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 1n0v_1_D DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAAKX 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 TLHADAIHRG 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 0.000 175.816 176.094 -0.463 0.000 1.182 2 V CA 0.000 62.087 62.300 -0.355 0.000 1.235 2 V CB 0.000 31.482 31.823 -0.568 0.000 1.184 3 A N 6.092 128.655 122.820 -0.430 0.000 2.309 3 A HA 0.939 5.259 4.320 -0.000 0.000 0.298 3 A C -1.191 176.162 177.584 -0.386 0.000 1.165 3 A CA -0.126 51.739 52.037 -0.287 0.000 0.821 3 A CB 0.523 19.434 19.000 -0.148 0.000 1.102 3 A HN 0.880 nan 8.150 nan 0.000 0.500 4 F N -0.022 119.895 119.950 -0.054 0.000 2.599 4 F HA 0.557 5.084 4.527 -0.000 0.000 0.311 4 F C 0.844 176.618 175.800 -0.044 0.000 1.076 4 F CA -0.419 57.538 58.000 -0.072 0.000 0.937 4 F CB 2.358 41.302 39.000 -0.094 0.000 1.282 4 F HN 0.679 nan 8.300 nan 0.000 0.460 5 T N -1.526 113.139 114.554 0.186 0.000 2.918 5 T HA 0.418 4.768 4.350 -0.000 0.000 0.283 5 T C 1.039 175.767 174.700 0.047 0.000 1.001 5 T CA -0.697 61.451 62.100 0.081 0.000 1.041 5 T CB 1.343 70.240 68.868 0.048 0.000 1.028 5 T HN 0.311 nan 8.240 nan 0.000 0.511 6 V N 1.376 121.307 119.914 0.028 0.000 2.317 6 V HA -0.220 3.899 4.120 -0.000 0.000 0.251 6 V C 2.463 178.546 176.094 -0.017 0.000 1.065 6 V CA 2.232 64.537 62.300 0.009 0.000 1.049 6 V CB -0.752 31.076 31.823 0.007 0.000 0.651 6 V HN 0.912 nan 8.190 nan 0.000 0.450 7 D N -0.650 119.737 120.400 -0.020 0.000 2.144 7 D HA -0.178 4.461 4.640 -0.000 0.000 0.199 7 D C 2.318 178.572 176.300 -0.077 0.000 0.984 7 D CA 1.261 55.237 54.000 -0.040 0.000 0.834 7 D CB -0.115 40.667 40.800 -0.029 0.000 0.955 7 D HN 0.584 nan 8.370 nan 0.000 0.465 8 Q N -0.257 119.487 119.800 -0.093 0.000 2.084 8 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 8 Q C 2.296 178.114 176.000 -0.303 0.000 0.978 8 Q CA 0.903 56.573 55.803 -0.223 0.000 0.844 8 Q CB -0.017 28.575 28.738 -0.243 0.000 0.898 8 Q HN 0.258 nan 8.270 nan 0.000 0.426 9 M N 0.215 119.696 119.600 -0.199 0.000 2.059 9 M HA -0.147 4.332 4.480 -0.000 0.000 0.259 9 M C 2.224 178.457 176.300 -0.111 0.000 1.072 9 M CA 1.472 56.681 55.300 -0.152 0.000 1.117 9 M CB -0.970 31.605 32.600 -0.043 0.000 1.320 9 M HN 0.056 nan 8.290 nan 0.000 0.408 10 R N 0.516 120.970 120.500 -0.077 0.000 2.119 10 R HA -0.145 4.195 4.340 -0.000 0.000 0.246 10 R C 2.411 178.665 176.300 -0.077 0.000 1.146 10 R CA 2.395 58.458 56.100 -0.062 0.000 0.962 10 R CB -1.083 29.188 30.300 -0.048 0.000 0.863 10 R HN 0.381 nan 8.270 nan 0.000 0.442 11 S N -0.848 114.793 115.700 -0.099 0.000 2.382 11 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 11 S C 1.714 176.247 174.600 -0.112 0.000 1.027 11 S CA 1.152 59.291 58.200 -0.102 0.000 0.991 11 S CB -0.322 62.808 63.200 -0.117 0.000 0.823 11 S HN 0.319 nan 8.310 nan 0.000 0.469 12 L N 1.422 122.559 121.223 -0.143 0.000 2.056 12 L HA 0.170 4.510 4.340 -0.000 0.000 0.207 12 L C 2.340 179.165 176.870 -0.074 0.000 1.078 12 L CA 1.803 56.569 54.840 -0.123 0.000 0.749 12 L CB -0.693 41.270 42.059 -0.160 0.000 0.901 12 L HN 0.410 nan 8.230 nan 0.000 0.433 13 M N -1.568 117.993 119.600 -0.065 0.000 2.394 13 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 13 M C 1.567 177.837 176.300 -0.050 0.000 1.073 13 M CA 0.982 56.254 55.300 -0.047 0.000 1.111 13 M CB -0.366 32.208 32.600 -0.042 0.000 1.401 13 M HN 0.117 nan 8.290 nan 0.000 0.448 14 D N 1.344 121.710 120.400 -0.056 0.000 2.117 14 D HA -0.045 4.595 4.640 -0.000 0.000 0.198 14 D C 0.336 176.607 176.300 -0.049 0.000 0.982 14 D CA 1.041 55.010 54.000 -0.051 0.000 0.828 14 D CB 0.180 40.949 40.800 -0.052 0.000 0.967 14 D HN 0.197 nan 8.370 nan 0.000 0.464 15 K N 0.414 120.780 120.400 -0.057 0.000 2.150 15 K HA 0.152 4.471 4.320 -0.000 0.000 0.261 15 K C 0.843 177.419 176.600 -0.040 0.000 1.127 15 K CA -0.316 55.937 56.287 -0.056 0.000 0.989 15 K CB 1.563 34.013 32.500 -0.082 0.000 1.475 15 K HN -0.087 nan 8.250 nan 0.000 0.391 16 V N 1.382 121.277 119.914 -0.031 0.000 2.427 16 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 16 V C 2.467 178.563 176.094 0.003 0.000 1.051 16 V CA 2.357 64.644 62.300 -0.022 0.000 1.048 16 V CB -0.754 31.048 31.823 -0.035 0.000 0.666 16 V HN 0.831 nan 8.190 nan 0.000 0.456 17 T N -1.044 113.513 114.554 0.005 0.000 2.848 17 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 17 T C 1.055 175.814 174.700 0.099 0.000 1.081 17 T CA 1.845 63.965 62.100 0.034 0.000 1.125 17 T CB -0.523 68.361 68.868 0.026 0.000 0.848 17 T HN 0.456 nan 8.240 nan 0.000 0.503 18 N N 0.834 119.583 118.700 0.082 0.000 2.671 18 N HA 0.493 5.233 4.740 -0.000 0.000 0.303 18 N C -1.334 174.295 175.510 0.197 0.000 1.351 18 N CA -0.190 52.970 53.050 0.184 0.000 0.991 18 N CB 1.017 39.400 38.487 -0.174 0.000 1.307 18 N HN 0.277 nan 8.380 nan 0.000 0.512 19 V N 0.291 120.291 119.914 0.143 0.000 2.962 19 V HA 0.563 4.683 4.120 -0.000 0.000 0.313 19 V C -0.636 175.497 176.094 0.065 0.000 1.099 19 V CA -0.874 61.481 62.300 0.091 0.000 0.971 19 V CB 2.720 34.560 31.823 0.029 0.000 1.028 19 V HN 0.105 nan 8.190 nan 0.000 0.430 20 R N 2.712 123.240 120.500 0.046 0.000 2.500 20 R HA 0.419 4.759 4.340 -0.000 0.000 0.299 20 R C -1.333 174.976 176.300 0.016 0.000 1.038 20 R CA -0.585 55.525 56.100 0.017 0.000 0.903 20 R CB 1.551 31.849 30.300 -0.003 0.000 1.177 20 R HN 0.625 nan 8.270 nan 0.000 0.455 21 N N 4.350 123.054 118.700 0.006 0.000 2.462 21 N HA 0.323 5.063 4.740 -0.000 0.000 0.242 21 N C -0.018 175.507 175.510 0.024 0.000 1.010 21 N CA -0.321 52.737 53.050 0.013 0.000 0.939 21 N CB 1.227 39.707 38.487 -0.013 0.000 1.127 21 N HN 0.433 nan 8.380 nan 0.000 0.509 22 M N -0.678 118.941 119.600 0.032 0.000 2.744 22 M HA 0.713 5.193 4.480 -0.000 0.000 0.283 22 M C -0.154 176.167 176.300 0.035 0.000 1.275 22 M CA -1.043 54.273 55.300 0.027 0.000 0.796 22 M CB 1.321 33.926 32.600 0.008 0.000 1.739 22 M HN 0.210 nan 8.290 nan 0.000 0.454 23 S N -0.905 114.808 115.700 0.022 0.000 2.638 23 S HA 0.904 5.374 4.470 -0.000 0.000 0.274 23 S C -1.453 173.145 174.600 -0.003 0.000 1.157 23 S CA -0.869 57.342 58.200 0.019 0.000 0.826 23 S CB 1.562 64.782 63.200 0.033 0.000 1.139 23 S HN 0.828 nan 8.310 nan 0.000 0.474 24 V N 1.826 121.734 119.914 -0.010 0.000 2.370 24 V HA 0.461 4.581 4.120 -0.000 0.000 0.283 24 V C -0.563 175.513 176.094 -0.029 0.000 1.023 24 V CA -0.574 61.712 62.300 -0.024 0.000 0.857 24 V CB 0.991 32.799 31.823 -0.025 0.000 0.985 24 V HN 0.807 nan 8.190 nan 0.000 0.443 25 I N 5.141 125.689 120.570 -0.037 0.000 2.307 25 I HA 0.710 4.879 4.170 -0.000 0.000 0.287 25 I C 0.274 176.371 176.117 -0.034 0.000 1.054 25 I CA 0.012 61.286 61.300 -0.043 0.000 1.218 25 I CB 1.000 38.968 38.000 -0.053 0.000 1.398 25 I HN 0.730 nan 8.210 nan 0.000 0.475 26 A N 5.385 128.186 122.820 -0.031 0.000 2.594 26 A HA 0.461 4.780 4.320 -0.000 0.000 0.295 26 A C -1.211 176.359 177.584 -0.023 0.000 1.071 26 A CA -0.600 51.440 52.037 0.006 0.000 0.685 26 A CB 1.462 20.478 19.000 0.028 0.000 1.285 26 A HN 0.640 nan 8.150 nan 0.000 0.405 27 H N 1.735 120.727 119.070 -0.130 0.000 2.683 27 H HA 0.245 4.800 4.556 -0.000 0.000 0.339 27 H C 1.740 176.957 175.328 -0.184 0.000 1.081 27 H CA 0.912 56.809 56.048 -0.252 0.000 1.432 27 H CB 1.620 31.019 29.762 -0.604 0.000 1.462 27 H HN 0.769 nan 8.280 nan 0.000 0.557 28 V N 1.932 121.885 119.914 0.065 0.000 2.370 28 V HA -0.217 3.903 4.120 -0.000 0.000 0.252 28 V C 1.135 177.309 176.094 0.134 0.000 1.068 28 V CA 2.110 64.454 62.300 0.074 0.000 1.061 28 V CB -0.170 31.661 31.823 0.013 0.000 0.656 28 V HN 0.631 nan 8.190 nan 0.000 0.455 29 D N -0.567 119.954 120.400 0.201 0.000 2.344 29 D HA 0.078 4.718 4.640 -0.000 0.000 0.242 29 D C 1.001 177.399 176.300 0.163 0.000 1.159 29 D CA 0.586 54.614 54.000 0.047 0.000 0.859 29 D CB -0.355 40.372 40.800 -0.122 0.000 0.925 29 D HN 0.757 nan 8.370 nan 0.000 0.510 30 H N -1.372 117.714 119.070 0.028 0.000 2.767 30 H HA 0.268 4.824 4.556 -0.000 0.000 0.260 30 H C 0.989 176.315 175.328 -0.004 0.000 1.172 30 H CA -0.155 55.893 56.048 0.000 0.000 1.048 30 H CB 1.260 31.028 29.762 0.010 0.000 1.697 30 H HN 0.141 nan 8.280 nan 0.000 0.606 31 G N 2.353 111.222 108.800 0.115 0.000 2.149 31 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.235 31 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.235 31 G C 1.038 175.957 174.900 0.031 0.000 1.018 31 G CA 0.598 45.730 45.100 0.053 0.000 0.728 31 G HN 0.453 nan 8.290 nan 0.000 0.508 32 K N 0.637 121.060 120.400 0.037 0.000 2.063 32 K HA -0.144 4.175 4.320 -0.000 0.000 0.208 32 K C 2.690 179.285 176.600 -0.008 0.000 1.048 32 K CA 2.306 58.597 56.287 0.007 0.000 0.928 32 K CB -0.240 32.255 32.500 -0.008 0.000 0.713 32 K HN 0.684 nan 8.250 nan 0.000 0.442 33 S N -0.697 114.999 115.700 -0.006 0.000 2.446 33 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 33 S C 1.860 176.458 174.600 -0.004 0.000 1.016 33 S CA 1.056 59.249 58.200 -0.011 0.000 0.943 33 S CB -0.189 63.003 63.200 -0.013 0.000 0.786 33 S HN 0.283 nan 8.310 nan 0.000 0.508 34 T N 3.409 117.965 114.554 0.003 0.000 2.777 34 T HA 0.127 4.477 4.350 -0.000 0.000 0.266 34 T C 1.713 176.412 174.700 -0.002 0.000 1.040 34 T CA 1.190 63.293 62.100 0.005 0.000 1.141 34 T CB -0.481 68.393 68.868 0.011 0.000 0.868 34 T HN 0.276 nan 8.240 nan 0.000 0.444 35 L N 1.279 122.495 121.223 -0.011 0.000 2.109 35 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 35 L C 3.097 179.958 176.870 -0.015 0.000 1.086 35 L CA 1.517 56.344 54.840 -0.021 0.000 0.760 35 L CB -1.177 40.860 42.059 -0.037 0.000 0.910 35 L HN 0.454 nan 8.230 nan 0.000 0.437 36 T N -3.948 110.598 114.554 -0.013 0.000 2.777 36 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 36 T C 1.569 176.268 174.700 -0.001 0.000 1.040 36 T CA 1.057 63.152 62.100 -0.009 0.000 1.141 36 T CB -0.353 68.507 68.868 -0.013 0.000 0.868 36 T HN 0.213 nan 8.240 nan 0.000 0.444 37 D N 1.118 121.518 120.400 -0.001 0.000 2.133 37 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 37 D C 2.390 178.697 176.300 0.012 0.000 0.997 37 D CA 1.501 55.504 54.000 0.005 0.000 0.840 37 D CB -0.332 40.471 40.800 0.006 0.000 0.947 37 D HN 0.428 nan 8.370 nan 0.000 0.452 38 S N 0.018 115.725 115.700 0.011 0.000 2.359 38 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 38 S C 2.258 176.870 174.600 0.019 0.000 1.039 38 S CA 0.906 59.116 58.200 0.017 0.000 1.042 38 S CB -0.321 62.886 63.200 0.012 0.000 0.915 38 S HN 0.180 nan 8.310 nan 0.000 0.439 39 L N 0.787 122.018 121.223 0.013 0.000 1.989 39 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 39 L C 2.534 179.422 176.870 0.029 0.000 1.071 39 L CA 1.363 56.214 54.840 0.017 0.000 0.749 39 L CB -0.783 41.282 42.059 0.009 0.000 0.890 39 L HN 0.213 nan 8.230 nan 0.000 0.431 40 V N -0.604 119.325 119.914 0.026 0.000 2.252 40 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 40 V C 2.619 178.736 176.094 0.037 0.000 1.056 40 V CA 1.676 63.996 62.300 0.034 0.000 1.022 40 V CB -0.639 31.198 31.823 0.024 0.000 0.641 40 V HN 0.506 nan 8.190 nan 0.000 0.445 41 Q N -0.364 119.454 119.800 0.031 0.000 2.197 41 Q HA -0.253 4.087 4.340 -0.000 0.000 0.207 41 Q C 2.315 178.336 176.000 0.035 0.000 0.984 41 Q CA 2.071 57.893 55.803 0.031 0.000 0.869 41 Q CB -0.420 28.335 28.738 0.029 0.000 0.906 41 Q HN 0.641 nan 8.270 nan 0.000 0.426 42 R N -0.113 120.410 120.500 0.039 0.000 2.075 42 R HA 0.108 4.447 4.340 -0.000 0.000 0.220 42 R C 1.336 177.670 176.300 0.058 0.000 1.118 42 R CA 1.399 57.525 56.100 0.044 0.000 0.986 42 R CB -0.041 30.283 30.300 0.040 0.000 0.884 42 R HN 0.116 nan 8.270 nan 0.000 0.439 43 A N -0.415 122.445 122.820 0.067 0.000 2.508 43 A HA 0.423 4.743 4.320 -0.000 0.000 0.250 43 A C 0.620 178.280 177.584 0.126 0.000 1.208 43 A CA 0.006 52.106 52.037 0.105 0.000 0.960 43 A CB 0.186 19.246 19.000 0.099 0.000 1.099 43 A HN 0.371 nan 8.150 nan 0.000 0.542 44 G N 0.372 109.225 108.800 0.089 0.000 2.414 44 G HA2 0.392 4.351 3.960 -0.000 0.000 0.236 44 G HA3 0.392 4.351 3.960 -0.000 0.000 0.236 44 G C -0.105 174.852 174.900 0.095 0.000 1.293 44 G CA 0.143 45.298 45.100 0.091 0.000 0.869 44 G HN 0.339 nan 8.290 nan 0.000 0.556 45 I N 1.315 121.959 120.570 0.124 0.000 2.437 45 I HA 0.434 4.604 4.170 -0.000 0.000 0.298 45 I C 0.140 176.319 176.117 0.104 0.000 0.984 45 I CA -0.459 60.913 61.300 0.120 0.000 1.214 45 I CB 1.674 39.816 38.000 0.238 0.000 1.365 45 I HN 0.215 nan 8.210 nan 0.000 0.469 46 I N 3.609 124.213 120.570 0.057 0.000 2.730 46 I HA 0.259 4.428 4.170 -0.000 0.000 0.298 46 I C -0.104 176.044 176.117 0.051 0.000 1.089 46 I CA -0.465 60.879 61.300 0.073 0.000 1.041 46 I CB 2.567 40.588 38.000 0.036 0.000 1.235 46 I HN 0.611 nan 8.210 nan 0.000 0.423 47 S N 4.048 119.788 115.700 0.067 0.000 2.585 47 S HA 0.772 5.242 4.470 -0.000 0.000 0.277 47 S C -0.045 174.560 174.600 0.009 0.000 1.241 47 S CA -0.732 57.503 58.200 0.058 0.000 1.041 47 S CB 1.826 65.066 63.200 0.068 0.000 0.987 47 S HN 0.687 nan 8.310 nan 0.000 0.512 48 A N 1.893 124.722 122.820 0.014 0.000 2.249 48 A HA 0.819 5.139 4.320 -0.000 0.000 0.281 48 A C 0.801 178.379 177.584 -0.011 0.000 1.127 48 A CA -0.319 51.713 52.037 -0.009 0.000 0.833 48 A CB -0.419 18.582 19.000 0.001 0.000 1.140 48 A HN 1.454 nan 8.150 nan 0.000 0.502 49 A N -0.698 122.111 122.820 -0.018 0.000 2.296 49 A HA 0.666 4.986 4.320 -0.000 0.000 0.276 49 A C 0.299 177.877 177.584 -0.010 0.000 1.356 49 A CA 0.293 52.318 52.037 -0.020 0.000 0.825 49 A CB -0.126 18.860 19.000 -0.024 0.000 1.308 49 A HN 1.058 nan 8.150 nan 0.000 0.515 68 I N 2.996 123.619 120.570 0.089 0.000 2.441 68 I HA 0.398 4.567 4.170 -0.000 0.000 0.287 68 I C 0.828 177.024 176.117 0.132 0.000 1.049 68 I CA -0.214 61.142 61.300 0.094 0.000 1.381 68 I CB 1.484 39.563 38.000 0.133 0.000 1.409 68 I HN 0.174 nan 8.210 nan 0.000 0.523 69 T N 5.190 119.791 114.554 0.079 0.000 2.918 69 T HA 0.841 5.191 4.350 -0.000 0.000 0.286 69 T C -0.371 174.308 174.700 -0.035 0.000 1.026 69 T CA -0.742 61.410 62.100 0.086 0.000 1.031 69 T CB 2.066 70.987 68.868 0.088 0.000 1.046 69 T HN 0.560 nan 8.240 nan 0.000 0.479 70 I N -2.010 118.519 120.570 -0.069 0.000 3.191 70 I HA 0.615 4.784 4.170 -0.000 0.000 0.313 70 I C -0.669 175.378 176.117 -0.116 0.000 1.193 70 I CA -1.671 59.562 61.300 -0.112 0.000 0.968 70 I CB 2.343 40.290 38.000 -0.089 0.000 1.262 70 I HN 0.658 nan 8.210 nan 0.000 0.456 71 K N 2.579 122.918 120.400 -0.101 0.000 2.363 71 K HA 0.140 4.460 4.320 -0.000 0.000 0.289 71 K C 0.169 176.694 176.600 -0.125 0.000 1.063 71 K CA 0.043 56.273 56.287 -0.095 0.000 0.967 71 K CB 0.602 33.066 32.500 -0.059 0.000 0.987 71 K HN 0.726 nan 8.250 nan 0.000 0.473 72 S N 3.385 118.999 115.700 -0.144 0.000 2.626 72 S HA -0.051 4.419 4.470 -0.000 0.000 0.303 72 S C 0.478 174.970 174.600 -0.180 0.000 1.256 72 S CA 0.330 58.432 58.200 -0.163 0.000 1.069 72 S CB 0.356 63.463 63.200 -0.154 0.000 0.807 72 S HN 0.757 nan 8.310 nan 0.000 0.500 73 T N 3.927 118.331 114.554 -0.249 0.000 2.980 73 T HA 0.541 4.891 4.350 -0.000 0.000 0.252 73 T C 0.157 174.626 174.700 -0.385 0.000 0.962 73 T CA 0.466 62.322 62.100 -0.407 0.000 0.932 73 T CB 0.516 68.943 68.868 -0.736 0.000 1.188 73 T HN 0.862 nan 8.240 nan 0.000 0.500 74 A N 0.697 123.377 122.820 -0.234 0.000 2.609 74 A HA 0.848 5.168 4.320 -0.000 0.000 0.291 74 A C -2.013 175.568 177.584 -0.005 0.000 1.096 74 A CA -0.683 51.321 52.037 -0.055 0.000 0.684 74 A CB 1.171 20.239 19.000 0.113 0.000 1.282 74 A HN 0.258 nan 8.150 nan 0.000 0.412 75 I N 0.620 121.213 120.570 0.037 0.000 2.656 75 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 75 I C -0.315 175.849 176.117 0.078 0.000 1.144 75 I CA -0.461 60.866 61.300 0.045 0.000 1.038 75 I CB 2.567 40.581 38.000 0.023 0.000 1.244 75 I HN 0.531 nan 8.210 nan 0.000 0.420 76 S N 5.635 121.394 115.700 0.099 0.000 2.525 76 S HA 0.679 5.149 4.470 -0.000 0.000 0.278 76 S C -0.601 174.084 174.600 0.141 0.000 1.234 76 S CA -0.501 57.775 58.200 0.126 0.000 1.058 76 S CB 1.207 64.495 63.200 0.147 0.000 0.983 76 S HN 0.217 nan 8.310 nan 0.000 0.495 77 L N 2.840 124.155 121.223 0.153 0.000 2.362 77 L HA 0.526 4.866 4.340 -0.000 0.000 0.271 77 L C -0.963 176.057 176.870 0.250 0.000 1.002 77 L CA -0.617 54.323 54.840 0.167 0.000 0.818 77 L CB 1.342 43.463 42.059 0.103 0.000 1.298 77 L HN 0.709 nan 8.230 nan 0.000 0.420 78 Y N 1.853 122.246 120.300 0.155 0.000 2.364 78 Y HA 0.739 5.288 4.550 -0.000 0.000 0.340 78 Y C -0.383 175.617 175.900 0.167 0.000 0.975 78 Y CA -0.229 57.994 58.100 0.206 0.000 1.089 78 Y CB 1.905 40.570 38.460 0.342 0.000 1.192 78 Y HN 0.582 nan 8.280 nan 0.000 0.454 79 S N 4.292 119.672 115.700 -0.533 0.000 2.564 79 S HA 0.612 5.082 4.470 -0.000 0.000 0.274 79 S C -1.520 172.831 174.600 -0.415 0.000 1.124 79 S CA -0.657 57.332 58.200 -0.351 0.000 0.869 79 S CB 1.375 64.509 63.200 -0.109 0.000 1.105 79 S HN 0.816 nan 8.310 nan 0.000 0.472 80 E N 1.898 121.994 120.200 -0.174 0.000 2.369 80 E HA 0.596 4.946 4.350 -0.000 0.000 0.270 80 E C -1.020 175.624 176.600 0.073 0.000 0.909 80 E CA -0.913 55.474 56.400 -0.021 0.000 0.775 80 E CB 1.754 31.453 29.700 -0.002 0.000 1.270 80 E HN 0.464 nan 8.360 nan 0.000 0.445 81 M N 0.511 120.192 119.600 0.135 0.000 2.704 81 M HA 0.318 4.798 4.480 -0.000 0.000 0.284 81 M C -0.220 176.129 176.300 0.081 0.000 1.275 81 M CA -0.899 54.461 55.300 0.100 0.000 0.811 81 M CB 1.615 34.292 32.600 0.129 0.000 1.741 81 M HN 0.578 nan 8.290 nan 0.000 0.458 82 S N -0.597 115.135 115.700 0.053 0.000 2.610 82 S HA 0.244 4.713 4.470 -0.000 0.000 0.273 82 S C 0.152 174.779 174.600 0.045 0.000 1.274 82 S CA -0.197 58.028 58.200 0.041 0.000 1.023 82 S CB 0.747 63.964 63.200 0.028 0.000 0.962 82 S HN 0.612 nan 8.310 nan 0.000 0.523 83 D N 0.997 121.418 120.400 0.035 0.000 2.221 83 D HA -0.085 4.554 4.640 -0.000 0.000 0.204 83 D C 1.622 177.939 176.300 0.028 0.000 0.982 83 D CA 1.203 55.222 54.000 0.031 0.000 0.857 83 D CB 0.056 40.869 40.800 0.021 0.000 0.934 83 D HN 0.578 nan 8.370 nan 0.000 0.475 84 E N 0.546 120.760 120.200 0.024 0.000 2.152 84 E HA -0.100 4.249 4.350 -0.000 0.000 0.192 84 E C 1.391 178.000 176.600 0.015 0.000 0.983 84 E CA 0.699 57.110 56.400 0.018 0.000 0.818 84 E CB -0.051 29.659 29.700 0.017 0.000 0.758 84 E HN 0.450 nan 8.360 nan 0.000 0.467 85 D N 0.482 120.892 120.400 0.017 0.000 2.103 85 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 85 D C 2.093 178.394 176.300 0.002 0.000 0.978 85 D CA 0.629 54.631 54.000 0.002 0.000 0.829 85 D CB -0.189 40.611 40.800 0.000 0.000 0.981 85 D HN -0.011 nan 8.370 nan 0.000 0.464 86 V N 1.623 121.565 119.914 0.047 0.000 2.660 86 V HA -0.230 3.890 4.120 -0.000 0.000 0.257 86 V C 2.254 178.372 176.094 0.041 0.000 1.088 86 V CA 1.434 63.784 62.300 0.083 0.000 1.106 86 V CB -0.482 31.424 31.823 0.138 0.000 0.686 86 V HN 0.197 nan 8.190 nan 0.000 0.481 87 K N -0.233 120.180 120.400 0.021 0.000 2.155 87 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 87 K C 1.961 178.558 176.600 -0.004 0.000 1.052 87 K CA 0.979 57.272 56.287 0.011 0.000 0.948 87 K CB -0.096 32.411 32.500 0.011 0.000 0.728 87 K HN 0.543 nan 8.250 nan 0.000 0.448 88 E N 0.809 120.997 120.200 -0.020 0.000 2.409 88 E HA -0.058 4.291 4.350 -0.000 0.000 0.198 88 E C 0.117 176.673 176.600 -0.074 0.000 1.024 88 E CA 0.243 56.618 56.400 -0.042 0.000 0.861 88 E CB -0.008 29.658 29.700 -0.057 0.000 0.788 88 E HN 0.269 nan 8.360 nan 0.000 0.521 89 I N 2.209 122.738 120.570 -0.069 0.000 2.494 89 I HA -0.030 4.140 4.170 -0.000 0.000 0.289 89 I C 0.250 176.345 176.117 -0.036 0.000 1.106 89 I CA 0.075 61.326 61.300 -0.082 0.000 1.369 89 I CB 0.488 38.457 38.000 -0.052 0.000 1.410 89 I HN -0.294 nan 8.210 nan 0.000 0.523 90 K N 6.051 126.431 120.400 -0.034 0.000 3.216 90 K HA 0.142 4.462 4.320 -0.000 0.000 0.277 90 K C -0.313 176.293 176.600 0.010 0.000 1.246 90 K CA 0.045 56.331 56.287 -0.001 0.000 1.227 90 K CB -0.294 32.215 32.500 0.015 0.000 1.487 90 K HN 0.519 nan 8.250 nan 0.000 0.341 91 Q N -0.145 119.661 119.800 0.009 0.000 2.479 91 Q HA 0.146 4.485 4.340 -0.000 0.000 0.276 91 Q C -1.382 174.634 176.000 0.026 0.000 0.989 91 Q CA -0.886 54.929 55.803 0.020 0.000 0.864 91 Q CB 1.080 29.828 28.738 0.018 0.000 1.444 91 Q HN 0.146 nan 8.270 nan 0.000 0.388 92 K N 1.944 122.360 120.400 0.026 0.000 2.472 92 K HA 0.141 4.460 4.320 -0.000 0.000 0.280 92 K C -0.947 175.678 176.600 0.041 0.000 1.028 92 K CA 1.002 57.304 56.287 0.026 0.000 1.045 92 K CB 0.297 32.807 32.500 0.016 0.000 0.902 92 K HN 0.654 nan 8.250 nan 0.000 0.478 93 T N 0.529 115.112 114.554 0.048 0.000 2.909 93 T HA 0.237 4.587 4.350 -0.000 0.000 0.299 93 T C -1.187 173.526 174.700 0.022 0.000 1.073 93 T CA -1.104 61.040 62.100 0.075 0.000 0.999 93 T CB 1.686 70.655 68.868 0.168 0.000 1.098 93 T HN 0.491 nan 8.240 nan 0.000 0.477 94 D N 0.728 121.115 120.400 -0.023 0.000 2.446 94 D HA 0.555 5.195 4.640 -0.000 0.000 0.251 94 D C 0.507 176.724 176.300 -0.138 0.000 1.137 94 D CA 0.757 54.718 54.000 -0.064 0.000 0.890 94 D CB 0.426 41.191 40.800 -0.059 0.000 1.071 94 D HN 1.314 nan 8.370 nan 0.000 0.528 95 G N 3.238 111.958 108.800 -0.133 0.000 2.525 95 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.685 95 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.685 95 G C 0.157 174.885 174.900 -0.287 0.000 1.290 95 G CA -0.681 44.306 45.100 -0.188 0.000 0.915 95 G HN 0.397 nan 8.290 nan 0.000 0.548 96 N N -0.433 118.104 118.700 -0.272 0.000 2.184 96 N HA 0.217 4.957 4.740 -0.000 0.000 0.206 96 N C 0.433 175.685 175.510 -0.429 0.000 1.151 96 N CA 0.438 53.344 53.050 -0.240 0.000 0.878 96 N CB 0.998 39.467 38.487 -0.030 0.000 1.014 96 N HN 0.458 nan 8.380 nan 0.000 0.512 97 S N 0.562 115.936 115.700 -0.543 0.000 2.554 97 S HA 0.560 5.029 4.470 -0.000 0.000 0.278 97 S C -0.698 173.423 174.600 -0.797 0.000 1.242 97 S CA -0.196 57.760 58.200 -0.407 0.000 1.051 97 S CB 0.631 63.817 63.200 -0.025 0.000 0.986 97 S HN 0.033 nan 8.310 nan 0.000 0.502 98 F N 1.742 121.585 119.950 -0.178 0.000 2.569 98 F HA 0.491 5.017 4.527 -0.000 0.000 0.312 98 F C -0.608 175.162 175.800 -0.049 0.000 1.109 98 F CA -0.917 57.019 58.000 -0.106 0.000 0.919 98 F CB 1.365 40.287 39.000 -0.129 0.000 1.211 98 F HN 0.287 nan 8.300 nan 0.000 0.446 99 L N 5.002 126.340 121.223 0.192 0.000 2.280 99 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 99 L C -0.968 175.979 176.870 0.127 0.000 1.023 99 L CA -0.348 54.589 54.840 0.163 0.000 0.819 99 L CB 0.505 42.628 42.059 0.107 0.000 1.212 99 L HN 0.470 nan 8.230 nan 0.000 0.420 100 I N 4.719 125.359 120.570 0.118 0.000 2.354 100 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 100 I C -0.316 175.849 176.117 0.080 0.000 0.989 100 I CA -0.421 60.925 61.300 0.077 0.000 1.188 100 I CB 1.292 39.325 38.000 0.054 0.000 1.342 100 I HN 0.623 nan 8.210 nan 0.000 0.457 101 N N 6.205 124.944 118.700 0.066 0.000 2.469 101 N HA 0.363 5.103 4.740 -0.000 0.000 0.253 101 N C -0.989 174.564 175.510 0.072 0.000 0.970 101 N CA -0.591 52.506 53.050 0.079 0.000 0.940 101 N CB 1.538 40.072 38.487 0.079 0.000 1.128 101 N HN 0.367 nan 8.380 nan 0.000 0.503 102 L N 4.941 126.205 121.223 0.067 0.000 2.288 102 L HA 0.458 4.798 4.340 -0.000 0.000 0.283 102 L C -0.806 176.098 176.870 0.056 0.000 1.072 102 L CA -0.284 54.586 54.840 0.049 0.000 0.862 102 L CB -0.033 42.045 42.059 0.032 0.000 1.245 102 L HN 0.490 nan 8.230 nan 0.000 0.432 103 I N 3.437 124.054 120.570 0.078 0.000 2.474 103 I HA 0.121 4.290 4.170 -0.000 0.000 0.287 103 I C 0.402 176.541 176.117 0.037 0.000 1.048 103 I CA -0.301 61.054 61.300 0.093 0.000 1.383 103 I CB 0.895 39.001 38.000 0.177 0.000 1.412 103 I HN 0.562 nan 8.210 nan 0.000 0.531 104 D N 4.059 124.453 120.400 -0.010 0.000 2.344 104 D HA 0.367 5.006 4.640 -0.000 0.000 0.244 104 D C -0.808 175.491 176.300 -0.002 0.000 1.134 104 D CA 0.118 54.102 54.000 -0.028 0.000 0.930 104 D CB 0.886 41.643 40.800 -0.071 0.000 1.175 104 D HN 0.540 nan 8.370 nan 0.000 0.437 105 S N 1.023 116.717 115.700 -0.009 0.000 2.564 105 S HA 0.662 5.132 4.470 -0.000 0.000 0.274 105 S C -2.765 171.822 174.600 -0.022 0.000 1.124 105 S CA -1.432 56.773 58.200 0.009 0.000 0.869 105 S CB 1.437 64.643 63.200 0.010 0.000 1.105 105 S HN 0.249 nan 8.310 nan 0.000 0.472 106 P HA 0.240 nan 4.420 nan 0.000 0.269 106 P C 0.897 178.070 177.300 -0.212 0.000 1.211 106 P CA -0.084 62.977 63.100 -0.066 0.000 0.781 106 P CB 0.205 31.936 31.700 0.051 0.000 0.877 107 G N -0.127 108.409 108.800 -0.439 0.000 2.656 107 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.211 107 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.211 107 G C 0.047 174.631 174.900 -0.528 0.000 1.137 107 G CA 0.277 45.085 45.100 -0.485 0.000 0.802 107 G HN 0.541 nan 8.290 nan 0.000 0.527 108 H N 0.215 119.011 119.070 -0.456 0.000 2.489 108 H HA 0.365 4.921 4.556 -0.000 0.000 0.322 108 H C 0.688 175.742 175.328 -0.456 0.000 1.091 108 H CA -0.791 54.906 56.048 -0.584 0.000 1.291 108 H CB 2.241 31.401 29.762 -1.003 0.000 1.436 108 H HN -0.131 nan 8.280 nan 0.000 0.480 109 V N 1.851 121.687 119.914 -0.130 0.000 2.951 109 V HA -0.139 3.981 4.120 -0.000 0.000 0.255 109 V C 1.451 177.584 176.094 0.065 0.000 1.088 109 V CA 0.976 63.289 62.300 0.022 0.000 1.109 109 V CB -0.107 31.752 31.823 0.059 0.000 0.724 109 V HN 0.695 nan 8.190 nan 0.000 0.471 110 D N 0.651 121.071 120.400 0.034 0.000 2.221 110 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 110 D C 1.758 178.213 176.300 0.259 0.000 0.982 110 D CA 1.313 55.382 54.000 0.115 0.000 0.857 110 D CB -0.203 40.696 40.800 0.166 0.000 0.934 110 D HN 0.512 nan 8.370 nan 0.000 0.475 111 F N 1.580 121.527 119.950 -0.006 0.000 2.773 111 F HA -0.144 4.382 4.527 -0.000 0.000 0.299 111 F C 2.236 178.005 175.800 -0.051 0.000 1.204 111 F CA -0.102 57.898 58.000 0.001 0.000 1.454 111 F CB -0.344 38.693 39.000 0.062 0.000 1.117 111 F HN -0.058 nan 8.300 nan 0.000 0.590 112 S N 0.318 116.008 115.700 -0.016 0.000 2.736 112 S HA -0.447 4.023 4.470 -0.000 0.000 0.347 112 S C 2.037 176.579 174.600 -0.098 0.000 1.380 112 S CA 2.117 60.065 58.200 -0.419 0.000 1.092 112 S CB -1.482 61.021 63.200 -1.162 0.000 1.167 112 S HN 0.613 nan 8.310 nan 0.000 0.444 113 S N 3.426 119.083 115.700 -0.071 0.000 2.338 113 S HA -0.198 4.272 4.470 -0.000 0.000 0.218 113 S C 1.965 176.658 174.600 0.154 0.000 1.032 113 S CA 1.196 59.387 58.200 -0.015 0.000 0.999 113 S CB -0.997 62.114 63.200 -0.149 0.000 0.905 113 S HN 0.919 nan 8.310 nan 0.000 0.439 114 E N 1.253 121.586 120.200 0.221 0.000 2.401 114 E HA -0.061 4.288 4.350 -0.000 0.000 0.199 114 E C 1.729 178.465 176.600 0.227 0.000 1.023 114 E CA 1.010 57.560 56.400 0.250 0.000 0.859 114 E CB -0.532 29.298 29.700 0.217 0.000 0.780 114 E HN 0.491 nan 8.360 nan 0.000 0.523 115 V N 1.420 121.481 119.914 0.245 0.000 2.379 115 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 115 V C 2.279 178.498 176.094 0.208 0.000 1.044 115 V CA 2.084 64.523 62.300 0.233 0.000 1.036 115 V CB -0.617 31.409 31.823 0.339 0.000 0.664 115 V HN 0.372 nan 8.190 nan 0.000 0.453 116 T N 0.619 115.317 114.554 0.240 0.000 2.867 116 T HA -0.100 4.249 4.350 -0.000 0.000 0.268 116 T C 2.062 176.879 174.700 0.195 0.000 1.057 116 T CA 1.447 63.664 62.100 0.195 0.000 1.136 116 T CB -0.361 68.624 68.868 0.196 0.000 0.874 116 T HN 0.545 nan 8.240 nan 0.000 0.466 117 A N 1.344 124.304 122.820 0.233 0.000 1.933 117 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 117 A C 2.594 180.344 177.584 0.277 0.000 1.175 117 A CA 1.712 53.922 52.037 0.287 0.000 0.628 117 A CB -0.930 18.246 19.000 0.294 0.000 0.814 117 A HN 0.506 nan 8.150 nan 0.000 0.444 118 A N -0.212 122.740 122.820 0.221 0.000 1.872 118 A HA 0.064 4.383 4.320 -0.000 0.000 0.214 118 A C 2.152 179.839 177.584 0.172 0.000 1.187 118 A CA 1.285 53.442 52.037 0.200 0.000 0.614 118 A CB -0.583 18.503 19.000 0.142 0.000 0.826 118 A HN 0.445 nan 8.150 nan 0.000 0.442 119 L N -1.016 120.289 121.223 0.136 0.000 1.989 119 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 119 L C 2.727 179.664 176.870 0.112 0.000 1.071 119 L CA 1.869 56.768 54.840 0.098 0.000 0.749 119 L CB -0.510 41.587 42.059 0.063 0.000 0.890 119 L HN 0.411 nan 8.230 nan 0.000 0.431 120 R N 0.227 120.805 120.500 0.130 0.000 2.211 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.240 120 R C 1.756 178.153 176.300 0.162 0.000 1.144 120 R CA 1.628 57.790 56.100 0.102 0.000 0.992 120 R CB -0.078 30.270 30.300 0.080 0.000 0.869 120 R HN 0.471 nan 8.270 nan 0.000 0.462 121 V N -2.913 117.128 119.914 0.211 0.000 3.621 121 V HA 0.182 4.302 4.120 -0.000 0.000 0.285 121 V C 0.673 176.831 176.094 0.107 0.000 1.346 121 V CA 0.251 62.670 62.300 0.199 0.000 1.104 121 V CB -0.026 31.905 31.823 0.180 0.000 0.913 121 V HN 0.262 nan 8.190 nan 0.000 0.432 122 T N -2.661 111.959 114.554 0.110 0.000 2.944 122 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 122 T C 0.136 174.875 174.700 0.065 0.000 1.010 122 T CA -0.108 62.035 62.100 0.072 0.000 1.025 122 T CB 2.215 71.125 68.868 0.069 0.000 1.079 122 T HN 0.219 nan 8.240 nan 0.000 0.516 123 D N 0.459 120.886 120.400 0.044 0.000 2.482 123 D HA 0.233 4.872 4.640 -0.000 0.000 0.251 123 D C 1.014 177.347 176.300 0.056 0.000 1.073 123 D CA 0.171 54.201 54.000 0.050 0.000 0.892 123 D CB 0.466 41.278 40.800 0.020 0.000 1.202 123 D HN 0.776 nan 8.370 nan 0.000 0.496 124 G N -0.029 108.792 108.800 0.034 0.000 2.685 124 G HA2 0.683 4.643 3.960 -0.000 0.000 0.298 124 G HA3 0.683 4.643 3.960 -0.000 0.000 0.298 124 G C -1.407 173.497 174.900 0.006 0.000 1.277 124 G CA -0.445 44.668 45.100 0.021 0.000 0.986 124 G HN 0.189 nan 8.290 nan 0.000 0.487 125 A N -0.560 122.252 122.820 -0.013 0.000 2.547 125 A HA 0.621 4.941 4.320 -0.000 0.000 0.297 125 A C -1.797 175.759 177.584 -0.048 0.000 1.056 125 A CA -0.549 51.473 52.037 -0.025 0.000 0.688 125 A CB 1.939 20.922 19.000 -0.028 0.000 1.282 125 A HN 1.288 nan 8.150 nan 0.000 0.400 126 L N 2.822 124.015 121.223 -0.050 0.000 2.264 126 L HA 0.614 4.954 4.340 -0.000 0.000 0.287 126 L C -0.854 175.973 176.870 -0.073 0.000 1.039 126 L CA -0.261 54.536 54.840 -0.071 0.000 0.829 126 L CB 1.077 43.096 42.059 -0.066 0.000 1.211 126 L HN 0.434 nan 8.230 nan 0.000 0.427 127 V N 6.068 125.927 119.914 -0.091 0.000 2.364 127 V HA 0.408 4.528 4.120 -0.000 0.000 0.272 127 V C 0.262 176.302 176.094 -0.091 0.000 1.036 127 V CA -0.730 61.521 62.300 -0.082 0.000 0.880 127 V CB 1.211 32.979 31.823 -0.091 0.000 0.991 127 V HN 0.486 nan 8.190 nan 0.000 0.460 128 V N 5.510 125.391 119.914 -0.055 0.000 2.644 128 V HA 0.571 4.691 4.120 -0.000 0.000 0.295 128 V C 0.044 176.132 176.094 -0.011 0.000 1.053 128 V CA -0.394 61.876 62.300 -0.051 0.000 0.987 128 V CB 1.795 33.612 31.823 -0.010 0.000 1.006 128 V HN 0.619 nan 8.190 nan 0.000 0.472 129 V N 2.239 122.118 119.914 -0.059 0.000 2.808 129 V HA 0.327 4.447 4.120 -0.000 0.000 0.308 129 V C -0.780 175.227 176.094 -0.145 0.000 1.099 129 V CA -0.761 61.511 62.300 -0.048 0.000 0.920 129 V CB 2.229 34.010 31.823 -0.069 0.000 1.014 129 V HN 0.993 nan 8.190 nan 0.000 0.425 130 D N 2.408 122.638 120.400 -0.284 0.000 2.350 130 D HA 0.230 4.870 4.640 -0.000 0.000 0.249 130 D C 1.272 177.496 176.300 -0.126 0.000 1.119 130 D CA 0.398 54.161 54.000 -0.396 0.000 0.886 130 D CB 1.837 42.179 40.800 -0.765 0.000 1.195 130 D HN 0.600 nan 8.370 nan 0.000 0.437 131 T N 3.473 118.006 114.554 -0.035 0.000 2.684 131 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 131 T C 1.871 176.614 174.700 0.072 0.000 1.036 131 T CA 1.054 63.227 62.100 0.122 0.000 1.148 131 T CB -0.162 68.825 68.868 0.199 0.000 0.863 131 T HN 0.443 nan 8.240 nan 0.000 0.436 132 I N 0.749 121.326 120.570 0.011 0.000 2.201 132 I HA -0.067 4.103 4.170 -0.000 0.000 0.233 132 I C 2.320 178.440 176.117 0.006 0.000 1.067 132 I CA 1.204 62.510 61.300 0.010 0.000 1.354 132 I CB -0.344 37.656 38.000 0.001 0.000 1.108 132 I HN 0.206 nan 8.210 nan 0.000 0.411 133 E N 1.217 121.407 120.200 -0.016 0.000 2.510 133 E HA 0.012 4.362 4.350 -0.000 0.000 0.202 133 E C 1.257 177.871 176.600 0.024 0.000 1.072 133 E CA 0.439 56.845 56.400 0.011 0.000 0.883 133 E CB -0.327 29.396 29.700 0.038 0.000 0.818 133 E HN 0.614 nan 8.360 nan 0.000 0.548 134 G N 0.907 109.713 108.800 0.011 0.000 2.634 134 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.309 134 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.309 134 G C 0.130 175.051 174.900 0.036 0.000 1.265 134 G CA 0.090 45.206 45.100 0.026 0.000 0.998 134 G HN 0.191 nan 8.290 nan 0.000 0.551 135 V N 1.723 121.663 119.914 0.043 0.000 2.353 135 V HA 0.407 4.527 4.120 -0.000 0.000 0.264 135 V C 1.396 177.535 176.094 0.074 0.000 1.049 135 V CA -0.217 62.116 62.300 0.054 0.000 0.896 135 V CB -0.123 31.714 31.823 0.025 0.000 1.025 135 V HN 1.233 nan 8.190 nan 0.000 0.475 136 C N 4.749 124.121 119.300 0.121 0.000 2.595 136 C HA 0.494 4.953 4.460 -0.000 0.000 0.384 136 C C 1.893 176.923 174.990 0.066 0.000 1.289 136 C CA -0.425 58.655 59.018 0.103 0.000 2.372 136 C CB 0.510 28.329 27.740 0.132 0.000 2.593 136 C HN 0.637 nan 8.230 nan 0.000 0.639 137 V N 2.242 122.187 119.914 0.052 0.000 2.231 137 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 137 V C 2.866 178.968 176.094 0.013 0.000 1.058 137 V CA 2.820 65.137 62.300 0.029 0.000 1.022 137 V CB -1.397 30.442 31.823 0.027 0.000 0.640 137 V HN 1.090 nan 8.190 nan 0.000 0.445 138 Q N -0.124 119.691 119.800 0.025 0.000 2.112 138 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 138 Q C 2.062 178.038 176.000 -0.040 0.000 0.987 138 Q CA 2.712 58.509 55.803 -0.011 0.000 0.858 138 Q CB -0.423 28.288 28.738 -0.044 0.000 0.905 138 Q HN 0.650 nan 8.270 nan 0.000 0.420 139 T N 0.541 115.087 114.554 -0.013 0.000 2.915 139 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 139 T C 1.449 176.119 174.700 -0.050 0.000 1.071 139 T CA 1.270 63.354 62.100 -0.027 0.000 1.132 139 T CB -0.107 68.776 68.868 0.026 0.000 0.878 139 T HN 0.484 nan 8.240 nan 0.000 0.479 140 E N 0.696 120.873 120.200 -0.038 0.000 2.046 140 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 140 E C 2.069 178.598 176.600 -0.118 0.000 0.982 140 E CA 1.245 57.612 56.400 -0.055 0.000 0.800 140 E CB -0.046 29.640 29.700 -0.024 0.000 0.756 140 E HN 0.335 nan 8.360 nan 0.000 0.449 141 T N 0.675 115.154 114.554 -0.125 0.000 2.684 141 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 141 T C 1.941 176.440 174.700 -0.334 0.000 1.036 141 T CA 1.545 63.524 62.100 -0.200 0.000 1.148 141 T CB -0.270 68.528 68.868 -0.117 0.000 0.863 141 T HN 0.032 nan 8.240 nan 0.000 0.436 142 V N 1.527 121.270 119.914 -0.285 0.000 2.295 142 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 142 V C 2.424 178.361 176.094 -0.262 0.000 1.049 142 V CA 1.313 63.413 62.300 -0.333 0.000 1.024 142 V CB -0.772 30.937 31.823 -0.191 0.000 0.648 142 V HN 0.315 nan 8.190 nan 0.000 0.447 143 L N 0.164 121.278 121.223 -0.181 0.000 2.043 143 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 143 L C 2.549 179.317 176.870 -0.170 0.000 1.075 143 L CA 1.985 56.740 54.840 -0.141 0.000 0.752 143 L CB -0.700 41.299 42.059 -0.099 0.000 0.891 143 L HN 0.174 nan 8.230 nan 0.000 0.432 144 R N -1.163 119.192 120.500 -0.242 0.000 2.080 144 R HA -0.190 4.149 4.340 -0.000 0.000 0.236 144 R C 2.299 178.431 176.300 -0.281 0.000 1.137 144 R CA 1.822 57.725 56.100 -0.329 0.000 0.943 144 R CB -0.369 29.627 30.300 -0.508 0.000 0.846 144 R HN 0.496 nan 8.270 nan 0.000 0.431 145 Q N -0.046 119.549 119.800 -0.342 0.000 2.045 145 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 145 Q C 2.145 178.045 176.000 -0.167 0.000 0.991 145 Q CA 1.939 57.564 55.803 -0.296 0.000 0.851 145 Q CB -0.610 27.853 28.738 -0.458 0.000 0.911 145 Q HN 0.369 nan 8.270 nan 0.000 0.418 146 A N 1.157 123.886 122.820 -0.151 0.000 1.869 146 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 146 A C 2.259 179.810 177.584 -0.055 0.000 1.203 146 A CA 1.880 53.869 52.037 -0.081 0.000 0.638 146 A CB -1.065 17.889 19.000 -0.076 0.000 0.831 146 A HN 0.390 nan 8.150 nan 0.000 0.450 147 L N -0.641 120.544 121.223 -0.063 0.000 2.353 147 L HA -0.100 4.240 4.340 -0.000 0.000 0.220 147 L C 2.453 179.307 176.870 -0.026 0.000 1.133 147 L CA 0.649 55.468 54.840 -0.033 0.000 0.798 147 L CB -0.523 41.530 42.059 -0.010 0.000 0.922 147 L HN 0.524 nan 8.230 nan 0.000 0.445 148 G N -1.200 107.570 108.800 -0.050 0.000 2.813 148 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.209 148 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.209 148 G C 1.232 176.119 174.900 -0.021 0.000 1.150 148 G CA -0.007 45.069 45.100 -0.040 0.000 0.785 148 G HN 0.244 nan 8.290 nan 0.000 0.535 149 E N 0.259 120.453 120.200 -0.010 0.000 2.538 149 E HA 0.132 4.481 4.350 -0.000 0.000 0.207 149 E C 0.289 176.919 176.600 0.052 0.000 1.002 149 E CA -0.445 55.962 56.400 0.011 0.000 0.952 149 E CB 0.387 30.094 29.700 0.012 0.000 1.031 149 E HN 0.321 nan 8.360 nan 0.000 0.476 150 R N 0.627 121.155 120.500 0.046 0.000 3.267 150 R HA -0.156 4.184 4.340 -0.000 0.000 0.254 150 R C -0.366 176.023 176.300 0.148 0.000 0.993 150 R CA 0.426 56.576 56.100 0.085 0.000 0.670 150 R CB -2.125 28.280 30.300 0.175 0.000 1.125 150 R HN 0.183 nan 8.270 nan 0.000 0.434 151 I N 0.924 121.537 120.570 0.072 0.000 2.354 151 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 151 I C 0.747 176.885 176.117 0.035 0.000 0.989 151 I CA -0.643 60.700 61.300 0.073 0.000 1.188 151 I CB 1.585 39.608 38.000 0.037 0.000 1.342 151 I HN 0.052 nan 8.210 nan 0.000 0.457 152 K N 8.520 128.951 120.400 0.052 0.000 2.322 152 K HA 0.341 4.661 4.320 -0.000 0.000 0.283 152 K C -2.430 174.157 176.600 -0.022 0.000 1.042 152 K CA -1.198 55.093 56.287 0.007 0.000 0.958 152 K CB 0.866 33.386 32.500 0.033 0.000 0.984 152 K HN 0.256 nan 8.250 nan 0.000 0.473 153 P HA 0.278 nan 4.420 nan 0.000 0.287 153 P C -1.288 175.944 177.300 -0.112 0.000 1.279 153 P CA -0.674 62.376 63.100 -0.083 0.000 0.867 153 P CB 1.820 33.460 31.700 -0.099 0.000 1.127 154 V N 1.569 121.407 119.914 -0.127 0.000 2.777 154 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 154 V C -0.228 175.755 176.094 -0.185 0.000 1.112 154 V CA -0.631 61.570 62.300 -0.164 0.000 0.917 154 V CB 2.520 34.270 31.823 -0.122 0.000 1.018 154 V HN 0.274 nan 8.190 nan 0.000 0.426 155 V N 5.295 125.060 119.914 -0.249 0.000 2.850 155 V HA 0.721 4.840 4.120 -0.000 0.000 0.315 155 V C -0.617 175.276 176.094 -0.334 0.000 1.064 155 V CA -0.672 61.468 62.300 -0.267 0.000 0.979 155 V CB 2.186 33.836 31.823 -0.288 0.000 1.039 155 V HN 0.581 nan 8.190 nan 0.000 0.452 156 V N 3.630 123.359 119.914 -0.309 0.000 2.569 156 V HA 0.460 4.579 4.120 -0.000 0.000 0.301 156 V C -0.530 175.363 176.094 -0.334 0.000 1.044 156 V CA -0.320 61.765 62.300 -0.358 0.000 0.874 156 V CB 1.772 33.442 31.823 -0.254 0.000 1.002 156 V HN 0.671 nan 8.190 nan 0.000 0.424 157 I N 4.299 124.606 120.570 -0.439 0.000 2.291 157 I HA 0.343 4.512 4.170 -0.000 0.000 0.292 157 I C 0.189 176.178 176.117 -0.215 0.000 1.064 157 I CA -0.008 61.122 61.300 -0.283 0.000 1.269 157 I CB 0.835 38.667 38.000 -0.279 0.000 1.418 157 I HN 0.610 nan 8.210 nan 0.000 0.485 158 N N 5.565 124.164 118.700 -0.168 0.000 2.482 158 N HA 0.309 5.049 4.740 -0.000 0.000 0.279 158 N C -0.426 175.015 175.510 -0.116 0.000 1.182 158 N CA -0.442 52.509 53.050 -0.165 0.000 0.969 158 N CB 0.845 39.246 38.487 -0.143 0.000 1.201 158 N HN 0.396 nan 8.380 nan 0.000 0.523 159 K N -0.050 120.279 120.400 -0.119 0.000 3.162 159 K HA -0.118 4.202 4.320 -0.000 0.000 0.268 159 K C 0.358 176.967 176.600 0.016 0.000 1.062 159 K CA 0.259 56.515 56.287 -0.051 0.000 0.769 159 K CB -2.033 30.436 32.500 -0.052 0.000 1.274 159 K HN 0.276 nan 8.250 nan 0.000 0.478 160 V N 0.236 120.175 119.914 0.041 0.000 2.453 160 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 160 V C 2.332 178.506 176.094 0.133 0.000 1.048 160 V CA 2.323 64.744 62.300 0.201 0.000 1.049 160 V CB -0.464 31.614 31.823 0.426 0.000 0.672 160 V HN 0.677 nan 8.190 nan 0.000 0.457 161 D N 1.204 121.692 120.400 0.147 0.000 2.133 161 D HA -0.347 4.292 4.640 -0.000 0.000 0.192 161 D C 2.124 178.445 176.300 0.035 0.000 1.001 161 D CA 2.045 56.095 54.000 0.083 0.000 0.844 161 D CB -0.521 40.262 40.800 -0.028 0.000 0.944 161 D HN 0.384 nan 8.370 nan 0.000 0.447 162 R N 0.258 120.794 120.500 0.060 0.000 2.193 162 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 162 R C 2.025 178.336 176.300 0.020 0.000 1.110 162 R CA 1.159 57.290 56.100 0.052 0.000 0.988 162 R CB -0.230 30.099 30.300 0.047 0.000 0.871 162 R HN 0.367 nan 8.270 nan 0.000 0.458 163 A N 0.602 123.424 122.820 0.002 0.000 1.935 163 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 163 A C 1.994 179.536 177.584 -0.070 0.000 1.178 163 A CA 0.549 52.577 52.037 -0.016 0.000 0.640 163 A CB -0.147 18.855 19.000 0.002 0.000 0.825 163 A HN 0.268 nan 8.150 nan 0.000 0.447 164 L N -1.027 120.098 121.223 -0.162 0.000 1.982 164 L HA -0.094 4.245 4.340 -0.000 0.000 0.206 164 L C 2.389 179.184 176.870 -0.124 0.000 1.078 164 L CA 0.712 55.382 54.840 -0.284 0.000 0.749 164 L CB -0.943 40.726 42.059 -0.651 0.000 0.894 164 L HN 0.230 nan 8.230 nan 0.000 0.436 165 L N 0.070 121.268 121.223 -0.041 0.000 2.013 165 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 165 L C 2.516 179.404 176.870 0.031 0.000 1.073 165 L CA 1.755 56.619 54.840 0.040 0.000 0.753 165 L CB -0.805 41.322 42.059 0.113 0.000 0.890 165 L HN 0.252 nan 8.230 nan 0.000 0.432 166 E N -0.814 119.402 120.200 0.026 0.000 1.999 166 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 166 E C 1.891 178.501 176.600 0.015 0.000 0.995 166 E CA 1.012 57.428 56.400 0.026 0.000 0.825 166 E CB -0.178 29.539 29.700 0.028 0.000 0.777 166 E HN 0.194 nan 8.360 nan 0.000 0.459 167 L N 0.970 122.196 121.223 0.006 0.000 2.591 167 L HA 0.021 4.361 4.340 -0.000 0.000 0.228 167 L C 0.248 177.120 176.870 0.003 0.000 1.133 167 L CA 0.691 55.535 54.840 0.007 0.000 0.880 167 L CB -0.395 41.669 42.059 0.008 0.000 1.033 167 L HN 0.125 nan 8.230 nan 0.000 0.450 168 Q N -0.058 119.733 119.800 -0.015 0.000 2.423 168 Q HA -0.218 4.121 4.340 -0.000 0.000 0.332 168 Q C 0.229 176.238 176.000 0.015 0.000 1.355 168 Q CA 0.358 56.149 55.803 -0.020 0.000 0.947 168 Q CB -1.544 27.195 28.738 0.002 0.000 1.189 168 Q HN 0.329 nan 8.270 nan 0.000 0.418 169 V N 0.740 120.666 119.914 0.020 0.000 3.237 169 V HA 0.239 4.359 4.120 -0.000 0.000 0.305 169 V C 0.795 177.001 176.094 0.187 0.000 1.096 169 V CA 0.692 63.036 62.300 0.072 0.000 1.130 169 V CB 1.703 33.560 31.823 0.057 0.000 1.048 169 V HN 0.561 nan 8.190 nan 0.000 0.484 170 S N 4.292 120.070 115.700 0.131 0.000 2.672 170 S HA 0.414 4.884 4.470 -0.000 0.000 0.276 170 S C 0.739 175.322 174.600 -0.029 0.000 1.207 170 S CA -0.297 57.964 58.200 0.102 0.000 1.002 170 S CB 1.349 64.555 63.200 0.010 0.000 0.998 170 S HN 0.758 nan 8.310 nan 0.000 0.542 171 K N 0.528 120.702 120.400 -0.377 0.000 1.991 171 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 171 K C 2.086 178.526 176.600 -0.267 0.000 1.049 171 K CA 1.729 57.605 56.287 -0.684 0.000 0.932 171 K CB -0.408 31.590 32.500 -0.836 0.000 0.717 171 K HN 0.734 nan 8.250 nan 0.000 0.441 172 E N 1.578 121.673 120.200 -0.176 0.000 2.097 172 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 172 E C 1.471 178.065 176.600 -0.010 0.000 1.000 172 E CA 1.714 58.067 56.400 -0.078 0.000 0.804 172 E CB -0.232 29.426 29.700 -0.069 0.000 0.740 172 E HN 0.206 nan 8.360 nan 0.000 0.454 173 D N -0.316 120.065 120.400 -0.030 0.000 2.097 173 D HA -0.166 4.473 4.640 -0.000 0.000 0.195 173 D C 2.000 178.267 176.300 -0.055 0.000 0.989 173 D CA 0.932 54.922 54.000 -0.016 0.000 0.827 173 D CB -0.387 40.410 40.800 -0.006 0.000 0.966 173 D HN 0.198 nan 8.370 nan 0.000 0.456 174 L N 0.442 121.601 121.223 -0.106 0.000 1.970 174 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 174 L C 2.382 179.003 176.870 -0.416 0.000 1.071 174 L CA 1.617 56.262 54.840 -0.326 0.000 0.751 174 L CB -1.147 40.743 42.059 -0.281 0.000 0.889 174 L HN 0.063 nan 8.230 nan 0.000 0.432 175 Y N -0.290 119.869 120.300 -0.234 0.000 2.139 175 Y HA -0.358 4.191 4.550 -0.000 0.000 0.282 175 Y C 2.565 178.432 175.900 -0.056 0.000 1.179 175 Y CA 2.236 60.285 58.100 -0.085 0.000 1.161 175 Y CB -0.172 38.232 38.460 -0.093 0.000 0.970 175 Y HN 0.342 nan 8.280 nan 0.000 0.511 176 Q N -0.342 119.502 119.800 0.073 0.000 2.050 176 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 176 Q C 2.320 178.319 176.000 -0.002 0.000 0.980 176 Q CA 2.219 58.046 55.803 0.039 0.000 0.840 176 Q CB -1.030 27.754 28.738 0.076 0.000 0.898 176 Q HN 0.509 nan 8.270 nan 0.000 0.424 177 T N 1.388 115.928 114.554 -0.024 0.000 2.684 177 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 177 T C 1.620 176.419 174.700 0.165 0.000 1.036 177 T CA 1.193 63.308 62.100 0.024 0.000 1.148 177 T CB -0.322 68.526 68.868 -0.033 0.000 0.863 177 T HN 0.081 nan 8.240 nan 0.000 0.436 178 F N 1.945 121.939 119.950 0.074 0.000 2.046 178 F HA -0.044 4.483 4.527 -0.001 0.000 0.297 178 F C 2.832 178.701 175.800 0.113 0.000 1.123 178 F CA 0.456 58.550 58.000 0.156 0.000 1.199 178 F CB -1.632 37.507 39.000 0.232 0.000 0.972 178 F HN 0.166 nan 8.300 nan 0.000 0.474 179 A N -0.045 122.904 122.820 0.214 0.000 1.948 179 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 179 A C 2.389 180.047 177.584 0.123 0.000 1.177 179 A CA 1.896 54.027 52.037 0.156 0.000 0.636 179 A CB -0.768 18.163 19.000 -0.115 0.000 0.815 179 A HN 0.361 nan 8.150 nan 0.000 0.449 180 R N -1.309 119.249 120.500 0.097 0.000 2.115 180 R HA -0.066 4.274 4.340 -0.000 0.000 0.230 180 R C 2.203 178.545 176.300 0.070 0.000 1.111 180 R CA 1.670 57.816 56.100 0.076 0.000 0.976 180 R CB -0.505 29.833 30.300 0.063 0.000 0.870 180 R HN 0.571 nan 8.270 nan 0.000 0.445 181 T N 0.663 115.271 114.554 0.091 0.000 2.732 181 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 181 T C 1.993 176.695 174.700 0.004 0.000 1.040 181 T CA 1.200 63.333 62.100 0.054 0.000 1.145 181 T CB -0.202 68.711 68.868 0.074 0.000 0.866 181 T HN -0.038 nan 8.240 nan 0.000 0.427 182 V N 1.931 121.843 119.914 -0.004 0.000 2.428 182 V HA -0.207 3.913 4.120 -0.000 0.000 0.255 182 V C 2.693 178.747 176.094 -0.068 0.000 1.080 182 V CA 1.730 63.978 62.300 -0.087 0.000 1.083 182 V CB -0.574 31.185 31.823 -0.107 0.000 0.665 182 V HN 0.390 nan 8.190 nan 0.000 0.461 183 E N 0.031 120.229 120.200 -0.003 0.000 2.046 183 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 183 E C 2.530 179.121 176.600 -0.014 0.000 0.982 183 E CA 1.370 57.772 56.400 0.003 0.000 0.800 183 E CB -0.315 29.408 29.700 0.039 0.000 0.756 183 E HN 0.591 nan 8.360 nan 0.000 0.449 184 S N 0.345 116.043 115.700 -0.003 0.000 2.369 184 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 184 S C 2.178 176.764 174.600 -0.024 0.000 1.043 184 S CA 1.608 59.806 58.200 -0.003 0.000 1.074 184 S CB -0.528 62.677 63.200 0.007 0.000 0.962 184 S HN 0.094 nan 8.310 nan 0.000 0.433 185 V N 3.069 122.953 119.914 -0.050 0.000 2.219 185 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 185 V C 2.098 178.138 176.094 -0.090 0.000 1.053 185 V CA 2.013 64.266 62.300 -0.078 0.000 1.009 185 V CB -0.879 30.868 31.823 -0.127 0.000 0.636 185 V HN 0.461 nan 8.190 nan 0.000 0.445 186 N N -0.044 118.583 118.700 -0.122 0.000 2.348 186 N HA -0.124 4.615 4.740 -0.000 0.000 0.185 186 N C 1.621 177.083 175.510 -0.080 0.000 1.019 186 N CA 1.209 54.178 53.050 -0.136 0.000 0.880 186 N CB -0.437 37.945 38.487 -0.176 0.000 0.965 186 N HN 0.416 nan 8.380 nan 0.000 0.437 187 V N 1.742 121.627 119.914 -0.049 0.000 2.261 187 V HA -0.187 3.932 4.120 -0.000 0.000 0.246 187 V C 2.303 178.376 176.094 -0.035 0.000 1.047 187 V CA 1.244 63.523 62.300 -0.036 0.000 1.015 187 V CB -0.392 31.423 31.823 -0.014 0.000 0.642 187 V HN 0.200 nan 8.190 nan 0.000 0.446 188 I N -0.147 120.428 120.570 0.007 0.000 2.127 188 I HA -0.229 3.941 4.170 -0.000 0.000 0.241 188 I C 2.452 178.611 176.117 0.069 0.000 1.075 188 I CA 1.452 62.808 61.300 0.093 0.000 1.334 188 I CB -0.750 37.297 38.000 0.079 0.000 1.040 188 I HN 0.142 nan 8.210 nan 0.000 0.405 189 V N 1.436 121.343 119.914 -0.011 0.000 2.252 189 V HA -0.330 3.789 4.120 -0.000 0.000 0.249 189 V C 2.719 178.781 176.094 -0.054 0.000 1.056 189 V CA 2.600 64.874 62.300 -0.042 0.000 1.022 189 V CB -0.998 30.760 31.823 -0.108 0.000 0.641 189 V HN 0.641 nan 8.190 nan 0.000 0.445 190 S N -0.940 114.712 115.700 -0.079 0.000 2.387 190 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 190 S C 1.890 176.411 174.600 -0.132 0.000 1.026 190 S CA 1.585 59.731 58.200 -0.090 0.000 0.972 190 S CB -0.702 62.451 63.200 -0.078 0.000 0.814 190 S HN 0.575 nan 8.310 nan 0.000 0.477 191 T N 0.688 115.124 114.554 -0.197 0.000 2.833 191 T HA 0.008 4.358 4.350 -0.000 0.000 0.269 191 T C 0.700 175.056 174.700 -0.573 0.000 1.054 191 T CA 1.346 63.192 62.100 -0.424 0.000 1.135 191 T CB -0.361 68.138 68.868 -0.614 0.000 0.869 191 T HN 0.629 nan 8.240 nan 0.000 0.466 192 Y N 0.226 120.491 120.300 -0.057 0.000 2.500 192 Y HA 0.624 5.173 4.550 -0.000 0.000 0.246 192 Y C 0.944 176.801 175.900 -0.072 0.000 1.146 192 Y CA -1.235 56.827 58.100 -0.063 0.000 1.230 192 Y CB 0.199 38.621 38.460 -0.064 0.000 1.214 192 Y HN 0.078 nan 8.280 nan 0.000 0.526 193 A N 0.349 123.184 122.820 0.026 0.000 2.331 193 A HA 0.364 4.684 4.320 -0.000 0.000 0.283 193 A C -0.455 177.099 177.584 -0.050 0.000 1.142 193 A CA -0.600 51.424 52.037 -0.022 0.000 0.812 193 A CB -0.013 18.954 19.000 -0.055 0.000 1.074 193 A HN 0.210 nan 8.150 nan 0.000 0.497 194 D N 1.185 121.548 120.400 -0.062 0.000 2.449 194 D HA 0.129 4.769 4.640 -0.000 0.000 0.236 194 D C 0.761 177.006 176.300 -0.091 0.000 1.149 194 D CA 0.560 54.517 54.000 -0.072 0.000 0.878 194 D CB 0.580 41.333 40.800 -0.077 0.000 1.198 194 D HN 0.657 nan 8.370 nan 0.000 0.446 195 E N 0.429 120.584 120.200 -0.075 0.000 2.526 195 E HA -0.053 4.297 4.350 -0.000 0.000 0.198 195 E C 1.160 177.709 176.600 -0.085 0.000 1.091 195 E CA -0.008 56.349 56.400 -0.071 0.000 0.880 195 E CB 0.231 29.899 29.700 -0.053 0.000 0.873 195 E HN 0.248 nan 8.360 nan 0.000 0.527 196 V N 0.170 120.018 119.914 -0.111 0.000 2.374 196 V HA -0.154 3.965 4.120 -0.000 0.000 0.241 196 V C 2.125 178.058 176.094 -0.268 0.000 1.034 196 V CA 0.804 63.019 62.300 -0.141 0.000 1.037 196 V CB -0.322 31.432 31.823 -0.117 0.000 0.682 196 V HN 0.275 nan 8.190 nan 0.000 0.463 197 L N 0.196 121.201 121.223 -0.362 0.000 2.129 197 L HA 0.071 4.411 4.340 -0.000 0.000 0.212 197 L C 1.448 178.152 176.870 -0.277 0.000 1.087 197 L CA 1.576 56.117 54.840 -0.497 0.000 0.757 197 L CB -0.775 41.074 42.059 -0.349 0.000 0.896 197 L HN 0.662 nan 8.230 nan 0.000 0.434 198 G N -0.510 108.185 108.800 -0.174 0.000 2.451 198 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.208 198 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.208 198 G C -0.915 173.937 174.900 -0.080 0.000 1.248 198 G CA -0.121 44.917 45.100 -0.102 0.000 0.989 198 G HN 0.231 nan 8.290 nan 0.000 0.559 199 D N -0.229 120.144 120.400 -0.045 0.000 2.374 199 D HA 0.421 5.060 4.640 -0.000 0.000 0.240 199 D C 0.516 176.792 176.300 -0.039 0.000 1.229 199 D CA 0.450 54.434 54.000 -0.026 0.000 0.895 199 D CB 1.197 42.011 40.800 0.023 0.000 1.046 199 D HN 0.897 nan 8.370 nan 0.000 0.498 200 V N 4.835 124.703 119.914 -0.077 0.000 2.843 200 V HA 0.196 4.315 4.120 -0.000 0.000 0.366 200 V C -0.118 175.885 176.094 -0.152 0.000 1.283 200 V CA -0.233 62.008 62.300 -0.097 0.000 1.303 200 V CB -0.339 31.423 31.823 -0.102 0.000 1.418 200 V HN 0.542 nan 8.190 nan 0.000 0.598 201 Q N 0.651 120.331 119.800 -0.200 0.000 2.260 201 Q HA 0.471 4.811 4.340 -0.000 0.000 0.242 201 Q C -0.230 175.415 176.000 -0.591 0.000 0.932 201 Q CA -0.349 55.220 55.803 -0.391 0.000 0.891 201 Q CB 2.272 30.724 28.738 -0.476 0.000 1.222 201 Q HN 0.526 nan 8.270 nan 0.000 0.453 202 V N -0.099 119.449 119.914 -0.610 0.000 2.498 202 V HA 0.395 4.515 4.120 -0.000 0.000 0.279 202 V C -1.172 174.451 176.094 -0.785 0.000 1.048 202 V CA -0.421 61.537 62.300 -0.569 0.000 0.967 202 V CB 0.139 31.713 31.823 -0.415 0.000 0.988 202 V HN 0.537 nan 8.190 nan 0.000 0.473 203 Y N 4.336 124.464 120.300 -0.286 0.000 2.346 203 Y HA 0.483 5.033 4.550 -0.000 0.000 0.332 203 Y C -1.960 173.694 175.900 -0.410 0.000 0.985 203 Y CA -2.224 55.688 58.100 -0.314 0.000 1.112 203 Y CB 2.239 40.573 38.460 -0.210 0.000 1.170 203 Y HN 0.414 nan 8.280 nan 0.000 0.447 204 P HA -0.278 nan 4.420 nan 0.000 0.215 204 P C 1.385 178.546 177.300 -0.231 0.000 1.163 204 P CA 2.884 65.656 63.100 -0.545 0.000 0.894 204 P CB 0.296 31.222 31.700 -1.290 0.000 0.791 205 A N -0.219 122.491 122.820 -0.184 0.000 1.986 205 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 205 A C 2.084 179.683 177.584 0.025 0.000 1.171 205 A CA 1.666 53.721 52.037 0.029 0.000 0.640 205 A CB -1.083 17.962 19.000 0.074 0.000 0.811 205 A HN 0.166 nan 8.150 nan 0.000 0.451 206 R N -1.703 118.788 120.500 -0.016 0.000 2.313 206 R HA 0.212 4.552 4.340 -0.000 0.000 0.199 206 R C 1.255 177.532 176.300 -0.038 0.000 0.958 206 R CA 0.535 56.631 56.100 -0.007 0.000 1.047 206 R CB -0.062 30.236 30.300 -0.004 0.000 0.955 206 R HN 0.721 nan 8.270 nan 0.000 0.481 207 G N 0.830 109.587 108.800 -0.072 0.000 2.159 207 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.227 207 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.227 207 G C 0.707 175.456 174.900 -0.252 0.000 0.986 207 G CA 0.532 45.609 45.100 -0.038 0.000 0.651 207 G HN 0.415 nan 8.290 nan 0.000 0.523 208 T N -2.151 112.152 114.554 -0.418 0.000 3.186 208 T HA 0.603 4.953 4.350 -0.000 0.000 0.257 208 T C 0.185 174.653 174.700 -0.387 0.000 1.029 208 T CA 0.299 62.132 62.100 -0.445 0.000 0.916 208 T CB 1.100 69.659 68.868 -0.514 0.000 1.041 208 T HN 0.844 nan 8.240 nan 0.000 0.562 209 V N 1.158 120.819 119.914 -0.421 0.000 2.623 209 V HA 0.812 4.931 4.120 -0.000 0.000 0.304 209 V C -0.317 175.324 176.094 -0.754 0.000 1.054 209 V CA -1.129 60.800 62.300 -0.617 0.000 0.882 209 V CB 1.374 32.760 31.823 -0.729 0.000 1.002 209 V HN 0.610 nan 8.190 nan 0.000 0.424 210 A N 4.468 126.790 122.820 -0.830 0.000 2.356 210 A HA 1.019 5.338 4.320 -0.000 0.000 0.323 210 A C -1.355 175.530 177.584 -1.165 0.000 1.119 210 A CA -0.442 51.123 52.037 -0.786 0.000 0.790 210 A CB 1.309 20.060 19.000 -0.415 0.000 1.273 210 A HN 0.626 nan 8.150 nan 0.000 0.452 211 F N 0.084 119.561 119.950 -0.789 0.000 2.551 211 F HA 0.786 5.313 4.527 -0.000 0.000 0.316 211 F C 0.803 176.225 175.800 -0.631 0.000 1.089 211 F CA 0.386 57.906 58.000 -0.801 0.000 0.915 211 F CB 2.697 41.102 39.000 -0.992 0.000 1.186 211 F HN 1.050 nan 8.300 nan 0.000 0.456 212 G N 0.378 108.965 108.800 -0.354 0.000 2.356 212 G HA2 0.449 4.409 3.960 -0.000 0.000 0.281 212 G HA3 0.449 4.409 3.960 -0.000 0.000 0.281 212 G C -1.810 172.498 174.900 -0.987 0.000 1.246 212 G CA -0.536 44.043 45.100 -0.867 0.000 0.889 212 G HN 0.784 nan 8.290 nan 0.000 0.486 213 S N -1.202 113.788 115.700 -1.183 0.000 2.649 213 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 213 S C 1.101 175.505 174.600 -0.326 0.000 1.176 213 S CA 0.827 58.641 58.200 -0.643 0.000 0.988 213 S CB 1.054 63.933 63.200 -0.535 0.000 1.071 213 S HN 1.900 nan 8.310 nan 0.000 0.478 214 G N 3.559 112.276 108.800 -0.139 0.000 2.453 214 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 214 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 214 G C 1.292 176.216 174.900 0.040 0.000 1.201 214 G CA 1.125 46.200 45.100 -0.043 0.000 0.784 214 G HN 0.713 nan 8.290 nan 0.000 0.545 215 L N 0.813 122.094 121.223 0.097 0.000 1.957 215 L HA -0.224 4.115 4.340 -0.000 0.000 0.228 215 L C 2.545 179.498 176.870 0.138 0.000 1.086 215 L CA 2.508 57.427 54.840 0.131 0.000 0.796 215 L CB -1.182 41.012 42.059 0.225 0.000 0.900 215 L HN 0.402 nan 8.230 nan 0.000 0.439 216 H N 0.334 119.503 119.070 0.164 0.000 2.567 216 H HA 0.268 4.824 4.556 -0.000 0.000 0.276 216 H C 1.405 176.921 175.328 0.313 0.000 1.016 216 H CA 0.463 56.685 56.048 0.290 0.000 1.186 216 H CB -0.862 29.231 29.762 0.552 0.000 1.351 216 H HN 0.600 nan 8.280 nan 0.000 0.605 217 G N 0.418 109.369 108.800 0.252 0.000 2.323 217 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 217 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 217 G C -0.075 174.988 174.900 0.272 0.000 1.040 217 G CA 0.533 45.740 45.100 0.180 0.000 0.942 217 G HN 0.580 nan 8.290 nan 0.000 0.506 218 W N -1.701 119.706 121.300 0.177 0.000 2.882 218 W HA 0.850 5.510 4.660 -0.000 0.000 0.345 218 W C -0.245 176.383 176.519 0.181 0.000 1.125 218 W CA -1.635 55.820 57.345 0.184 0.000 1.167 218 W CB 1.552 31.161 29.460 0.247 0.000 1.431 218 W HN 1.109 nan 8.180 nan 0.000 0.543 219 A N 2.686 125.743 122.820 0.395 0.000 2.594 219 A HA 0.780 5.099 4.320 -0.000 0.000 0.296 219 A C -1.995 175.814 177.584 0.375 0.000 1.056 219 A CA -0.743 51.416 52.037 0.203 0.000 0.693 219 A CB 1.038 20.015 19.000 -0.038 0.000 1.278 219 A HN 1.095 nan 8.150 nan 0.000 0.408 220 F N -0.478 119.636 119.950 0.274 0.000 2.664 220 F HA 0.941 5.468 4.527 -0.000 0.000 0.317 220 F C -0.181 175.781 175.800 0.269 0.000 1.108 220 F CA -0.197 57.962 58.000 0.266 0.000 0.957 220 F CB 1.557 40.805 39.000 0.413 0.000 1.365 220 F HN 0.962 nan 8.300 nan 0.000 0.475 221 T N -0.796 114.061 114.554 0.505 0.000 2.896 221 T HA 0.440 4.789 4.350 -0.000 0.000 0.297 221 T C 0.536 175.591 174.700 0.591 0.000 1.108 221 T CA -0.793 61.518 62.100 0.353 0.000 1.004 221 T CB 1.484 70.442 68.868 0.150 0.000 1.159 221 T HN 0.652 nan 8.240 nan 0.000 0.499 222 I N 0.917 121.800 120.570 0.522 0.000 2.163 222 I HA -0.121 4.049 4.170 -0.000 0.000 0.243 222 I C 2.724 179.063 176.117 0.371 0.000 1.085 222 I CA 1.563 63.177 61.300 0.523 0.000 1.347 222 I CB -1.165 37.089 38.000 0.423 0.000 1.044 222 I HN 0.860 nan 8.210 nan 0.000 0.408 223 R N 0.918 121.569 120.500 0.251 0.000 2.117 223 R HA -0.230 4.110 4.340 -0.000 0.000 0.243 223 R C 2.261 178.647 176.300 0.143 0.000 1.143 223 R CA 1.667 57.870 56.100 0.171 0.000 0.968 223 R CB -0.060 30.315 30.300 0.126 0.000 0.863 223 R HN 0.503 nan 8.270 nan 0.000 0.444 224 Q N -1.039 118.853 119.800 0.153 0.000 2.079 224 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 224 Q C 1.901 177.865 176.000 -0.060 0.000 0.974 224 Q CA 1.530 57.352 55.803 0.032 0.000 0.840 224 Q CB -0.076 28.668 28.738 0.009 0.000 0.898 224 Q HN 0.325 nan 8.270 nan 0.000 0.430 225 F N 0.518 120.467 119.950 -0.002 0.000 2.206 225 F HA -0.062 4.464 4.527 -0.000 0.000 0.298 225 F C 2.317 178.071 175.800 -0.077 0.000 1.090 225 F CA 0.928 58.840 58.000 -0.147 0.000 1.323 225 F CB -0.334 38.608 39.000 -0.098 0.000 1.028 225 F HN 0.036 nan 8.300 nan 0.000 0.492 226 A N -0.885 122.078 122.820 0.239 0.000 1.978 226 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 226 A C 2.187 179.842 177.584 0.118 0.000 1.170 226 A CA 2.294 54.444 52.037 0.187 0.000 0.636 226 A CB -1.171 17.925 19.000 0.161 0.000 0.810 226 A HN 0.340 nan 8.150 nan 0.000 0.448 227 T N -1.388 113.203 114.554 0.061 0.000 2.978 227 T HA -0.019 4.331 4.350 -0.000 0.000 0.262 227 T C 2.012 176.716 174.700 0.006 0.000 1.063 227 T CA 1.080 63.197 62.100 0.029 0.000 1.140 227 T CB -0.096 68.774 68.868 0.004 0.000 0.886 227 T HN 0.568 nan 8.240 nan 0.000 0.470 228 R N 0.051 120.510 120.500 -0.068 0.000 2.064 228 R HA -0.065 4.274 4.340 -0.000 0.000 0.228 228 R C 1.700 178.016 176.300 0.027 0.000 1.144 228 R CA 1.431 57.457 56.100 -0.123 0.000 0.932 228 R CB -0.288 29.788 30.300 -0.374 0.000 0.833 228 R HN 0.306 nan 8.270 nan 0.000 0.429 229 Y N 0.562 120.939 120.300 0.128 0.000 2.632 229 Y HA 0.107 4.657 4.550 -0.000 0.000 0.301 229 Y C 1.963 177.956 175.900 0.156 0.000 1.172 229 Y CA 0.087 58.269 58.100 0.136 0.000 1.328 229 Y CB -0.712 37.870 38.460 0.204 0.000 1.016 229 Y HN 0.266 nan 8.280 nan 0.000 0.529 230 A N 0.517 123.482 122.820 0.241 0.000 1.858 230 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 230 A C 2.313 179.991 177.584 0.156 0.000 1.190 230 A CA 1.694 53.835 52.037 0.174 0.000 0.617 230 A CB -0.379 18.684 19.000 0.104 0.000 0.827 230 A HN 0.347 nan 8.150 nan 0.000 0.443 231 K N -0.243 120.227 120.400 0.117 0.000 2.097 231 K HA -0.098 4.221 4.320 -0.000 0.000 0.205 231 K C 2.114 178.764 176.600 0.083 0.000 1.050 231 K CA 1.446 57.785 56.287 0.088 0.000 0.938 231 K CB -0.148 32.388 32.500 0.060 0.000 0.718 231 K HN 0.418 nan 8.250 nan 0.000 0.442 232 K N 0.202 120.648 120.400 0.076 0.000 1.985 232 K HA -0.088 4.232 4.320 -0.000 0.000 0.210 232 K C 1.066 177.637 176.600 -0.048 0.000 1.047 232 K CA 1.113 57.387 56.287 -0.022 0.000 0.932 232 K CB -0.216 32.232 32.500 -0.086 0.000 0.716 232 K HN -0.085 nan 8.250 nan 0.000 0.439 233 F N -0.412 119.573 119.950 0.059 0.000 2.266 233 F HA 0.116 4.642 4.527 -0.000 0.000 0.287 233 F C 1.881 177.719 175.800 0.064 0.000 1.255 233 F CA 0.355 58.385 58.000 0.049 0.000 1.201 233 F CB 0.017 39.038 39.000 0.036 0.000 1.450 233 F HN 0.065 nan 8.300 nan 0.000 0.510 234 G N -0.621 108.366 108.800 0.313 0.000 3.159 234 G HA2 0.321 4.281 3.960 -0.000 0.000 0.232 234 G HA3 0.321 4.281 3.960 -0.000 0.000 0.232 234 G C -0.367 174.605 174.900 0.120 0.000 1.116 234 G CA -0.017 45.190 45.100 0.177 0.000 0.767 234 G HN 0.258 nan 8.290 nan 0.000 0.547 235 V N 1.726 121.705 119.914 0.107 0.000 2.953 235 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 235 V C 0.605 176.719 176.094 0.034 0.000 1.073 235 V CA -0.847 61.471 62.300 0.030 0.000 1.064 235 V CB 1.264 33.050 31.823 -0.062 0.000 1.047 235 V HN 0.527 nan 8.190 nan 0.000 0.478 236 D N 1.889 122.296 120.400 0.010 0.000 2.314 236 D HA 0.101 4.741 4.640 -0.000 0.000 0.252 236 D C 0.830 177.140 176.300 0.016 0.000 1.295 236 D CA -0.141 53.869 54.000 0.017 0.000 0.995 236 D CB 0.347 41.151 40.800 0.006 0.000 1.125 236 D HN 0.685 nan 8.370 nan 0.000 0.537 237 K N -1.529 118.885 120.400 0.023 0.000 2.361 237 K HA 0.303 4.623 4.320 -0.000 0.000 0.194 237 K C 1.681 178.293 176.600 0.020 0.000 1.032 237 K CA 0.148 56.454 56.287 0.032 0.000 1.048 237 K CB 0.230 32.758 32.500 0.048 0.000 0.842 237 K HN 0.331 nan 8.250 nan 0.000 0.526 238 A N 2.338 125.162 122.820 0.006 0.000 1.855 238 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 238 A C 2.186 179.755 177.584 -0.026 0.000 1.191 238 A CA 1.710 53.748 52.037 0.002 0.000 0.613 238 A CB -0.423 18.576 19.000 -0.002 0.000 0.829 238 A HN 0.274 nan 8.150 nan 0.000 0.442 239 K N -0.710 119.657 120.400 -0.056 0.000 2.026 239 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 239 K C 1.902 178.403 176.600 -0.166 0.000 1.048 239 K CA 2.100 58.318 56.287 -0.115 0.000 0.929 239 K CB -0.475 31.943 32.500 -0.136 0.000 0.713 239 K HN 0.277 nan 8.250 nan 0.000 0.439 240 M N 0.939 120.457 119.600 -0.136 0.000 2.106 240 M HA -0.119 4.360 4.480 -0.000 0.000 0.259 240 M C 1.800 178.058 176.300 -0.069 0.000 1.068 240 M CA 1.879 57.088 55.300 -0.151 0.000 1.100 240 M CB -0.385 32.198 32.600 -0.029 0.000 1.351 240 M HN 0.437 nan 8.290 nan 0.000 0.404 241 M N -3.017 116.590 119.600 0.012 0.000 2.618 241 M HA 0.083 4.563 4.480 -0.000 0.000 0.240 241 M C 1.002 177.353 176.300 0.085 0.000 1.123 241 M CA 0.928 56.282 55.300 0.091 0.000 1.060 241 M CB -0.498 32.176 32.600 0.124 0.000 1.535 241 M HN 0.009 nan 8.290 nan 0.000 0.507 242 D N 2.120 122.522 120.400 0.003 0.000 2.110 242 D HA -0.040 4.600 4.640 -0.000 0.000 0.202 242 D C 2.069 178.379 176.300 0.017 0.000 0.975 242 D CA 1.229 55.232 54.000 0.006 0.000 0.839 242 D CB 0.018 40.782 40.800 -0.059 0.000 0.996 242 D HN 0.449 nan 8.370 nan 0.000 0.464 243 R N 0.352 120.789 120.500 -0.105 0.000 2.091 243 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 243 R C 2.502 178.828 176.300 0.043 0.000 1.136 243 R CA 0.632 56.647 56.100 -0.142 0.000 0.959 243 R CB -0.455 29.535 30.300 -0.517 0.000 0.856 243 R HN 0.221 nan 8.270 nan 0.000 0.437 244 L N -0.365 120.933 121.223 0.126 0.000 2.556 244 L HA -0.127 4.212 4.340 -0.000 0.000 0.230 244 L C 0.739 177.917 176.870 0.514 0.000 1.163 244 L CA 0.525 55.560 54.840 0.325 0.000 0.819 244 L CB -0.277 41.998 42.059 0.359 0.000 0.939 244 L HN 0.338 nan 8.230 nan 0.000 0.452 245 W N -0.540 120.864 121.300 0.173 0.000 3.138 245 W HA 0.428 5.088 4.660 -0.000 0.000 0.331 245 W C 0.401 176.977 176.519 0.097 0.000 1.166 245 W CA 0.237 57.667 57.345 0.140 0.000 1.212 245 W CB 1.529 31.045 29.460 0.093 0.000 1.399 245 W HN 0.039 nan 8.180 nan 0.000 0.514 246 G N 3.801 112.209 108.800 -0.653 0.000 2.603 246 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.245 246 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.245 246 G C -0.855 173.876 174.900 -0.282 0.000 1.195 246 G CA 0.188 45.119 45.100 -0.281 0.000 0.953 246 G HN 0.405 nan 8.290 nan 0.000 0.566 247 D N 1.884 122.208 120.400 -0.127 0.000 2.479 247 D HA 0.638 5.277 4.640 -0.000 0.000 0.247 247 D C -0.641 175.603 176.300 -0.093 0.000 1.119 247 D CA 0.258 54.193 54.000 -0.109 0.000 0.922 247 D CB 0.980 41.871 40.800 0.151 0.000 1.014 247 D HN 0.391 nan 8.370 nan 0.000 0.510 248 S N 1.404 116.848 115.700 -0.428 0.000 2.619 248 S HA 0.547 5.017 4.470 -0.000 0.000 0.280 248 S C -0.993 173.399 174.600 -0.348 0.000 1.150 248 S CA -0.591 57.545 58.200 -0.106 0.000 0.978 248 S CB 0.883 64.102 63.200 0.030 0.000 1.041 248 S HN 0.140 nan 8.310 nan 0.000 0.485 249 F N 2.159 122.276 119.950 0.278 0.000 2.532 249 F HA 0.613 5.139 4.527 -0.000 0.000 0.321 249 F C -0.527 175.414 175.800 0.236 0.000 1.089 249 F CA -0.932 57.191 58.000 0.205 0.000 0.926 249 F CB 1.310 40.345 39.000 0.058 0.000 1.168 249 F HN 0.526 nan 8.300 nan 0.000 0.459 250 F N 3.686 123.669 119.950 0.055 0.000 2.443 250 F HA 0.335 4.861 4.527 -0.000 0.000 0.369 250 F C -0.035 175.656 175.800 -0.181 0.000 1.090 250 F CA -0.841 56.979 58.000 -0.299 0.000 1.129 250 F CB 0.174 38.832 39.000 -0.569 0.000 1.367 250 F HN 0.402 nan 8.300 nan 0.000 0.465 251 N N 6.833 125.287 118.700 -0.410 0.000 2.438 251 N HA 0.058 4.797 4.740 -0.000 0.000 0.267 251 N C -1.898 173.311 175.510 -0.502 0.000 1.222 251 N CA -1.136 51.717 53.050 -0.328 0.000 0.930 251 N CB 1.424 39.762 38.487 -0.247 0.000 1.083 251 N HN 0.285 nan 8.380 nan 0.000 0.476 252 P HA -0.184 nan 4.420 nan 0.000 0.212 252 P C 0.971 178.144 177.300 -0.211 0.000 1.178 252 P CA 2.002 64.984 63.100 -0.198 0.000 0.915 252 P CB 0.260 31.910 31.700 -0.084 0.000 0.788 253 K N -0.518 119.786 120.400 -0.160 0.000 1.990 253 K HA -0.234 4.086 4.320 -0.000 0.000 0.225 253 K C 2.201 178.705 176.600 -0.159 0.000 1.053 253 K CA 2.639 58.849 56.287 -0.128 0.000 0.982 253 K CB -1.976 30.459 32.500 -0.107 0.000 0.734 253 K HN 0.296 nan 8.250 nan 0.000 0.448 254 T N -0.289 114.148 114.554 -0.195 0.000 2.760 254 T HA -0.201 4.148 4.350 -0.000 0.000 0.269 254 T C 0.714 175.263 174.700 -0.252 0.000 1.047 254 T CA 1.438 63.419 62.100 -0.199 0.000 1.139 254 T CB -0.356 68.385 68.868 -0.212 0.000 0.855 254 T HN 0.205 nan 8.240 nan 0.000 0.471 255 K N 0.897 121.050 120.400 -0.411 0.000 3.117 255 K HA -0.121 4.199 4.320 -0.000 0.000 0.269 255 K C -0.489 175.800 176.600 -0.518 0.000 1.098 255 K CA 0.984 56.997 56.287 -0.456 0.000 0.785 255 K CB -1.671 30.754 32.500 -0.124 0.000 1.242 255 K HN 0.696 nan 8.250 nan 0.000 0.491 256 K N -0.896 119.059 120.400 -0.742 0.000 2.536 256 K HA 0.430 4.750 4.320 -0.000 0.000 0.269 256 K C -0.703 175.635 176.600 -0.437 0.000 0.965 256 K CA -0.880 55.165 56.287 -0.405 0.000 0.860 256 K CB 1.017 33.442 32.500 -0.125 0.000 1.423 256 K HN -0.039 nan 8.250 nan 0.000 0.438 257 W N 1.038 122.348 121.300 0.016 0.000 2.315 257 W HA 0.355 5.015 4.660 -0.000 0.000 0.316 257 W C 0.084 176.646 176.519 0.073 0.000 1.211 257 W CA -0.017 57.397 57.345 0.114 0.000 1.201 257 W CB 1.283 30.826 29.460 0.139 0.000 1.184 257 W HN 0.312 nan 8.180 nan 0.000 0.544 258 T N 2.141 116.909 114.554 0.358 0.000 2.916 258 T HA 0.269 4.618 4.350 -0.000 0.000 0.292 258 T C 0.258 175.170 174.700 0.353 0.000 1.064 258 T CA -0.915 61.332 62.100 0.245 0.000 1.011 258 T CB 1.445 70.374 68.868 0.101 0.000 1.152 258 T HN 0.332 nan 8.240 nan 0.000 0.510 259 N N 0.760 119.593 118.700 0.222 0.000 2.200 259 N HA 0.150 4.889 4.740 -0.000 0.000 0.224 259 N C -0.723 174.865 175.510 0.130 0.000 1.179 259 N CA -0.021 53.177 53.050 0.246 0.000 0.877 259 N CB 0.928 39.501 38.487 0.143 0.000 1.072 259 N HN 0.453 nan 8.380 nan 0.000 0.519 260 K N 1.477 121.839 120.400 -0.064 0.000 2.413 260 K HA 0.210 4.530 4.320 -0.000 0.000 0.257 260 K C -1.041 175.116 176.600 -0.739 0.000 0.946 260 K CA -0.785 55.344 56.287 -0.262 0.000 0.823 260 K CB 1.626 34.028 32.500 -0.165 0.000 1.109 260 K HN 0.051 nan 8.250 nan 0.000 0.427 261 D N 0.444 120.302 120.400 -0.904 0.000 2.339 261 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 261 D C 0.331 176.328 176.300 -0.506 0.000 1.115 261 D CA -0.362 52.958 54.000 -1.134 0.000 0.917 261 D CB 0.914 41.337 40.800 -0.629 0.000 1.192 261 D HN 0.615 nan 8.370 nan 0.000 0.428 262 T N -1.354 112.973 114.554 -0.378 0.000 4.096 262 T HA -0.348 4.002 4.350 -0.000 0.000 0.343 262 T C 0.618 175.194 174.700 -0.208 0.000 0.756 262 T CA 1.416 63.386 62.100 -0.217 0.000 1.914 262 T CB -2.237 66.538 68.868 -0.155 0.000 1.873 262 T HN 0.635 nan 8.240 nan 0.000 0.850 263 D N 1.058 121.304 120.400 -0.256 0.000 2.077 263 D HA 0.099 4.739 4.640 -0.000 0.000 0.196 263 D C 2.309 178.534 176.300 -0.125 0.000 0.986 263 D CA 1.998 55.884 54.000 -0.191 0.000 0.829 263 D CB -0.711 39.974 40.800 -0.192 0.000 0.983 263 D HN 0.814 nan 8.370 nan 0.000 0.453 264 A N -0.459 122.294 122.820 -0.112 0.000 1.872 264 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 264 A C 2.212 179.753 177.584 -0.072 0.000 1.187 264 A CA 1.666 53.651 52.037 -0.085 0.000 0.614 264 A CB -0.596 18.354 19.000 -0.084 0.000 0.826 264 A HN 0.267 nan 8.150 nan 0.000 0.442 265 E N -2.293 117.862 120.200 -0.074 0.000 2.079 265 E HA 0.298 4.648 4.350 -0.000 0.000 0.191 265 E C 1.234 177.798 176.600 -0.060 0.000 0.961 265 E CA 1.195 57.558 56.400 -0.061 0.000 0.823 265 E CB 0.266 29.930 29.700 -0.060 0.000 0.789 265 E HN 0.600 nan 8.360 nan 0.000 0.459 266 G N -0.438 108.320 108.800 -0.070 0.000 3.288 266 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.219 266 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.219 266 G C -0.289 174.566 174.900 -0.075 0.000 0.944 266 G CA -0.402 44.657 45.100 -0.069 0.000 0.854 266 G HN 0.023 nan 8.290 nan 0.000 0.632 267 K N 0.986 121.339 120.400 -0.077 0.000 2.090 267 K HA 0.617 4.936 4.320 -0.000 0.000 0.249 267 K C -2.425 174.118 176.600 -0.095 0.000 0.995 267 K CA -1.991 54.251 56.287 -0.076 0.000 0.914 267 K CB 0.801 33.262 32.500 -0.065 0.000 1.057 267 K HN -0.070 nan 8.250 nan 0.000 0.462 268 P HA -0.003 nan 4.420 nan 0.000 0.266 268 P C -0.975 176.275 177.300 -0.084 0.000 1.193 268 P CA 0.430 63.478 63.100 -0.086 0.000 0.770 268 P CB 0.415 32.078 31.700 -0.061 0.000 0.836 269 L N 1.911 123.091 121.223 -0.073 0.000 2.441 269 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 269 L C 0.521 177.516 176.870 0.208 0.000 0.973 269 L CA -0.705 54.148 54.840 0.020 0.000 0.842 269 L CB 1.808 43.831 42.059 -0.060 0.000 1.239 269 L HN 0.360 nan 8.230 nan 0.000 0.406 270 E N 4.234 124.497 120.200 0.105 0.000 2.392 270 E HA 0.083 4.433 4.350 -0.000 0.000 0.264 270 E C -0.092 176.542 176.600 0.057 0.000 1.024 270 E CA -0.540 55.887 56.400 0.044 0.000 0.903 270 E CB 1.053 30.704 29.700 -0.081 0.000 0.963 270 E HN 0.411 nan 8.360 nan 0.000 0.432 271 R N 3.344 123.769 120.500 -0.126 0.000 2.401 271 R HA 0.062 4.402 4.340 -0.000 0.000 0.299 271 R C 0.886 177.040 176.300 -0.245 0.000 1.064 271 R CA 0.597 56.421 56.100 -0.460 0.000 1.000 271 R CB 0.585 30.520 30.300 -0.608 0.000 0.973 271 R HN 0.759 nan 8.270 nan 0.000 0.438 272 A N 5.924 128.667 122.820 -0.127 0.000 1.935 272 A HA -0.317 4.003 4.320 -0.000 0.000 0.224 272 A C 1.694 179.446 177.584 0.280 0.000 1.324 272 A CA 2.104 54.323 52.037 0.303 0.000 0.686 272 A CB -0.914 18.323 19.000 0.396 0.000 0.837 272 A HN 0.921 nan 8.150 nan 0.000 0.481 273 F N 1.349 121.287 119.950 -0.020 0.000 2.043 273 F HA -0.267 4.260 4.527 -0.000 0.000 0.297 273 F C 2.021 177.781 175.800 -0.066 0.000 1.121 273 F CA 2.575 60.580 58.000 0.008 0.000 1.199 273 F CB -0.638 38.350 39.000 -0.019 0.000 0.968 273 F HN 0.334 nan 8.300 nan 0.000 0.478 274 N N -0.199 118.427 118.700 -0.123 0.000 2.166 274 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 274 N C 1.970 177.299 175.510 -0.301 0.000 1.019 274 N CA 1.663 54.552 53.050 -0.269 0.000 0.856 274 N CB -0.417 37.926 38.487 -0.240 0.000 0.993 274 N HN 0.422 nan 8.380 nan 0.000 0.426 275 M N -0.746 118.698 119.600 -0.260 0.000 2.081 275 M HA -0.052 4.427 4.480 -0.000 0.000 0.261 275 M C 0.830 176.863 176.300 -0.446 0.000 1.075 275 M CA 1.649 56.716 55.300 -0.388 0.000 1.133 275 M CB -0.063 32.229 32.600 -0.514 0.000 1.330 275 M HN 0.046 nan 8.290 nan 0.000 0.414 276 F N -0.331 119.540 119.950 -0.132 0.000 2.710 276 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 276 F C 1.766 177.473 175.800 -0.155 0.000 1.137 276 F CA 0.637 58.593 58.000 -0.074 0.000 1.444 276 F CB -0.040 38.967 39.000 0.012 0.000 1.111 276 F HN 0.143 nan 8.300 nan 0.000 0.580 277 I N -1.720 118.642 120.570 -0.347 0.000 3.623 277 I HA -0.047 4.122 4.170 -0.000 0.000 0.253 277 I C 1.784 177.538 176.117 -0.605 0.000 1.144 277 I CA 0.234 61.016 61.300 -0.863 0.000 1.461 277 I CB -0.150 37.088 38.000 -1.270 0.000 1.575 277 I HN -0.160 nan 8.210 nan 0.000 0.445 278 L N 0.948 121.821 121.223 -0.582 0.000 2.265 278 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 278 L C 1.896 178.669 176.870 -0.162 0.000 1.117 278 L CA 1.257 55.911 54.840 -0.310 0.000 0.782 278 L CB -0.603 41.198 42.059 -0.429 0.000 0.914 278 L HN 0.344 nan 8.230 nan 0.000 0.441 279 D N 0.126 120.401 120.400 -0.208 0.000 2.075 279 D HA -0.107 4.532 4.640 -0.000 0.000 0.196 279 D C -0.482 175.840 176.300 0.036 0.000 0.985 279 D CA 1.136 55.074 54.000 -0.103 0.000 0.834 279 D CB -0.750 39.958 40.800 -0.153 0.000 0.987 279 D HN 0.026 nan 8.370 nan 0.000 0.452 280 P HA -0.162 nan 4.420 nan 0.000 0.215 280 P C 1.535 178.924 177.300 0.148 0.000 1.163 280 P CA 1.334 64.509 63.100 0.125 0.000 0.894 280 P CB -0.072 31.806 31.700 0.296 0.000 0.791 281 I N -2.774 117.926 120.570 0.217 0.000 2.163 281 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 281 I C 2.184 178.479 176.117 0.297 0.000 1.085 281 I CA 1.556 63.004 61.300 0.246 0.000 1.347 281 I CB -0.765 37.341 38.000 0.178 0.000 1.044 281 I HN -0.139 nan 8.210 nan 0.000 0.408 282 F N 1.276 121.237 119.950 0.020 0.000 2.171 282 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 282 F C 2.692 178.526 175.800 0.056 0.000 1.090 282 F CA 1.358 59.360 58.000 0.003 0.000 1.293 282 F CB -0.540 38.423 39.000 -0.061 0.000 1.013 282 F HN -0.080 nan 8.300 nan 0.000 0.486 283 R N -0.082 120.532 120.500 0.189 0.000 2.070 283 R HA -0.144 4.195 4.340 -0.000 0.000 0.233 283 R C 2.257 178.582 176.300 0.041 0.000 1.137 283 R CA 1.470 57.621 56.100 0.086 0.000 0.945 283 R CB -0.897 29.423 30.300 0.033 0.000 0.845 283 R HN 0.279 nan 8.270 nan 0.000 0.430 284 L N -0.179 121.050 121.223 0.011 0.000 2.043 284 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 284 L C 2.264 179.065 176.870 -0.116 0.000 1.075 284 L CA 1.532 56.314 54.840 -0.097 0.000 0.752 284 L CB -0.451 41.496 42.059 -0.186 0.000 0.891 284 L HN 0.117 nan 8.230 nan 0.000 0.432 285 F N -0.269 119.587 119.950 -0.156 0.000 2.031 285 F HA -0.269 4.258 4.527 -0.000 0.000 0.295 285 F C 2.643 178.361 175.800 -0.137 0.000 1.133 285 F CA 1.942 59.842 58.000 -0.166 0.000 1.188 285 F CB -0.950 37.909 39.000 -0.235 0.000 0.974 285 F HN -0.028 nan 8.300 nan 0.000 0.473 286 T N 0.369 114.980 114.554 0.095 0.000 2.450 286 T HA -0.394 3.955 4.350 -0.000 0.000 0.250 286 T C 2.103 176.789 174.700 -0.024 0.000 1.264 286 T CA 2.029 64.148 62.100 0.031 0.000 1.191 286 T CB -1.107 67.785 68.868 0.040 0.000 0.862 286 T HN 0.360 nan 8.240 nan 0.000 0.411 287 A N 1.230 124.029 122.820 -0.036 0.000 1.870 287 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 287 A C 2.343 179.848 177.584 -0.131 0.000 1.224 287 A CA 2.402 54.401 52.037 -0.063 0.000 0.650 287 A CB -1.201 17.759 19.000 -0.066 0.000 0.836 287 A HN 0.629 nan 8.150 nan 0.000 0.454 288 I N -0.965 119.493 120.570 -0.188 0.000 2.335 288 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 288 I C 1.605 177.443 176.117 -0.465 0.000 1.129 288 I CA 1.049 62.170 61.300 -0.297 0.000 1.402 288 I CB -0.330 37.494 38.000 -0.293 0.000 1.069 288 I HN 0.309 nan 8.210 nan 0.000 0.424 289 M N 0.017 119.423 119.600 -0.324 0.000 2.493 289 M HA 0.099 4.578 4.480 -0.000 0.000 0.244 289 M C 0.203 176.377 176.300 -0.211 0.000 1.182 289 M CA 0.732 55.840 55.300 -0.320 0.000 0.981 289 M CB -0.814 31.725 32.600 -0.102 0.000 1.551 289 M HN 0.164 nan 8.290 nan 0.000 0.476 290 N N -0.706 117.880 118.700 -0.189 0.000 2.118 290 N HA 0.215 4.955 4.740 -0.000 0.000 0.226 290 N C -0.301 175.335 175.510 0.210 0.000 1.305 290 N CA -0.067 53.024 53.050 0.068 0.000 0.890 290 N CB 0.342 38.857 38.487 0.046 0.000 1.118 290 N HN 0.071 nan 8.380 nan 0.000 0.511 291 F N 0.651 120.597 119.950 -0.006 0.000 3.105 291 F HA -0.308 4.219 4.527 -0.000 0.000 0.280 291 F C 0.028 175.822 175.800 -0.010 0.000 0.894 291 F CA 0.531 58.525 58.000 -0.010 0.000 0.992 291 F CB -1.731 37.265 39.000 -0.006 0.000 1.047 291 F HN -0.015 nan 8.300 nan 0.000 0.607 292 K N 1.193 121.652 120.400 0.098 0.000 2.146 292 K HA -0.019 4.300 4.320 -0.000 0.000 0.220 292 K C 1.294 177.920 176.600 0.043 0.000 1.227 292 K CA -0.000 56.325 56.287 0.063 0.000 1.185 292 K CB -0.056 32.463 32.500 0.031 0.000 1.333 292 K HN 0.428 nan 8.250 nan 0.000 0.242 293 K N 0.720 121.159 120.400 0.065 0.000 2.259 293 K HA -0.236 4.083 4.320 -0.000 0.000 0.206 293 K C 0.824 177.435 176.600 0.019 0.000 1.044 293 K CA 1.584 57.897 56.287 0.044 0.000 0.931 293 K CB 0.018 32.547 32.500 0.048 0.000 0.726 293 K HN 0.452 nan 8.250 nan 0.000 0.467 294 D N 0.266 120.675 120.400 0.015 0.000 2.249 294 D HA -0.076 4.564 4.640 -0.000 0.000 0.205 294 D C 1.581 177.878 176.300 -0.005 0.000 0.962 294 D CA 0.950 54.953 54.000 0.005 0.000 0.860 294 D CB 0.161 40.965 40.800 0.006 0.000 0.955 294 D HN 0.432 nan 8.370 nan 0.000 0.505 295 E N 0.757 120.953 120.200 -0.008 0.000 2.079 295 E HA 0.039 4.388 4.350 -0.000 0.000 0.191 295 E C 2.417 178.998 176.600 -0.033 0.000 0.961 295 E CA -0.079 56.309 56.400 -0.019 0.000 0.823 295 E CB 0.210 29.899 29.700 -0.018 0.000 0.789 295 E HN 0.123 nan 8.360 nan 0.000 0.459 296 I N 2.720 123.266 120.570 -0.039 0.000 2.151 296 I HA -0.333 3.837 4.170 -0.000 0.000 0.236 296 I C -0.386 175.696 176.117 -0.058 0.000 1.000 296 I CA 1.914 63.178 61.300 -0.059 0.000 1.285 296 I CB -1.907 36.058 38.000 -0.058 0.000 0.994 296 I HN 0.161 nan 8.210 nan 0.000 0.396 297 P HA -0.162 nan 4.420 nan 0.000 0.215 297 P C 1.941 179.216 177.300 -0.040 0.000 1.163 297 P CA 1.965 65.043 63.100 -0.037 0.000 0.894 297 P CB -0.176 31.510 31.700 -0.022 0.000 0.791 298 V N 0.358 120.251 119.914 -0.034 0.000 2.295 298 V HA -0.216 3.903 4.120 -0.000 0.000 0.246 298 V C 2.808 178.874 176.094 -0.045 0.000 1.049 298 V CA 1.732 64.013 62.300 -0.033 0.000 1.024 298 V CB -1.483 30.325 31.823 -0.025 0.000 0.648 298 V HN 0.015 nan 8.190 nan 0.000 0.447 299 L N -0.508 120.682 121.223 -0.055 0.000 2.081 299 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 299 L C 2.138 178.944 176.870 -0.106 0.000 1.080 299 L CA 1.928 56.723 54.840 -0.075 0.000 0.754 299 L CB -0.658 41.350 42.059 -0.084 0.000 0.893 299 L HN 0.188 nan 8.230 nan 0.000 0.433 300 L N -0.431 120.729 121.223 -0.105 0.000 2.056 300 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 300 L C 2.596 179.414 176.870 -0.088 0.000 1.078 300 L CA 1.906 56.673 54.840 -0.122 0.000 0.749 300 L CB -0.803 41.196 42.059 -0.099 0.000 0.901 300 L HN 0.443 nan 8.230 nan 0.000 0.433 301 E N -0.495 119.671 120.200 -0.058 0.000 2.153 301 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 301 E C 2.056 178.637 176.600 -0.031 0.000 0.988 301 E CA 1.053 57.431 56.400 -0.037 0.000 0.811 301 E CB 0.142 29.826 29.700 -0.026 0.000 0.746 301 E HN 0.420 nan 8.360 nan 0.000 0.466 302 K N 0.036 120.413 120.400 -0.037 0.000 2.025 302 K HA -0.083 4.236 4.320 -0.000 0.000 0.207 302 K C 2.080 178.675 176.600 -0.009 0.000 1.049 302 K CA 1.154 57.429 56.287 -0.019 0.000 0.933 302 K CB -0.048 32.439 32.500 -0.022 0.000 0.714 302 K HN 0.221 nan 8.250 nan 0.000 0.438 303 L N 0.773 121.965 121.223 -0.052 0.000 2.554 303 L HA 0.025 4.365 4.340 -0.000 0.000 0.226 303 L C -0.200 176.661 176.870 -0.016 0.000 1.137 303 L CA 0.323 55.135 54.840 -0.047 0.000 0.863 303 L CB -0.347 41.548 42.059 -0.274 0.000 0.985 303 L HN 0.260 nan 8.230 nan 0.000 0.451 304 E N 0.395 120.578 120.200 -0.029 0.000 2.442 304 E HA -0.180 4.170 4.350 -0.000 0.000 0.256 304 E C -0.378 176.217 176.600 -0.009 0.000 1.095 304 E CA -0.040 56.355 56.400 -0.008 0.000 0.747 304 E CB -1.051 28.661 29.700 0.019 0.000 1.310 304 E HN 0.223 nan 8.360 nan 0.000 0.396 305 I N 1.965 122.505 120.570 -0.050 0.000 2.269 305 I HA 0.090 4.259 4.170 -0.000 0.000 0.293 305 I C 0.872 176.972 176.117 -0.030 0.000 1.106 305 I CA -0.426 60.849 61.300 -0.042 0.000 1.248 305 I CB 0.153 38.087 38.000 -0.109 0.000 1.444 305 I HN -0.002 nan 8.210 nan 0.000 0.497 306 V N 6.248 126.158 119.914 -0.007 0.000 2.389 306 V HA 0.419 4.539 4.120 -0.000 0.000 0.264 306 V C 0.285 176.377 176.094 -0.004 0.000 1.049 306 V CA -0.669 61.627 62.300 -0.007 0.000 0.932 306 V CB 0.584 32.408 31.823 0.001 0.000 1.011 306 V HN 0.401 nan 8.190 nan 0.000 0.475 307 L N 4.621 125.838 121.223 -0.010 0.000 2.439 307 L HA 0.536 4.876 4.340 -0.000 0.000 0.261 307 L C 0.569 177.438 176.870 -0.001 0.000 1.153 307 L CA -0.471 54.365 54.840 -0.007 0.000 0.808 307 L CB 0.766 42.817 42.059 -0.013 0.000 1.126 307 L HN 0.548 nan 8.230 nan 0.000 0.460 308 K N 1.314 121.715 120.400 0.002 0.000 2.235 308 K HA 0.275 4.595 4.320 -0.000 0.000 0.266 308 K C 0.757 177.359 176.600 0.003 0.000 0.980 308 K CA 0.099 56.388 56.287 0.004 0.000 0.849 308 K CB 1.638 34.142 32.500 0.007 0.000 1.098 308 K HN 0.788 nan 8.250 nan 0.000 0.445 309 G N 4.454 113.256 108.800 0.003 0.000 3.575 309 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.292 309 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.292 309 G C 1.003 175.905 174.900 0.004 0.000 1.114 309 G CA 1.547 46.649 45.100 0.003 0.000 1.087 309 G HN 0.746 nan 8.290 nan 0.000 1.261 310 D N 0.926 121.329 120.400 0.005 0.000 2.127 310 D HA -0.128 4.511 4.640 -0.000 0.000 0.190 310 D C 2.329 178.632 176.300 0.005 0.000 1.000 310 D CA 1.747 55.751 54.000 0.006 0.000 0.839 310 D CB -0.580 40.224 40.800 0.007 0.000 0.955 310 D HN 0.755 nan 8.370 nan 0.000 0.446 311 E N 0.961 121.164 120.200 0.004 0.000 2.147 311 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 311 E C 2.015 178.615 176.600 -0.001 0.000 1.005 311 E CA 0.878 57.279 56.400 0.001 0.000 0.810 311 E CB -0.154 29.546 29.700 -0.000 0.000 0.736 311 E HN 0.346 nan 8.360 nan 0.000 0.460 312 K N 0.721 121.120 120.400 -0.001 0.000 2.173 312 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 312 K C 1.732 178.335 176.600 0.005 0.000 1.046 312 K CA 1.919 58.205 56.287 -0.001 0.000 0.929 312 K CB -0.225 32.275 32.500 -0.000 0.000 0.720 312 K HN 0.346 nan 8.250 nan 0.000 0.453 313 D N 0.458 120.864 120.400 0.010 0.000 2.144 313 D HA -0.066 4.574 4.640 -0.000 0.000 0.207 313 D C 0.573 176.891 176.300 0.031 0.000 0.970 313 D CA 0.073 54.085 54.000 0.020 0.000 0.853 313 D CB -0.590 40.221 40.800 0.018 0.000 1.007 313 D HN -0.018 nan 8.370 nan 0.000 0.469 314 L N 0.984 122.221 121.223 0.023 0.000 2.749 314 L HA -0.092 4.247 4.340 -0.000 0.000 0.313 314 L C 0.272 177.166 176.870 0.039 0.000 1.251 314 L CA 0.978 55.835 54.840 0.027 0.000 0.867 314 L CB -0.247 41.816 42.059 0.007 0.000 1.122 314 L HN 0.258 nan 8.230 nan 0.000 0.513 315 E N 0.757 121.003 120.200 0.077 0.000 2.393 315 E HA 0.590 4.940 4.350 -0.000 0.000 0.273 315 E C 0.290 176.909 176.600 0.030 0.000 0.918 315 E CA -0.258 56.209 56.400 0.113 0.000 0.773 315 E CB 2.032 31.970 29.700 0.396 0.000 1.275 315 E HN 0.753 nan 8.360 nan 0.000 0.451 316 G N 1.746 110.334 108.800 -0.354 0.000 2.552 316 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.265 316 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.265 316 G C 0.696 175.485 174.900 -0.186 0.000 1.234 316 G CA 0.483 45.321 45.100 -0.436 0.000 0.944 316 G HN 0.595 nan 8.290 nan 0.000 0.568 317 K N 0.084 120.434 120.400 -0.082 0.000 2.052 317 K HA -0.187 4.132 4.320 -0.000 0.000 0.215 317 K C 3.100 179.661 176.600 -0.065 0.000 1.053 317 K CA 2.459 58.721 56.287 -0.042 0.000 0.934 317 K CB -0.547 31.954 32.500 0.001 0.000 0.717 317 K HN 0.869 nan 8.250 nan 0.000 0.450 318 A N 1.472 124.270 122.820 -0.037 0.000 1.917 318 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 318 A C 2.143 179.702 177.584 -0.042 0.000 1.182 318 A CA 1.534 53.552 52.037 -0.032 0.000 0.633 318 A CB -0.566 18.434 19.000 0.000 0.000 0.819 318 A HN 0.278 nan 8.150 nan 0.000 0.448 319 L N -0.999 120.188 121.223 -0.059 0.000 1.988 319 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 319 L C 2.240 179.054 176.870 -0.093 0.000 1.071 319 L CA 2.046 56.842 54.840 -0.073 0.000 0.744 319 L CB -0.788 41.211 42.059 -0.100 0.000 0.893 319 L HN 0.308 nan 8.230 nan 0.000 0.433 320 L N 0.375 121.516 121.223 -0.138 0.000 1.991 320 L HA -0.310 4.030 4.340 -0.000 0.000 0.221 320 L C 2.471 179.310 176.870 -0.052 0.000 1.079 320 L CA 2.089 56.825 54.840 -0.173 0.000 0.778 320 L CB -0.831 41.098 42.059 -0.216 0.000 0.893 320 L HN 0.327 nan 8.230 nan 0.000 0.437 321 K N -1.510 118.881 120.400 -0.014 0.000 2.520 321 K HA -0.113 4.206 4.320 -0.000 0.000 0.197 321 K C 1.558 178.184 176.600 0.043 0.000 1.044 321 K CA 1.026 57.326 56.287 0.021 0.000 0.938 321 K CB -0.086 32.364 32.500 -0.083 0.000 0.767 321 K HN 0.327 nan 8.250 nan 0.000 0.481 322 V N -0.774 119.145 119.914 0.009 0.000 3.455 322 V HA -0.060 4.060 4.120 -0.000 0.000 0.250 322 V C 1.783 177.887 176.094 0.017 0.000 1.230 322 V CA 0.401 62.711 62.300 0.017 0.000 1.105 322 V CB 0.807 32.629 31.823 -0.002 0.000 0.850 322 V HN -0.031 nan 8.190 nan 0.000 0.461 323 V N -0.208 119.695 119.914 -0.019 0.000 2.346 323 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 323 V C 2.544 178.660 176.094 0.037 0.000 1.037 323 V CA 1.599 63.877 62.300 -0.036 0.000 1.029 323 V CB -0.501 31.246 31.823 -0.128 0.000 0.663 323 V HN 0.359 nan 8.190 nan 0.000 0.454 324 M N -0.148 119.477 119.600 0.041 0.000 2.108 324 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 324 M C 2.327 178.780 176.300 0.256 0.000 1.066 324 M CA 1.710 57.094 55.300 0.141 0.000 1.107 324 M CB -1.246 31.387 32.600 0.055 0.000 1.356 324 M HN 0.294 nan 8.290 nan 0.000 0.406 325 R N 0.270 120.897 120.500 0.212 0.000 2.091 325 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 325 R C 2.258 178.651 176.300 0.156 0.000 1.136 325 R CA 1.349 57.563 56.100 0.190 0.000 0.959 325 R CB -0.231 30.149 30.300 0.134 0.000 0.856 325 R HN 0.452 nan 8.270 nan 0.000 0.437 326 K N -0.548 119.935 120.400 0.137 0.000 2.116 326 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 326 K C 1.882 178.588 176.600 0.176 0.000 1.052 326 K CA 0.854 57.214 56.287 0.121 0.000 0.952 326 K CB -0.177 32.373 32.500 0.085 0.000 0.729 326 K HN 0.030 nan 8.250 nan 0.000 0.446 327 F N 1.357 121.312 119.950 0.008 0.000 2.075 327 F HA -0.023 4.503 4.527 -0.000 0.000 0.297 327 F C 0.651 176.453 175.800 0.004 0.000 1.113 327 F CA 1.207 59.198 58.000 -0.016 0.000 1.218 327 F CB 0.171 39.148 39.000 -0.038 0.000 0.984 327 F HN -0.173 nan 8.300 nan 0.000 0.472 328 L N 0.912 122.161 121.223 0.043 0.000 2.475 328 L HA 0.302 4.642 4.340 -0.000 0.000 0.253 328 L C -2.574 174.399 176.870 0.172 0.000 1.483 328 L CA -1.824 53.010 54.840 -0.010 0.000 0.869 328 L CB 0.939 43.001 42.059 0.005 0.000 1.086 328 L HN -0.207 nan 8.230 nan 0.000 0.514 329 P HA -0.093 nan 4.420 nan 0.000 0.251 329 P C 1.064 178.435 177.300 0.119 0.000 1.154 329 P CA 0.445 63.618 63.100 0.122 0.000 0.805 329 P CB 1.001 32.745 31.700 0.074 0.000 0.759 330 A N 5.606 128.511 122.820 0.142 0.000 1.896 330 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 330 A C 2.193 179.799 177.584 0.037 0.000 1.206 330 A CA 2.567 54.654 52.037 0.084 0.000 0.647 330 A CB -1.523 17.501 19.000 0.041 0.000 0.828 330 A HN 0.492 nan 8.150 nan 0.000 0.455 331 A N -0.006 122.835 122.820 0.034 0.000 1.851 331 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 331 A C 1.686 179.276 177.584 0.011 0.000 1.195 331 A CA 2.221 54.268 52.037 0.016 0.000 0.622 331 A CB -1.204 17.810 19.000 0.024 0.000 0.831 331 A HN 0.550 nan 8.150 nan 0.000 0.444 332 D N -0.093 120.320 120.400 0.021 0.000 2.218 332 D HA -0.182 4.457 4.640 -0.000 0.000 0.194 332 D C 2.056 178.358 176.300 0.002 0.000 1.007 332 D CA 1.960 55.966 54.000 0.011 0.000 0.879 332 D CB -0.161 40.648 40.800 0.013 0.000 0.918 332 D HN 0.524 nan 8.370 nan 0.000 0.449 333 A N 0.149 122.977 122.820 0.014 0.000 1.873 333 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 333 A C 2.191 179.758 177.584 -0.028 0.000 1.186 333 A CA 0.803 52.845 52.037 0.008 0.000 0.616 333 A CB -0.671 18.347 19.000 0.031 0.000 0.823 333 A HN 0.176 nan 8.150 nan 0.000 0.442 334 L N -0.504 120.695 121.223 -0.040 0.000 1.989 334 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 334 L C 2.673 179.512 176.870 -0.052 0.000 1.071 334 L CA 1.376 56.181 54.840 -0.059 0.000 0.749 334 L CB -0.911 41.115 42.059 -0.055 0.000 0.890 334 L HN 0.384 nan 8.230 nan 0.000 0.431 335 L N -0.166 121.033 121.223 -0.041 0.000 1.978 335 L HA -0.304 4.036 4.340 -0.000 0.000 0.218 335 L C 2.666 179.490 176.870 -0.077 0.000 1.075 335 L CA 1.665 56.473 54.840 -0.053 0.000 0.767 335 L CB -0.616 41.420 42.059 -0.039 0.000 0.890 335 L HN 0.383 nan 8.230 nan 0.000 0.434 336 E N 0.048 120.212 120.200 -0.061 0.000 2.082 336 E HA -0.326 4.024 4.350 -0.000 0.000 0.215 336 E C 2.302 178.860 176.600 -0.069 0.000 1.048 336 E CA 2.273 58.633 56.400 -0.067 0.000 0.869 336 E CB -0.133 29.553 29.700 -0.024 0.000 0.773 336 E HN 0.360 nan 8.360 nan 0.000 0.466 337 M N 0.055 119.640 119.600 -0.024 0.000 2.073 337 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 337 M C 2.540 178.830 176.300 -0.017 0.000 1.070 337 M CA 1.601 56.918 55.300 0.029 0.000 1.103 337 M CB -0.647 31.936 32.600 -0.028 0.000 1.321 337 M HN 0.274 nan 8.290 nan 0.000 0.405 338 I N -0.288 120.244 120.570 -0.063 0.000 2.091 338 I HA -0.328 3.841 4.170 -0.000 0.000 0.239 338 I C 2.435 178.463 176.117 -0.149 0.000 1.061 338 I CA 1.520 62.772 61.300 -0.081 0.000 1.317 338 I CB -0.565 37.389 38.000 -0.075 0.000 1.031 338 I HN 0.091 nan 8.210 nan 0.000 0.401 339 V N 1.197 120.967 119.914 -0.239 0.000 2.214 339 V HA -0.307 3.813 4.120 -0.000 0.000 0.244 339 V C 2.224 178.070 176.094 -0.413 0.000 1.045 339 V CA 2.090 64.120 62.300 -0.450 0.000 0.993 339 V CB -0.623 30.838 31.823 -0.603 0.000 0.633 339 V HN 0.375 nan 8.190 nan 0.000 0.449 340 L N -0.526 120.468 121.223 -0.382 0.000 2.551 340 L HA -0.151 4.189 4.340 -0.000 0.000 0.230 340 L C 1.962 178.409 176.870 -0.704 0.000 1.163 340 L CA 1.112 55.660 54.840 -0.487 0.000 0.826 340 L CB -0.618 41.147 42.059 -0.490 0.000 0.943 340 L HN 0.569 nan 8.230 nan 0.000 0.452 341 H N -2.344 116.657 119.070 -0.116 0.000 3.329 341 H HA 0.308 4.863 4.556 -0.000 0.000 0.234 341 H C 0.752 176.041 175.328 -0.065 0.000 0.957 341 H CA -0.346 55.654 56.048 -0.080 0.000 1.066 341 H CB 0.723 30.436 29.762 -0.081 0.000 1.435 341 H HN 0.089 nan 8.280 nan 0.000 0.513 342 L N 4.812 126.049 121.223 0.023 0.000 2.439 342 L HA 0.170 4.510 4.340 -0.000 0.000 0.269 342 L C -1.918 174.954 176.870 0.003 0.000 1.179 342 L CA -1.531 53.316 54.840 0.011 0.000 0.828 342 L CB 0.533 42.585 42.059 -0.013 0.000 1.106 342 L HN -0.065 nan 8.230 nan 0.000 0.467 343 P HA 0.086 nan 4.420 nan 0.000 0.275 343 P C -0.804 176.502 177.300 0.010 0.000 1.227 343 P CA -0.422 62.701 63.100 0.039 0.000 0.781 343 P CB 1.295 33.052 31.700 0.096 0.000 0.906 344 S N 2.492 118.194 115.700 0.003 0.000 2.672 344 S HA 0.382 4.852 4.470 -0.000 0.000 0.276 344 S C -1.809 172.772 174.600 -0.031 0.000 1.207 344 S CA -1.383 56.816 58.200 -0.002 0.000 1.002 344 S CB 0.409 63.621 63.200 0.019 0.000 0.998 344 S HN 0.199 nan 8.310 nan 0.000 0.542 345 P HA -0.143 nan 4.420 nan 0.000 0.215 345 P C 1.621 178.875 177.300 -0.076 0.000 1.163 345 P CA 1.115 64.171 63.100 -0.073 0.000 0.894 345 P CB -0.314 31.333 31.700 -0.088 0.000 0.791 346 V N -0.772 119.110 119.914 -0.053 0.000 2.370 346 V HA -0.307 3.813 4.120 -0.000 0.000 0.252 346 V C 2.219 178.273 176.094 -0.066 0.000 1.068 346 V CA 2.704 64.975 62.300 -0.048 0.000 1.061 346 V CB -1.977 29.831 31.823 -0.025 0.000 0.656 346 V HN 0.240 nan 8.190 nan 0.000 0.455 347 T N -0.064 114.449 114.554 -0.068 0.000 2.770 347 T HA 0.050 4.400 4.350 -0.000 0.000 0.258 347 T C 2.108 176.643 174.700 -0.276 0.000 1.039 347 T CA 1.356 63.411 62.100 -0.075 0.000 1.143 347 T CB -0.356 68.514 68.868 0.004 0.000 0.866 347 T HN 0.566 nan 8.240 nan 0.000 0.428 348 A N 1.819 124.423 122.820 -0.360 0.000 1.858 348 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 348 A C 2.283 179.386 177.584 -0.802 0.000 1.190 348 A CA 1.385 52.931 52.037 -0.818 0.000 0.617 348 A CB -0.801 18.008 19.000 -0.319 0.000 0.827 348 A HN 0.508 nan 8.150 nan 0.000 0.443 349 Q N -0.516 119.091 119.800 -0.322 0.000 2.217 349 Q HA -0.256 4.084 4.340 -0.000 0.000 0.209 349 Q C 2.328 178.216 176.000 -0.187 0.000 0.988 349 Q CA 1.451 57.162 55.803 -0.153 0.000 0.878 349 Q CB -0.521 28.208 28.738 -0.015 0.000 0.909 349 Q HN 0.707 nan 8.270 nan 0.000 0.424 350 A N 1.106 123.787 122.820 -0.232 0.000 1.940 350 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 350 A C 1.673 179.222 177.584 -0.057 0.000 1.176 350 A CA 1.741 53.708 52.037 -0.116 0.000 0.631 350 A CB -0.641 18.322 19.000 -0.062 0.000 0.814 350 A HN 0.634 nan 8.150 nan 0.000 0.446 351 Y N -3.693 116.611 120.300 0.008 0.000 2.467 351 Y HA 0.549 5.098 4.550 -0.001 0.000 0.250 351 Y C 1.757 177.654 175.900 -0.005 0.000 1.155 351 Y CA -0.054 58.045 58.100 -0.001 0.000 1.249 351 Y CB -0.147 38.312 38.460 -0.002 0.000 1.146 351 Y HN 0.095 nan 8.280 nan 0.000 0.524 352 R N 0.433 120.901 120.500 -0.053 0.000 2.237 352 R HA 0.304 4.644 4.340 -0.000 0.000 0.195 352 R C 2.283 178.559 176.300 -0.041 0.000 0.956 352 R CA 0.779 56.887 56.100 0.013 0.000 1.029 352 R CB -0.034 30.238 30.300 -0.047 0.000 0.972 352 R HN 0.390 nan 8.270 nan 0.000 0.493 353 A N 1.564 124.348 122.820 -0.060 0.000 1.869 353 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 353 A C 1.765 179.328 177.584 -0.036 0.000 1.203 353 A CA 1.839 53.829 52.037 -0.078 0.000 0.638 353 A CB -0.545 18.417 19.000 -0.064 0.000 0.831 353 A HN 0.394 nan 8.150 nan 0.000 0.450 354 E N -0.581 119.621 120.200 0.003 0.000 2.048 354 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 354 E C 2.331 178.935 176.600 0.006 0.000 1.021 354 E CA 1.698 58.114 56.400 0.028 0.000 0.825 354 E CB -0.365 29.349 29.700 0.024 0.000 0.756 354 E HN 0.750 nan 8.360 nan 0.000 0.454 355 Q N 0.377 120.168 119.800 -0.015 0.000 2.062 355 Q HA -0.217 4.122 4.340 -0.000 0.000 0.209 355 Q C 2.447 178.402 176.000 -0.075 0.000 0.996 355 Q CA 1.547 57.327 55.803 -0.038 0.000 0.859 355 Q CB -0.326 28.393 28.738 -0.031 0.000 0.920 355 Q HN 0.339 nan 8.270 nan 0.000 0.415 356 L N -0.868 120.281 121.223 -0.123 0.000 2.201 356 L HA -0.106 4.233 4.340 -0.000 0.000 0.212 356 L C 0.911 177.709 176.870 -0.119 0.000 1.105 356 L CA 0.259 54.967 54.840 -0.219 0.000 0.775 356 L CB -0.223 41.571 42.059 -0.441 0.000 0.913 356 L HN 0.208 nan 8.230 nan 0.000 0.440 357 Y N 1.114 121.305 120.300 -0.183 0.000 2.327 357 Y HA 0.095 4.645 4.550 -0.000 0.000 0.336 357 Y C 1.248 177.095 175.900 -0.089 0.000 1.035 357 Y CA -0.838 57.188 58.100 -0.124 0.000 1.165 357 Y CB 0.627 39.025 38.460 -0.104 0.000 1.181 357 Y HN 0.020 nan 8.280 nan 0.000 0.494 358 E N 3.089 122.951 120.200 -0.563 0.000 2.435 358 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 358 E C 0.836 176.981 176.600 -0.758 0.000 1.029 358 E CA 0.351 56.461 56.400 -0.483 0.000 0.865 358 E CB 0.329 29.883 29.700 -0.242 0.000 0.833 358 E HN 0.894 nan 8.360 nan 0.000 0.510 359 G N 1.863 109.724 108.800 -1.566 0.000 2.531 359 G HA2 0.280 4.240 3.960 -0.000 0.000 0.281 359 G HA3 0.280 4.240 3.960 -0.000 0.000 0.281 359 G C -2.560 172.058 174.900 -0.471 0.000 1.382 359 G CA -1.060 43.258 45.100 -1.302 0.000 1.045 359 G HN -0.116 nan 8.290 nan 0.000 0.533 360 P HA 0.238 nan 4.420 nan 0.000 0.269 360 P C 0.334 177.721 177.300 0.144 0.000 1.209 360 P CA 0.290 63.395 63.100 0.007 0.000 0.776 360 P CB 1.158 32.875 31.700 0.028 0.000 0.876 361 A N 2.270 125.136 122.820 0.076 0.000 2.167 361 A HA -0.087 4.232 4.320 -0.000 0.000 0.214 361 A C 1.102 178.712 177.584 0.043 0.000 1.151 361 A CA 1.335 53.417 52.037 0.075 0.000 0.735 361 A CB -0.938 18.084 19.000 0.038 0.000 0.802 361 A HN 0.662 nan 8.150 nan 0.000 0.467 362 D N -1.236 119.189 120.400 0.041 0.000 2.369 362 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 362 D C 0.487 176.803 176.300 0.028 0.000 1.077 362 D CA -0.368 53.646 54.000 0.023 0.000 0.842 362 D CB -0.078 40.734 40.800 0.020 0.000 0.947 362 D HN 0.322 nan 8.370 nan 0.000 0.509 363 D N 0.277 120.709 120.400 0.055 0.000 2.364 363 D HA 0.049 4.689 4.640 -0.000 0.000 0.236 363 D C 1.229 177.521 176.300 -0.012 0.000 1.221 363 D CA 0.374 54.413 54.000 0.065 0.000 0.891 363 D CB 1.286 42.196 40.800 0.183 0.000 1.190 363 D HN 0.125 nan 8.370 nan 0.000 0.449 364 A N 3.096 125.910 122.820 -0.010 0.000 1.897 364 A HA -0.175 4.144 4.320 -0.000 0.000 0.215 364 A C 1.909 179.431 177.584 -0.102 0.000 1.181 364 A CA 1.475 53.489 52.037 -0.039 0.000 0.620 364 A CB -0.560 18.432 19.000 -0.013 0.000 0.821 364 A HN 0.737 nan 8.150 nan 0.000 0.443 365 N N -0.438 118.166 118.700 -0.159 0.000 2.084 365 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 365 N C 1.724 176.974 175.510 -0.433 0.000 1.030 365 N CA 1.507 54.390 53.050 -0.277 0.000 0.849 365 N CB -0.717 37.577 38.487 -0.321 0.000 1.012 365 N HN 0.560 nan 8.380 nan 0.000 0.423 366 C N 0.943 119.862 119.300 -0.634 0.000 2.393 366 C HA -0.092 4.367 4.460 -0.000 0.000 0.276 366 C C 2.430 177.292 174.990 -0.214 0.000 1.215 366 C CA 0.563 59.286 59.018 -0.492 0.000 1.743 366 C CB -1.264 26.320 27.740 -0.260 0.000 2.044 366 C HN 0.372 nan 8.230 nan 0.000 0.464 367 I N 1.640 122.126 120.570 -0.141 0.000 2.151 367 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 367 I C 2.928 178.999 176.117 -0.076 0.000 1.080 367 I CA 2.161 63.413 61.300 -0.079 0.000 1.339 367 I CB -1.791 36.177 38.000 -0.053 0.000 1.039 367 I HN 0.467 nan 8.210 nan 0.000 0.409 368 A N 1.349 124.114 122.820 -0.090 0.000 1.948 368 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 368 A C 2.242 179.795 177.584 -0.052 0.000 1.177 368 A CA 1.537 53.535 52.037 -0.065 0.000 0.636 368 A CB -0.579 18.380 19.000 -0.068 0.000 0.815 368 A HN 0.332 nan 8.150 nan 0.000 0.449 369 I N -0.100 120.423 120.570 -0.078 0.000 2.113 369 I HA -0.235 3.934 4.170 -0.000 0.000 0.238 369 I C 2.241 178.347 176.117 -0.019 0.000 1.070 369 I CA 1.753 63.036 61.300 -0.028 0.000 1.332 369 I CB -1.484 36.464 38.000 -0.086 0.000 1.044 369 I HN 0.368 nan 8.210 nan 0.000 0.402 370 K N 0.846 121.218 120.400 -0.047 0.000 2.144 370 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 370 K C 1.424 178.004 176.600 -0.034 0.000 1.047 370 K CA 1.547 57.810 56.287 -0.041 0.000 0.927 370 K CB -0.275 32.204 32.500 -0.035 0.000 0.716 370 K HN 0.424 nan 8.250 nan 0.000 0.454 371 N N -0.033 118.650 118.700 -0.029 0.000 2.280 371 N HA -0.014 4.725 4.740 -0.000 0.000 0.192 371 N C 0.100 175.597 175.510 -0.022 0.000 1.109 371 N CA 0.237 53.272 53.050 -0.025 0.000 0.855 371 N CB 0.151 38.624 38.487 -0.023 0.000 0.974 371 N HN 0.143 nan 8.380 nan 0.000 0.482 372 C N 2.424 121.715 119.300 -0.016 0.000 4.167 372 C HA -0.195 4.265 4.460 -0.000 0.000 0.302 372 C C 0.009 174.987 174.990 -0.019 0.000 1.384 372 C CA -0.436 58.575 59.018 -0.013 0.000 2.041 372 C CB -2.325 25.399 27.740 -0.027 0.000 1.303 372 C HN 0.330 nan 8.230 nan 0.000 0.718 373 D N 1.442 121.831 120.400 -0.018 0.000 2.338 373 D HA 0.204 4.844 4.640 -0.000 0.000 0.255 373 D C -0.294 175.995 176.300 -0.019 0.000 1.237 373 D CA -1.636 52.352 54.000 -0.020 0.000 0.883 373 D CB 1.020 41.807 40.800 -0.021 0.000 1.087 373 D HN 0.420 nan 8.370 nan 0.000 0.485 374 P HA -0.030 nan 4.420 nan 0.000 0.236 374 P C 0.576 177.863 177.300 -0.020 0.000 1.177 374 P CA 0.501 63.587 63.100 -0.023 0.000 0.773 374 P CB 0.494 32.177 31.700 -0.027 0.000 0.878 375 K N -0.595 119.794 120.400 -0.019 0.000 2.404 375 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 375 K C 1.228 177.819 176.600 -0.016 0.000 1.023 375 K CA -0.194 56.082 56.287 -0.017 0.000 1.094 375 K CB 0.385 32.875 32.500 -0.016 0.000 0.841 375 K HN 0.086 nan 8.250 nan 0.000 0.523 376 A N 1.308 124.118 122.820 -0.017 0.000 2.250 376 A HA 0.151 4.471 4.320 -0.000 0.000 0.283 376 A C -0.280 177.296 177.584 -0.015 0.000 1.206 376 A CA -0.480 51.547 52.037 -0.017 0.000 0.840 376 A CB 0.240 19.226 19.000 -0.023 0.000 1.220 376 A HN 0.040 nan 8.150 nan 0.000 0.505 377 D N -0.043 120.348 120.400 -0.015 0.000 2.414 377 D HA 0.265 4.905 4.640 -0.000 0.000 0.242 377 D C -0.007 176.289 176.300 -0.006 0.000 1.129 377 D CA 0.086 54.080 54.000 -0.010 0.000 0.885 377 D CB 0.576 41.371 40.800 -0.008 0.000 1.198 377 D HN 0.332 nan 8.370 nan 0.000 0.437 378 L N 3.209 124.430 121.223 -0.002 0.000 2.559 378 L HA 0.035 4.375 4.340 -0.000 0.000 0.274 378 L C -0.503 176.383 176.870 0.026 0.000 1.205 378 L CA 0.669 55.514 54.840 0.008 0.000 0.907 378 L CB 0.009 42.069 42.059 0.002 0.000 1.153 378 L HN 0.233 nan 8.230 nan 0.000 0.490 379 M N 7.843 127.474 119.600 0.052 0.000 2.007 379 M HA 0.359 4.839 4.480 -0.000 0.000 0.285 379 M C -1.210 175.188 176.300 0.163 0.000 0.893 379 M CA -0.188 55.168 55.300 0.093 0.000 0.925 379 M CB 1.033 33.676 32.600 0.071 0.000 1.568 379 M HN 0.589 nan 8.290 nan 0.000 0.414 380 L N 3.141 124.455 121.223 0.153 0.000 2.362 380 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 380 L C -1.722 175.294 176.870 0.243 0.000 0.998 380 L CA -0.757 54.190 54.840 0.178 0.000 0.820 380 L CB 2.115 44.216 42.059 0.071 0.000 1.270 380 L HN 0.593 nan 8.230 nan 0.000 0.415 381 Y N 5.119 125.526 120.300 0.179 0.000 2.385 381 Y HA 0.492 5.042 4.550 -0.001 0.000 0.341 381 Y C -0.811 175.135 175.900 0.077 0.000 0.965 381 Y CA -0.626 57.567 58.100 0.155 0.000 1.180 381 Y CB 1.272 39.896 38.460 0.273 0.000 1.139 381 Y HN 0.295 nan 8.280 nan 0.000 0.502 382 V N 6.772 126.484 119.914 -0.335 0.000 2.385 382 V HA 0.117 4.237 4.120 -0.000 0.000 0.269 382 V C 0.710 176.469 176.094 -0.559 0.000 1.043 382 V CA 0.569 62.686 62.300 -0.306 0.000 0.906 382 V CB 0.796 32.527 31.823 -0.154 0.000 0.995 382 V HN 0.948 nan 8.190 nan 0.000 0.467 383 S N 3.572 119.064 115.700 -0.347 0.000 2.503 383 S HA 0.231 4.701 4.470 -0.000 0.000 0.215 383 S C 0.375 174.988 174.600 0.020 0.000 1.003 383 S CA -0.093 57.998 58.200 -0.182 0.000 0.910 383 S CB 0.050 63.338 63.200 0.147 0.000 0.790 383 S HN 0.871 nan 8.310 nan 0.000 0.514 384 K N -0.455 119.977 120.400 0.053 0.000 2.685 384 K HA 0.479 4.798 4.320 -0.000 0.000 0.290 384 K C -1.659 174.961 176.600 0.032 0.000 1.018 384 K CA -0.949 55.345 56.287 0.012 0.000 0.860 384 K CB 0.525 33.051 32.500 0.044 0.000 1.498 384 K HN -0.061 nan 8.250 nan 0.000 0.390 385 M N 2.494 122.053 119.600 -0.068 0.000 2.167 385 M HA 0.298 4.778 4.480 -0.000 0.000 0.333 385 M C -0.782 175.543 176.300 0.040 0.000 1.030 385 M CA -0.935 54.351 55.300 -0.024 0.000 0.963 385 M CB 1.276 33.747 32.600 -0.215 0.000 1.589 385 M HN 0.630 nan 8.290 nan 0.000 0.431 386 V N 5.315 125.324 119.914 0.158 0.000 2.427 386 V HA 0.649 4.768 4.120 -0.000 0.000 0.286 386 V C -2.569 173.661 176.094 0.227 0.000 1.034 386 V CA -1.977 60.407 62.300 0.140 0.000 0.893 386 V CB 1.714 33.555 31.823 0.030 0.000 0.982 386 V HN 0.589 nan 8.190 nan 0.000 0.452 387 P HA 0.302 nan 4.420 nan 0.000 0.268 387 P C -0.290 176.866 177.300 -0.241 0.000 1.204 387 P CA 0.280 63.331 63.100 -0.082 0.000 0.768 387 P CB 0.668 32.369 31.700 0.002 0.000 0.842 388 T N -1.900 112.401 114.554 -0.421 0.000 2.807 388 T HA 0.442 4.792 4.350 -0.000 0.000 0.277 388 T C 0.950 175.470 174.700 -0.299 0.000 1.006 388 T CA -0.095 61.762 62.100 -0.406 0.000 1.006 388 T CB 0.930 69.366 68.868 -0.720 0.000 1.274 388 T HN 0.235 nan 8.240 nan 0.000 0.569 389 S N -1.297 114.271 115.700 -0.218 0.000 2.524 389 S HA 0.127 4.597 4.470 -0.000 0.000 0.215 389 S C 0.658 175.188 174.600 -0.117 0.000 0.986 389 S CA 0.214 58.334 58.200 -0.134 0.000 0.911 389 S CB -0.489 62.671 63.200 -0.067 0.000 0.805 389 S HN 0.774 nan 8.310 nan 0.000 0.501 390 D N 2.824 123.137 120.400 -0.145 0.000 2.745 390 D HA 0.211 4.851 4.640 -0.000 0.000 0.229 390 D C 0.386 176.631 176.300 -0.092 0.000 1.088 390 D CA 0.264 54.223 54.000 -0.069 0.000 1.054 390 D CB -0.577 40.230 40.800 0.010 0.000 1.132 390 D HN 0.090 nan 8.370 nan 0.000 0.464 391 K N 0.155 120.497 120.400 -0.098 0.000 3.846 391 K HA -0.139 4.180 4.320 -0.000 0.000 0.381 391 K C 0.908 177.405 176.600 -0.171 0.000 1.736 391 K CA 1.144 57.370 56.287 -0.102 0.000 0.710 391 K CB -1.816 30.643 32.500 -0.068 0.000 1.070 391 K HN 0.308 nan 8.250 nan 0.000 0.593 392 G N 2.387 111.082 108.800 -0.175 0.000 3.591 392 G HA2 0.159 4.119 3.960 -0.000 0.000 0.282 392 G HA3 0.159 4.119 3.960 -0.000 0.000 0.282 392 G C 0.170 174.839 174.900 -0.385 0.000 1.238 392 G CA -0.199 44.738 45.100 -0.271 0.000 0.993 392 G HN 0.067 nan 8.290 nan 0.000 0.542 393 R N -0.112 120.183 120.500 -0.342 0.000 2.560 393 R HA 0.490 4.830 4.340 -0.000 0.000 0.270 393 R C -1.221 174.777 176.300 -0.502 0.000 1.074 393 R CA -0.565 55.371 56.100 -0.272 0.000 1.140 393 R CB 0.693 30.949 30.300 -0.074 0.000 1.073 393 R HN 0.087 nan 8.270 nan 0.000 0.527 394 F N 1.311 121.227 119.950 -0.058 0.000 2.507 394 F HA 0.309 4.836 4.527 -0.000 0.000 0.328 394 F C -0.294 175.576 175.800 0.116 0.000 1.136 394 F CA -0.874 57.093 58.000 -0.056 0.000 0.930 394 F CB 0.948 39.924 39.000 -0.040 0.000 1.166 394 F HN 0.223 nan 8.300 nan 0.000 0.436 395 Y N 1.515 121.915 120.300 0.167 0.000 2.307 395 Y HA 0.631 5.180 4.550 -0.000 0.000 0.324 395 Y C 0.449 176.428 175.900 0.132 0.000 1.238 395 Y CA -2.104 56.069 58.100 0.121 0.000 1.280 395 Y CB 0.859 39.377 38.460 0.096 0.000 1.248 395 Y HN 0.603 nan 8.280 nan 0.000 0.508 396 A N 3.284 126.262 122.820 0.263 0.000 2.289 396 A HA 0.489 4.809 4.320 -0.000 0.000 0.298 396 A C -1.214 176.491 177.584 0.203 0.000 1.208 396 A CA -0.356 51.783 52.037 0.171 0.000 0.845 396 A CB -0.283 18.767 19.000 0.084 0.000 1.125 396 A HN 0.551 nan 8.150 nan 0.000 0.517 397 F N 2.655 122.632 119.950 0.044 0.000 2.421 397 F HA 0.710 5.237 4.527 -0.001 0.000 0.337 397 F C 0.487 176.300 175.800 0.021 0.000 1.105 397 F CA 0.510 58.534 58.000 0.041 0.000 1.049 397 F CB 1.561 40.587 39.000 0.044 0.000 1.139 397 F HN 0.881 nan 8.300 nan 0.000 0.479 398 G N 4.818 113.128 108.800 -0.818 0.000 2.428 398 G HA2 0.434 4.393 3.960 -0.000 0.000 0.305 398 G HA3 0.434 4.393 3.960 -0.000 0.000 0.305 398 G C -2.071 172.535 174.900 -0.490 0.000 1.260 398 G CA -1.164 43.606 45.100 -0.550 0.000 0.853 398 G HN 0.803 nan 8.290 nan 0.000 0.480 399 R N -0.759 119.631 120.500 -0.184 0.000 2.744 399 R HA 0.647 4.986 4.340 -0.000 0.000 0.279 399 R C -1.469 174.724 176.300 -0.179 0.000 0.977 399 R CA -0.574 55.374 56.100 -0.253 0.000 0.906 399 R CB 2.293 32.361 30.300 -0.388 0.000 1.197 399 R HN 0.403 nan 8.270 nan 0.000 0.463 400 V N 5.629 125.397 119.914 -0.243 0.000 2.334 400 V HA 0.246 4.365 4.120 -0.000 0.000 0.267 400 V C 0.160 176.131 176.094 -0.205 0.000 1.040 400 V CA -0.111 62.114 62.300 -0.126 0.000 0.866 400 V CB 0.786 32.551 31.823 -0.096 0.000 1.019 400 V HN 0.778 nan 8.190 nan 0.000 0.468 401 F N 2.723 122.664 119.950 -0.014 0.000 2.664 401 F HA 0.532 5.058 4.527 -0.000 0.000 0.296 401 F C 1.207 176.979 175.800 -0.046 0.000 1.125 401 F CA 0.759 58.740 58.000 -0.033 0.000 1.444 401 F CB 0.402 39.384 39.000 -0.031 0.000 1.114 401 F HN 0.584 nan 8.300 nan 0.000 0.576 402 A N -1.035 121.851 122.820 0.111 0.000 2.604 402 A HA 0.616 4.935 4.320 -0.000 0.000 0.295 402 A C 0.240 177.833 177.584 0.015 0.000 1.067 402 A CA -0.306 51.756 52.037 0.042 0.000 0.683 402 A CB 0.287 19.302 19.000 0.024 0.000 1.281 402 A HN 0.602 nan 8.150 nan 0.000 0.407 403 G N 0.035 108.832 108.800 -0.004 0.000 2.641 403 G HA2 0.346 4.306 3.960 -0.000 0.000 0.254 403 G HA3 0.346 4.306 3.960 -0.000 0.000 0.254 403 G C 0.296 175.187 174.900 -0.016 0.000 1.315 403 G CA 0.700 45.793 45.100 -0.010 0.000 0.907 403 G HN 2.806 nan 8.290 nan 0.000 0.572 404 T N -3.592 110.952 114.554 -0.017 0.000 2.900 404 T HA 0.687 5.037 4.350 -0.000 0.000 0.295 404 T C -0.428 174.259 174.700 -0.020 0.000 1.044 404 T CA 0.098 62.184 62.100 -0.023 0.000 0.995 404 T CB 1.996 70.848 68.868 -0.025 0.000 1.072 404 T HN 2.043 nan 8.240 nan 0.000 0.473 405 V N 2.900 122.800 119.914 -0.024 0.000 2.547 405 V HA 0.840 4.960 4.120 -0.000 0.000 0.299 405 V C -1.022 175.057 176.094 -0.025 0.000 1.040 405 V CA -0.617 61.669 62.300 -0.023 0.000 0.913 405 V CB 1.230 33.038 31.823 -0.024 0.000 0.992 405 V HN 1.159 nan 8.190 nan 0.000 0.449 406 K N 3.399 123.784 120.400 -0.024 0.000 2.532 406 K HA 0.536 4.856 4.320 -0.000 0.000 0.265 406 K C -0.818 175.767 176.600 -0.024 0.000 0.948 406 K CA -0.688 55.585 56.287 -0.024 0.000 0.842 406 K CB 1.751 34.238 32.500 -0.021 0.000 1.392 406 K HN 0.425 nan 8.250 nan 0.000 0.436 407 S N 0.525 116.211 115.700 -0.024 0.000 2.544 407 S HA 0.268 4.738 4.470 -0.000 0.000 0.290 407 S C 1.202 175.790 174.600 -0.019 0.000 1.276 407 S CA 1.005 59.190 58.200 -0.024 0.000 1.075 407 S CB 0.120 63.306 63.200 -0.025 0.000 0.849 407 S HN 1.008 nan 8.310 nan 0.000 0.494 408 G N 2.291 111.081 108.800 -0.017 0.000 2.176 408 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 408 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 408 G C 0.061 174.952 174.900 -0.014 0.000 0.979 408 G CA 0.273 45.366 45.100 -0.012 0.000 0.641 408 G HN 0.748 nan 8.290 nan 0.000 0.530 409 Q N 0.764 120.553 119.800 -0.018 0.000 2.330 409 Q HA 0.302 4.641 4.340 -0.000 0.000 0.279 409 Q C 0.536 176.521 176.000 -0.025 0.000 1.024 409 Q CA 0.019 55.809 55.803 -0.020 0.000 0.900 409 Q CB 0.343 29.068 28.738 -0.021 0.000 1.221 409 Q HN 0.387 nan 8.270 nan 0.000 0.396 410 K N 3.193 123.578 120.400 -0.026 0.000 2.378 410 K HA 0.224 4.544 4.320 -0.000 0.000 0.288 410 K C -1.428 175.148 176.600 -0.040 0.000 1.057 410 K CA -0.263 56.003 56.287 -0.034 0.000 0.971 410 K CB 0.544 33.027 32.500 -0.028 0.000 0.975 410 K HN 0.429 nan 8.250 nan 0.000 0.475 411 V N 5.146 125.027 119.914 -0.056 0.000 2.735 411 V HA 0.353 4.473 4.120 -0.000 0.000 0.310 411 V C -0.464 175.583 176.094 -0.078 0.000 1.061 411 V CA -0.992 61.273 62.300 -0.059 0.000 0.913 411 V CB 2.040 33.831 31.823 -0.053 0.000 1.005 411 V HN 0.766 nan 8.190 nan 0.000 0.428 412 R N 4.069 124.524 120.500 -0.076 0.000 2.220 412 R HA 0.490 4.829 4.340 -0.000 0.000 0.340 412 R C -0.721 175.514 176.300 -0.109 0.000 1.076 412 R CA -0.171 55.868 56.100 -0.102 0.000 0.920 412 R CB 0.525 30.751 30.300 -0.124 0.000 1.062 412 R HN 0.550 nan 8.270 nan 0.000 0.469 413 I N 4.271 124.797 120.570 -0.074 0.000 2.291 413 I HA 0.049 4.218 4.170 -0.000 0.000 0.292 413 I C 0.240 176.360 176.117 0.006 0.000 1.064 413 I CA -0.025 61.260 61.300 -0.025 0.000 1.269 413 I CB 0.777 38.769 38.000 -0.014 0.000 1.418 413 I HN 0.356 nan 8.210 nan 0.000 0.485 414 Q N 5.472 125.210 119.800 -0.105 0.000 2.331 414 Q HA 0.410 4.749 4.340 -0.000 0.000 0.257 414 Q C 0.505 176.545 176.000 0.067 0.000 0.957 414 Q CA -0.543 55.154 55.803 -0.176 0.000 0.923 414 Q CB 1.939 30.356 28.738 -0.535 0.000 1.212 414 Q HN 0.778 nan 8.270 nan 0.000 0.443 415 G N 2.658 111.586 108.800 0.212 0.000 2.588 415 G HA2 0.124 4.083 3.960 -0.000 0.000 0.278 415 G HA3 0.124 4.083 3.960 -0.000 0.000 0.278 415 G C -1.767 173.259 174.900 0.209 0.000 1.307 415 G CA -1.094 44.136 45.100 0.216 0.000 1.016 415 G HN 0.379 nan 8.290 nan 0.000 0.503 416 P HA -0.038 nan 4.420 nan 0.000 0.220 416 P C 0.858 178.251 177.300 0.156 0.000 1.148 416 P CA 0.866 64.058 63.100 0.155 0.000 0.803 416 P CB 0.236 32.017 31.700 0.135 0.000 0.782 417 N N -1.829 116.974 118.700 0.173 0.000 2.321 417 N HA 0.045 4.785 4.740 -0.000 0.000 0.242 417 N C -0.403 175.193 175.510 0.143 0.000 1.141 417 N CA -0.235 52.899 53.050 0.139 0.000 0.864 417 N CB -0.099 38.463 38.487 0.125 0.000 1.100 417 N HN 0.247 nan 8.380 nan 0.000 0.510 418 Y N 0.826 121.170 120.300 0.072 0.000 2.310 418 Y HA 0.409 4.959 4.550 -0.000 0.000 0.326 418 Y C -0.385 175.531 175.900 0.026 0.000 1.151 418 Y CA -0.408 57.721 58.100 0.049 0.000 1.195 418 Y CB 0.926 39.422 38.460 0.061 0.000 1.210 418 Y HN -0.238 nan 8.280 nan 0.000 0.483 419 V N 7.951 127.273 119.914 -0.986 0.000 2.888 419 V HA 0.242 4.361 4.120 -0.000 0.000 0.309 419 V C -2.051 173.439 176.094 -1.007 0.000 1.114 419 V CA -1.689 60.213 62.300 -0.662 0.000 0.940 419 V CB 1.943 33.578 31.823 -0.314 0.000 1.021 419 V HN 0.663 nan 8.190 nan 0.000 0.426 420 P HA -0.146 nan 4.420 nan 0.000 0.215 420 P C 1.616 178.759 177.300 -0.262 0.000 1.157 420 P CA 2.014 64.892 63.100 -0.369 0.000 0.874 420 P CB 0.185 31.665 31.700 -0.368 0.000 0.790 421 G N 0.053 108.723 108.800 -0.216 0.000 2.514 421 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 421 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 421 G C 0.737 175.555 174.900 -0.136 0.000 1.198 421 G CA 0.927 45.945 45.100 -0.137 0.000 0.780 421 G HN 0.302 nan 8.290 nan 0.000 0.565 422 K N -0.914 119.376 120.400 -0.184 0.000 2.318 422 K HA 0.368 4.688 4.320 -0.000 0.000 0.243 422 K C 0.692 177.213 176.600 -0.131 0.000 1.047 422 K CA -0.635 55.568 56.287 -0.140 0.000 0.937 422 K CB 0.577 33.002 32.500 -0.125 0.000 1.225 422 K HN -0.151 nan 8.250 nan 0.000 0.506 423 K N 1.177 121.535 120.400 -0.070 0.000 2.387 423 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 423 K C -0.819 175.766 176.600 -0.025 0.000 1.030 423 K CA 0.189 56.461 56.287 -0.026 0.000 1.099 423 K CB 0.293 32.773 32.500 -0.032 0.000 0.863 423 K HN 0.556 nan 8.250 nan 0.000 0.529 424 D N 1.940 122.322 120.400 -0.031 0.000 2.389 424 D HA -0.037 4.602 4.640 -0.000 0.000 0.247 424 D C 0.194 176.538 176.300 0.073 0.000 1.128 424 D CA 0.409 54.410 54.000 0.001 0.000 0.884 424 D CB 0.696 41.502 40.800 0.010 0.000 1.194 424 D HN 0.076 nan 8.370 nan 0.000 0.441 425 D N 0.780 121.220 120.400 0.067 0.000 2.689 425 D HA -0.207 4.433 4.640 -0.000 0.000 0.237 425 D C -1.110 175.328 176.300 0.229 0.000 1.148 425 D CA 0.410 54.533 54.000 0.204 0.000 0.656 425 D CB -0.755 40.213 40.800 0.280 0.000 1.050 425 D HN 0.215 nan 8.370 nan 0.000 0.426 426 L N 0.578 121.727 121.223 -0.123 0.000 2.386 426 L HA 0.719 5.058 4.340 -0.000 0.000 0.271 426 L C -1.387 175.179 176.870 -0.506 0.000 0.993 426 L CA -0.594 54.195 54.840 -0.084 0.000 0.819 426 L CB 1.558 43.651 42.059 0.056 0.000 1.294 426 L HN -0.027 nan 8.230 nan 0.000 0.414 427 F N 5.821 125.721 119.950 -0.084 0.000 2.671 427 F HA 0.474 5.000 4.527 -0.001 0.000 0.332 427 F C -0.290 175.350 175.800 -0.266 0.000 1.189 427 F CA -0.496 57.391 58.000 -0.188 0.000 0.988 427 F CB 1.419 40.241 39.000 -0.296 0.000 1.258 427 F HN 0.210 nan 8.300 nan 0.000 0.471 428 I N 5.315 125.829 120.570 -0.093 0.000 2.276 428 I HA 0.282 4.451 4.170 -0.000 0.000 0.290 428 I C -0.165 175.865 176.117 -0.145 0.000 1.109 428 I CA -0.306 60.930 61.300 -0.106 0.000 1.229 428 I CB -0.003 37.953 38.000 -0.073 0.000 1.452 428 I HN 0.444 nan 8.210 nan 0.000 0.497 429 K N 3.903 124.173 120.400 -0.217 0.000 2.261 429 K HA 0.825 5.144 4.320 -0.000 0.000 0.242 429 K C -0.695 175.834 176.600 -0.119 0.000 1.083 429 K CA -0.956 55.197 56.287 -0.223 0.000 0.880 429 K CB 2.010 34.197 32.500 -0.522 0.000 1.353 429 K HN 0.393 nan 8.250 nan 0.000 0.486 430 A N 1.073 123.858 122.820 -0.059 0.000 2.304 430 A HA 0.554 4.874 4.320 -0.000 0.000 0.323 430 A C -0.130 177.454 177.584 -0.001 0.000 1.195 430 A CA -0.698 51.325 52.037 -0.023 0.000 0.826 430 A CB -0.010 18.987 19.000 -0.004 0.000 1.184 430 A HN 0.610 nan 8.150 nan 0.000 0.496 431 I N 3.523 124.087 120.570 -0.010 0.000 2.483 431 I HA -0.048 4.122 4.170 -0.000 0.000 0.291 431 I C 1.589 177.703 176.117 -0.006 0.000 1.112 431 I CA 0.052 61.350 61.300 -0.004 0.000 1.350 431 I CB 0.588 38.577 38.000 -0.018 0.000 1.419 431 I HN 0.892 nan 8.210 nan 0.000 0.523 432 Q N 3.953 123.756 119.800 0.005 0.000 1.998 432 Q HA -0.191 4.148 4.340 -0.000 0.000 0.209 432 Q C 0.756 176.734 176.000 -0.036 0.000 1.002 432 Q CA 1.752 57.550 55.803 -0.008 0.000 0.858 432 Q CB 0.094 28.828 28.738 -0.006 0.000 0.932 432 Q HN 0.473 nan 8.270 nan 0.000 0.416 433 R N -1.015 119.441 120.500 -0.072 0.000 2.626 433 R HA 0.378 4.718 4.340 -0.000 0.000 0.274 433 R C -1.938 174.300 176.300 -0.104 0.000 1.031 433 R CA -0.358 55.690 56.100 -0.086 0.000 0.898 433 R CB 1.973 32.209 30.300 -0.106 0.000 1.222 433 R HN -0.082 nan 8.270 nan 0.000 0.455 434 V N 4.706 124.577 119.914 -0.072 0.000 2.439 434 V HA 0.688 4.807 4.120 -0.000 0.000 0.282 434 V C -0.382 175.678 176.094 -0.056 0.000 1.039 434 V CA -0.284 61.979 62.300 -0.061 0.000 0.913 434 V CB 1.461 33.261 31.823 -0.040 0.000 0.983 434 V HN 0.639 nan 8.190 nan 0.000 0.460 435 V N 3.680 123.565 119.914 -0.048 0.000 3.087 435 V HA 0.646 4.766 4.120 -0.000 0.000 0.306 435 V C -0.810 175.308 176.094 0.040 0.000 1.187 435 V CA -1.042 61.251 62.300 -0.013 0.000 0.999 435 V CB 2.020 33.820 31.823 -0.040 0.000 1.049 435 V HN 0.608 nan 8.190 nan 0.000 0.431 436 L N 3.470 124.731 121.223 0.064 0.000 2.395 436 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 436 L C 0.215 177.167 176.870 0.137 0.000 1.133 436 L CA -0.381 54.515 54.840 0.094 0.000 0.812 436 L CB 1.173 43.285 42.059 0.089 0.000 1.125 436 L HN 0.588 nan 8.230 nan 0.000 0.452 437 M N 4.297 123.993 119.600 0.160 0.000 2.986 437 M HA 0.271 4.751 4.480 -0.000 0.000 0.241 437 M C -0.703 175.667 176.300 0.117 0.000 1.191 437 M CA -0.228 55.170 55.300 0.163 0.000 1.143 437 M CB 0.722 33.459 32.600 0.228 0.000 1.242 437 M HN 0.496 nan 8.290 nan 0.000 0.543 438 M N 1.688 121.359 119.600 0.118 0.000 3.254 438 M HA 0.274 4.754 4.480 -0.000 0.000 0.257 438 M C 1.217 177.527 176.300 0.017 0.000 1.490 438 M CA 0.333 55.697 55.300 0.107 0.000 1.620 438 M CB -1.565 31.139 32.600 0.174 0.000 1.157 438 M HN 0.861 nan 8.290 nan 0.000 0.541 439 G N 3.179 111.953 108.800 -0.044 0.000 2.557 439 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.292 439 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.292 439 G C 0.815 175.552 174.900 -0.270 0.000 1.162 439 G CA 0.007 45.011 45.100 -0.161 0.000 0.964 439 G HN 0.621 nan 8.290 nan 0.000 0.541 440 R N 0.103 120.256 120.500 -0.578 0.000 2.334 440 R HA 0.346 4.685 4.340 -0.000 0.000 0.216 440 R C -0.214 175.746 176.300 -0.565 0.000 0.905 440 R CA 0.190 55.925 56.100 -0.609 0.000 1.064 440 R CB 0.144 30.026 30.300 -0.697 0.000 1.046 440 R HN 0.229 nan 8.270 nan 0.000 0.508 441 F N 0.354 120.323 119.950 0.031 0.000 2.522 441 F HA 0.355 4.881 4.527 -0.000 0.000 0.324 441 F C 0.435 176.278 175.800 0.072 0.000 1.077 441 F CA -2.012 56.014 58.000 0.044 0.000 0.944 441 F CB 1.143 40.165 39.000 0.036 0.000 1.175 441 F HN -0.337 nan 8.300 nan 0.000 0.468 442 V N -0.584 119.501 119.914 0.286 0.000 2.732 442 V HA 0.892 5.011 4.120 -0.000 0.000 0.310 442 V C -1.040 175.154 176.094 0.168 0.000 1.053 442 V CA -0.664 61.769 62.300 0.221 0.000 0.957 442 V CB 1.808 33.794 31.823 0.272 0.000 1.018 442 V HN 0.786 nan 8.190 nan 0.000 0.452 443 E N 3.577 123.851 120.200 0.122 0.000 2.432 443 E HA 0.569 4.919 4.350 -0.000 0.000 0.272 443 E C -3.004 173.625 176.600 0.050 0.000 0.937 443 E CA -1.962 54.487 56.400 0.083 0.000 0.812 443 E CB 2.105 31.857 29.700 0.086 0.000 1.377 443 E HN 0.645 nan 8.360 nan 0.000 0.399 444 P HA 0.202 nan 4.420 nan 0.000 0.268 444 P C -0.658 176.644 177.300 0.004 0.000 1.208 444 P CA 0.043 63.145 63.100 0.003 0.000 0.777 444 P CB 0.530 32.228 31.700 -0.004 0.000 0.875 445 I N 0.669 121.235 120.570 -0.008 0.000 2.787 445 I HA 0.152 4.322 4.170 -0.000 0.000 0.294 445 I C 0.351 176.458 176.117 -0.017 0.000 1.365 445 I CA -0.628 60.666 61.300 -0.008 0.000 1.029 445 I CB 2.124 40.121 38.000 -0.004 0.000 1.313 445 I HN 0.201 nan 8.210 nan 0.000 0.431 446 D N 3.497 123.887 120.400 -0.017 0.000 2.104 446 D HA -0.107 4.532 4.640 -0.000 0.000 0.194 446 D C -0.233 176.054 176.300 -0.022 0.000 0.994 446 D CA 1.928 55.916 54.000 -0.019 0.000 0.830 446 D CB 0.103 40.892 40.800 -0.018 0.000 0.959 446 D HN 0.752 nan 8.370 nan 0.000 0.452 447 D N -2.186 118.200 120.400 -0.023 0.000 2.677 447 D HA 0.344 4.984 4.640 -0.000 0.000 0.298 447 D C -1.241 175.042 176.300 -0.028 0.000 1.250 447 D CA -0.853 53.132 54.000 -0.025 0.000 0.888 447 D CB 1.642 42.427 40.800 -0.025 0.000 1.397 447 D HN 0.043 nan 8.370 nan 0.000 0.461 448 C N 1.146 120.427 119.300 -0.032 0.000 2.817 448 C HA 0.625 5.084 4.460 -0.000 0.000 0.385 448 C C -2.847 172.118 174.990 -0.042 0.000 1.050 448 C CA -0.814 58.182 59.018 -0.037 0.000 1.245 448 C CB 1.111 28.827 27.740 -0.039 0.000 1.706 448 C HN 0.576 nan 8.230 nan 0.000 0.488 449 P HA 0.368 nan 4.420 nan 0.000 0.276 449 P C -0.246 177.018 177.300 -0.060 0.000 1.261 449 P CA 0.068 63.141 63.100 -0.046 0.000 0.800 449 P CB 0.816 32.491 31.700 -0.042 0.000 1.066 450 A N 0.252 123.038 122.820 -0.055 0.000 2.565 450 A HA 0.362 4.682 4.320 -0.000 0.000 0.237 450 A C 1.448 178.971 177.584 -0.102 0.000 1.053 450 A CA 1.139 53.133 52.037 -0.071 0.000 0.755 450 A CB -1.638 17.338 19.000 -0.040 0.000 0.980 450 A HN 0.903 nan 8.150 nan 0.000 0.506 451 G N 1.976 110.673 108.800 -0.172 0.000 2.259 451 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 451 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 451 G C 0.096 174.882 174.900 -0.190 0.000 1.001 451 G CA 0.283 45.272 45.100 -0.185 0.000 0.627 451 G HN 0.931 nan 8.290 nan 0.000 0.501 452 N N 0.109 118.712 118.700 -0.163 0.000 2.489 452 N HA 0.696 5.435 4.740 -0.000 0.000 0.284 452 N C -0.315 175.096 175.510 -0.165 0.000 1.158 452 N CA -0.491 52.481 53.050 -0.130 0.000 0.965 452 N CB 1.257 39.695 38.487 -0.081 0.000 1.195 452 N HN 0.152 nan 8.380 nan 0.000 0.506 453 I N 1.383 121.879 120.570 -0.124 0.000 2.472 453 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 453 I C -0.245 175.806 176.117 -0.110 0.000 1.016 453 I CA -0.059 61.145 61.300 -0.160 0.000 1.348 453 I CB 0.529 38.494 38.000 -0.059 0.000 1.417 453 I HN 0.442 nan 8.210 nan 0.000 0.521 454 I N 3.400 123.868 120.570 -0.170 0.000 3.149 454 I HA 0.719 4.889 4.170 -0.000 0.000 0.310 454 I C -0.575 175.530 176.117 -0.021 0.000 1.343 454 I CA -0.265 60.999 61.300 -0.060 0.000 0.955 454 I CB 2.203 40.166 38.000 -0.062 0.000 1.309 454 I HN 0.513 nan 8.210 nan 0.000 0.478 455 G N 3.836 112.666 108.800 0.051 0.000 2.453 455 G HA2 0.725 4.685 3.960 -0.000 0.000 0.323 455 G HA3 0.725 4.685 3.960 -0.000 0.000 0.323 455 G C -1.859 173.045 174.900 0.006 0.000 1.198 455 G CA -0.577 44.582 45.100 0.098 0.000 0.959 455 G HN 0.561 nan 8.290 nan 0.000 0.482 456 L N 1.515 122.739 121.223 0.001 0.000 2.409 456 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 456 L C -0.445 176.347 176.870 -0.130 0.000 0.980 456 L CA -1.040 53.764 54.840 -0.060 0.000 0.826 456 L CB 2.241 44.292 42.059 -0.014 0.000 1.268 456 L HN 0.198 nan 8.230 nan 0.000 0.407 457 V N 1.401 121.162 119.914 -0.256 0.000 2.617 457 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 457 V C 0.880 176.940 176.094 -0.057 0.000 1.048 457 V CA 0.231 62.340 62.300 -0.319 0.000 0.964 457 V CB 1.444 32.962 31.823 -0.509 0.000 1.004 457 V HN 1.024 nan 8.190 nan 0.000 0.466 458 G N 3.927 112.756 108.800 0.048 0.000 2.291 458 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.271 458 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.271 458 G C 0.043 175.044 174.900 0.168 0.000 1.099 458 G CA 0.121 45.280 45.100 0.098 0.000 0.919 458 G HN 0.521 nan 8.290 nan 0.000 0.496 459 I N -0.780 119.882 120.570 0.153 0.000 4.655 459 I HA 0.110 4.280 4.170 -0.000 0.000 0.333 459 I C 1.775 177.933 176.117 0.069 0.000 1.312 459 I CA 0.584 62.008 61.300 0.206 0.000 1.270 459 I CB -0.059 38.020 38.000 0.131 0.000 1.318 459 I HN 0.106 nan 8.210 nan 0.000 0.456 460 D N 2.328 122.750 120.400 0.037 0.000 2.157 460 D HA -0.250 4.390 4.640 -0.000 0.000 0.191 460 D C 1.888 178.087 176.300 -0.169 0.000 1.004 460 D CA 1.481 55.483 54.000 0.003 0.000 0.854 460 D CB -0.147 40.701 40.800 0.080 0.000 0.936 460 D HN 0.411 nan 8.370 nan 0.000 0.446 461 Q N -0.251 119.307 119.800 -0.403 0.000 2.253 461 Q HA 0.036 4.375 4.340 -0.000 0.000 0.210 461 Q C 0.145 175.549 176.000 -0.993 0.000 0.907 461 Q CA 0.356 55.767 55.803 -0.654 0.000 0.948 461 Q CB -0.104 28.185 28.738 -0.748 0.000 1.033 461 Q HN 0.347 nan 8.270 nan 0.000 0.471 462 F N -0.328 119.437 119.950 -0.309 0.000 2.856 462 F HA 0.401 4.928 4.527 -0.000 0.000 0.338 462 F C 0.335 175.801 175.800 -0.556 0.000 1.005 462 F CA -0.232 57.367 58.000 -0.669 0.000 1.155 462 F CB 0.967 39.618 39.000 -0.581 0.000 1.010 462 F HN -0.104 nan 8.300 nan 0.000 0.587 463 L N 0.458 121.594 121.223 -0.145 0.000 2.436 463 L HA 0.325 4.664 4.340 -0.000 0.000 0.268 463 L C 0.458 177.257 176.870 -0.118 0.000 0.974 463 L CA -0.606 54.173 54.840 -0.101 0.000 0.826 463 L CB 2.802 44.829 42.059 -0.053 0.000 1.291 463 L HN -0.063 nan 8.230 nan 0.000 0.406 464 L N 3.268 124.428 121.223 -0.106 0.000 2.007 464 L HA 0.002 4.341 4.340 -0.000 0.000 0.205 464 L C 1.705 178.441 176.870 -0.223 0.000 1.073 464 L CA 2.087 56.834 54.840 -0.155 0.000 0.744 464 L CB -0.150 41.846 42.059 -0.106 0.000 0.898 464 L HN 0.659 nan 8.230 nan 0.000 0.435 465 K N -2.725 117.566 120.400 -0.181 0.000 2.585 465 K HA 0.265 4.585 4.320 -0.000 0.000 0.198 465 K C -0.110 176.408 176.600 -0.136 0.000 1.403 465 K CA 0.491 56.628 56.287 -0.250 0.000 1.021 465 K CB 1.012 33.224 32.500 -0.480 0.000 1.558 465 K HN 0.201 nan 8.250 nan 0.000 0.524 466 T N -0.025 114.507 114.554 -0.036 0.000 2.916 466 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 466 T C -0.405 174.282 174.700 -0.022 0.000 1.064 466 T CA -0.613 61.463 62.100 -0.040 0.000 1.011 466 T CB 2.145 71.053 68.868 0.066 0.000 1.152 466 T HN 0.375 nan 8.240 nan 0.000 0.510 467 G N 0.211 108.969 108.800 -0.071 0.000 2.342 467 G HA2 0.534 4.494 3.960 -0.000 0.000 0.297 467 G HA3 0.534 4.494 3.960 -0.000 0.000 0.297 467 G C -1.671 173.230 174.900 0.002 0.000 1.313 467 G CA -0.689 44.412 45.100 0.002 0.000 0.830 467 G HN 0.744 nan 8.290 nan 0.000 0.506 468 T N 0.390 114.973 114.554 0.049 0.000 2.848 468 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 468 T C -1.048 173.665 174.700 0.023 0.000 0.995 468 T CA -0.405 61.744 62.100 0.082 0.000 0.970 468 T CB 1.747 70.692 68.868 0.129 0.000 0.976 468 T HN 0.366 nan 8.240 nan 0.000 0.441 469 L N 3.946 125.189 121.223 0.034 0.000 2.272 469 L HA 0.672 5.011 4.340 -0.000 0.000 0.289 469 L C 0.827 177.700 176.870 0.006 0.000 1.032 469 L CA 0.010 54.849 54.840 -0.002 0.000 0.810 469 L CB 1.288 43.347 42.059 -0.000 0.000 1.205 469 L HN 0.971 nan 8.230 nan 0.000 0.422 470 T N -1.798 112.738 114.554 -0.029 0.000 2.831 470 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 470 T C 0.346 175.029 174.700 -0.028 0.000 1.070 470 T CA -0.363 61.728 62.100 -0.015 0.000 1.010 470 T CB 1.837 70.699 68.868 -0.011 0.000 1.264 470 T HN 0.300 nan 8.240 nan 0.000 0.532 471 T N 0.044 114.589 114.554 -0.015 0.000 3.010 471 T HA 0.362 4.712 4.350 -0.000 0.000 0.253 471 T C 0.751 175.445 174.700 -0.009 0.000 0.939 471 T CA 0.189 62.279 62.100 -0.016 0.000 0.910 471 T CB 0.202 69.063 68.868 -0.012 0.000 1.226 471 T HN 0.757 nan 8.240 nan 0.000 0.508 472 S N 1.218 116.920 115.700 0.003 0.000 2.584 472 S HA 0.228 4.698 4.470 -0.000 0.000 0.273 472 S C 0.926 175.538 174.600 0.021 0.000 1.311 472 S CA -0.269 57.940 58.200 0.016 0.000 1.034 472 S CB 1.366 64.583 63.200 0.029 0.000 0.939 472 S HN 0.413 nan 8.310 nan 0.000 0.513 473 E N 1.993 122.209 120.200 0.026 0.000 2.385 473 E HA 0.023 4.372 4.350 -0.000 0.000 0.194 473 E C 0.847 177.482 176.600 0.058 0.000 1.013 473 E CA 0.517 56.940 56.400 0.037 0.000 0.866 473 E CB 0.135 29.852 29.700 0.028 0.000 0.832 473 E HN 0.746 nan 8.360 nan 0.000 0.500 474 T N 0.361 114.950 114.554 0.057 0.000 3.107 474 T HA 0.243 4.593 4.350 -0.000 0.000 0.249 474 T C 0.243 175.007 174.700 0.107 0.000 1.096 474 T CA 0.258 62.397 62.100 0.065 0.000 1.012 474 T CB 0.438 69.353 68.868 0.079 0.000 0.977 474 T HN 0.127 nan 8.240 nan 0.000 0.527 475 A N 1.652 124.548 122.820 0.127 0.000 2.409 475 A HA 0.456 4.775 4.320 -0.000 0.000 0.267 475 A C -0.206 177.521 177.584 0.240 0.000 1.127 475 A CA -0.273 51.901 52.037 0.228 0.000 0.795 475 A CB -0.011 19.082 19.000 0.155 0.000 1.061 475 A HN 0.445 nan 8.150 nan 0.000 0.502 476 H N 1.404 120.659 119.070 0.308 0.000 2.534 476 H HA 0.243 4.799 4.556 -0.001 0.000 0.364 476 H C 0.814 176.256 175.328 0.190 0.000 1.328 476 H CA -0.098 56.058 56.048 0.180 0.000 1.415 476 H CB 0.466 30.151 29.762 -0.128 0.000 1.573 476 H HN 0.714 nan 8.280 nan 0.000 0.601 477 N N 0.055 118.917 118.700 0.270 0.000 2.322 477 N HA 0.137 4.877 4.740 -0.000 0.000 0.270 477 N C -0.100 175.502 175.510 0.153 0.000 1.286 477 N CA 0.075 53.249 53.050 0.206 0.000 0.948 477 N CB 0.584 39.190 38.487 0.199 0.000 1.164 477 N HN 0.394 nan 8.380 nan 0.000 0.551 478 M N 0.204 119.907 119.600 0.171 0.000 2.706 478 M HA 0.247 4.727 4.480 -0.000 0.000 0.304 478 M C 0.324 176.665 176.300 0.069 0.000 1.217 478 M CA -0.767 54.594 55.300 0.102 0.000 0.922 478 M CB 1.205 33.857 32.600 0.087 0.000 1.637 478 M HN 0.262 nan 8.290 nan 0.000 0.492 479 K N 1.954 122.327 120.400 -0.045 0.000 2.437 479 K HA 0.089 4.409 4.320 -0.000 0.000 0.277 479 K C -0.274 176.396 176.600 0.116 0.000 1.073 479 K CA -0.281 55.997 56.287 -0.016 0.000 1.105 479 K CB -0.018 32.431 32.500 -0.085 0.000 0.881 479 K HN 0.500 nan 8.250 nan 0.000 0.475 480 V N 2.397 122.383 119.914 0.120 0.000 3.681 480 V HA 0.206 4.326 4.120 -0.000 0.000 0.298 480 V C 0.232 176.405 176.094 0.133 0.000 1.097 480 V CA -0.123 62.270 62.300 0.154 0.000 1.125 480 V CB 0.406 32.285 31.823 0.094 0.000 1.140 480 V HN 0.798 nan 8.190 nan 0.000 0.476 481 M N 0.867 120.527 119.600 0.099 0.000 2.213 481 M HA 0.389 4.869 4.480 -0.000 0.000 0.243 481 M C -1.081 175.140 176.300 -0.131 0.000 0.979 481 M CA -0.397 54.893 55.300 -0.017 0.000 1.037 481 M CB 1.800 34.476 32.600 0.127 0.000 2.200 481 M HN 0.685 nan 8.290 nan 0.000 0.465 482 K N 2.503 122.770 120.400 -0.223 0.000 2.378 482 K HA 0.514 4.834 4.320 -0.000 0.000 0.288 482 K C -1.172 175.196 176.600 -0.387 0.000 1.057 482 K CA 0.481 56.657 56.287 -0.184 0.000 0.971 482 K CB 0.526 32.956 32.500 -0.118 0.000 0.975 482 K HN 0.267 nan 8.250 nan 0.000 0.475 483 F N 0.167 120.111 119.950 -0.009 0.000 2.611 483 F HA 0.460 4.987 4.527 -0.001 0.000 0.324 483 F C 0.215 176.012 175.800 -0.005 0.000 1.061 483 F CA -0.826 57.152 58.000 -0.037 0.000 0.954 483 F CB 2.376 41.338 39.000 -0.063 0.000 1.301 483 F HN 0.330 nan 8.300 nan 0.000 0.482 484 S N 0.369 116.200 115.700 0.217 0.000 2.572 484 S HA 0.398 4.868 4.470 -0.000 0.000 0.274 484 S C -0.251 174.390 174.600 0.068 0.000 1.150 484 S CA -0.447 57.845 58.200 0.153 0.000 0.944 484 S CB 1.737 65.070 63.200 0.222 0.000 1.071 484 S HN 0.597 nan 8.310 nan 0.000 0.479 485 V N 4.094 124.026 119.914 0.031 0.000 3.406 485 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 485 V C 0.635 176.708 176.094 -0.035 0.000 1.172 485 V CA 0.819 63.106 62.300 -0.022 0.000 1.140 485 V CB -0.100 31.707 31.823 -0.026 0.000 0.784 485 V HN 0.869 nan 8.190 nan 0.000 0.467 486 S N 3.025 118.682 115.700 -0.071 0.000 2.575 486 S HA 0.109 4.579 4.470 -0.000 0.000 0.295 486 S C -2.227 172.292 174.600 -0.134 0.000 1.267 486 S CA -0.115 57.970 58.200 -0.190 0.000 1.074 486 S CB 0.684 63.552 63.200 -0.553 0.000 0.829 486 S HN 0.461 nan 8.310 nan 0.000 0.497 487 P HA 0.168 nan 4.420 nan 0.000 0.219 487 P C 0.871 178.145 177.300 -0.043 0.000 1.847 487 P CA -0.438 62.658 63.100 -0.006 0.000 1.059 487 P CB 0.035 31.763 31.700 0.047 0.000 1.900 488 V N 0.136 119.981 119.914 -0.116 0.000 3.078 488 V HA -0.022 4.098 4.120 -0.000 0.000 0.265 488 V C 0.607 176.667 176.094 -0.056 0.000 1.122 488 V CA 1.073 63.269 62.300 -0.173 0.000 1.141 488 V CB -0.537 31.100 31.823 -0.310 0.000 0.735 488 V HN 0.020 nan 8.190 nan 0.000 0.498 489 V N 1.700 121.634 119.914 0.034 0.000 2.876 489 V HA 0.685 4.805 4.120 -0.000 0.000 0.312 489 V C -0.613 175.537 176.094 0.092 0.000 1.085 489 V CA -0.339 62.024 62.300 0.105 0.000 0.945 489 V CB 1.828 33.761 31.823 0.184 0.000 1.017 489 V HN 0.791 nan 8.190 nan 0.000 0.428 490 Q N 2.403 122.256 119.800 0.089 0.000 2.472 490 Q HA 0.863 5.203 4.340 -0.000 0.000 0.281 490 Q C -1.716 174.300 176.000 0.027 0.000 0.997 490 Q CA -0.940 54.891 55.803 0.046 0.000 0.828 490 Q CB 2.589 31.354 28.738 0.044 0.000 1.443 490 Q HN 0.784 nan 8.270 nan 0.000 0.390 491 V N -2.084 117.824 119.914 -0.009 0.000 3.040 491 V HA 1.011 5.131 4.120 -0.000 0.000 0.312 491 V C -0.727 175.344 176.094 -0.037 0.000 1.115 491 V CA -0.560 61.730 62.300 -0.018 0.000 0.998 491 V CB 1.479 33.293 31.823 -0.015 0.000 1.042 491 V HN 1.078 nan 8.190 nan 0.000 0.433 492 A N 2.145 124.949 122.820 -0.027 0.000 2.301 492 A HA 0.901 5.220 4.320 -0.000 0.000 0.312 492 A C -0.476 177.108 177.584 -0.000 0.000 1.182 492 A CA -0.602 51.421 52.037 -0.022 0.000 0.826 492 A CB 1.234 20.224 19.000 -0.016 0.000 1.134 492 A HN 1.388 nan 8.150 nan 0.000 0.501 493 V N 2.026 121.958 119.914 0.030 0.000 2.914 493 V HA 0.694 4.813 4.120 -0.000 0.000 0.314 493 V C -0.497 175.658 176.094 0.102 0.000 1.084 493 V CA -0.674 61.649 62.300 0.038 0.000 0.963 493 V CB 1.958 33.782 31.823 0.002 0.000 1.025 493 V HN 0.997 nan 8.190 nan 0.000 0.432 494 E N 0.734 120.969 120.200 0.058 0.000 2.430 494 E HA 0.448 4.798 4.350 -0.000 0.000 0.279 494 E C -1.330 175.276 176.600 0.010 0.000 1.003 494 E CA -0.623 55.829 56.400 0.086 0.000 0.801 494 E CB 2.458 32.208 29.700 0.083 0.000 1.313 494 E HN 0.606 nan 8.360 nan 0.000 0.459 495 V N -0.786 119.130 119.914 0.002 0.000 2.607 495 V HA 0.357 4.477 4.120 -0.000 0.000 0.289 495 V C 1.064 177.155 176.094 -0.004 0.000 1.053 495 V CA -0.359 61.930 62.300 -0.019 0.000 0.996 495 V CB 1.198 33.005 31.823 -0.026 0.000 0.995 495 V HN 0.610 nan 8.190 nan 0.000 0.476 496 K N 2.136 122.529 120.400 -0.012 0.000 2.062 496 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 496 K C 0.696 177.292 176.600 -0.006 0.000 1.051 496 K CA 1.444 57.726 56.287 -0.007 0.000 0.941 496 K CB -0.027 32.466 32.500 -0.012 0.000 0.719 496 K HN 0.817 nan 8.250 nan 0.000 0.440 497 N N 0.261 118.954 118.700 -0.011 0.000 2.621 497 N HA 0.190 4.930 4.740 -0.000 0.000 0.237 497 N C 0.286 175.792 175.510 -0.006 0.000 0.997 497 N CA 0.042 53.087 53.050 -0.008 0.000 0.918 497 N CB 1.128 39.607 38.487 -0.012 0.000 1.122 497 N HN 0.094 nan 8.380 nan 0.000 0.510 498 A N 4.050 126.870 122.820 0.001 0.000 1.942 498 A HA -0.377 3.943 4.320 -0.000 0.000 0.227 498 A C 1.908 179.493 177.584 0.002 0.000 1.445 498 A CA 2.166 54.206 52.037 0.006 0.000 0.704 498 A CB -0.901 18.104 19.000 0.009 0.000 0.841 498 A HN 0.833 nan 8.150 nan 0.000 0.495 499 N N 0.344 119.044 118.700 -0.001 0.000 2.247 499 N HA -0.165 4.574 4.740 -0.000 0.000 0.189 499 N C 0.834 176.340 175.510 -0.007 0.000 1.009 499 N CA 1.647 54.695 53.050 -0.003 0.000 0.872 499 N CB -0.567 37.918 38.487 -0.004 0.000 0.980 499 N HN 0.622 nan 8.380 nan 0.000 0.436 500 D N 1.115 121.507 120.400 -0.013 0.000 2.317 500 D HA -0.040 4.599 4.640 -0.000 0.000 0.211 500 D C 2.059 178.341 176.300 -0.030 0.000 0.966 500 D CA -0.109 53.878 54.000 -0.022 0.000 0.876 500 D CB -0.069 40.713 40.800 -0.030 0.000 0.927 500 D HN 0.252 nan 8.370 nan 0.000 0.519 501 L N 1.320 122.530 121.223 -0.022 0.000 2.082 501 L HA -0.221 4.119 4.340 -0.000 0.000 0.223 501 L C -0.846 176.005 176.870 -0.032 0.000 1.086 501 L CA 2.088 56.912 54.840 -0.027 0.000 0.793 501 L CB -1.061 41.009 42.059 0.018 0.000 0.896 501 L HN 0.034 nan 8.230 nan 0.000 0.441 502 P HA -0.143 nan 4.420 nan 0.000 0.220 502 P C 1.002 178.290 177.300 -0.020 0.000 1.148 502 P CA 1.477 64.571 63.100 -0.010 0.000 0.803 502 P CB 0.033 31.732 31.700 -0.003 0.000 0.782 503 K N -1.149 119.234 120.400 -0.027 0.000 2.076 503 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 503 K C 1.872 178.447 176.600 -0.042 0.000 1.051 503 K CA 0.649 56.920 56.287 -0.026 0.000 0.949 503 K CB -0.810 31.675 32.500 -0.025 0.000 0.726 503 K HN 0.047 nan 8.250 nan 0.000 0.443 504 L N 1.598 122.776 121.223 -0.076 0.000 1.955 504 L HA -0.170 4.169 4.340 -0.000 0.000 0.213 504 L C 2.028 178.819 176.870 -0.132 0.000 1.072 504 L CA 1.646 56.408 54.840 -0.130 0.000 0.755 504 L CB -0.785 41.138 42.059 -0.226 0.000 0.888 504 L HN -0.098 nan 8.230 nan 0.000 0.432 505 V N 0.182 120.019 119.914 -0.129 0.000 2.363 505 V HA -0.349 3.771 4.120 -0.000 0.000 0.254 505 V C 2.690 178.764 176.094 -0.034 0.000 1.074 505 V CA 2.070 64.332 62.300 -0.063 0.000 1.069 505 V CB -0.942 30.880 31.823 -0.002 0.000 0.659 505 V HN 0.622 nan 8.190 nan 0.000 0.455 506 E N 0.853 121.036 120.200 -0.029 0.000 2.028 506 E HA -0.062 4.287 4.350 -0.000 0.000 0.190 506 E C 2.285 178.880 176.600 -0.009 0.000 0.984 506 E CA 1.572 57.965 56.400 -0.011 0.000 0.800 506 E CB -1.014 28.684 29.700 -0.003 0.000 0.758 506 E HN 0.416 nan 8.360 nan 0.000 0.448 507 G N 1.361 110.156 108.800 -0.008 0.000 2.529 507 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 507 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 507 G C 1.628 176.501 174.900 -0.044 0.000 1.177 507 G CA 1.388 46.499 45.100 0.019 0.000 0.773 507 G HN 0.332 nan 8.290 nan 0.000 0.573 508 L N -0.186 120.997 121.223 -0.067 0.000 2.079 508 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 508 L C 2.919 179.742 176.870 -0.080 0.000 1.081 508 L CA 1.476 56.267 54.840 -0.082 0.000 0.752 508 L CB -0.346 41.679 42.059 -0.056 0.000 0.896 508 L HN 0.213 nan 8.230 nan 0.000 0.433 509 K N -0.267 120.102 120.400 -0.051 0.000 2.155 509 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 509 K C 2.269 178.832 176.600 -0.062 0.000 1.052 509 K CA 0.787 57.051 56.287 -0.039 0.000 0.948 509 K CB 0.003 32.494 32.500 -0.015 0.000 0.728 509 K HN 0.257 nan 8.250 nan 0.000 0.448 510 R N 0.652 121.107 120.500 -0.074 0.000 2.061 510 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 510 R C 2.266 178.403 176.300 -0.273 0.000 1.140 510 R CA 0.963 57.024 56.100 -0.065 0.000 0.940 510 R CB -0.564 29.802 30.300 0.111 0.000 0.839 510 R HN 0.052 nan 8.270 nan 0.000 0.429 511 L N 1.049 121.888 121.223 -0.641 0.000 2.137 511 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 511 L C 1.745 178.448 176.870 -0.277 0.000 1.085 511 L CA 1.853 56.215 54.840 -0.797 0.000 0.760 511 L CB -0.425 41.294 42.059 -0.566 0.000 0.893 511 L HN 0.051 nan 8.230 nan 0.000 0.434 512 S N -1.096 114.511 115.700 -0.155 0.000 2.461 512 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 512 S C 1.793 176.391 174.600 -0.004 0.000 1.005 512 S CA 0.744 58.916 58.200 -0.047 0.000 0.942 512 S CB -0.097 63.091 63.200 -0.020 0.000 0.776 512 S HN 0.515 nan 8.310 nan 0.000 0.514 513 K N 1.497 121.881 120.400 -0.027 0.000 2.116 513 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 513 K C 2.523 179.141 176.600 0.030 0.000 1.052 513 K CA 1.352 57.629 56.287 -0.016 0.000 0.952 513 K CB -0.177 32.293 32.500 -0.050 0.000 0.729 513 K HN 0.438 nan 8.250 nan 0.000 0.446 514 S N 0.838 116.567 115.700 0.048 0.000 2.345 514 S HA -0.113 4.357 4.470 -0.000 0.000 0.220 514 S C 0.927 175.644 174.600 0.196 0.000 1.031 514 S CA 0.749 59.020 58.200 0.117 0.000 0.996 514 S CB -0.222 63.062 63.200 0.140 0.000 0.882 514 S HN 0.116 nan 8.310 nan 0.000 0.445 515 D N 2.702 123.177 120.400 0.125 0.000 2.313 515 D HA 0.364 5.004 4.640 -0.000 0.000 0.239 515 D C -2.117 174.228 176.300 0.075 0.000 1.142 515 D CA -2.250 51.806 54.000 0.092 0.000 0.847 515 D CB 1.775 42.638 40.800 0.104 0.000 1.082 515 D HN 0.040 nan 8.370 nan 0.000 0.480 516 P HA 0.055 nan 4.420 nan 0.000 0.229 516 P C 0.904 178.153 177.300 -0.085 0.000 1.160 516 P CA 0.394 63.432 63.100 -0.104 0.000 0.777 516 P CB 0.392 31.823 31.700 -0.447 0.000 0.814 517 C N -2.349 116.898 119.300 -0.087 0.000 2.674 517 C HA 0.231 4.691 4.460 -0.000 0.000 0.276 517 C C 1.427 176.474 174.990 0.095 0.000 1.300 517 C CA -0.303 58.677 59.018 -0.065 0.000 1.732 517 C CB -0.473 27.128 27.740 -0.231 0.000 2.076 517 C HN 0.071 nan 8.230 nan 0.000 0.548 518 V N 2.005 122.022 119.914 0.171 0.000 3.051 518 V HA 0.467 4.586 4.120 -0.000 0.000 0.306 518 V C -0.642 175.510 176.094 0.097 0.000 1.083 518 V CA 0.284 62.695 62.300 0.184 0.000 1.104 518 V CB 1.509 33.389 31.823 0.095 0.000 1.027 518 V HN 0.368 nan 8.190 nan 0.000 0.483 519 L N 5.368 126.642 121.223 0.084 0.000 2.580 519 L HA 0.625 4.964 4.340 -0.000 0.000 0.266 519 L C -0.338 176.600 176.870 0.113 0.000 0.955 519 L CA 0.138 55.046 54.840 0.113 0.000 0.886 519 L CB 1.845 43.994 42.059 0.150 0.000 1.263 519 L HN 0.901 nan 8.230 nan 0.000 0.406 520 T N 1.609 116.224 114.554 0.102 0.000 2.885 520 T HA 0.900 5.250 4.350 -0.000 0.000 0.285 520 T C -0.801 173.993 174.700 0.157 0.000 1.019 520 T CA -0.440 61.677 62.100 0.029 0.000 1.010 520 T CB 1.812 70.674 68.868 -0.010 0.000 1.022 520 T HN 0.804 nan 8.240 nan 0.000 0.466 521 Y N 0.115 120.429 120.300 0.023 0.000 2.687 521 Y HA 0.632 5.181 4.550 -0.001 0.000 0.338 521 Y C -1.216 174.691 175.900 0.012 0.000 1.189 521 Y CA -1.832 56.277 58.100 0.015 0.000 1.097 521 Y CB 0.914 39.371 38.460 -0.005 0.000 1.342 521 Y HN 0.785 nan 8.280 nan 0.000 0.461 522 M N 4.095 123.803 119.600 0.180 0.000 2.143 522 M HA 0.466 4.946 4.480 -0.000 0.000 0.348 522 M C -0.239 176.146 176.300 0.141 0.000 1.375 522 M CA -0.266 55.065 55.300 0.052 0.000 1.124 522 M CB 0.196 32.812 32.600 0.026 0.000 1.669 522 M HN 0.789 nan 8.290 nan 0.000 0.469 523 S N 3.807 119.536 115.700 0.048 0.000 2.624 523 S HA 0.324 4.793 4.470 -0.000 0.000 0.263 523 S C 0.775 175.400 174.600 0.042 0.000 1.287 523 S CA -0.587 57.678 58.200 0.107 0.000 0.990 523 S CB 0.636 63.866 63.200 0.050 0.000 0.950 523 S HN 0.715 nan 8.310 nan 0.000 0.561 524 E N 1.673 121.896 120.200 0.038 0.000 2.049 524 E HA -0.147 4.202 4.350 -0.000 0.000 0.198 524 E C 2.234 178.836 176.600 0.004 0.000 1.007 524 E CA 1.893 58.297 56.400 0.007 0.000 0.809 524 E CB -1.100 28.593 29.700 -0.011 0.000 0.749 524 E HN 0.886 nan 8.360 nan 0.000 0.450 525 S N -0.167 115.539 115.700 0.011 0.000 2.584 525 S HA 0.093 4.562 4.470 -0.000 0.000 0.240 525 S C 1.440 176.029 174.600 -0.018 0.000 0.975 525 S CA 0.682 58.888 58.200 0.010 0.000 0.949 525 S CB -0.382 62.838 63.200 0.033 0.000 0.761 525 S HN 0.443 nan 8.310 nan 0.000 0.536 526 G N 0.550 109.328 108.800 -0.038 0.000 2.212 526 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.255 526 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.255 526 G C -0.394 174.404 174.900 -0.170 0.000 1.062 526 G CA -0.009 45.038 45.100 -0.088 0.000 0.815 526 G HN 0.602 nan 8.290 nan 0.000 0.497 527 E N -0.164 119.937 120.200 -0.165 0.000 2.221 527 E HA 0.424 4.774 4.350 -0.000 0.000 0.268 527 E C -0.274 176.154 176.600 -0.286 0.000 0.933 527 E CA -1.020 55.254 56.400 -0.211 0.000 0.809 527 E CB 1.034 30.683 29.700 -0.087 0.000 1.190 527 E HN 0.411 nan 8.360 nan 0.000 0.406 528 H N 2.337 121.363 119.070 -0.074 0.000 2.800 528 H HA 0.186 4.742 4.556 -0.000 0.000 0.291 528 H C -0.253 174.968 175.328 -0.178 0.000 1.076 528 H CA 0.046 56.026 56.048 -0.113 0.000 1.452 528 H CB 0.293 30.010 29.762 -0.075 0.000 1.461 528 H HN 0.204 nan 8.280 nan 0.000 0.488 529 I N 4.306 124.733 120.570 -0.239 0.000 2.404 529 I HA 0.153 4.323 4.170 -0.000 0.000 0.293 529 I C 0.202 176.116 176.117 -0.338 0.000 0.992 529 I CA -0.785 60.290 61.300 -0.375 0.000 1.149 529 I CB 1.836 39.380 38.000 -0.760 0.000 1.315 529 I HN 0.193 nan 8.210 nan 0.000 0.446 530 V N 5.457 125.260 119.914 -0.185 0.000 2.376 530 V HA 0.669 4.789 4.120 -0.000 0.000 0.287 530 V C 0.235 176.286 176.094 -0.073 0.000 1.015 530 V CA -0.660 61.571 62.300 -0.116 0.000 0.834 530 V CB 1.463 33.235 31.823 -0.084 0.000 1.001 530 V HN 0.860 nan 8.190 nan 0.000 0.428 531 A N 3.676 126.482 122.820 -0.023 0.000 2.317 531 A HA 0.977 5.297 4.320 -0.000 0.000 0.327 531 A C 0.367 177.983 177.584 0.054 0.000 1.178 531 A CA 0.161 52.221 52.037 0.039 0.000 0.817 531 A CB 1.520 20.590 19.000 0.116 0.000 1.189 531 A HN 1.005 nan 8.150 nan 0.000 0.489 532 G N -0.427 108.416 108.800 0.070 0.000 3.243 532 G HA2 0.493 4.453 3.960 -0.000 0.000 0.248 532 G HA3 0.493 4.453 3.960 -0.000 0.000 0.248 532 G C 0.234 175.301 174.900 0.279 0.000 1.267 532 G CA 0.387 45.601 45.100 0.190 0.000 0.906 532 G HN 0.497 nan 8.290 nan 0.000 0.592 533 T N -0.530 114.328 114.554 0.506 0.000 3.022 533 T HA 0.505 4.855 4.350 -0.000 0.000 0.250 533 T C 0.594 175.438 174.700 0.241 0.000 1.060 533 T CA 0.821 63.056 62.100 0.225 0.000 1.013 533 T CB 0.309 69.192 68.868 0.025 0.000 0.982 533 T HN 1.276 nan 8.240 nan 0.000 0.508 534 G N 0.231 109.175 108.800 0.239 0.000 2.328 534 G HA2 0.276 4.236 3.960 -0.000 0.000 0.295 534 G HA3 0.276 4.236 3.960 -0.000 0.000 0.295 534 G C 0.067 175.052 174.900 0.142 0.000 1.413 534 G CA -0.334 44.877 45.100 0.186 0.000 0.817 534 G HN -0.053 nan 8.290 nan 0.000 0.546 535 E N -0.855 119.404 120.200 0.099 0.000 2.097 535 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 535 E C 2.272 178.954 176.600 0.137 0.000 1.000 535 E CA 1.812 58.329 56.400 0.196 0.000 0.804 535 E CB -0.021 29.807 29.700 0.213 0.000 0.740 535 E HN 0.349 nan 8.360 nan 0.000 0.454 536 L N 0.543 121.821 121.223 0.091 0.000 1.961 536 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 536 L C 2.517 179.431 176.870 0.074 0.000 1.075 536 L CA 2.579 57.469 54.840 0.083 0.000 0.749 536 L CB -1.092 41.004 42.059 0.061 0.000 0.890 536 L HN 0.281 nan 8.230 nan 0.000 0.433 537 H N -0.787 118.255 119.070 -0.047 0.000 2.362 537 H HA -0.271 4.285 4.556 -0.001 0.000 0.294 537 H C 1.979 177.302 175.328 -0.009 0.000 1.113 537 H CA 2.699 58.709 56.048 -0.063 0.000 1.253 537 H CB -0.522 29.204 29.762 -0.060 0.000 1.363 537 H HN 0.328 nan 8.280 nan 0.000 0.494 538 L N 0.309 121.433 121.223 -0.165 0.000 2.027 538 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 538 L C 2.508 179.321 176.870 -0.095 0.000 1.074 538 L CA 2.164 56.885 54.840 -0.199 0.000 0.745 538 L CB -0.796 41.248 42.059 -0.025 0.000 0.898 538 L HN 0.344 nan 8.230 nan 0.000 0.433 539 E N -0.191 120.004 120.200 -0.008 0.000 2.085 539 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 539 E C 2.094 178.698 176.600 0.007 0.000 0.994 539 E CA 1.615 58.025 56.400 0.017 0.000 0.801 539 E CB -0.274 29.457 29.700 0.051 0.000 0.743 539 E HN 0.382 nan 8.360 nan 0.000 0.453 540 I N 0.422 120.999 120.570 0.012 0.000 2.127 540 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 540 I C 2.471 178.601 176.117 0.021 0.000 1.075 540 I CA 1.010 62.335 61.300 0.042 0.000 1.334 540 I CB -1.484 36.558 38.000 0.071 0.000 1.040 540 I HN 0.282 nan 8.210 nan 0.000 0.405 541 C N 0.630 119.904 119.300 -0.043 0.000 2.413 541 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 541 C C 2.845 177.839 174.990 0.007 0.000 1.265 541 C CA 0.378 59.376 59.018 -0.034 0.000 1.752 541 C CB -1.236 26.409 27.740 -0.159 0.000 1.998 541 C HN 0.454 nan 8.230 nan 0.000 0.489 542 L N 0.177 121.394 121.223 -0.010 0.000 2.376 542 L HA -0.150 4.189 4.340 -0.000 0.000 0.219 542 L C 2.631 179.537 176.870 0.060 0.000 1.133 542 L CA 1.212 56.062 54.840 0.018 0.000 0.816 542 L CB -0.525 41.538 42.059 0.007 0.000 0.933 542 L HN 0.533 nan 8.230 nan 0.000 0.449 543 Q N -0.670 119.158 119.800 0.047 0.000 2.226 543 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 543 Q C 1.348 177.400 176.000 0.088 0.000 0.945 543 Q CA 0.761 56.582 55.803 0.031 0.000 0.861 543 Q CB 0.174 28.854 28.738 -0.097 0.000 0.953 543 Q HN 0.343 nan 8.270 nan 0.000 0.490 544 D N 0.763 121.219 120.400 0.093 0.000 2.309 544 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 544 D C 1.432 177.876 176.300 0.241 0.000 0.968 544 D CA 0.574 54.653 54.000 0.131 0.000 0.882 544 D CB 0.174 41.095 40.800 0.202 0.000 0.918 544 D HN 0.064 nan 8.370 nan 0.000 0.503 545 L N 0.150 121.499 121.223 0.210 0.000 2.168 545 L HA 0.098 4.438 4.340 -0.000 0.000 0.203 545 L C 1.785 178.730 176.870 0.125 0.000 1.078 545 L CA 1.399 56.344 54.840 0.174 0.000 0.780 545 L CB -0.074 42.032 42.059 0.079 0.000 0.939 545 L HN -0.111 nan 8.230 nan 0.000 0.451 546 E N -2.162 118.129 120.200 0.151 0.000 2.385 546 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 546 E C 1.194 177.796 176.600 0.003 0.000 1.013 546 E CA 0.439 56.892 56.400 0.088 0.000 0.866 546 E CB 0.157 29.917 29.700 0.101 0.000 0.832 546 E HN 0.627 nan 8.360 nan 0.000 0.500 547 H N -0.621 118.451 119.070 0.003 0.000 2.729 547 H HA 0.192 4.748 4.556 -0.001 0.000 0.263 547 H C 0.455 175.765 175.328 -0.029 0.000 0.961 547 H CA 0.504 56.547 56.048 -0.010 0.000 1.217 547 H CB 0.621 30.379 29.762 -0.007 0.000 1.447 547 H HN 0.073 nan 8.280 nan 0.000 0.496 548 D N -1.400 119.041 120.400 0.067 0.000 3.208 548 D HA 0.042 4.682 4.640 -0.000 0.000 0.193 548 D C 1.488 177.772 176.300 -0.027 0.000 1.283 548 D CA -0.238 53.735 54.000 -0.046 0.000 1.473 548 D CB -0.190 40.498 40.800 -0.187 0.000 1.040 548 D HN 0.066 nan 8.370 nan 0.000 0.173 549 H N 1.111 120.194 119.070 0.022 0.000 2.278 549 H HA -0.268 4.288 4.556 -0.000 0.000 0.267 549 H C 1.589 176.913 175.328 -0.007 0.000 1.157 549 H CA 2.636 58.687 56.048 0.006 0.000 1.192 549 H CB -0.460 29.305 29.762 0.005 0.000 1.443 549 H HN 0.319 nan 8.280 nan 0.000 0.516 550 A N -0.650 122.243 122.820 0.122 0.000 1.984 550 A HA 0.395 4.715 4.320 -0.000 0.000 0.203 550 A C 1.760 179.349 177.584 0.008 0.000 1.292 550 A CA 1.078 53.139 52.037 0.040 0.000 0.782 550 A CB -0.105 18.901 19.000 0.011 0.000 0.924 550 A HN 0.659 nan 8.150 nan 0.000 0.475 551 G N -0.473 108.330 108.800 0.005 0.000 2.367 551 G HA2 0.036 3.995 3.960 -0.000 0.000 0.295 551 G HA3 0.036 3.995 3.960 -0.000 0.000 0.295 551 G C -0.336 174.529 174.900 -0.057 0.000 1.019 551 G CA 0.448 45.528 45.100 -0.034 0.000 1.224 551 G HN 1.257 nan 8.290 nan 0.000 0.510 552 V N 1.057 120.929 119.914 -0.070 0.000 3.023 552 V HA 0.399 4.518 4.120 -0.000 0.000 0.294 552 V C -2.341 173.708 176.094 -0.075 0.000 1.324 552 V CA -1.460 60.798 62.300 -0.069 0.000 0.979 552 V CB 2.690 34.484 31.823 -0.050 0.000 1.093 552 V HN 0.202 nan 8.190 nan 0.000 0.434 553 P HA 0.127 nan 4.420 nan 0.000 0.256 553 P C -0.919 176.357 177.300 -0.039 0.000 1.173 553 P CA 0.664 63.729 63.100 -0.059 0.000 0.768 553 P CB 0.147 31.820 31.700 -0.046 0.000 0.758 554 L N 3.678 124.884 121.223 -0.029 0.000 2.334 554 L HA 0.470 4.809 4.340 -0.000 0.000 0.273 554 L C 0.838 177.704 176.870 -0.006 0.000 1.013 554 L CA -0.842 53.987 54.840 -0.018 0.000 0.816 554 L CB 1.864 43.914 42.059 -0.014 0.000 1.278 554 L HN 0.234 nan 8.230 nan 0.000 0.431 555 K N 4.247 124.646 120.400 -0.003 0.000 2.299 555 K HA 0.382 4.702 4.320 -0.000 0.000 0.268 555 K C -0.911 175.691 176.600 0.003 0.000 1.075 555 K CA -0.537 55.751 56.287 0.002 0.000 0.936 555 K CB 0.698 33.200 32.500 0.005 0.000 1.228 555 K HN 0.392 nan 8.250 nan 0.000 0.454 556 I N 2.675 123.246 120.570 0.002 0.000 2.612 556 I HA 0.139 4.309 4.170 -0.000 0.000 0.295 556 I C 0.794 176.906 176.117 -0.008 0.000 1.011 556 I CA -0.342 60.957 61.300 -0.002 0.000 1.326 556 I CB 1.286 39.285 38.000 -0.000 0.000 1.427 556 I HN 0.715 nan 8.210 nan 0.000 0.537 557 S N 4.476 120.168 115.700 -0.014 0.000 2.578 557 S HA 0.709 5.179 4.470 -0.000 0.000 0.301 557 S C -2.730 171.848 174.600 -0.037 0.000 1.091 557 S CA -1.457 56.729 58.200 -0.022 0.000 1.032 557 S CB 1.516 64.705 63.200 -0.020 0.000 1.064 557 S HN 0.339 nan 8.310 nan 0.000 0.508 558 P HA 0.238 nan 4.420 nan 0.000 0.267 558 P C -2.505 174.741 177.300 -0.090 0.000 1.201 558 P CA -0.602 62.447 63.100 -0.084 0.000 0.775 558 P CB -0.562 31.089 31.700 -0.081 0.000 0.854 559 P HA 0.095 nan 4.420 nan 0.000 0.271 559 P C -0.888 176.382 177.300 -0.049 0.000 1.218 559 P CA 0.255 63.285 63.100 -0.116 0.000 0.780 559 P CB 0.481 31.999 31.700 -0.303 0.000 0.901 560 V N 3.862 123.802 119.914 0.044 0.000 2.487 560 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 560 V C 0.014 176.194 176.094 0.143 0.000 1.028 560 V CA -0.659 61.701 62.300 0.100 0.000 0.860 560 V CB 2.213 34.092 31.823 0.092 0.000 0.991 560 V HN 0.214 nan 8.190 nan 0.000 0.427 561 V N 3.964 123.985 119.914 0.179 0.000 2.481 561 V HA 0.687 4.807 4.120 -0.000 0.000 0.286 561 V C 0.684 176.728 176.094 -0.083 0.000 1.042 561 V CA -0.515 61.813 62.300 0.047 0.000 0.928 561 V CB 1.770 33.598 31.823 0.009 0.000 0.986 561 V HN 1.010 nan 8.190 nan 0.000 0.462 562 A N 4.522 127.263 122.820 -0.131 0.000 2.407 562 A HA 0.668 4.987 4.320 -0.000 0.000 0.248 562 A C -1.015 176.480 177.584 -0.148 0.000 1.082 562 A CA 0.178 52.204 52.037 -0.019 0.000 0.785 562 A CB 0.082 19.139 19.000 0.096 0.000 1.020 562 A HN 0.733 nan 8.150 nan 0.000 0.489 563 Y N -0.108 120.336 120.300 0.241 0.000 2.615 563 Y HA 0.701 5.251 4.550 -0.000 0.000 0.341 563 Y C 0.163 176.013 175.900 -0.084 0.000 1.089 563 Y CA -0.745 57.492 58.100 0.227 0.000 1.049 563 Y CB 1.961 40.621 38.460 0.334 0.000 1.296 563 Y HN 0.710 nan 8.280 nan 0.000 0.470 564 R N 0.698 121.180 120.500 -0.031 0.000 2.750 564 R HA 0.445 4.785 4.340 -0.000 0.000 0.281 564 R C -1.502 174.782 176.300 -0.026 0.000 0.972 564 R CA -1.067 54.877 56.100 -0.259 0.000 0.912 564 R CB 1.500 31.365 30.300 -0.724 0.000 1.187 564 R HN 0.656 nan 8.270 nan 0.000 0.464 565 E N 0.793 120.974 120.200 -0.030 0.000 2.134 565 E HA 0.327 4.677 4.350 -0.000 0.000 0.278 565 E C -0.504 176.237 176.600 0.236 0.000 0.959 565 E CA -0.341 56.144 56.400 0.142 0.000 0.783 565 E CB 1.982 31.675 29.700 -0.012 0.000 1.095 565 E HN 0.419 nan 8.360 nan 0.000 0.399 566 T N 0.991 115.733 114.554 0.313 0.000 2.724 566 T HA 0.618 4.968 4.350 -0.000 0.000 0.274 566 T C -1.250 173.497 174.700 0.078 0.000 0.984 566 T CA -0.675 61.567 62.100 0.237 0.000 1.024 566 T CB 1.484 70.405 68.868 0.088 0.000 1.320 566 T HN 0.259 nan 8.240 nan 0.000 0.555 567 V N 0.743 120.630 119.914 -0.045 0.000 2.656 567 V HA 0.724 4.843 4.120 -0.000 0.000 0.307 567 V C 0.440 176.464 176.094 -0.117 0.000 1.051 567 V CA -0.652 61.507 62.300 -0.234 0.000 0.893 567 V CB 1.618 33.287 31.823 -0.255 0.000 0.999 567 V HN 0.881 nan 8.190 nan 0.000 0.426 568 E N 2.617 122.740 120.200 -0.129 0.000 2.385 568 E HA 0.222 4.572 4.350 -0.000 0.000 0.194 568 E C 0.712 177.269 176.600 -0.072 0.000 1.013 568 E CA 1.044 57.400 56.400 -0.074 0.000 0.866 568 E CB 0.317 29.979 29.700 -0.063 0.000 0.832 568 E HN 1.172 nan 8.360 nan 0.000 0.500 569 S N -2.005 113.637 115.700 -0.096 0.000 2.694 569 S HA 0.220 4.690 4.470 -0.000 0.000 0.273 569 S C -0.713 173.830 174.600 -0.094 0.000 1.180 569 S CA -1.077 57.073 58.200 -0.083 0.000 0.864 569 S CB 0.644 63.799 63.200 -0.076 0.000 1.198 569 S HN 0.070 nan 8.310 nan 0.000 0.499 570 E N 0.790 120.938 120.200 -0.085 0.000 2.404 570 E HA 0.374 4.724 4.350 -0.000 0.000 0.261 570 E C -0.544 175.995 176.600 -0.101 0.000 1.074 570 E CA -0.305 56.043 56.400 -0.086 0.000 0.917 570 E CB 0.586 30.238 29.700 -0.081 0.000 0.965 570 E HN 0.553 nan 8.360 nan 0.000 0.433 571 S N 2.277 117.917 115.700 -0.100 0.000 2.549 571 S HA -0.028 4.442 4.470 -0.000 0.000 0.286 571 S C 1.108 175.619 174.600 -0.148 0.000 1.314 571 S CA -0.250 57.873 58.200 -0.130 0.000 1.062 571 S CB 1.184 64.322 63.200 -0.104 0.000 0.865 571 S HN 0.587 nan 8.310 nan 0.000 0.498 572 S N 2.729 118.309 115.700 -0.199 0.000 2.368 572 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 572 S C 0.858 175.350 174.600 -0.180 0.000 1.044 572 S CA 1.406 59.488 58.200 -0.197 0.000 1.062 572 S CB -0.266 62.773 63.200 -0.267 0.000 0.931 572 S HN 0.901 nan 8.310 nan 0.000 0.440 573 Q N -0.652 119.011 119.800 -0.229 0.000 2.495 573 Q HA 0.531 4.871 4.340 -0.000 0.000 0.287 573 Q C -1.368 174.579 176.000 -0.088 0.000 1.078 573 Q CA -0.900 54.812 55.803 -0.152 0.000 0.793 573 Q CB 0.898 29.522 28.738 -0.190 0.000 1.459 573 Q HN -0.111 nan 8.270 nan 0.000 0.422 574 T N 1.486 116.048 114.554 0.012 0.000 2.902 574 T HA 0.315 4.665 4.350 -0.000 0.000 0.301 574 T C -0.057 174.755 174.700 0.188 0.000 1.012 574 T CA 0.275 62.429 62.100 0.092 0.000 1.151 574 T CB 0.319 69.273 68.868 0.144 0.000 0.946 574 T HN 0.585 nan 8.240 nan 0.000 0.542 575 A N 3.544 126.462 122.820 0.165 0.000 2.366 575 A HA 0.612 4.932 4.320 -0.000 0.000 0.272 575 A C -0.390 177.277 177.584 0.138 0.000 1.135 575 A CA -0.536 51.648 52.037 0.245 0.000 0.804 575 A CB 0.150 19.254 19.000 0.173 0.000 1.064 575 A HN 0.672 nan 8.150 nan 0.000 0.499 576 L N 2.216 123.441 121.223 0.003 0.000 2.410 576 L HA 0.794 5.134 4.340 -0.000 0.000 0.270 576 L C -0.499 176.136 176.870 -0.393 0.000 0.983 576 L CA 0.218 54.834 54.840 -0.373 0.000 0.822 576 L CB 2.126 43.873 42.059 -0.520 0.000 1.285 576 L HN 0.614 nan 8.230 nan 0.000 0.409 577 S N 3.155 118.666 115.700 -0.316 0.000 2.556 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.271 577 S C -1.531 172.950 174.600 -0.198 0.000 1.135 577 S CA -1.017 57.068 58.200 -0.192 0.000 0.858 577 S CB 2.101 65.261 63.200 -0.067 0.000 1.114 577 S HN 0.694 nan 8.310 nan 0.000 0.468 578 K N -0.716 119.600 120.400 -0.139 0.000 2.443 578 K HA 0.763 5.083 4.320 -0.000 0.000 0.251 578 K C -0.434 176.119 176.600 -0.079 0.000 0.972 578 K CA -0.832 55.386 56.287 -0.114 0.000 0.833 578 K CB 1.428 33.858 32.500 -0.117 0.000 1.317 578 K HN 0.575 nan 8.250 nan 0.000 0.441 579 S N 0.168 115.829 115.700 -0.066 0.000 2.600 579 S HA 0.160 4.629 4.470 -0.000 0.000 0.265 579 S C -1.872 172.678 174.600 -0.084 0.000 1.325 579 S CA -0.920 57.244 58.200 -0.060 0.000 1.002 579 S CB 0.702 63.881 63.200 -0.035 0.000 0.921 579 S HN 0.520 nan 8.310 nan 0.000 0.554 580 P HA -0.049 nan 4.420 nan 0.000 0.220 580 P C 1.136 178.361 177.300 -0.126 0.000 1.148 580 P CA 0.849 63.898 63.100 -0.084 0.000 0.803 580 P CB -0.043 31.617 31.700 -0.065 0.000 0.782 581 N N -0.122 118.494 118.700 -0.139 0.000 2.025 581 N HA -0.154 4.586 4.740 -0.000 0.000 0.194 581 N C 0.608 175.841 175.510 -0.461 0.000 1.044 581 N CA 1.370 54.272 53.050 -0.246 0.000 0.851 581 N CB -0.288 38.119 38.487 -0.133 0.000 1.036 581 N HN 0.002 nan 8.380 nan 0.000 0.422 582 K N -2.690 117.513 120.400 -0.328 0.000 3.339 582 K HA -0.124 4.196 4.320 -0.000 0.000 0.276 582 K C -0.401 176.051 176.600 -0.245 0.000 1.375 582 K CA 0.480 56.602 56.287 -0.275 0.000 0.850 582 K CB -1.563 30.774 32.500 -0.271 0.000 1.665 582 K HN 0.384 nan 8.250 nan 0.000 0.503 583 H N -0.242 118.843 119.070 0.025 0.000 2.652 583 H HA 0.204 4.760 4.556 -0.000 0.000 0.274 583 H C -0.233 175.148 175.328 0.087 0.000 1.021 583 H CA 0.110 56.208 56.048 0.084 0.000 1.187 583 H CB 0.435 30.305 29.762 0.180 0.000 1.505 583 H HN 0.231 nan 8.280 nan 0.000 0.530 584 N N 0.853 119.627 118.700 0.124 0.000 2.295 584 N HA 0.423 5.162 4.740 -0.000 0.000 0.293 584 N C -0.617 174.900 175.510 0.012 0.000 1.040 584 N CA -0.553 52.551 53.050 0.090 0.000 0.840 584 N CB 2.353 40.893 38.487 0.088 0.000 1.468 584 N HN -0.038 nan 8.380 nan 0.000 0.478 585 R N 1.477 121.978 120.500 0.003 0.000 2.686 585 R HA 0.625 4.965 4.340 -0.000 0.000 0.286 585 R C -0.902 175.321 176.300 -0.129 0.000 0.969 585 R CA -0.728 55.300 56.100 -0.120 0.000 0.898 585 R CB 2.062 32.265 30.300 -0.161 0.000 1.183 585 R HN 0.459 nan 8.270 nan 0.000 0.456 586 I N 2.420 122.838 120.570 -0.254 0.000 2.509 586 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 586 I C -1.154 174.777 176.117 -0.310 0.000 1.020 586 I CA -0.907 60.305 61.300 -0.147 0.000 1.088 586 I CB 1.725 39.687 38.000 -0.063 0.000 1.267 586 I HN 0.475 nan 8.210 nan 0.000 0.430 587 Y N 6.567 126.855 120.300 -0.021 0.000 2.350 587 Y HA 0.672 5.222 4.550 -0.001 0.000 0.338 587 Y C -0.413 175.472 175.900 -0.025 0.000 0.961 587 Y CA -0.959 57.131 58.100 -0.016 0.000 1.100 587 Y CB 1.832 40.280 38.460 -0.020 0.000 1.179 587 Y HN 0.373 nan 8.280 nan 0.000 0.454 588 L N 0.322 121.614 121.223 0.115 0.000 2.568 588 L HA 0.781 5.121 4.340 -0.000 0.000 0.257 588 L C -1.718 175.185 176.870 0.054 0.000 1.024 588 L CA -1.455 53.418 54.840 0.056 0.000 0.854 588 L CB 2.250 44.325 42.059 0.027 0.000 1.460 588 L HN 0.414 nan 8.230 nan 0.000 0.409 589 K N 0.721 121.133 120.400 0.020 0.000 2.435 589 K HA 0.945 5.265 4.320 -0.000 0.000 0.251 589 K C -1.306 175.299 176.600 0.007 0.000 0.954 589 K CA -0.730 55.561 56.287 0.006 0.000 0.820 589 K CB 2.513 35.001 32.500 -0.021 0.000 1.292 589 K HN 1.015 nan 8.250 nan 0.000 0.436 590 A N 1.574 124.399 122.820 0.009 0.000 2.354 590 A HA 0.706 5.025 4.320 -0.000 0.000 0.321 590 A C -1.186 176.388 177.584 -0.018 0.000 1.125 590 A CA -0.505 51.549 52.037 0.029 0.000 0.799 590 A CB 1.085 20.136 19.000 0.086 0.000 1.293 590 A HN 0.843 nan 8.150 nan 0.000 0.452 591 E N -0.024 120.170 120.200 -0.010 0.000 2.423 591 E HA 0.565 4.915 4.350 -0.000 0.000 0.280 591 E C -3.193 173.400 176.600 -0.012 0.000 1.030 591 E CA -2.104 54.272 56.400 -0.041 0.000 0.812 591 E CB 1.358 31.014 29.700 -0.073 0.000 1.313 591 E HN 0.256 nan 8.360 nan 0.000 0.456 592 P HA 0.213 nan 4.420 nan 0.000 0.276 592 P C -0.713 176.607 177.300 0.032 0.000 1.230 592 P CA -0.044 63.062 63.100 0.009 0.000 0.776 592 P CB 0.484 32.180 31.700 -0.007 0.000 0.888 593 I N 3.221 123.839 120.570 0.080 0.000 2.353 593 I HA 0.171 4.341 4.170 -0.000 0.000 0.293 593 I C 0.520 176.699 176.117 0.102 0.000 0.992 593 I CA -0.633 60.747 61.300 0.133 0.000 1.268 593 I CB 0.784 38.880 38.000 0.159 0.000 1.387 593 I HN 0.202 nan 8.210 nan 0.000 0.478 594 D N 6.400 126.868 120.400 0.114 0.000 2.399 594 D HA -0.030 4.610 4.640 -0.000 0.000 0.241 594 D C 1.022 177.371 176.300 0.082 0.000 1.133 594 D CA -0.114 53.941 54.000 0.091 0.000 0.890 594 D CB 1.292 42.157 40.800 0.109 0.000 1.201 594 D HN 0.503 nan 8.370 nan 0.000 0.432 595 E N 1.288 121.534 120.200 0.075 0.000 2.086 595 E HA -0.221 4.128 4.350 -0.000 0.000 0.200 595 E C 1.580 178.221 176.600 0.069 0.000 1.012 595 E CA 1.098 57.545 56.400 0.077 0.000 0.812 595 E CB 0.150 29.893 29.700 0.073 0.000 0.743 595 E HN 0.433 nan 8.360 nan 0.000 0.453 596 E N 0.176 120.424 120.200 0.080 0.000 2.086 596 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 596 E C 2.236 178.808 176.600 -0.047 0.000 1.012 596 E CA 1.174 57.632 56.400 0.097 0.000 0.812 596 E CB -0.270 29.555 29.700 0.208 0.000 0.743 596 E HN 0.136 nan 8.360 nan 0.000 0.453 597 V N 0.532 120.369 119.914 -0.128 0.000 2.453 597 V HA -0.168 3.951 4.120 -0.000 0.000 0.247 597 V C 2.439 178.447 176.094 -0.145 0.000 1.048 597 V CA 1.590 63.698 62.300 -0.321 0.000 1.049 597 V CB -0.489 31.238 31.823 -0.160 0.000 0.672 597 V HN 0.138 nan 8.190 nan 0.000 0.457 598 S N 0.332 116.021 115.700 -0.018 0.000 2.383 598 S HA -0.125 4.344 4.470 -0.000 0.000 0.229 598 S C 1.920 176.555 174.600 0.058 0.000 1.030 598 S CA 1.251 59.473 58.200 0.037 0.000 1.002 598 S CB -0.287 62.958 63.200 0.075 0.000 0.829 598 S HN 0.309 nan 8.310 nan 0.000 0.467 599 L N 1.474 122.731 121.223 0.058 0.000 1.994 599 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 599 L C 2.823 179.730 176.870 0.061 0.000 1.071 599 L CA 1.989 56.881 54.840 0.087 0.000 0.745 599 L CB -2.054 40.061 42.059 0.092 0.000 0.892 599 L HN 0.301 nan 8.230 nan 0.000 0.431 600 A N 0.420 123.239 122.820 -0.002 0.000 1.884 600 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 600 A C 2.282 179.880 177.584 0.023 0.000 1.197 600 A CA 2.272 54.303 52.037 -0.009 0.000 0.637 600 A CB -0.886 18.009 19.000 -0.175 0.000 0.827 600 A HN 0.445 nan 8.150 nan 0.000 0.450 601 I N -0.758 119.825 120.570 0.021 0.000 2.361 601 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 601 I C 2.219 178.400 176.117 0.107 0.000 1.133 601 I CA 1.630 62.993 61.300 0.106 0.000 1.413 601 I CB -0.461 37.632 38.000 0.154 0.000 1.073 601 I HN 0.421 nan 8.210 nan 0.000 0.424 602 E N 0.604 120.865 120.200 0.102 0.000 2.435 602 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 602 E C 0.596 177.260 176.600 0.107 0.000 1.029 602 E CA 0.278 56.747 56.400 0.116 0.000 0.865 602 E CB 0.135 29.926 29.700 0.151 0.000 0.833 602 E HN 0.454 nan 8.360 nan 0.000 0.510 603 N N -0.398 118.359 118.700 0.095 0.000 2.328 603 N HA 0.093 4.833 4.740 -0.000 0.000 0.247 603 N C 0.735 176.292 175.510 0.077 0.000 1.165 603 N CA 0.620 53.727 53.050 0.095 0.000 0.873 603 N CB 1.369 39.915 38.487 0.098 0.000 1.125 603 N HN 0.202 nan 8.380 nan 0.000 0.513 604 G N 1.204 110.041 108.800 0.062 0.000 2.382 604 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.259 604 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.259 604 G C 1.196 176.119 174.900 0.038 0.000 1.009 604 G CA 0.846 45.970 45.100 0.039 0.000 0.625 604 G HN 0.324 nan 8.290 nan 0.000 0.541 605 I N 1.236 121.840 120.570 0.055 0.000 2.113 605 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 605 I C 1.521 177.678 176.117 0.067 0.000 1.064 605 I CA 1.235 62.576 61.300 0.068 0.000 1.320 605 I CB -0.274 37.791 38.000 0.108 0.000 1.028 605 I HN 0.227 nan 8.210 nan 0.000 0.406 606 I N 2.167 122.773 120.570 0.060 0.000 2.269 606 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 606 I C 0.110 176.299 176.117 0.119 0.000 1.106 606 I CA -0.005 61.343 61.300 0.080 0.000 1.248 606 I CB -0.979 37.033 38.000 0.021 0.000 1.444 606 I HN 0.254 nan 8.210 nan 0.000 0.497 607 N N 8.114 126.846 118.700 0.053 0.000 2.443 607 N HA 0.342 5.082 4.740 -0.000 0.000 0.295 607 N C -2.026 173.342 175.510 -0.238 0.000 1.076 607 N CA -1.606 51.391 53.050 -0.088 0.000 0.919 607 N CB 2.898 41.351 38.487 -0.056 0.000 1.176 607 N HN 0.086 nan 8.380 nan 0.000 0.487 608 P HA 0.004 nan 4.420 nan 0.000 0.218 608 P C 0.850 178.004 177.300 -0.243 0.000 1.149 608 P CA 1.285 63.890 63.100 -0.826 0.000 0.817 608 P CB 0.440 31.609 31.700 -0.885 0.000 0.785 609 R N -0.730 119.673 120.500 -0.162 0.000 2.057 609 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 609 R C 0.564 176.861 176.300 -0.005 0.000 1.136 609 R CA 0.497 56.561 56.100 -0.059 0.000 0.952 609 R CB -1.227 29.042 30.300 -0.050 0.000 0.848 609 R HN 0.158 nan 8.270 nan 0.000 0.430 610 D N 1.724 122.120 120.400 -0.006 0.000 2.770 610 D HA -0.164 4.475 4.640 -0.000 0.000 0.211 610 D C -0.329 175.997 176.300 0.044 0.000 1.177 610 D CA 0.930 54.940 54.000 0.017 0.000 0.839 610 D CB 0.129 40.945 40.800 0.027 0.000 1.210 610 D HN 0.124 nan 8.370 nan 0.000 0.530 611 D N 0.783 121.182 120.400 -0.002 0.000 2.382 611 D HA -0.018 4.622 4.640 -0.000 0.000 0.259 611 D C 1.320 177.576 176.300 -0.074 0.000 1.224 611 D CA -0.344 53.620 54.000 -0.060 0.000 0.894 611 D CB -0.020 40.692 40.800 -0.147 0.000 1.127 611 D HN 0.330 nan 8.370 nan 0.000 0.487 612 F N 3.705 123.681 119.950 0.044 0.000 2.106 612 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 612 F C 1.673 177.501 175.800 0.048 0.000 1.082 612 F CA 1.254 59.288 58.000 0.057 0.000 1.244 612 F CB -0.653 38.388 39.000 0.068 0.000 0.997 612 F HN 0.277 nan 8.300 nan 0.000 0.486 613 K N 1.142 121.115 120.400 -0.711 0.000 2.032 613 K HA -0.111 4.208 4.320 -0.000 0.000 0.209 613 K C 2.555 179.074 176.600 -0.135 0.000 1.048 613 K CA 1.399 57.460 56.287 -0.377 0.000 0.927 613 K CB -0.775 31.405 32.500 -0.533 0.000 0.712 613 K HN 0.438 nan 8.250 nan 0.000 0.441 614 A N 1.975 124.707 122.820 -0.146 0.000 1.841 614 A HA -0.238 4.081 4.320 -0.000 0.000 0.216 614 A C 2.201 179.781 177.584 -0.007 0.000 1.199 614 A CA 1.806 53.806 52.037 -0.062 0.000 0.621 614 A CB -0.725 18.241 19.000 -0.058 0.000 0.835 614 A HN 0.284 nan 8.150 nan 0.000 0.445 615 R N -0.441 120.070 120.500 0.017 0.000 2.136 615 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 615 R C 2.310 178.640 176.300 0.050 0.000 1.131 615 R CA 2.251 58.383 56.100 0.053 0.000 0.937 615 R CB -0.644 29.717 30.300 0.101 0.000 0.863 615 R HN 0.467 nan 8.270 nan 0.000 0.435 616 A N 1.070 123.934 122.820 0.073 0.000 1.927 616 A HA -0.269 4.050 4.320 -0.000 0.000 0.220 616 A C 2.254 179.884 177.584 0.076 0.000 1.185 616 A CA 1.844 53.932 52.037 0.086 0.000 0.639 616 A CB -0.815 18.270 19.000 0.142 0.000 0.820 616 A HN 0.521 nan 8.150 nan 0.000 0.451 617 R N -0.181 120.350 120.500 0.052 0.000 2.094 617 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 617 R C 2.067 178.397 176.300 0.050 0.000 1.137 617 R CA 2.102 58.227 56.100 0.042 0.000 0.943 617 R CB -0.525 29.784 30.300 0.015 0.000 0.850 617 R HN 0.581 nan 8.270 nan 0.000 0.433 618 I N 0.711 121.312 120.570 0.051 0.000 2.118 618 I HA -0.385 3.784 4.170 -0.000 0.000 0.241 618 I C 2.700 178.897 176.117 0.133 0.000 1.070 618 I CA 1.757 63.100 61.300 0.071 0.000 1.327 618 I CB -0.347 37.708 38.000 0.091 0.000 1.034 618 I HN 0.323 nan 8.210 nan 0.000 0.405 619 M N 0.243 119.924 119.600 0.136 0.000 2.108 619 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 619 M C 2.571 179.018 176.300 0.244 0.000 1.066 619 M CA 2.115 57.515 55.300 0.167 0.000 1.107 619 M CB -0.538 31.979 32.600 -0.139 0.000 1.356 619 M HN 0.371 nan 8.290 nan 0.000 0.406 620 A N 0.350 123.282 122.820 0.187 0.000 1.873 620 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 620 A C 1.687 179.342 177.584 0.118 0.000 1.186 620 A CA 1.834 53.983 52.037 0.187 0.000 0.616 620 A CB -0.598 18.488 19.000 0.144 0.000 0.823 620 A HN 0.413 nan 8.150 nan 0.000 0.442 621 D N -0.010 120.428 120.400 0.064 0.000 2.194 621 D HA -0.056 4.583 4.640 -0.000 0.000 0.204 621 D C 0.660 176.927 176.300 -0.055 0.000 0.964 621 D CA 1.203 55.208 54.000 0.009 0.000 0.846 621 D CB -0.182 40.615 40.800 -0.005 0.000 0.962 621 D HN 0.465 nan 8.370 nan 0.000 0.490 622 D N -1.149 119.173 120.400 -0.131 0.000 2.454 622 D HA 0.004 4.644 4.640 -0.000 0.000 0.219 622 D C 0.564 176.558 176.300 -0.510 0.000 1.081 622 D CA 0.196 53.964 54.000 -0.386 0.000 0.867 622 D CB 0.176 40.592 40.800 -0.641 0.000 1.054 622 D HN 0.266 nan 8.370 nan 0.000 0.500 623 Y N 0.205 120.564 120.300 0.097 0.000 2.706 623 Y HA 0.379 4.929 4.550 -0.000 0.000 0.255 623 Y C 1.645 177.687 175.900 0.236 0.000 1.163 623 Y CA -0.451 57.743 58.100 0.157 0.000 1.174 623 Y CB 0.844 39.396 38.460 0.154 0.000 1.200 623 Y HN -0.019 nan 8.280 nan 0.000 0.544 624 G N -0.511 108.443 108.800 0.256 0.000 2.200 624 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.268 624 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.268 624 G C 0.200 175.235 174.900 0.224 0.000 0.986 624 G CA 0.175 45.392 45.100 0.195 0.000 0.677 624 G HN 0.358 nan 8.290 nan 0.000 0.532 625 W N 0.745 122.097 121.300 0.087 0.000 2.126 625 W HA 0.446 5.106 4.660 -0.000 0.000 0.346 625 W C 0.745 177.290 176.519 0.043 0.000 1.279 625 W CA -0.170 57.210 57.345 0.059 0.000 1.259 625 W CB 0.495 29.995 29.460 0.066 0.000 1.133 625 W HN 0.134 nan 8.180 nan 0.000 0.592 626 D N 2.270 122.781 120.400 0.185 0.000 2.336 626 D HA -0.037 4.603 4.640 -0.000 0.000 0.249 626 D C 1.286 177.703 176.300 0.195 0.000 1.213 626 D CA -0.043 54.032 54.000 0.125 0.000 0.870 626 D CB 1.410 42.229 40.800 0.033 0.000 1.076 626 D HN 0.332 nan 8.370 nan 0.000 0.483 627 V N 4.555 124.569 119.914 0.166 0.000 2.280 627 V HA -0.395 3.725 4.120 -0.000 0.000 0.258 627 V C 1.966 178.156 176.094 0.160 0.000 1.081 627 V CA 3.017 65.412 62.300 0.158 0.000 1.070 627 V CB -0.517 31.373 31.823 0.112 0.000 0.666 627 V HN 0.771 nan 8.190 nan 0.000 0.450 628 T N -0.666 113.964 114.554 0.126 0.000 2.746 628 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 628 T C 1.565 176.343 174.700 0.130 0.000 1.039 628 T CA 1.522 63.690 62.100 0.113 0.000 1.142 628 T CB -0.490 68.421 68.868 0.072 0.000 0.866 628 T HN 0.624 nan 8.240 nan 0.000 0.444 629 D N 1.589 122.080 120.400 0.152 0.000 2.087 629 D HA -0.074 4.566 4.640 -0.000 0.000 0.192 629 D C 2.480 178.949 176.300 0.282 0.000 0.993 629 D CA 1.503 55.619 54.000 0.193 0.000 0.828 629 D CB -0.673 40.245 40.800 0.195 0.000 0.968 629 D HN 0.381 nan 8.370 nan 0.000 0.448 630 A N 1.000 124.046 122.820 0.376 0.000 1.958 630 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 630 A C 2.174 179.840 177.584 0.137 0.000 1.178 630 A CA 1.725 53.867 52.037 0.176 0.000 0.642 630 A CB -0.628 18.437 19.000 0.109 0.000 0.816 630 A HN 0.158 nan 8.150 nan 0.000 0.453 631 R N -0.617 119.993 120.500 0.183 0.000 2.193 631 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 631 R C 0.995 177.358 176.300 0.105 0.000 1.110 631 R CA 1.222 57.454 56.100 0.221 0.000 0.988 631 R CB -0.082 30.364 30.300 0.243 0.000 0.871 631 R HN 0.409 nan 8.270 nan 0.000 0.458 632 K N 0.597 121.056 120.400 0.098 0.000 2.493 632 K HA 0.196 4.516 4.320 -0.000 0.000 0.207 632 K C -0.196 176.469 176.600 0.109 0.000 1.033 632 K CA -0.111 56.224 56.287 0.080 0.000 1.161 632 K CB 0.454 32.971 32.500 0.029 0.000 0.873 632 K HN 0.130 nan 8.250 nan 0.000 0.491 633 I N 1.178 121.808 120.570 0.100 0.000 2.668 633 I HA -0.174 3.996 4.170 -0.000 0.000 0.285 633 I C 0.710 176.968 176.117 0.236 0.000 1.168 633 I CA 0.209 61.548 61.300 0.066 0.000 1.424 633 I CB 0.297 38.277 38.000 -0.033 0.000 1.377 633 I HN 0.240 nan 8.210 nan 0.000 0.560 634 W N 6.399 127.651 121.300 -0.080 0.000 2.996 634 W HA 0.190 4.850 4.660 -0.000 0.000 0.270 634 W C 0.582 177.101 176.519 -0.001 0.000 1.280 634 W CA -0.303 57.011 57.345 -0.052 0.000 1.549 634 W CB 0.078 29.488 29.460 -0.084 0.000 1.079 634 W HN 0.716 nan 8.180 nan 0.000 0.629 635 C N -3.488 115.939 119.300 0.212 0.000 2.951 635 C HA 0.490 4.950 4.460 -0.000 0.000 0.331 635 C C -0.553 174.606 174.990 0.282 0.000 1.256 635 C CA -1.984 57.205 59.018 0.286 0.000 1.176 635 C CB -0.001 27.892 27.740 0.255 0.000 1.349 635 C HN -0.066 nan 8.230 nan 0.000 0.473 636 F N 1.016 121.065 119.950 0.165 0.000 2.518 636 F HA 0.896 5.423 4.527 -0.000 0.000 0.338 636 F C 1.129 177.097 175.800 0.280 0.000 1.065 636 F CA 0.485 58.605 58.000 0.199 0.000 1.012 636 F CB 2.385 41.448 39.000 0.105 0.000 1.297 636 F HN 1.246 nan 8.300 nan 0.000 0.489 637 G N 0.755 109.808 108.800 0.422 0.000 2.556 637 G HA2 0.477 4.437 3.960 -0.000 0.000 0.294 637 G HA3 0.477 4.437 3.960 -0.000 0.000 0.294 637 G C -3.416 171.502 174.900 0.031 0.000 1.516 637 G CA -1.109 44.102 45.100 0.186 0.000 0.824 637 G HN 0.184 nan 8.290 nan 0.000 0.535 638 P HA 0.232 nan 4.420 nan 0.000 0.274 638 P C -0.394 176.899 177.300 -0.011 0.000 1.260 638 P CA 0.039 63.097 63.100 -0.071 0.000 0.793 638 P CB 0.357 31.982 31.700 -0.124 0.000 1.048 639 D N -0.710 119.672 120.400 -0.031 0.000 2.737 639 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 639 D C 0.949 177.262 176.300 0.021 0.000 1.155 639 D CA 1.579 55.568 54.000 -0.019 0.000 0.667 639 D CB -1.931 38.844 40.800 -0.041 0.000 1.060 639 D HN 0.863 nan 8.370 nan 0.000 0.427 640 G N 1.414 110.260 108.800 0.076 0.000 2.309 640 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.286 640 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.286 640 G C 0.702 175.649 174.900 0.079 0.000 1.002 640 G CA 1.156 46.329 45.100 0.121 0.000 0.786 640 G HN 0.744 nan 8.290 nan 0.000 0.511 641 N N -1.228 117.523 118.700 0.084 0.000 1.997 641 N HA 0.170 4.910 4.740 -0.000 0.000 0.225 641 N C 0.852 176.440 175.510 0.129 0.000 1.383 641 N CA 0.649 53.701 53.050 0.003 0.000 0.770 641 N CB -0.231 38.215 38.487 -0.068 0.000 1.178 641 N HN 0.593 nan 8.380 nan 0.000 0.515 642 G N 1.570 110.477 108.800 0.178 0.000 2.621 642 G HA2 0.337 4.297 3.960 -0.000 0.000 0.271 642 G HA3 0.337 4.297 3.960 -0.000 0.000 0.271 642 G C -2.165 172.865 174.900 0.217 0.000 1.236 642 G CA -1.007 44.181 45.100 0.147 0.000 0.958 642 G HN 0.028 nan 8.290 nan 0.000 0.512 643 P HA 0.114 nan 4.420 nan 0.000 0.220 643 P C -1.027 176.334 177.300 0.102 0.000 1.778 643 P CA -0.072 63.098 63.100 0.117 0.000 0.912 643 P CB -0.482 31.267 31.700 0.082 0.000 1.861 644 N N 0.241 119.030 118.700 0.149 0.000 2.369 644 N HA 0.465 5.204 4.740 -0.000 0.000 0.287 644 N C -0.929 174.767 175.510 0.311 0.000 1.067 644 N CA -0.631 52.557 53.050 0.231 0.000 0.888 644 N CB 1.969 40.571 38.487 0.192 0.000 1.616 644 N HN -0.048 nan 8.380 nan 0.000 0.482 645 L N 0.912 122.250 121.223 0.191 0.000 2.323 645 L HA 0.781 5.121 4.340 -0.000 0.000 0.265 645 L C -0.820 175.893 176.870 -0.262 0.000 1.012 645 L CA -1.246 53.546 54.840 -0.079 0.000 0.820 645 L CB 2.063 44.011 42.059 -0.185 0.000 1.334 645 L HN 0.186 nan 8.230 nan 0.000 0.427 646 V N 2.614 122.270 119.914 -0.431 0.000 2.409 646 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 646 V C -0.601 175.341 176.094 -0.254 0.000 1.017 646 V CA -0.307 61.700 62.300 -0.489 0.000 0.841 646 V CB 1.636 33.038 31.823 -0.701 0.000 1.003 646 V HN 0.377 nan 8.190 nan 0.000 0.426 647 I N 3.866 124.315 120.570 -0.203 0.000 2.377 647 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 647 I C 0.085 176.012 176.117 -0.317 0.000 0.987 647 I CA -0.327 60.876 61.300 -0.162 0.000 1.185 647 I CB 1.545 39.550 38.000 0.008 0.000 1.341 647 I HN 0.504 nan 8.210 nan 0.000 0.455 648 D N 6.002 126.140 120.400 -0.436 0.000 2.325 648 D HA 0.150 4.790 4.640 -0.000 0.000 0.251 648 D C -0.227 175.923 176.300 -0.250 0.000 1.196 648 D CA 0.168 53.854 54.000 -0.523 0.000 0.866 648 D CB 0.794 41.183 40.800 -0.685 0.000 1.101 648 D HN 0.509 nan 8.370 nan 0.000 0.476 649 Q N 2.511 122.185 119.800 -0.210 0.000 2.155 649 Q HA 0.129 4.469 4.340 -0.000 0.000 0.273 649 Q C 0.229 176.164 176.000 -0.109 0.000 0.857 649 Q CA -0.344 55.383 55.803 -0.127 0.000 1.116 649 Q CB 0.865 29.537 28.738 -0.110 0.000 1.209 649 Q HN 0.584 nan 8.270 nan 0.000 0.460 650 T N -1.667 112.814 114.554 -0.122 0.000 2.862 650 T HA 0.536 4.886 4.350 -0.000 0.000 0.276 650 T C -0.234 174.436 174.700 -0.051 0.000 0.974 650 T CA -0.599 61.451 62.100 -0.083 0.000 0.966 650 T CB 2.178 70.997 68.868 -0.081 0.000 1.072 650 T HN 0.088 nan 8.240 nan 0.000 0.538 651 K N -0.373 120.004 120.400 -0.038 0.000 2.543 651 K HA 0.486 4.806 4.320 -0.000 0.000 0.255 651 K C -0.104 176.482 176.600 -0.023 0.000 0.934 651 K CA -0.253 56.018 56.287 -0.027 0.000 0.810 651 K CB 1.342 33.821 32.500 -0.034 0.000 1.315 651 K HN 1.324 nan 8.250 nan 0.000 0.433 652 A N 1.311 124.122 122.820 -0.016 0.000 2.826 652 A HA -0.132 4.188 4.320 -0.000 0.000 0.274 652 A C -0.255 177.313 177.584 -0.026 0.000 1.443 652 A CA 1.029 53.052 52.037 -0.023 0.000 0.833 652 A CB -2.240 16.741 19.000 -0.031 0.000 1.023 652 A HN 0.328 nan 8.150 nan 0.000 0.600 653 V N 2.189 122.100 119.914 -0.005 0.000 2.415 653 V HA 0.121 4.241 4.120 -0.000 0.000 0.267 653 V C 0.999 177.084 176.094 -0.014 0.000 1.042 653 V CA 0.007 62.311 62.300 0.007 0.000 1.000 653 V CB 1.191 33.041 31.823 0.045 0.000 1.015 653 V HN 0.579 nan 8.190 nan 0.000 0.478 654 Q N 4.356 124.100 119.800 -0.093 0.000 2.271 654 Q HA 0.091 4.431 4.340 -0.000 0.000 0.273 654 Q C -0.088 175.775 176.000 -0.228 0.000 1.051 654 Q CA 0.194 55.810 55.803 -0.312 0.000 0.901 654 Q CB 0.300 28.758 28.738 -0.467 0.000 1.174 654 Q HN 0.801 nan 8.270 nan 0.000 0.385 655 Y N -0.357 119.991 120.300 0.080 0.000 4.841 655 Y HA -0.337 4.212 4.550 -0.001 0.000 0.242 655 Y C 0.995 176.789 175.900 -0.178 0.000 1.002 655 Y CA 0.476 58.537 58.100 -0.065 0.000 2.011 655 Y CB -2.188 36.230 38.460 -0.069 0.000 1.554 655 Y HN 0.604 nan 8.280 nan 0.000 0.618 656 L N 1.709 123.013 121.223 0.135 0.000 1.965 656 L HA -0.304 4.035 4.340 -0.000 0.000 0.226 656 L C 3.020 179.959 176.870 0.115 0.000 1.083 656 L CA 2.948 57.901 54.840 0.189 0.000 0.790 656 L CB -1.000 41.222 42.059 0.272 0.000 0.898 656 L HN 0.639 nan 8.230 nan 0.000 0.439 657 H N -0.898 118.266 119.070 0.156 0.000 2.478 657 H HA -0.240 4.316 4.556 -0.000 0.000 0.294 657 H C 1.697 177.021 175.328 -0.007 0.000 1.125 657 H CA 1.916 57.980 56.048 0.026 0.000 1.225 657 H CB -0.886 28.884 29.762 0.014 0.000 1.360 657 H HN 0.651 nan 8.280 nan 0.000 0.519 658 E N 0.707 120.552 120.200 -0.593 0.000 2.482 658 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 658 E C 1.804 178.324 176.600 -0.133 0.000 1.047 658 E CA 0.808 57.008 56.400 -0.332 0.000 0.869 658 E CB 0.121 29.616 29.700 -0.341 0.000 0.836 658 E HN 0.822 nan 8.360 nan 0.000 0.520 659 I N -3.403 117.129 120.570 -0.063 0.000 4.240 659 I HA 0.178 4.347 4.170 -0.000 0.000 0.331 659 I C 1.819 177.941 176.117 0.009 0.000 1.381 659 I CA -0.329 60.974 61.300 0.005 0.000 1.136 659 I CB 0.245 38.290 38.000 0.075 0.000 1.137 659 I HN -0.195 nan 8.210 nan 0.000 0.411 660 K N 2.055 122.376 120.400 -0.132 0.000 2.089 660 K HA -0.240 4.079 4.320 -0.000 0.000 0.210 660 K C 1.351 177.812 176.600 -0.232 0.000 1.048 660 K CA 2.580 58.593 56.287 -0.456 0.000 0.926 660 K CB -0.093 31.836 32.500 -0.951 0.000 0.714 660 K HN 0.375 nan 8.250 nan 0.000 0.448 661 D N -0.064 120.247 120.400 -0.148 0.000 2.144 661 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 661 D C 1.992 178.290 176.300 -0.002 0.000 0.984 661 D CA 1.135 55.092 54.000 -0.072 0.000 0.834 661 D CB -0.162 40.604 40.800 -0.057 0.000 0.955 661 D HN 0.184 nan 8.370 nan 0.000 0.465 662 S N 0.020 115.726 115.700 0.009 0.000 2.383 662 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 662 S C 2.333 176.981 174.600 0.080 0.000 1.026 662 S CA 0.370 58.590 58.200 0.034 0.000 0.981 662 S CB -0.055 63.158 63.200 0.021 0.000 0.818 662 S HN 0.078 nan 8.310 nan 0.000 0.472 663 V N 1.503 121.494 119.914 0.129 0.000 2.295 663 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 663 V C 2.320 178.545 176.094 0.219 0.000 1.049 663 V CA 1.453 63.874 62.300 0.202 0.000 1.024 663 V CB -0.776 31.275 31.823 0.380 0.000 0.648 663 V HN 0.334 nan 8.190 nan 0.000 0.447 664 V N 0.326 120.357 119.914 0.195 0.000 2.332 664 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 664 V C 2.696 178.923 176.094 0.221 0.000 1.055 664 V CA 1.958 64.384 62.300 0.210 0.000 1.038 664 V CB -1.265 30.629 31.823 0.119 0.000 0.651 664 V HN 0.557 nan 8.190 nan 0.000 0.450 665 A N 0.426 123.339 122.820 0.155 0.000 1.849 665 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 665 A C 2.511 180.218 177.584 0.206 0.000 1.202 665 A CA 2.757 54.888 52.037 0.158 0.000 0.629 665 A CB -1.273 17.790 19.000 0.105 0.000 0.834 665 A HN 0.634 nan 8.150 nan 0.000 0.447 666 A N -1.625 121.291 122.820 0.161 0.000 1.940 666 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 666 A C 2.077 179.787 177.584 0.210 0.000 1.190 666 A CA 2.090 54.211 52.037 0.140 0.000 0.647 666 A CB -0.849 18.194 19.000 0.071 0.000 0.821 666 A HN 0.802 nan 8.150 nan 0.000 0.457 667 F N 0.142 120.144 119.950 0.087 0.000 2.365 667 F HA -0.101 4.426 4.527 -0.001 0.000 0.300 667 F C 2.339 178.192 175.800 0.088 0.000 1.090 667 F CA 1.618 59.666 58.000 0.080 0.000 1.408 667 F CB 0.034 39.093 39.000 0.099 0.000 1.060 667 F HN 0.234 nan 8.300 nan 0.000 0.534 668 Q N -0.996 118.901 119.800 0.162 0.000 2.212 668 Q HA -0.174 4.166 4.340 -0.000 0.000 0.199 668 Q C 2.194 178.188 176.000 -0.010 0.000 0.950 668 Q CA 0.877 56.708 55.803 0.047 0.000 0.863 668 Q CB -0.882 27.922 28.738 0.110 0.000 0.944 668 Q HN 0.598 nan 8.270 nan 0.000 0.465 669 W N 1.115 122.366 121.300 -0.081 0.000 2.418 669 W HA -0.007 4.652 4.660 -0.001 0.000 0.292 669 W C 1.907 178.348 176.519 -0.130 0.000 1.213 669 W CA 1.677 58.967 57.345 -0.092 0.000 1.283 669 W CB -0.013 29.400 29.460 -0.078 0.000 1.119 669 W HN 0.107 nan 8.180 nan 0.000 0.542 670 A N 0.365 123.218 122.820 0.055 0.000 1.897 670 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 670 A C 1.923 179.410 177.584 -0.162 0.000 1.181 670 A CA 2.662 54.675 52.037 -0.040 0.000 0.620 670 A CB -1.305 17.614 19.000 -0.136 0.000 0.821 670 A HN 0.297 nan 8.150 nan 0.000 0.443 671 T N -2.278 112.056 114.554 -0.368 0.000 2.995 671 T HA -0.047 4.302 4.350 -0.000 0.000 0.269 671 T C 1.728 176.263 174.700 -0.275 0.000 1.091 671 T CA 1.541 63.402 62.100 -0.399 0.000 1.128 671 T CB -0.071 68.457 68.868 -0.567 0.000 0.891 671 T HN 0.330 nan 8.240 nan 0.000 0.492 672 K N 2.075 122.324 120.400 -0.252 0.000 2.167 672 K HA 0.061 4.380 4.320 -0.000 0.000 0.203 672 K C 0.390 176.841 176.600 -0.248 0.000 1.052 672 K CA 0.812 56.947 56.287 -0.252 0.000 0.956 672 K CB 0.177 32.493 32.500 -0.307 0.000 0.735 672 K HN 0.555 nan 8.250 nan 0.000 0.451 673 E N 0.204 120.276 120.200 -0.214 0.000 2.460 673 E HA 0.278 4.628 4.350 -0.000 0.000 0.249 673 E C -0.565 175.955 176.600 -0.133 0.000 0.962 673 E CA -0.549 55.740 56.400 -0.185 0.000 0.787 673 E CB 1.395 31.002 29.700 -0.155 0.000 1.341 673 E HN 0.291 nan 8.360 nan 0.000 0.407 674 G N 2.980 111.623 108.800 -0.262 0.000 2.684 674 G HA2 0.099 4.059 3.960 -0.000 0.000 0.255 674 G HA3 0.099 4.059 3.960 -0.000 0.000 0.255 674 G C -1.364 173.231 174.900 -0.507 0.000 1.219 674 G CA -0.783 44.069 45.100 -0.412 0.000 0.901 674 G HN 0.289 nan 8.290 nan 0.000 0.548 675 P HA 0.071 nan 4.420 nan 0.000 0.245 675 P C 1.608 178.769 177.300 -0.232 0.000 1.206 675 P CA 0.332 62.954 63.100 -0.797 0.000 0.781 675 P CB 0.366 31.360 31.700 -1.178 0.000 0.994 676 I N -0.057 120.472 120.570 -0.068 0.000 2.162 676 I HA -0.078 4.091 4.170 -0.000 0.000 0.238 676 I C 1.438 177.743 176.117 0.314 0.000 1.076 676 I CA 1.590 62.996 61.300 0.177 0.000 1.353 676 I CB -0.290 37.897 38.000 0.311 0.000 1.063 676 I HN -0.092 nan 8.210 nan 0.000 0.408 677 F N -1.140 118.766 119.950 -0.073 0.000 2.453 677 F HA 0.558 5.085 4.527 -0.000 0.000 0.382 677 F C 0.616 176.379 175.800 -0.061 0.000 1.495 677 F CA -0.540 57.440 58.000 -0.033 0.000 1.071 677 F CB -0.294 38.721 39.000 0.025 0.000 1.577 677 F HN 0.055 nan 8.300 nan 0.000 0.508 678 G N 0.625 109.325 108.800 -0.166 0.000 2.283 678 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.280 678 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.280 678 G C -0.085 174.582 174.900 -0.389 0.000 1.029 678 G CA 0.525 45.472 45.100 -0.256 0.000 0.840 678 G HN 0.565 nan 8.290 nan 0.000 0.505 679 E N -0.066 119.815 120.200 -0.533 0.000 2.232 679 E HA 0.330 4.680 4.350 -0.000 0.000 0.265 679 E C 0.694 177.093 176.600 -0.336 0.000 1.001 679 E CA -0.705 55.393 56.400 -0.504 0.000 0.870 679 E CB 0.799 30.048 29.700 -0.753 0.000 1.175 679 E HN 0.516 nan 8.360 nan 0.000 0.407 680 E N 1.039 121.075 120.200 -0.273 0.000 2.436 680 E HA -0.012 4.337 4.350 -0.000 0.000 0.262 680 E C 0.104 176.556 176.600 -0.246 0.000 1.063 680 E CA 0.432 56.685 56.400 -0.245 0.000 0.944 680 E CB 0.611 30.182 29.700 -0.215 0.000 0.950 680 E HN 0.239 nan 8.360 nan 0.000 0.444 681 M N 1.654 121.117 119.600 -0.228 0.000 2.371 681 M HA 0.432 4.912 4.480 -0.000 0.000 0.301 681 M C 0.048 176.259 176.300 -0.148 0.000 1.173 681 M CA -0.248 54.945 55.300 -0.179 0.000 1.020 681 M CB 1.375 33.865 32.600 -0.183 0.000 1.490 681 M HN 0.360 nan 8.290 nan 0.000 0.485 682 R N -0.495 119.961 120.500 -0.074 0.000 2.647 682 R HA 0.205 4.544 4.340 -0.000 0.000 0.260 682 R C -1.059 175.246 176.300 0.009 0.000 1.154 682 R CA 0.001 56.052 56.100 -0.081 0.000 1.029 682 R CB 1.169 31.324 30.300 -0.242 0.000 1.262 682 R HN 0.838 nan 8.270 nan 0.000 0.437 683 S N 0.633 116.358 115.700 0.043 0.000 3.812 683 S HA -0.126 4.344 4.470 -0.000 0.000 0.341 683 S C -0.511 174.154 174.600 0.108 0.000 1.057 683 S CA 0.831 59.077 58.200 0.076 0.000 1.015 683 S CB -1.290 61.948 63.200 0.062 0.000 0.893 683 S HN 0.359 nan 8.310 nan 0.000 0.476 684 V N 1.687 121.688 119.914 0.144 0.000 2.357 684 V HA 0.494 4.614 4.120 -0.000 0.000 0.284 684 V C 0.466 176.695 176.094 0.224 0.000 1.018 684 V CA -0.624 61.793 62.300 0.195 0.000 0.841 684 V CB 1.586 33.566 31.823 0.261 0.000 0.991 684 V HN 0.493 nan 8.190 nan 0.000 0.437 685 R N 4.169 124.771 120.500 0.169 0.000 2.346 685 R HA 0.727 5.067 4.340 -0.000 0.000 0.311 685 R C -1.573 174.792 176.300 0.108 0.000 0.983 685 R CA -0.354 55.833 56.100 0.146 0.000 0.880 685 R CB 1.676 32.036 30.300 0.100 0.000 1.100 685 R HN 0.494 nan 8.270 nan 0.000 0.453 686 V N 4.632 124.582 119.914 0.061 0.000 2.444 686 V HA 0.286 4.406 4.120 -0.000 0.000 0.294 686 V C -0.570 175.477 176.094 -0.079 0.000 1.022 686 V CA -0.835 61.476 62.300 0.018 0.000 0.850 686 V CB 1.680 33.535 31.823 0.052 0.000 0.992 686 V HN 0.892 nan 8.190 nan 0.000 0.426 687 N N 5.107 123.767 118.700 -0.068 0.000 2.457 687 N HA 0.505 5.244 4.740 -0.000 0.000 0.250 687 N C -0.712 174.734 175.510 -0.106 0.000 0.982 687 N CA -0.541 52.446 53.050 -0.106 0.000 0.941 687 N CB 1.501 39.932 38.487 -0.094 0.000 1.120 687 N HN 0.575 nan 8.380 nan 0.000 0.505 688 I N 3.545 124.010 120.570 -0.175 0.000 2.379 688 I HA 0.013 4.183 4.170 -0.000 0.000 0.290 688 I C 1.149 177.189 176.117 -0.129 0.000 1.063 688 I CA -0.091 61.114 61.300 -0.159 0.000 1.351 688 I CB 0.833 38.659 38.000 -0.289 0.000 1.410 688 I HN 0.547 nan 8.210 nan 0.000 0.505 689 L N 4.557 125.751 121.223 -0.047 0.000 2.354 689 L HA 0.263 4.602 4.340 -0.000 0.000 0.212 689 L C 0.098 176.944 176.870 -0.040 0.000 1.091 689 L CA 0.487 55.299 54.840 -0.046 0.000 0.828 689 L CB -0.042 42.004 42.059 -0.023 0.000 0.973 689 L HN 0.613 nan 8.230 nan 0.000 0.461 690 D N -1.638 118.780 120.400 0.030 0.000 2.722 690 D HA 0.436 5.076 4.640 -0.000 0.000 0.231 690 D C -1.543 174.877 176.300 0.201 0.000 1.218 690 D CA -0.143 53.882 54.000 0.042 0.000 0.753 690 D CB 2.254 42.988 40.800 -0.111 0.000 1.471 690 D HN -0.299 nan 8.370 nan 0.000 0.455 691 V N 1.215 121.217 119.914 0.146 0.000 2.888 691 V HA 0.727 4.847 4.120 -0.000 0.000 0.309 691 V C -0.467 175.718 176.094 0.151 0.000 1.114 691 V CA -0.719 61.681 62.300 0.166 0.000 0.940 691 V CB 2.124 34.009 31.823 0.102 0.000 1.021 691 V HN 0.765 nan 8.190 nan 0.000 0.426 692 T N 2.726 117.379 114.554 0.165 0.000 2.809 692 T HA 0.835 5.185 4.350 -0.000 0.000 0.284 692 T C -0.903 173.877 174.700 0.133 0.000 0.992 692 T CA -0.550 61.633 62.100 0.138 0.000 0.957 692 T CB 1.002 69.962 68.868 0.153 0.000 0.942 692 T HN 0.385 nan 8.240 nan 0.000 0.439 693 L N 2.905 124.216 121.223 0.146 0.000 2.333 693 L HA 0.514 4.854 4.340 -0.000 0.000 0.269 693 L C 0.531 177.523 176.870 0.204 0.000 1.010 693 L CA -1.468 53.481 54.840 0.183 0.000 0.818 693 L CB 1.632 43.817 42.059 0.209 0.000 1.306 693 L HN 0.722 nan 8.230 nan 0.000 0.430 694 H N 1.235 120.381 119.070 0.126 0.000 2.707 694 H HA 0.148 4.704 4.556 -0.001 0.000 0.359 694 H C 0.563 175.944 175.328 0.088 0.000 1.113 694 H CA 0.443 56.544 56.048 0.088 0.000 1.422 694 H CB 1.902 31.707 29.762 0.072 0.000 1.443 694 H HN 0.792 nan 8.280 nan 0.000 0.591 695 A N 4.650 127.464 122.820 -0.009 0.000 1.908 695 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 695 A C 0.546 178.201 177.584 0.118 0.000 1.181 695 A CA 1.337 53.465 52.037 0.153 0.000 0.627 695 A CB -0.115 18.908 19.000 0.037 0.000 0.818 695 A HN 0.771 nan 8.150 nan 0.000 0.445 696 D N -0.487 120.141 120.400 0.381 0.000 2.225 696 D HA 0.464 5.104 4.640 -0.000 0.000 0.248 696 D C 1.081 177.321 176.300 -0.101 0.000 1.096 696 D CA 0.544 54.568 54.000 0.041 0.000 0.863 696 D CB 1.551 42.360 40.800 0.015 0.000 1.156 696 D HN 0.184 nan 8.370 nan 0.000 0.450 697 A N 3.132 125.840 122.820 -0.188 0.000 1.986 697 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 697 A C 2.083 179.548 177.584 -0.197 0.000 1.171 697 A CA 0.882 52.810 52.037 -0.181 0.000 0.640 697 A CB -0.581 18.312 19.000 -0.179 0.000 0.811 697 A HN 0.709 nan 8.150 nan 0.000 0.451 698 I N -0.859 119.531 120.570 -0.300 0.000 2.399 698 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 698 I C 1.211 177.052 176.117 -0.460 0.000 1.146 698 I CA 1.116 62.164 61.300 -0.420 0.000 1.412 698 I CB -0.230 37.411 38.000 -0.597 0.000 1.076 698 I HN 0.417 nan 8.210 nan 0.000 0.432 699 H N 0.549 119.501 119.070 -0.198 0.000 2.487 699 H HA 0.323 4.878 4.556 -0.000 0.000 0.290 699 H C 0.195 175.483 175.328 -0.067 0.000 1.081 699 H CA 0.047 55.990 56.048 -0.175 0.000 1.116 699 H CB 0.209 29.735 29.762 -0.393 0.000 1.560 699 H HN 0.304 nan 8.280 nan 0.000 0.548 700 R N 0.377 120.887 120.500 0.018 0.000 2.772 700 R HA 0.286 4.626 4.340 -0.000 0.000 0.358 700 R C 0.657 176.952 176.300 -0.008 0.000 1.143 700 R CA -0.335 55.783 56.100 0.030 0.000 1.153 700 R CB 1.234 31.552 30.300 0.030 0.000 1.329 700 R HN 0.071 nan 8.270 nan 0.000 0.615 701 G N -0.850 107.942 108.800 -0.014 0.000 2.562 701 G HA2 0.304 4.264 3.960 -0.000 0.000 0.275 701 G HA3 0.304 4.264 3.960 -0.000 0.000 0.275 701 G C 0.999 175.885 174.900 -0.022 0.000 1.196 701 G CA -0.280 44.803 45.100 -0.029 0.000 0.908 701 G HN 0.234 nan 8.290 nan 0.000 0.524 702 G N -0.378 108.405 108.800 -0.028 0.000 2.448 702 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.219 702 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.219 702 G C 1.648 176.521 174.900 -0.046 0.000 1.127 702 G CA 1.295 46.377 45.100 -0.030 0.000 0.766 702 G HN 0.938 nan 8.290 nan 0.000 0.552 703 G N -0.748 108.024 108.800 -0.045 0.000 2.509 703 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.218 703 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.218 703 G C 1.776 176.646 174.900 -0.050 0.000 1.124 703 G CA 0.732 45.799 45.100 -0.056 0.000 0.776 703 G HN 0.374 nan 8.290 nan 0.000 0.547 704 Q N -0.389 119.392 119.800 -0.031 0.000 2.388 704 Q HA 0.176 4.516 4.340 -0.000 0.000 0.204 704 Q C 2.737 178.723 176.000 -0.023 0.000 0.946 704 Q CA 0.056 55.846 55.803 -0.021 0.000 0.880 704 Q CB -0.115 28.628 28.738 0.009 0.000 0.997 704 Q HN 0.363 nan 8.270 nan 0.000 0.552 705 I N 1.377 121.940 120.570 -0.011 0.000 2.202 705 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 705 I C 2.500 178.606 176.117 -0.019 0.000 1.091 705 I CA 1.051 62.350 61.300 -0.001 0.000 1.368 705 I CB -1.183 36.830 38.000 0.021 0.000 1.058 705 I HN 0.129 nan 8.210 nan 0.000 0.410 706 I N 1.400 121.947 120.570 -0.039 0.000 2.091 706 I HA -0.263 3.907 4.170 -0.000 0.000 0.239 706 I C -0.221 175.831 176.117 -0.108 0.000 1.061 706 I CA 2.028 63.287 61.300 -0.068 0.000 1.317 706 I CB -2.100 35.834 38.000 -0.111 0.000 1.031 706 I HN 0.153 nan 8.210 nan 0.000 0.401 707 P HA -0.130 nan 4.420 nan 0.000 0.216 707 P C 1.578 178.824 177.300 -0.090 0.000 1.150 707 P CA 1.610 64.630 63.100 -0.133 0.000 0.837 707 P CB -0.162 31.472 31.700 -0.110 0.000 0.786 708 T N -0.523 113.993 114.554 -0.063 0.000 2.643 708 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 708 T C 1.750 176.424 174.700 -0.043 0.000 1.045 708 T CA 1.696 63.768 62.100 -0.047 0.000 1.155 708 T CB -0.889 67.956 68.868 -0.039 0.000 0.863 708 T HN 0.042 nan 8.240 nan 0.000 0.420 709 M N 1.419 121.002 119.600 -0.029 0.000 2.149 709 M HA -0.037 4.442 4.480 -0.000 0.000 0.261 709 M C 2.173 178.447 176.300 -0.043 0.000 1.064 709 M CA 1.491 56.789 55.300 -0.003 0.000 1.102 709 M CB -0.484 32.144 32.600 0.046 0.000 1.369 709 M HN 0.103 nan 8.290 nan 0.000 0.408 710 R N -0.500 119.926 120.500 -0.123 0.000 2.070 710 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 710 R C 2.277 178.324 176.300 -0.421 0.000 1.137 710 R CA 1.797 57.713 56.100 -0.307 0.000 0.945 710 R CB -0.217 29.866 30.300 -0.361 0.000 0.845 710 R HN 0.393 nan 8.270 nan 0.000 0.430 711 R N -0.066 120.311 120.500 -0.204 0.000 2.096 711 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 711 R C 2.338 178.669 176.300 0.053 0.000 1.127 711 R CA 1.210 57.294 56.100 -0.025 0.000 0.968 711 R CB -0.303 30.086 30.300 0.147 0.000 0.861 711 R HN 0.290 nan 8.270 nan 0.000 0.440 712 A N 0.582 123.417 122.820 0.025 0.000 1.877 712 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 712 A C 2.183 179.829 177.584 0.104 0.000 1.186 712 A CA 1.883 53.960 52.037 0.068 0.000 0.620 712 A CB -0.797 18.212 19.000 0.016 0.000 0.822 712 A HN 0.243 nan 8.150 nan 0.000 0.443 713 T N -0.936 113.656 114.554 0.064 0.000 2.708 713 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 713 T C 1.818 176.657 174.700 0.231 0.000 1.037 713 T CA 1.626 63.810 62.100 0.141 0.000 1.146 713 T CB -0.454 68.489 68.868 0.126 0.000 0.865 713 T HN 0.459 nan 8.240 nan 0.000 0.435 714 Y N 1.630 121.884 120.300 -0.077 0.000 2.081 714 Y HA -0.096 4.454 4.550 -0.001 0.000 0.280 714 Y C 2.863 178.760 175.900 -0.004 0.000 1.163 714 Y CA 0.347 58.309 58.100 -0.230 0.000 1.135 714 Y CB -1.472 36.479 38.460 -0.849 0.000 0.970 714 Y HN 0.222 nan 8.280 nan 0.000 0.498 715 A N -0.026 122.956 122.820 0.271 0.000 1.902 715 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 715 A C 2.694 180.440 177.584 0.269 0.000 1.181 715 A CA 1.841 54.121 52.037 0.406 0.000 0.623 715 A CB -1.427 17.875 19.000 0.503 0.000 0.818 715 A HN 0.469 nan 8.150 nan 0.000 0.443 716 G N -1.026 107.907 108.800 0.222 0.000 2.459 716 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 716 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 716 G C 1.470 176.455 174.900 0.142 0.000 1.183 716 G CA 1.202 46.390 45.100 0.147 0.000 0.776 716 G HN 0.490 nan 8.290 nan 0.000 0.552 717 F N 0.858 120.853 119.950 0.075 0.000 2.043 717 F HA -0.118 4.408 4.527 -0.001 0.000 0.297 717 F C 2.426 178.249 175.800 0.038 0.000 1.121 717 F CA 1.298 59.330 58.000 0.054 0.000 1.199 717 F CB -0.335 38.701 39.000 0.059 0.000 0.968 717 F HN 0.033 nan 8.300 nan 0.000 0.478 718 L N 0.281 121.665 121.223 0.268 0.000 2.189 718 L HA -0.203 4.137 4.340 -0.000 0.000 0.214 718 L C 2.089 178.970 176.870 0.019 0.000 1.097 718 L CA 1.525 56.484 54.840 0.199 0.000 0.764 718 L CB -1.221 41.080 42.059 0.404 0.000 0.900 718 L HN 0.285 nan 8.230 nan 0.000 0.436 719 L N -1.309 119.853 121.223 -0.101 0.000 2.591 719 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 719 L C 1.366 178.104 176.870 -0.220 0.000 1.133 719 L CA 0.129 54.794 54.840 -0.292 0.000 0.880 719 L CB -0.201 41.584 42.059 -0.456 0.000 1.033 719 L HN 0.168 nan 8.230 nan 0.000 0.450 720 A N -0.560 122.136 122.820 -0.207 0.000 2.842 720 A HA 0.168 4.488 4.320 -0.000 0.000 0.298 720 A C 0.081 177.526 177.584 -0.232 0.000 1.293 720 A CA -0.299 51.612 52.037 -0.209 0.000 0.959 720 A CB -0.267 18.614 19.000 -0.199 0.000 1.119 720 A HN 0.320 nan 8.150 nan 0.000 0.564 721 D N -0.283 120.004 120.400 -0.190 0.000 3.082 721 D HA -0.096 4.544 4.640 -0.000 0.000 0.234 721 D C -2.646 173.525 176.300 -0.215 0.000 1.159 721 D CA 0.360 54.269 54.000 -0.153 0.000 0.875 721 D CB -0.767 39.965 40.800 -0.112 0.000 0.946 721 D HN 0.301 nan 8.370 nan 0.000 0.411 722 P HA 0.261 nan 4.420 nan 0.000 0.266 722 P C -0.419 176.814 177.300 -0.111 0.000 1.195 722 P CA 0.261 63.167 63.100 -0.323 0.000 0.768 722 P CB 0.638 32.250 31.700 -0.146 0.000 0.838 723 K N 1.483 121.857 120.400 -0.042 0.000 2.556 723 K HA 0.627 4.946 4.320 -0.000 0.000 0.274 723 K C -0.903 175.768 176.600 0.118 0.000 0.966 723 K CA -0.710 55.596 56.287 0.032 0.000 0.865 723 K CB 1.530 34.036 32.500 0.011 0.000 1.444 723 K HN 0.447 nan 8.250 nan 0.000 0.433 724 I N -1.616 119.021 120.570 0.112 0.000 2.603 724 I HA 0.540 4.710 4.170 -0.000 0.000 0.300 724 I C -0.976 175.250 176.117 0.182 0.000 1.017 724 I CA -0.671 60.730 61.300 0.168 0.000 1.098 724 I CB 2.063 40.151 38.000 0.147 0.000 1.279 724 I HN 0.376 nan 8.210 nan 0.000 0.437 725 Q N 4.284 124.217 119.800 0.221 0.000 2.309 725 Q HA 0.413 4.753 4.340 -0.000 0.000 0.264 725 Q C -1.162 175.145 176.000 0.512 0.000 1.008 725 Q CA -0.773 55.200 55.803 0.283 0.000 0.853 725 Q CB 2.596 31.438 28.738 0.174 0.000 1.314 725 Q HN 0.767 nan 8.270 nan 0.000 0.448 726 E N 1.911 122.425 120.200 0.523 0.000 2.221 726 E HA 0.565 4.915 4.350 -0.000 0.000 0.268 726 E C -2.620 174.168 176.600 0.314 0.000 0.933 726 E CA -2.385 54.299 56.400 0.473 0.000 0.809 726 E CB 1.714 31.636 29.700 0.370 0.000 1.190 726 E HN 0.185 nan 8.360 nan 0.000 0.406 727 P HA 0.096 nan 4.420 nan 0.000 0.280 727 P C -0.650 176.355 177.300 -0.493 0.000 1.244 727 P CA -0.392 62.425 63.100 -0.472 0.000 0.784 727 P CB 1.248 32.535 31.700 -0.689 0.000 0.913 728 V N 4.354 123.865 119.914 -0.671 0.000 2.680 728 V HA 0.392 4.511 4.120 -0.000 0.000 0.309 728 V C 0.104 175.780 176.094 -0.698 0.000 1.052 728 V CA -0.526 61.335 62.300 -0.732 0.000 0.908 728 V CB 1.293 32.528 31.823 -0.981 0.000 1.001 728 V HN 0.353 nan 8.190 nan 0.000 0.431 729 F N 3.421 123.164 119.950 -0.346 0.000 2.403 729 F HA 0.674 5.201 4.527 -0.000 0.000 0.326 729 F C -0.011 175.703 175.800 -0.143 0.000 1.081 729 F CA -1.170 56.674 58.000 -0.260 0.000 1.041 729 F CB 1.498 40.363 39.000 -0.224 0.000 1.234 729 F HN 0.308 nan 8.300 nan 0.000 0.503 730 L N 3.205 124.517 121.223 0.149 0.000 2.298 730 L HA 0.672 5.012 4.340 -0.000 0.000 0.284 730 L C -1.283 175.593 176.870 0.011 0.000 1.013 730 L CA -0.632 54.304 54.840 0.161 0.000 0.824 730 L CB 1.174 43.320 42.059 0.145 0.000 1.221 730 L HN 0.371 nan 8.230 nan 0.000 0.418 731 V N 5.509 125.407 119.914 -0.026 0.000 2.435 731 V HA 0.582 4.702 4.120 -0.000 0.000 0.290 731 V C -0.635 175.424 176.094 -0.059 0.000 1.030 731 V CA -0.307 61.938 62.300 -0.092 0.000 0.881 731 V CB 1.704 33.432 31.823 -0.158 0.000 0.983 731 V HN 0.974 nan 8.190 nan 0.000 0.445 732 E N 6.272 126.434 120.200 -0.063 0.000 2.187 732 E HA 0.618 4.968 4.350 -0.000 0.000 0.268 732 E C -1.411 175.182 176.600 -0.011 0.000 0.896 732 E CA -0.692 55.688 56.400 -0.033 0.000 0.766 732 E CB 1.647 31.322 29.700 -0.042 0.000 1.142 732 E HN 0.765 nan 8.360 nan 0.000 0.408 733 I N 3.343 123.926 120.570 0.022 0.000 2.533 733 I HA 0.241 4.410 4.170 -0.000 0.000 0.290 733 I C -0.669 175.488 176.117 0.067 0.000 1.056 733 I CA -1.067 60.261 61.300 0.047 0.000 1.057 733 I CB 2.032 40.061 38.000 0.049 0.000 1.240 733 I HN 0.441 nan 8.210 nan 0.000 0.423 734 Q N 3.940 123.807 119.800 0.113 0.000 2.235 734 Q HA 0.633 4.973 4.340 -0.000 0.000 0.250 734 Q C -0.999 175.041 176.000 0.066 0.000 0.909 734 Q CA -0.047 55.808 55.803 0.087 0.000 0.910 734 Q CB 1.988 30.778 28.738 0.086 0.000 1.223 734 Q HN 0.714 nan 8.270 nan 0.000 0.432 735 C N 3.842 123.173 119.300 0.052 0.000 3.247 735 C HA 0.549 5.008 4.460 -0.000 0.000 0.375 735 C C -2.817 172.224 174.990 0.085 0.000 1.102 735 C CA -1.598 57.441 59.018 0.036 0.000 1.227 735 C CB 1.496 29.244 27.740 0.013 0.000 1.586 735 C HN 0.633 nan 8.230 nan 0.000 0.544 736 P HA 0.174 nan 4.420 nan 0.000 0.271 736 P C 0.586 177.985 177.300 0.164 0.000 1.216 736 P CA 0.542 63.743 63.100 0.168 0.000 0.771 736 P CB 0.543 32.337 31.700 0.155 0.000 0.864 737 E N 2.426 122.786 120.200 0.266 0.000 2.197 737 E HA -0.364 3.985 4.350 -0.000 0.000 0.205 737 E C 1.174 177.770 176.600 -0.007 0.000 1.029 737 E CA 1.814 58.294 56.400 0.133 0.000 0.828 737 E CB -0.007 29.824 29.700 0.219 0.000 0.737 737 E HN 0.483 nan 8.360 nan 0.000 0.464 738 Q N -0.464 119.360 119.800 0.040 0.000 2.170 738 Q HA -0.084 4.256 4.340 -0.000 0.000 0.203 738 Q C 1.755 177.747 176.000 -0.013 0.000 0.976 738 Q CA 1.643 57.453 55.803 0.012 0.000 0.858 738 Q CB 0.001 28.759 28.738 0.034 0.000 0.907 738 Q HN 0.318 nan 8.270 nan 0.000 0.433 739 A N -0.112 122.696 122.820 -0.019 0.000 2.348 739 A HA 0.162 4.482 4.320 -0.000 0.000 0.224 739 A C 1.800 179.325 177.584 -0.100 0.000 1.227 739 A CA -0.176 51.836 52.037 -0.043 0.000 0.885 739 A CB 0.139 19.123 19.000 -0.027 0.000 0.933 739 A HN 0.172 nan 8.150 nan 0.000 0.506 740 V N -0.000 119.823 119.914 -0.151 0.000 2.688 740 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 740 V C 2.684 178.569 176.094 -0.348 0.000 1.084 740 V CA 1.931 64.042 62.300 -0.315 0.000 1.103 740 V CB -1.061 30.530 31.823 -0.388 0.000 0.688 740 V HN 0.597 nan 8.190 nan 0.000 0.480 741 G N 0.373 109.098 108.800 -0.125 0.000 2.418 741 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 741 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 741 G C 1.635 176.529 174.900 -0.010 0.000 1.158 741 G CA 0.873 45.977 45.100 0.006 0.000 0.771 741 G HN 0.558 nan 8.290 nan 0.000 0.545 742 G N 1.240 110.009 108.800 -0.050 0.000 2.446 742 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 742 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 742 G C 1.782 176.651 174.900 -0.051 0.000 1.168 742 G CA 0.960 46.036 45.100 -0.041 0.000 0.771 742 G HN 0.442 nan 8.290 nan 0.000 0.551 743 I N -0.378 120.116 120.570 -0.127 0.000 2.118 743 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 743 I C 2.557 178.667 176.117 -0.011 0.000 1.070 743 I CA 1.302 62.529 61.300 -0.122 0.000 1.327 743 I CB -0.398 37.453 38.000 -0.249 0.000 1.034 743 I HN 0.119 nan 8.210 nan 0.000 0.405 744 Y N 0.399 120.715 120.300 0.028 0.000 2.181 744 Y HA -0.259 4.291 4.550 -0.000 0.000 0.288 744 Y C 3.035 178.957 175.900 0.037 0.000 1.146 744 Y CA 1.381 59.499 58.100 0.030 0.000 1.164 744 Y CB -1.265 37.198 38.460 0.005 0.000 0.982 744 Y HN 0.181 nan 8.280 nan 0.000 0.515 745 S N -0.257 115.551 115.700 0.179 0.000 2.359 745 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 745 S C 2.136 176.797 174.600 0.101 0.000 1.035 745 S CA 1.704 59.971 58.200 0.112 0.000 1.018 745 S CB -0.722 62.519 63.200 0.068 0.000 0.876 745 S HN 0.188 nan 8.310 nan 0.000 0.448 746 V N 1.779 121.748 119.914 0.092 0.000 2.548 746 V HA -0.019 4.101 4.120 -0.000 0.000 0.249 746 V C 2.327 178.533 176.094 0.186 0.000 1.055 746 V CA 1.424 63.785 62.300 0.102 0.000 1.065 746 V CB -0.690 31.150 31.823 0.028 0.000 0.681 746 V HN 0.473 nan 8.190 nan 0.000 0.462 747 L N 0.490 121.843 121.223 0.216 0.000 2.362 747 L HA -0.077 4.263 4.340 -0.000 0.000 0.219 747 L C 2.129 179.093 176.870 0.158 0.000 1.134 747 L CA 0.857 55.830 54.840 0.222 0.000 0.807 747 L CB -0.495 41.699 42.059 0.226 0.000 0.927 747 L HN 0.416 nan 8.230 nan 0.000 0.447 748 N N 0.048 118.829 118.700 0.134 0.000 2.395 748 N HA -0.059 4.681 4.740 -0.000 0.000 0.175 748 N C 1.381 176.945 175.510 0.091 0.000 1.029 748 N CA 0.710 53.819 53.050 0.098 0.000 0.897 748 N CB 0.118 38.653 38.487 0.080 0.000 0.991 748 N HN 0.350 nan 8.380 nan 0.000 0.441 749 K N 0.513 120.973 120.400 0.101 0.000 2.525 749 K HA 0.066 4.385 4.320 -0.000 0.000 0.192 749 K C 0.350 177.014 176.600 0.106 0.000 1.029 749 K CA 0.646 56.989 56.287 0.092 0.000 1.029 749 K CB 0.302 32.856 32.500 0.089 0.000 0.814 749 K HN -0.101 nan 8.250 nan 0.000 0.503 750 K N 0.196 120.669 120.400 0.121 0.000 2.792 750 K HA 0.229 4.548 4.320 -0.000 0.000 0.207 750 K C -0.664 175.993 176.600 0.094 0.000 1.103 750 K CA -0.157 56.202 56.287 0.120 0.000 1.048 750 K CB 0.596 33.192 32.500 0.160 0.000 0.777 750 K HN -0.001 nan 8.250 nan 0.000 0.468 751 R N -0.717 119.834 120.500 0.086 0.000 3.741 751 R HA -0.175 4.164 4.340 -0.000 0.000 0.292 751 R C 0.491 176.840 176.300 0.083 0.000 1.176 751 R CA 0.735 56.881 56.100 0.077 0.000 0.794 751 R CB -2.104 28.238 30.300 0.070 0.000 1.213 751 R HN 0.422 nan 8.270 nan 0.000 0.494 752 G N 0.599 109.454 108.800 0.092 0.000 2.539 752 G HA2 0.253 4.213 3.960 -0.000 0.000 0.258 752 G HA3 0.253 4.213 3.960 -0.000 0.000 0.258 752 G C -0.475 174.491 174.900 0.109 0.000 1.202 752 G CA -0.330 44.830 45.100 0.099 0.000 0.851 752 G HN 0.189 nan 8.290 nan 0.000 0.556 753 Q N 0.758 120.637 119.800 0.131 0.000 2.290 753 Q HA 0.422 4.761 4.340 -0.000 0.000 0.269 753 Q C -0.932 175.091 176.000 0.037 0.000 1.016 753 Q CA -0.678 55.192 55.803 0.112 0.000 0.754 753 Q CB 1.910 30.764 28.738 0.195 0.000 1.247 753 Q HN 0.356 nan 8.270 nan 0.000 0.451 754 V N 4.623 124.550 119.914 0.022 0.000 2.585 754 V HA 0.008 4.128 4.120 -0.000 0.000 0.296 754 V C 0.876 176.924 176.094 -0.077 0.000 1.035 754 V CA 0.199 62.499 62.300 0.001 0.000 1.084 754 V CB 1.179 33.028 31.823 0.043 0.000 0.953 754 V HN 0.815 nan 8.190 nan 0.000 0.483 755 V N 3.059 122.884 119.914 -0.148 0.000 3.263 755 V HA 0.185 4.305 4.120 -0.000 0.000 0.248 755 V C 0.653 176.692 176.094 -0.090 0.000 1.145 755 V CA 1.189 63.368 62.300 -0.201 0.000 1.107 755 V CB 0.551 32.131 31.823 -0.405 0.000 0.797 755 V HN 1.029 nan 8.190 nan 0.000 0.467 756 S N -0.597 115.083 115.700 -0.034 0.000 2.597 756 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 756 S C -1.391 173.253 174.600 0.074 0.000 1.132 756 S CA -0.716 57.492 58.200 0.013 0.000 0.835 756 S CB 2.276 65.473 63.200 -0.004 0.000 1.092 756 S HN 0.273 nan 8.310 nan 0.000 0.457 757 E N 1.304 121.572 120.200 0.113 0.000 2.361 757 E HA 0.332 4.682 4.350 -0.000 0.000 0.270 757 E C -1.256 175.480 176.600 0.227 0.000 0.911 757 E CA -0.338 56.180 56.400 0.196 0.000 0.818 757 E CB 1.035 30.883 29.700 0.246 0.000 1.332 757 E HN 0.784 nan 8.360 nan 0.000 0.402 758 E N 3.761 124.077 120.200 0.195 0.000 2.312 758 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 758 E C -0.883 175.682 176.600 -0.058 0.000 0.894 758 E CA -0.982 55.477 56.400 0.098 0.000 0.773 758 E CB 2.241 31.955 29.700 0.024 0.000 1.241 758 E HN 0.451 nan 8.360 nan 0.000 0.432 759 Q N 2.036 121.631 119.800 -0.341 0.000 2.342 759 Q HA 0.375 4.715 4.340 -0.000 0.000 0.267 759 Q C -0.757 175.027 176.000 -0.361 0.000 1.038 759 Q CA -0.947 54.419 55.803 -0.728 0.000 0.832 759 Q CB 1.814 29.578 28.738 -1.623 0.000 1.323 759 Q HN 0.441 nan 8.270 nan 0.000 0.448 760 R N 4.011 124.347 120.500 -0.274 0.000 2.402 760 R HA 0.062 4.401 4.340 -0.000 0.000 0.331 760 R C -1.881 174.329 176.300 -0.150 0.000 1.040 760 R CA -1.198 54.813 56.100 -0.148 0.000 0.980 760 R CB 0.169 30.419 30.300 -0.084 0.000 0.967 760 R HN 0.636 nan 8.270 nan 0.000 0.440 761 P HA -0.314 nan 4.420 nan 0.000 0.227 761 P C 1.248 178.499 177.300 -0.083 0.000 1.141 761 P CA 2.059 65.100 63.100 -0.098 0.000 0.964 761 P CB 0.168 31.828 31.700 -0.066 0.000 0.784 762 G N -1.864 106.896 108.800 -0.067 0.000 2.414 762 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.215 762 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.215 762 G C 0.604 175.465 174.900 -0.066 0.000 1.188 762 G CA 1.380 46.444 45.100 -0.059 0.000 0.783 762 G HN 0.473 nan 8.290 nan 0.000 0.537 763 T N -1.425 113.101 114.554 -0.047 0.000 2.816 763 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 763 T C -2.084 172.603 174.700 -0.022 0.000 0.993 763 T CA -1.312 60.774 62.100 -0.024 0.000 0.994 763 T CB 1.912 70.885 68.868 0.175 0.000 1.025 763 T HN -0.088 nan 8.240 nan 0.000 0.529 764 P HA 0.263 nan 4.420 nan 0.000 0.257 764 P C -0.085 177.370 177.300 0.258 0.000 1.281 764 P CA -0.347 62.824 63.100 0.119 0.000 0.826 764 P CB -0.036 31.712 31.700 0.080 0.000 1.237 765 L N 0.118 121.485 121.223 0.241 0.000 2.367 765 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 765 L C -0.496 176.352 176.870 -0.035 0.000 1.129 765 L CA 0.124 55.067 54.840 0.171 0.000 0.839 765 L CB -0.389 41.722 42.059 0.087 0.000 1.133 765 L HN -0.183 nan 8.230 nan 0.000 0.453 766 F N 2.329 122.298 119.950 0.032 0.000 2.538 766 F HA 0.575 5.101 4.527 -0.000 0.000 0.325 766 F C 0.306 176.105 175.800 -0.002 0.000 1.066 766 F CA -0.462 57.547 58.000 0.015 0.000 0.946 766 F CB 2.217 41.222 39.000 0.009 0.000 1.199 766 F HN 0.440 nan 8.300 nan 0.000 0.473 767 T N 2.429 117.082 114.554 0.165 0.000 2.881 767 T HA 0.645 4.995 4.350 -0.000 0.000 0.291 767 T C -1.557 173.206 174.700 0.106 0.000 0.990 767 T CA -0.508 61.650 62.100 0.096 0.000 0.976 767 T CB 0.624 69.516 68.868 0.041 0.000 0.970 767 T HN 0.324 nan 8.240 nan 0.000 0.438 768 V N 6.234 126.192 119.914 0.072 0.000 2.483 768 V HA 0.561 4.680 4.120 -0.000 0.000 0.295 768 V C 0.011 176.123 176.094 0.031 0.000 1.035 768 V CA -0.751 61.585 62.300 0.059 0.000 0.896 768 V CB 1.729 33.554 31.823 0.003 0.000 0.986 768 V HN 0.805 nan 8.190 nan 0.000 0.447 769 K N 3.330 123.740 120.400 0.016 0.000 2.292 769 K HA 0.883 5.203 4.320 -0.000 0.000 0.257 769 K C -0.584 175.968 176.600 -0.079 0.000 0.940 769 K CA -0.437 55.825 56.287 -0.041 0.000 0.811 769 K CB 2.405 34.865 32.500 -0.067 0.000 1.120 769 K HN 0.822 nan 8.250 nan 0.000 0.428 770 A N 2.113 124.870 122.820 -0.106 0.000 2.602 770 A HA 0.600 4.919 4.320 -0.000 0.000 0.290 770 A C -1.980 175.540 177.584 -0.106 0.000 1.114 770 A CA -0.750 51.206 52.037 -0.134 0.000 0.683 770 A CB 0.794 19.797 19.000 0.004 0.000 1.281 770 A HN 0.515 nan 8.150 nan 0.000 0.416 771 Y N -0.271 120.039 120.300 0.017 0.000 2.323 771 Y HA 0.639 5.189 4.550 -0.000 0.000 0.331 771 Y C -0.198 175.675 175.900 -0.045 0.000 1.092 771 Y CA -0.981 57.119 58.100 0.000 0.000 1.150 771 Y CB 1.714 40.213 38.460 0.065 0.000 1.200 771 Y HN 0.549 nan 8.280 nan 0.000 0.472 772 L N 6.595 127.870 121.223 0.087 0.000 2.404 772 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 772 L C -2.972 173.839 176.870 -0.098 0.000 0.980 772 L CA -2.510 52.305 54.840 -0.041 0.000 0.836 772 L CB 1.949 43.883 42.059 -0.207 0.000 1.238 772 L HN 0.281 nan 8.230 nan 0.000 0.408 773 P HA 0.064 nan 4.420 nan 0.000 0.264 773 P C 0.960 178.110 177.300 -0.249 0.000 1.193 773 P CA -0.059 62.939 63.100 -0.170 0.000 0.763 773 P CB 0.899 32.567 31.700 -0.053 0.000 0.810 774 V N 3.278 122.900 119.914 -0.487 0.000 2.392 774 V HA -0.286 3.833 4.120 -0.000 0.000 0.249 774 V C 1.682 177.592 176.094 -0.306 0.000 1.059 774 V CA 2.549 64.474 62.300 -0.625 0.000 1.051 774 V CB -1.427 29.896 31.823 -0.833 0.000 0.658 774 V HN 0.689 nan 8.190 nan 0.000 0.455 775 N N -0.095 118.538 118.700 -0.111 0.000 2.515 775 N HA -0.091 4.648 4.740 -0.000 0.000 0.191 775 N C 1.159 176.766 175.510 0.162 0.000 1.182 775 N CA 0.646 53.772 53.050 0.126 0.000 0.879 775 N CB -0.084 38.530 38.487 0.212 0.000 0.984 775 N HN 0.439 nan 8.380 nan 0.000 0.453 776 E N -0.577 119.656 120.200 0.054 0.000 2.562 776 E HA 0.055 4.405 4.350 -0.000 0.000 0.214 776 E C 0.836 177.489 176.600 0.089 0.000 0.979 776 E CA 0.270 56.730 56.400 0.099 0.000 1.002 776 E CB 0.458 30.200 29.700 0.070 0.000 1.048 776 E HN 0.528 nan 8.360 nan 0.000 0.488 777 S N -0.126 115.555 115.700 -0.033 0.000 2.527 777 S HA 0.060 4.530 4.470 -0.000 0.000 0.222 777 S C 0.679 175.266 174.600 -0.023 0.000 0.985 777 S CA -0.326 57.855 58.200 -0.032 0.000 0.921 777 S CB -0.518 62.678 63.200 -0.008 0.000 0.772 777 S HN -0.043 nan 8.310 nan 0.000 0.529 778 F N 3.049 123.096 119.950 0.162 0.000 2.557 778 F HA 0.474 5.001 4.527 -0.001 0.000 0.384 778 F C 1.789 177.672 175.800 0.139 0.000 1.057 778 F CA 0.649 58.731 58.000 0.137 0.000 1.169 778 F CB -0.069 38.991 39.000 0.099 0.000 1.070 778 F HN 0.325 nan 8.300 nan 0.000 0.554 779 G N 3.037 111.997 108.800 0.267 0.000 2.176 779 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.253 779 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.253 779 G C 1.042 176.029 174.900 0.145 0.000 0.979 779 G CA 0.238 45.446 45.100 0.180 0.000 0.641 779 G HN 0.618 nan 8.290 nan 0.000 0.530 780 F N 2.228 122.208 119.950 0.049 0.000 2.063 780 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 780 F C 2.677 178.482 175.800 0.008 0.000 1.109 780 F CA 3.159 61.174 58.000 0.025 0.000 1.212 780 F CB -0.728 38.277 39.000 0.008 0.000 0.973 780 F HN 0.177 nan 8.300 nan 0.000 0.480 781 T N 0.024 114.562 114.554 -0.027 0.000 2.653 781 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 781 T C 2.104 176.710 174.700 -0.156 0.000 1.035 781 T CA 1.680 63.710 62.100 -0.116 0.000 1.154 781 T CB -1.349 67.526 68.868 0.011 0.000 0.862 781 T HN 0.518 nan 8.240 nan 0.000 0.441 782 G N 0.952 109.703 108.800 -0.081 0.000 2.418 782 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 782 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 782 G C 1.466 176.305 174.900 -0.102 0.000 1.158 782 G CA 0.642 45.704 45.100 -0.064 0.000 0.771 782 G HN 0.529 nan 8.290 nan 0.000 0.545 783 E N -0.425 119.691 120.200 -0.141 0.000 2.152 783 E HA -0.010 4.339 4.350 -0.000 0.000 0.192 783 E C 2.348 178.816 176.600 -0.219 0.000 0.983 783 E CA 0.291 56.605 56.400 -0.144 0.000 0.818 783 E CB -0.071 29.561 29.700 -0.113 0.000 0.758 783 E HN 0.347 nan 8.360 nan 0.000 0.467 784 L N 1.378 122.368 121.223 -0.389 0.000 2.056 784 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 784 L C 2.419 179.167 176.870 -0.203 0.000 1.078 784 L CA 1.620 56.226 54.840 -0.391 0.000 0.749 784 L CB -0.235 41.464 42.059 -0.601 0.000 0.901 784 L HN -0.084 nan 8.230 nan 0.000 0.433 785 R N -0.967 119.435 120.500 -0.164 0.000 2.080 785 R HA -0.252 4.088 4.340 -0.000 0.000 0.236 785 R C 2.386 178.647 176.300 -0.064 0.000 1.137 785 R CA 1.950 57.998 56.100 -0.087 0.000 0.943 785 R CB -0.371 29.890 30.300 -0.064 0.000 0.846 785 R HN 0.413 nan 8.270 nan 0.000 0.431 786 Q N 0.219 119.980 119.800 -0.065 0.000 2.061 786 Q HA -0.096 4.243 4.340 -0.000 0.000 0.204 786 Q C 1.859 177.835 176.000 -0.041 0.000 0.984 786 Q CA 2.387 58.165 55.803 -0.042 0.000 0.846 786 Q CB -0.354 28.361 28.738 -0.038 0.000 0.902 786 Q HN 0.503 nan 8.270 nan 0.000 0.421 787 A N -0.948 121.837 122.820 -0.058 0.000 2.121 787 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 787 A C 1.738 179.295 177.584 -0.044 0.000 1.154 787 A CA 1.693 53.701 52.037 -0.048 0.000 0.679 787 A CB -0.408 18.557 19.000 -0.059 0.000 0.795 787 A HN 0.535 nan 8.150 nan 0.000 0.458 788 T N -6.045 108.480 114.554 -0.049 0.000 3.111 788 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 788 T C 1.093 175.780 174.700 -0.021 0.000 0.983 788 T CA 0.959 63.036 62.100 -0.038 0.000 0.900 788 T CB 0.103 68.942 68.868 -0.048 0.000 1.132 788 T HN 1.642 nan 8.240 nan 0.000 0.531 789 G N 1.109 109.898 108.800 -0.019 0.000 2.221 789 G HA2 0.148 4.107 3.960 -0.000 0.000 0.265 789 G HA3 0.148 4.107 3.960 -0.000 0.000 0.265 789 G C 1.157 176.055 174.900 -0.004 0.000 1.041 789 G CA 0.344 45.440 45.100 -0.007 0.000 0.807 789 G HN 1.808 nan 8.290 nan 0.000 0.502 790 G N -1.459 107.335 108.800 -0.010 0.000 2.166 790 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 790 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 790 G C 0.994 175.899 174.900 0.008 0.000 0.986 790 G CA 1.436 46.536 45.100 0.000 0.000 0.683 790 G HN 0.925 nan 8.290 nan 0.000 0.527 791 Q N -0.437 119.363 119.800 0.000 0.000 2.302 791 Q HA 0.427 4.767 4.340 -0.000 0.000 0.202 791 Q C 1.766 177.772 176.000 0.011 0.000 0.936 791 Q CA 0.656 56.456 55.803 -0.004 0.000 0.886 791 Q CB 0.278 29.013 28.738 -0.006 0.000 0.986 791 Q HN 0.824 nan 8.270 nan 0.000 0.487 792 A N 0.874 123.705 122.820 0.019 0.000 2.388 792 A HA 0.281 4.600 4.320 -0.000 0.000 0.257 792 A C -0.930 176.738 177.584 0.140 0.000 1.095 792 A CA -0.067 51.997 52.037 0.045 0.000 0.791 792 A CB 0.102 19.097 19.000 -0.008 0.000 1.029 792 A HN 0.242 nan 8.150 nan 0.000 0.489 793 F N 4.257 124.181 119.950 -0.043 0.000 2.366 793 F HA 0.503 5.029 4.527 -0.000 0.000 0.366 793 F C -2.466 173.328 175.800 -0.010 0.000 1.096 793 F CA -2.687 55.294 58.000 -0.031 0.000 1.060 793 F CB 1.674 40.647 39.000 -0.044 0.000 1.282 793 F HN 0.308 nan 8.300 nan 0.000 0.450 794 P HA 0.284 nan 4.420 nan 0.000 0.274 794 P C -1.622 175.479 177.300 -0.332 0.000 1.256 794 P CA -0.327 62.666 63.100 -0.178 0.000 0.795 794 P CB 0.721 32.381 31.700 -0.067 0.000 1.038 795 Q N 0.453 120.124 119.800 -0.215 0.000 2.613 795 Q HA 0.348 4.688 4.340 -0.000 0.000 0.231 795 Q C -1.929 173.926 176.000 -0.241 0.000 0.879 795 Q CA -0.209 55.442 55.803 -0.253 0.000 1.083 795 Q CB 0.613 29.214 28.738 -0.229 0.000 1.588 795 Q HN 0.352 nan 8.270 nan 0.000 0.500 796 M N 2.324 121.733 119.600 -0.319 0.000 2.690 796 M HA 0.831 5.310 4.480 -0.000 0.000 0.302 796 M C -1.223 174.847 176.300 -0.384 0.000 1.234 796 M CA -1.264 53.792 55.300 -0.407 0.000 0.853 796 M CB 2.587 34.753 32.600 -0.724 0.000 1.748 796 M HN 0.370 nan 8.290 nan 0.000 0.469 797 V N 1.882 121.637 119.914 -0.265 0.000 2.852 797 V HA 0.418 4.538 4.120 -0.000 0.000 0.300 797 V C -1.696 174.507 176.094 0.181 0.000 1.205 797 V CA -0.708 61.549 62.300 -0.071 0.000 0.940 797 V CB 1.939 33.712 31.823 -0.083 0.000 1.047 797 V HN 0.732 nan 8.190 nan 0.000 0.429 798 F N 6.256 126.335 119.950 0.215 0.000 2.593 798 F HA 0.204 4.731 4.527 -0.001 0.000 0.393 798 F C 1.038 176.821 175.800 -0.029 0.000 1.037 798 F CA 1.262 59.316 58.000 0.089 0.000 1.195 798 F CB 0.695 39.647 39.000 -0.080 0.000 1.034 798 F HN 0.813 nan 8.300 nan 0.000 0.552 799 D N 2.997 122.838 120.400 -0.933 0.000 2.597 799 D HA 0.027 4.667 4.640 -0.000 0.000 0.261 799 D C -0.178 175.611 176.300 -0.852 0.000 1.023 799 D CA 0.974 54.594 54.000 -0.633 0.000 0.927 799 D CB 0.287 40.994 40.800 -0.156 0.000 1.168 799 D HN 0.797 nan 8.370 nan 0.000 0.491 800 H N -3.725 114.591 119.070 -1.257 0.000 2.887 800 H HA 0.440 4.996 4.556 -0.001 0.000 0.290 800 H C -1.910 173.088 175.328 -0.551 0.000 1.429 800 H CA -1.142 54.440 56.048 -0.775 0.000 1.137 800 H CB -0.009 29.521 29.762 -0.386 0.000 1.824 800 H HN -0.116 nan 8.280 nan 0.000 0.520 801 W N 0.628 121.968 121.300 0.067 0.000 2.478 801 W HA 0.641 5.301 4.660 -0.000 0.000 0.318 801 W C -0.130 176.483 176.519 0.156 0.000 1.062 801 W CA -0.822 56.587 57.345 0.107 0.000 1.210 801 W CB 2.303 31.864 29.460 0.169 0.000 1.325 801 W HN 0.564 nan 8.180 nan 0.000 0.496 802 S N 1.816 117.717 115.700 0.336 0.000 2.449 802 S HA 0.433 4.903 4.470 -0.000 0.000 0.310 802 S C -0.254 174.475 174.600 0.215 0.000 1.096 802 S CA -0.512 57.832 58.200 0.240 0.000 1.095 802 S CB 0.622 63.912 63.200 0.150 0.000 1.007 802 S HN 0.318 nan 8.310 nan 0.000 0.474 803 T N 6.006 120.658 114.554 0.164 0.000 2.752 803 T HA 0.263 4.613 4.350 -0.000 0.000 0.295 803 T C 0.231 174.996 174.700 0.107 0.000 0.923 803 T CA -0.129 62.050 62.100 0.131 0.000 1.112 803 T CB -0.159 68.764 68.868 0.091 0.000 0.884 803 T HN 0.507 nan 8.240 nan 0.000 0.525 804 L N 2.941 124.232 121.223 0.113 0.000 2.453 804 L HA 0.236 4.575 4.340 -0.000 0.000 0.272 804 L C 1.805 178.707 176.870 0.053 0.000 1.182 804 L CA -0.258 54.633 54.840 0.084 0.000 0.858 804 L CB 0.446 42.553 42.059 0.080 0.000 1.120 804 L HN 0.832 nan 8.230 nan 0.000 0.474 805 G N 1.610 110.434 108.800 0.041 0.000 2.396 805 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 805 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 805 G C 0.819 175.727 174.900 0.013 0.000 1.166 805 G CA 0.415 45.530 45.100 0.025 0.000 0.793 805 G HN 0.683 nan 8.290 nan 0.000 0.533 806 S N 0.606 116.313 115.700 0.011 0.000 2.559 806 S HA 0.081 4.550 4.470 -0.000 0.000 0.282 806 S C -0.145 174.451 174.600 -0.007 0.000 1.336 806 S CA -0.180 58.020 58.200 -0.000 0.000 1.037 806 S CB 1.088 64.286 63.200 -0.004 0.000 0.853 806 S HN 0.274 nan 8.310 nan 0.000 0.523 807 D N 2.162 122.555 120.400 -0.011 0.000 2.371 807 D HA 0.217 4.857 4.640 -0.000 0.000 0.256 807 D C -0.991 175.294 176.300 -0.024 0.000 1.193 807 D CA -2.087 51.905 54.000 -0.013 0.000 0.881 807 D CB 0.917 41.712 40.800 -0.008 0.000 1.143 807 D HN 0.301 nan 8.370 nan 0.000 0.473 808 P HA -0.060 nan 4.420 nan 0.000 0.237 808 P C 0.743 178.009 177.300 -0.056 0.000 1.178 808 P CA 0.361 63.426 63.100 -0.058 0.000 0.766 808 P CB 0.297 31.974 31.700 -0.038 0.000 0.876 809 L N -0.332 120.880 121.223 -0.019 0.000 2.607 809 L HA 0.210 4.549 4.340 -0.000 0.000 0.228 809 L C 0.737 177.596 176.870 -0.017 0.000 1.123 809 L CA 0.670 55.505 54.840 -0.008 0.000 0.890 809 L CB -0.659 41.416 42.059 0.026 0.000 1.103 809 L HN -0.120 nan 8.230 nan 0.000 0.468 810 D N -0.267 120.118 120.400 -0.026 0.000 2.485 810 D HA 0.231 4.871 4.640 -0.000 0.000 0.229 810 D C -1.740 174.538 176.300 -0.037 0.000 1.101 810 D CA -2.368 51.618 54.000 -0.024 0.000 0.906 810 D CB 1.381 42.171 40.800 -0.017 0.000 1.019 810 D HN -0.165 nan 8.370 nan 0.000 0.516 811 P HA -0.232 nan 4.420 nan 0.000 0.221 811 P C 1.011 178.286 177.300 -0.041 0.000 1.151 811 P CA 1.732 64.804 63.100 -0.046 0.000 0.843 811 P CB 0.094 31.773 31.700 -0.035 0.000 0.778 812 T N -5.772 108.764 114.554 -0.030 0.000 3.081 812 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 812 T C 0.819 175.505 174.700 -0.022 0.000 1.100 812 T CA -0.077 62.009 62.100 -0.023 0.000 1.038 812 T CB -0.540 68.319 68.868 -0.016 0.000 0.962 812 T HN 0.145 nan 8.240 nan 0.000 0.516 813 S N 0.784 116.467 115.700 -0.028 0.000 2.645 813 S HA 0.410 4.880 4.470 -0.000 0.000 0.266 813 S C 1.063 175.645 174.600 -0.031 0.000 1.258 813 S CA -1.013 57.172 58.200 -0.024 0.000 0.990 813 S CB 1.482 64.668 63.200 -0.024 0.000 0.967 813 S HN 0.226 nan 8.310 nan 0.000 0.556 814 K N 0.550 120.939 120.400 -0.019 0.000 2.063 814 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 814 K C 2.295 178.868 176.600 -0.045 0.000 1.048 814 K CA 1.525 57.803 56.287 -0.016 0.000 0.928 814 K CB -0.642 31.862 32.500 0.007 0.000 0.713 814 K HN 0.715 nan 8.250 nan 0.000 0.442 815 A N 0.958 123.744 122.820 -0.058 0.000 1.855 815 A HA 0.001 4.321 4.320 -0.000 0.000 0.213 815 A C 2.458 179.941 177.584 -0.169 0.000 1.195 815 A CA 1.493 53.465 52.037 -0.109 0.000 0.610 815 A CB -1.105 17.851 19.000 -0.074 0.000 0.837 815 A HN 0.388 nan 8.150 nan 0.000 0.444 816 G N -0.569 108.156 108.800 -0.124 0.000 2.462 816 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 816 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 816 G C 1.399 176.212 174.900 -0.144 0.000 1.121 816 G CA 1.141 46.159 45.100 -0.137 0.000 0.758 816 G HN 0.652 nan 8.290 nan 0.000 0.559 817 E N -0.226 119.905 120.200 -0.116 0.000 2.072 817 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 817 E C 2.506 179.027 176.600 -0.132 0.000 0.985 817 E CA 0.605 56.948 56.400 -0.095 0.000 0.801 817 E CB -0.101 29.564 29.700 -0.058 0.000 0.750 817 E HN 0.551 nan 8.360 nan 0.000 0.452 818 I N 0.146 120.602 120.570 -0.190 0.000 2.202 818 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 818 I C 2.353 178.248 176.117 -0.370 0.000 1.091 818 I CA 0.581 61.725 61.300 -0.259 0.000 1.368 818 I CB -0.291 37.464 38.000 -0.409 0.000 1.058 818 I HN 0.016 nan 8.210 nan 0.000 0.410 819 V N 1.034 120.634 119.914 -0.523 0.000 2.252 819 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 819 V C 2.493 178.380 176.094 -0.345 0.000 1.056 819 V CA 1.964 63.830 62.300 -0.722 0.000 1.022 819 V CB -0.634 30.821 31.823 -0.612 0.000 0.641 819 V HN 0.359 nan 8.190 nan 0.000 0.445 820 L N 0.952 122.051 121.223 -0.207 0.000 1.990 820 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 820 L C 2.456 179.285 176.870 -0.068 0.000 1.072 820 L CA 2.580 57.357 54.840 -0.105 0.000 0.755 820 L CB -1.115 40.897 42.059 -0.079 0.000 0.889 820 L HN 0.250 nan 8.230 nan 0.000 0.432 821 A N -0.884 121.891 122.820 -0.076 0.000 1.978 821 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 821 A C 2.394 179.962 177.584 -0.026 0.000 1.170 821 A CA 1.828 53.839 52.037 -0.044 0.000 0.636 821 A CB -1.028 17.948 19.000 -0.039 0.000 0.810 821 A HN 0.613 nan 8.150 nan 0.000 0.448 822 A N -0.448 122.369 122.820 -0.005 0.000 1.898 822 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 822 A C 2.240 179.929 177.584 0.174 0.000 1.183 822 A CA 1.239 53.346 52.037 0.115 0.000 0.622 822 A CB -0.374 18.857 19.000 0.386 0.000 0.824 822 A HN 0.508 nan 8.150 nan 0.000 0.444 823 R N -0.053 120.543 120.500 0.161 0.000 2.073 823 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 823 R C 2.212 178.583 176.300 0.119 0.000 1.134 823 R CA 1.686 57.897 56.100 0.185 0.000 0.952 823 R CB -0.252 30.111 30.300 0.105 0.000 0.850 823 R HN 0.479 nan 8.270 nan 0.000 0.433 824 K N 0.138 120.566 120.400 0.047 0.000 2.057 824 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 824 K C 2.163 178.767 176.600 0.007 0.000 1.049 824 K CA 1.163 57.465 56.287 0.025 0.000 0.931 824 K CB -0.189 32.312 32.500 0.001 0.000 0.714 824 K HN 0.082 nan 8.250 nan 0.000 0.440 825 R N 0.529 121.003 120.500 -0.044 0.000 2.139 825 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 825 R C 1.527 177.750 176.300 -0.129 0.000 1.145 825 R CA 1.436 57.462 56.100 -0.124 0.000 0.976 825 R CB -0.045 30.119 30.300 -0.227 0.000 0.866 825 R HN 0.346 nan 8.270 nan 0.000 0.449 826 H N -1.160 117.944 119.070 0.056 0.000 2.539 826 H HA 0.160 4.716 4.556 -0.001 0.000 0.269 826 H C 0.626 175.979 175.328 0.042 0.000 0.980 826 H CA 0.756 56.835 56.048 0.052 0.000 1.152 826 H CB 0.611 30.414 29.762 0.069 0.000 1.407 826 H HN 0.473 nan 8.280 nan 0.000 0.564 827 G N 1.751 110.630 108.800 0.131 0.000 2.351 827 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.297 827 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.297 827 G C -0.055 174.900 174.900 0.091 0.000 1.054 827 G CA 0.334 45.487 45.100 0.088 0.000 1.123 827 G HN 0.258 nan 8.290 nan 0.000 0.512 828 M N -0.481 119.178 119.600 0.098 0.000 2.530 828 M HA 0.438 4.918 4.480 -0.000 0.000 0.307 828 M C 0.584 176.921 176.300 0.061 0.000 1.161 828 M CA -0.938 54.413 55.300 0.084 0.000 0.903 828 M CB 1.999 34.664 32.600 0.108 0.000 1.711 828 M HN 0.136 nan 8.290 nan 0.000 0.451 829 K N 1.478 121.905 120.400 0.045 0.000 2.561 829 K HA -0.081 4.239 4.320 -0.000 0.000 0.280 829 K C 0.476 177.094 176.600 0.030 0.000 0.975 829 K CA 0.645 56.949 56.287 0.029 0.000 1.024 829 K CB 0.611 33.122 32.500 0.019 0.000 0.883 829 K HN 0.712 nan 8.250 nan 0.000 0.496 830 E N 2.174 122.385 120.200 0.017 0.000 2.072 830 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 830 E C -0.309 176.294 176.600 0.005 0.000 0.985 830 E CA 1.212 57.618 56.400 0.010 0.000 0.801 830 E CB 0.070 29.770 29.700 -0.000 0.000 0.750 830 E HN 0.551 nan 8.360 nan 0.000 0.452 831 E N 1.103 121.304 120.200 0.002 0.000 2.290 831 E HA 0.109 4.459 4.350 -0.000 0.000 0.277 831 E C -0.790 175.817 176.600 0.012 0.000 1.035 831 E CA -0.172 56.227 56.400 -0.001 0.000 0.873 831 E CB 1.349 31.044 29.700 -0.009 0.000 1.029 831 E HN -0.141 nan 8.360 nan 0.000 0.419 832 V N 5.786 125.710 119.914 0.018 0.000 2.529 832 V HA 0.084 4.204 4.120 -0.000 0.000 0.292 832 V C -1.835 174.289 176.094 0.050 0.000 1.028 832 V CA -1.287 61.040 62.300 0.045 0.000 1.074 832 V CB 0.142 31.995 31.823 0.051 0.000 0.958 832 V HN 0.636 nan 8.190 nan 0.000 0.481 833 P HA 0.277 nan 4.420 nan 0.000 0.271 833 P C 0.280 177.641 177.300 0.102 0.000 1.218 833 P CA 0.217 63.332 63.100 0.025 0.000 0.780 833 P CB 0.637 32.325 31.700 -0.021 0.000 0.901 834 G N 1.725 110.533 108.800 0.012 0.000 2.502 834 G HA2 0.176 4.136 3.960 -0.000 0.000 0.305 834 G HA3 0.176 4.136 3.960 -0.000 0.000 0.305 834 G C 0.844 175.833 174.900 0.148 0.000 1.190 834 G CA -0.681 44.457 45.100 0.063 0.000 0.933 834 G HN 0.706 nan 8.290 nan 0.000 0.503 835 W N 0.064 121.493 121.300 0.215 0.000 2.305 835 W HA -0.246 4.414 4.660 -0.000 0.000 0.308 835 W C 1.545 178.208 176.519 0.241 0.000 1.226 835 W CA 1.376 58.900 57.345 0.299 0.000 1.253 835 W CB -0.915 28.641 29.460 0.159 0.000 1.146 835 W HN 0.534 nan 8.180 nan 0.000 0.507 836 Q N 1.140 120.541 119.800 -0.665 0.000 2.133 836 Q HA -0.244 4.095 4.340 -0.000 0.000 0.208 836 Q C 1.826 177.722 176.000 -0.174 0.000 0.991 836 Q CA 2.595 58.029 55.803 -0.614 0.000 0.867 836 Q CB -0.766 27.448 28.738 -0.873 0.000 0.911 836 Q HN 0.426 nan 8.270 nan 0.000 0.417 837 E N -1.362 118.689 120.200 -0.248 0.000 2.533 837 E HA -0.109 4.240 4.350 -0.000 0.000 0.201 837 E C 0.022 176.367 176.600 -0.424 0.000 1.097 837 E CA 0.503 56.695 56.400 -0.347 0.000 0.887 837 E CB 0.151 29.563 29.700 -0.479 0.000 0.855 837 E HN 0.503 nan 8.360 nan 0.000 0.540 838 Y N -2.997 117.403 120.300 0.166 0.000 2.540 838 Y HA 0.157 4.707 4.550 -0.000 0.000 0.257 838 Y C -0.102 175.949 175.900 0.251 0.000 1.090 838 Y CA -0.726 57.501 58.100 0.212 0.000 1.242 838 Y CB 0.549 39.184 38.460 0.291 0.000 1.325 838 Y HN -0.028 nan 8.280 nan 0.000 0.544 839 Y N 2.131 122.590 120.300 0.263 0.000 2.320 839 Y HA 0.375 4.925 4.550 -0.000 0.000 0.324 839 Y C -0.427 175.545 175.900 0.120 0.000 1.190 839 Y CA -0.644 57.602 58.100 0.243 0.000 1.215 839 Y CB 0.789 39.497 38.460 0.413 0.000 1.221 839 Y HN -0.031 nan 8.280 nan 0.000 0.486 840 D N 5.799 125.981 120.400 -0.362 0.000 2.481 840 D HA 0.144 4.784 4.640 -0.000 0.000 0.246 840 D C 0.312 176.346 176.300 -0.443 0.000 1.109 840 D CA -0.368 53.470 54.000 -0.270 0.000 0.845 840 D CB 2.164 42.835 40.800 -0.215 0.000 1.160 840 D HN 0.685 nan 8.370 nan 0.000 0.534 841 K N 2.500 122.839 120.400 -0.102 0.000 2.009 841 K HA -0.074 4.246 4.320 -0.000 0.000 0.210 841 K C 0.960 177.556 176.600 -0.007 0.000 1.049 841 K CA 0.978 57.294 56.287 0.048 0.000 0.929 841 K CB 0.166 32.752 32.500 0.144 0.000 0.714 841 K HN 0.619 nan 8.250 nan 0.000 0.440 842 L N 0.000 121.210 121.223 -0.022 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 842 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 842 L CB 0.000 42.070 42.059 0.018 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502