 0.000 0.276 472 S C 1.052 175.692 174.600 0.067 0.000 1.274 472 S CA -0.286 57.946 58.200 0.054 0.000 1.053 472 S CB 1.142 64.386 63.200 0.074 0.000 0.919 472 S HN 0.416 nan 8.310 nan 0.000 0.490 473 E N 2.538 122.772 120.200 0.057 0.000 2.338 473 E HA -0.080 4.270 4.350 0.001 0.000 0.197 473 E C 0.896 177.554 176.600 0.096 0.000 1.007 473 E CA 1.185 57.624 56.400 0.066 0.000 0.849 473 E CB 0.131 29.857 29.700 0.044 0.000 0.774 473 E HN 0.785 nan 8.360 nan 0.000 0.506 474 T N -2.162 112.453 114.554 0.103 0.000 3.293 474 T HA 0.558 4.909 4.350 0.001 0.000 0.276 474 T C -0.053 174.767 174.700 0.200 0.000 1.003 474 T CA -0.292 61.878 62.100 0.117 0.000 0.916 474 T CB 0.990 69.924 68.868 0.110 0.000 1.134 474 T HN 0.113 nan 8.240 nan 0.000 0.530 475 A N 1.471 124.423 122.820 0.220 0.000 2.252 475 A HA 0.641 4.961 4.320 0.001 0.000 0.309 475 A C -0.234 177.567 177.584 0.363 0.000 1.285 475 A CA -0.583 51.653 52.037 0.332 0.000 0.900 475 A CB 0.072 19.219 19.000 0.244 0.000 1.157 475 A HN 0.612 nan 8.150 nan 0.000 0.536 476 H N 1.355 120.581 119.070 0.259 0.000 2.703 476 H HA 0.182 4.739 4.556 0.001 0.000 0.377 476 H C 0.586 176.020 175.328 0.176 0.000 1.392 476 H CA 0.338 56.438 56.048 0.087 0.000 1.458 476 H CB 0.449 30.045 29.762 -0.276 0.000 1.529 476 H HN 0.666 nan 8.280 nan 0.000 0.619 477 N N 0.389 119.238 118.700 0.247 0.000 2.445 477 N HA 0.146 4.887 4.740 0.001 0.000 0.264 477 N C -0.164 175.463 175.510 0.194 0.000 1.227 477 N CA -0.163 53.035 53.050 0.246 0.000 0.963 477 N CB 0.734 39.362 38.487 0.234 0.000 1.188 477 N HN 0.405 nan 8.380 nan 0.000 0.491 478 M N 0.544 120.300 119.600 0.261 0.000 2.342 478 M HA 0.142 4.623 4.480 0.001 0.000 0.332 478 M C 0.457 176.852 176.300 0.158 0.000 1.166 478 M CA -0.803 54.610 55.300 0.187 0.000 1.086 478 M CB 0.692 33.392 32.600 0.167 0.000 1.541 478 M HN 0.271 nan 8.290 nan 0.000 0.462 479 K N 2.478 122.893 120.400 0.024 0.000 2.327 479 K HA -0.039 4.282 4.320 0.001 0.000 0.254 479 K C -0.823 175.883 176.600 0.177 0.000 1.251 479 K CA 0.111 56.422 56.287 0.040 0.000 1.261 479 K CB -0.938 31.536 32.500 -0.044 0.000 0.766 479 K HN 0.480 nan 8.250 nan 0.000 0.510 480 V N 2.738 122.771 119.914 0.198 0.000 2.775 480 V HA 0.323 4.443 4.120 0.001 0.000 0.299 480 V C 0.361 176.595 176.094 0.232 0.000 1.062 480 V CA -0.364 62.090 62.300 0.256 0.000 1.063 480 V CB 0.996 32.936 31.823 0.195 0.000 0.994 480 V HN 0.639 nan 8.190 nan 0.000 0.483 481 M N 4.385 124.153 119.600 0.280 0.000 2.055 481 M HA 0.412 4.892 4.480 0.001 0.000 0.346 481 M C 0.040 176.504 176.300 0.273 0.000 1.074 481 M CA -0.332 55.120 55.300 0.253 0.000 1.009 481 M CB 0.984 33.748 32.600 0.273 0.000 1.423 481 M HN 0.709 nan 8.290 nan 0.000 0.410 482 K N 3.262 123.772 120.400 0.184 0.000 2.527 482 K HA 0.236 4.557 4.320 0.001 0.000 0.278 482 K C -0.778 175.942 176.600 0.201 0.000 0.981 482 K CA 0.685 57.042 56.287 0.117 0.000 1.009 482 K CB 0.334 32.860 32.500 0.043 0.000 0.895 482 K HN 0.518 nan 8.250 nan 0.000 0.493 483 F N -1.745 118.240 119.950 0.057 0.000 2.628 483 F HA 0.394 4.922 4.527 0.001 0.000 0.309 483 F C -0.739 175.093 175.800 0.053 0.000 1.108 483 F CA -1.086 56.939 58.000 0.042 0.000 0.971 483 F CB 1.044 40.063 39.000 0.031 0.000 1.279 483 F HN 0.417 nan 8.300 nan 0.000 0.441 484 S N 1.128 116.892 115.700 0.107 0.000 2.638 484 S HA 0.775 5.246 4.470 0.001 0.000 0.298 484 S C -0.535 174.164 174.600 0.165 0.000 1.111 484 S CA -0.389 57.851 58.200 0.067 0.000 1.027 484 S CB 1.804 65.109 63.200 0.176 0.000 1.064 484 S HN 0.882 nan 8.310 nan 0.000 0.525 485 V N 0.612 120.602 119.914 0.125 0.000 3.346 485 V HA 0.240 4.361 4.120 0.001 0.000 0.309 485 V C 0.116 176.240 176.094 0.050 0.000 1.457 485 V CA -0.327 62.045 62.300 0.120 0.000 1.069 485 V CB -0.049 31.868 31.823 0.157 0.000 0.944 485 V HN 0.850 nan 8.190 nan 0.000 0.449 486 S N 3.410 119.116 115.700 0.009 0.000 2.430 486 S HA 0.319 4.789 4.470 0.001 0.000 0.282 486 S C -2.485 172.003 174.600 -0.186 0.000 1.186 486 S CA -0.669 57.427 58.200 -0.174 0.000 1.060 486 S CB 0.568 63.431 63.200 -0.562 0.000 0.966 486 S HN 0.222 nan 8.310 nan 0.000 0.501 487 P HA 0.111 nan 4.420 nan 0.000 0.273 487 P C 0.642 177.883 177.300 -0.097 0.000 1.319 487 P CA -0.242 62.843 63.100 -0.025 0.000 0.885 487 P CB 0.339 32.071 31.700 0.055 0.000 1.015 488 V N 2.105 121.931 119.914 -0.148 0.000 3.528 488 V HA 0.198 4.319 4.120 0.001 0.000 0.294 488 V C 0.374 176.404 176.094 -0.107 0.000 1.404 488 V CA -0.067 62.092 62.300 -0.235 0.000 1.065 488 V CB 0.022 31.548 31.823 -0.494 0.000 0.904 488 V HN 0.189 nan 8.190 nan 0.000 0.435 489 V N 0.491 120.412 119.914 0.012 0.000 2.686 489 V HA 0.839 4.960 4.120 0.001 0.000 0.306 489 V C -0.906 175.262 176.094 0.122 0.000 1.065 489 V CA -0.502 61.860 62.300 0.103 0.000 0.894 489 V CB 1.362 33.287 31.823 0.170 0.000 1.004 489 V HN 0.681 nan 8.190 nan 0.000 0.424 490 Q N 3.070 122.945 119.800 0.125 0.000 2.511 490 Q HA 0.918 5.258 4.340 0.001 0.000 0.289 490 Q C -1.298 174.746 176.000 0.073 0.000 1.021 490 Q CA -0.986 54.875 55.803 0.097 0.000 0.785 490 Q CB 2.861 31.663 28.738 0.108 0.000 1.472 490 Q HN 1.344 nan 8.270 nan 0.000 0.411 491 V N -3.634 116.299 119.914 0.031 0.000 3.160 491 V HA 0.962 5.082 4.120 0.001 0.000 0.310 491 V C -0.984 175.101 176.094 -0.014 0.000 1.181 491 V CA -0.779 61.529 62.300 0.014 0.000 1.047 491 V CB 1.604 33.434 31.823 0.012 0.000 1.068 491 V HN 1.024 nan 8.190 nan 0.000 0.441 492 A N 1.499 124.314 122.820 -0.009 0.000 2.273 492 A HA 0.765 5.086 4.320 0.001 0.000 0.320 492 A C -0.533 177.048 177.584 -0.005 0.000 1.358 492 A CA -0.508 51.523 52.037 -0.011 0.000 0.910 492 A CB 0.635 19.632 19.000 -0.005 0.000 1.159 492 A HN 1.284 nan 8.150 nan 0.000 0.526 493 V N 4.040 123.952 119.914 -0.002 0.000 2.275 493 V HA 0.288 4.409 4.120 0.001 0.000 0.272 493 V C 0.308 176.421 176.094 0.033 0.000 1.028 493 V CA -0.281 62.022 62.300 0.006 0.000 0.810 493 V CB 0.629 32.446 31.823 -0.011 0.000 1.043 493 V HN 1.004 nan 8.190 nan 0.000 0.453 494 E N 3.497 123.716 120.200 0.032 0.000 2.259 494 E HA 0.691 5.042 4.350 0.001 0.000 0.257 494 E C -0.398 176.223 176.600 0.034 0.000 0.998 494 E CA -0.615 55.814 56.400 0.050 0.000 0.866 494 E CB 2.405 32.126 29.700 0.035 0.000 1.220 494 E HN 0.433 nan 8.360 nan 0.000 0.415 495 V N -0.077 119.860 119.914 0.038 0.000 3.513 495 V HA 0.479 4.600 4.120 0.001 0.000 0.297 495 V C 0.420 176.524 176.094 0.018 0.000 1.058 495 V CA -0.148 62.168 62.300 0.026 0.000 1.003 495 V CB 1.339 33.178 31.823 0.028 0.000 1.236 495 V HN 0.887 nan 8.190 nan 0.000 0.436 496 K N -0.803 119.606 120.400 0.014 0.000 2.726 496 K HA 0.265 4.586 4.320 0.001 0.000 0.189 496 K C -0.163 176.443 176.600 0.010 0.000 1.691 496 K CA 0.213 56.506 56.287 0.010 0.000 1.250 496 K CB 0.374 32.878 32.500 0.008 0.000 1.705 496 K HN 0.743 nan 8.250 nan 0.000 0.606 497 N N 1.461 120.167 118.700 0.010 0.000 2.524 497 N HA 0.297 5.038 4.740 0.001 0.000 0.261 497 N C -0.465 175.051 175.510 0.010 0.000 0.998 497 N CA 0.272 53.328 53.050 0.009 0.000 0.915 497 N CB 1.889 40.380 38.487 0.008 0.000 1.187 497 N HN 0.236 nan 8.380 nan 0.000 0.507 498 A N 1.886 124.712 122.820 0.011 0.000 2.209 498 A HA -0.071 4.249 4.320 0.001 0.000 0.212 498 A C 1.582 179.172 177.584 0.009 0.000 1.158 498 A CA 0.672 52.716 52.037 0.012 0.000 0.742 498 A CB -0.131 18.876 19.000 0.012 0.000 0.790 498 A HN 0.505 nan 8.150 nan 0.000 0.472 499 N N 0.356 119.060 118.700 0.008 0.000 2.216 499 N HA -0.092 4.648 4.740 0.001 0.000 0.183 499 N C 0.146 175.660 175.510 0.007 0.000 1.017 499 N CA 1.407 54.461 53.050 0.007 0.000 0.861 499 N CB -0.165 38.325 38.487 0.006 0.000 0.986 499 N HN 0.434 nan 8.380 nan 0.000 0.428 500 D N 0.015 120.420 120.400 0.008 0.000 2.462 500 D HA 0.157 4.797 4.640 0.001 0.000 0.221 500 D C 1.533 177.840 176.300 0.010 0.000 1.173 500 D CA -0.165 53.841 54.000 0.010 0.000 0.831 500 D CB 0.542 41.349 40.800 0.011 0.000 1.001 500 D HN 0.092 nan 8.370 nan 0.000 0.499 501 L N 0.734 121.962 121.223 0.009 0.000 2.023 501 L HA 0.064 4.405 4.340 0.001 0.000 0.205 501 L C -0.894 175.976 176.870 -0.000 0.000 1.073 501 L CA 1.152 55.996 54.840 0.006 0.000 0.745 501 L CB -0.704 41.362 42.059 0.011 0.000 0.900 501 L HN -0.051 nan 8.230 nan 0.000 0.435 502 P HA -0.225 nan 4.420 nan 0.000 0.218 502 P C 0.904 178.202 177.300 -0.004 0.000 1.147 502 P CA 1.440 64.539 63.100 -0.002 0.000 0.827 502 P CB -0.074 31.627 31.700 0.002 0.000 0.778 503 K N -1.557 118.846 120.400 0.005 0.000 2.296 503 K HA -0.010 4.311 4.320 0.001 0.000 0.200 503 K C 1.825 178.439 176.600 0.022 0.000 1.048 503 K CA 0.571 56.870 56.287 0.020 0.000 0.966 503 K CB -0.888 31.629 32.500 0.029 0.000 0.754 503 K HN 0.219 nan 8.250 nan 0.000 0.466 504 L N 0.747 121.965 121.223 -0.008 0.000 2.004 504 L HA -0.096 4.245 4.340 0.001 0.000 0.205 504 L C 2.092 178.881 176.870 -0.135 0.000 1.089 504 L CA 1.248 56.057 54.840 -0.052 0.000 0.756 504 L CB -0.786 41.240 42.059 -0.056 0.000 0.900 504 L HN -0.187 nan 8.230 nan 0.000 0.440 505 V N 0.179 120.001 119.914 -0.154 0.000 2.418 505 V HA -0.359 3.762 4.120 0.001 0.000 0.258 505 V C 2.620 178.620 176.094 -0.155 0.000 1.088 505 V CA 2.169 64.346 62.300 -0.206 0.000 1.091 505 V CB -0.857 30.911 31.823 -0.093 0.000 0.669 505 V HN 0.605 nan 8.190 nan 0.000 0.461 506 E N 0.540 120.681 120.200 -0.099 0.000 2.042 506 E HA 0.020 4.370 4.350 0.001 0.000 0.189 506 E C 2.275 178.805 176.600 -0.116 0.000 0.974 506 E CA 1.314 57.669 56.400 -0.075 0.000 0.806 506 E CB -0.861 28.822 29.700 -0.028 0.000 0.769 506 E HN 0.408 nan 8.360 nan 0.000 0.451 507 G N 1.253 109.984 108.800 -0.115 0.000 2.442 507 G HA2 -0.239 3.721 3.960 0.001 0.000 0.219 507 G HA3 -0.239 3.721 3.960 0.001 0.000 0.219 507 G C 1.606 176.012 174.900 -0.823 0.000 1.141 507 G CA 1.009 45.909 45.100 -0.334 0.000 0.763 507 G HN 0.284 nan 8.290 nan 0.000 0.554 508 L N -0.346 120.603 121.223 -0.457 0.000 1.989 508 L HA -0.090 4.251 4.340 0.001 0.000 0.211 508 L C 2.680 179.388 176.870 -0.270 0.000 1.071 508 L CA 1.387 56.010 54.840 -0.362 0.000 0.749 508 L CB -0.265 41.617 42.059 -0.295 0.000 0.890 508 L HN 0.073 nan 8.230 nan 0.000 0.431 509 K N -0.296 119.985 120.400 -0.199 0.000 2.555 509 K HA -0.027 4.294 4.320 0.001 0.000 0.193 509 K C 1.947 178.488 176.600 -0.099 0.000 1.032 509 K CA 0.643 56.863 56.287 -0.111 0.000 1.004 509 K CB -0.092 32.366 32.500 -0.070 0.000 0.804 509 K HN 0.220 nan 8.250 nan 0.000 0.496 510 R N -0.716 119.683 120.500 -0.168 0.000 2.090 510 R HA 0.078 4.419 4.340 0.001 0.000 0.219 510 R C 1.877 178.151 176.300 -0.044 0.000 1.100 510 R CA 0.383 56.438 56.100 -0.076 0.000 0.991 510 R CB -0.325 29.976 30.300 0.001 0.000 0.893 510 R HN 0.065 nan 8.270 nan 0.000 0.443 511 L N 1.176 122.294 121.223 -0.174 0.000 2.012 511 L HA -0.135 4.205 4.340 0.001 0.000 0.210 511 L C 1.873 178.747 176.870 0.007 0.000 1.073 511 L CA 1.884 56.704 54.840 -0.033 0.000 0.748 511 L CB -0.560 41.437 42.059 -0.103 0.000 0.891 511 L HN 0.002 nan 8.230 nan 0.000 0.431 512 S N -0.210 115.474 115.700 -0.026 0.000 2.387 512 S HA -0.257 4.213 4.470 0.001 0.000 0.230 512 S C 1.857 176.483 174.600 0.043 0.000 1.035 512 S CA 1.860 60.067 58.200 0.012 0.000 1.014 512 S CB -0.412 62.788 63.200 -0.000 0.000 0.836 512 S HN 0.529 nan 8.310 nan 0.000 0.466 513 K N 1.423 121.851 120.400 0.046 0.000 2.103 513 K HA -0.022 4.298 4.320 0.001 0.000 0.204 513 K C 2.575 179.288 176.600 0.189 0.000 1.052 513 K CA 1.439 57.780 56.287 0.090 0.000 0.945 513 K CB -0.289 32.244 32.500 0.056 0.000 0.722 513 K HN 0.493 nan 8.250 nan 0.000 0.443 514 S N 0.358 116.156 115.700 0.163 0.000 2.447 514 S HA -0.099 4.371 4.470 0.001 0.000 0.233 514 S C 0.539 175.353 174.600 0.357 0.000 1.006 514 S CA 0.686 59.029 58.200 0.239 0.000 0.957 514 S CB -0.003 63.277 63.200 0.133 0.000 0.773 514 S HN 0.154 nan 8.310 nan 0.000 0.507 515 D N 0.584 121.096 120.400 0.186 0.000 2.879 515 D HA 0.424 5.065 4.640 0.001 0.000 0.236 515 D C -2.640 173.665 176.300 0.008 0.000 1.171 515 D CA -2.173 51.883 54.000 0.094 0.000 0.868 515 D CB 2.317 43.190 40.800 0.122 0.000 1.598 515 D HN -0.177 nan 8.370 nan 0.000 0.497 516 P HA 0.126 nan 4.420 nan 0.000 0.224 516 P C 1.059 178.360 177.300 0.001 0.000 1.157 516 P CA 0.417 63.458 63.100 -0.098 0.000 0.799 516 P CB 0.453 32.023 31.700 -0.216 0.000 0.809 517 C N -1.846 117.485 119.300 0.052 0.000 2.512 517 C HA 0.181 4.642 4.460 0.001 0.000 0.276 517 C C 1.449 176.565 174.990 0.210 0.000 1.368 517 C CA -0.235 58.849 59.018 0.111 0.000 1.755 517 C CB -0.569 27.196 27.740 0.040 0.000 2.008 517 C HN 0.061 nan 8.230 nan 0.000 0.511 518 V N 2.147 122.208 119.914 0.245 0.000 2.811 518 V HA 0.421 4.541 4.120 0.001 0.000 0.302 518 V C -0.585 175.583 176.094 0.123 0.000 1.063 518 V CA 0.153 62.569 62.300 0.193 0.000 1.088 518 V CB 1.378 33.251 31.823 0.084 0.000 0.982 518 V HN 0.362 nan 8.190 nan 0.000 0.485 519 L N 6.118 127.413 121.223 0.120 0.000 2.439 519 L HA 0.694 5.034 4.340 0.001 0.000 0.270 519 L C -0.214 176.728 176.870 0.120 0.000 0.972 519 L CA 0.088 55.012 54.840 0.140 0.000 0.836 519 L CB 2.059 44.233 42.059 0.192 0.000 1.255 519 L HN 0.857 nan 8.230 nan 0.000 0.404 520 T N 1.857 116.468 114.554 0.095 0.000 2.829 520 T HA 0.828 5.178 4.350 0.001 0.000 0.280 520 T C -0.739 174.035 174.700 0.124 0.000 0.999 520 T CA -0.432 61.672 62.100 0.008 0.000 0.983 520 T CB 1.411 70.256 68.868 -0.038 0.000 0.968 520 T HN 0.652 nan 8.240 nan 0.000 0.446 521 Y N -0.033 120.307 120.300 0.066 0.000 2.677 521 Y HA 0.696 5.246 4.550 0.001 0.000 0.334 521 Y C -1.472 174.482 175.900 0.089 0.000 1.196 521 Y CA -1.858 56.282 58.100 0.066 0.000 1.059 521 Y CB 1.294 39.772 38.460 0.030 0.000 1.315 521 Y HN 0.650 nan 8.280 nan 0.000 0.455 522 M N 3.259 123.015 119.600 0.259 0.000 2.238 522 M HA 0.513 4.994 4.480 0.001 0.000 0.350 522 M C -0.162 176.249 176.300 0.185 0.000 1.138 522 M CA -0.705 54.639 55.300 0.073 0.000 1.040 522 M CB 1.925 34.500 32.600 -0.041 0.000 1.639 522 M HN 0.868 nan 8.290 nan 0.000 0.451 523 S N 0.850 116.622 115.700 0.120 0.000 2.669 523 S HA 0.278 4.748 4.470 0.001 0.000 0.270 523 S C 0.710 175.332 174.600 0.036 0.000 1.225 523 S CA -0.666 57.619 58.200 0.141 0.000 0.991 523 S CB 1.247 64.529 63.200 0.136 0.000 0.987 523 S HN 0.687 nan 8.310 nan 0.000 0.552 524 E N 0.990 121.205 120.200 0.025 0.000 2.268 524 E HA -0.055 4.296 4.350 0.001 0.000 0.195 524 E C 1.716 178.317 176.600 0.001 0.000 0.995 524 E CA 1.160 57.562 56.400 0.002 0.000 0.836 524 E CB -0.447 29.268 29.700 0.025 0.000 0.763 524 E HN 0.760 nan 8.360 nan 0.000 0.491 525 S N -0.990 114.718 115.700 0.013 0.000 2.881 525 S HA 0.120 4.590 4.470 0.001 0.000 0.228 525 S C 1.525 176.121 174.600 -0.007 0.000 0.965 525 S CA 0.434 58.647 58.200 0.022 0.000 0.998 525 S CB -0.702 62.537 63.200 0.065 0.000 0.795 525 S HN 0.328 nan 8.310 nan 0.000 0.518 526 G N 0.328 109.104 108.800 -0.041 0.000 2.200 526 G HA2 -0.314 3.646 3.960 0.001 0.000 0.267 526 G HA3 -0.314 3.646 3.960 0.001 0.000 0.267 526 G C -0.112 174.683 174.900 -0.175 0.000 0.993 526 G CA 0.591 45.631 45.100 -0.101 0.000 0.701 526 G HN 0.652 nan 8.290 nan 0.000 0.524 527 E N 0.151 120.282 120.200 -0.115 0.000 2.343 527 E HA 0.319 4.669 4.350 0.001 0.000 0.269 527 E C -0.165 176.314 176.600 -0.203 0.000 1.047 527 E CA -0.681 55.647 56.400 -0.120 0.000 0.874 527 E CB 0.384 30.080 29.700 -0.007 0.000 1.033 527 E HN 0.375 nan 8.360 nan 0.000 0.409 528 H N 3.049 122.083 119.070 -0.060 0.000 2.517 528 H HA 0.268 4.825 4.556 0.001 0.000 0.317 528 H C -0.129 175.080 175.328 -0.198 0.000 1.080 528 H CA -0.292 55.685 56.048 -0.118 0.000 1.301 528 H CB 0.499 30.211 29.762 -0.083 0.000 1.425 528 H HN 0.279 nan 8.280 nan 0.000 0.471 529 I N 2.934 123.339 120.570 -0.275 0.000 2.693 529 I HA 0.318 4.488 4.170 0.001 0.000 0.303 529 I C 0.090 175.987 176.117 -0.366 0.000 1.025 529 I CA -1.041 60.002 61.300 -0.428 0.000 1.086 529 I CB 1.918 39.397 38.000 -0.869 0.000 1.268 529 I HN 0.160 nan 8.210 nan 0.000 0.440 530 V N 3.176 122.971 119.914 -0.199 0.000 2.488 530 V HA 0.704 4.825 4.120 0.001 0.000 0.293 530 V C 0.008 176.094 176.094 -0.013 0.000 1.027 530 V CA -0.541 61.704 62.300 -0.091 0.000 0.862 530 V CB 1.530 33.319 31.823 -0.057 0.000 1.008 530 V HN 0.951 nan 8.190 nan 0.000 0.428 531 A N 3.468 126.319 122.820 0.052 0.000 2.337 531 A HA 1.031 5.352 4.320 0.001 0.000 0.331 531 A C 0.243 177.915 177.584 0.147 0.000 1.137 531 A CA 0.038 52.143 52.037 0.114 0.000 0.807 531 A CB 1.835 20.938 19.000 0.172 0.000 1.250 531 A HN 1.113 nan 8.150 nan 0.000 0.468 532 G N -1.025 107.888 108.800 0.188 0.000 2.949 532 G HA2 0.482 4.443 3.960 0.001 0.000 0.285 532 G HA3 0.482 4.443 3.960 0.001 0.000 0.285 532 G C 0.354 175.429 174.900 0.292 0.000 1.395 532 G CA 0.418 45.741 45.100 0.372 0.000 0.901 532 G HN 0.542 nan 8.290 nan 0.000 0.519 533 T N -0.603 114.123 114.554 0.287 0.000 2.942 533 T HA 0.342 4.693 4.350 0.001 0.000 0.265 533 T C 0.964 175.781 174.700 0.194 0.000 1.062 533 T CA 1.322 63.467 62.100 0.075 0.000 1.139 533 T CB -0.102 68.658 68.868 -0.180 0.000 0.883 533 T HN 1.097 nan 8.240 nan 0.000 0.468 534 G N -0.332 108.599 108.800 0.218 0.000 2.623 534 G HA2 0.442 4.403 3.960 0.001 0.000 0.290 534 G HA3 0.442 4.403 3.960 0.001 0.000 0.290 534 G C 0.171 175.166 174.900 0.159 0.000 1.437 534 G CA -0.219 44.997 45.100 0.193 0.000 0.798 534 G HN 0.014 nan 8.290 nan 0.000 0.488 535 E N -0.543 119.714 120.200 0.096 0.000 2.095 535 E HA -0.328 4.023 4.350 0.001 0.000 0.212 535 E C 2.480 179.160 176.600 0.133 0.000 1.044 535 E CA 2.805 59.305 56.400 0.167 0.000 0.857 535 E CB -0.275 29.520 29.700 0.158 0.000 0.764 535 E HN 0.528 nan 8.360 nan 0.000 0.462 536 L N -0.713 120.551 121.223 0.068 0.000 2.017 536 L HA -0.093 4.247 4.340 0.001 0.000 0.208 536 L C 2.587 179.519 176.870 0.104 0.000 1.073 536 L CA 2.472 57.333 54.840 0.035 0.000 0.745 536 L CB -1.464 40.554 42.059 -0.068 0.000 0.894 536 L HN 0.184 nan 8.230 nan 0.000 0.432 537 H N -0.225 118.876 119.070 0.051 0.000 2.319 537 H HA -0.203 4.354 4.556 0.001 0.000 0.297 537 H C 1.978 177.356 175.328 0.084 0.000 1.097 537 H CA 2.408 58.506 56.048 0.082 0.000 1.285 537 H CB -0.285 29.528 29.762 0.085 0.000 1.368 537 H HN 0.322 nan 8.280 nan 0.000 0.495 538 L N 0.662 121.940 121.223 0.091 0.000 1.970 538 L HA -0.126 4.215 4.340 0.001 0.000 0.212 538 L C 2.329 179.201 176.870 0.003 0.000 1.071 538 L CA 2.139 56.995 54.840 0.027 0.000 0.751 538 L CB -1.106 41.023 42.059 0.117 0.000 0.889 538 L HN 0.276 nan 8.230 nan 0.000 0.432 539 E N -0.101 120.125 120.200 0.044 0.000 2.065 539 E HA -0.259 4.092 4.350 0.001 0.000 0.201 539 E C 2.165 178.776 176.600 0.018 0.000 1.016 539 E CA 2.147 58.566 56.400 0.032 0.000 0.818 539 E CB -0.475 29.247 29.700 0.037 0.000 0.749 539 E HN 0.567 nan 8.360 nan 0.000 0.453 540 I N -0.286 120.298 120.570 0.024 0.000 2.091 540 I HA -0.417 3.754 4.170 0.001 0.000 0.239 540 I C 2.436 178.553 176.117 -0.001 0.000 1.061 540 I CA 1.386 62.709 61.300 0.040 0.000 1.317 540 I CB -0.461 37.594 38.000 0.092 0.000 1.031 540 I HN 0.231 nan 8.210 nan 0.000 0.401 541 C N 0.743 119.997 119.300 -0.077 0.000 2.403 541 C HA -0.169 4.291 4.460 0.001 0.000 0.279 541 C C 2.737 177.722 174.990 -0.008 0.000 1.269 541 C CA 0.676 59.650 59.018 -0.073 0.000 1.774 541 C CB -1.240 26.396 27.740 -0.172 0.000 1.993 541 C HN 0.458 nan 8.230 nan 0.000 0.496 542 L N 0.528 121.749 121.223 -0.004 0.000 2.027 542 L HA -0.208 4.133 4.340 0.001 0.000 0.206 542 L C 2.931 179.822 176.870 0.035 0.000 1.074 542 L CA 1.554 56.405 54.840 0.017 0.000 0.745 542 L CB -0.921 41.146 42.059 0.013 0.000 0.898 542 L HN 0.479 nan 8.230 nan 0.000 0.433 543 Q N 0.276 120.097 119.800 0.035 0.000 2.061 543 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 543 Q C 1.595 177.643 176.000 0.079 0.000 0.984 543 Q CA 1.930 57.760 55.803 0.046 0.000 0.846 543 Q CB -0.606 28.159 28.738 0.044 0.000 0.902 543 Q HN 0.508 nan 8.270 nan 0.000 0.421 544 D N 0.701 121.141 120.400 0.067 0.000 2.309 544 D HA -0.098 4.542 4.640 0.001 0.000 0.212 544 D C 1.610 177.940 176.300 0.051 0.000 0.968 544 D CA 0.513 54.542 54.000 0.048 0.000 0.882 544 D CB -0.000 40.818 40.800 0.030 0.000 0.918 544 D HN 0.082 nan 8.370 nan 0.000 0.503 545 L N 0.714 122.010 121.223 0.122 0.000 2.121 545 L HA -0.007 4.334 4.340 0.001 0.000 0.200 545 L C 1.393 178.350 176.870 0.147 0.000 1.077 545 L CA 1.153 56.136 54.840 0.240 0.000 0.766 545 L CB -0.411 41.743 42.059 0.158 0.000 0.931 545 L HN -0.115 nan 8.230 nan 0.000 0.452 546 E N -2.173 118.085 120.200 0.096 0.000 2.461 546 E HA -0.160 4.191 4.350 0.001 0.000 0.196 546 E C 1.307 177.968 176.600 0.101 0.000 1.129 546 E CA 1.064 57.508 56.400 0.073 0.000 0.902 546 E CB -0.693 29.030 29.700 0.038 0.000 0.963 546 E HN 0.743 nan 8.360 nan 0.000 0.503 547 H N -1.016 118.029 119.070 -0.042 0.000 2.573 547 H HA 0.127 4.683 4.556 0.001 0.000 0.236 547 H C 0.354 175.610 175.328 -0.120 0.000 0.907 547 H CA 0.441 56.450 56.048 -0.066 0.000 1.058 547 H CB 0.793 30.519 29.762 -0.061 0.000 1.417 547 H HN 0.137 nan 8.280 nan 0.000 0.425 548 D N -0.429 119.835 120.400 -0.226 0.000 2.379 548 D HA 0.037 4.677 4.640 0.001 0.000 0.208 548 D C 0.845 176.829 176.300 -0.527 0.000 1.065 548 D CA 0.359 54.082 54.000 -0.462 0.000 0.848 548 D CB 0.418 40.847 40.800 -0.618 0.000 0.949 548 D HN 0.538 nan 8.370 nan 0.000 0.509 549 H N -0.414 118.643 119.070 -0.021 0.000 3.255 549 H HA 0.594 5.150 4.556 0.001 0.000 0.256 549 H C 0.476 175.795 175.328 -0.015 0.000 1.049 549 H CA 0.142 56.174 56.048 -0.026 0.000 1.202 549 H CB 1.528 31.269 29.762 -0.035 0.000 1.497 549 H HN 0.057 nan 8.280 nan 0.000 0.503 550 A N -0.326 122.543 122.820 0.081 0.000 2.594 550 A HA 0.591 4.911 4.320 0.001 0.000 0.291 550 A C 1.074 178.688 177.584 0.050 0.000 1.105 550 A CA -0.047 52.023 52.037 0.055 0.000 0.694 550 A CB 0.834 19.865 19.000 0.052 0.000 1.291 550 A HN 0.158 nan 8.150 nan 0.000 0.410 551 G N -0.819 108.005 108.800 0.038 0.000 2.459 551 G HA2 0.414 4.375 3.960 0.001 0.000 0.213 551 G HA3 0.414 4.375 3.960 0.001 0.000 0.213 551 G C 0.138 175.051 174.900 0.021 0.000 1.155 551 G CA 1.087 46.211 45.100 0.040 0.000 0.811 551 G HN 0.907 nan 8.290 nan 0.000 0.534 552 V N 1.490 121.412 119.914 0.013 0.000 2.925 552 V HA 0.396 4.517 4.120 0.001 0.000 0.311 552 V C -2.169 173.927 176.094 0.003 0.000 1.104 552 V CA -1.752 60.547 62.300 -0.003 0.000 0.954 552 V CB 2.660 34.480 31.823 -0.006 0.000 1.022 552 V HN 0.052 nan 8.190 nan 0.000 0.427 553 P HA 0.031 nan 4.420 nan 0.000 0.261 553 P C -0.506 176.795 177.300 0.002 0.000 1.165 553 P CA 0.589 63.689 63.100 -0.000 0.000 0.759 553 P CB 0.711 32.406 31.700 -0.008 0.000 0.772 554 L N 2.553 123.779 121.223 0.006 0.000 2.994 554 L HA 0.335 4.676 4.340 0.001 0.000 0.198 554 L C 1.545 178.418 176.870 0.004 0.000 1.530 554 L CA -0.731 54.113 54.840 0.006 0.000 1.565 554 L CB -0.253 41.812 42.059 0.009 0.000 2.470 554 L HN 0.110 nan 8.230 nan 0.000 0.564 555 K N 1.267 121.671 120.400 0.006 0.000 3.025 555 K HA 0.148 4.468 4.320 0.001 0.000 0.260 555 K C 0.015 176.615 176.600 0.001 0.000 1.023 555 K CA 0.221 56.511 56.287 0.004 0.000 1.194 555 K CB -1.192 31.314 32.500 0.009 0.000 1.094 555 K HN 0.351 nan 8.250 nan 0.000 0.460 556 I N 2.189 122.758 120.570 -0.002 0.000 2.574 556 I HA -0.049 4.122 4.170 0.001 0.000 0.291 556 I C -0.003 176.108 176.117 -0.011 0.000 1.131 556 I CA -0.005 61.292 61.300 -0.005 0.000 1.352 556 I CB -0.057 37.941 38.000 -0.003 0.000 1.431 556 I HN 0.408 nan 8.210 nan 0.000 0.543 557 S N 7.679 123.371 115.700 -0.013 0.000 2.624 557 S HA 0.495 4.965 4.470 0.001 0.000 0.263 557 S C -2.227 172.354 174.600 -0.031 0.000 1.287 557 S CA -1.137 57.050 58.200 -0.022 0.000 0.990 557 S CB 0.580 63.766 63.200 -0.023 0.000 0.950 557 S HN 0.459 nan 8.310 nan 0.000 0.561 558 P HA 0.231 nan 4.420 nan 0.000 0.270 558 P C -2.518 174.734 177.300 -0.080 0.000 1.221 558 P CA -0.850 62.202 63.100 -0.080 0.000 0.788 558 P CB -0.724 30.922 31.700 -0.090 0.000 0.904 559 P HA 0.064 nan 4.420 nan 0.000 0.267 559 P C -0.891 176.392 177.300 -0.028 0.000 1.205 559 P CA 0.441 63.487 63.100 -0.089 0.000 0.765 559 P CB 0.379 31.920 31.700 -0.265 0.000 0.828 560 V N 4.660 124.625 119.914 0.085 0.000 2.555 560 V HA 0.283 4.403 4.120 0.001 0.000 0.302 560 V C 0.148 176.344 176.094 0.170 0.000 1.038 560 V CA -0.762 61.616 62.300 0.130 0.000 0.887 560 V CB 2.346 34.236 31.823 0.113 0.000 0.991 560 V HN 0.199 nan 8.190 nan 0.000 0.434 561 V N 3.564 123.577 119.914 0.166 0.000 2.465 561 V HA 0.613 4.734 4.120 0.001 0.000 0.279 561 V C 0.684 176.702 176.094 -0.126 0.000 1.045 561 V CA -0.458 61.833 62.300 -0.015 0.000 0.938 561 V CB 1.615 33.335 31.823 -0.171 0.000 0.986 561 V HN 1.029 nan 8.190 nan 0.000 0.467 562 A N 4.947 127.702 122.820 -0.108 0.000 2.409 562 A HA 0.616 4.937 4.320 0.001 0.000 0.262 562 A C -0.857 176.696 177.584 -0.051 0.000 1.113 562 A CA 0.121 52.158 52.037 -0.000 0.000 0.790 562 A CB -0.011 19.036 19.000 0.078 0.000 1.046 562 A HN 0.723 nan 8.150 nan 0.000 0.496 563 Y N 0.698 121.121 120.300 0.205 0.000 2.730 563 Y HA 0.783 5.334 4.550 0.001 0.000 0.325 563 Y C 0.434 176.329 175.900 -0.009 0.000 1.132 563 Y CA -0.625 57.636 58.100 0.269 0.000 1.206 563 Y CB 1.499 40.179 38.460 0.365 0.000 1.390 563 Y HN 0.656 nan 8.280 nan 0.000 0.555 564 R N 0.387 120.986 120.500 0.165 0.000 2.604 564 R HA 0.345 4.686 4.340 0.001 0.000 0.281 564 R C -1.722 174.617 176.300 0.065 0.000 1.020 564 R CA -0.875 55.142 56.100 -0.139 0.000 0.899 564 R CB 1.584 31.558 30.300 -0.544 0.000 1.205 564 R HN 0.595 nan 8.270 nan 0.000 0.450 565 E N 0.926 121.148 120.200 0.036 0.000 2.174 565 E HA 0.444 4.794 4.350 0.001 0.000 0.282 565 E C -0.597 176.171 176.600 0.280 0.000 0.992 565 E CA -0.331 56.187 56.400 0.198 0.000 0.803 565 E CB 2.001 31.736 29.700 0.057 0.000 1.090 565 E HN 0.376 nan 8.360 nan 0.000 0.396 566 T N 0.997 115.743 114.554 0.320 0.000 2.816 566 T HA 0.485 4.836 4.350 0.001 0.000 0.299 566 T C -1.352 173.288 174.700 -0.100 0.000 1.230 566 T CA -0.713 61.489 62.100 0.170 0.000 1.007 566 T CB 1.455 70.367 68.868 0.073 0.000 1.289 566 T HN 0.270 nan 8.240 nan 0.000 0.508 567 V N 1.193 120.988 119.914 -0.198 0.000 2.667 567 V HA 0.777 4.898 4.120 0.001 0.000 0.308 567 V C 0.519 176.524 176.094 -0.148 0.000 1.048 567 V CA -0.521 61.587 62.300 -0.320 0.000 0.928 567 V CB 1.688 33.275 31.823 -0.395 0.000 1.004 567 V HN 0.919 nan 8.190 nan 0.000 0.444 568 E N 1.885 122.001 120.200 -0.140 0.000 2.431 568 E HA 0.261 4.611 4.350 0.001 0.000 0.200 568 E C 0.643 177.195 176.600 -0.080 0.000 0.995 568 E CA 0.865 57.215 56.400 -0.082 0.000 0.915 568 E CB 0.493 30.152 29.700 -0.068 0.000 0.930 568 E HN 1.106 nan 8.360 nan 0.000 0.496 569 S N -1.833 113.804 115.700 -0.106 0.000 2.757 569 S HA 0.345 4.815 4.470 0.001 0.000 0.285 569 S C -0.694 173.841 174.600 -0.108 0.000 1.196 569 S CA -1.098 57.046 58.200 -0.094 0.000 0.856 569 S CB 1.172 64.321 63.200 -0.086 0.000 1.212 569 S HN 0.051 nan 8.310 nan 0.000 0.516 570 E N 0.668 120.809 120.200 -0.098 0.000 2.313 570 E HA 0.464 4.815 4.350 0.001 0.000 0.272 570 E C -0.670 175.864 176.600 -0.110 0.000 1.038 570 E CA -0.495 55.847 56.400 -0.097 0.000 0.863 570 E CB 0.917 30.564 29.700 -0.088 0.000 1.060 570 E HN 0.559 nan 8.360 nan 0.000 0.402 571 S N 2.075 117.711 115.700 -0.107 0.000 2.563 571 S HA -0.067 4.404 4.470 0.001 0.000 0.294 571 S C 1.175 175.687 174.600 -0.147 0.000 1.279 571 S CA -0.046 58.076 58.200 -0.129 0.000 1.069 571 S CB 0.807 63.950 63.200 -0.095 0.000 0.828 571 S HN 0.584 nan 8.310 nan 0.000 0.497 572 S N 2.571 118.154 115.700 -0.195 0.000 2.392 572 S HA -0.197 4.274 4.470 0.001 0.000 0.232 572 S C 0.788 175.280 174.600 -0.181 0.000 1.041 572 S CA 1.492 59.575 58.200 -0.195 0.000 1.026 572 S CB -0.347 62.694 63.200 -0.265 0.000 0.845 572 S HN 0.913 nan 8.310 nan 0.000 0.465 573 Q N -1.421 118.254 119.800 -0.209 0.000 2.575 573 Q HA 0.448 4.788 4.340 0.001 0.000 0.290 573 Q C -1.402 174.548 176.000 -0.083 0.000 0.963 573 Q CA -0.856 54.861 55.803 -0.143 0.000 0.783 573 Q CB 0.715 29.346 28.738 -0.179 0.000 1.467 573 Q HN -0.126 nan 8.270 nan 0.000 0.402 574 T N 1.317 115.879 114.554 0.013 0.000 2.934 574 T HA 0.342 4.693 4.350 0.001 0.000 0.306 574 T C -0.197 174.637 174.700 0.222 0.000 1.042 574 T CA 0.697 62.856 62.100 0.099 0.000 1.145 574 T CB 0.307 69.260 68.868 0.141 0.000 0.982 574 T HN 0.575 nan 8.240 nan 0.000 0.544 575 A N 3.339 126.278 122.820 0.199 0.000 2.290 575 A HA 0.699 5.020 4.320 0.001 0.000 0.310 575 A C -0.563 177.047 177.584 0.043 0.000 1.202 575 A CA -0.667 51.539 52.037 0.281 0.000 0.837 575 A CB 0.441 19.571 19.000 0.216 0.000 1.139 575 A HN 0.714 nan 8.150 nan 0.000 0.509 576 L N 1.794 122.822 121.223 -0.324 0.000 2.388 576 L HA 0.902 5.243 4.340 0.001 0.000 0.264 576 L C -0.441 176.058 176.870 -0.619 0.000 0.998 576 L CA 0.139 54.594 54.840 -0.641 0.000 0.817 576 L CB 2.342 43.913 42.059 -0.814 0.000 1.338 576 L HN 0.563 nan 8.230 nan 0.000 0.414 577 S N 1.784 117.215 115.700 -0.449 0.000 2.537 577 S HA 0.689 5.159 4.470 0.001 0.000 0.271 577 S C -1.706 172.752 174.600 -0.237 0.000 1.148 577 S CA -0.913 57.123 58.200 -0.272 0.000 0.868 577 S CB 1.707 64.830 63.200 -0.129 0.000 1.115 577 S HN 0.782 nan 8.310 nan 0.000 0.461 578 K N -0.071 120.233 120.400 -0.160 0.000 2.340 578 K HA 0.784 5.105 4.320 0.001 0.000 0.244 578 K C -0.039 176.527 176.600 -0.056 0.000 0.973 578 K CA -0.799 55.422 56.287 -0.110 0.000 0.828 578 K CB 1.422 33.859 32.500 -0.105 0.000 1.226 578 K HN 0.541 nan 8.250 nan 0.000 0.437 579 S N 0.172 115.858 115.700 -0.022 0.000 2.617 579 S HA 0.149 4.620 4.470 0.001 0.000 0.259 579 S C -1.782 172.819 174.600 0.001 0.000 1.301 579 S CA -0.906 57.297 58.200 0.004 0.000 0.984 579 S CB 0.594 63.816 63.200 0.035 0.000 0.954 579 S HN 0.503 nan 8.310 nan 0.000 0.572 580 P HA -0.085 nan 4.420 nan 0.000 0.216 580 P C 1.250 178.557 177.300 0.011 0.000 1.150 580 P CA 1.023 64.130 63.100 0.011 0.000 0.837 580 P CB -0.116 31.597 31.700 0.022 0.000 0.786 581 N N -0.148 118.582 118.700 0.049 0.000 2.049 581 N HA -0.207 4.534 4.740 0.001 0.000 0.198 581 N C 0.684 176.128 175.510 -0.110 0.000 1.030 581 N CA 1.440 54.556 53.050 0.110 0.000 0.870 581 N CB -0.294 38.363 38.487 0.284 0.000 1.045 581 N HN 0.055 nan 8.380 nan 0.000 0.434 582 K N -2.021 118.306 120.400 -0.121 0.000 3.464 582 K HA -0.127 4.194 4.320 0.001 0.000 0.286 582 K C 0.138 176.576 176.600 -0.271 0.000 1.352 582 K CA 0.566 56.733 56.287 -0.199 0.000 0.928 582 K CB -2.018 30.334 32.500 -0.248 0.000 1.424 582 K HN 0.511 nan 8.250 nan 0.000 0.484 583 H N 0.012 119.115 119.070 0.054 0.000 2.575 583 H HA 0.210 4.766 4.556 0.001 0.000 0.267 583 H C 0.053 175.425 175.328 0.074 0.000 0.966 583 H CA 0.229 56.330 56.048 0.088 0.000 1.165 583 H CB 0.536 30.417 29.762 0.199 0.000 1.433 583 H HN 0.336 nan 8.280 nan 0.000 0.544 584 N N 0.499 119.277 118.700 0.129 0.000 2.225 584 N HA 0.479 5.219 4.740 0.001 0.000 0.298 584 N C -0.806 174.714 175.510 0.017 0.000 1.076 584 N CA -0.637 52.468 53.050 0.091 0.000 0.792 584 N CB 2.364 40.908 38.487 0.097 0.000 1.498 584 N HN -0.044 nan 8.380 nan 0.000 0.474 585 R N 0.975 121.480 120.500 0.010 0.000 2.744 585 R HA 0.642 4.983 4.340 0.001 0.000 0.279 585 R C -1.138 175.106 176.300 -0.094 0.000 0.977 585 R CA -0.686 55.348 56.100 -0.109 0.000 0.906 585 R CB 2.171 32.375 30.300 -0.159 0.000 1.197 585 R HN 0.439 nan 8.270 nan 0.000 0.463 586 I N 2.431 122.863 120.570 -0.230 0.000 2.478 586 I HA 0.340 4.511 4.170 0.001 0.000 0.287 586 I C -1.258 174.703 176.117 -0.259 0.000 1.042 586 I CA -0.759 60.471 61.300 -0.116 0.000 1.067 586 I CB 1.616 39.585 38.000 -0.051 0.000 1.233 586 I HN 0.495 nan 8.210 nan 0.000 0.431 587 Y N 7.069 127.342 120.300 -0.044 0.000 2.352 587 Y HA 0.711 5.261 4.550 0.001 0.000 0.339 587 Y C -0.214 175.660 175.900 -0.044 0.000 0.992 587 Y CA -0.936 57.139 58.100 -0.042 0.000 1.100 587 Y CB 1.696 40.134 38.460 -0.037 0.000 1.192 587 Y HN 0.387 nan 8.280 nan 0.000 0.458 588 L N -0.151 121.134 121.223 0.104 0.000 2.765 588 L HA 0.785 5.126 4.340 0.001 0.000 0.263 588 L C -1.711 175.185 176.870 0.044 0.000 1.068 588 L CA -1.738 53.129 54.840 0.044 0.000 0.903 588 L CB 1.924 43.989 42.059 0.010 0.000 1.512 588 L HN 0.423 nan 8.230 nan 0.000 0.404 589 K N -0.048 120.357 120.400 0.010 0.000 2.508 589 K HA 0.938 5.258 4.320 0.001 0.000 0.260 589 K C -1.420 175.178 176.600 -0.003 0.000 0.949 589 K CA -0.626 55.661 56.287 -0.001 0.000 0.834 589 K CB 2.532 35.015 32.500 -0.028 0.000 1.365 589 K HN 1.013 nan 8.250 nan 0.000 0.437 590 A N 1.630 124.449 122.820 -0.003 0.000 2.355 590 A HA 0.675 4.996 4.320 0.001 0.000 0.324 590 A C -1.101 176.459 177.584 -0.041 0.000 1.117 590 A CA -0.504 51.538 52.037 0.008 0.000 0.785 590 A CB 0.977 20.007 19.000 0.050 0.000 1.254 590 A HN 0.837 nan 8.150 nan 0.000 0.453 591 E N 0.735 120.915 120.200 -0.034 0.000 2.430 591 E HA 0.642 4.993 4.350 0.001 0.000 0.279 591 E C -3.177 173.405 176.600 -0.030 0.000 1.003 591 E CA -2.163 54.202 56.400 -0.058 0.000 0.801 591 E CB 1.687 31.340 29.700 -0.079 0.000 1.313 591 E HN 0.282 nan 8.360 nan 0.000 0.459 592 P HA 0.214 nan 4.420 nan 0.000 0.274 592 P C -0.584 176.736 177.300 0.034 0.000 1.237 592 P CA -0.322 62.776 63.100 -0.004 0.000 0.793 592 P CB 0.515 32.204 31.700 -0.019 0.000 0.977 593 I N 1.560 122.176 120.570 0.076 0.000 2.412 593 I HA 0.234 4.404 4.170 0.001 0.000 0.296 593 I C 0.411 176.595 176.117 0.111 0.000 0.987 593 I CA -0.569 60.812 61.300 0.135 0.000 1.180 593 I CB 1.141 39.231 38.000 0.150 0.000 1.340 593 I HN 0.213 nan 8.210 nan 0.000 0.455 594 D N 4.946 125.430 120.400 0.140 0.000 2.414 594 D HA -0.022 4.618 4.640 0.001 0.000 0.242 594 D C 1.126 177.488 176.300 0.104 0.000 1.129 594 D CA -0.085 53.985 54.000 0.116 0.000 0.885 594 D CB 1.573 42.463 40.800 0.150 0.000 1.198 594 D HN 0.446 nan 8.370 nan 0.000 0.437 595 E N 1.665 121.918 120.200 0.088 0.000 2.171 595 E HA -0.206 4.144 4.350 0.001 0.000 0.197 595 E C 1.412 178.065 176.600 0.087 0.000 0.997 595 E CA 1.299 57.750 56.400 0.086 0.000 0.810 595 E CB 0.247 29.990 29.700 0.072 0.000 0.738 595 E HN 0.426 nan 8.360 nan 0.000 0.467 596 E N -0.351 119.913 120.200 0.106 0.000 2.051 596 E HA -0.134 4.216 4.350 0.001 0.000 0.192 596 E C 2.228 178.851 176.600 0.038 0.000 0.991 596 E CA 1.273 57.754 56.400 0.136 0.000 0.799 596 E CB -0.257 29.591 29.700 0.247 0.000 0.748 596 E HN 0.125 nan 8.360 nan 0.000 0.449 597 V N 0.353 120.255 119.914 -0.020 0.000 2.358 597 V HA -0.218 3.903 4.120 0.001 0.000 0.246 597 V C 2.159 178.181 176.094 -0.120 0.000 1.047 597 V CA 1.752 63.909 62.300 -0.238 0.000 1.035 597 V CB -0.751 31.009 31.823 -0.105 0.000 0.658 597 V HN 0.154 nan 8.190 nan 0.000 0.452 598 S N 0.659 116.360 115.700 0.001 0.000 2.353 598 S HA -0.170 4.300 4.470 0.001 0.000 0.222 598 S C 1.943 176.573 174.600 0.049 0.000 1.035 598 S CA 1.666 59.891 58.200 0.042 0.000 1.025 598 S CB -0.471 62.773 63.200 0.072 0.000 0.902 598 S HN 0.357 nan 8.310 nan 0.000 0.440 599 L N 1.685 122.944 121.223 0.061 0.000 2.012 599 L HA -0.099 4.241 4.340 0.001 0.000 0.210 599 L C 2.653 179.544 176.870 0.036 0.000 1.073 599 L CA 1.866 56.752 54.840 0.076 0.000 0.748 599 L CB -1.489 40.620 42.059 0.083 0.000 0.891 599 L HN 0.325 nan 8.230 nan 0.000 0.431 600 A N -0.787 122.012 122.820 -0.034 0.000 1.940 600 A HA -0.191 4.130 4.320 0.001 0.000 0.219 600 A C 2.333 179.884 177.584 -0.056 0.000 1.176 600 A CA 1.847 53.833 52.037 -0.085 0.000 0.631 600 A CB -0.683 18.088 19.000 -0.382 0.000 0.814 600 A HN 0.427 nan 8.150 nan 0.000 0.446 601 I N -0.941 119.610 120.570 -0.032 0.000 2.286 601 I HA -0.187 3.983 4.170 0.001 0.000 0.245 601 I C 2.344 178.483 176.117 0.037 0.000 1.104 601 I CA 1.293 62.618 61.300 0.042 0.000 1.397 601 I CB -0.399 37.692 38.000 0.151 0.000 1.072 601 I HN 0.373 nan 8.210 nan 0.000 0.417 602 E N 0.783 121.019 120.200 0.059 0.000 2.268 602 E HA -0.131 4.220 4.350 0.001 0.000 0.195 602 E C 0.752 177.390 176.600 0.065 0.000 0.995 602 E CA 0.650 57.096 56.400 0.078 0.000 0.836 602 E CB 0.021 29.799 29.700 0.130 0.000 0.763 602 E HN 0.394 nan 8.360 nan 0.000 0.491 603 N N -0.442 118.288 118.700 0.050 0.000 2.320 603 N HA 0.077 4.817 4.740 0.001 0.000 0.237 603 N C 0.641 176.168 175.510 0.029 0.000 1.129 603 N CA 0.663 53.741 53.050 0.045 0.000 0.854 603 N CB 1.161 39.678 38.487 0.051 0.000 1.083 603 N HN 0.232 nan 8.380 nan 0.000 0.504 604 G N 0.926 109.733 108.800 0.011 0.000 2.322 604 G HA2 -0.352 3.609 3.960 0.001 0.000 0.264 604 G HA3 -0.352 3.609 3.960 0.001 0.000 0.264 604 G C 1.193 176.090 174.900 -0.005 0.000 0.992 604 G CA 0.585 45.681 45.100 -0.006 0.000 0.624 604 G HN 0.320 nan 8.290 nan 0.000 0.543 605 I N 1.251 121.829 120.570 0.013 0.000 2.069 605 I HA -0.087 4.083 4.170 0.001 0.000 0.237 605 I C 1.788 177.913 176.117 0.014 0.000 1.053 605 I CA 1.200 62.520 61.300 0.033 0.000 1.311 605 I CB -1.207 36.839 38.000 0.076 0.000 1.030 605 I HN 0.164 nan 8.210 nan 0.000 0.398 606 I N 2.816 123.374 120.570 -0.020 0.000 2.322 606 I HA 0.135 4.306 4.170 0.001 0.000 0.292 606 I C 0.242 176.351 176.117 -0.014 0.000 1.060 606 I CA 0.098 61.396 61.300 -0.002 0.000 1.309 606 I CB -0.180 37.802 38.000 -0.030 0.000 1.415 606 I HN 0.275 nan 8.210 nan 0.000 0.492 607 N N 8.705 127.380 118.700 -0.042 0.000 2.314 607 N HA 0.363 5.104 4.740 0.001 0.000 0.294 607 N C -2.176 173.165 175.510 -0.282 0.000 1.029 607 N CA -1.738 51.196 53.050 -0.194 0.000 0.845 607 N CB 3.109 41.533 38.487 -0.106 0.000 1.321 607 N HN 0.098 nan 8.380 nan 0.000 0.481 608 P HA -0.016 nan 4.420 nan 0.000 0.219 608 P C 0.582 177.807 177.300 -0.125 0.000 1.146 608 P CA 1.311 64.067 63.100 -0.574 0.000 0.808 608 P CB 0.389 31.662 31.700 -0.713 0.000 0.779 609 R N -1.729 118.705 120.500 -0.111 0.000 2.280 609 R HA 0.076 4.417 4.340 0.001 0.000 0.195 609 R C 0.837 177.144 176.300 0.012 0.000 0.935 609 R CA -0.086 55.997 56.100 -0.028 0.000 1.033 609 R CB -0.333 29.948 30.300 -0.032 0.000 0.964 609 R HN 0.201 nan 8.270 nan 0.000 0.489 610 D N 1.631 122.038 120.400 0.011 0.000 2.362 610 D HA -0.094 4.547 4.640 0.001 0.000 0.238 610 D C -0.561 175.783 176.300 0.073 0.000 1.212 610 D CA 0.117 54.136 54.000 0.032 0.000 0.902 610 D CB 0.637 41.453 40.800 0.028 0.000 1.180 610 D HN -0.060 nan 8.370 nan 0.000 0.445 611 D N 0.637 121.066 120.400 0.048 0.000 2.401 611 D HA -0.034 4.606 4.640 0.001 0.000 0.254 611 D C 1.388 177.718 176.300 0.051 0.000 1.192 611 D CA -0.246 53.785 54.000 0.052 0.000 0.885 611 D CB -0.058 40.719 40.800 -0.038 0.000 1.147 611 D HN 0.358 nan 8.370 nan 0.000 0.478 612 F N 3.537 123.515 119.950 0.047 0.000 2.085 612 F HA -0.273 4.255 4.527 0.001 0.000 0.299 612 F C 1.715 177.543 175.800 0.048 0.000 1.096 612 F CA 1.140 59.175 58.000 0.058 0.000 1.227 612 F CB -0.465 38.575 39.000 0.066 0.000 0.983 612 F HN 0.272 nan 8.300 nan 0.000 0.482 613 K N 0.900 120.734 120.400 -0.942 0.000 2.032 613 K HA -0.095 4.226 4.320 0.001 0.000 0.209 613 K C 2.520 178.977 176.600 -0.239 0.000 1.048 613 K CA 1.362 57.267 56.287 -0.638 0.000 0.927 613 K CB -0.621 31.449 32.500 -0.716 0.000 0.712 613 K HN 0.447 nan 8.250 nan 0.000 0.441 614 A N 1.505 124.218 122.820 -0.178 0.000 1.898 614 A HA -0.183 4.138 4.320 0.001 0.000 0.216 614 A C 2.111 179.677 177.584 -0.029 0.000 1.181 614 A CA 1.462 53.451 52.037 -0.079 0.000 0.620 614 A CB -0.467 18.498 19.000 -0.057 0.000 0.819 614 A HN 0.240 nan 8.150 nan 0.000 0.442 615 R N -0.335 120.161 120.500 -0.007 0.000 2.081 615 R HA -0.094 4.246 4.340 0.001 0.000 0.235 615 R C 2.262 178.575 176.300 0.021 0.000 1.131 615 R CA 1.440 57.557 56.100 0.028 0.000 0.960 615 R CB -0.400 29.944 30.300 0.074 0.000 0.856 615 R HN 0.428 nan 8.270 nan 0.000 0.436 616 A N 0.979 123.813 122.820 0.024 0.000 1.902 616 A HA -0.189 4.132 4.320 0.001 0.000 0.217 616 A C 2.162 179.776 177.584 0.051 0.000 1.181 616 A CA 1.522 53.587 52.037 0.046 0.000 0.623 616 A CB -0.513 18.534 19.000 0.078 0.000 0.818 616 A HN 0.288 nan 8.150 nan 0.000 0.443 617 R N 0.054 120.567 120.500 0.021 0.000 2.091 617 R HA -0.112 4.229 4.340 0.001 0.000 0.238 617 R C 1.803 178.130 176.300 0.045 0.000 1.136 617 R CA 1.741 57.855 56.100 0.023 0.000 0.959 617 R CB -0.523 29.774 30.300 -0.006 0.000 0.856 617 R HN 0.509 nan 8.270 nan 0.000 0.437 618 I N -0.038 120.564 120.570 0.053 0.000 2.163 618 I HA -0.259 3.912 4.170 0.001 0.000 0.240 618 I C 2.262 178.487 176.117 0.179 0.000 1.081 618 I CA 1.562 62.919 61.300 0.094 0.000 1.353 618 I CB -0.868 37.201 38.000 0.115 0.000 1.054 618 I HN 0.293 nan 8.210 nan 0.000 0.407 619 M N 0.206 119.903 119.600 0.162 0.000 2.159 619 M HA -0.169 4.312 4.480 0.001 0.000 0.263 619 M C 2.437 178.908 176.300 0.285 0.000 1.063 619 M CA 1.880 57.297 55.300 0.195 0.000 1.110 619 M CB -0.336 32.157 32.600 -0.179 0.000 1.374 619 M HN 0.261 nan 8.290 nan 0.000 0.411 620 A N 0.613 123.558 122.820 0.208 0.000 1.841 620 A HA -0.174 4.146 4.320 0.001 0.000 0.214 620 A C 1.694 179.355 177.584 0.129 0.000 1.195 620 A CA 1.965 54.121 52.037 0.199 0.000 0.611 620 A CB -0.709 18.373 19.000 0.136 0.000 0.835 620 A HN 0.372 nan 8.150 nan 0.000 0.443 621 D N 0.469 120.911 120.400 0.071 0.000 2.075 621 D HA -0.105 4.536 4.640 0.001 0.000 0.196 621 D C 1.199 177.465 176.300 -0.057 0.000 0.985 621 D CA 1.537 55.542 54.000 0.010 0.000 0.834 621 D CB -0.554 40.242 40.800 -0.007 0.000 0.987 621 D HN 0.423 nan 8.370 nan 0.000 0.452 622 D N -0.915 119.391 120.400 -0.156 0.000 2.323 622 D HA -0.065 4.576 4.640 0.001 0.000 0.209 622 D C 0.811 176.691 176.300 -0.700 0.000 0.973 622 D CA 0.546 54.273 54.000 -0.456 0.000 0.874 622 D CB 0.058 40.460 40.800 -0.663 0.000 0.930 622 D HN 0.372 nan 8.370 nan 0.000 0.521 623 Y N -0.384 119.977 120.300 0.101 0.000 2.588 623 Y HA 0.349 4.899 4.550 0.001 0.000 0.247 623 Y C 1.309 177.357 175.900 0.245 0.000 1.157 623 Y CA -0.546 57.653 58.100 0.165 0.000 1.215 623 Y CB 0.671 39.228 38.460 0.163 0.000 1.245 623 Y HN -0.100 nan 8.280 nan 0.000 0.534 624 G N 0.556 109.505 108.800 0.249 0.000 2.359 624 G HA2 -0.307 3.654 3.960 0.001 0.000 0.298 624 G HA3 -0.307 3.654 3.960 0.001 0.000 0.298 624 G C -0.571 174.471 174.900 0.236 0.000 1.030 624 G CA -0.097 45.116 45.100 0.189 0.000 1.149 624 G HN 0.344 nan 8.290 nan 0.000 0.512 625 W N -0.247 121.097 121.300 0.075 0.000 2.639 625 W HA 0.551 5.212 4.660 0.001 0.000 0.347 625 W C -0.123 176.420 176.519 0.039 0.000 1.067 625 W CA -0.816 56.564 57.345 0.058 0.000 1.218 625 W CB 1.274 30.781 29.460 0.077 0.000 1.393 625 W HN 0.143 nan 8.180 nan 0.000 0.557 626 D N 1.989 122.469 120.400 0.134 0.000 2.338 626 D HA -0.013 4.627 4.640 0.001 0.000 0.255 626 D C 1.262 177.678 176.300 0.194 0.000 1.237 626 D CA 0.253 54.314 54.000 0.102 0.000 0.883 626 D CB 1.584 42.390 40.800 0.010 0.000 1.087 626 D HN 0.214 nan 8.370 nan 0.000 0.485 627 V N 3.709 123.720 119.914 0.162 0.000 2.636 627 V HA -0.295 3.826 4.120 0.001 0.000 0.258 627 V C 2.275 178.461 176.094 0.153 0.000 1.092 627 V CA 2.729 65.124 62.300 0.158 0.000 1.110 627 V CB -0.483 31.402 31.823 0.103 0.000 0.685 627 V HN 0.786 nan 8.190 nan 0.000 0.481 628 T N -3.108 111.520 114.554 0.122 0.000 2.777 628 T HA -0.182 4.169 4.350 0.001 0.000 0.266 628 T C 1.647 176.423 174.700 0.126 0.000 1.040 628 T CA 1.498 63.661 62.100 0.104 0.000 1.141 628 T CB -0.476 68.427 68.868 0.059 0.000 0.868 628 T HN 0.509 nan 8.240 nan 0.000 0.444 629 D N 1.989 122.477 120.400 0.148 0.000 2.097 629 D HA 0.097 4.737 4.640 0.001 0.000 0.197 629 D C 2.594 179.072 176.300 0.298 0.000 0.984 629 D CA 1.452 55.562 54.000 0.183 0.000 0.826 629 D CB -0.794 40.089 40.800 0.137 0.000 0.973 629 D HN 0.557 nan 8.370 nan 0.000 0.460 630 A N 1.238 124.297 122.820 0.397 0.000 1.948 630 A HA -0.210 4.110 4.320 0.001 0.000 0.220 630 A C 2.047 179.746 177.584 0.192 0.000 1.177 630 A CA 1.320 53.506 52.037 0.249 0.000 0.636 630 A CB -0.554 18.564 19.000 0.197 0.000 0.815 630 A HN 0.155 nan 8.150 nan 0.000 0.449 631 R N -0.806 119.835 120.500 0.235 0.000 2.323 631 R HA 0.054 4.394 4.340 0.001 0.000 0.198 631 R C 0.288 176.731 176.300 0.238 0.000 0.988 631 R CA 0.495 56.803 56.100 0.346 0.000 1.041 631 R CB 0.113 30.635 30.300 0.370 0.000 0.926 631 R HN 0.220 nan 8.270 nan 0.000 0.476 632 K N 0.800 121.299 120.400 0.167 0.000 2.618 632 K HA 0.253 4.573 4.320 0.001 0.000 0.207 632 K C -0.078 176.597 176.600 0.125 0.000 1.058 632 K CA -0.078 56.280 56.287 0.118 0.000 1.086 632 K CB 0.699 33.225 32.500 0.044 0.000 0.827 632 K HN 0.122 nan 8.250 nan 0.000 0.481 633 I N 0.806 121.456 120.570 0.133 0.000 2.533 633 I HA -0.063 4.108 4.170 0.001 0.000 0.284 633 I C 0.771 177.028 176.117 0.233 0.000 1.109 633 I CA -0.128 61.219 61.300 0.079 0.000 1.412 633 I CB 0.494 38.474 38.000 -0.035 0.000 1.396 633 I HN 0.158 nan 8.210 nan 0.000 0.543 634 W N 6.172 127.411 121.300 -0.102 0.000 2.704 634 W HA 0.160 4.820 4.660 0.001 0.000 0.266 634 W C 0.627 177.132 176.519 -0.024 0.000 1.266 634 W CA -0.310 56.993 57.345 -0.070 0.000 1.377 634 W CB 0.079 29.482 29.460 -0.096 0.000 1.082 634 W HN 0.676 nan 8.180 nan 0.000 0.608 635 C N -3.078 116.316 119.300 0.157 0.000 3.068 635 C HA 0.523 4.984 4.460 0.001 0.000 0.344 635 C C -0.687 174.425 174.990 0.204 0.000 1.223 635 C CA -1.925 57.226 59.018 0.222 0.000 1.153 635 C CB -0.069 27.813 27.740 0.237 0.000 1.396 635 C HN -0.071 nan 8.230 nan 0.000 0.485 636 F N 1.101 121.165 119.950 0.189 0.000 2.497 636 F HA 0.854 5.382 4.527 0.001 0.000 0.331 636 F C 1.116 177.099 175.800 0.306 0.000 1.060 636 F CA 0.671 58.807 58.000 0.226 0.000 0.989 636 F CB 2.396 41.464 39.000 0.113 0.000 1.245 636 F HN 1.181 nan 8.300 nan 0.000 0.486 637 G N 1.159 110.222 108.800 0.438 0.000 2.703 637 G HA2 0.583 4.544 3.960 0.001 0.000 0.294 637 G HA3 0.583 4.544 3.960 0.001 0.000 0.294 637 G C -3.356 171.541 174.900 -0.006 0.000 1.451 637 G CA -1.379 43.798 45.100 0.127 0.000 0.869 637 G HN 0.213 nan 8.290 nan 0.000 0.516 638 P HA 0.238 nan 4.420 nan 0.000 0.307 638 P C -0.287 177.012 177.300 -0.002 0.000 1.306 638 P CA -0.250 62.806 63.100 -0.073 0.000 0.742 638 P CB 0.435 32.071 31.700 -0.106 0.000 1.349 639 D N -1.300 119.093 120.400 -0.011 0.000 2.782 639 D HA -0.232 4.409 4.640 0.001 0.000 0.231 639 D C 1.020 177.338 176.300 0.031 0.000 1.163 639 D CA 1.637 55.637 54.000 0.000 0.000 0.680 639 D CB -1.646 39.141 40.800 -0.022 0.000 1.062 639 D HN 0.836 nan 8.370 nan 0.000 0.425 640 G N 1.165 110.012 108.800 0.079 0.000 2.196 640 G HA2 -0.399 3.561 3.960 0.001 0.000 0.268 640 G HA3 -0.399 3.561 3.960 0.001 0.000 0.268 640 G C 0.608 175.579 174.900 0.118 0.000 0.975 640 G CA 1.210 46.383 45.100 0.122 0.000 0.648 640 G HN 0.703 nan 8.290 nan 0.000 0.538 641 N N -0.951 117.801 118.700 0.086 0.000 2.110 641 N HA 0.360 5.101 4.740 0.001 0.000 0.230 641 N C 0.882 176.442 175.510 0.085 0.000 1.353 641 N CA 0.838 53.886 53.050 -0.004 0.000 0.807 641 N CB -0.287 38.134 38.487 -0.109 0.000 1.244 641 N HN 0.717 nan 8.380 nan 0.000 0.504 642 G N 0.983 109.864 108.800 0.135 0.000 2.651 642 G HA2 0.325 4.286 3.960 0.001 0.000 0.260 642 G HA3 0.325 4.286 3.960 0.001 0.000 0.260 642 G C -2.130 172.888 174.900 0.197 0.000 1.216 642 G CA -1.166 43.995 45.100 0.102 0.000 0.913 642 G HN 0.103 nan 8.290 nan 0.000 0.535 643 P HA 0.135 nan 4.420 nan 0.000 0.220 643 P C -1.083 176.290 177.300 0.120 0.000 1.806 643 P CA -0.166 63.015 63.100 0.135 0.000 0.976 643 P CB -0.425 31.321 31.700 0.076 0.000 1.952 644 N N 0.525 119.332 118.700 0.178 0.000 2.324 644 N HA 0.533 5.273 4.740 0.001 0.000 0.285 644 N C -0.867 174.829 175.510 0.311 0.000 1.076 644 N CA -0.605 52.589 53.050 0.239 0.000 0.864 644 N CB 1.855 40.464 38.487 0.204 0.000 1.632 644 N HN -0.033 nan 8.380 nan 0.000 0.478 645 L N 0.329 121.680 121.223 0.213 0.000 2.257 645 L HA 0.825 5.166 4.340 0.001 0.000 0.257 645 L C -0.969 175.699 176.870 -0.336 0.000 1.033 645 L CA -1.191 53.598 54.840 -0.084 0.000 0.835 645 L CB 2.014 43.950 42.059 -0.205 0.000 1.398 645 L HN 0.173 nan 8.230 nan 0.000 0.429 646 V N 2.408 122.046 119.914 -0.460 0.000 2.524 646 V HA 0.431 4.552 4.120 0.001 0.000 0.297 646 V C -0.764 175.182 176.094 -0.247 0.000 1.035 646 V CA -0.362 61.638 62.300 -0.499 0.000 0.867 646 V CB 2.004 33.434 31.823 -0.655 0.000 1.004 646 V HN 0.355 nan 8.190 nan 0.000 0.426 647 I N 3.446 123.886 120.570 -0.217 0.000 2.354 647 I HA 0.343 4.513 4.170 0.001 0.000 0.292 647 I C -0.038 175.871 176.117 -0.348 0.000 0.989 647 I CA -0.435 60.762 61.300 -0.172 0.000 1.188 647 I CB 1.708 39.687 38.000 -0.034 0.000 1.342 647 I HN 0.630 nan 8.210 nan 0.000 0.457 648 D N 6.174 126.276 120.400 -0.497 0.000 2.374 648 D HA 0.111 4.751 4.640 0.001 0.000 0.240 648 D C 0.429 176.537 176.300 -0.321 0.000 1.229 648 D CA 0.213 53.815 54.000 -0.664 0.000 0.895 648 D CB 0.654 40.900 40.800 -0.923 0.000 1.046 648 D HN 0.443 nan 8.370 nan 0.000 0.498 649 Q N 2.003 121.647 119.800 -0.261 0.000 2.220 649 Q HA 0.081 4.422 4.340 0.001 0.000 0.205 649 Q C 0.514 176.436 176.000 -0.130 0.000 0.865 649 Q CA -0.155 55.554 55.803 -0.155 0.000 0.960 649 Q CB 0.412 29.073 28.738 -0.128 0.000 1.097 649 Q HN 0.598 nan 8.270 nan 0.000 0.493 650 T N -0.276 114.185 114.554 -0.155 0.000 2.855 650 T HA 0.127 4.477 4.350 0.001 0.000 0.314 650 T C 0.095 174.756 174.700 -0.065 0.000 1.077 650 T CA -0.282 61.757 62.100 -0.101 0.000 1.095 650 T CB 0.905 69.720 68.868 -0.088 0.000 0.987 650 T HN -0.092 nan 8.240 nan 0.000 0.546 651 K N 1.331 121.701 120.400 -0.050 0.000 2.502 651 K HA 0.565 4.886 4.320 0.001 0.000 0.254 651 K C 0.203 176.786 176.600 -0.027 0.000 0.947 651 K CA -0.464 55.801 56.287 -0.036 0.000 0.834 651 K CB 1.725 34.199 32.500 -0.043 0.000 1.112 651 K HN 1.134 nan 8.250 nan 0.000 0.427 652 A N 1.547 124.359 122.820 -0.015 0.000 2.687 652 A HA -0.143 4.178 4.320 0.001 0.000 0.299 652 A C -0.047 177.530 177.584 -0.012 0.000 1.497 652 A CA 0.461 52.489 52.037 -0.014 0.000 0.751 652 A CB -1.999 16.987 19.000 -0.023 0.000 1.048 652 A HN 0.328 nan 8.150 nan 0.000 0.464 653 V N 1.896 121.815 119.914 0.009 0.000 2.339 653 V HA 0.243 4.364 4.120 0.001 0.000 0.261 653 V C 0.803 176.910 176.094 0.023 0.000 1.058 653 V CA 0.495 62.810 62.300 0.025 0.000 0.897 653 V CB 1.066 32.922 31.823 0.054 0.000 1.052 653 V HN 0.798 nan 8.190 nan 0.000 0.480 654 Q N 3.929 123.696 119.800 -0.055 0.000 2.386 654 Q HA -0.009 4.332 4.340 0.001 0.000 0.282 654 Q C 0.224 176.160 176.000 -0.108 0.000 1.050 654 Q CA 0.300 55.983 55.803 -0.199 0.000 0.918 654 Q CB 0.216 28.676 28.738 -0.463 0.000 1.266 654 Q HN 0.696 nan 8.270 nan 0.000 0.423 655 Y N -0.025 120.323 120.300 0.080 0.000 4.784 655 Y HA -0.392 4.159 4.550 0.001 0.000 0.278 655 Y C 0.992 176.845 175.900 -0.078 0.000 0.980 655 Y CA 0.796 58.876 58.100 -0.032 0.000 1.845 655 Y CB -1.998 36.445 38.460 -0.028 0.000 1.177 655 Y HN 0.706 nan 8.280 nan 0.000 0.460 656 L N 1.660 123.000 121.223 0.195 0.000 2.095 656 L HA -0.326 4.015 4.340 0.001 0.000 0.229 656 L C 2.849 179.852 176.870 0.221 0.000 1.097 656 L CA 3.024 58.003 54.840 0.233 0.000 0.813 656 L CB -0.913 41.310 42.059 0.273 0.000 0.907 656 L HN 0.658 nan 8.230 nan 0.000 0.445 657 H N -0.984 118.194 119.070 0.180 0.000 2.518 657 H HA -0.090 4.466 4.556 0.001 0.000 0.289 657 H C 1.450 176.785 175.328 0.010 0.000 1.051 657 H CA 1.370 57.452 56.048 0.058 0.000 1.280 657 H CB -0.651 29.122 29.762 0.019 0.000 1.380 657 H HN 0.635 nan 8.280 nan 0.000 0.566 658 E N 1.044 120.941 120.200 -0.506 0.000 2.511 658 E HA 0.041 4.391 4.350 0.001 0.000 0.196 658 E C 1.616 178.146 176.600 -0.116 0.000 1.066 658 E CA 0.745 56.961 56.400 -0.308 0.000 0.871 658 E CB 0.121 29.649 29.700 -0.287 0.000 0.863 658 E HN 0.773 nan 8.360 nan 0.000 0.520 659 I N -3.073 117.474 120.570 -0.038 0.000 4.154 659 I HA 0.195 4.366 4.170 0.001 0.000 0.334 659 I C 1.899 178.036 176.117 0.033 0.000 1.371 659 I CA -0.387 60.929 61.300 0.026 0.000 1.110 659 I CB 0.290 38.346 38.000 0.094 0.000 1.085 659 I HN -0.202 nan 8.210 nan 0.000 0.398 660 K N 2.102 122.445 120.400 -0.095 0.000 2.020 660 K HA -0.229 4.091 4.320 0.001 0.000 0.212 660 K C 1.409 177.875 176.600 -0.224 0.000 1.050 660 K CA 2.634 58.682 56.287 -0.399 0.000 0.929 660 K CB -0.088 31.941 32.500 -0.785 0.000 0.714 660 K HN 0.353 nan 8.250 nan 0.000 0.443 661 D N 0.036 120.345 120.400 -0.151 0.000 2.149 661 D HA -0.118 4.522 4.640 0.001 0.000 0.198 661 D C 2.030 178.329 176.300 -0.001 0.000 0.990 661 D CA 1.116 55.071 54.000 -0.075 0.000 0.839 661 D CB -0.235 40.530 40.800 -0.060 0.000 0.948 661 D HN 0.171 nan 8.370 nan 0.000 0.460 662 S N -0.036 115.675 115.700 0.018 0.000 2.355 662 S HA -0.088 4.382 4.470 0.001 0.000 0.222 662 S C 2.369 177.036 174.600 0.110 0.000 1.031 662 S CA 0.502 58.738 58.200 0.060 0.000 0.993 662 S CB -0.165 63.068 63.200 0.054 0.000 0.859 662 S HN 0.077 nan 8.310 nan 0.000 0.453 663 V N 1.672 121.673 119.914 0.145 0.000 2.287 663 V HA -0.179 3.942 4.120 0.001 0.000 0.248 663 V C 2.332 178.566 176.094 0.234 0.000 1.053 663 V CA 1.622 64.054 62.300 0.220 0.000 1.027 663 V CB -0.889 31.173 31.823 0.398 0.000 0.646 663 V HN 0.324 nan 8.190 nan 0.000 0.447 664 V N 0.292 120.321 119.914 0.193 0.000 2.255 664 V HA -0.319 3.802 4.120 0.001 0.000 0.247 664 V C 2.737 178.969 176.094 0.230 0.000 1.051 664 V CA 2.272 64.697 62.300 0.208 0.000 1.018 664 V CB -1.276 30.605 31.823 0.097 0.000 0.641 664 V HN 0.579 nan 8.190 nan 0.000 0.445 665 A N -0.000 122.914 122.820 0.157 0.000 1.883 665 A HA -0.191 4.130 4.320 0.001 0.000 0.217 665 A C 2.444 180.157 177.584 0.214 0.000 1.186 665 A CA 2.433 54.559 52.037 0.149 0.000 0.624 665 A CB -0.985 18.074 19.000 0.098 0.000 0.822 665 A HN 0.629 nan 8.150 nan 0.000 0.444 666 A N -1.576 121.375 122.820 0.217 0.000 1.940 666 A HA -0.091 4.230 4.320 0.001 0.000 0.219 666 A C 2.038 179.735 177.584 0.190 0.000 1.176 666 A CA 1.752 53.919 52.037 0.216 0.000 0.631 666 A CB -0.684 18.397 19.000 0.135 0.000 0.814 666 A HN 0.650 nan 8.150 nan 0.000 0.446 667 F N 0.496 120.489 119.950 0.072 0.000 2.146 667 F HA -0.139 4.389 4.527 0.001 0.000 0.298 667 F C 2.451 178.293 175.800 0.070 0.000 1.096 667 F CA 1.836 59.868 58.000 0.052 0.000 1.275 667 F CB -0.212 38.839 39.000 0.085 0.000 1.008 667 F HN 0.193 nan 8.300 nan 0.000 0.480 668 Q N -0.790 119.068 119.800 0.098 0.000 2.135 668 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 668 Q C 2.051 178.063 176.000 0.020 0.000 0.981 668 Q CA 1.779 57.588 55.803 0.010 0.000 0.856 668 Q CB -1.336 27.460 28.738 0.096 0.000 0.902 668 Q HN 0.676 nan 8.270 nan 0.000 0.425 669 W N 0.898 122.125 121.300 -0.120 0.000 2.476 669 W HA 0.115 4.776 4.660 0.001 0.000 0.281 669 W C 2.047 178.476 176.519 -0.150 0.000 1.230 669 W CA 1.329 58.600 57.345 -0.122 0.000 1.287 669 W CB -0.496 28.910 29.460 -0.091 0.000 1.108 669 W HN 0.086 nan 8.180 nan 0.000 0.567 670 A N -0.063 122.574 122.820 -0.305 0.000 1.929 670 A HA -0.132 4.188 4.320 0.001 0.000 0.216 670 A C 2.008 179.423 177.584 -0.282 0.000 1.176 670 A CA 2.541 54.365 52.037 -0.355 0.000 0.628 670 A CB -1.392 17.425 19.000 -0.305 0.000 0.816 670 A HN 0.330 nan 8.150 nan 0.000 0.444 671 T N -2.350 111.938 114.554 -0.444 0.000 2.995 671 T HA -0.032 4.319 4.350 0.001 0.000 0.269 671 T C 1.745 176.281 174.700 -0.275 0.000 1.091 671 T CA 1.509 63.349 62.100 -0.435 0.000 1.128 671 T CB -0.119 68.365 68.868 -0.640 0.000 0.891 671 T HN 0.389 nan 8.240 nan 0.000 0.492 672 K N 1.447 121.734 120.400 -0.189 0.000 2.217 672 K HA 0.061 4.382 4.320 0.001 0.000 0.202 672 K C 0.331 176.851 176.600 -0.133 0.000 1.051 672 K CA 0.843 57.056 56.287 -0.124 0.000 0.952 672 K CB 0.256 32.740 32.500 -0.026 0.000 0.736 672 K HN 0.489 nan 8.250 nan 0.000 0.453 673 E N -0.124 119.994 120.200 -0.136 0.000 2.649 673 E HA 0.173 4.523 4.350 0.001 0.000 0.310 673 E C -0.831 175.614 176.600 -0.259 0.000 1.036 673 E CA -0.546 55.752 56.400 -0.169 0.000 0.772 673 E CB 1.421 31.087 29.700 -0.056 0.000 1.513 673 E HN 0.285 nan 8.360 nan 0.000 0.384 674 G N 2.504 111.065 108.800 -0.398 0.000 2.684 674 G HA2 0.105 4.065 3.960 0.001 0.000 0.255 674 G HA3 0.105 4.065 3.960 0.001 0.000 0.255 674 G C -1.321 173.115 174.900 -0.773 0.000 1.219 674 G CA -0.772 43.913 45.100 -0.691 0.000 0.901 674 G HN 0.235 nan 8.290 nan 0.000 0.548 675 P HA 0.043 nan 4.420 nan 0.000 0.245 675 P C 1.547 178.696 177.300 -0.253 0.000 1.212 675 P CA 0.116 62.736 63.100 -0.799 0.000 0.774 675 P CB 0.304 31.346 31.700 -1.096 0.000 0.999 676 I N 0.274 120.774 120.570 -0.115 0.000 2.193 676 I HA -0.070 4.101 4.170 0.001 0.000 0.240 676 I C 1.683 177.973 176.117 0.288 0.000 1.084 676 I CA 1.721 63.108 61.300 0.144 0.000 1.365 676 I CB -1.109 37.064 38.000 0.289 0.000 1.064 676 I HN 0.049 nan 8.210 nan 0.000 0.410 677 F N -1.380 118.508 119.950 -0.104 0.000 2.457 677 F HA 0.572 5.100 4.527 0.001 0.000 0.384 677 F C 0.708 176.459 175.800 -0.081 0.000 1.464 677 F CA -0.155 57.814 58.000 -0.052 0.000 1.060 677 F CB -0.222 38.784 39.000 0.011 0.000 1.699 677 F HN 0.140 nan 8.300 nan 0.000 0.497 678 G N -0.012 108.662 108.800 -0.211 0.000 2.189 678 G HA2 -0.278 3.683 3.960 0.001 0.000 0.267 678 G HA3 -0.278 3.683 3.960 0.001 0.000 0.267 678 G C 0.240 174.905 174.900 -0.391 0.000 0.975 678 G CA 0.660 45.578 45.100 -0.304 0.000 0.644 678 G HN 0.505 nan 8.290 nan 0.000 0.537 679 E N 0.970 120.816 120.200 -0.589 0.000 2.371 679 E HA 0.309 4.659 4.350 0.001 0.000 0.257 679 E C 0.781 177.188 176.600 -0.323 0.000 1.134 679 E CA -0.350 55.750 56.400 -0.501 0.000 0.919 679 E CB 0.396 29.679 29.700 -0.696 0.000 1.025 679 E HN 0.588 nan 8.360 nan 0.000 0.438 680 E N 1.104 121.148 120.200 -0.260 0.000 2.392 680 E HA 0.043 4.393 4.350 0.001 0.000 0.264 680 E C 0.026 176.484 176.600 -0.236 0.000 1.024 680 E CA 0.166 56.420 56.400 -0.243 0.000 0.903 680 E CB 0.645 30.204 29.700 -0.234 0.000 0.963 680 E HN 0.240 nan 8.360 nan 0.000 0.432 681 M N 2.178 121.644 119.600 -0.223 0.000 2.255 681 M HA 0.295 4.775 4.480 0.001 0.000 0.336 681 M C 0.138 176.358 176.300 -0.133 0.000 1.135 681 M CA 0.189 55.402 55.300 -0.144 0.000 1.145 681 M CB 1.029 33.551 32.600 -0.130 0.000 1.473 681 M HN 0.316 nan 8.290 nan 0.000 0.462 682 R N 0.099 120.556 120.500 -0.072 0.000 2.548 682 R HA 0.315 4.655 4.340 0.001 0.000 0.280 682 R C -0.803 175.496 176.300 -0.001 0.000 1.061 682 R CA -0.115 55.923 56.100 -0.102 0.000 0.915 682 R CB 1.375 31.505 30.300 -0.284 0.000 1.210 682 R HN 0.813 nan 8.270 nan 0.000 0.442 683 S N 0.741 116.459 115.700 0.030 0.000 3.698 683 S HA -0.123 4.347 4.470 0.001 0.000 0.338 683 S C -0.504 174.154 174.600 0.096 0.000 1.089 683 S CA 0.796 59.037 58.200 0.068 0.000 0.991 683 S CB -1.321 61.913 63.200 0.056 0.000 0.909 683 S HN 0.367 nan 8.310 nan 0.000 0.485 684 V N 1.558 121.554 119.914 0.136 0.000 2.370 684 V HA 0.607 4.727 4.120 0.001 0.000 0.283 684 V C 0.315 176.535 176.094 0.210 0.000 1.023 684 V CA -0.693 61.715 62.300 0.180 0.000 0.857 684 V CB 1.701 33.686 31.823 0.271 0.000 0.985 684 V HN 0.420 nan 8.190 nan 0.000 0.443 685 R N 4.654 125.243 120.500 0.147 0.000 2.346 685 R HA 0.681 5.022 4.340 0.001 0.000 0.311 685 R C -1.518 174.825 176.300 0.072 0.000 0.983 685 R CA -0.243 55.926 56.100 0.114 0.000 0.880 685 R CB 1.568 31.920 30.300 0.088 0.000 1.100 685 R HN 0.437 nan 8.270 nan 0.000 0.453 686 V N 5.344 125.267 119.914 0.014 0.000 2.443 686 V HA 0.389 4.509 4.120 0.001 0.000 0.293 686 V C -0.926 175.102 176.094 -0.110 0.000 1.021 686 V CA -0.889 61.396 62.300 -0.025 0.000 0.848 686 V CB 1.765 33.584 31.823 -0.006 0.000 0.998 686 V HN 0.896 nan 8.190 nan 0.000 0.424 687 N N 4.927 123.573 118.700 -0.089 0.000 2.469 687 N HA 0.529 5.269 4.740 0.001 0.000 0.253 687 N C -0.550 174.885 175.510 -0.126 0.000 0.970 687 N CA -0.475 52.500 53.050 -0.125 0.000 0.940 687 N CB 1.539 39.963 38.487 -0.106 0.000 1.128 687 N HN 0.584 nan 8.380 nan 0.000 0.503 688 I N 3.495 123.947 120.570 -0.197 0.000 2.389 688 I HA 0.000 4.171 4.170 0.001 0.000 0.295 688 I C 1.121 177.154 176.117 -0.141 0.000 1.117 688 I CA -0.082 61.110 61.300 -0.179 0.000 1.317 688 I CB 0.314 38.127 38.000 -0.313 0.000 1.431 688 I HN 0.554 nan 8.210 nan 0.000 0.521 689 L N 3.966 125.151 121.223 -0.063 0.000 2.095 689 L HA 0.079 4.419 4.340 0.001 0.000 0.204 689 L C 0.538 177.374 176.870 -0.056 0.000 1.080 689 L CA 1.092 55.897 54.840 -0.058 0.000 0.759 689 L CB -0.248 41.793 42.059 -0.029 0.000 0.914 689 L HN 0.623 nan 8.230 nan 0.000 0.439 690 D N -2.060 118.348 120.400 0.013 0.000 2.623 690 D HA 0.511 5.151 4.640 0.001 0.000 0.241 690 D C -1.476 174.938 176.300 0.189 0.000 1.241 690 D CA -0.218 53.795 54.000 0.021 0.000 0.788 690 D CB 2.663 43.363 40.800 -0.165 0.000 1.413 690 D HN -0.302 nan 8.370 nan 0.000 0.429 691 V N 0.883 120.882 119.914 0.142 0.000 2.888 691 V HA 0.708 4.829 4.120 0.001 0.000 0.309 691 V C -0.644 175.545 176.094 0.157 0.000 1.114 691 V CA -0.703 61.698 62.300 0.169 0.000 0.940 691 V CB 2.236 34.123 31.823 0.106 0.000 1.021 691 V HN 0.788 nan 8.190 nan 0.000 0.426 692 T N 2.641 117.297 114.554 0.169 0.000 2.840 692 T HA 0.842 5.192 4.350 0.001 0.000 0.287 692 T C -1.012 173.766 174.700 0.132 0.000 0.991 692 T CA -0.571 61.613 62.100 0.141 0.000 0.964 692 T CB 1.160 70.120 68.868 0.153 0.000 0.954 692 T HN 0.371 nan 8.240 nan 0.000 0.438 693 L N 2.216 123.525 121.223 0.144 0.000 2.354 693 L HA 0.525 4.865 4.340 0.001 0.000 0.269 693 L C 0.277 177.251 176.870 0.173 0.000 1.005 693 L CA -1.408 53.529 54.840 0.162 0.000 0.819 693 L CB 1.920 44.089 42.059 0.183 0.000 1.311 693 L HN 0.781 nan 8.230 nan 0.000 0.423 694 H N 0.605 119.718 119.070 0.071 0.000 2.871 694 H HA 0.083 4.639 4.556 0.001 0.000 0.355 694 H C 0.908 176.229 175.328 -0.011 0.000 1.092 694 H CA 0.699 56.761 56.048 0.023 0.000 1.420 694 H CB 1.544 31.269 29.762 -0.062 0.000 1.400 694 H HN 0.773 nan 8.280 nan 0.000 0.604 695 A N 3.677 126.600 122.820 0.171 0.000 1.930 695 A HA -0.089 4.232 4.320 0.001 0.000 0.217 695 A C 0.460 178.038 177.584 -0.009 0.000 1.175 695 A CA 1.217 53.347 52.037 0.156 0.000 0.627 695 A CB -0.010 19.077 19.000 0.146 0.000 0.815 695 A HN 0.787 nan 8.150 nan 0.000 0.443 696 D N -0.083 120.442 120.400 0.208 0.000 2.277 696 D HA 0.449 5.090 4.640 0.001 0.000 0.249 696 D C 1.076 177.238 176.300 -0.230 0.000 1.134 696 D CA 0.586 54.516 54.000 -0.117 0.000 0.863 696 D CB 1.534 42.218 40.800 -0.193 0.000 1.143 696 D HN 0.189 nan 8.370 nan 0.000 0.458 697 A N 3.861 126.537 122.820 -0.241 0.000 2.076 697 A HA -0.136 4.185 4.320 0.001 0.000 0.220 697 A C 1.352 178.832 177.584 -0.173 0.000 1.160 697 A CA 0.641 52.553 52.037 -0.208 0.000 0.653 697 A CB -0.439 18.448 19.000 -0.188 0.000 0.801 697 A HN 0.571 nan 8.150 nan 0.000 0.455 701 G N -0.265 108.513 108.800 -0.036 0.000 2.683 701 G HA2 0.304 4.265 3.960 0.001 0.000 0.260 701 G HA3 0.304 4.265 3.960 0.001 0.000 0.260 701 G C 1.149 176.045 174.900 -0.006 0.000 1.238 701 G CA 0.070 45.152 45.100 -0.029 0.000 0.934 701 G HN 0.155 nan 8.290 nan 0.000 0.534 702 G N -0.400 108.397 108.800 -0.005 0.000 2.442 702 G HA2 -0.037 3.923 3.960 0.001 0.000 0.219 702 G HA3 -0.037 3.923 3.960 0.001 0.000 0.219 702 G C 1.775 176.688 174.900 0.023 0.000 1.141 702 G CA 1.488 46.595 45.100 0.012 0.000 0.763 702 G HN 0.955 nan 8.290 nan 0.000 0.554 703 G N -0.154 108.653 108.800 0.011 0.000 2.440 703 G HA2 -0.190 3.770 3.960 0.001 0.000 0.218 703 G HA3 -0.190 3.770 3.960 0.001 0.000 0.218 703 G C 1.860 176.779 174.900 0.032 0.000 1.154 703 G CA 1.134 46.245 45.100 0.019 0.000 0.767 703 G HN 0.386 nan 8.290 nan 0.000 0.552 704 Q N -0.316 119.500 119.800 0.027 0.000 2.096 704 Q HA 0.086 4.426 4.340 0.001 0.000 0.197 704 Q C 2.696 178.720 176.000 0.040 0.000 0.964 704 Q CA 0.582 56.406 55.803 0.035 0.000 0.838 704 Q CB -0.234 28.526 28.738 0.036 0.000 0.906 704 Q HN 0.475 nan 8.270 nan 0.000 0.444 705 I N 0.734 121.330 120.570 0.043 0.000 2.277 705 I HA -0.169 4.001 4.170 0.001 0.000 0.243 705 I C 2.251 178.403 176.117 0.059 0.000 1.094 705 I CA 0.688 62.018 61.300 0.050 0.000 1.393 705 I CB -0.432 37.603 38.000 0.059 0.000 1.078 705 I HN 0.079 nan 8.210 nan 0.000 0.417 706 I N 0.786 121.402 120.570 0.076 0.000 2.145 706 I HA -0.277 3.894 4.170 0.001 0.000 0.244 706 I C -0.439 175.737 176.117 0.099 0.000 1.075 706 I CA 1.813 63.180 61.300 0.111 0.000 1.332 706 I CB -1.714 36.373 38.000 0.146 0.000 1.033 706 I HN 0.210 nan 8.210 nan 0.000 0.410 707 P HA -0.067 nan 4.420 nan 0.000 0.218 707 P C 1.613 178.897 177.300 -0.026 0.000 1.152 707 P CA 1.320 64.448 63.100 0.047 0.000 0.826 707 P CB -0.079 31.666 31.700 0.075 0.000 0.790 708 T N -0.173 114.378 114.554 -0.005 0.000 2.622 708 T HA -0.217 4.133 4.350 0.001 0.000 0.266 708 T C 1.759 176.431 174.700 -0.046 0.000 1.047 708 T CA 1.745 63.829 62.100 -0.027 0.000 1.159 708 T CB -0.832 68.026 68.868 -0.015 0.000 0.863 708 T HN 0.032 nan 8.240 nan 0.000 0.422 709 M N 1.399 120.988 119.600 -0.018 0.000 2.080 709 M HA -0.033 4.448 4.480 0.001 0.000 0.260 709 M C 2.200 178.451 176.300 -0.081 0.000 1.068 709 M CA 1.531 56.826 55.300 -0.009 0.000 1.109 709 M CB -0.538 32.097 32.600 0.059 0.000 1.342 709 M HN -0.002 nan 8.290 nan 0.000 0.405 710 R N -0.278 120.112 120.500 -0.184 0.000 2.081 710 R HA -0.128 4.213 4.340 0.001 0.000 0.235 710 R C 2.233 178.152 176.300 -0.635 0.000 1.131 710 R CA 1.657 57.461 56.100 -0.494 0.000 0.960 710 R CB -0.202 29.664 30.300 -0.722 0.000 0.856 710 R HN 0.456 nan 8.270 nan 0.000 0.436 711 R N -0.297 119.984 120.500 -0.365 0.000 2.073 711 R HA 0.000 4.341 4.340 0.001 0.000 0.229 711 R C 2.361 178.650 176.300 -0.018 0.000 1.120 711 R CA 1.085 57.072 56.100 -0.190 0.000 0.967 711 R CB -0.332 29.980 30.300 0.021 0.000 0.862 711 R HN 0.212 nan 8.270 nan 0.000 0.436 712 A N 0.737 123.541 122.820 -0.027 0.000 1.908 712 A HA -0.178 4.142 4.320 0.001 0.000 0.218 712 A C 2.191 179.822 177.584 0.079 0.000 1.181 712 A CA 2.068 54.119 52.037 0.022 0.000 0.627 712 A CB -0.880 18.103 19.000 -0.030 0.000 0.818 712 A HN 0.262 nan 8.150 nan 0.000 0.445 713 T N -1.311 113.269 114.554 0.045 0.000 2.746 713 T HA -0.118 4.233 4.350 0.001 0.000 0.267 713 T C 1.779 176.619 174.700 0.234 0.000 1.039 713 T CA 1.499 63.679 62.100 0.134 0.000 1.142 713 T CB -0.388 68.560 68.868 0.134 0.000 0.866 713 T HN 0.487 nan 8.240 nan 0.000 0.444 714 Y N 1.486 121.713 120.300 -0.122 0.000 2.224 714 Y HA 0.083 4.634 4.550 0.001 0.000 0.289 714 Y C 2.673 178.606 175.900 0.056 0.000 1.146 714 Y CA -0.069 57.889 58.100 -0.237 0.000 1.182 714 Y CB -1.244 36.727 38.460 -0.816 0.000 0.983 714 Y HN 0.204 nan 8.280 nan 0.000 0.524 715 A N -0.120 122.904 122.820 0.339 0.000 1.855 715 A HA -0.086 4.234 4.320 0.001 0.000 0.215 715 A C 2.698 180.476 177.584 0.324 0.000 1.191 715 A CA 1.792 54.098 52.037 0.448 0.000 0.613 715 A CB -1.424 17.866 19.000 0.483 0.000 0.829 715 A HN 0.420 nan 8.150 nan 0.000 0.442 716 G N -1.291 107.652 108.800 0.238 0.000 2.440 716 G HA2 -0.256 3.704 3.960 0.001 0.000 0.218 716 G HA3 -0.256 3.704 3.960 0.001 0.000 0.218 716 G C 1.494 176.471 174.900 0.128 0.000 1.154 716 G CA 1.189 46.375 45.100 0.144 0.000 0.767 716 G HN 0.488 nan 8.290 nan 0.000 0.552 717 F N 0.665 120.654 119.950 0.065 0.000 2.051 717 F HA -0.048 4.479 4.527 0.001 0.000 0.296 717 F C 2.338 178.150 175.800 0.021 0.000 1.122 717 F CA 0.996 59.015 58.000 0.031 0.000 1.201 717 F CB -0.107 38.900 39.000 0.012 0.000 0.978 717 F HN -0.000 nan 8.300 nan 0.000 0.472 718 L N 0.399 121.822 121.223 0.333 0.000 2.261 718 L HA -0.168 4.173 4.340 0.001 0.000 0.216 718 L C 2.046 178.950 176.870 0.056 0.000 1.114 718 L CA 1.434 56.422 54.840 0.245 0.000 0.777 718 L CB -1.351 40.941 42.059 0.389 0.000 0.910 718 L HN 0.326 nan 8.230 nan 0.000 0.440 719 L N -1.324 119.879 121.223 -0.033 0.000 2.509 719 L HA 0.082 4.422 4.340 0.001 0.000 0.222 719 L C 1.763 178.517 176.870 -0.194 0.000 1.123 719 L CA 0.308 55.023 54.840 -0.208 0.000 0.856 719 L CB -0.221 41.661 42.059 -0.295 0.000 0.985 719 L HN 0.160 nan 8.230 nan 0.000 0.456 720 A N -0.434 122.269 122.820 -0.196 0.000 2.476 720 A HA 0.070 4.391 4.320 0.001 0.000 0.263 720 A C 0.131 177.580 177.584 -0.225 0.000 1.342 720 A CA -0.091 51.820 52.037 -0.209 0.000 0.926 720 A CB -0.461 18.403 19.000 -0.227 0.000 1.019 720 A HN 0.423 nan 8.150 nan 0.000 0.515 721 D N -0.800 119.486 120.400 -0.190 0.000 3.357 721 D HA -0.094 4.547 4.640 0.001 0.000 0.238 721 D C -2.722 173.460 176.300 -0.197 0.000 1.126 721 D CA 0.262 54.171 54.000 -0.152 0.000 0.984 721 D CB -0.834 39.896 40.800 -0.117 0.000 0.925 721 D HN 0.302 nan 8.370 nan 0.000 0.414 722 P HA 0.326 nan 4.420 nan 0.000 0.269 722 P C -0.483 176.765 177.300 -0.086 0.000 1.209 722 P CA 0.148 63.111 63.100 -0.229 0.000 0.776 722 P CB 0.659 32.316 31.700 -0.073 0.000 0.876 723 K N 1.110 121.488 120.400 -0.036 0.000 2.575 723 K HA 0.585 4.905 4.320 0.001 0.000 0.279 723 K C -0.895 175.755 176.600 0.084 0.000 0.969 723 K CA -0.707 55.588 56.287 0.013 0.000 0.868 723 K CB 1.604 34.102 32.500 -0.004 0.000 1.457 723 K HN 0.454 nan 8.250 nan 0.000 0.426 724 I N -1.658 118.963 120.570 0.084 0.000 2.693 724 I HA 0.518 4.688 4.170 0.001 0.000 0.303 724 I C -1.074 175.161 176.117 0.196 0.000 1.025 724 I CA -0.704 60.688 61.300 0.154 0.000 1.086 724 I CB 2.026 40.092 38.000 0.110 0.000 1.268 724 I HN 0.398 nan 8.210 nan 0.000 0.440 725 Q N 4.172 124.141 119.800 0.283 0.000 2.333 725 Q HA 0.376 4.716 4.340 0.001 0.000 0.267 725 Q C -1.204 175.164 176.000 0.612 0.000 1.012 725 Q CA -0.754 55.270 55.803 0.369 0.000 0.824 725 Q CB 2.565 31.487 28.738 0.307 0.000 1.290 725 Q HN 0.743 nan 8.270 nan 0.000 0.449 726 E N 2.634 123.145 120.200 0.519 0.000 2.214 726 E HA 0.513 4.863 4.350 0.001 0.000 0.274 726 E C -2.537 174.140 176.600 0.127 0.000 0.977 726 E CA -2.265 54.373 56.400 0.396 0.000 0.827 726 E CB 1.417 31.294 29.700 0.294 0.000 1.130 726 E HN 0.187 nan 8.360 nan 0.000 0.394 727 P HA 0.076 nan 4.420 nan 0.000 0.278 727 P C -0.628 176.292 177.300 -0.633 0.000 1.238 727 P CA -0.397 62.199 63.100 -0.839 0.000 0.794 727 P CB 1.227 32.301 31.700 -1.043 0.000 0.955 728 V N 3.156 122.614 119.914 -0.760 0.000 2.735 728 V HA 0.368 4.489 4.120 0.001 0.000 0.310 728 V C -0.150 175.544 176.094 -0.667 0.000 1.061 728 V CA -0.532 61.310 62.300 -0.764 0.000 0.913 728 V CB 1.511 32.675 31.823 -1.098 0.000 1.005 728 V HN 0.343 nan 8.190 nan 0.000 0.428 729 F N 3.306 123.081 119.950 -0.292 0.000 2.385 729 F HA 0.514 5.041 4.527 0.001 0.000 0.336 729 F C 0.215 175.982 175.800 -0.055 0.000 1.100 729 F CA -0.975 56.909 58.000 -0.194 0.000 1.116 729 F CB 1.412 40.297 39.000 -0.191 0.000 1.166 729 F HN 0.237 nan 8.300 nan 0.000 0.511 730 L N 5.367 126.716 121.223 0.210 0.000 2.297 730 L HA 0.462 4.803 4.340 0.001 0.000 0.277 730 L C -1.053 175.833 176.870 0.027 0.000 1.040 730 L CA -0.550 54.375 54.840 0.143 0.000 0.867 730 L CB 0.732 42.857 42.059 0.110 0.000 1.244 730 L HN 0.405 nan 8.230 nan 0.000 0.433 731 V N 5.809 125.713 119.914 -0.017 0.000 2.439 731 V HA 0.336 4.456 4.120 0.001 0.000 0.282 731 V C -0.192 175.875 176.094 -0.044 0.000 1.039 731 V CA -0.326 61.940 62.300 -0.056 0.000 0.913 731 V CB 1.829 33.615 31.823 -0.061 0.000 0.983 731 V HN 0.855 nan 8.190 nan 0.000 0.460 732 E N 6.604 126.779 120.200 -0.042 0.000 2.145 732 E HA 0.519 4.869 4.350 0.001 0.000 0.270 732 E C -1.251 175.339 176.600 -0.016 0.000 0.906 732 E CA -0.596 55.789 56.400 -0.024 0.000 0.761 732 E CB 1.341 31.036 29.700 -0.009 0.000 1.116 732 E HN 0.747 nan 8.360 nan 0.000 0.408 733 I N 3.586 124.157 120.570 0.001 0.000 2.433 733 I HA 0.230 4.400 4.170 0.001 0.000 0.292 733 I C -0.469 175.682 176.117 0.056 0.000 1.001 733 I CA -1.033 60.276 61.300 0.014 0.000 1.119 733 I CB 1.984 39.979 38.000 -0.009 0.000 1.289 733 I HN 0.443 nan 8.210 nan 0.000 0.438 734 Q N 4.275 124.142 119.800 0.111 0.000 2.257 734 Q HA 0.574 4.914 4.340 0.001 0.000 0.255 734 Q C -1.210 174.833 176.000 0.072 0.000 0.920 734 Q CA -0.069 55.800 55.803 0.110 0.000 0.927 734 Q CB 1.856 30.679 28.738 0.142 0.000 1.229 734 Q HN 0.695 nan 8.270 nan 0.000 0.433 735 C N 4.995 124.330 119.300 0.059 0.000 3.046 735 C HA 0.498 4.958 4.460 0.001 0.000 0.388 735 C C -2.778 172.224 174.990 0.020 0.000 1.041 735 C CA -1.681 57.353 59.018 0.027 0.000 1.241 735 C CB 1.351 29.099 27.740 0.014 0.000 1.638 735 C HN 0.646 nan 8.230 nan 0.000 0.539 736 P HA 0.068 nan 4.420 nan 0.000 0.261 736 P C 0.710 177.931 177.300 -0.133 0.000 1.183 736 P CA 0.799 63.889 63.100 -0.016 0.000 0.761 736 P CB 0.445 32.161 31.700 0.028 0.000 0.785 737 E N 3.338 123.323 120.200 -0.358 0.000 2.279 737 E HA -0.358 3.993 4.350 0.001 0.000 0.205 737 E C 1.314 177.773 176.600 -0.235 0.000 1.028 737 E CA 1.697 57.727 56.400 -0.617 0.000 0.830 737 E CB 0.151 29.318 29.700 -0.889 0.000 0.736 737 E HN 0.563 nan 8.360 nan 0.000 0.478 738 Q N -0.524 119.194 119.800 -0.136 0.000 2.083 738 Q HA -0.036 4.304 4.340 0.001 0.000 0.198 738 Q C 2.039 178.024 176.000 -0.025 0.000 0.969 738 Q CA 1.383 57.150 55.803 -0.060 0.000 0.838 738 Q CB -0.164 28.549 28.738 -0.042 0.000 0.900 738 Q HN 0.219 nan 8.270 nan 0.000 0.436 739 A N 0.866 123.670 122.820 -0.027 0.000 2.218 739 A HA 0.141 4.461 4.320 0.001 0.000 0.209 739 A C 2.114 179.693 177.584 -0.009 0.000 1.168 739 A CA 0.089 52.118 52.037 -0.013 0.000 0.804 739 A CB -0.152 18.837 19.000 -0.018 0.000 0.834 739 A HN 0.201 nan 8.150 nan 0.000 0.482 740 V N 0.082 119.999 119.914 0.005 0.000 2.828 740 V HA -0.218 3.902 4.120 0.001 0.000 0.260 740 V C 2.655 178.763 176.094 0.023 0.000 1.101 740 V CA 1.736 64.049 62.300 0.021 0.000 1.123 740 V CB -1.266 30.671 31.823 0.189 0.000 0.704 740 V HN 0.597 nan 8.190 nan 0.000 0.493 741 G N 0.544 109.395 108.800 0.086 0.000 2.421 741 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 741 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 741 G C 1.652 176.605 174.900 0.087 0.000 1.171 741 G CA 0.824 46.006 45.100 0.138 0.000 0.775 741 G HN 0.566 nan 8.290 nan 0.000 0.543 742 G N 1.047 109.864 108.800 0.029 0.000 2.475 742 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 742 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 742 G C 1.625 176.515 174.900 -0.017 0.000 1.125 742 G CA 0.936 46.041 45.100 0.008 0.000 0.755 742 G HN 0.320 nan 8.290 nan 0.000 0.565 743 I N 0.404 120.920 120.570 -0.091 0.000 2.039 743 I HA -0.188 3.983 4.170 0.001 0.000 0.233 743 I C 2.540 178.614 176.117 -0.071 0.000 1.040 743 I CA 1.227 62.432 61.300 -0.158 0.000 1.308 743 I CB -1.589 36.179 38.000 -0.387 0.000 1.035 743 I HN 0.201 nan 8.210 nan 0.000 0.392 744 Y N 1.107 121.452 120.300 0.076 0.000 2.348 744 Y HA -0.232 4.318 4.550 0.001 0.000 0.285 744 Y C 3.021 178.961 175.900 0.068 0.000 1.173 744 Y CA 1.475 59.617 58.100 0.070 0.000 1.263 744 Y CB -1.288 37.208 38.460 0.060 0.000 0.974 744 Y HN 0.230 nan 8.280 nan 0.000 0.547 745 S N -0.528 115.278 115.700 0.177 0.000 2.368 745 S HA -0.123 4.348 4.470 0.001 0.000 0.224 745 S C 2.060 176.729 174.600 0.115 0.000 1.029 745 S CA 1.482 59.758 58.200 0.126 0.000 0.988 745 S CB -0.553 62.698 63.200 0.085 0.000 0.838 745 S HN 0.202 nan 8.310 nan 0.000 0.462 746 V N 1.953 121.934 119.914 0.113 0.000 2.649 746 V HA 0.080 4.200 4.120 0.001 0.000 0.248 746 V C 2.286 178.497 176.094 0.195 0.000 1.054 746 V CA 1.029 63.416 62.300 0.144 0.000 1.073 746 V CB -0.599 31.303 31.823 0.132 0.000 0.699 746 V HN 0.457 nan 8.190 nan 0.000 0.463 747 L N 0.606 121.947 121.223 0.196 0.000 2.275 747 L HA -0.083 4.258 4.340 0.001 0.000 0.215 747 L C 1.811 178.767 176.870 0.143 0.000 1.119 747 L CA 1.023 55.969 54.840 0.177 0.000 0.790 747 L CB -0.543 41.626 42.059 0.184 0.000 0.919 747 L HN 0.430 nan 8.230 nan 0.000 0.443 748 N N 0.821 119.606 118.700 0.142 0.000 2.398 748 N HA -0.038 4.702 4.740 0.001 0.000 0.188 748 N C 0.867 176.434 175.510 0.095 0.000 1.122 748 N CA 0.517 53.634 53.050 0.111 0.000 0.866 748 N CB 0.228 38.778 38.487 0.105 0.000 0.970 748 N HN 0.552 nan 8.380 nan 0.000 0.462 749 K N -0.799 119.663 120.400 0.104 0.000 2.506 749 K HA 0.339 4.660 4.320 0.001 0.000 0.204 749 K C 0.201 176.859 176.600 0.098 0.000 1.045 749 K CA -0.232 56.111 56.287 0.093 0.000 1.074 749 K CB 0.710 33.266 32.500 0.093 0.000 0.842 749 K HN -0.260 nan 8.250 nan 0.000 0.514 750 K N 1.058 121.515 120.400 0.094 0.000 2.553 750 K HA 0.266 4.587 4.320 0.001 0.000 0.205 750 K C -0.551 176.081 176.600 0.054 0.000 1.168 750 K CA -0.247 56.085 56.287 0.075 0.000 1.043 750 K CB 0.626 33.164 32.500 0.063 0.000 0.967 750 K HN 0.196 nan 8.250 nan 0.000 0.585 751 R N -0.390 120.149 120.500 0.065 0.000 3.532 751 R HA -0.130 4.211 4.340 0.001 0.000 0.284 751 R C 0.253 176.592 176.300 0.065 0.000 1.140 751 R CA 0.617 56.754 56.100 0.063 0.000 0.768 751 R CB -2.235 28.099 30.300 0.056 0.000 1.252 751 R HN 0.324 nan 8.270 nan 0.000 0.454 752 G N 0.658 109.501 108.800 0.072 0.000 2.467 752 G HA2 0.272 4.232 3.960 0.001 0.000 0.257 752 G HA3 0.272 4.232 3.960 0.001 0.000 0.257 752 G C -0.435 174.531 174.900 0.111 0.000 1.227 752 G CA -0.301 44.847 45.100 0.080 0.000 0.835 752 G HN 0.191 nan 8.290 nan 0.000 0.556 753 Q N 1.392 121.273 119.800 0.135 0.000 2.320 753 Q HA 0.385 4.726 4.340 0.001 0.000 0.268 753 Q C -0.895 175.153 176.000 0.081 0.000 1.023 753 Q CA -0.656 55.233 55.803 0.143 0.000 0.744 753 Q CB 1.747 30.628 28.738 0.238 0.000 1.246 753 Q HN 0.342 nan 8.270 nan 0.000 0.462 754 V N 5.177 125.137 119.914 0.077 0.000 2.425 754 V HA -0.007 4.113 4.120 0.001 0.000 0.276 754 V C 1.121 177.196 176.094 -0.032 0.000 1.017 754 V CA 0.141 62.473 62.300 0.054 0.000 1.062 754 V CB 0.759 32.669 31.823 0.147 0.000 0.997 754 V HN 0.767 nan 8.190 nan 0.000 0.476 755 V N 3.566 123.392 119.914 -0.147 0.000 2.535 755 V HA 0.061 4.181 4.120 0.001 0.000 0.246 755 V C 0.866 176.896 176.094 -0.105 0.000 1.045 755 V CA 1.478 63.660 62.300 -0.198 0.000 1.058 755 V CB 0.140 31.701 31.823 -0.436 0.000 0.689 755 V HN 1.039 nan 8.190 nan 0.000 0.461 756 S N -1.001 114.652 115.700 -0.078 0.000 2.580 756 S HA 0.430 4.900 4.470 0.001 0.000 0.281 756 S C -1.285 173.296 174.600 -0.032 0.000 1.129 756 S CA -0.801 57.368 58.200 -0.052 0.000 0.862 756 S CB 2.173 65.335 63.200 -0.063 0.000 1.090 756 S HN 0.316 nan 8.310 nan 0.000 0.451 757 E N 1.006 121.179 120.200 -0.045 0.000 2.244 757 E HA 0.511 4.862 4.350 0.001 0.000 0.260 757 E C -1.047 175.451 176.600 -0.171 0.000 0.884 757 E CA -0.419 55.935 56.400 -0.077 0.000 0.777 757 E CB 1.107 30.788 29.700 -0.031 0.000 1.197 757 E HN 0.621 nan 8.360 nan 0.000 0.416 758 E N 2.037 122.140 120.200 -0.163 0.000 2.538 758 E HA 0.433 4.784 4.350 0.001 0.000 0.232 758 E C -0.529 175.974 176.600 -0.161 0.000 0.830 758 E CA -0.601 55.705 56.400 -0.158 0.000 0.916 758 E CB 1.496 31.156 29.700 -0.066 0.000 1.567 758 E HN 0.615 nan 8.360 nan 0.000 0.389 759 Q N -0.183 119.601 119.800 -0.026 0.000 2.728 759 Q HA 0.443 4.783 4.340 0.001 0.000 0.378 759 Q C -1.270 174.803 176.000 0.122 0.000 0.670 759 Q CA -0.486 55.394 55.803 0.128 0.000 0.915 759 Q CB 2.000 30.870 28.738 0.220 0.000 1.128 759 Q HN 0.288 nan 8.270 nan 0.000 0.483 760 R N 0.229 120.822 120.500 0.156 0.000 2.533 760 R HA 0.341 4.682 4.340 0.001 0.000 0.288 760 R C -2.156 174.198 176.300 0.091 0.000 1.039 760 R CA -1.577 54.589 56.100 0.110 0.000 0.909 760 R CB 1.512 31.889 30.300 0.127 0.000 1.195 760 R HN 0.370 nan 8.270 nan 0.000 0.438 761 P HA -0.248 nan 4.420 nan 0.000 0.222 761 P C 0.585 177.906 177.300 0.036 0.000 1.155 761 P CA 2.099 65.224 63.100 0.043 0.000 0.890 761 P CB 0.351 32.069 31.700 0.030 0.000 0.790 762 G N -2.122 106.698 108.800 0.032 0.000 2.728 762 G HA2 0.038 3.998 3.960 0.001 0.000 0.223 762 G HA3 0.038 3.998 3.960 0.001 0.000 0.223 762 G C 0.242 175.140 174.900 -0.003 0.000 1.379 762 G CA 0.747 45.851 45.100 0.007 0.000 0.870 762 G HN 0.374 nan 8.290 nan 0.000 0.591 763 T N 0.341 114.897 114.554 0.003 0.000 2.785 763 T HA 0.211 4.561 4.350 0.001 0.000 0.341 763 T C -2.002 172.710 174.700 0.020 0.000 1.093 763 T CA -0.292 61.791 62.100 -0.027 0.000 1.103 763 T CB 0.998 69.957 68.868 0.153 0.000 1.011 763 T HN 0.044 nan 8.240 nan 0.000 0.549 764 P HA 0.305 nan 4.420 nan 0.000 0.254 764 P C -0.417 176.873 177.300 -0.017 0.000 1.494 764 P CA -0.417 62.636 63.100 -0.080 0.000 0.961 764 P CB -0.074 31.544 31.700 -0.136 0.000 1.493 765 L N 0.654 121.993 121.223 0.194 0.000 2.268 765 L HA 0.342 4.683 4.340 0.001 0.000 0.289 765 L C -0.437 176.616 176.870 0.306 0.000 1.064 765 L CA -0.366 54.606 54.840 0.219 0.000 0.824 765 L CB -0.922 41.273 42.059 0.228 0.000 1.202 765 L HN -0.076 nan 8.230 nan 0.000 0.433 766 F N 2.485 122.474 119.950 0.065 0.000 2.370 766 F HA 0.329 4.857 4.527 0.000 0.000 0.324 766 F C 0.836 176.652 175.800 0.027 0.000 1.116 766 F CA -0.773 57.255 58.000 0.045 0.000 1.123 766 F CB 1.786 40.812 39.000 0.044 0.000 1.238 766 F HN 0.339 nan 8.300 nan 0.000 0.536 767 T N 2.684 117.348 114.554 0.182 0.000 3.009 767 T HA 0.416 4.766 4.350 0.001 0.000 0.346 767 T C -1.098 173.618 174.700 0.028 0.000 1.092 767 T CA -0.515 61.638 62.100 0.088 0.000 1.080 767 T CB 0.048 68.956 68.868 0.067 0.000 1.037 767 T HN 0.253 nan 8.240 nan 0.000 0.487 768 V N 5.984 125.909 119.914 0.018 0.000 2.498 768 V HA 0.495 4.616 4.120 0.001 0.000 0.279 768 V C 0.317 176.396 176.094 -0.026 0.000 1.048 768 V CA -0.522 61.768 62.300 -0.016 0.000 0.967 768 V CB 1.226 32.995 31.823 -0.090 0.000 0.988 768 V HN 0.722 nan 8.190 nan 0.000 0.473 769 K N 3.297 123.674 120.400 -0.038 0.000 2.292 769 K HA 0.848 5.169 4.320 0.001 0.000 0.257 769 K C -0.532 175.998 176.600 -0.118 0.000 0.940 769 K CA -0.353 55.887 56.287 -0.079 0.000 0.811 769 K CB 2.217 34.658 32.500 -0.098 0.000 1.120 769 K HN 0.859 nan 8.250 nan 0.000 0.428 770 A N 2.259 124.995 122.820 -0.140 0.000 2.594 770 A HA 0.589 4.909 4.320 0.001 0.000 0.291 770 A C -1.953 175.535 177.584 -0.160 0.000 1.105 770 A CA -0.723 51.218 52.037 -0.161 0.000 0.694 770 A CB 0.752 19.743 19.000 -0.014 0.000 1.291 770 A HN 0.534 nan 8.150 nan 0.000 0.410 771 Y N -0.035 120.279 120.300 0.023 0.000 2.326 771 Y HA 0.604 5.154 4.550 0.001 0.000 0.337 771 Y C -0.203 175.677 175.900 -0.033 0.000 1.023 771 Y CA -0.788 57.318 58.100 0.010 0.000 1.143 771 Y CB 1.641 40.147 38.460 0.077 0.000 1.183 771 Y HN 0.533 nan 8.280 nan 0.000 0.485 772 L N 7.039 128.325 121.223 0.106 0.000 2.404 772 L HA 0.631 4.972 4.340 0.001 0.000 0.272 772 L C -2.874 173.966 176.870 -0.049 0.000 0.980 772 L CA -2.615 52.207 54.840 -0.030 0.000 0.836 772 L CB 1.910 43.835 42.059 -0.223 0.000 1.238 772 L HN 0.285 nan 8.230 nan 0.000 0.408 773 P HA 0.018 nan 4.420 nan 0.000 0.260 773 P C 1.083 178.279 177.300 -0.174 0.000 1.207 773 P CA 0.073 63.091 63.100 -0.137 0.000 0.780 773 P CB 0.580 32.251 31.700 -0.049 0.000 0.789 774 V N 3.528 123.220 119.914 -0.371 0.000 2.439 774 V HA -0.293 3.828 4.120 0.001 0.000 0.253 774 V C 1.996 177.924 176.094 -0.276 0.000 1.074 774 V CA 2.293 64.326 62.300 -0.444 0.000 1.076 774 V CB -1.091 30.256 31.823 -0.794 0.000 0.664 774 V HN 0.699 nan 8.190 nan 0.000 0.461 775 N N -0.255 118.368 118.700 -0.130 0.000 2.449 775 N HA -0.094 4.647 4.740 0.001 0.000 0.191 775 N C 1.084 176.675 175.510 0.136 0.000 1.161 775 N CA 0.591 53.691 53.050 0.083 0.000 0.863 775 N CB 0.146 38.737 38.487 0.174 0.000 0.980 775 N HN 0.520 nan 8.380 nan 0.000 0.458 776 E N 0.064 120.273 120.200 0.015 0.000 2.601 776 E HA 0.060 4.410 4.350 0.001 0.000 0.219 776 E C 0.254 176.848 176.600 -0.011 0.000 0.964 776 E CA 0.114 56.542 56.400 0.046 0.000 1.050 776 E CB 0.648 30.359 29.700 0.019 0.000 1.068 776 E HN 0.448 nan 8.360 nan 0.000 0.496 777 S N -0.176 115.450 115.700 -0.124 0.000 2.583 777 S HA 0.232 4.702 4.470 0.001 0.000 0.239 777 S C 0.210 174.737 174.600 -0.121 0.000 0.966 777 S CA -0.572 57.529 58.200 -0.164 0.000 0.973 777 S CB -0.562 62.543 63.200 -0.159 0.000 0.794 777 S HN -0.075 nan 8.310 nan 0.000 0.463 778 F N 2.703 122.722 119.950 0.114 0.000 2.438 778 F HA 0.554 5.081 4.527 0.001 0.000 0.360 778 F C 1.588 177.451 175.800 0.107 0.000 1.118 778 F CA 0.092 58.153 58.000 0.101 0.000 1.164 778 F CB 0.560 39.606 39.000 0.077 0.000 1.131 778 F HN 0.361 nan 8.300 nan 0.000 0.527 779 G N 3.123 112.082 108.800 0.264 0.000 2.143 779 G HA2 -0.389 3.572 3.960 0.001 0.000 0.248 779 G HA3 -0.389 3.572 3.960 0.001 0.000 0.248 779 G C 1.011 176.005 174.900 0.157 0.000 0.991 779 G CA 0.309 45.508 45.100 0.165 0.000 0.689 779 G HN 0.607 nan 8.290 nan 0.000 0.522 780 F N 1.867 121.822 119.950 0.008 0.000 2.015 780 F HA -0.145 4.382 4.527 0.001 0.000 0.297 780 F C 2.639 178.418 175.800 -0.035 0.000 1.141 780 F CA 3.038 61.026 58.000 -0.020 0.000 1.192 780 F CB -0.979 37.983 39.000 -0.064 0.000 0.957 780 F HN 0.169 nan 8.300 nan 0.000 0.491 781 T N 0.406 114.858 114.554 -0.171 0.000 2.649 781 T HA -0.244 4.106 4.350 0.001 0.000 0.268 781 T C 2.107 176.680 174.700 -0.211 0.000 1.036 781 T CA 1.889 63.814 62.100 -0.293 0.000 1.157 781 T CB -1.442 67.333 68.868 -0.154 0.000 0.861 781 T HN 0.533 nan 8.240 nan 0.000 0.445 782 G N 1.215 109.953 108.800 -0.103 0.000 2.529 782 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 782 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 782 G C 1.445 176.296 174.900 -0.080 0.000 1.177 782 G CA 1.136 46.198 45.100 -0.064 0.000 0.773 782 G HN 0.573 nan 8.290 nan 0.000 0.573 783 E N -0.375 119.770 120.200 -0.091 0.000 2.152 783 E HA -0.018 4.332 4.350 0.001 0.000 0.192 783 E C 2.330 178.837 176.600 -0.156 0.000 0.983 783 E CA 0.398 56.748 56.400 -0.083 0.000 0.818 783 E CB -0.112 29.578 29.700 -0.017 0.000 0.758 783 E HN 0.352 nan 8.360 nan 0.000 0.467 784 L N 0.959 121.988 121.223 -0.323 0.000 2.376 784 L HA -0.058 4.282 4.340 0.001 0.000 0.219 784 L C 2.164 178.915 176.870 -0.198 0.000 1.133 784 L CA 1.158 55.789 54.840 -0.349 0.000 0.816 784 L CB -0.133 41.541 42.059 -0.643 0.000 0.933 784 L HN -0.122 nan 8.230 nan 0.000 0.449 785 R N -0.599 119.810 120.500 -0.152 0.000 2.061 785 R HA -0.156 4.184 4.340 0.001 0.000 0.230 785 R C 2.259 178.526 176.300 -0.055 0.000 1.140 785 R CA 1.837 57.889 56.100 -0.080 0.000 0.940 785 R CB -0.400 29.873 30.300 -0.045 0.000 0.839 785 R HN 0.377 nan 8.270 nan 0.000 0.429 786 Q N -0.325 119.447 119.800 -0.047 0.000 1.993 786 Q HA -0.035 4.305 4.340 0.001 0.000 0.202 786 Q C 2.059 178.042 176.000 -0.029 0.000 0.984 786 Q CA 2.309 58.095 55.803 -0.027 0.000 0.837 786 Q CB -0.509 28.219 28.738 -0.017 0.000 0.902 786 Q HN 0.455 nan 8.270 nan 0.000 0.423 787 A N 0.278 123.075 122.820 -0.038 0.000 1.881 787 A HA -0.252 4.068 4.320 0.001 0.000 0.219 787 A C 1.977 179.544 177.584 -0.028 0.000 1.215 787 A CA 2.417 54.437 52.037 -0.030 0.000 0.648 787 A CB -1.398 17.577 19.000 -0.041 0.000 0.832 787 A HN 0.539 nan 8.150 nan 0.000 0.455 788 T N -3.610 110.917 114.554 -0.046 0.000 3.284 788 T HA 0.454 4.805 4.350 0.001 0.000 0.249 788 T C 1.077 175.760 174.700 -0.028 0.000 0.944 788 T CA 0.782 62.860 62.100 -0.037 0.000 0.919 788 T CB -0.451 68.386 68.868 -0.050 0.000 1.089 788 T HN 1.755 nan 8.240 nan 0.000 0.576 789 G N 0.944 109.731 108.800 -0.022 0.000 2.352 789 G HA2 -0.068 3.893 3.960 0.001 0.000 0.295 789 G HA3 -0.068 3.893 3.960 0.001 0.000 0.295 789 G C 1.192 176.082 174.900 -0.018 0.000 0.991 789 G CA 0.417 45.508 45.100 -0.016 0.000 0.796 789 G HN 1.911 nan 8.290 nan 0.000 0.511 790 G N -1.871 106.914 108.800 -0.025 0.000 2.162 790 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 790 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 790 G C 0.800 175.692 174.900 -0.014 0.000 0.976 790 G CA 1.262 46.350 45.100 -0.020 0.000 0.655 790 G HN 0.887 nan 8.290 nan 0.000 0.533 791 Q N -0.075 119.715 119.800 -0.017 0.000 2.424 791 Q HA 0.559 4.899 4.340 0.001 0.000 0.204 791 Q C 1.602 177.598 176.000 -0.006 0.000 0.933 791 Q CA 0.707 56.499 55.803 -0.018 0.000 0.929 791 Q CB 0.400 29.126 28.738 -0.020 0.000 1.037 791 Q HN 0.864 nan 8.270 nan 0.000 0.511 792 A N 0.611 123.429 122.820 -0.004 0.000 2.366 792 A HA 0.327 4.647 4.320 0.001 0.000 0.272 792 A C -0.989 176.642 177.584 0.079 0.000 1.135 792 A CA -0.221 51.822 52.037 0.011 0.000 0.804 792 A CB 0.049 19.020 19.000 -0.048 0.000 1.064 792 A HN 0.296 nan 8.150 nan 0.000 0.499 793 F N 5.317 125.224 119.950 -0.072 0.000 2.307 793 F HA 0.492 5.020 4.527 0.001 0.000 0.369 793 F C -2.485 173.289 175.800 -0.043 0.000 1.076 793 F CA -2.860 55.105 58.000 -0.058 0.000 1.149 793 F CB 1.248 40.215 39.000 -0.055 0.000 1.410 793 F HN 0.297 nan 8.300 nan 0.000 0.481 794 P HA 0.184 nan 4.420 nan 0.000 0.272 794 P C -1.456 175.578 177.300 -0.443 0.000 1.223 794 P CA -0.079 62.842 63.100 -0.297 0.000 0.784 794 P CB 0.661 32.226 31.700 -0.226 0.000 0.923 795 Q N 1.681 121.333 119.800 -0.247 0.000 2.487 795 Q HA 0.378 4.718 4.340 0.001 0.000 0.234 795 Q C -1.424 174.486 176.000 -0.151 0.000 0.828 795 Q CA -0.293 55.376 55.803 -0.224 0.000 0.907 795 Q CB 0.780 29.411 28.738 -0.177 0.000 1.462 795 Q HN 0.449 nan 8.270 nan 0.000 0.442 796 M N 0.855 120.333 119.600 -0.203 0.000 2.530 796 M HA 0.840 5.321 4.480 0.001 0.000 0.307 796 M C -1.437 174.733 176.300 -0.216 0.000 1.161 796 M CA -1.159 53.990 55.300 -0.252 0.000 0.903 796 M CB 2.332 34.637 32.600 -0.491 0.000 1.711 796 M HN 0.240 nan 8.290 nan 0.000 0.451 797 V N 2.521 122.404 119.914 -0.052 0.000 2.962 797 V HA 0.601 4.721 4.120 0.001 0.000 0.313 797 V C -1.311 174.973 176.094 0.317 0.000 1.099 797 V CA -0.715 61.642 62.300 0.096 0.000 0.971 797 V CB 2.442 34.292 31.823 0.046 0.000 1.028 797 V HN 0.804 nan 8.190 nan 0.000 0.430 798 F N 4.186 124.283 119.950 0.244 0.000 2.572 798 F HA 0.288 4.816 4.527 0.001 0.000 0.370 798 F C 0.646 176.428 175.800 -0.030 0.000 1.103 798 F CA 1.074 59.104 58.000 0.050 0.000 1.286 798 F CB 1.082 40.010 39.000 -0.121 0.000 1.105 798 F HN 0.802 nan 8.300 nan 0.000 0.583 799 D N 1.565 121.184 120.400 -1.301 0.000 3.099 799 D HA 0.122 4.762 4.640 0.001 0.000 0.291 799 D C -0.580 175.041 176.300 -1.132 0.000 1.209 799 D CA 0.865 54.306 54.000 -0.933 0.000 1.032 799 D CB 0.256 40.915 40.800 -0.234 0.000 1.324 799 D HN 0.767 nan 8.370 nan 0.000 0.440 800 H N -3.698 114.652 119.070 -1.200 0.000 2.905 800 H HA 0.535 5.091 4.556 0.001 0.000 0.280 800 H C -1.815 173.205 175.328 -0.514 0.000 1.445 800 H CA -1.298 54.349 56.048 -0.668 0.000 1.165 800 H CB 0.176 29.704 29.762 -0.390 0.000 1.857 800 H HN -0.023 nan 8.280 nan 0.000 0.567 801 W N 0.284 121.667 121.300 0.138 0.000 2.606 801 W HA 0.650 5.311 4.660 0.001 0.000 0.332 801 W C -0.235 176.393 176.519 0.182 0.000 1.052 801 W CA -0.886 56.529 57.345 0.117 0.000 1.223 801 W CB 2.323 31.873 29.460 0.151 0.000 1.383 801 W HN 0.608 nan 8.180 nan 0.000 0.524 802 S N 1.363 117.241 115.700 0.297 0.000 2.552 802 S HA 0.429 4.900 4.470 0.001 0.000 0.314 802 S C -0.508 174.223 174.600 0.219 0.000 1.099 802 S CA -0.534 57.803 58.200 0.230 0.000 1.070 802 S CB 0.578 63.864 63.200 0.142 0.000 0.998 802 S HN 0.323 nan 8.310 nan 0.000 0.474 803 T N 6.728 121.387 114.554 0.176 0.000 2.743 803 T HA 0.238 4.588 4.350 0.001 0.000 0.290 803 T C 0.406 175.169 174.700 0.106 0.000 0.908 803 T CA -0.159 62.025 62.100 0.140 0.000 1.092 803 T CB -0.404 68.524 68.868 0.100 0.000 0.882 803 T HN 0.543 nan 8.240 nan 0.000 0.531 804 L N 2.738 124.027 121.223 0.110 0.000 2.485 804 L HA 0.185 4.525 4.340 0.001 0.000 0.275 804 L C 1.834 178.731 176.870 0.044 0.000 1.207 804 L CA -0.273 54.612 54.840 0.074 0.000 0.855 804 L CB 0.043 42.136 42.059 0.058 0.000 1.114 804 L HN 0.754 nan 8.230 nan 0.000 0.485 805 G N 1.591 110.411 108.800 0.032 0.000 2.396 805 G HA2 -0.117 3.844 3.960 0.001 0.000 0.214 805 G HA3 -0.117 3.844 3.960 0.001 0.000 0.214 805 G C 0.860 175.762 174.900 0.004 0.000 1.166 805 G CA 0.418 45.529 45.100 0.018 0.000 0.793 805 G HN 0.716 nan 8.290 nan 0.000 0.533 806 S N 0.507 116.207 115.700 0.001 0.000 2.553 806 S HA 0.061 4.532 4.470 0.001 0.000 0.271 806 S C -0.198 174.388 174.600 -0.023 0.000 1.362 806 S CA -0.153 58.040 58.200 -0.012 0.000 1.010 806 S CB 0.982 64.171 63.200 -0.017 0.000 0.865 806 S HN 0.205 nan 8.310 nan 0.000 0.543 807 D N 1.705 122.088 120.400 -0.028 0.000 2.339 807 D HA 0.267 4.908 4.640 0.001 0.000 0.241 807 D C -1.060 175.210 176.300 -0.051 0.000 1.183 807 D CA -2.472 51.508 54.000 -0.033 0.000 0.859 807 D CB 1.100 41.886 40.800 -0.024 0.000 1.067 807 D HN 0.271 nan 8.370 nan 0.000 0.484 808 P HA -0.104 nan 4.420 nan 0.000 0.228 808 P C 1.182 178.425 177.300 -0.095 0.000 1.151 808 P CA 0.661 63.692 63.100 -0.114 0.000 0.770 808 P CB 0.359 31.990 31.700 -0.114 0.000 0.786 809 L N -1.163 120.032 121.223 -0.047 0.000 2.529 809 L HA 0.203 4.543 4.340 0.001 0.000 0.223 809 L C 1.152 178.006 176.870 -0.027 0.000 1.113 809 L CA 0.221 55.046 54.840 -0.025 0.000 0.861 809 L CB -0.394 41.670 42.059 0.008 0.000 1.012 809 L HN -0.094 nan 8.230 nan 0.000 0.461 810 D N 0.987 121.366 120.400 -0.035 0.000 2.411 810 D HA 0.147 4.787 4.640 0.001 0.000 0.225 810 D C -1.724 174.551 176.300 -0.041 0.000 1.156 810 D CA -1.978 52.004 54.000 -0.030 0.000 0.874 810 D CB 1.796 42.581 40.800 -0.024 0.000 1.034 810 D HN -0.137 nan 8.370 nan 0.000 0.502 811 P HA -0.221 nan 4.420 nan 0.000 0.217 811 P C 1.409 178.686 177.300 -0.039 0.000 1.162 811 P CA 2.237 65.311 63.100 -0.042 0.000 0.901 811 P CB -0.005 31.679 31.700 -0.028 0.000 0.793 812 T N -3.416 111.122 114.554 -0.027 0.000 2.962 812 T HA -0.070 4.280 4.350 0.001 0.000 0.270 812 T C 1.119 175.806 174.700 -0.023 0.000 1.088 812 T CA 0.701 62.788 62.100 -0.021 0.000 1.127 812 T CB -1.162 67.698 68.868 -0.013 0.000 0.883 812 T HN 0.264 nan 8.240 nan 0.000 0.493 813 S N 0.700 116.382 115.700 -0.029 0.000 2.587 813 S HA 0.192 4.662 4.470 0.001 0.000 0.260 813 S C 1.224 175.803 174.600 -0.035 0.000 1.353 813 S CA -0.631 57.552 58.200 -0.028 0.000 0.995 813 S CB 0.755 63.935 63.200 -0.033 0.000 0.912 813 S HN 0.380 nan 8.310 nan 0.000 0.568 814 K N 0.839 121.223 120.400 -0.026 0.000 2.057 814 K HA -0.106 4.215 4.320 0.001 0.000 0.207 814 K C 2.434 179.000 176.600 -0.057 0.000 1.049 814 K CA 1.466 57.738 56.287 -0.024 0.000 0.931 814 K CB -0.723 31.776 32.500 -0.002 0.000 0.714 814 K HN 0.756 nan 8.250 nan 0.000 0.440 815 A N 0.785 123.557 122.820 -0.079 0.000 1.897 815 A HA -0.025 4.295 4.320 0.001 0.000 0.215 815 A C 2.361 179.819 177.584 -0.210 0.000 1.181 815 A CA 1.622 53.568 52.037 -0.151 0.000 0.620 815 A CB -0.906 18.017 19.000 -0.129 0.000 0.821 815 A HN 0.417 nan 8.150 nan 0.000 0.443 816 G N -0.379 108.331 108.800 -0.149 0.000 2.479 816 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 816 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 816 G C 1.399 176.213 174.900 -0.143 0.000 1.115 816 G CA 1.146 46.156 45.100 -0.150 0.000 0.757 816 G HN 0.692 nan 8.290 nan 0.000 0.560 817 E N 0.024 120.155 120.200 -0.114 0.000 2.047 817 E HA -0.093 4.258 4.350 0.001 0.000 0.191 817 E C 2.433 178.969 176.600 -0.107 0.000 0.987 817 E CA 0.580 56.931 56.400 -0.082 0.000 0.799 817 E CB -0.081 29.591 29.700 -0.048 0.000 0.752 817 E HN 0.318 nan 8.360 nan 0.000 0.449 818 I N 0.996 121.467 120.570 -0.165 0.000 2.179 818 I HA -0.217 3.953 4.170 0.001 0.000 0.242 818 I C 2.512 178.455 176.117 -0.290 0.000 1.088 818 I CA 0.827 62.003 61.300 -0.206 0.000 1.357 818 I CB -1.076 36.693 38.000 -0.385 0.000 1.051 818 I HN 0.126 nan 8.210 nan 0.000 0.409 819 V N 1.892 121.511 119.914 -0.492 0.000 2.295 819 V HA -0.264 3.856 4.120 0.001 0.000 0.246 819 V C 2.680 178.645 176.094 -0.215 0.000 1.049 819 V CA 2.145 64.066 62.300 -0.631 0.000 1.024 819 V CB -0.768 30.685 31.823 -0.617 0.000 0.648 819 V HN 0.495 nan 8.190 nan 0.000 0.447 820 L N 0.160 121.302 121.223 -0.135 0.000 2.156 820 L HA 0.109 4.450 4.340 0.001 0.000 0.208 820 L C 2.379 179.245 176.870 -0.005 0.000 1.095 820 L CA 2.094 56.906 54.840 -0.046 0.000 0.770 820 L CB -0.975 41.059 42.059 -0.042 0.000 0.914 820 L HN 0.104 nan 8.230 nan 0.000 0.439 821 A N 0.671 123.483 122.820 -0.013 0.000 1.877 821 A HA -0.013 4.307 4.320 0.001 0.000 0.216 821 A C 2.571 180.183 177.584 0.045 0.000 1.186 821 A CA 1.945 53.990 52.037 0.013 0.000 0.620 821 A CB -1.183 17.824 19.000 0.012 0.000 0.822 821 A HN 0.618 nan 8.150 nan 0.000 0.443 822 A N -0.348 122.533 122.820 0.103 0.000 1.877 822 A HA -0.174 4.147 4.320 0.001 0.000 0.216 822 A C 2.247 179.966 177.584 0.224 0.000 1.186 822 A CA 1.588 53.745 52.037 0.200 0.000 0.620 822 A CB -0.536 18.773 19.000 0.514 0.000 0.822 822 A HN 0.529 nan 8.150 nan 0.000 0.443 823 R N -0.173 120.468 120.500 0.235 0.000 2.096 823 R HA -0.186 4.154 4.340 0.001 0.000 0.240 823 R C 2.276 178.665 176.300 0.148 0.000 1.139 823 R CA 2.014 58.245 56.100 0.218 0.000 0.952 823 R CB -0.332 30.050 30.300 0.136 0.000 0.854 823 R HN 0.571 nan 8.270 nan 0.000 0.436 824 K N -0.016 120.433 120.400 0.081 0.000 2.002 824 K HA -0.188 4.133 4.320 0.001 0.000 0.209 824 K C 2.169 178.786 176.600 0.029 0.000 1.048 824 K CA 1.399 57.715 56.287 0.048 0.000 0.930 824 K CB -0.263 32.252 32.500 0.025 0.000 0.714 824 K HN 0.094 nan 8.250 nan 0.000 0.438 825 R N 0.697 121.188 120.500 -0.015 0.000 2.119 825 R HA -0.196 4.144 4.340 0.001 0.000 0.246 825 R C 1.805 178.030 176.300 -0.124 0.000 1.146 825 R CA 1.649 57.688 56.100 -0.101 0.000 0.962 825 R CB -0.158 30.030 30.300 -0.186 0.000 0.863 825 R HN 0.378 nan 8.270 nan 0.000 0.442 826 H N -1.202 117.906 119.070 0.063 0.000 2.547 826 H HA 0.126 4.683 4.556 0.001 0.000 0.266 826 H C 0.937 176.293 175.328 0.047 0.000 0.988 826 H CA 0.943 57.024 56.048 0.056 0.000 1.147 826 H CB 0.519 30.321 29.762 0.067 0.000 1.365 826 H HN 0.576 nan 8.280 nan 0.000 0.589 827 G N 1.420 110.299 108.800 0.131 0.000 2.221 827 G HA2 -0.292 3.668 3.960 0.001 0.000 0.265 827 G HA3 -0.292 3.668 3.960 0.001 0.000 0.265 827 G C 0.224 175.182 174.900 0.097 0.000 1.041 827 G CA 0.436 45.591 45.100 0.091 0.000 0.807 827 G HN 0.257 nan 8.290 nan 0.000 0.502 828 M N -0.838 118.833 119.600 0.118 0.000 2.471 828 M HA 0.436 4.917 4.480 0.001 0.000 0.309 828 M C 0.795 177.140 176.300 0.075 0.000 1.186 828 M CA -0.760 54.600 55.300 0.100 0.000 1.008 828 M CB 0.994 33.666 32.600 0.120 0.000 1.551 828 M HN 0.085 nan 8.290 nan 0.000 0.477 829 K N 1.293 121.729 120.400 0.061 0.000 2.484 829 K HA -0.044 4.276 4.320 0.001 0.000 0.280 829 K C 0.520 177.147 176.600 0.044 0.000 1.013 829 K CA 0.283 56.595 56.287 0.043 0.000 1.029 829 K CB 0.532 33.051 32.500 0.032 0.000 0.902 829 K HN 0.624 nan 8.250 nan 0.000 0.481 830 E N 2.404 122.624 120.200 0.033 0.000 2.171 830 E HA -0.197 4.154 4.350 0.001 0.000 0.197 830 E C -0.360 176.252 176.600 0.020 0.000 0.997 830 E CA 1.237 57.653 56.400 0.028 0.000 0.810 830 E CB 0.100 29.810 29.700 0.017 0.000 0.738 830 E HN 0.546 nan 8.360 nan 0.000 0.467 831 E N 0.469 120.678 120.200 0.016 0.000 2.249 831 E HA 0.165 4.516 4.350 0.001 0.000 0.280 831 E C -0.813 175.801 176.600 0.023 0.000 1.016 831 E CA -0.330 56.076 56.400 0.010 0.000 0.830 831 E CB 1.698 31.399 29.700 0.002 0.000 1.081 831 E HN -0.166 nan 8.360 nan 0.000 0.395 832 V N 4.845 124.774 119.914 0.025 0.000 2.521 832 V HA 0.129 4.250 4.120 0.001 0.000 0.286 832 V C -1.917 174.211 176.094 0.057 0.000 1.034 832 V CA -1.499 60.831 62.300 0.049 0.000 1.045 832 V CB 0.055 31.907 31.823 0.050 0.000 0.974 832 V HN 0.638 nan 8.190 nan 0.000 0.480 833 P HA 0.126 nan 4.420 nan 0.000 0.264 833 P C 0.509 177.854 177.300 0.075 0.000 1.183 833 P CA 0.455 63.579 63.100 0.040 0.000 0.763 833 P CB 0.397 32.135 31.700 0.064 0.000 0.807 834 G N 2.796 111.581 108.800 -0.025 0.000 2.634 834 G HA2 0.028 3.989 3.960 0.001 0.000 0.255 834 G HA3 0.028 3.989 3.960 0.001 0.000 0.255 834 G C 0.924 175.848 174.900 0.040 0.000 1.205 834 G CA -0.627 44.464 45.100 -0.016 0.000 0.884 834 G HN 0.736 nan 8.290 nan 0.000 0.549 835 W N -0.029 121.336 121.300 0.108 0.000 2.392 835 W HA -0.107 4.554 4.660 0.001 0.000 0.279 835 W C 1.484 178.086 176.519 0.138 0.000 1.225 835 W CA 0.843 58.301 57.345 0.190 0.000 1.233 835 W CB -0.630 28.908 29.460 0.130 0.000 1.122 835 W HN 0.531 nan 8.180 nan 0.000 0.561 836 Q N 1.348 120.590 119.800 -0.930 0.000 2.234 836 Q HA -0.206 4.134 4.340 0.001 0.000 0.206 836 Q C 1.903 177.707 176.000 -0.327 0.000 0.980 836 Q CA 2.403 57.702 55.803 -0.839 0.000 0.869 836 Q CB -0.494 27.697 28.738 -0.912 0.000 0.912 836 Q HN 0.300 nan 8.270 nan 0.000 0.436 837 E N -0.985 119.012 120.200 -0.338 0.000 2.153 837 E HA -0.158 4.193 4.350 0.001 0.000 0.194 837 E C 0.852 177.197 176.600 -0.424 0.000 0.988 837 E CA 1.109 57.252 56.400 -0.428 0.000 0.811 837 E CB 0.032 29.346 29.700 -0.643 0.000 0.746 837 E HN 0.548 nan 8.360 nan 0.000 0.466 838 Y N -2.395 117.969 120.300 0.108 0.000 2.458 838 Y HA 0.141 4.692 4.550 0.001 0.000 0.254 838 Y C 0.508 176.511 175.900 0.171 0.000 1.120 838 Y CA -0.484 57.700 58.100 0.140 0.000 1.282 838 Y CB 0.189 38.772 38.460 0.206 0.000 1.109 838 Y HN -0.021 nan 8.280 nan 0.000 0.526 839 Y N 1.657 122.071 120.300 0.190 0.000 2.299 839 Y HA 0.119 4.669 4.550 0.001 0.000 0.335 839 Y C 0.543 176.477 175.900 0.056 0.000 1.287 839 Y CA -1.066 57.141 58.100 0.179 0.000 1.424 839 Y CB 0.436 39.070 38.460 0.291 0.000 1.326 839 Y HN -0.070 nan 8.280 nan 0.000 0.567 840 D N 2.632 122.955 120.400 -0.128 0.000 2.493 840 D HA -0.020 4.621 4.640 0.001 0.000 0.240 840 D C -0.759 175.603 176.300 0.104 0.000 1.142 840 D CA 0.225 54.186 54.000 -0.065 0.000 0.872 840 D CB 0.593 41.272 40.800 -0.202 0.000 1.173 840 D HN 0.282 nan 8.370 nan 0.000 0.467 841 K N 4.392 124.813 120.400 0.035 0.000 2.111 841 K HA 0.169 4.490 4.320 0.001 0.000 0.249 841 K C -0.508 176.108 176.600 0.028 0.000 1.157 841 K CA -0.396 55.905 56.287 0.023 0.000 1.048 841 K CB -0.097 32.394 32.500 -0.015 0.000 1.498 841 K HN 0.312 nan 8.250 nan 0.000 0.344 842 L N 0.000 121.264 121.223 0.068 0.000 2.949 842 L HA 0.000 4.341 4.340 0.001 0.000 0.249 842 L CA 0.000 54.879 54.840 0.065 0.000 0.813 842 L CB 0.000 42.118 42.059 0.098 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502