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 3b8h_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.812 176.094 -0.470 0.000 1.182 2 V CA 0.000 62.092 62.300 -0.347 0.000 1.235 2 V CB 0.000 31.519 31.823 -0.506 0.000 1.184 3 A N 3.412 126.042 122.820 -0.317 0.000 2.289 3 A HA 0.905 5.229 4.320 0.006 0.000 0.298 3 A C -1.165 176.374 177.584 -0.075 0.000 1.208 3 A CA -0.022 51.898 52.037 -0.195 0.000 0.845 3 A CB 0.159 19.111 19.000 -0.080 0.000 1.125 3 A HN 0.574 nan 8.150 nan 0.000 0.517 4 F N 0.606 120.513 119.950 -0.072 0.000 2.561 4 F HA 0.578 5.109 4.527 0.006 0.000 0.321 4 F C 1.095 176.859 175.800 -0.060 0.000 1.065 4 F CA -0.889 57.060 58.000 -0.084 0.000 0.934 4 F CB 2.132 41.069 39.000 -0.104 0.000 1.215 4 F HN 0.678 nan 8.300 nan 0.000 0.471 5 T N -1.598 113.035 114.554 0.131 0.000 2.874 5 T HA 0.396 4.750 4.350 0.006 0.000 0.281 5 T C 1.066 175.778 174.700 0.020 0.000 0.994 5 T CA -0.636 61.488 62.100 0.041 0.000 1.015 5 T CB 1.092 69.957 68.868 -0.004 0.000 1.028 5 T HN 0.263 nan 8.240 nan 0.000 0.523 6 V N 1.340 121.260 119.914 0.010 0.000 2.392 6 V HA -0.147 3.977 4.120 0.006 0.000 0.249 6 V C 2.438 178.517 176.094 -0.026 0.000 1.059 6 V CA 1.994 64.296 62.300 0.004 0.000 1.051 6 V CB -0.882 30.945 31.823 0.006 0.000 0.658 6 V HN 0.856 nan 8.190 nan 0.000 0.455 7 D N -0.074 120.301 120.400 -0.042 0.000 2.123 7 D HA -0.202 4.442 4.640 0.006 0.000 0.196 7 D C 2.316 178.551 176.300 -0.109 0.000 0.992 7 D CA 1.389 55.350 54.000 -0.064 0.000 0.833 7 D CB -0.244 40.519 40.800 -0.062 0.000 0.954 7 D HN 0.541 nan 8.370 nan 0.000 0.455 8 Q N -0.470 119.233 119.800 -0.162 0.000 2.084 8 Q HA -0.085 4.258 4.340 0.006 0.000 0.202 8 Q C 2.288 178.124 176.000 -0.273 0.000 0.978 8 Q CA 0.876 56.491 55.803 -0.314 0.000 0.844 8 Q CB -0.028 28.367 28.738 -0.571 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.125 119.640 119.600 -0.141 0.000 2.065 9 M HA -0.183 4.301 4.480 0.006 0.000 0.259 9 M C 2.210 178.484 176.300 -0.044 0.000 1.069 9 M CA 1.584 56.860 55.300 -0.040 0.000 1.110 9 M CB -0.870 31.753 32.600 0.040 0.000 1.328 9 M HN 0.067 nan 8.290 nan 0.000 0.405 10 R N 0.217 120.689 120.500 -0.047 0.000 2.105 10 R HA -0.068 4.276 4.340 0.006 0.000 0.239 10 R C 2.316 178.579 176.300 -0.061 0.000 1.135 10 R CA 1.980 58.054 56.100 -0.044 0.000 0.967 10 R CB -0.498 29.779 30.300 -0.039 0.000 0.861 10 R HN 0.266 nan 8.270 nan 0.000 0.442 11 S N 0.316 115.962 115.700 -0.089 0.000 2.370 11 S HA -0.118 4.356 4.470 0.006 0.000 0.226 11 S C 1.511 176.056 174.600 -0.092 0.000 1.033 11 S CA 1.476 59.617 58.200 -0.099 0.000 1.011 11 S CB -0.250 62.870 63.200 -0.134 0.000 0.852 11 S HN 0.576 nan 8.310 nan 0.000 0.457 12 L N -1.753 119.412 121.223 -0.096 0.000 2.629 12 L HA 0.411 4.755 4.340 0.006 0.000 0.230 12 L C 1.521 178.373 176.870 -0.030 0.000 1.151 12 L CA 0.460 55.264 54.840 -0.060 0.000 0.924 12 L CB -0.178 41.864 42.059 -0.028 0.000 1.137 12 L HN 0.203 nan 8.230 nan 0.000 0.457 13 M N 0.568 120.148 119.600 -0.035 0.000 2.516 13 M HA 0.014 4.498 4.480 0.006 0.000 0.259 13 M C 1.312 177.588 176.300 -0.039 0.000 1.146 13 M CA 0.861 56.145 55.300 -0.026 0.000 1.122 13 M CB 0.128 32.717 32.600 -0.019 0.000 1.341 13 M HN 0.451 nan 8.290 nan 0.000 0.478 14 D N 0.152 120.524 120.400 -0.046 0.000 2.277 14 D HA -0.090 4.553 4.640 0.006 0.000 0.208 14 D C 0.241 176.510 176.300 -0.052 0.000 0.962 14 D CA 0.802 54.774 54.000 -0.047 0.000 0.865 14 D CB -0.291 40.482 40.800 -0.046 0.000 0.939 14 D HN 0.111 nan 8.370 nan 0.000 0.510 15 K N 0.707 121.070 120.400 -0.061 0.000 2.187 15 K HA 0.219 4.543 4.320 0.006 0.000 0.242 15 K C 0.370 176.927 176.600 -0.072 0.000 1.179 15 K CA -0.245 55.997 56.287 -0.076 0.000 1.097 15 K CB 1.311 33.749 32.500 -0.104 0.000 1.634 15 K HN -0.052 nan 8.250 nan 0.000 0.335 16 V N 1.114 120.994 119.914 -0.056 0.000 2.970 16 V HA -0.194 3.930 4.120 0.006 0.000 0.260 16 V C 2.252 178.324 176.094 -0.037 0.000 1.100 16 V CA 2.116 64.389 62.300 -0.046 0.000 1.122 16 V CB -0.516 31.278 31.823 -0.048 0.000 0.721 16 V HN 0.771 nan 8.190 nan 0.000 0.483 17 T N -2.008 112.519 114.554 -0.045 0.000 3.007 17 T HA -0.101 4.253 4.350 0.006 0.000 0.270 17 T C 1.110 175.797 174.700 -0.022 0.000 1.107 17 T CA 1.340 63.423 62.100 -0.028 0.000 1.118 17 T CB -0.360 68.487 68.868 -0.035 0.000 0.889 17 T HN 0.447 nan 8.240 nan 0.000 0.506 18 N N 0.727 119.369 118.700 -0.097 0.000 2.328 18 N HA 0.371 5.115 4.740 0.006 0.000 0.247 18 N C -1.099 174.422 175.510 0.018 0.000 1.165 18 N CA -0.190 52.744 53.050 -0.192 0.000 0.873 18 N CB 1.014 39.117 38.487 -0.640 0.000 1.125 18 N HN 0.282 nan 8.380 nan 0.000 0.513 19 V N 0.812 120.763 119.914 0.062 0.000 2.581 19 V HA 0.507 4.631 4.120 0.006 0.000 0.303 19 V C -0.064 176.085 176.094 0.092 0.000 1.041 19 V CA -0.838 61.508 62.300 0.077 0.000 0.907 19 V CB 2.139 33.974 31.823 0.021 0.000 0.994 19 V HN 0.063 nan 8.190 nan 0.000 0.442 20 R N 3.018 123.572 120.500 0.090 0.000 2.352 20 R HA 0.388 4.731 4.340 0.006 0.000 0.304 20 R C -0.943 175.383 176.300 0.044 0.000 1.104 20 R CA -0.598 55.542 56.100 0.066 0.000 0.991 20 R CB 0.828 31.166 30.300 0.065 0.000 1.140 20 R HN 0.577 nan 8.270 nan 0.000 0.540 21 N N 3.987 122.701 118.700 0.024 0.000 2.402 21 N HA 0.176 4.920 4.740 0.006 0.000 0.252 21 N C 0.155 175.683 175.510 0.029 0.000 1.118 21 N CA 0.127 53.188 53.050 0.017 0.000 0.945 21 N CB 1.039 39.514 38.487 -0.020 0.000 1.147 21 N HN 0.464 nan 8.380 nan 0.000 0.495 22 M N 0.303 119.925 119.600 0.038 0.000 2.569 22 M HA 0.498 4.981 4.480 0.006 0.000 0.279 22 M C -1.338 174.983 176.300 0.035 0.000 1.253 22 M CA -0.590 54.729 55.300 0.033 0.000 0.867 22 M CB 1.852 34.465 32.600 0.022 0.000 1.727 22 M HN 0.310 nan 8.290 nan 0.000 0.467 23 S N 1.203 116.917 115.700 0.024 0.000 2.671 23 S HA 0.879 5.353 4.470 0.006 0.000 0.299 23 S C -1.205 173.395 174.600 -0.000 0.000 1.116 23 S CA -0.720 57.492 58.200 0.020 0.000 0.912 23 S CB 1.912 65.129 63.200 0.027 0.000 1.130 23 S HN 0.653 nan 8.310 nan 0.000 0.501 24 V N 1.779 121.690 119.914 -0.006 0.000 2.328 24 V HA 0.415 4.539 4.120 0.006 0.000 0.278 24 V C -0.583 175.496 176.094 -0.024 0.000 1.021 24 V CA -0.561 61.727 62.300 -0.019 0.000 0.838 24 V CB 0.766 32.577 31.823 -0.020 0.000 0.999 24 V HN 0.782 nan 8.190 nan 0.000 0.447 25 I N 5.086 125.636 120.570 -0.033 0.000 2.291 25 I HA 0.702 4.876 4.170 0.006 0.000 0.290 25 I C 0.355 176.449 176.117 -0.040 0.000 1.050 25 I CA 0.105 61.380 61.300 -0.041 0.000 1.245 25 I CB 0.910 38.879 38.000 -0.053 0.000 1.405 25 I HN 0.715 nan 8.210 nan 0.000 0.478 26 A N 5.542 128.339 122.820 -0.038 0.000 2.577 26 A HA 0.357 4.681 4.320 0.006 0.000 0.297 26 A C -0.958 176.601 177.584 -0.043 0.000 1.060 26 A CA -0.634 51.389 52.037 -0.023 0.000 0.697 26 A CB 1.165 20.171 19.000 0.009 0.000 1.281 26 A HN 0.683 nan 8.150 nan 0.000 0.402 27 H N 1.694 120.646 119.070 -0.197 0.000 2.815 27 H HA 0.169 4.730 4.556 0.008 0.000 0.350 27 H C 1.166 176.435 175.328 -0.099 0.000 1.080 27 H CA 1.168 57.075 56.048 -0.235 0.000 1.433 27 H CB 1.402 30.846 29.762 -0.530 0.000 1.432 27 H HN 0.337 nan 8.280 nan 0.000 0.592 28 V N 3.976 123.789 119.914 -0.169 0.000 2.490 28 V HA -0.226 3.897 4.120 0.006 0.000 0.250 28 V C 1.346 177.556 176.094 0.193 0.000 1.061 28 V CA 2.038 64.344 62.300 0.010 0.000 1.064 28 V CB -0.264 31.529 31.823 -0.051 0.000 0.670 28 V HN 0.703 nan 8.190 nan 0.000 0.461 29 D N -1.340 119.343 120.400 0.472 0.000 2.363 29 D HA -0.023 4.620 4.640 0.006 0.000 0.226 29 D C 1.204 177.733 176.300 0.382 0.000 1.020 29 D CA 0.521 54.736 54.000 0.359 0.000 0.892 29 D CB -0.165 40.822 40.800 0.312 0.000 0.900 29 D HN 0.489 nan 8.370 nan 0.000 0.531 30 H N -0.743 118.399 119.070 0.120 0.000 2.505 30 H HA 0.368 4.927 4.556 0.005 0.000 0.286 30 H C 1.301 176.632 175.328 0.005 0.000 1.072 30 H CA -0.187 55.883 56.048 0.037 0.000 1.141 30 H CB 0.318 30.102 29.762 0.037 0.000 1.550 30 H HN 0.053 nan 8.280 nan 0.000 0.547 31 G N 1.433 110.301 108.800 0.114 0.000 2.225 31 G HA2 -0.387 3.577 3.960 0.006 0.000 0.264 31 G HA3 -0.387 3.577 3.960 0.006 0.000 0.264 31 G C 1.445 176.361 174.900 0.027 0.000 1.060 31 G CA 0.748 45.870 45.100 0.037 0.000 0.833 31 G HN 0.500 nan 8.290 nan 0.000 0.498 32 K N 0.614 121.042 120.400 0.047 0.000 2.009 32 K HA -0.185 4.139 4.320 0.006 0.000 0.210 32 K C 2.893 179.492 176.600 -0.001 0.000 1.049 32 K CA 2.367 58.665 56.287 0.018 0.000 0.929 32 K CB -0.391 32.115 32.500 0.010 0.000 0.714 32 K HN 0.743 nan 8.250 nan 0.000 0.440 33 S N -0.023 115.677 115.700 -0.001 0.000 2.383 33 S HA -0.144 4.330 4.470 0.006 0.000 0.229 33 S C 1.993 176.587 174.600 -0.010 0.000 1.030 33 S CA 1.822 60.017 58.200 -0.009 0.000 1.002 33 S CB -0.902 62.293 63.200 -0.008 0.000 0.829 33 S HN 0.378 nan 8.310 nan 0.000 0.467 34 T N 3.229 117.777 114.554 -0.010 0.000 2.674 34 T HA 0.077 4.431 4.350 0.006 0.000 0.265 34 T C 1.777 176.464 174.700 -0.022 0.000 1.039 34 T CA 1.486 63.575 62.100 -0.018 0.000 1.150 34 T CB -0.603 68.248 68.868 -0.029 0.000 0.864 34 T HN 0.282 nan 8.240 nan 0.000 0.427 35 L N 0.776 121.981 121.223 -0.030 0.000 2.131 35 L HA -0.119 4.225 4.340 0.006 0.000 0.210 35 L C 2.884 179.740 176.870 -0.024 0.000 1.092 35 L CA 1.174 55.992 54.840 -0.037 0.000 0.759 35 L CB -1.021 41.008 42.059 -0.050 0.000 0.903 35 L HN 0.339 nan 8.230 nan 0.000 0.435 36 T N -1.034 113.509 114.554 -0.018 0.000 2.788 36 T HA -0.165 4.189 4.350 0.006 0.000 0.268 36 T C 1.402 176.099 174.700 -0.006 0.000 1.044 36 T CA 1.341 63.434 62.100 -0.012 0.000 1.139 36 T CB -0.206 68.655 68.868 -0.012 0.000 0.867 36 T HN 0.331 nan 8.240 nan 0.000 0.454 37 D N 0.935 121.332 120.400 -0.005 0.000 2.084 37 D HA -0.076 4.568 4.640 0.006 0.000 0.194 37 D C 2.353 178.656 176.300 0.005 0.000 0.990 37 D CA 1.114 55.115 54.000 0.001 0.000 0.826 37 D CB -0.651 40.150 40.800 0.001 0.000 0.971 37 D HN 0.275 nan 8.370 nan 0.000 0.453 38 S N -0.213 115.489 115.700 0.003 0.000 2.402 38 S HA -0.118 4.356 4.470 0.006 0.000 0.233 38 S C 2.098 176.703 174.600 0.008 0.000 1.030 38 S CA 0.661 58.866 58.200 0.009 0.000 1.003 38 S CB -0.254 62.949 63.200 0.005 0.000 0.813 38 S HN 0.180 nan 8.310 nan 0.000 0.477 39 L N 0.468 121.692 121.223 0.002 0.000 2.056 39 L HA -0.038 4.306 4.340 0.006 0.000 0.207 39 L C 2.456 179.333 176.870 0.012 0.000 1.078 39 L CA 0.942 55.784 54.840 0.004 0.000 0.749 39 L CB -0.462 41.597 42.059 -0.000 0.000 0.901 39 L HN 0.224 nan 8.230 nan 0.000 0.433 40 V N -0.451 119.471 119.914 0.013 0.000 2.358 40 V HA -0.314 3.809 4.120 0.006 0.000 0.246 40 V C 2.334 178.437 176.094 0.015 0.000 1.047 40 V CA 1.849 64.159 62.300 0.017 0.000 1.035 40 V CB -0.423 31.410 31.823 0.017 0.000 0.658 40 V HN 0.516 nan 8.190 nan 0.000 0.452 41 Q N -0.360 119.449 119.800 0.014 0.000 2.364 41 Q HA -0.208 4.136 4.340 0.006 0.000 0.207 41 Q C 2.181 178.190 176.000 0.015 0.000 0.970 41 Q CA 1.339 57.151 55.803 0.015 0.000 0.888 41 Q CB 0.115 28.864 28.738 0.018 0.000 0.951 41 Q HN 0.541 nan 8.270 nan 0.000 0.469 42 R N -1.000 119.510 120.500 0.016 0.000 2.142 42 R HA 0.211 4.554 4.340 0.006 0.000 0.204 42 R C 0.960 177.273 176.300 0.022 0.000 1.059 42 R CA 1.356 57.468 56.100 0.019 0.000 1.055 42 R CB 0.004 30.316 30.300 0.019 0.000 0.976 42 R HN 0.104 nan 8.270 nan 0.000 0.483 43 A N -0.293 122.541 122.820 0.023 0.000 2.551 43 A HA 0.446 4.769 4.320 0.006 0.000 0.252 43 A C 0.633 178.240 177.584 0.037 0.000 1.199 43 A CA 0.002 52.064 52.037 0.041 0.000 0.972 43 A CB 0.137 19.161 19.000 0.041 0.000 1.153 43 A HN 0.336 nan 8.150 nan 0.000 0.559 44 G N 0.658 109.467 108.800 0.016 0.000 2.305 44 G HA2 0.394 4.357 3.960 0.006 0.000 0.243 44 G HA3 0.394 4.357 3.960 0.006 0.000 0.243 44 G C -0.032 174.849 174.900 -0.031 0.000 1.288 44 G CA 0.160 45.266 45.100 0.010 0.000 0.901 44 G HN 0.356 nan 8.290 nan 0.000 0.516 45 I N 1.710 122.264 120.570 -0.027 0.000 2.428 45 I HA 0.408 4.582 4.170 0.006 0.000 0.296 45 I C 0.162 176.237 176.117 -0.070 0.000 0.985 45 I CA -0.400 60.837 61.300 -0.105 0.000 1.260 45 I CB 1.544 39.516 38.000 -0.047 0.000 1.389 45 I HN 0.219 nan 8.210 nan 0.000 0.484 46 I N 3.641 124.133 120.570 -0.131 0.000 2.647 46 I HA 0.203 4.377 4.170 0.006 0.000 0.295 46 I C -0.012 176.061 176.117 -0.074 0.000 1.078 46 I CA -0.503 60.743 61.300 -0.090 0.000 1.048 46 I CB 2.460 40.397 38.000 -0.105 0.000 1.239 46 I HN 0.594 nan 8.210 nan 0.000 0.421 47 S N 4.954 120.614 115.700 -0.065 0.000 2.537 47 S HA 0.708 5.182 4.470 0.006 0.000 0.275 47 S C 0.441 175.012 174.600 -0.048 0.000 1.272 47 S CA -0.517 57.664 58.200 -0.033 0.000 1.050 47 S CB 1.475 64.658 63.200 -0.029 0.000 0.961 47 S HN 0.847 nan 8.310 nan 0.000 0.496 68 I N 4.004 124.621 120.570 0.079 0.000 2.281 68 I HA 0.301 4.475 4.170 0.006 0.000 0.293 68 I C 0.838 176.953 176.117 -0.003 0.000 1.085 68 I CA -0.234 61.080 61.300 0.025 0.000 1.257 68 I CB 1.125 39.156 38.000 0.052 0.000 1.430 68 I HN 0.224 nan 8.210 nan 0.000 0.489 69 T N 5.343 119.851 114.554 -0.076 0.000 2.918 69 T HA 0.756 5.110 4.350 0.006 0.000 0.283 69 T C -0.215 174.345 174.700 -0.233 0.000 1.001 69 T CA -0.657 61.337 62.100 -0.176 0.000 1.041 69 T CB 1.826 70.550 68.868 -0.241 0.000 1.028 69 T HN 0.469 nan 8.240 nan 0.000 0.511 70 I N -1.908 118.509 120.570 -0.255 0.000 2.934 70 I HA 0.588 4.762 4.170 0.006 0.000 0.306 70 I C -0.373 175.624 176.117 -0.201 0.000 1.110 70 I CA -1.614 59.553 61.300 -0.222 0.000 1.019 70 I CB 2.244 40.147 38.000 -0.162 0.000 1.227 70 I HN 0.644 nan 8.210 nan 0.000 0.434 71 K N 2.900 123.207 120.400 -0.154 0.000 2.416 71 K HA 0.085 4.408 4.320 0.006 0.000 0.283 71 K C 0.169 176.684 176.600 -0.142 0.000 1.037 71 K CA 0.105 56.311 56.287 -0.135 0.000 0.995 71 K CB 0.736 33.181 32.500 -0.093 0.000 0.938 71 K HN 0.767 nan 8.250 nan 0.000 0.475 72 S N 3.290 118.904 115.700 -0.144 0.000 2.629 72 S HA -0.021 4.453 4.470 0.006 0.000 0.302 72 S C 0.463 174.972 174.600 -0.152 0.000 1.244 72 S CA 0.096 58.218 58.200 -0.130 0.000 1.098 72 S CB 0.209 63.345 63.200 -0.106 0.000 0.858 72 S HN 0.725 nan 8.310 nan 0.000 0.502 73 T N 3.857 118.296 114.554 -0.192 0.000 2.964 73 T HA 0.523 4.877 4.350 0.006 0.000 0.250 73 T C 0.098 174.631 174.700 -0.279 0.000 0.982 73 T CA 0.411 62.305 62.100 -0.343 0.000 0.959 73 T CB 0.553 69.021 68.868 -0.667 0.000 1.141 73 T HN 0.802 nan 8.240 nan 0.000 0.494 74 A N 1.040 123.797 122.820 -0.104 0.000 2.566 74 A HA 0.759 5.083 4.320 0.006 0.000 0.297 74 A C -1.754 175.871 177.584 0.067 0.000 1.059 74 A CA -0.748 51.312 52.037 0.040 0.000 0.691 74 A CB 1.046 20.184 19.000 0.230 0.000 1.282 74 A HN 0.285 nan 8.150 nan 0.000 0.401 75 I N 1.620 122.231 120.570 0.068 0.000 2.530 75 I HA 0.481 4.654 4.170 0.006 0.000 0.297 75 I C 0.376 176.544 176.117 0.085 0.000 1.011 75 I CA -0.668 60.673 61.300 0.069 0.000 1.107 75 I CB 2.406 40.433 38.000 0.045 0.000 1.285 75 I HN 0.662 nan 8.210 nan 0.000 0.436 76 S N 6.267 122.022 115.700 0.092 0.000 2.442 76 S HA 0.776 5.249 4.470 0.006 0.000 0.297 76 S C -0.776 173.884 174.600 0.099 0.000 1.131 76 S CA -0.742 57.521 58.200 0.104 0.000 1.092 76 S CB 1.417 64.688 63.200 0.120 0.000 0.998 76 S HN 0.326 nan 8.310 nan 0.000 0.478 77 L N 2.798 124.090 121.223 0.115 0.000 2.362 77 L HA 0.556 4.900 4.340 0.006 0.000 0.271 77 L C -0.914 176.076 176.870 0.199 0.000 1.002 77 L CA -0.738 54.172 54.840 0.117 0.000 0.818 77 L CB 1.557 43.660 42.059 0.074 0.000 1.298 77 L HN 0.848 nan 8.230 nan 0.000 0.420 78 Y N 1.635 121.973 120.300 0.062 0.000 2.341 78 Y HA 0.693 5.247 4.550 0.007 0.000 0.338 78 Y C -0.448 175.516 175.900 0.107 0.000 0.965 78 Y CA -0.320 57.854 58.100 0.122 0.000 1.108 78 Y CB 1.891 40.443 38.460 0.153 0.000 1.180 78 Y HN 0.564 nan 8.280 nan 0.000 0.458 79 S N 4.926 120.348 115.700 -0.464 0.000 2.500 79 S HA 0.453 4.927 4.470 0.006 0.000 0.301 79 S C -1.481 172.821 174.600 -0.496 0.000 1.092 79 S CA -0.661 57.316 58.200 -0.371 0.000 1.030 79 S CB 1.121 64.219 63.200 -0.170 0.000 1.031 79 S HN 0.824 nan 8.310 nan 0.000 0.483 80 E N 4.015 124.038 120.200 -0.295 0.000 2.176 80 E HA 0.547 4.901 4.350 0.006 0.000 0.267 80 E C -1.003 175.586 176.600 -0.019 0.000 0.893 80 E CA -0.438 55.890 56.400 -0.121 0.000 0.761 80 E CB 1.085 30.784 29.700 -0.002 0.000 1.133 80 E HN 0.649 nan 8.360 nan 0.000 0.409 81 M N 1.524 121.153 119.600 0.050 0.000 2.727 81 M HA 0.343 4.826 4.480 0.006 0.000 0.300 81 M C 0.003 176.334 176.300 0.053 0.000 1.246 81 M CA -1.059 54.255 55.300 0.024 0.000 0.835 81 M CB 2.086 34.667 32.600 -0.033 0.000 1.755 81 M HN 0.533 nan 8.290 nan 0.000 0.473 82 S N -0.705 115.011 115.700 0.027 0.000 2.632 82 S HA 0.182 4.655 4.470 0.006 0.000 0.267 82 S C 0.065 174.687 174.600 0.038 0.000 1.276 82 S CA -0.368 57.850 58.200 0.030 0.000 0.998 82 S CB 0.667 63.876 63.200 0.015 0.000 0.953 82 S HN 0.670 nan 8.310 nan 0.000 0.547 83 D N 0.713 121.133 120.400 0.034 0.000 2.178 83 D HA -0.059 4.585 4.640 0.006 0.000 0.201 83 D C 1.682 177.997 176.300 0.025 0.000 0.980 83 D CA 1.438 55.458 54.000 0.033 0.000 0.842 83 D CB -0.137 40.678 40.800 0.025 0.000 0.948 83 D HN 0.763 nan 8.370 nan 0.000 0.472 84 E N 0.404 120.614 120.200 0.016 0.000 2.106 84 E HA -0.138 4.216 4.350 0.006 0.000 0.192 84 E C 1.298 177.899 176.600 0.003 0.000 0.984 84 E CA 0.860 57.266 56.400 0.009 0.000 0.806 84 E CB 0.036 29.740 29.700 0.006 0.000 0.750 84 E HN 0.314 nan 8.360 nan 0.000 0.458 85 D N 0.563 120.963 120.400 -0.001 0.000 2.117 85 D HA -0.125 4.519 4.640 0.006 0.000 0.197 85 D C 2.071 178.359 176.300 -0.020 0.000 0.987 85 D CA 0.862 54.849 54.000 -0.022 0.000 0.829 85 D CB -0.213 40.564 40.800 -0.037 0.000 0.961 85 D HN 0.031 nan 8.370 nan 0.000 0.460 86 V N 1.227 121.157 119.914 0.026 0.000 2.720 86 V HA -0.197 3.927 4.120 0.006 0.000 0.256 86 V C 2.173 178.292 176.094 0.041 0.000 1.082 86 V CA 1.323 63.667 62.300 0.074 0.000 1.101 86 V CB -0.449 31.454 31.823 0.134 0.000 0.693 86 V HN 0.197 nan 8.190 nan 0.000 0.479 87 K N -0.094 120.317 120.400 0.018 0.000 2.296 87 K HA -0.081 4.242 4.320 0.006 0.000 0.200 87 K C 1.967 178.563 176.600 -0.007 0.000 1.048 87 K CA 0.904 57.197 56.287 0.009 0.000 0.966 87 K CB -0.049 32.455 32.500 0.007 0.000 0.754 87 K HN 0.572 nan 8.250 nan 0.000 0.466 88 E N 0.889 121.074 120.200 -0.025 0.000 2.274 88 E HA -0.034 4.319 4.350 0.006 0.000 0.194 88 E C 0.305 176.861 176.600 -0.073 0.000 0.996 88 E CA 0.246 56.618 56.400 -0.047 0.000 0.840 88 E CB 0.023 29.683 29.700 -0.066 0.000 0.772 88 E HN 0.277 nan 8.360 nan 0.000 0.491 89 I N 2.708 123.237 120.570 -0.068 0.000 2.664 89 I HA -0.066 4.108 4.170 0.006 0.000 0.284 89 I C 0.724 176.826 176.117 -0.025 0.000 1.154 89 I CA 0.537 61.796 61.300 -0.068 0.000 1.402 89 I CB 0.297 38.288 38.000 -0.016 0.000 1.395 89 I HN -0.153 nan 8.210 nan 0.000 0.545 90 K N 7.892 128.276 120.400 -0.027 0.000 3.100 90 K HA 0.110 4.434 4.320 0.006 0.000 0.256 90 K C -0.163 176.450 176.600 0.022 0.000 1.146 90 K CA -0.095 56.195 56.287 0.004 0.000 1.233 90 K CB -0.149 32.358 32.500 0.012 0.000 1.226 90 K HN 0.659 nan 8.250 nan 0.000 0.442 91 Q N -1.014 118.802 119.800 0.026 0.000 2.472 91 Q HA 0.325 4.669 4.340 0.006 0.000 0.281 91 Q C -1.295 174.728 176.000 0.038 0.000 0.997 91 Q CA -1.288 54.538 55.803 0.038 0.000 0.828 91 Q CB 1.083 29.850 28.738 0.049 0.000 1.443 91 Q HN -0.215 nan 8.270 nan 0.000 0.390 92 K N 1.111 121.530 120.400 0.031 0.000 2.524 92 K HA 0.220 4.544 4.320 0.006 0.000 0.279 92 K C -0.981 175.636 176.600 0.028 0.000 0.993 92 K CA 1.040 57.340 56.287 0.022 0.000 1.030 92 K CB 0.446 32.952 32.500 0.011 0.000 0.891 92 K HN 0.712 nan 8.250 nan 0.000 0.488 93 T N 2.592 117.158 114.554 0.020 0.000 2.865 93 T HA 0.419 4.773 4.350 0.006 0.000 0.294 93 T C -1.500 173.178 174.700 -0.036 0.000 1.119 93 T CA -0.821 61.284 62.100 0.008 0.000 1.007 93 T CB 1.477 70.392 68.868 0.078 0.000 1.225 93 T HN 0.542 nan 8.240 nan 0.000 0.515 94 D N -0.312 120.029 120.400 -0.098 0.000 2.354 94 D HA 0.501 5.145 4.640 0.006 0.000 0.230 94 D C 0.084 176.295 176.300 -0.147 0.000 1.361 94 D CA 0.908 54.850 54.000 -0.097 0.000 0.992 94 D CB 0.223 40.972 40.800 -0.085 0.000 1.409 94 D HN 1.051 nan 8.370 nan 0.000 0.573 95 G N 2.978 111.717 108.800 -0.103 0.000 2.710 95 G HA2 -0.198 3.766 3.960 0.006 0.000 0.668 95 G HA3 -0.198 3.766 3.960 0.006 0.000 0.668 95 G C 0.178 175.008 174.900 -0.117 0.000 1.320 95 G CA -0.507 44.533 45.100 -0.100 0.000 0.860 95 G HN 0.429 nan 8.290 nan 0.000 0.538 96 N N -0.196 118.478 118.700 -0.043 0.000 2.230 96 N HA 0.214 4.958 4.740 0.006 0.000 0.202 96 N C 0.444 175.996 175.510 0.070 0.000 1.119 96 N CA 0.606 53.700 53.050 0.073 0.000 0.851 96 N CB 0.763 39.308 38.487 0.097 0.000 0.990 96 N HN 0.518 nan 8.380 nan 0.000 0.497 97 S N 0.514 116.147 115.700 -0.112 0.000 2.554 97 S HA 0.531 5.005 4.470 0.006 0.000 0.278 97 S C -0.567 173.821 174.600 -0.354 0.000 1.242 97 S CA -0.283 57.892 58.200 -0.042 0.000 1.051 97 S CB 0.703 64.001 63.200 0.163 0.000 0.986 97 S HN 0.047 nan 8.310 nan 0.000 0.502 98 F N 1.803 121.692 119.950 -0.102 0.000 2.557 98 F HA 0.439 4.970 4.527 0.007 0.000 0.316 98 F C -0.578 175.237 175.800 0.025 0.000 1.141 98 F CA -0.885 57.086 58.000 -0.049 0.000 0.922 98 F CB 1.368 40.311 39.000 -0.095 0.000 1.194 98 F HN 0.318 nan 8.300 nan 0.000 0.443 99 L N 5.507 126.858 121.223 0.213 0.000 2.257 99 L HA 0.612 4.955 4.340 0.006 0.000 0.290 99 L C -0.866 176.100 176.870 0.160 0.000 1.044 99 L CA -0.268 54.698 54.840 0.209 0.000 0.810 99 L CB 0.366 42.519 42.059 0.157 0.000 1.193 99 L HN 0.456 nan 8.230 nan 0.000 0.425 100 I N 5.313 125.970 120.570 0.146 0.000 2.362 100 I HA 0.338 4.512 4.170 0.006 0.000 0.289 100 I C -0.376 175.796 176.117 0.091 0.000 0.994 100 I CA -0.557 60.804 61.300 0.101 0.000 1.158 100 I CB 1.174 39.218 38.000 0.074 0.000 1.315 100 I HN 0.538 nan 8.210 nan 0.000 0.451 101 N N 6.712 125.457 118.700 0.076 0.000 2.527 101 N HA 0.213 4.957 4.740 0.006 0.000 0.236 101 N C -0.835 174.720 175.510 0.074 0.000 0.999 101 N CA -0.536 52.562 53.050 0.081 0.000 0.935 101 N CB 1.926 40.456 38.487 0.073 0.000 1.132 101 N HN 0.360 nan 8.380 nan 0.000 0.511 102 L N 4.754 126.020 121.223 0.071 0.000 2.334 102 L HA 0.366 4.710 4.340 0.006 0.000 0.286 102 L C -0.654 176.256 176.870 0.066 0.000 1.108 102 L CA -0.548 54.325 54.840 0.055 0.000 0.875 102 L CB -0.177 41.905 42.059 0.038 0.000 1.246 102 L HN 0.269 nan 8.230 nan 0.000 0.439 103 I N 4.259 124.876 120.570 0.079 0.000 2.396 103 I HA 0.112 4.286 4.170 0.006 0.000 0.289 103 I C 0.468 176.607 176.117 0.037 0.000 1.056 103 I CA -0.083 61.276 61.300 0.098 0.000 1.365 103 I CB 0.495 38.586 38.000 0.152 0.000 1.407 103 I HN 0.564 nan 8.210 nan 0.000 0.509 104 D N 4.553 124.947 120.400 -0.010 0.000 2.488 104 D HA 0.087 4.731 4.640 0.006 0.000 0.238 104 D C -0.502 175.780 176.300 -0.030 0.000 1.138 104 D CA 0.663 54.638 54.000 -0.042 0.000 0.873 104 D CB 0.670 41.414 40.800 -0.092 0.000 1.183 104 D HN 0.479 nan 8.370 nan 0.000 0.458 105 S N 2.791 118.473 115.700 -0.030 0.000 2.568 105 S HA 0.589 5.063 4.470 0.006 0.000 0.302 105 S C -2.360 172.213 174.600 -0.046 0.000 1.082 105 S CA -1.202 56.987 58.200 -0.019 0.000 1.009 105 S CB 1.718 64.913 63.200 -0.009 0.000 1.069 105 S HN 0.436 nan 8.310 nan 0.000 0.500 106 P HA 0.186 nan 4.420 nan 0.000 0.270 106 P C 0.779 178.043 177.300 -0.061 0.000 1.223 106 P CA -0.168 62.878 63.100 -0.089 0.000 0.785 106 P CB 0.272 31.984 31.700 0.021 0.000 0.923 107 G N -0.631 108.106 108.800 -0.105 0.000 2.623 107 G HA2 -0.044 3.920 3.960 0.006 0.000 0.214 107 G HA3 -0.044 3.920 3.960 0.006 0.000 0.214 107 G C 0.303 175.272 174.900 0.115 0.000 1.138 107 G CA 0.720 45.808 45.100 -0.020 0.000 0.794 107 G HN 0.590 nan 8.290 nan 0.000 0.535 108 H N -1.213 117.961 119.070 0.174 0.000 3.046 108 H HA 0.200 4.760 4.556 0.006 0.000 0.361 108 H C 0.591 176.077 175.328 0.263 0.000 1.235 108 H CA -0.633 55.533 56.048 0.197 0.000 1.146 108 H CB 2.189 32.092 29.762 0.236 0.000 1.859 108 H HN -0.177 nan 8.280 nan 0.000 0.548 109 V N 2.356 122.189 119.914 -0.134 0.000 2.392 109 V HA -0.259 3.864 4.120 0.006 0.000 0.249 109 V C 1.699 177.872 176.094 0.131 0.000 1.059 109 V CA 2.248 64.591 62.300 0.073 0.000 1.051 109 V CB -0.310 31.513 31.823 0.000 0.000 0.658 109 V HN 0.716 nan 8.190 nan 0.000 0.455 110 D N 0.098 120.595 120.400 0.162 0.000 2.191 110 D HA -0.199 4.445 4.640 0.006 0.000 0.195 110 D C 1.098 177.237 176.300 -0.268 0.000 1.003 110 D CA 1.383 55.302 54.000 -0.136 0.000 0.867 110 D CB -0.385 40.244 40.800 -0.286 0.000 0.926 110 D HN 0.546 nan 8.370 nan 0.000 0.450 111 F N 1.170 121.155 119.950 0.058 0.000 2.727 111 F HA 0.087 4.617 4.527 0.006 0.000 0.349 111 F C 1.857 177.681 175.800 0.040 0.000 1.172 111 F CA -0.295 57.733 58.000 0.047 0.000 1.355 111 F CB -0.508 38.538 39.000 0.077 0.000 1.546 111 F HN -0.230 nan 8.300 nan 0.000 0.596 112 S N -0.476 115.228 115.700 0.007 0.000 2.359 112 S HA -0.218 4.255 4.470 0.006 0.000 0.224 112 S C 2.324 176.989 174.600 0.109 0.000 1.035 112 S CA 1.650 59.804 58.200 -0.076 0.000 1.018 112 S CB -0.277 62.456 63.200 -0.778 0.000 0.876 112 S HN 0.517 nan 8.310 nan 0.000 0.448 113 S N 1.784 117.512 115.700 0.047 0.000 2.400 113 S HA -0.178 4.296 4.470 0.006 0.000 0.232 113 S C 1.911 176.673 174.600 0.270 0.000 1.025 113 S CA 1.488 59.732 58.200 0.073 0.000 0.993 113 S CB -0.347 62.835 63.200 -0.030 0.000 0.808 113 S HN 0.827 nan 8.310 nan 0.000 0.478 114 E N 0.427 120.806 120.200 0.298 0.000 2.447 114 E HA 0.099 4.453 4.350 0.006 0.000 0.195 114 E C 1.560 178.289 176.600 0.215 0.000 1.028 114 E CA 0.278 56.841 56.400 0.272 0.000 0.876 114 E CB -0.182 29.643 29.700 0.209 0.000 0.885 114 E HN 0.275 nan 8.360 nan 0.000 0.500 115 V N 1.773 121.830 119.914 0.238 0.000 2.427 115 V HA -0.205 3.918 4.120 0.006 0.000 0.248 115 V C 2.176 178.376 176.094 0.177 0.000 1.051 115 V CA 2.229 64.656 62.300 0.211 0.000 1.048 115 V CB -0.506 31.499 31.823 0.303 0.000 0.666 115 V HN 0.388 nan 8.190 nan 0.000 0.456 116 T N 0.357 115.039 114.554 0.214 0.000 2.857 116 T HA -0.051 4.303 4.350 0.006 0.000 0.266 116 T C 2.115 176.915 174.700 0.168 0.000 1.048 116 T CA 1.303 63.501 62.100 0.163 0.000 1.139 116 T CB -0.368 68.603 68.868 0.172 0.000 0.874 116 T HN 0.536 nan 8.240 nan 0.000 0.455 117 A N 1.696 124.652 122.820 0.228 0.000 1.908 117 A HA 0.058 4.382 4.320 0.006 0.000 0.218 117 A C 2.622 180.343 177.584 0.228 0.000 1.181 117 A CA 1.989 54.190 52.037 0.273 0.000 0.627 117 A CB -1.141 18.047 19.000 0.314 0.000 0.818 117 A HN 0.518 nan 8.150 nan 0.000 0.445 118 A N -0.304 122.624 122.820 0.180 0.000 1.855 118 A HA 0.018 4.342 4.320 0.006 0.000 0.215 118 A C 2.154 179.809 177.584 0.118 0.000 1.191 118 A CA 1.387 53.517 52.037 0.155 0.000 0.613 118 A CB -0.691 18.374 19.000 0.108 0.000 0.829 118 A HN 0.461 nan 8.150 nan 0.000 0.442 119 L N -0.967 120.308 121.223 0.086 0.000 2.079 119 L HA -0.210 4.134 4.340 0.006 0.000 0.210 119 L C 2.759 179.658 176.870 0.048 0.000 1.081 119 L CA 1.828 56.699 54.840 0.052 0.000 0.752 119 L CB -0.472 41.600 42.059 0.022 0.000 0.896 119 L HN 0.461 nan 8.230 nan 0.000 0.433 120 R N 0.456 120.984 120.500 0.047 0.000 2.152 120 R HA -0.116 4.228 4.340 0.006 0.000 0.232 120 R C 1.732 178.031 176.300 -0.001 0.000 1.117 120 R CA 1.413 57.503 56.100 -0.016 0.000 0.981 120 R CB 0.038 30.296 30.300 -0.071 0.000 0.870 120 R HN 0.409 nan 8.270 nan 0.000 0.451 121 V N -1.751 118.199 119.914 0.059 0.000 3.444 121 V HA 0.239 4.363 4.120 0.006 0.000 0.308 121 V C 0.203 176.333 176.094 0.060 0.000 1.371 121 V CA 0.113 62.464 62.300 0.085 0.000 1.141 121 V CB -0.180 31.697 31.823 0.090 0.000 1.037 121 V HN 0.260 nan 8.190 nan 0.000 0.433 122 T N -3.656 110.939 114.554 0.068 0.000 2.912 122 T HA 0.583 4.936 4.350 0.006 0.000 0.288 122 T C -0.034 174.699 174.700 0.055 0.000 1.030 122 T CA -0.324 61.807 62.100 0.052 0.000 1.020 122 T CB 2.460 71.360 68.868 0.053 0.000 1.056 122 T HN 0.137 nan 8.240 nan 0.000 0.480 123 D N 0.941 121.368 120.400 0.046 0.000 2.455 123 D HA 0.245 4.889 4.640 0.006 0.000 0.228 123 D C 1.009 177.351 176.300 0.070 0.000 1.070 123 D CA 0.326 54.362 54.000 0.061 0.000 0.881 123 D CB 0.531 41.354 40.800 0.038 0.000 1.087 123 D HN 0.812 nan 8.370 nan 0.000 0.498 124 G N -0.233 108.595 108.800 0.047 0.000 2.537 124 G HA2 0.665 4.629 3.960 0.006 0.000 0.308 124 G HA3 0.665 4.629 3.960 0.006 0.000 0.308 124 G C -1.448 173.462 174.900 0.017 0.000 1.237 124 G CA -0.541 44.580 45.100 0.036 0.000 0.968 124 G HN 0.132 nan 8.290 nan 0.000 0.481 125 A N 0.174 122.993 122.820 -0.001 0.000 2.437 125 A HA 0.580 4.904 4.320 0.006 0.000 0.293 125 A C -1.342 176.220 177.584 -0.037 0.000 1.038 125 A CA -0.580 51.447 52.037 -0.017 0.000 0.708 125 A CB 1.758 20.744 19.000 -0.023 0.000 1.251 125 A HN 1.314 nan 8.150 nan 0.000 0.409 126 L N 3.823 125.022 121.223 -0.040 0.000 2.295 126 L HA 0.544 4.888 4.340 0.006 0.000 0.288 126 L C -0.739 176.092 176.870 -0.066 0.000 1.079 126 L CA 0.038 54.842 54.840 -0.061 0.000 0.830 126 L CB 0.720 42.746 42.059 -0.056 0.000 1.200 126 L HN 0.397 nan 8.230 nan 0.000 0.438 127 V N 6.417 126.281 119.914 -0.084 0.000 2.385 127 V HA 0.286 4.410 4.120 0.006 0.000 0.269 127 V C 0.109 176.153 176.094 -0.084 0.000 1.043 127 V CA -0.613 61.640 62.300 -0.079 0.000 0.906 127 V CB 1.208 32.979 31.823 -0.086 0.000 0.995 127 V HN 0.492 nan 8.190 nan 0.000 0.467 128 V N 6.839 126.722 119.914 -0.051 0.000 2.383 128 V HA 0.491 4.615 4.120 0.006 0.000 0.275 128 V C 0.182 176.298 176.094 0.035 0.000 1.036 128 V CA -0.295 61.987 62.300 -0.030 0.000 0.889 128 V CB 1.388 33.210 31.823 -0.001 0.000 0.985 128 V HN 0.749 nan 8.190 nan 0.000 0.459 129 V N 1.418 121.343 119.914 0.018 0.000 3.113 129 V HA 0.758 4.882 4.120 0.006 0.000 0.316 129 V C -0.674 175.454 176.094 0.055 0.000 1.125 129 V CA -0.880 61.474 62.300 0.089 0.000 1.026 129 V CB 2.216 34.051 31.823 0.020 0.000 1.080 129 V HN 0.685 nan 8.190 nan 0.000 0.444 130 D N 0.563 120.990 120.400 0.045 0.000 2.193 130 D HA 0.478 5.122 4.640 0.006 0.000 0.249 130 D C 1.043 177.342 176.300 -0.001 0.000 1.034 130 D CA 0.194 54.113 54.000 -0.135 0.000 0.902 130 D CB 2.202 42.795 40.800 -0.345 0.000 1.182 130 D HN 0.723 nan 8.370 nan 0.000 0.436 131 T N 2.280 116.851 114.554 0.028 0.000 2.668 131 T HA -0.073 4.280 4.350 0.006 0.000 0.262 131 T C 1.861 176.605 174.700 0.073 0.000 1.045 131 T CA 0.975 63.164 62.100 0.148 0.000 1.152 131 T CB -0.165 68.822 68.868 0.198 0.000 0.864 131 T HN 0.412 nan 8.240 nan 0.000 0.419 132 I N 0.467 121.050 120.570 0.021 0.000 2.296 132 I HA -0.017 4.157 4.170 0.006 0.000 0.242 132 I C 2.421 178.544 176.117 0.010 0.000 1.087 132 I CA 1.177 62.483 61.300 0.009 0.000 1.393 132 I CB -0.262 37.739 38.000 0.002 0.000 1.093 132 I HN 0.238 nan 8.210 nan 0.000 0.421 133 E N 0.732 120.931 120.200 -0.002 0.000 2.481 133 E HA 0.075 4.429 4.350 0.006 0.000 0.195 133 E C 1.349 177.976 176.600 0.045 0.000 1.047 133 E CA 0.448 56.861 56.400 0.021 0.000 0.867 133 E CB 0.120 29.838 29.700 0.030 0.000 0.858 133 E HN 0.563 nan 8.360 nan 0.000 0.513 134 G N 0.983 109.812 108.800 0.047 0.000 2.591 134 G HA2 -0.350 3.614 3.960 0.006 0.000 0.298 134 G HA3 -0.350 3.614 3.960 0.006 0.000 0.298 134 G C 0.067 175.014 174.900 0.077 0.000 1.195 134 G CA 0.069 45.205 45.100 0.060 0.000 0.989 134 G HN 0.156 nan 8.290 nan 0.000 0.551 135 V N 1.836 121.782 119.914 0.053 0.000 2.350 135 V HA 0.465 4.589 4.120 0.006 0.000 0.276 135 V C 1.402 177.513 176.094 0.029 0.000 1.028 135 V CA -0.313 62.011 62.300 0.041 0.000 0.860 135 V CB 0.155 31.985 31.823 0.013 0.000 0.990 135 V HN 1.323 nan 8.190 nan 0.000 0.453 136 C N 4.390 123.700 119.300 0.016 0.000 2.470 136 C HA 0.530 4.993 4.460 0.006 0.000 0.350 136 C C 1.873 176.851 174.990 -0.020 0.000 1.341 136 C CA -0.399 58.607 59.018 -0.019 0.000 2.440 136 C CB 0.470 28.151 27.740 -0.100 0.000 2.295 136 C HN 0.620 nan 8.230 nan 0.000 0.645 137 V N 2.098 122.004 119.914 -0.013 0.000 2.343 137 V HA -0.236 3.888 4.120 0.006 0.000 0.247 137 V C 2.847 178.929 176.094 -0.019 0.000 1.051 137 V CA 2.678 64.973 62.300 -0.008 0.000 1.036 137 V CB -1.351 30.475 31.823 0.004 0.000 0.654 137 V HN 1.055 nan 8.190 nan 0.000 0.451 138 Q N -0.053 119.737 119.800 -0.016 0.000 2.096 138 Q HA -0.146 4.198 4.340 0.006 0.000 0.197 138 Q C 1.994 177.957 176.000 -0.063 0.000 0.964 138 Q CA 2.125 57.904 55.803 -0.040 0.000 0.838 138 Q CB -0.830 27.863 28.738 -0.074 0.000 0.906 138 Q HN 0.459 nan 8.270 nan 0.000 0.444 139 T N 1.011 115.532 114.554 -0.056 0.000 2.833 139 T HA -0.204 4.150 4.350 0.006 0.000 0.269 139 T C 1.520 176.174 174.700 -0.076 0.000 1.054 139 T CA 1.537 63.596 62.100 -0.069 0.000 1.135 139 T CB -0.167 68.664 68.868 -0.061 0.000 0.869 139 T HN 0.549 nan 8.240 nan 0.000 0.466 140 E N 0.358 120.519 120.200 -0.065 0.000 2.072 140 E HA -0.131 4.222 4.350 0.006 0.000 0.191 140 E C 2.124 178.649 176.600 -0.125 0.000 0.985 140 E CA 1.278 57.635 56.400 -0.072 0.000 0.801 140 E CB -0.055 29.620 29.700 -0.041 0.000 0.750 140 E HN 0.331 nan 8.360 nan 0.000 0.452 141 T N 0.515 114.995 114.554 -0.124 0.000 2.708 141 T HA -0.120 4.234 4.350 0.006 0.000 0.266 141 T C 1.923 176.449 174.700 -0.290 0.000 1.037 141 T CA 1.414 63.405 62.100 -0.181 0.000 1.146 141 T CB -0.189 68.630 68.868 -0.082 0.000 0.865 141 T HN 0.036 nan 8.240 nan 0.000 0.435 142 V N 1.650 121.424 119.914 -0.234 0.000 2.332 142 V HA -0.126 3.998 4.120 0.006 0.000 0.248 142 V C 2.419 178.370 176.094 -0.239 0.000 1.055 142 V CA 1.252 63.392 62.300 -0.267 0.000 1.038 142 V CB -0.729 31.004 31.823 -0.149 0.000 0.651 142 V HN 0.312 nan 8.190 nan 0.000 0.450 143 L N 0.130 121.245 121.223 -0.180 0.000 2.042 143 L HA -0.155 4.189 4.340 0.006 0.000 0.210 143 L C 2.573 179.335 176.870 -0.180 0.000 1.076 143 L CA 1.884 56.636 54.840 -0.146 0.000 0.749 143 L CB -0.755 41.241 42.059 -0.105 0.000 0.893 143 L HN 0.183 nan 8.230 nan 0.000 0.432 144 R N -1.054 119.284 120.500 -0.270 0.000 2.094 144 R HA -0.211 4.133 4.340 0.006 0.000 0.239 144 R C 2.243 178.362 176.300 -0.302 0.000 1.137 144 R CA 1.849 57.718 56.100 -0.385 0.000 0.943 144 R CB -0.407 29.523 30.300 -0.616 0.000 0.850 144 R HN 0.493 nan 8.270 nan 0.000 0.433 145 Q N -0.119 119.469 119.800 -0.354 0.000 2.061 145 Q HA -0.130 4.214 4.340 0.006 0.000 0.204 145 Q C 2.166 178.057 176.000 -0.181 0.000 0.984 145 Q CA 1.840 57.453 55.803 -0.318 0.000 0.846 145 Q CB -0.515 27.918 28.738 -0.507 0.000 0.902 145 Q HN 0.366 nan 8.270 nan 0.000 0.421 146 A N 0.771 123.497 122.820 -0.158 0.000 1.940 146 A HA -0.158 4.165 4.320 0.006 0.000 0.219 146 A C 2.277 179.827 177.584 -0.056 0.000 1.176 146 A CA 1.273 53.259 52.037 -0.086 0.000 0.631 146 A CB -0.718 18.237 19.000 -0.076 0.000 0.814 146 A HN 0.322 nan 8.150 nan 0.000 0.446 147 L N -1.020 120.163 121.223 -0.067 0.000 2.109 147 L HA -0.058 4.286 4.340 0.006 0.000 0.207 147 L C 2.729 179.588 176.870 -0.019 0.000 1.086 147 L CA 0.900 55.722 54.840 -0.030 0.000 0.760 147 L CB -0.613 41.444 42.059 -0.004 0.000 0.910 147 L HN 0.482 nan 8.230 nan 0.000 0.437 148 G N -0.962 107.813 108.800 -0.042 0.000 2.509 148 G HA2 -0.167 3.797 3.960 0.006 0.000 0.218 148 G HA3 -0.167 3.797 3.960 0.006 0.000 0.218 148 G C 1.362 176.253 174.900 -0.016 0.000 1.124 148 G CA 0.234 45.317 45.100 -0.028 0.000 0.776 148 G HN 0.256 nan 8.290 nan 0.000 0.547 149 E N 0.179 120.370 120.200 -0.016 0.000 2.479 149 E HA 0.073 4.427 4.350 0.006 0.000 0.193 149 E C 0.453 177.081 176.600 0.047 0.000 1.049 149 E CA -0.236 56.168 56.400 0.006 0.000 0.870 149 E CB 0.156 29.855 29.700 -0.003 0.000 0.944 149 E HN 0.382 nan 8.360 nan 0.000 0.492 150 R N 0.336 120.864 120.500 0.046 0.000 3.246 150 R HA -0.151 4.192 4.340 0.006 0.000 0.260 150 R C -0.387 175.997 176.300 0.139 0.000 1.034 150 R CA 0.395 56.547 56.100 0.086 0.000 0.691 150 R CB -2.428 27.979 30.300 0.179 0.000 1.186 150 R HN 0.150 nan 8.270 nan 0.000 0.416 151 I N 0.787 121.397 120.570 0.067 0.000 2.377 151 I HA 0.242 4.416 4.170 0.006 0.000 0.293 151 I C 0.660 176.798 176.117 0.034 0.000 0.987 151 I CA -0.701 60.639 61.300 0.067 0.000 1.185 151 I CB 1.802 39.821 38.000 0.032 0.000 1.341 151 I HN 0.026 nan 8.210 nan 0.000 0.455 152 K N 7.531 127.962 120.400 0.051 0.000 2.276 152 K HA 0.421 4.745 4.320 0.006 0.000 0.283 152 K C -2.556 174.038 176.600 -0.009 0.000 1.044 152 K CA -1.414 54.884 56.287 0.018 0.000 0.944 152 K CB 1.128 33.656 32.500 0.047 0.000 1.012 152 K HN 0.192 nan 8.250 nan 0.000 0.472 153 P HA 0.197 nan 4.420 nan 0.000 0.296 153 P C -1.382 175.860 177.300 -0.096 0.000 1.301 153 P CA -0.751 62.308 63.100 -0.069 0.000 0.862 153 P CB 1.499 33.146 31.700 -0.087 0.000 1.046 154 V N 0.376 120.227 119.914 -0.106 0.000 2.709 154 V HA 0.652 4.776 4.120 0.006 0.000 0.308 154 V C -0.588 175.401 176.094 -0.174 0.000 1.062 154 V CA -0.973 61.236 62.300 -0.151 0.000 0.901 154 V CB 1.871 33.620 31.823 -0.122 0.000 1.003 154 V HN 0.189 nan 8.190 nan 0.000 0.425 155 V N 4.439 124.211 119.914 -0.236 0.000 2.532 155 V HA 0.689 4.813 4.120 0.006 0.000 0.295 155 V C -0.113 175.782 176.094 -0.333 0.000 1.041 155 V CA -0.499 61.647 62.300 -0.256 0.000 0.926 155 V CB 1.819 33.478 31.823 -0.273 0.000 0.992 155 V HN 0.963 nan 8.190 nan 0.000 0.457 156 V N 6.387 126.124 119.914 -0.295 0.000 2.483 156 V HA 0.532 4.656 4.120 0.006 0.000 0.297 156 V C -0.387 175.518 176.094 -0.315 0.000 1.027 156 V CA -0.412 61.673 62.300 -0.358 0.000 0.855 156 V CB 1.573 33.238 31.823 -0.263 0.000 0.995 156 V HN 0.750 nan 8.190 nan 0.000 0.424 157 I N 6.668 126.984 120.570 -0.425 0.000 2.294 157 I HA 0.282 4.456 4.170 0.006 0.000 0.295 157 I C 0.446 176.467 176.117 -0.159 0.000 1.098 157 I CA 0.081 61.244 61.300 -0.229 0.000 1.277 157 I CB 0.422 38.319 38.000 -0.173 0.000 1.434 157 I HN 0.645 nan 8.210 nan 0.000 0.498 158 N N 5.322 123.945 118.700 -0.129 0.000 2.434 158 N HA 0.222 4.966 4.740 0.006 0.000 0.266 158 N C -0.061 175.382 175.510 -0.113 0.000 1.223 158 N CA -0.262 52.698 53.050 -0.150 0.000 0.972 158 N CB 0.660 39.066 38.487 -0.135 0.000 1.207 158 N HN 0.350 nan 8.380 nan 0.000 0.525 159 K N -0.535 119.783 120.400 -0.137 0.000 3.117 159 K HA -0.142 4.182 4.320 0.006 0.000 0.269 159 K C 0.545 177.161 176.600 0.026 0.000 1.098 159 K CA 0.238 56.478 56.287 -0.077 0.000 0.785 159 K CB -1.998 30.436 32.500 -0.111 0.000 1.242 159 K HN 0.252 nan 8.250 nan 0.000 0.491 160 V N 0.567 120.519 119.914 0.063 0.000 2.490 160 V HA -0.293 3.831 4.120 0.006 0.000 0.250 160 V C 2.277 178.527 176.094 0.260 0.000 1.061 160 V CA 2.425 64.864 62.300 0.233 0.000 1.064 160 V CB -0.557 31.489 31.823 0.372 0.000 0.670 160 V HN 0.631 nan 8.190 nan 0.000 0.461 161 D N 0.899 121.493 120.400 0.323 0.000 2.170 161 D HA -0.333 4.310 4.640 0.006 0.000 0.193 161 D C 2.147 178.631 176.300 0.306 0.000 1.004 161 D CA 1.995 56.286 54.000 0.484 0.000 0.860 161 D CB -0.464 40.689 40.800 0.589 0.000 0.931 161 D HN 0.405 nan 8.370 nan 0.000 0.448 162 R N 0.453 121.065 120.500 0.187 0.000 2.092 162 R HA -0.022 4.322 4.340 0.006 0.000 0.231 162 R C 2.257 178.616 176.300 0.098 0.000 1.119 162 R CA 1.210 57.385 56.100 0.126 0.000 0.970 162 R CB -0.344 29.997 30.300 0.069 0.000 0.864 162 R HN 0.303 nan 8.270 nan 0.000 0.440 163 A N 0.863 123.737 122.820 0.090 0.000 1.972 163 A HA -0.094 4.230 4.320 0.006 0.000 0.219 163 A C 2.035 179.635 177.584 0.027 0.000 1.169 163 A CA 1.098 53.169 52.037 0.056 0.000 0.635 163 A CB -0.245 18.789 19.000 0.057 0.000 0.810 163 A HN 0.327 nan 8.150 nan 0.000 0.446 164 L N -1.367 119.855 121.223 -0.003 0.000 2.189 164 L HA 0.046 4.390 4.340 0.006 0.000 0.199 164 L C 2.460 179.352 176.870 0.037 0.000 1.074 164 L CA 0.522 55.298 54.840 -0.106 0.000 0.783 164 L CB -0.677 41.125 42.059 -0.429 0.000 0.955 164 L HN 0.294 nan 8.230 nan 0.000 0.460 165 L N -0.227 121.081 121.223 0.143 0.000 2.072 165 L HA -0.138 4.206 4.340 0.006 0.000 0.205 165 L C 2.542 179.471 176.870 0.098 0.000 1.079 165 L CA 1.354 56.284 54.840 0.151 0.000 0.752 165 L CB -0.348 41.829 42.059 0.197 0.000 0.906 165 L HN 0.349 nan 8.230 nan 0.000 0.436 166 E N 0.520 120.774 120.200 0.090 0.000 2.057 166 E HA -0.070 4.284 4.350 0.006 0.000 0.191 166 E C 2.349 178.982 176.600 0.055 0.000 0.959 166 E CA 0.320 56.761 56.400 0.068 0.000 0.828 166 E CB 0.120 29.859 29.700 0.065 0.000 0.800 166 E HN 0.329 nan 8.360 nan 0.000 0.460 167 L N 0.464 121.717 121.223 0.051 0.000 2.217 167 L HA -0.029 4.315 4.340 0.006 0.000 0.211 167 L C 0.492 177.389 176.870 0.046 0.000 1.107 167 L CA 0.640 55.506 54.840 0.042 0.000 0.783 167 L CB -0.296 41.784 42.059 0.036 0.000 0.919 167 L HN 0.310 nan 8.230 nan 0.000 0.442 168 Q N 0.438 120.267 119.800 0.048 0.000 2.453 168 Q HA -0.155 4.189 4.340 0.006 0.000 0.330 168 Q C -0.274 175.774 176.000 0.079 0.000 1.417 168 Q CA 0.186 56.022 55.803 0.055 0.000 0.902 168 Q CB -1.801 26.971 28.738 0.056 0.000 1.154 168 Q HN 0.459 nan 8.270 nan 0.000 0.395 169 V N -1.682 118.287 119.914 0.092 0.000 2.953 169 V HA 0.644 4.768 4.120 0.006 0.000 0.304 169 V C 0.956 177.171 176.094 0.202 0.000 1.073 169 V CA -0.119 62.247 62.300 0.110 0.000 1.064 169 V CB 1.862 33.731 31.823 0.077 0.000 1.047 169 V HN 0.443 nan 8.190 nan 0.000 0.478 170 S N 2.032 117.803 115.700 0.118 0.000 2.614 170 S HA 0.337 4.811 4.470 0.006 0.000 0.265 170 S C 0.771 175.361 174.600 -0.016 0.000 1.303 170 S CA -0.160 58.075 58.200 0.059 0.000 1.000 170 S CB 0.827 64.022 63.200 -0.008 0.000 0.935 170 S HN 0.785 nan 8.310 nan 0.000 0.551 171 K N 0.418 120.631 120.400 -0.311 0.000 2.063 171 K HA -0.166 4.157 4.320 0.006 0.000 0.208 171 K C 2.150 178.694 176.600 -0.094 0.000 1.048 171 K CA 1.808 57.845 56.287 -0.416 0.000 0.928 171 K CB -0.272 31.846 32.500 -0.636 0.000 0.713 171 K HN 0.765 nan 8.250 nan 0.000 0.442 172 E N 1.384 121.538 120.200 -0.077 0.000 2.072 172 E HA -0.177 4.177 4.350 0.006 0.000 0.191 172 E C 1.403 178.036 176.600 0.055 0.000 0.985 172 E CA 1.544 57.947 56.400 0.006 0.000 0.801 172 E CB -0.079 29.607 29.700 -0.023 0.000 0.750 172 E HN 0.152 nan 8.360 nan 0.000 0.452 173 D N -0.130 120.278 120.400 0.014 0.000 2.144 173 D HA -0.154 4.489 4.640 0.006 0.000 0.199 173 D C 1.907 178.182 176.300 -0.041 0.000 0.984 173 D CA 0.858 54.859 54.000 0.002 0.000 0.834 173 D CB -0.260 40.544 40.800 0.008 0.000 0.955 173 D HN 0.220 nan 8.370 nan 0.000 0.465 174 L N -0.079 121.122 121.223 -0.036 0.000 2.056 174 L HA -0.153 4.191 4.340 0.006 0.000 0.207 174 L C 2.248 178.884 176.870 -0.389 0.000 1.078 174 L CA 1.419 56.136 54.840 -0.205 0.000 0.749 174 L CB -0.804 41.249 42.059 -0.009 0.000 0.901 174 L HN 0.029 nan 8.230 nan 0.000 0.433 175 Y N -0.122 120.081 120.300 -0.163 0.000 2.145 175 Y HA -0.278 4.275 4.550 0.005 0.000 0.286 175 Y C 2.497 178.321 175.900 -0.127 0.000 1.145 175 Y CA 2.031 60.075 58.100 -0.094 0.000 1.148 175 Y CB -0.256 38.153 38.460 -0.085 0.000 0.981 175 Y HN 0.279 nan 8.280 nan 0.000 0.507 176 Q N -0.359 119.362 119.800 -0.133 0.000 2.170 176 Q HA -0.148 4.195 4.340 0.006 0.000 0.203 176 Q C 2.218 178.123 176.000 -0.158 0.000 0.976 176 Q CA 1.927 57.627 55.803 -0.171 0.000 0.858 176 Q CB -0.781 27.945 28.738 -0.020 0.000 0.907 176 Q HN 0.519 nan 8.270 nan 0.000 0.433 177 T N 1.041 115.487 114.554 -0.180 0.000 2.708 177 T HA -0.097 4.257 4.350 0.006 0.000 0.266 177 T C 1.495 176.179 174.700 -0.028 0.000 1.037 177 T CA 1.039 63.052 62.100 -0.144 0.000 1.146 177 T CB -0.246 68.485 68.868 -0.228 0.000 0.865 177 T HN 0.130 nan 8.240 nan 0.000 0.435 178 F N 1.862 121.840 119.950 0.045 0.000 2.134 178 F HA 0.074 4.606 4.527 0.009 0.000 0.299 178 F C 2.682 178.535 175.800 0.090 0.000 1.097 178 F CA 0.170 58.256 58.000 0.144 0.000 1.264 178 F CB -1.494 37.695 39.000 0.316 0.000 1.001 178 F HN 0.138 nan 8.300 nan 0.000 0.479 179 A N 0.418 123.299 122.820 0.101 0.000 1.892 179 A HA -0.230 4.094 4.320 0.006 0.000 0.218 179 A C 2.412 180.034 177.584 0.064 0.000 1.188 179 A CA 1.907 53.969 52.037 0.041 0.000 0.631 179 A CB -0.744 18.111 19.000 -0.242 0.000 0.822 179 A HN 0.330 nan 8.150 nan 0.000 0.447 180 R N -1.147 119.371 120.500 0.029 0.000 2.075 180 R HA -0.078 4.266 4.340 0.006 0.000 0.232 180 R C 2.339 178.668 176.300 0.049 0.000 1.126 180 R CA 1.753 57.872 56.100 0.031 0.000 0.963 180 R CB -0.823 29.486 30.300 0.015 0.000 0.858 180 R HN 0.557 nan 8.270 nan 0.000 0.435 181 T N 0.941 115.544 114.554 0.082 0.000 2.652 181 T HA -0.118 4.236 4.350 0.006 0.000 0.267 181 T C 2.027 176.749 174.700 0.036 0.000 1.039 181 T CA 1.531 63.678 62.100 0.077 0.000 1.153 181 T CB -0.266 68.686 68.868 0.141 0.000 0.863 181 T HN -0.004 nan 8.240 nan 0.000 0.428 182 V N 1.540 121.482 119.914 0.046 0.000 2.469 182 V HA -0.158 3.966 4.120 0.006 0.000 0.251 182 V C 2.594 178.668 176.094 -0.033 0.000 1.064 182 V CA 1.833 64.115 62.300 -0.030 0.000 1.066 182 V CB -0.665 31.140 31.823 -0.029 0.000 0.667 182 V HN 0.409 nan 8.190 nan 0.000 0.461 183 E N 0.780 120.987 120.200 0.012 0.000 2.051 183 E HA -0.161 4.192 4.350 0.006 0.000 0.192 183 E C 2.337 178.933 176.600 -0.007 0.000 0.991 183 E CA 1.871 58.276 56.400 0.008 0.000 0.799 183 E CB -0.404 29.313 29.700 0.028 0.000 0.748 183 E HN 0.562 nan 8.360 nan 0.000 0.449 184 S N -0.568 115.132 115.700 -0.000 0.000 2.368 184 S HA -0.128 4.345 4.470 0.006 0.000 0.225 184 S C 2.072 176.663 174.600 -0.015 0.000 1.030 184 S CA 1.149 59.348 58.200 -0.000 0.000 0.999 184 S CB -0.376 62.830 63.200 0.009 0.000 0.844 184 S HN 0.158 nan 8.310 nan 0.000 0.459 185 V N 3.142 123.035 119.914 -0.035 0.000 2.287 185 V HA -0.185 3.939 4.120 0.006 0.000 0.248 185 V C 2.096 178.149 176.094 -0.068 0.000 1.053 185 V CA 1.658 63.924 62.300 -0.057 0.000 1.027 185 V CB -0.724 31.043 31.823 -0.093 0.000 0.646 185 V HN 0.448 nan 8.190 nan 0.000 0.447 186 N N -0.126 118.519 118.700 -0.091 0.000 2.331 186 N HA -0.079 4.665 4.740 0.006 0.000 0.180 186 N C 1.727 177.200 175.510 -0.062 0.000 1.019 186 N CA 0.943 53.928 53.050 -0.108 0.000 0.881 186 N CB -0.240 38.154 38.487 -0.156 0.000 0.972 186 N HN 0.348 nan 8.380 nan 0.000 0.435 187 V N 1.705 121.598 119.914 -0.036 0.000 2.343 187 V HA -0.187 3.937 4.120 0.006 0.000 0.247 187 V C 2.196 178.283 176.094 -0.011 0.000 1.051 187 V CA 1.249 63.535 62.300 -0.022 0.000 1.036 187 V CB -0.317 31.503 31.823 -0.006 0.000 0.654 187 V HN 0.218 nan 8.190 nan 0.000 0.451 188 I N -0.746 119.837 120.570 0.022 0.000 2.202 188 I HA -0.172 4.002 4.170 0.006 0.000 0.242 188 I C 2.346 178.520 176.117 0.094 0.000 1.091 188 I CA 1.077 62.440 61.300 0.105 0.000 1.368 188 I CB -0.448 37.601 38.000 0.081 0.000 1.058 188 I HN 0.129 nan 8.210 nan 0.000 0.410 189 V N 0.977 120.896 119.914 0.008 0.000 2.261 189 V HA -0.269 3.855 4.120 0.006 0.000 0.246 189 V C 2.658 178.731 176.094 -0.035 0.000 1.047 189 V CA 2.324 64.613 62.300 -0.018 0.000 1.015 189 V CB -0.864 30.914 31.823 -0.074 0.000 0.642 189 V HN 0.605 nan 8.190 nan 0.000 0.446 190 S N -0.922 114.742 115.700 -0.059 0.000 2.447 190 S HA -0.179 4.295 4.470 0.006 0.000 0.233 190 S C 1.816 176.350 174.600 -0.109 0.000 1.006 190 S CA 1.742 59.900 58.200 -0.070 0.000 0.957 190 S CB -0.527 62.638 63.200 -0.059 0.000 0.773 190 S HN 0.583 nan 8.310 nan 0.000 0.507 191 T N 0.378 114.837 114.554 -0.158 0.000 2.894 191 T HA 0.148 4.502 4.350 0.006 0.000 0.258 191 T C 0.874 175.298 174.700 -0.460 0.000 1.043 191 T CA 1.053 62.940 62.100 -0.355 0.000 1.141 191 T CB -0.278 68.276 68.868 -0.523 0.000 0.873 191 T HN 0.587 nan 8.240 nan 0.000 0.449 192 Y N 0.703 120.967 120.300 -0.060 0.000 2.462 192 Y HA 0.609 5.162 4.550 0.005 0.000 0.253 192 Y C 1.241 177.099 175.900 -0.070 0.000 1.095 192 Y CA -1.144 56.916 58.100 -0.066 0.000 1.283 192 Y CB -0.014 38.405 38.460 -0.069 0.000 1.138 192 Y HN 0.072 nan 8.280 nan 0.000 0.522 193 A N 0.848 123.695 122.820 0.044 0.000 2.477 193 A HA 0.054 4.378 4.320 0.006 0.000 0.246 193 A C -0.038 177.526 177.584 -0.034 0.000 1.078 193 A CA -0.254 51.778 52.037 -0.009 0.000 0.770 193 A CB -0.092 18.885 19.000 -0.038 0.000 1.011 193 A HN 0.198 nan 8.150 nan 0.000 0.494 194 D N 1.683 122.055 120.400 -0.047 0.000 2.390 194 D HA 0.114 4.758 4.640 0.006 0.000 0.249 194 D C 1.067 177.322 176.300 -0.076 0.000 1.144 194 D CA -0.005 53.961 54.000 -0.056 0.000 0.880 194 D CB 0.819 41.587 40.800 -0.054 0.000 1.182 194 D HN 0.580 nan 8.370 nan 0.000 0.451 195 E N 1.792 121.954 120.200 -0.063 0.000 2.187 195 E HA -0.173 4.181 4.350 0.006 0.000 0.199 195 E C 1.669 178.227 176.600 -0.070 0.000 1.004 195 E CA 0.935 57.299 56.400 -0.061 0.000 0.813 195 E CB -0.149 29.522 29.700 -0.048 0.000 0.736 195 E HN 0.318 nan 8.360 nan 0.000 0.468 196 V N 1.019 120.886 119.914 -0.078 0.000 3.590 196 V HA -0.042 4.082 4.120 0.006 0.000 0.272 196 V C 1.381 177.381 176.094 -0.156 0.000 1.233 196 V CA 0.896 63.145 62.300 -0.085 0.000 1.182 196 V CB -0.741 31.049 31.823 -0.056 0.000 0.901 196 V HN 0.289 nan 8.190 nan 0.000 0.485 197 L N 0.019 121.129 121.223 -0.189 0.000 2.731 197 L HA 0.524 4.867 4.340 0.006 0.000 0.240 197 L C 1.281 178.058 176.870 -0.154 0.000 1.120 197 L CA 0.548 55.221 54.840 -0.277 0.000 0.913 197 L CB -0.014 41.841 42.059 -0.341 0.000 1.213 197 L HN 0.533 nan 8.230 nan 0.000 0.515 198 G N 1.096 109.838 108.800 -0.096 0.000 2.782 198 G HA2 -0.285 3.679 3.960 0.006 0.000 0.228 198 G HA3 -0.285 3.679 3.960 0.006 0.000 0.228 198 G C -0.488 174.389 174.900 -0.039 0.000 1.372 198 G CA -0.420 44.648 45.100 -0.052 0.000 0.862 198 G HN 0.233 nan 8.290 nan 0.000 0.547 199 D N -0.521 119.875 120.400 -0.007 0.000 2.426 199 D HA 0.301 4.945 4.640 0.006 0.000 0.261 199 D C 1.358 177.666 176.300 0.014 0.000 1.245 199 D CA 0.606 54.617 54.000 0.019 0.000 0.917 199 D CB 0.768 41.610 40.800 0.070 0.000 1.123 199 D HN 0.578 nan 8.370 nan 0.000 0.508 200 V N 3.964 123.864 119.914 -0.023 0.000 3.528 200 V HA 0.055 4.179 4.120 0.006 0.000 0.294 200 V C 1.095 177.133 176.094 -0.093 0.000 1.404 200 V CA -0.120 62.152 62.300 -0.047 0.000 1.065 200 V CB -0.599 31.185 31.823 -0.065 0.000 0.904 200 V HN 0.525 nan 8.190 nan 0.000 0.435 201 Q N 1.068 120.796 119.800 -0.120 0.000 2.479 201 Q HA 0.242 4.586 4.340 0.006 0.000 0.267 201 Q C -0.089 175.626 176.000 -0.475 0.000 1.071 201 Q CA 0.143 55.767 55.803 -0.299 0.000 0.935 201 Q CB 1.306 29.827 28.738 -0.362 0.000 1.295 201 Q HN 0.475 nan 8.270 nan 0.000 0.476 202 V N -0.427 119.146 119.914 -0.569 0.000 2.481 202 V HA 0.498 4.621 4.120 0.006 0.000 0.286 202 V C -1.152 174.485 176.094 -0.762 0.000 1.042 202 V CA -0.725 61.260 62.300 -0.526 0.000 0.928 202 V CB 0.503 32.105 31.823 -0.369 0.000 0.986 202 V HN 0.560 nan 8.190 nan 0.000 0.462 203 Y N 3.526 123.688 120.300 -0.230 0.000 2.346 203 Y HA 0.496 5.049 4.550 0.005 0.000 0.332 203 Y C -2.050 173.641 175.900 -0.349 0.000 0.985 203 Y CA -2.172 55.775 58.100 -0.255 0.000 1.112 203 Y CB 2.294 40.660 38.460 -0.156 0.000 1.170 203 Y HN 0.397 nan 8.280 nan 0.000 0.447 204 P HA -0.242 nan 4.420 nan 0.000 0.216 204 P C 1.304 178.473 177.300 -0.218 0.000 1.153 204 P CA 2.410 65.220 63.100 -0.484 0.000 0.858 204 P CB 0.267 31.239 31.700 -1.213 0.000 0.789 205 A N -0.448 122.257 122.820 -0.192 0.000 2.125 205 A HA -0.149 4.175 4.320 0.006 0.000 0.219 205 A C 1.981 179.588 177.584 0.039 0.000 1.156 205 A CA 1.194 53.249 52.037 0.032 0.000 0.671 205 A CB -0.841 18.222 19.000 0.104 0.000 0.794 205 A HN 0.163 nan 8.150 nan 0.000 0.459 206 R N -1.732 118.774 120.500 0.010 0.000 2.362 206 R HA 0.253 4.597 4.340 0.006 0.000 0.227 206 R C 1.096 177.398 176.300 0.004 0.000 0.905 206 R CA 0.482 56.599 56.100 0.029 0.000 1.067 206 R CB 0.186 30.511 30.300 0.042 0.000 1.078 206 R HN 0.611 nan 8.270 nan 0.000 0.516 207 G N 1.575 110.356 108.800 -0.032 0.000 2.136 207 G HA2 -0.291 3.673 3.960 0.006 0.000 0.242 207 G HA3 -0.291 3.673 3.960 0.006 0.000 0.242 207 G C 0.656 175.417 174.900 -0.232 0.000 0.989 207 G CA 0.767 45.857 45.100 -0.017 0.000 0.682 207 G HN 0.418 nan 8.290 nan 0.000 0.522 208 T N -2.622 111.699 114.554 -0.389 0.000 3.186 208 T HA 0.589 4.942 4.350 0.006 0.000 0.257 208 T C 0.221 174.703 174.700 -0.364 0.000 1.029 208 T CA 0.275 62.094 62.100 -0.469 0.000 0.916 208 T CB 1.108 69.669 68.868 -0.511 0.000 1.041 208 T HN 0.867 nan 8.240 nan 0.000 0.562 209 V N 0.999 120.689 119.914 -0.373 0.000 2.668 209 V HA 0.803 4.926 4.120 0.006 0.000 0.304 209 V C -0.296 175.392 176.094 -0.678 0.000 1.071 209 V CA -1.205 60.769 62.300 -0.543 0.000 0.894 209 V CB 1.423 32.864 31.823 -0.637 0.000 1.008 209 V HN 0.591 nan 8.190 nan 0.000 0.425 210 A N 4.372 126.731 122.820 -0.770 0.000 2.330 210 A HA 1.030 5.354 4.320 0.006 0.000 0.329 210 A C -1.293 175.590 177.584 -1.169 0.000 1.135 210 A CA -0.476 51.118 52.037 -0.737 0.000 0.817 210 A CB 1.265 20.042 19.000 -0.372 0.000 1.269 210 A HN 0.672 nan 8.150 nan 0.000 0.469 211 F N -0.091 119.419 119.950 -0.734 0.000 2.556 211 F HA 0.739 5.269 4.527 0.005 0.000 0.314 211 F C 0.684 176.081 175.800 -0.672 0.000 1.106 211 F CA 0.126 57.660 58.000 -0.777 0.000 0.911 211 F CB 2.681 41.081 39.000 -1.000 0.000 1.190 211 F HN 1.015 nan 8.300 nan 0.000 0.448 212 G N 0.370 108.935 108.800 -0.392 0.000 2.341 212 G HA2 0.440 4.404 3.960 0.006 0.000 0.299 212 G HA3 0.440 4.404 3.960 0.006 0.000 0.299 212 G C -1.939 172.451 174.900 -0.850 0.000 1.274 212 G CA -0.801 43.806 45.100 -0.823 0.000 0.853 212 G HN 0.662 nan 8.290 nan 0.000 0.493 213 S N -0.731 114.265 115.700 -1.174 0.000 2.774 213 S HA 0.540 5.014 4.470 0.006 0.000 0.297 213 S C 1.365 175.710 174.600 -0.425 0.000 1.143 213 S CA 0.726 58.539 58.200 -0.645 0.000 1.090 213 S CB 0.779 63.718 63.200 -0.435 0.000 1.019 213 S HN 1.793 nan 8.310 nan 0.000 0.482 214 G N 3.932 112.573 108.800 -0.266 0.000 2.469 214 G HA2 -0.190 3.774 3.960 0.006 0.000 0.219 214 G HA3 -0.190 3.774 3.960 0.006 0.000 0.219 214 G C 1.248 176.068 174.900 -0.133 0.000 1.150 214 G CA 1.195 46.198 45.100 -0.161 0.000 0.763 214 G HN 0.687 nan 8.290 nan 0.000 0.561 215 L N 0.387 121.493 121.223 -0.196 0.000 1.978 215 L HA -0.185 4.158 4.340 0.006 0.000 0.218 215 L C 2.582 179.342 176.870 -0.183 0.000 1.075 215 L CA 2.210 56.901 54.840 -0.248 0.000 0.767 215 L CB -0.578 41.212 42.059 -0.449 0.000 0.890 215 L HN 0.359 nan 8.230 nan 0.000 0.434 216 H N -0.553 118.573 119.070 0.093 0.000 2.551 216 H HA 0.288 4.848 4.556 0.006 0.000 0.266 216 H C 1.519 176.981 175.328 0.224 0.000 0.964 216 H CA 0.647 56.820 56.048 0.208 0.000 1.180 216 H CB -0.186 29.824 29.762 0.414 0.000 1.408 216 H HN 0.536 nan 8.280 nan 0.000 0.563 217 G N 0.985 109.887 108.800 0.170 0.000 2.171 217 G HA2 -0.191 3.773 3.960 0.006 0.000 0.238 217 G HA3 -0.191 3.773 3.960 0.006 0.000 0.238 217 G C -0.038 175.004 174.900 0.236 0.000 1.039 217 G CA 0.317 45.500 45.100 0.139 0.000 0.759 217 G HN 0.514 nan 8.290 nan 0.000 0.501 218 W N -0.982 120.415 121.300 0.162 0.000 2.761 218 W HA 0.859 5.522 4.660 0.005 0.000 0.340 218 W C -0.244 176.373 176.519 0.164 0.000 1.072 218 W CA -1.408 56.041 57.345 0.174 0.000 1.215 218 W CB 1.645 31.252 29.460 0.246 0.000 1.420 218 W HN 1.090 nan 8.180 nan 0.000 0.519 219 A N 3.251 126.296 122.820 0.375 0.000 2.597 219 A HA 0.852 5.176 4.320 0.006 0.000 0.292 219 A C -2.054 175.738 177.584 0.346 0.000 1.057 219 A CA -0.760 51.383 52.037 0.177 0.000 0.674 219 A CB 1.404 20.366 19.000 -0.064 0.000 1.278 219 A HN 1.117 nan 8.150 nan 0.000 0.416 220 F N -0.973 119.143 119.950 0.278 0.000 2.686 220 F HA 0.896 5.427 4.527 0.005 0.000 0.311 220 F C -0.250 175.734 175.800 0.308 0.000 1.128 220 F CA -0.195 57.973 58.000 0.281 0.000 0.946 220 F CB 1.362 40.627 39.000 0.442 0.000 1.336 220 F HN 0.916 nan 8.300 nan 0.000 0.457 221 T N -0.614 114.271 114.554 0.551 0.000 2.916 221 T HA 0.465 4.818 4.350 0.006 0.000 0.292 221 T C 0.670 175.752 174.700 0.637 0.000 1.055 221 T CA -0.830 61.542 62.100 0.453 0.000 1.009 221 T CB 1.546 70.531 68.868 0.196 0.000 1.118 221 T HN 0.657 nan 8.240 nan 0.000 0.497 222 I N 0.401 121.303 120.570 0.553 0.000 2.423 222 I HA -0.100 4.073 4.170 0.006 0.000 0.254 222 I C 2.577 178.915 176.117 0.370 0.000 1.151 222 I CA 1.319 62.925 61.300 0.509 0.000 1.421 222 I CB -1.143 37.103 38.000 0.410 0.000 1.079 222 I HN 0.824 nan 8.210 nan 0.000 0.431 223 R N 1.035 121.695 120.500 0.268 0.000 2.092 223 R HA -0.176 4.167 4.340 0.006 0.000 0.231 223 R C 2.231 178.623 176.300 0.154 0.000 1.119 223 R CA 1.278 57.486 56.100 0.180 0.000 0.970 223 R CB -0.008 30.371 30.300 0.133 0.000 0.864 223 R HN 0.433 nan 8.270 nan 0.000 0.440 224 Q N -0.779 119.118 119.800 0.161 0.000 2.084 224 Q HA -0.158 4.186 4.340 0.006 0.000 0.202 224 Q C 1.807 177.774 176.000 -0.055 0.000 0.978 224 Q CA 1.703 57.520 55.803 0.023 0.000 0.844 224 Q CB -0.053 28.674 28.738 -0.019 0.000 0.898 224 Q HN 0.324 nan 8.270 nan 0.000 0.426 225 F N -0.054 119.953 119.950 0.095 0.000 2.367 225 F HA -0.039 4.493 4.527 0.008 0.000 0.298 225 F C 2.212 178.115 175.800 0.172 0.000 1.094 225 F CA 0.791 58.850 58.000 0.097 0.000 1.409 225 F CB -0.234 38.862 39.000 0.159 0.000 1.064 225 F HN 0.054 nan 8.300 nan 0.000 0.528 226 A N -0.419 122.591 122.820 0.318 0.000 1.898 226 A HA -0.146 4.177 4.320 0.006 0.000 0.216 226 A C 2.228 179.897 177.584 0.142 0.000 1.181 226 A CA 2.147 54.318 52.037 0.222 0.000 0.620 226 A CB -1.240 17.856 19.000 0.161 0.000 0.819 226 A HN 0.305 nan 8.150 nan 0.000 0.442 227 T N -0.662 113.942 114.554 0.084 0.000 2.788 227 T HA -0.160 4.194 4.350 0.006 0.000 0.268 227 T C 2.053 176.755 174.700 0.003 0.000 1.044 227 T CA 1.517 63.636 62.100 0.031 0.000 1.139 227 T CB -0.222 68.644 68.868 -0.002 0.000 0.867 227 T HN 0.531 nan 8.240 nan 0.000 0.454 228 R N -0.262 120.208 120.500 -0.050 0.000 2.062 228 R HA -0.075 4.269 4.340 0.006 0.000 0.231 228 R C 1.931 178.150 176.300 -0.136 0.000 1.136 228 R CA 1.460 57.458 56.100 -0.171 0.000 0.948 228 R CB -0.250 29.831 30.300 -0.364 0.000 0.845 228 R HN 0.406 nan 8.270 nan 0.000 0.430 229 Y N -0.016 120.357 120.300 0.121 0.000 2.544 229 Y HA 0.171 4.725 4.550 0.007 0.000 0.286 229 Y C 2.078 178.092 175.900 0.191 0.000 1.141 229 Y CA 0.353 58.559 58.100 0.176 0.000 1.299 229 Y CB -0.238 38.364 38.460 0.237 0.000 1.030 229 Y HN 0.212 nan 8.280 nan 0.000 0.543 230 A N 0.673 123.628 122.820 0.225 0.000 1.971 230 A HA -0.302 4.022 4.320 0.006 0.000 0.222 230 A C 2.189 179.857 177.584 0.140 0.000 1.182 230 A CA 2.237 54.365 52.037 0.152 0.000 0.649 230 A CB -0.411 18.638 19.000 0.082 0.000 0.818 230 A HN 0.450 nan 8.150 nan 0.000 0.458 231 K N -0.742 119.719 120.400 0.102 0.000 2.098 231 K HA 0.016 4.340 4.320 0.006 0.000 0.203 231 K C 1.723 178.343 176.600 0.033 0.000 1.051 231 K CA 1.047 57.368 56.287 0.057 0.000 0.957 231 K CB -0.125 32.389 32.500 0.023 0.000 0.738 231 K HN 0.346 nan 8.250 nan 0.000 0.447 232 K N 0.062 120.464 120.400 0.004 0.000 2.585 232 K HA -0.080 4.244 4.320 0.006 0.000 0.194 232 K C 0.416 176.747 176.600 -0.448 0.000 1.037 232 K CA 0.908 57.077 56.287 -0.195 0.000 0.964 232 K CB 0.055 32.423 32.500 -0.219 0.000 0.787 232 K HN 0.091 nan 8.250 nan 0.000 0.488 233 F N -0.723 119.246 119.950 0.032 0.000 2.838 233 F HA 0.224 4.755 4.527 0.007 0.000 0.329 233 F C 0.887 176.710 175.800 0.039 0.000 1.116 233 F CA -0.406 57.614 58.000 0.034 0.000 1.155 233 F CB 1.017 40.020 39.000 0.004 0.000 1.106 233 F HN -0.023 nan 8.300 nan 0.000 0.538 234 G N 2.273 111.163 108.800 0.150 0.000 2.395 234 G HA2 -0.163 3.801 3.960 0.006 0.000 0.292 234 G HA3 -0.163 3.801 3.960 0.006 0.000 0.292 234 G C -0.509 174.449 174.900 0.096 0.000 0.953 234 G CA 0.501 45.662 45.100 0.102 0.000 1.207 234 G HN 0.234 nan 8.290 nan 0.000 0.503 235 V N 1.254 121.222 119.914 0.090 0.000 2.971 235 V HA 0.460 4.583 4.120 0.006 0.000 0.309 235 V C -0.300 175.806 176.094 0.020 0.000 1.130 235 V CA -0.657 61.663 62.300 0.034 0.000 0.964 235 V CB 2.217 34.031 31.823 -0.016 0.000 1.029 235 V HN 0.609 nan 8.190 nan 0.000 0.427 236 D N 3.377 123.775 120.400 -0.004 0.000 2.390 236 D HA 0.045 4.689 4.640 0.006 0.000 0.249 236 D C 0.850 177.145 176.300 -0.008 0.000 1.144 236 D CA -0.355 53.644 54.000 -0.001 0.000 0.880 236 D CB 1.470 42.266 40.800 -0.006 0.000 1.182 236 D HN 0.571 nan 8.370 nan 0.000 0.451 237 K N 2.242 122.648 120.400 0.010 0.000 2.163 237 K HA -0.321 4.003 4.320 0.006 0.000 0.210 237 K C 1.875 178.480 176.600 0.007 0.000 1.048 237 K CA 2.122 58.421 56.287 0.019 0.000 0.928 237 K CB -0.339 32.178 32.500 0.028 0.000 0.716 237 K HN 0.568 nan 8.250 nan 0.000 0.459 238 A N 1.469 124.288 122.820 -0.002 0.000 1.873 238 A HA -0.268 4.056 4.320 0.006 0.000 0.218 238 A C 2.006 179.572 177.584 -0.030 0.000 1.193 238 A CA 2.346 54.379 52.037 -0.006 0.000 0.629 238 A CB -0.666 18.329 19.000 -0.010 0.000 0.826 238 A HN 0.574 nan 8.150 nan 0.000 0.447 239 K N -1.783 118.578 120.400 -0.064 0.000 2.432 239 K HA 0.057 4.381 4.320 0.006 0.000 0.196 239 K C 1.722 178.212 176.600 -0.183 0.000 1.038 239 K CA 1.305 57.523 56.287 -0.115 0.000 0.986 239 K CB -0.137 32.282 32.500 -0.134 0.000 0.782 239 K HN 0.285 nan 8.250 nan 0.000 0.485 240 M N 1.811 121.321 119.600 -0.151 0.000 2.160 240 M HA 0.058 4.542 4.480 0.006 0.000 0.264 240 M C 1.987 178.228 176.300 -0.098 0.000 1.073 240 M CA 1.522 56.702 55.300 -0.200 0.000 1.142 240 M CB -0.203 32.333 32.600 -0.107 0.000 1.358 240 M HN 0.393 nan 8.290 nan 0.000 0.422 241 M N -2.336 117.269 119.600 0.009 0.000 2.374 241 M HA -0.053 4.431 4.480 0.006 0.000 0.264 241 M C 1.379 177.736 176.300 0.096 0.000 1.067 241 M CA 1.697 57.056 55.300 0.099 0.000 1.103 241 M CB -1.068 31.608 32.600 0.127 0.000 1.402 241 M HN 0.118 nan 8.290 nan 0.000 0.444 242 D N 1.587 121.999 120.400 0.019 0.000 2.178 242 D HA -0.102 4.541 4.640 0.006 0.000 0.201 242 D C 1.987 178.296 176.300 0.015 0.000 0.980 242 D CA 1.235 55.245 54.000 0.017 0.000 0.842 242 D CB 0.038 40.815 40.800 -0.039 0.000 0.948 242 D HN 0.473 nan 8.370 nan 0.000 0.472 243 R N -0.568 119.885 120.500 -0.080 0.000 2.127 243 R HA 0.168 4.512 4.340 0.006 0.000 0.217 243 R C 2.104 178.434 176.300 0.050 0.000 1.074 243 R CA 0.099 56.127 56.100 -0.120 0.000 0.991 243 R CB 0.022 30.031 30.300 -0.486 0.000 0.895 243 R HN 0.170 nan 8.270 nan 0.000 0.450 244 L N 0.306 121.606 121.223 0.127 0.000 2.711 244 L HA 0.015 4.358 4.340 0.006 0.000 0.242 244 L C 0.205 177.381 176.870 0.510 0.000 1.153 244 L CA 0.255 55.268 54.840 0.287 0.000 0.898 244 L CB -0.093 42.139 42.059 0.288 0.000 1.044 244 L HN 0.260 nan 8.230 nan 0.000 0.437 245 W N -0.614 120.775 121.300 0.148 0.000 3.167 245 W HA 0.440 5.104 4.660 0.006 0.000 0.324 245 W C 0.323 176.879 176.519 0.062 0.000 1.230 245 W CA 0.181 57.609 57.345 0.138 0.000 1.184 245 W CB 1.637 31.186 29.460 0.147 0.000 1.414 245 W HN 0.026 nan 8.180 nan 0.000 0.551 246 G N 3.246 111.760 108.800 -0.477 0.000 2.542 246 G HA2 -0.254 3.709 3.960 0.006 0.000 0.235 246 G HA3 -0.254 3.709 3.960 0.006 0.000 0.235 246 G C -0.592 174.123 174.900 -0.309 0.000 1.286 246 G CA 0.084 45.037 45.100 -0.245 0.000 0.904 246 G HN 0.429 nan 8.290 nan 0.000 0.577 247 D N 1.650 121.940 120.400 -0.182 0.000 2.896 247 D HA 0.499 5.143 4.640 0.006 0.000 0.240 247 D C 0.065 176.166 176.300 -0.332 0.000 1.193 247 D CA 0.438 54.291 54.000 -0.245 0.000 0.983 247 D CB 0.347 41.208 40.800 0.102 0.000 1.074 247 D HN 0.402 nan 8.370 nan 0.000 0.496 248 S N 0.463 115.826 115.700 -0.560 0.000 2.472 248 S HA 0.610 5.084 4.470 0.006 0.000 0.303 248 S C -0.508 173.782 174.600 -0.517 0.000 1.099 248 S CA -0.583 57.465 58.200 -0.254 0.000 1.077 248 S CB 0.979 64.187 63.200 0.014 0.000 1.031 248 S HN 0.093 nan 8.310 nan 0.000 0.487 249 F N 2.150 122.254 119.950 0.256 0.000 2.539 249 F HA 0.450 4.979 4.527 0.003 0.000 0.318 249 F C -0.643 175.168 175.800 0.018 0.000 1.135 249 F CA -0.895 57.167 58.000 0.103 0.000 0.915 249 F CB 1.129 40.127 39.000 -0.004 0.000 1.176 249 F HN 0.529 nan 8.300 nan 0.000 0.440 250 F N 4.579 124.374 119.950 -0.257 0.000 2.313 250 F HA 0.376 4.907 4.527 0.006 0.000 0.369 250 F C 0.300 175.915 175.800 -0.310 0.000 1.109 250 F CA -0.753 56.851 58.000 -0.660 0.000 1.132 250 F CB 0.188 38.517 39.000 -1.118 0.000 1.291 250 F HN 0.423 nan 8.300 nan 0.000 0.496 251 N N 7.880 126.207 118.700 -0.622 0.000 2.434 251 N HA 0.040 4.784 4.740 0.006 0.000 0.268 251 N C -1.917 173.238 175.510 -0.592 0.000 1.256 251 N CA -1.402 51.368 53.050 -0.466 0.000 0.914 251 N CB 1.307 39.584 38.487 -0.348 0.000 1.088 251 N HN 0.325 nan 8.380 nan 0.000 0.478 252 P HA -0.054 nan 4.420 nan 0.000 0.219 252 P C 0.653 177.867 177.300 -0.142 0.000 1.150 252 P CA 1.436 64.450 63.100 -0.143 0.000 0.814 252 P CB 0.394 32.050 31.700 -0.074 0.000 0.787 253 K N -0.888 119.417 120.400 -0.158 0.000 2.076 253 K HA -0.015 4.308 4.320 0.006 0.000 0.204 253 K C 1.927 178.450 176.600 -0.128 0.000 1.051 253 K CA 1.866 58.084 56.287 -0.116 0.000 0.949 253 K CB -0.631 31.809 32.500 -0.101 0.000 0.726 253 K HN 0.247 nan 8.250 nan 0.000 0.443 254 T N -1.715 112.725 114.554 -0.191 0.000 3.044 254 T HA 0.112 4.466 4.350 0.006 0.000 0.250 254 T C 0.268 174.838 174.700 -0.215 0.000 1.081 254 T CA -0.292 61.706 62.100 -0.171 0.000 1.040 254 T CB 0.144 68.916 68.868 -0.160 0.000 0.962 254 T HN -0.081 nan 8.240 nan 0.000 0.506 255 K N 0.802 120.973 120.400 -0.382 0.000 3.244 255 K HA -0.127 4.197 4.320 0.006 0.000 0.270 255 K C -0.486 175.829 176.600 -0.476 0.000 1.016 255 K CA 0.670 56.683 56.287 -0.457 0.000 0.754 255 K CB -1.627 30.877 32.500 0.007 0.000 1.326 255 K HN 0.631 nan 8.250 nan 0.000 0.465 256 K N -0.117 119.822 120.400 -0.768 0.000 2.468 256 K HA 0.371 4.695 4.320 0.006 0.000 0.252 256 K C -0.784 175.616 176.600 -0.332 0.000 0.932 256 K CA -0.692 55.406 56.287 -0.315 0.000 0.794 256 K CB 1.105 33.509 32.500 -0.159 0.000 1.241 256 K HN 0.079 nan 8.250 nan 0.000 0.428 257 W N 1.779 123.119 121.300 0.067 0.000 2.261 257 W HA 0.308 4.970 4.660 0.005 0.000 0.323 257 W C -0.002 176.569 176.519 0.086 0.000 1.243 257 W CA 0.200 57.632 57.345 0.145 0.000 1.210 257 W CB 1.686 31.251 29.460 0.175 0.000 1.149 257 W HN 0.368 nan 8.180 nan 0.000 0.562 258 T N 2.137 116.929 114.554 0.397 0.000 2.853 258 T HA 0.179 4.533 4.350 0.006 0.000 0.311 258 T C -0.101 174.817 174.700 0.364 0.000 1.307 258 T CA -0.945 61.319 62.100 0.274 0.000 1.019 258 T CB 1.487 70.443 68.868 0.146 0.000 1.264 258 T HN 0.319 nan 8.240 nan 0.000 0.497 259 N N 0.921 119.783 118.700 0.269 0.000 2.234 259 N HA 0.121 4.865 4.740 0.006 0.000 0.227 259 N C -0.358 175.310 175.510 0.262 0.000 1.151 259 N CA -0.056 53.175 53.050 0.301 0.000 0.865 259 N CB 0.796 39.387 38.487 0.173 0.000 1.066 259 N HN 0.424 nan 8.380 nan 0.000 0.515 260 K N 1.658 122.133 120.400 0.125 0.000 2.323 260 K HA 0.109 4.433 4.320 0.006 0.000 0.259 260 K C -0.331 175.948 176.600 -0.536 0.000 0.947 260 K CA -0.454 55.767 56.287 -0.110 0.000 0.819 260 K CB 1.149 33.602 32.500 -0.078 0.000 1.109 260 K HN -0.118 nan 8.250 nan 0.000 0.429 261 D N 2.051 122.000 120.400 -0.751 0.000 2.323 261 D HA -0.044 4.600 4.640 0.006 0.000 0.239 261 D C -0.182 175.759 176.300 -0.598 0.000 1.129 261 D CA 0.012 53.287 54.000 -1.207 0.000 0.865 261 D CB 0.066 40.377 40.800 -0.815 0.000 0.913 261 D HN 0.463 nan 8.370 nan 0.000 0.517 262 T N -2.508 111.809 114.554 -0.395 0.000 2.933 262 T HA 0.432 4.786 4.350 0.006 0.000 0.305 262 T C -0.500 174.086 174.700 -0.189 0.000 1.092 262 T CA -1.040 60.912 62.100 -0.246 0.000 1.008 262 T CB 2.499 71.264 68.868 -0.171 0.000 1.102 262 T HN 0.017 nan 8.240 nan 0.000 0.469 263 D N 2.002 122.310 120.400 -0.154 0.000 2.398 263 D HA 0.454 5.098 4.640 0.006 0.000 0.264 263 D C 1.794 178.038 176.300 -0.093 0.000 1.263 263 D CA -0.201 53.727 54.000 -0.120 0.000 1.037 263 D CB -0.013 40.719 40.800 -0.114 0.000 1.101 263 D HN 0.683 nan 8.370 nan 0.000 0.551 264 A N -0.466 122.308 122.820 -0.076 0.000 1.940 264 A HA -0.208 4.116 4.320 0.006 0.000 0.219 264 A C 1.821 179.371 177.584 -0.056 0.000 1.176 264 A CA 1.539 53.541 52.037 -0.060 0.000 0.631 264 A CB -0.829 18.141 19.000 -0.050 0.000 0.814 264 A HN 0.684 nan 8.150 nan 0.000 0.446 265 E N -1.463 118.701 120.200 -0.060 0.000 2.476 265 E HA 0.291 4.645 4.350 0.006 0.000 0.191 265 E C 0.924 177.489 176.600 -0.058 0.000 1.064 265 E CA 0.218 56.586 56.400 -0.053 0.000 0.866 265 E CB -0.127 29.543 29.700 -0.051 0.000 0.952 265 E HN 0.755 nan 8.360 nan 0.000 0.492 266 G N 2.112 110.871 108.800 -0.069 0.000 2.132 266 G HA2 -0.292 3.671 3.960 0.006 0.000 0.234 266 G HA3 -0.292 3.671 3.960 0.006 0.000 0.234 266 G C -0.035 174.816 174.900 -0.082 0.000 0.989 266 G CA -0.048 45.009 45.100 -0.073 0.000 0.676 266 G HN 0.158 nan 8.290 nan 0.000 0.522 267 K N 0.728 121.074 120.400 -0.090 0.000 2.144 267 K HA 0.499 4.822 4.320 0.006 0.000 0.270 267 K C -2.523 174.003 176.600 -0.122 0.000 1.005 267 K CA -1.963 54.268 56.287 -0.094 0.000 0.932 267 K CB 1.193 33.642 32.500 -0.085 0.000 1.021 267 K HN 0.005 nan 8.250 nan 0.000 0.462 268 P HA 0.091 nan 4.420 nan 0.000 0.271 268 P C -0.912 176.295 177.300 -0.155 0.000 1.220 268 P CA 0.023 63.037 63.100 -0.143 0.000 0.768 268 P CB 0.507 32.145 31.700 -0.105 0.000 0.848 269 L N 2.286 123.375 121.223 -0.223 0.000 2.317 269 L HA 0.377 4.720 4.340 0.006 0.000 0.281 269 L C 0.919 177.786 176.870 -0.005 0.000 1.024 269 L CA -0.778 53.964 54.840 -0.163 0.000 0.810 269 L CB 1.343 43.253 42.059 -0.248 0.000 1.240 269 L HN 0.366 nan 8.230 nan 0.000 0.427 270 E N 3.936 124.155 120.200 0.031 0.000 2.316 270 E HA 0.135 4.489 4.350 0.006 0.000 0.275 270 E C -0.159 176.531 176.600 0.150 0.000 1.029 270 E CA -0.670 55.752 56.400 0.037 0.000 0.871 270 E CB 0.864 30.501 29.700 -0.105 0.000 1.022 270 E HN 0.490 nan 8.360 nan 0.000 0.418 271 R N 2.972 123.489 120.500 0.028 0.000 2.738 271 R HA 0.200 4.544 4.340 0.006 0.000 0.268 271 R C 0.678 176.827 176.300 -0.252 0.000 1.062 271 R CA 0.367 56.253 56.100 -0.356 0.000 1.158 271 R CB 0.587 30.509 30.300 -0.630 0.000 1.046 271 R HN 0.512 nan 8.270 nan 0.000 0.493 272 A N 2.436 125.153 122.820 -0.170 0.000 1.902 272 A HA -0.179 4.145 4.320 0.006 0.000 0.217 272 A C 1.886 179.512 177.584 0.070 0.000 1.181 272 A CA 1.232 53.334 52.037 0.109 0.000 0.623 272 A CB -0.812 18.432 19.000 0.406 0.000 0.818 272 A HN 0.861 nan 8.150 nan 0.000 0.443 273 F N 1.670 121.537 119.950 -0.139 0.000 2.095 273 F HA -0.241 4.290 4.527 0.008 0.000 0.298 273 F C 1.931 177.630 175.800 -0.169 0.000 1.104 273 F CA 2.235 60.179 58.000 -0.094 0.000 1.232 273 F CB -0.258 38.686 39.000 -0.094 0.000 0.987 273 F HN 0.246 nan 8.300 nan 0.000 0.475 274 N N -0.071 118.534 118.700 -0.159 0.000 2.188 274 N HA -0.185 4.559 4.740 0.006 0.000 0.184 274 N C 1.907 177.198 175.510 -0.365 0.000 1.018 274 N CA 1.632 54.523 53.050 -0.266 0.000 0.858 274 N CB -0.508 37.837 38.487 -0.237 0.000 0.989 274 N HN 0.448 nan 8.380 nan 0.000 0.426 275 M N -1.120 118.230 119.600 -0.417 0.000 2.216 275 M HA 0.040 4.523 4.480 0.006 0.000 0.264 275 M C 0.620 176.525 176.300 -0.658 0.000 1.080 275 M CA 1.463 56.397 55.300 -0.611 0.000 1.153 275 M CB 0.119 32.187 32.600 -0.887 0.000 1.356 275 M HN -0.031 nan 8.290 nan 0.000 0.432 276 F N -0.701 119.087 119.950 -0.270 0.000 2.656 276 F HA 0.240 4.771 4.527 0.007 0.000 0.291 276 F C 1.713 177.341 175.800 -0.287 0.000 1.122 276 F CA 0.342 58.167 58.000 -0.292 0.000 1.427 276 F CB -0.020 38.647 39.000 -0.555 0.000 1.125 276 F HN 0.065 nan 8.300 nan 0.000 0.583 277 I N -1.064 119.228 120.570 -0.464 0.000 3.132 277 I HA -0.059 4.115 4.170 0.006 0.000 0.255 277 I C 1.970 177.645 176.117 -0.737 0.000 1.118 277 I CA 0.491 61.155 61.300 -1.060 0.000 1.463 277 I CB -0.254 36.881 38.000 -1.442 0.000 1.356 277 I HN -0.043 nan 8.210 nan 0.000 0.463 278 L N 0.660 121.524 121.223 -0.598 0.000 2.093 278 L HA -0.195 4.149 4.340 0.006 0.000 0.208 278 L C 2.122 178.955 176.870 -0.061 0.000 1.085 278 L CA 1.482 56.182 54.840 -0.233 0.000 0.755 278 L CB -0.578 41.336 42.059 -0.242 0.000 0.904 278 L HN 0.289 nan 8.230 nan 0.000 0.435 279 D N -0.062 120.219 120.400 -0.198 0.000 2.104 279 D HA -0.136 4.508 4.640 0.006 0.000 0.194 279 D C -0.631 175.681 176.300 0.020 0.000 0.994 279 D CA 1.308 55.237 54.000 -0.118 0.000 0.830 279 D CB -0.627 40.064 40.800 -0.181 0.000 0.959 279 D HN 0.109 nan 8.370 nan 0.000 0.452 280 P HA -0.099 nan 4.420 nan 0.000 0.215 280 P C 1.510 178.854 177.300 0.073 0.000 1.157 280 P CA 1.095 64.237 63.100 0.070 0.000 0.868 280 P CB -0.035 31.775 31.700 0.183 0.000 0.788 281 I N -2.512 118.136 120.570 0.129 0.000 2.226 281 I HA -0.240 3.934 4.170 0.006 0.000 0.245 281 I C 2.142 178.314 176.117 0.092 0.000 1.100 281 I CA 1.415 62.781 61.300 0.110 0.000 1.374 281 I CB -0.725 37.303 38.000 0.047 0.000 1.057 281 I HN -0.166 nan 8.210 nan 0.000 0.413 282 F N 1.184 121.088 119.950 -0.077 0.000 2.202 282 F HA -0.177 4.353 4.527 0.005 0.000 0.301 282 F C 2.655 178.464 175.800 0.015 0.000 1.082 282 F CA 1.483 59.444 58.000 -0.064 0.000 1.313 282 F CB -0.417 38.536 39.000 -0.078 0.000 1.024 282 F HN -0.102 nan 8.300 nan 0.000 0.495 283 R N -0.351 120.249 120.500 0.166 0.000 2.090 283 R HA -0.052 4.292 4.340 0.006 0.000 0.228 283 R C 2.195 178.518 176.300 0.037 0.000 1.110 283 R CA 0.905 57.053 56.100 0.080 0.000 0.973 283 R CB -0.406 29.915 30.300 0.035 0.000 0.869 283 R HN 0.281 nan 8.270 nan 0.000 0.440 284 L N -0.650 120.588 121.223 0.026 0.000 2.017 284 L HA -0.166 4.178 4.340 0.006 0.000 0.208 284 L C 2.022 178.875 176.870 -0.028 0.000 1.073 284 L CA 1.411 56.229 54.840 -0.037 0.000 0.745 284 L CB -0.420 41.588 42.059 -0.086 0.000 0.894 284 L HN 0.150 nan 8.230 nan 0.000 0.432 285 F N 0.058 119.907 119.950 -0.169 0.000 2.126 285 F HA -0.259 4.273 4.527 0.008 0.000 0.299 285 F C 2.640 178.347 175.800 -0.155 0.000 1.096 285 F CA 1.823 59.712 58.000 -0.186 0.000 1.255 285 F CB -0.419 38.441 39.000 -0.233 0.000 0.997 285 F HN 0.027 nan 8.300 nan 0.000 0.479 286 T N -0.524 114.076 114.554 0.078 0.000 2.770 286 T HA -0.100 4.253 4.350 0.006 0.000 0.263 286 T C 2.206 176.881 174.700 -0.041 0.000 1.039 286 T CA 1.095 63.208 62.100 0.022 0.000 1.142 286 T CB -0.582 68.320 68.868 0.056 0.000 0.868 286 T HN 0.283 nan 8.240 nan 0.000 0.435 287 A N 1.092 123.885 122.820 -0.045 0.000 1.902 287 A HA -0.002 4.322 4.320 0.006 0.000 0.217 287 A C 2.274 179.782 177.584 -0.127 0.000 1.181 287 A CA 1.212 53.209 52.037 -0.066 0.000 0.623 287 A CB -0.708 18.259 19.000 -0.056 0.000 0.818 287 A HN 0.507 nan 8.150 nan 0.000 0.443 288 I N -0.984 119.475 120.570 -0.185 0.000 2.235 288 I HA -0.177 3.997 4.170 0.006 0.000 0.241 288 I C 2.280 178.113 176.117 -0.473 0.000 1.085 288 I CA 0.942 62.077 61.300 -0.275 0.000 1.378 288 I CB -0.311 37.516 38.000 -0.289 0.000 1.076 288 I HN 0.218 nan 8.210 nan 0.000 0.415 289 M N 0.201 119.537 119.600 -0.441 0.000 2.549 289 M HA -0.077 4.407 4.480 0.006 0.000 0.260 289 M C 1.024 176.970 176.300 -0.589 0.000 1.076 289 M CA 1.210 56.181 55.300 -0.549 0.000 1.090 289 M CB -1.136 31.283 32.600 -0.302 0.000 1.418 289 M HN 0.251 nan 8.290 nan 0.000 0.486 290 N N -0.112 118.370 118.700 -0.363 0.000 2.235 290 N HA 0.086 4.829 4.740 0.006 0.000 0.209 290 N C -0.378 175.135 175.510 0.005 0.000 1.122 290 N CA -0.017 52.955 53.050 -0.130 0.000 0.845 290 N CB 0.175 38.644 38.487 -0.029 0.000 1.004 290 N HN 0.208 nan 8.380 nan 0.000 0.499 291 F N 0.540 120.476 119.950 -0.024 0.000 3.079 291 F HA -0.274 4.257 4.527 0.007 0.000 0.274 291 F C 0.305 176.094 175.800 -0.019 0.000 0.940 291 F CA 0.561 58.547 58.000 -0.023 0.000 0.932 291 F CB -2.016 36.973 39.000 -0.018 0.000 0.891 291 F HN -0.088 nan 8.300 nan 0.000 0.722 292 K N 1.286 121.728 120.400 0.070 0.000 2.155 292 K HA 0.079 4.403 4.320 0.006 0.000 0.240 292 K C 1.245 177.865 176.600 0.032 0.000 1.193 292 K CA -0.050 56.266 56.287 0.048 0.000 1.104 292 K CB 0.156 32.666 32.500 0.018 0.000 1.558 292 K HN 0.506 nan 8.250 nan 0.000 0.313 293 K N -0.221 120.211 120.400 0.053 0.000 2.362 293 K HA -0.174 4.149 4.320 0.006 0.000 0.202 293 K C 0.519 177.128 176.600 0.015 0.000 1.045 293 K CA 1.336 57.645 56.287 0.036 0.000 0.936 293 K CB 0.126 32.652 32.500 0.044 0.000 0.747 293 K HN 0.199 nan 8.250 nan 0.000 0.467 294 D N 0.862 121.269 120.400 0.012 0.000 2.346 294 D HA -0.011 4.632 4.640 0.006 0.000 0.206 294 D C 1.356 177.653 176.300 -0.004 0.000 1.001 294 D CA 0.584 54.587 54.000 0.004 0.000 0.871 294 D CB 0.321 41.124 40.800 0.006 0.000 0.943 294 D HN 0.420 nan 8.370 nan 0.000 0.518 295 E N 0.311 120.507 120.200 -0.006 0.000 2.102 295 E HA 0.059 4.412 4.350 0.006 0.000 0.190 295 E C 2.225 178.809 176.600 -0.027 0.000 0.971 295 E CA 0.058 56.449 56.400 -0.015 0.000 0.821 295 E CB 0.382 30.074 29.700 -0.014 0.000 0.777 295 E HN 0.189 nan 8.360 nan 0.000 0.460 296 I N 1.832 122.383 120.570 -0.031 0.000 2.113 296 I HA -0.252 3.922 4.170 0.006 0.000 0.242 296 I C -0.708 175.381 176.117 -0.047 0.000 1.064 296 I CA 1.435 62.706 61.300 -0.048 0.000 1.320 296 I CB -1.492 36.479 38.000 -0.048 0.000 1.028 296 I HN 0.081 nan 8.210 nan 0.000 0.406 297 P HA -0.123 nan 4.420 nan 0.000 0.215 297 P C 2.043 179.323 177.300 -0.033 0.000 1.157 297 P CA 1.239 64.321 63.100 -0.029 0.000 0.868 297 P CB -0.019 31.670 31.700 -0.018 0.000 0.788 298 V N -0.626 119.271 119.914 -0.028 0.000 2.332 298 V HA -0.218 3.906 4.120 0.006 0.000 0.248 298 V C 2.401 178.473 176.094 -0.038 0.000 1.055 298 V CA 1.587 63.871 62.300 -0.027 0.000 1.038 298 V CB -1.171 30.640 31.823 -0.020 0.000 0.651 298 V HN 0.053 nan 8.190 nan 0.000 0.450 299 L N -0.990 120.204 121.223 -0.048 0.000 2.093 299 L HA -0.067 4.277 4.340 0.006 0.000 0.208 299 L C 2.080 178.891 176.870 -0.099 0.000 1.085 299 L CA 1.728 56.527 54.840 -0.068 0.000 0.755 299 L CB -0.613 41.401 42.059 -0.074 0.000 0.904 299 L HN 0.172 nan 8.230 nan 0.000 0.435 300 L N -0.571 120.596 121.223 -0.093 0.000 2.027 300 L HA -0.152 4.192 4.340 0.006 0.000 0.206 300 L C 2.566 179.387 176.870 -0.081 0.000 1.074 300 L CA 1.594 56.371 54.840 -0.105 0.000 0.745 300 L CB -0.986 41.025 42.059 -0.081 0.000 0.898 300 L HN 0.384 nan 8.230 nan 0.000 0.433 301 E N -0.184 119.983 120.200 -0.054 0.000 2.110 301 E HA -0.274 4.080 4.350 0.006 0.000 0.193 301 E C 2.202 178.780 176.600 -0.038 0.000 0.988 301 E CA 1.041 57.418 56.400 -0.038 0.000 0.804 301 E CB 0.120 29.804 29.700 -0.026 0.000 0.745 301 E HN 0.355 nan 8.360 nan 0.000 0.458 302 K N 0.254 120.628 120.400 -0.042 0.000 2.034 302 K HA -0.160 4.164 4.320 0.006 0.000 0.214 302 K C 2.011 178.589 176.600 -0.037 0.000 1.051 302 K CA 1.680 57.947 56.287 -0.033 0.000 0.931 302 K CB -0.105 32.375 32.500 -0.034 0.000 0.715 302 K HN 0.179 nan 8.250 nan 0.000 0.446 303 L N 0.096 121.272 121.223 -0.078 0.000 2.592 303 L HA 0.108 4.452 4.340 0.006 0.000 0.227 303 L C 0.174 177.021 176.870 -0.039 0.000 1.127 303 L CA -0.015 54.775 54.840 -0.084 0.000 0.884 303 L CB -0.159 41.734 42.059 -0.277 0.000 1.065 303 L HN 0.323 nan 8.230 nan 0.000 0.457 304 E N 1.576 121.754 120.200 -0.037 0.000 2.271 304 E HA -0.223 4.131 4.350 0.006 0.000 0.223 304 E C -0.374 176.224 176.600 -0.004 0.000 1.223 304 E CA 0.036 56.427 56.400 -0.015 0.000 0.704 304 E CB -0.967 28.732 29.700 -0.002 0.000 1.194 304 E HN 0.500 nan 8.360 nan 0.000 0.375 305 I N 1.931 122.483 120.570 -0.030 0.000 2.347 305 I HA 0.220 4.394 4.170 0.006 0.000 0.283 305 I C 0.229 176.337 176.117 -0.015 0.000 1.058 305 I CA -0.812 60.479 61.300 -0.015 0.000 1.202 305 I CB 1.252 39.217 38.000 -0.058 0.000 1.386 305 I HN 0.072 nan 8.210 nan 0.000 0.475 306 V N 8.098 128.013 119.914 0.001 0.000 2.432 306 V HA 0.461 4.585 4.120 0.006 0.000 0.275 306 V C -0.095 176.001 176.094 0.004 0.000 1.043 306 V CA -0.289 62.010 62.300 -0.001 0.000 0.925 306 V CB 1.184 33.008 31.823 0.002 0.000 0.985 306 V HN 0.518 nan 8.190 nan 0.000 0.466 307 L N 6.357 127.579 121.223 -0.001 0.000 2.360 307 L HA 0.607 4.950 4.340 0.006 0.000 0.271 307 L C 0.226 177.099 176.870 0.005 0.000 1.057 307 L CA -0.661 54.180 54.840 0.002 0.000 0.803 307 L CB 1.212 43.269 42.059 -0.003 0.000 1.207 307 L HN 0.540 nan 8.230 nan 0.000 0.445 308 K N 0.562 120.967 120.400 0.008 0.000 2.182 308 K HA 0.376 4.700 4.320 0.006 0.000 0.262 308 K C 0.749 177.354 176.600 0.008 0.000 0.957 308 K CA 0.153 56.445 56.287 0.008 0.000 0.842 308 K CB 1.862 34.369 32.500 0.011 0.000 1.099 308 K HN 0.774 nan 8.250 nan 0.000 0.438 309 G N 3.648 112.452 108.800 0.006 0.000 3.023 309 G HA2 -0.451 3.512 3.960 0.006 0.000 0.311 309 G HA3 -0.451 3.512 3.960 0.006 0.000 0.311 309 G C 0.916 175.820 174.900 0.007 0.000 1.098 309 G CA 1.378 46.481 45.100 0.006 0.000 1.027 309 G HN 0.807 nan 8.290 nan 0.000 0.991 310 D N 1.035 121.440 120.400 0.009 0.000 2.158 310 D HA -0.052 4.592 4.640 0.006 0.000 0.197 310 D C 2.522 178.829 176.300 0.010 0.000 0.995 310 D CA 1.521 55.527 54.000 0.010 0.000 0.846 310 D CB -0.363 40.444 40.800 0.012 0.000 0.941 310 D HN 0.763 nan 8.370 nan 0.000 0.456 311 E N 0.385 120.591 120.200 0.010 0.000 2.204 311 E HA -0.099 4.255 4.350 0.006 0.000 0.194 311 E C 1.690 178.293 176.600 0.005 0.000 0.989 311 E CA 0.536 56.942 56.400 0.009 0.000 0.824 311 E CB 0.036 29.742 29.700 0.009 0.000 0.756 311 E HN 0.252 nan 8.360 nan 0.000 0.477 312 K N 0.643 121.045 120.400 0.004 0.000 2.555 312 K HA -0.097 4.227 4.320 0.006 0.000 0.193 312 K C 1.195 177.798 176.600 0.006 0.000 1.032 312 K CA 0.608 56.897 56.287 0.002 0.000 1.004 312 K CB 0.193 32.694 32.500 0.002 0.000 0.804 312 K HN 0.080 nan 8.250 nan 0.000 0.496 313 D N 0.257 120.663 120.400 0.009 0.000 2.423 313 D HA 0.059 4.703 4.640 0.006 0.000 0.208 313 D C 0.529 176.841 176.300 0.021 0.000 1.068 313 D CA -0.005 54.003 54.000 0.013 0.000 0.860 313 D CB 0.577 41.384 40.800 0.011 0.000 0.992 313 D HN 0.018 nan 8.370 nan 0.000 0.504 314 L N 1.412 122.646 121.223 0.019 0.000 2.472 314 L HA 0.138 4.482 4.340 0.006 0.000 0.273 314 L C 0.819 177.712 176.870 0.040 0.000 1.254 314 L CA 0.490 55.346 54.840 0.025 0.000 0.823 314 L CB 0.223 42.290 42.059 0.013 0.000 1.096 314 L HN 0.104 nan 8.230 nan 0.000 0.521 315 E N -0.553 119.685 120.200 0.063 0.000 2.447 315 E HA 0.555 4.909 4.350 0.006 0.000 0.279 315 E C -0.042 176.616 176.600 0.097 0.000 1.053 315 E CA -0.451 56.016 56.400 0.113 0.000 0.840 315 E CB 1.284 31.143 29.700 0.265 0.000 1.409 315 E HN 0.723 nan 8.360 nan 0.000 0.461 316 G N 1.637 110.440 108.800 0.004 0.000 2.566 316 G HA2 -0.396 3.568 3.960 0.006 0.000 0.280 316 G HA3 -0.396 3.568 3.960 0.006 0.000 0.280 316 G C 0.587 175.392 174.900 -0.159 0.000 1.225 316 G CA 0.559 45.582 45.100 -0.127 0.000 0.966 316 G HN 0.609 nan 8.290 nan 0.000 0.560 317 K N 0.464 120.802 120.400 -0.104 0.000 2.097 317 K HA 0.039 4.362 4.320 0.006 0.000 0.206 317 K C 3.112 179.659 176.600 -0.088 0.000 1.049 317 K CA 1.709 57.917 56.287 -0.131 0.000 0.933 317 K CB -0.421 32.057 32.500 -0.038 0.000 0.717 317 K HN 0.689 nan 8.250 nan 0.000 0.442 318 A N 1.539 124.345 122.820 -0.024 0.000 1.892 318 A HA -0.205 4.119 4.320 0.006 0.000 0.218 318 A C 2.093 179.662 177.584 -0.026 0.000 1.188 318 A CA 1.463 53.500 52.037 -0.000 0.000 0.631 318 A CB -0.550 18.464 19.000 0.023 0.000 0.822 318 A HN 0.252 nan 8.150 nan 0.000 0.447 319 L N -0.942 120.249 121.223 -0.052 0.000 2.023 319 L HA -0.032 4.312 4.340 0.006 0.000 0.205 319 L C 2.233 179.030 176.870 -0.123 0.000 1.073 319 L CA 2.035 56.833 54.840 -0.070 0.000 0.745 319 L CB -0.777 41.239 42.059 -0.072 0.000 0.900 319 L HN 0.336 nan 8.230 nan 0.000 0.435 320 L N 0.154 121.250 121.223 -0.211 0.000 2.081 320 L HA -0.260 4.083 4.340 0.006 0.000 0.212 320 L C 2.562 179.285 176.870 -0.245 0.000 1.080 320 L CA 2.262 56.906 54.840 -0.327 0.000 0.754 320 L CB -0.852 40.880 42.059 -0.545 0.000 0.893 320 L HN 0.461 nan 8.230 nan 0.000 0.433 321 K N -1.283 119.026 120.400 -0.153 0.000 2.057 321 K HA -0.121 4.202 4.320 0.006 0.000 0.206 321 K C 1.845 178.477 176.600 0.054 0.000 1.050 321 K CA 1.747 58.033 56.287 -0.001 0.000 0.935 321 K CB -0.084 32.466 32.500 0.082 0.000 0.715 321 K HN 0.295 nan 8.250 nan 0.000 0.439 322 V N 0.701 120.626 119.914 0.018 0.000 2.358 322 V HA -0.202 3.922 4.120 0.006 0.000 0.246 322 V C 2.328 178.442 176.094 0.034 0.000 1.047 322 V CA 1.387 63.708 62.300 0.035 0.000 1.035 322 V CB -0.101 31.733 31.823 0.017 0.000 0.658 322 V HN 0.156 nan 8.190 nan 0.000 0.452 323 V N -0.384 119.523 119.914 -0.012 0.000 2.287 323 V HA -0.305 3.818 4.120 0.006 0.000 0.248 323 V C 2.532 178.658 176.094 0.054 0.000 1.053 323 V CA 2.067 64.357 62.300 -0.018 0.000 1.027 323 V CB -0.603 31.161 31.823 -0.098 0.000 0.646 323 V HN 0.406 nan 8.190 nan 0.000 0.447 324 M N -0.700 118.918 119.600 0.029 0.000 2.132 324 M HA -0.108 4.376 4.480 0.006 0.000 0.263 324 M C 2.288 178.737 176.300 0.249 0.000 1.065 324 M CA 1.581 56.935 55.300 0.090 0.000 1.122 324 M CB -1.311 31.195 32.600 -0.156 0.000 1.365 324 M HN 0.254 nan 8.290 nan 0.000 0.411 325 R N 0.105 120.743 120.500 0.231 0.000 2.091 325 R HA -0.154 4.190 4.340 0.006 0.000 0.238 325 R C 2.286 178.691 176.300 0.174 0.000 1.136 325 R CA 1.473 57.708 56.100 0.225 0.000 0.959 325 R CB -0.222 30.182 30.300 0.174 0.000 0.856 325 R HN 0.321 nan 8.270 nan 0.000 0.437 326 K N -0.471 120.020 120.400 0.151 0.000 2.228 326 K HA -0.099 4.224 4.320 0.006 0.000 0.202 326 K C 1.685 178.395 176.600 0.184 0.000 1.051 326 K CA 0.705 57.071 56.287 0.131 0.000 0.960 326 K CB 0.016 32.573 32.500 0.096 0.000 0.743 326 K HN 0.029 nan 8.250 nan 0.000 0.458 327 F N 0.935 120.904 119.950 0.032 0.000 2.149 327 F HA 0.143 4.674 4.527 0.006 0.000 0.294 327 F C 0.293 176.116 175.800 0.039 0.000 1.095 327 F CA 0.865 58.872 58.000 0.012 0.000 1.276 327 F CB 0.346 39.340 39.000 -0.010 0.000 1.023 327 F HN -0.150 nan 8.300 nan 0.000 0.480 328 L N 1.631 122.839 121.223 -0.025 0.000 2.470 328 L HA 0.316 4.660 4.340 0.006 0.000 0.256 328 L C -2.587 174.372 176.870 0.148 0.000 1.357 328 L CA -1.883 52.921 54.840 -0.060 0.000 0.902 328 L CB 1.099 43.134 42.059 -0.041 0.000 1.121 328 L HN -0.197 nan 8.230 nan 0.000 0.507 329 P HA -0.042 nan 4.420 nan 0.000 0.258 329 P C 0.862 178.222 177.300 0.099 0.000 1.187 329 P CA 0.345 63.509 63.100 0.107 0.000 0.767 329 P CB 1.190 32.926 31.700 0.060 0.000 0.770 330 A N 5.651 128.539 122.820 0.114 0.000 1.892 330 A HA -0.251 4.073 4.320 0.006 0.000 0.218 330 A C 2.190 179.786 177.584 0.019 0.000 1.188 330 A CA 2.310 54.383 52.037 0.060 0.000 0.631 330 A CB -1.545 17.466 19.000 0.019 0.000 0.822 330 A HN 0.501 nan 8.150 nan 0.000 0.447 331 A N -0.334 122.497 122.820 0.019 0.000 1.986 331 A HA -0.238 4.086 4.320 0.006 0.000 0.220 331 A C 1.798 179.378 177.584 -0.006 0.000 1.171 331 A CA 1.949 53.987 52.037 0.002 0.000 0.640 331 A CB -0.602 18.404 19.000 0.009 0.000 0.811 331 A HN 0.557 nan 8.150 nan 0.000 0.451 332 D N -0.069 120.333 120.400 0.003 0.000 2.117 332 D HA -0.050 4.593 4.640 0.006 0.000 0.198 332 D C 2.296 178.589 176.300 -0.011 0.000 0.982 332 D CA 1.466 55.461 54.000 -0.008 0.000 0.828 332 D CB -0.369 40.428 40.800 -0.004 0.000 0.967 332 D HN 0.436 nan 8.370 nan 0.000 0.464 333 A N 0.912 123.736 122.820 0.006 0.000 1.933 333 A HA -0.125 4.199 4.320 0.006 0.000 0.218 333 A C 2.416 179.981 177.584 -0.031 0.000 1.175 333 A CA 0.939 52.980 52.037 0.008 0.000 0.628 333 A CB -0.649 18.371 19.000 0.033 0.000 0.814 333 A HN 0.181 nan 8.150 nan 0.000 0.444 334 L N -0.948 120.249 121.223 -0.043 0.000 2.044 334 L HA -0.091 4.253 4.340 0.006 0.000 0.205 334 L C 2.554 179.392 176.870 -0.053 0.000 1.075 334 L CA 0.822 55.627 54.840 -0.059 0.000 0.747 334 L CB -0.651 41.373 42.059 -0.058 0.000 0.903 334 L HN 0.325 nan 8.230 nan 0.000 0.435 335 L N 0.021 121.214 121.223 -0.049 0.000 2.042 335 L HA -0.246 4.098 4.340 0.006 0.000 0.210 335 L C 2.699 179.513 176.870 -0.093 0.000 1.076 335 L CA 1.470 56.271 54.840 -0.066 0.000 0.749 335 L CB -0.530 41.491 42.059 -0.063 0.000 0.893 335 L HN 0.398 nan 8.230 nan 0.000 0.432 336 E N 0.427 120.582 120.200 -0.075 0.000 2.049 336 E HA -0.288 4.066 4.350 0.006 0.000 0.198 336 E C 2.316 178.884 176.600 -0.053 0.000 1.007 336 E CA 1.692 58.045 56.400 -0.078 0.000 0.809 336 E CB -0.084 29.596 29.700 -0.033 0.000 0.749 336 E HN 0.426 nan 8.360 nan 0.000 0.450 337 M N 0.210 119.807 119.600 -0.006 0.000 2.117 337 M HA -0.149 4.335 4.480 0.006 0.000 0.262 337 M C 2.451 178.767 176.300 0.026 0.000 1.065 337 M CA 1.289 56.628 55.300 0.065 0.000 1.114 337 M CB -0.296 32.296 32.600 -0.012 0.000 1.361 337 M HN 0.229 nan 8.290 nan 0.000 0.408 338 I N -0.469 120.079 120.570 -0.036 0.000 2.226 338 I HA -0.257 3.917 4.170 0.006 0.000 0.245 338 I C 2.296 178.360 176.117 -0.088 0.000 1.100 338 I CA 1.122 62.395 61.300 -0.045 0.000 1.374 338 I CB -0.392 37.580 38.000 -0.047 0.000 1.057 338 I HN 0.085 nan 8.210 nan 0.000 0.413 339 V N 0.803 120.605 119.914 -0.186 0.000 2.346 339 V HA -0.185 3.939 4.120 0.006 0.000 0.244 339 V C 2.214 178.100 176.094 -0.347 0.000 1.037 339 V CA 1.444 63.519 62.300 -0.375 0.000 1.029 339 V CB -0.309 31.114 31.823 -0.667 0.000 0.663 339 V HN 0.350 nan 8.190 nan 0.000 0.454 340 L N -1.067 119.974 121.223 -0.304 0.000 2.313 340 L HA 0.000 4.344 4.340 0.006 0.000 0.214 340 L C 2.219 178.793 176.870 -0.493 0.000 1.119 340 L CA 1.026 55.627 54.840 -0.398 0.000 0.809 340 L CB -0.391 41.401 42.059 -0.445 0.000 0.933 340 L HN 0.460 nan 8.230 nan 0.000 0.449 341 H N -1.621 117.407 119.070 -0.071 0.000 3.091 341 H HA 0.316 4.876 4.556 0.007 0.000 0.249 341 H C 0.660 175.975 175.328 -0.022 0.000 0.985 341 H CA -0.258 55.766 56.048 -0.039 0.000 1.177 341 H CB 0.933 30.667 29.762 -0.047 0.000 1.456 341 H HN 0.106 nan 8.280 nan 0.000 0.467 342 L N 4.939 126.204 121.223 0.070 0.000 2.380 342 L HA 0.181 4.524 4.340 0.006 0.000 0.273 342 L C -1.996 174.907 176.870 0.054 0.000 1.138 342 L CA -1.672 53.200 54.840 0.053 0.000 0.832 342 L CB 0.768 42.844 42.059 0.029 0.000 1.124 342 L HN -0.109 nan 8.230 nan 0.000 0.454 343 P HA 0.048 nan 4.420 nan 0.000 0.271 343 P C -0.514 176.820 177.300 0.057 0.000 1.216 343 P CA -0.370 62.780 63.100 0.082 0.000 0.776 343 P CB 1.070 32.846 31.700 0.127 0.000 0.881 344 S N 2.701 118.432 115.700 0.051 0.000 2.632 344 S HA 0.284 4.758 4.470 0.006 0.000 0.267 344 S C -1.677 172.921 174.600 -0.004 0.000 1.276 344 S CA -1.119 57.103 58.200 0.036 0.000 0.998 344 S CB 0.012 63.238 63.200 0.044 0.000 0.953 344 S HN 0.225 nan 8.310 nan 0.000 0.547 345 P HA -0.117 nan 4.420 nan 0.000 0.216 345 P C 1.599 178.864 177.300 -0.058 0.000 1.153 345 P CA 0.900 63.966 63.100 -0.057 0.000 0.858 345 P CB -0.270 31.381 31.700 -0.080 0.000 0.789 346 V N -0.560 119.329 119.914 -0.042 0.000 2.255 346 V HA -0.268 3.856 4.120 0.006 0.000 0.247 346 V C 2.326 178.387 176.094 -0.054 0.000 1.051 346 V CA 2.701 64.978 62.300 -0.039 0.000 1.018 346 V CB -1.975 29.835 31.823 -0.021 0.000 0.641 346 V HN 0.184 nan 8.190 nan 0.000 0.445 347 T N 0.192 114.724 114.554 -0.037 0.000 2.821 347 T HA -0.085 4.269 4.350 0.006 0.000 0.267 347 T C 1.997 176.597 174.700 -0.168 0.000 1.046 347 T CA 1.618 63.705 62.100 -0.021 0.000 1.139 347 T CB -0.341 68.558 68.868 0.052 0.000 0.871 347 T HN 0.574 nan 8.240 nan 0.000 0.454 348 A N 1.224 123.886 122.820 -0.264 0.000 1.903 348 A HA -0.006 4.318 4.320 0.006 0.000 0.213 348 A C 2.216 179.319 177.584 -0.802 0.000 1.185 348 A CA 0.800 52.432 52.037 -0.675 0.000 0.628 348 A CB -0.493 18.365 19.000 -0.236 0.000 0.830 348 A HN 0.466 nan 8.150 nan 0.000 0.446 349 Q N -0.360 119.246 119.800 -0.323 0.000 2.364 349 Q HA -0.090 4.254 4.340 0.006 0.000 0.209 349 Q C 2.159 178.040 176.000 -0.198 0.000 0.977 349 Q CA 0.929 56.633 55.803 -0.165 0.000 0.885 349 Q CB -0.357 28.387 28.738 0.011 0.000 0.941 349 Q HN 0.694 nan 8.270 nan 0.000 0.464 350 A N 0.700 123.368 122.820 -0.252 0.000 2.015 350 A HA -0.168 4.156 4.320 0.006 0.000 0.219 350 A C 1.422 178.980 177.584 -0.043 0.000 1.163 350 A CA 1.200 53.168 52.037 -0.114 0.000 0.646 350 A CB -0.380 18.593 19.000 -0.045 0.000 0.806 350 A HN 0.619 nan 8.150 nan 0.000 0.448 351 Y N -3.796 116.513 120.300 0.015 0.000 2.500 351 Y HA 0.499 5.053 4.550 0.007 0.000 0.246 351 Y C 1.604 177.505 175.900 0.002 0.000 1.146 351 Y CA -0.479 57.626 58.100 0.007 0.000 1.230 351 Y CB 0.017 38.481 38.460 0.008 0.000 1.214 351 Y HN 0.077 nan 8.280 nan 0.000 0.526 352 R N 0.339 120.810 120.500 -0.049 0.000 2.254 352 R HA 0.342 4.686 4.340 0.006 0.000 0.193 352 R C 2.215 178.485 176.300 -0.050 0.000 0.929 352 R CA 0.666 56.766 56.100 0.001 0.000 1.038 352 R CB 0.103 30.370 30.300 -0.056 0.000 1.009 352 R HN 0.363 nan 8.270 nan 0.000 0.512 353 A N 2.079 124.857 122.820 -0.069 0.000 1.859 353 A HA -0.243 4.080 4.320 0.006 0.000 0.217 353 A C 1.853 179.422 177.584 -0.026 0.000 1.198 353 A CA 1.592 53.580 52.037 -0.082 0.000 0.629 353 A CB -0.469 18.488 19.000 -0.071 0.000 0.830 353 A HN 0.286 nan 8.150 nan 0.000 0.446 354 E N -1.073 119.132 120.200 0.009 0.000 2.130 354 E HA -0.291 4.062 4.350 0.006 0.000 0.196 354 E C 2.251 178.875 176.600 0.041 0.000 0.998 354 E CA 1.537 57.962 56.400 0.042 0.000 0.806 354 E CB -0.145 29.578 29.700 0.038 0.000 0.738 354 E HN 0.796 nan 8.360 nan 0.000 0.459 355 Q N 0.111 119.921 119.800 0.017 0.000 2.172 355 Q HA -0.059 4.285 4.340 0.006 0.000 0.200 355 Q C 1.876 177.863 176.000 -0.021 0.000 0.964 355 Q CA 0.623 56.428 55.803 0.003 0.000 0.855 355 Q CB 0.245 28.988 28.738 0.008 0.000 0.918 355 Q HN 0.283 nan 8.270 nan 0.000 0.444 356 L N -0.299 120.890 121.223 -0.058 0.000 2.592 356 L HA 0.108 4.452 4.340 0.006 0.000 0.227 356 L C -0.129 176.743 176.870 0.004 0.000 1.127 356 L CA -0.193 54.577 54.840 -0.117 0.000 0.884 356 L CB 0.304 42.147 42.059 -0.360 0.000 1.065 356 L HN 0.152 nan 8.230 nan 0.000 0.457 357 Y N 0.815 121.061 120.300 -0.090 0.000 2.334 357 Y HA 0.226 4.779 4.550 0.006 0.000 0.336 357 Y C 0.991 176.872 175.900 -0.032 0.000 0.960 357 Y CA -0.902 57.171 58.100 -0.046 0.000 1.164 357 Y CB 0.907 39.340 38.460 -0.044 0.000 1.155 357 Y HN -0.071 nan 8.280 nan 0.000 0.478 358 E N 4.044 123.975 120.200 -0.448 0.000 2.365 358 E HA 0.173 4.527 4.350 0.006 0.000 0.188 358 E C 0.306 176.555 176.600 -0.585 0.000 1.102 358 E CA 0.174 56.357 56.400 -0.361 0.000 0.927 358 E CB -0.003 29.581 29.700 -0.193 0.000 1.073 358 E HN 0.889 nan 8.360 nan 0.000 0.467 359 G N 1.108 109.385 108.800 -0.872 0.000 3.222 359 G HA2 0.423 4.387 3.960 0.006 0.000 0.263 359 G HA3 0.423 4.387 3.960 0.006 0.000 0.263 359 G C -2.665 172.173 174.900 -0.103 0.000 1.312 359 G CA -1.035 43.606 45.100 -0.765 0.000 0.934 359 G HN -0.096 nan 8.290 nan 0.000 0.577 360 P HA 0.182 nan 4.420 nan 0.000 0.266 360 P C 0.625 178.022 177.300 0.161 0.000 1.195 360 P CA 0.530 63.686 63.100 0.093 0.000 0.768 360 P CB 1.435 33.195 31.700 0.100 0.000 0.838 361 A N 3.406 126.276 122.820 0.083 0.000 1.929 361 A HA -0.156 4.168 4.320 0.006 0.000 0.216 361 A C 1.314 178.907 177.584 0.015 0.000 1.176 361 A CA 1.687 53.758 52.037 0.057 0.000 0.628 361 A CB -0.851 18.170 19.000 0.036 0.000 0.816 361 A HN 0.608 nan 8.150 nan 0.000 0.444 362 D N -0.396 120.015 120.400 0.019 0.000 2.342 362 D HA 0.111 4.755 4.640 0.006 0.000 0.221 362 D C 0.079 176.378 176.300 -0.001 0.000 1.101 362 D CA -0.249 53.753 54.000 0.002 0.000 0.837 362 D CB -0.564 40.241 40.800 0.010 0.000 0.938 362 D HN 0.286 nan 8.370 nan 0.000 0.508 363 D N 0.026 120.429 120.400 0.004 0.000 2.390 363 D HA 0.183 4.827 4.640 0.006 0.000 0.236 363 D C 1.449 177.719 176.300 -0.051 0.000 1.189 363 D CA 0.493 54.498 54.000 0.010 0.000 0.887 363 D CB 1.080 41.918 40.800 0.064 0.000 1.198 363 D HN 0.051 nan 8.370 nan 0.000 0.444 364 A N 2.706 125.513 122.820 -0.022 0.000 2.019 364 A HA -0.200 4.124 4.320 0.006 0.000 0.219 364 A C 1.773 179.310 177.584 -0.078 0.000 1.164 364 A CA 1.550 53.566 52.037 -0.034 0.000 0.644 364 A CB -0.500 18.497 19.000 -0.005 0.000 0.805 364 A HN 0.683 nan 8.150 nan 0.000 0.449 365 N N -1.123 117.497 118.700 -0.134 0.000 2.305 365 N HA -0.067 4.677 4.740 0.006 0.000 0.179 365 N C 1.612 176.900 175.510 -0.370 0.000 1.019 365 N CA 1.136 54.062 53.050 -0.207 0.000 0.869 365 N CB -0.714 37.674 38.487 -0.165 0.000 1.000 365 N HN 0.505 nan 8.380 nan 0.000 0.431 366 C N 0.746 119.675 119.300 -0.617 0.000 2.429 366 C HA 0.050 4.514 4.460 0.006 0.000 0.277 366 C C 2.400 177.250 174.990 -0.233 0.000 1.262 366 C CA 0.465 59.153 59.018 -0.549 0.000 1.733 366 C CB -1.194 26.250 27.740 -0.494 0.000 2.010 366 C HN 0.398 nan 8.230 nan 0.000 0.483 367 I N 1.304 121.777 120.570 -0.162 0.000 2.163 367 I HA -0.195 3.978 4.170 0.006 0.000 0.243 367 I C 2.830 178.903 176.117 -0.073 0.000 1.085 367 I CA 1.737 62.985 61.300 -0.088 0.000 1.347 367 I CB -0.545 37.419 38.000 -0.060 0.000 1.044 367 I HN 0.412 nan 8.210 nan 0.000 0.408 368 A N 0.618 123.390 122.820 -0.081 0.000 2.019 368 A HA -0.144 4.180 4.320 0.006 0.000 0.219 368 A C 2.224 179.789 177.584 -0.032 0.000 1.164 368 A CA 1.364 53.371 52.037 -0.049 0.000 0.644 368 A CB -0.706 18.268 19.000 -0.044 0.000 0.805 368 A HN 0.452 nan 8.150 nan 0.000 0.449 369 I N -0.922 119.616 120.570 -0.053 0.000 2.584 369 I HA -0.174 4.000 4.170 0.006 0.000 0.255 369 I C 2.209 178.324 176.117 -0.003 0.000 1.145 369 I CA 1.015 62.313 61.300 -0.003 0.000 1.462 369 I CB -0.242 37.729 38.000 -0.048 0.000 1.102 369 I HN 0.273 nan 8.210 nan 0.000 0.433 370 K N 0.890 121.267 120.400 -0.038 0.000 2.097 370 K HA -0.072 4.251 4.320 0.006 0.000 0.205 370 K C 1.382 177.965 176.600 -0.028 0.000 1.050 370 K CA 1.091 57.356 56.287 -0.037 0.000 0.938 370 K CB -0.190 32.290 32.500 -0.034 0.000 0.718 370 K HN 0.311 nan 8.250 nan 0.000 0.442 371 N N 0.534 119.220 118.700 -0.023 0.000 2.412 371 N HA -0.044 4.700 4.740 0.006 0.000 0.184 371 N C 0.279 175.779 175.510 -0.016 0.000 1.101 371 N CA 0.322 53.360 53.050 -0.019 0.000 0.881 371 N CB -0.012 38.464 38.487 -0.018 0.000 0.969 371 N HN 0.152 nan 8.380 nan 0.000 0.459 372 C N 2.365 121.661 119.300 -0.007 0.000 4.167 372 C HA -0.211 4.253 4.460 0.006 0.000 0.302 372 C C -0.010 174.973 174.990 -0.012 0.000 1.384 372 C CA -0.498 58.518 59.018 -0.004 0.000 2.041 372 C CB -2.446 25.282 27.740 -0.020 0.000 1.303 372 C HN 0.362 nan 8.230 nan 0.000 0.718 373 D N 1.538 121.932 120.400 -0.009 0.000 2.346 373 D HA 0.237 4.881 4.640 0.006 0.000 0.260 373 D C -0.322 175.971 176.300 -0.011 0.000 1.252 373 D CA -1.793 52.200 54.000 -0.013 0.000 0.895 373 D CB 0.969 41.760 40.800 -0.014 0.000 1.097 373 D HN 0.436 nan 8.370 nan 0.000 0.489 374 P HA -0.023 nan 4.420 nan 0.000 0.241 374 P C 0.564 177.856 177.300 -0.014 0.000 1.191 374 P CA 0.276 63.366 63.100 -0.017 0.000 0.771 374 P CB 0.565 32.251 31.700 -0.023 0.000 0.929 375 K N -0.407 119.985 120.400 -0.013 0.000 2.334 375 K HA 0.245 4.568 4.320 0.006 0.000 0.195 375 K C 1.449 178.043 176.600 -0.009 0.000 1.045 375 K CA 0.085 56.365 56.287 -0.012 0.000 1.004 375 K CB -0.175 32.318 32.500 -0.012 0.000 0.837 375 K HN 0.067 nan 8.250 nan 0.000 0.510 376 A N 1.833 124.648 122.820 -0.009 0.000 2.292 376 A HA 0.085 4.408 4.320 0.006 0.000 0.265 376 A C -0.096 177.486 177.584 -0.003 0.000 1.133 376 A CA -0.272 51.761 52.037 -0.008 0.000 0.807 376 A CB 0.021 19.014 19.000 -0.012 0.000 1.102 376 A HN 0.099 nan 8.150 nan 0.000 0.502 377 D N -0.240 120.159 120.400 -0.001 0.000 2.443 377 D HA 0.204 4.848 4.640 0.006 0.000 0.239 377 D C 0.121 176.428 176.300 0.012 0.000 1.136 377 D CA 0.189 54.192 54.000 0.004 0.000 0.879 377 D CB 0.398 41.203 40.800 0.008 0.000 1.195 377 D HN 0.371 nan 8.370 nan 0.000 0.443 378 L N 3.144 124.374 121.223 0.013 0.000 2.525 378 L HA 0.009 4.353 4.340 0.006 0.000 0.278 378 L C -0.199 176.698 176.870 0.045 0.000 1.218 378 L CA 0.742 55.595 54.840 0.022 0.000 0.878 378 L CB 0.108 42.174 42.059 0.011 0.000 1.127 378 L HN 0.265 nan 8.230 nan 0.000 0.492 379 M N 7.622 127.266 119.600 0.075 0.000 1.949 379 M HA 0.299 4.782 4.480 0.006 0.000 0.234 379 M C -1.137 175.275 176.300 0.187 0.000 0.855 379 M CA -0.145 55.231 55.300 0.127 0.000 0.800 379 M CB 0.839 33.519 32.600 0.133 0.000 1.697 379 M HN 0.527 nan 8.290 nan 0.000 0.357 380 L N 1.956 123.266 121.223 0.146 0.000 2.295 380 L HA 0.517 4.861 4.340 0.006 0.000 0.285 380 L C -1.409 175.588 176.870 0.211 0.000 1.035 380 L CA -0.704 54.230 54.840 0.156 0.000 0.806 380 L CB 1.734 43.829 42.059 0.059 0.000 1.214 380 L HN 0.551 nan 8.230 nan 0.000 0.426 381 Y N 4.505 124.905 120.300 0.167 0.000 2.342 381 Y HA 0.452 5.006 4.550 0.007 0.000 0.338 381 Y C -0.674 175.278 175.900 0.086 0.000 0.965 381 Y CA -0.621 57.582 58.100 0.171 0.000 1.159 381 Y CB 1.409 40.066 38.460 0.329 0.000 1.157 381 Y HN 0.251 nan 8.280 nan 0.000 0.486 382 V N 6.843 126.617 119.914 -0.234 0.000 2.334 382 V HA 0.067 4.191 4.120 0.006 0.000 0.267 382 V C 0.664 176.677 176.094 -0.135 0.000 1.040 382 V CA 0.507 62.740 62.300 -0.113 0.000 0.866 382 V CB 0.672 32.441 31.823 -0.090 0.000 1.019 382 V HN 0.988 nan 8.190 nan 0.000 0.468 383 S N 3.839 119.657 115.700 0.196 0.000 2.478 383 S HA 0.155 4.629 4.470 0.006 0.000 0.222 383 S C 0.448 175.186 174.600 0.230 0.000 1.008 383 S CA -0.035 58.386 58.200 0.369 0.000 0.928 383 S CB -0.037 63.492 63.200 0.548 0.000 0.781 383 S HN 0.857 nan 8.310 nan 0.000 0.518 384 K N -0.629 119.890 120.400 0.199 0.000 2.685 384 K HA 0.466 4.790 4.320 0.006 0.000 0.290 384 K C -1.615 175.027 176.600 0.070 0.000 1.018 384 K CA -0.973 55.349 56.287 0.058 0.000 0.860 384 K CB 0.518 33.044 32.500 0.043 0.000 1.498 384 K HN -0.110 nan 8.250 nan 0.000 0.390 385 M N 2.002 121.569 119.600 -0.055 0.000 2.238 385 M HA 0.373 4.857 4.480 0.006 0.000 0.350 385 M C -0.821 175.510 176.300 0.052 0.000 1.138 385 M CA -0.960 54.330 55.300 -0.016 0.000 1.040 385 M CB 1.274 33.744 32.600 -0.216 0.000 1.639 385 M HN 0.536 nan 8.290 nan 0.000 0.451 386 V N 5.294 125.335 119.914 0.211 0.000 2.417 386 V HA 0.403 4.527 4.120 0.006 0.000 0.291 386 V C -2.200 174.065 176.094 0.284 0.000 1.024 386 V CA -1.818 60.592 62.300 0.185 0.000 0.861 386 V CB 1.738 33.614 31.823 0.087 0.000 0.985 386 V HN 0.626 nan 8.190 nan 0.000 0.436 387 P HA 0.234 nan 4.420 nan 0.000 0.268 387 P C -0.088 177.077 177.300 -0.225 0.000 1.204 387 P CA 0.292 63.369 63.100 -0.038 0.000 0.768 387 P CB 0.528 32.246 31.700 0.029 0.000 0.842 388 T N -1.957 112.360 114.554 -0.394 0.000 2.858 388 T HA 0.430 4.784 4.350 0.006 0.000 0.285 388 T C 0.978 175.480 174.700 -0.330 0.000 1.052 388 T CA -0.203 61.626 62.100 -0.452 0.000 1.009 388 T CB 1.055 69.415 68.868 -0.847 0.000 1.241 388 T HN 0.220 nan 8.240 nan 0.000 0.542 389 S N -1.167 114.369 115.700 -0.273 0.000 2.524 389 S HA 0.116 4.590 4.470 0.006 0.000 0.216 389 S C 0.546 175.061 174.600 -0.141 0.000 0.987 389 S CA 0.189 58.284 58.200 -0.174 0.000 0.909 389 S CB -0.548 62.578 63.200 -0.123 0.000 0.781 389 S HN 0.802 nan 8.310 nan 0.000 0.521 390 D N 2.913 123.217 120.400 -0.160 0.000 2.489 390 D HA 0.240 4.883 4.640 0.006 0.000 0.237 390 D C 0.265 176.514 176.300 -0.086 0.000 1.212 390 D CA 0.243 54.198 54.000 -0.074 0.000 1.058 390 D CB -0.680 40.128 40.800 0.015 0.000 1.098 390 D HN 0.352 nan 8.370 nan 0.000 0.509 391 K N 0.998 121.347 120.400 -0.084 0.000 1.888 391 K HA -0.191 4.133 4.320 0.006 0.000 0.330 391 K C 1.048 177.555 176.600 -0.155 0.000 1.719 391 K CA 0.974 57.206 56.287 -0.091 0.000 0.669 391 K CB -1.358 31.105 32.500 -0.062 0.000 0.941 391 K HN 0.402 nan 8.250 nan 0.000 0.795 392 G N 0.998 109.701 108.800 -0.163 0.000 3.141 392 G HA2 0.002 3.966 3.960 0.006 0.000 0.218 392 G HA3 0.002 3.966 3.960 0.006 0.000 0.218 392 G C 0.080 174.740 174.900 -0.400 0.000 1.170 392 G CA -0.137 44.808 45.100 -0.259 0.000 0.769 392 G HN 0.101 nan 8.290 nan 0.000 0.546 393 R N -0.078 120.263 120.500 -0.266 0.000 2.694 393 R HA 0.276 4.620 4.340 0.006 0.000 0.268 393 R C -0.905 175.204 176.300 -0.319 0.000 1.061 393 R CA -0.086 55.909 56.100 -0.176 0.000 1.133 393 R CB 0.271 30.579 30.300 0.015 0.000 1.020 393 R HN 0.106 nan 8.270 nan 0.000 0.475 394 F N 0.945 120.934 119.950 0.066 0.000 2.480 394 F HA 0.299 4.830 4.527 0.006 0.000 0.329 394 F C 0.006 175.988 175.800 0.304 0.000 1.091 394 F CA -0.745 57.308 58.000 0.089 0.000 0.972 394 F CB 0.955 39.969 39.000 0.025 0.000 1.150 394 F HN 0.204 nan 8.300 nan 0.000 0.467 395 Y N 1.660 122.071 120.300 0.184 0.000 2.326 395 Y HA 0.571 5.125 4.550 0.006 0.000 0.337 395 Y C 0.434 176.425 175.900 0.151 0.000 1.023 395 Y CA -2.035 56.144 58.100 0.130 0.000 1.143 395 Y CB 0.825 39.346 38.460 0.101 0.000 1.183 395 Y HN 0.657 nan 8.280 nan 0.000 0.485 396 A N 4.667 127.624 122.820 0.228 0.000 2.462 396 A HA 0.380 4.703 4.320 0.006 0.000 0.243 396 A C -1.045 176.678 177.584 0.232 0.000 1.076 396 A CA -0.015 52.125 52.037 0.171 0.000 0.773 396 A CB -0.272 18.776 19.000 0.081 0.000 1.010 396 A HN 0.622 nan 8.150 nan 0.000 0.493 397 F N 1.925 121.919 119.950 0.073 0.000 2.529 397 F HA 0.682 5.213 4.527 0.006 0.000 0.320 397 F C 0.340 176.195 175.800 0.092 0.000 1.118 397 F CA 0.658 58.707 58.000 0.081 0.000 0.915 397 F CB 1.736 40.785 39.000 0.081 0.000 1.161 397 F HN 0.980 nan 8.300 nan 0.000 0.445 398 G N 4.770 113.135 108.800 -0.725 0.000 2.393 398 G HA2 0.431 4.395 3.960 0.006 0.000 0.264 398 G HA3 0.431 4.395 3.960 0.006 0.000 0.264 398 G C -2.049 172.603 174.900 -0.415 0.000 1.221 398 G CA -1.082 43.761 45.100 -0.427 0.000 0.912 398 G HN 0.793 nan 8.290 nan 0.000 0.483 399 R N -0.583 119.828 120.500 -0.147 0.000 2.584 399 R HA 0.583 4.927 4.340 0.006 0.000 0.276 399 R C -1.495 174.693 176.300 -0.187 0.000 1.046 399 R CA -0.569 55.380 56.100 -0.252 0.000 0.906 399 R CB 2.222 32.271 30.300 -0.420 0.000 1.215 399 R HN 0.459 nan 8.270 nan 0.000 0.449 400 V N 5.724 125.505 119.914 -0.221 0.000 2.372 400 V HA 0.212 4.336 4.120 0.006 0.000 0.261 400 V C 0.321 176.294 176.094 -0.203 0.000 1.055 400 V CA 0.044 62.272 62.300 -0.119 0.000 0.930 400 V CB 0.535 32.307 31.823 -0.086 0.000 1.031 400 V HN 0.747 nan 8.190 nan 0.000 0.479 401 F N 2.702 122.654 119.950 0.004 0.000 2.754 401 F HA 0.556 5.087 4.527 0.006 0.000 0.297 401 F C 1.172 176.958 175.800 -0.022 0.000 1.122 401 F CA 0.723 58.716 58.000 -0.012 0.000 1.400 401 F CB 0.411 39.414 39.000 0.005 0.000 1.117 401 F HN 0.603 nan 8.300 nan 0.000 0.587 402 A N -1.000 121.895 122.820 0.126 0.000 2.594 402 A HA 0.593 4.917 4.320 0.006 0.000 0.296 402 A C 0.151 177.753 177.584 0.031 0.000 1.056 402 A CA -0.264 51.809 52.037 0.060 0.000 0.693 402 A CB 0.220 19.252 19.000 0.054 0.000 1.278 402 A HN 0.690 nan 8.150 nan 0.000 0.408 403 G N 0.146 108.951 108.800 0.009 0.000 2.645 403 G HA2 0.289 4.253 3.960 0.006 0.000 0.239 403 G HA3 0.289 4.253 3.960 0.006 0.000 0.239 403 G C -0.170 174.725 174.900 -0.009 0.000 1.331 403 G CA 0.059 45.159 45.100 -0.000 0.000 0.890 403 G HN 1.943 nan 8.290 nan 0.000 0.572 404 T N -0.441 114.106 114.554 -0.011 0.000 2.879 404 T HA 0.550 4.904 4.350 0.006 0.000 0.290 404 T C -0.241 174.450 174.700 -0.016 0.000 0.993 404 T CA 0.198 62.287 62.100 -0.017 0.000 0.975 404 T CB 2.050 70.907 68.868 -0.019 0.000 0.981 404 T HN 1.489 nan 8.240 nan 0.000 0.439 405 V N 4.228 124.131 119.914 -0.020 0.000 2.546 405 V HA 0.569 4.693 4.120 0.006 0.000 0.284 405 V C -0.636 175.445 176.094 -0.021 0.000 1.050 405 V CA -0.006 62.282 62.300 -0.019 0.000 0.981 405 V CB 0.651 32.461 31.823 -0.023 0.000 0.990 405 V HN 0.761 nan 8.190 nan 0.000 0.474 406 K N 4.211 124.600 120.400 -0.019 0.000 2.426 406 K HA 0.504 4.827 4.320 0.006 0.000 0.251 406 K C -0.580 176.008 176.600 -0.020 0.000 0.941 406 K CA -0.645 55.631 56.287 -0.019 0.000 0.808 406 K CB 2.095 34.585 32.500 -0.016 0.000 1.265 406 K HN 0.584 nan 8.250 nan 0.000 0.432 407 S N 0.649 116.338 115.700 -0.019 0.000 2.516 407 S HA 0.257 4.731 4.470 0.006 0.000 0.282 407 S C 1.189 175.779 174.600 -0.016 0.000 1.286 407 S CA 0.873 59.062 58.200 -0.019 0.000 1.066 407 S CB 0.567 63.757 63.200 -0.017 0.000 0.884 407 S HN 0.968 nan 8.310 nan 0.000 0.491 408 G N 2.382 111.173 108.800 -0.015 0.000 2.253 408 G HA2 -0.289 3.675 3.960 0.006 0.000 0.251 408 G HA3 -0.289 3.675 3.960 0.006 0.000 0.251 408 G C 0.161 175.053 174.900 -0.013 0.000 0.998 408 G CA 0.258 45.351 45.100 -0.011 0.000 0.621 408 G HN 0.728 nan 8.290 nan 0.000 0.524 409 Q N 1.482 121.272 119.800 -0.016 0.000 2.263 409 Q HA 0.287 4.631 4.340 0.006 0.000 0.289 409 Q C 0.068 176.055 176.000 -0.022 0.000 1.061 409 Q CA 0.342 56.134 55.803 -0.018 0.000 0.927 409 Q CB 0.215 28.942 28.738 -0.018 0.000 1.154 409 Q HN 0.477 nan 8.270 nan 0.000 0.378 410 K N 2.958 123.343 120.400 -0.024 0.000 2.297 410 K HA 0.344 4.668 4.320 0.006 0.000 0.286 410 K C -0.892 175.685 176.600 -0.038 0.000 1.053 410 K CA -0.428 55.839 56.287 -0.034 0.000 0.940 410 K CB 1.271 33.752 32.500 -0.032 0.000 1.019 410 K HN 0.363 nan 8.250 nan 0.000 0.475 411 V N 2.767 122.651 119.914 -0.050 0.000 3.040 411 V HA 0.376 4.500 4.120 0.006 0.000 0.312 411 V C -0.370 175.681 176.094 -0.071 0.000 1.115 411 V CA -1.250 61.019 62.300 -0.051 0.000 0.998 411 V CB 2.077 33.876 31.823 -0.041 0.000 1.042 411 V HN 0.702 nan 8.190 nan 0.000 0.433 412 R N 2.370 122.825 120.500 -0.075 0.000 2.248 412 R HA 0.489 4.833 4.340 0.006 0.000 0.337 412 R C -0.661 175.565 176.300 -0.125 0.000 1.106 412 R CA -0.179 55.857 56.100 -0.107 0.000 0.959 412 R CB 0.335 30.559 30.300 -0.127 0.000 1.075 412 R HN 0.560 nan 8.270 nan 0.000 0.480 413 I N 4.169 124.690 120.570 -0.082 0.000 2.389 413 I HA -0.025 4.148 4.170 0.006 0.000 0.295 413 I C 0.304 176.398 176.117 -0.039 0.000 1.117 413 I CA 0.298 61.579 61.300 -0.031 0.000 1.317 413 I CB 0.248 38.265 38.000 0.029 0.000 1.431 413 I HN 0.401 nan 8.210 nan 0.000 0.521 414 Q N 5.392 125.088 119.800 -0.173 0.000 2.390 414 Q HA 0.361 4.705 4.340 0.006 0.000 0.249 414 Q C 0.624 176.598 176.000 -0.044 0.000 0.996 414 Q CA -0.454 55.158 55.803 -0.319 0.000 0.899 414 Q CB 1.748 30.097 28.738 -0.649 0.000 1.216 414 Q HN 0.787 nan 8.270 nan 0.000 0.465 415 G N 2.806 111.675 108.800 0.115 0.000 2.553 415 G HA2 0.127 4.091 3.960 0.006 0.000 0.278 415 G HA3 0.127 4.091 3.960 0.006 0.000 0.278 415 G C -1.753 173.241 174.900 0.156 0.000 1.349 415 G CA -1.012 44.180 45.100 0.153 0.000 1.037 415 G HN 0.344 nan 8.290 nan 0.000 0.508 416 P HA -0.108 nan 4.420 nan 0.000 0.214 416 P C 1.599 178.983 177.300 0.140 0.000 1.163 416 P CA 0.981 64.159 63.100 0.130 0.000 0.883 416 P CB 0.151 31.927 31.700 0.126 0.000 0.788 417 N N -1.812 116.975 118.700 0.145 0.000 2.550 417 N HA -0.097 4.647 4.740 0.006 0.000 0.186 417 N C 0.354 175.932 175.510 0.114 0.000 1.110 417 N CA 0.149 53.269 53.050 0.116 0.000 0.912 417 N CB -0.538 38.011 38.487 0.104 0.000 0.968 417 N HN 0.221 nan 8.380 nan 0.000 0.448 418 Y N 0.951 121.275 120.300 0.040 0.000 2.597 418 Y HA 0.085 4.639 4.550 0.006 0.000 0.336 418 Y C -0.160 175.743 175.900 0.005 0.000 1.216 418 Y CA 0.284 58.393 58.100 0.016 0.000 1.463 418 Y CB 0.558 39.029 38.460 0.019 0.000 1.303 418 Y HN -0.305 nan 8.280 nan 0.000 0.576 419 V N 8.357 127.791 119.914 -0.801 0.000 2.777 419 V HA 0.186 4.310 4.120 0.006 0.000 0.306 419 V C -1.897 173.671 176.094 -0.875 0.000 1.112 419 V CA -1.523 60.442 62.300 -0.558 0.000 0.917 419 V CB 1.914 33.584 31.823 -0.254 0.000 1.018 419 V HN 0.650 nan 8.190 nan 0.000 0.426 420 P HA -0.183 nan 4.420 nan 0.000 0.218 420 P C 1.478 178.617 177.300 -0.267 0.000 1.150 420 P CA 1.953 64.860 63.100 -0.322 0.000 0.841 420 P CB 0.268 31.784 31.700 -0.306 0.000 0.784 421 G N -0.370 108.284 108.800 -0.243 0.000 2.736 421 G HA2 -0.162 3.801 3.960 0.006 0.000 0.214 421 G HA3 -0.162 3.801 3.960 0.006 0.000 0.214 421 G C 0.635 175.429 174.900 -0.177 0.000 1.327 421 G CA 0.698 45.701 45.100 -0.161 0.000 0.818 421 G HN 0.195 nan 8.290 nan 0.000 0.611 422 K N -0.162 120.118 120.400 -0.201 0.000 2.188 422 K HA 0.312 4.636 4.320 0.006 0.000 0.246 422 K C 0.745 177.220 176.600 -0.208 0.000 1.026 422 K CA 0.319 56.504 56.287 -0.170 0.000 0.871 422 K CB 0.381 32.796 32.500 -0.142 0.000 1.042 422 K HN 0.142 nan 8.250 nan 0.000 0.509 423 K N 1.037 121.360 120.400 -0.128 0.000 2.593 423 K HA 0.144 4.468 4.320 0.006 0.000 0.208 423 K C -0.927 175.624 176.600 -0.082 0.000 1.051 423 K CA -0.150 56.087 56.287 -0.085 0.000 1.111 423 K CB 0.477 32.940 32.500 -0.061 0.000 0.849 423 K HN 0.470 nan 8.250 nan 0.000 0.479 424 D N 1.698 122.040 120.400 -0.098 0.000 2.345 424 D HA -0.013 4.630 4.640 0.006 0.000 0.247 424 D C 0.440 176.756 176.300 0.027 0.000 1.108 424 D CA 0.408 54.377 54.000 -0.052 0.000 0.894 424 D CB 0.777 41.555 40.800 -0.037 0.000 1.203 424 D HN 0.118 nan 8.370 nan 0.000 0.430 425 D N 0.450 120.851 120.400 0.002 0.000 2.870 425 D HA -0.203 4.441 4.640 0.006 0.000 0.228 425 D C -0.938 175.424 176.300 0.103 0.000 1.147 425 D CA 0.356 54.426 54.000 0.117 0.000 0.757 425 D CB -0.769 40.165 40.800 0.224 0.000 1.091 425 D HN 0.224 nan 8.370 nan 0.000 0.429 426 L N 0.370 121.468 121.223 -0.208 0.000 2.341 426 L HA 0.685 5.029 4.340 0.006 0.000 0.278 426 L C -1.263 175.239 176.870 -0.612 0.000 1.005 426 L CA -0.546 54.193 54.840 -0.169 0.000 0.818 426 L CB 1.254 43.362 42.059 0.081 0.000 1.259 426 L HN -0.054 nan 8.230 nan 0.000 0.418 427 F N 5.919 125.813 119.950 -0.093 0.000 2.612 427 F HA 0.463 4.994 4.527 0.006 0.000 0.332 427 F C -0.129 175.510 175.800 -0.269 0.000 1.167 427 F CA -0.533 57.344 58.000 -0.206 0.000 0.970 427 F CB 1.316 40.127 39.000 -0.316 0.000 1.234 427 F HN 0.241 nan 8.300 nan 0.000 0.453 428 I N 5.005 125.517 120.570 -0.098 0.000 2.224 428 I HA 0.235 4.409 4.170 0.006 0.000 0.293 428 I C -0.028 175.998 176.117 -0.150 0.000 1.155 428 I CA -0.281 60.953 61.300 -0.109 0.000 1.297 428 I CB -0.334 37.621 38.000 -0.075 0.000 1.487 428 I HN 0.422 nan 8.210 nan 0.000 0.564 429 K N 3.498 123.763 120.400 -0.225 0.000 2.354 429 K HA 0.863 5.187 4.320 0.006 0.000 0.238 429 K C -0.458 176.072 176.600 -0.117 0.000 1.068 429 K CA -0.917 55.229 56.287 -0.234 0.000 0.925 429 K CB 1.759 33.945 32.500 -0.523 0.000 1.286 429 K HN 0.368 nan 8.250 nan 0.000 0.500 430 A N 0.914 123.698 122.820 -0.060 0.000 2.350 430 A HA 0.545 4.869 4.320 0.006 0.000 0.324 430 A C -0.382 177.201 177.584 -0.002 0.000 1.118 430 A CA -0.731 51.291 52.037 -0.025 0.000 0.783 430 A CB 0.441 19.434 19.000 -0.012 0.000 1.236 430 A HN 0.493 nan 8.150 nan 0.000 0.457 431 I N 2.978 123.542 120.570 -0.010 0.000 2.406 431 I HA -0.009 4.165 4.170 0.006 0.000 0.293 431 I C 1.639 177.748 176.117 -0.014 0.000 1.101 431 I CA 0.647 61.941 61.300 -0.010 0.000 1.334 431 I CB 0.170 38.157 38.000 -0.022 0.000 1.421 431 I HN 1.070 nan 8.210 nan 0.000 0.513 432 Q N 6.808 126.601 119.800 -0.012 0.000 2.030 432 Q HA -0.088 4.255 4.340 0.006 0.000 0.204 432 Q C 0.239 176.216 176.000 -0.038 0.000 0.986 432 Q CA 1.601 57.392 55.803 -0.019 0.000 0.843 432 Q CB 0.487 29.213 28.738 -0.020 0.000 0.904 432 Q HN 0.591 nan 8.270 nan 0.000 0.420 433 R N -0.751 119.706 120.500 -0.070 0.000 2.604 433 R HA 0.433 4.777 4.340 0.006 0.000 0.270 433 R C -1.866 174.381 176.300 -0.088 0.000 1.052 433 R CA -0.581 55.475 56.100 -0.073 0.000 0.902 433 R CB 2.551 32.804 30.300 -0.078 0.000 1.233 433 R HN -0.033 nan 8.270 nan 0.000 0.455 434 V N 3.765 123.647 119.914 -0.053 0.000 2.394 434 V HA 0.522 4.645 4.120 0.006 0.000 0.282 434 V C -0.200 175.881 176.094 -0.021 0.000 1.031 434 V CA -0.548 61.727 62.300 -0.042 0.000 0.881 434 V CB 1.567 33.373 31.823 -0.027 0.000 0.982 434 V HN 0.563 nan 8.190 nan 0.000 0.451 435 V N 3.507 123.417 119.914 -0.006 0.000 2.925 435 V HA 0.645 4.769 4.120 0.006 0.000 0.311 435 V C -0.654 175.486 176.094 0.077 0.000 1.104 435 V CA -1.044 61.281 62.300 0.042 0.000 0.954 435 V CB 1.899 33.763 31.823 0.068 0.000 1.022 435 V HN 0.622 nan 8.190 nan 0.000 0.427 436 L N 4.223 125.500 121.223 0.090 0.000 2.380 436 L HA 0.440 4.784 4.340 0.006 0.000 0.273 436 L C 0.393 177.356 176.870 0.155 0.000 1.138 436 L CA -0.320 54.586 54.840 0.108 0.000 0.832 436 L CB 0.909 43.026 42.059 0.097 0.000 1.124 436 L HN 0.571 nan 8.230 nan 0.000 0.454 437 M N 4.580 124.289 119.600 0.181 0.000 3.347 437 M HA 0.219 4.703 4.480 0.006 0.000 0.260 437 M C -0.212 176.189 176.300 0.169 0.000 1.362 437 M CA 0.013 55.435 55.300 0.204 0.000 1.497 437 M CB 0.295 33.074 32.600 0.298 0.000 1.080 437 M HN 0.559 nan 8.290 nan 0.000 0.592 438 M N 1.572 121.273 119.600 0.168 0.000 3.705 438 M HA 0.164 4.648 4.480 0.006 0.000 0.191 438 M C 1.323 177.727 176.300 0.175 0.000 1.570 438 M CA 0.362 55.764 55.300 0.171 0.000 1.714 438 M CB -1.733 30.980 32.600 0.189 0.000 1.148 438 M HN 0.881 nan 8.290 nan 0.000 0.547 439 G N 2.402 111.265 108.800 0.105 0.000 3.879 439 G HA2 -0.373 3.590 3.960 0.006 0.000 0.318 439 G HA3 -0.373 3.590 3.960 0.006 0.000 0.318 439 G C 1.107 175.975 174.900 -0.053 0.000 1.344 439 G CA 0.440 45.563 45.100 0.039 0.000 1.024 439 G HN 0.556 nan 8.290 nan 0.000 0.681 440 R N -0.008 120.398 120.500 -0.156 0.000 2.362 440 R HA 0.460 4.804 4.340 0.006 0.000 0.227 440 R C -0.029 175.832 176.300 -0.731 0.000 0.905 440 R CA 0.019 55.812 56.100 -0.511 0.000 1.067 440 R CB 0.203 30.041 30.300 -0.770 0.000 1.078 440 R HN 0.299 nan 8.270 nan 0.000 0.516 441 F N -1.215 118.742 119.950 0.012 0.000 2.631 441 F HA 0.492 5.022 4.527 0.006 0.000 0.328 441 F C -0.080 175.753 175.800 0.054 0.000 1.067 441 F CA -1.331 56.682 58.000 0.022 0.000 0.969 441 F CB 1.260 40.271 39.000 0.019 0.000 1.332 441 F HN -0.450 nan 8.300 nan 0.000 0.490 442 V N 0.997 121.076 119.914 0.275 0.000 2.604 442 V HA 0.468 4.592 4.120 0.006 0.000 0.305 442 V C -0.940 175.257 176.094 0.172 0.000 1.043 442 V CA -0.667 61.763 62.300 0.216 0.000 0.888 442 V CB 1.850 33.822 31.823 0.248 0.000 0.995 442 V HN 0.590 nan 8.190 nan 0.000 0.429 443 E N 4.843 125.126 120.200 0.139 0.000 2.325 443 E HA 0.370 4.724 4.350 0.006 0.000 0.248 443 E C -2.794 173.849 176.600 0.072 0.000 0.912 443 E CA -2.032 54.425 56.400 0.095 0.000 0.782 443 E CB 2.205 31.956 29.700 0.084 0.000 1.264 443 E HN 0.372 nan 8.360 nan 0.000 0.417 444 P HA 0.142 nan 4.420 nan 0.000 0.268 444 P C -0.117 177.196 177.300 0.022 0.000 1.204 444 P CA 0.213 63.333 63.100 0.033 0.000 0.768 444 P CB 0.396 32.113 31.700 0.028 0.000 0.842 445 I N -1.472 119.104 120.570 0.011 0.000 2.969 445 I HA 0.456 4.630 4.170 0.006 0.000 0.307 445 I C 0.225 176.338 176.117 -0.005 0.000 1.149 445 I CA -0.973 60.330 61.300 0.003 0.000 1.008 445 I CB 2.257 40.259 38.000 0.004 0.000 1.232 445 I HN 0.012 nan 8.210 nan 0.000 0.435 446 D N 2.289 122.684 120.400 -0.008 0.000 2.087 446 D HA -0.117 4.527 4.640 0.006 0.000 0.192 446 D C 0.131 176.422 176.300 -0.015 0.000 0.993 446 D CA 2.386 56.379 54.000 -0.012 0.000 0.828 446 D CB 0.012 40.804 40.800 -0.013 0.000 0.968 446 D HN 0.886 nan 8.370 nan 0.000 0.448 447 D N -2.444 117.946 120.400 -0.016 0.000 2.812 447 D HA 0.379 5.023 4.640 0.006 0.000 0.318 447 D C -1.217 175.071 176.300 -0.021 0.000 1.234 447 D CA -0.849 53.140 54.000 -0.019 0.000 0.989 447 D CB 1.648 42.436 40.800 -0.019 0.000 1.442 447 D HN 0.102 nan 8.370 nan 0.000 0.537 448 C N 1.086 120.371 119.300 -0.025 0.000 3.029 448 C HA 0.494 4.957 4.460 0.006 0.000 0.396 448 C C -2.853 172.115 174.990 -0.036 0.000 1.072 448 C CA -0.743 58.257 59.018 -0.031 0.000 1.269 448 C CB 0.557 28.277 27.740 -0.033 0.000 1.684 448 C HN 0.541 nan 8.230 nan 0.000 0.510 449 P HA 0.311 nan 4.420 nan 0.000 0.273 449 P C -0.132 177.136 177.300 -0.053 0.000 1.250 449 P CA 0.183 63.260 63.100 -0.040 0.000 0.793 449 P CB 0.678 32.355 31.700 -0.038 0.000 1.011 450 A N 0.329 123.119 122.820 -0.049 0.000 2.498 450 A HA 0.432 4.756 4.320 0.006 0.000 0.239 450 A C 1.384 178.912 177.584 -0.094 0.000 1.068 450 A CA 0.875 52.873 52.037 -0.066 0.000 0.766 450 A CB -1.367 17.614 19.000 -0.033 0.000 1.003 450 A HN 0.867 nan 8.150 nan 0.000 0.497 451 G N 1.614 110.317 108.800 -0.161 0.000 2.253 451 G HA2 -0.181 3.783 3.960 0.006 0.000 0.209 451 G HA3 -0.181 3.783 3.960 0.006 0.000 0.209 451 G C 0.085 174.878 174.900 -0.179 0.000 0.997 451 G CA 0.082 45.078 45.100 -0.173 0.000 0.640 451 G HN 0.810 nan 8.290 nan 0.000 0.496 452 N N 0.125 118.729 118.700 -0.160 0.000 2.466 452 N HA 0.621 5.364 4.740 0.006 0.000 0.294 452 N C -0.823 174.586 175.510 -0.168 0.000 1.129 452 N CA -0.492 52.482 53.050 -0.127 0.000 0.931 452 N CB 1.689 40.130 38.487 -0.076 0.000 1.193 452 N HN 0.052 nan 8.380 nan 0.000 0.500 453 I N 1.642 122.131 120.570 -0.135 0.000 2.428 453 I HA 0.340 4.514 4.170 0.006 0.000 0.289 453 I C 0.076 176.110 176.117 -0.139 0.000 1.019 453 I CA -0.075 61.113 61.300 -0.186 0.000 1.351 453 I CB 0.733 38.655 38.000 -0.130 0.000 1.412 453 I HN 0.437 nan 8.210 nan 0.000 0.513 454 I N 3.619 124.064 120.570 -0.209 0.000 3.181 454 I HA 0.756 4.930 4.170 0.006 0.000 0.311 454 I C -0.487 175.578 176.117 -0.086 0.000 1.287 454 I CA -0.246 60.997 61.300 -0.095 0.000 0.958 454 I CB 2.236 40.195 38.000 -0.069 0.000 1.294 454 I HN 0.522 nan 8.210 nan 0.000 0.467 455 G N 3.848 112.667 108.800 0.032 0.000 2.473 455 G HA2 0.748 4.711 3.960 0.006 0.000 0.321 455 G HA3 0.748 4.711 3.960 0.006 0.000 0.321 455 G C -1.735 173.174 174.900 0.015 0.000 1.200 455 G CA -0.624 44.531 45.100 0.092 0.000 0.963 455 G HN 0.596 nan 8.290 nan 0.000 0.483 456 L N 0.073 121.292 121.223 -0.007 0.000 2.333 456 L HA 0.680 5.024 4.340 0.006 0.000 0.263 456 L C -0.672 176.062 176.870 -0.226 0.000 1.014 456 L CA -1.243 53.546 54.840 -0.085 0.000 0.820 456 L CB 2.449 44.487 42.059 -0.036 0.000 1.352 456 L HN 0.208 nan 8.230 nan 0.000 0.421 457 V N 0.275 120.025 119.914 -0.274 0.000 2.540 457 V HA 0.700 4.824 4.120 0.006 0.000 0.302 457 V C 0.454 176.458 176.094 -0.150 0.000 1.035 457 V CA -0.175 61.880 62.300 -0.408 0.000 0.873 457 V CB 1.382 32.905 31.823 -0.500 0.000 0.992 457 V HN 0.995 nan 8.190 nan 0.000 0.428 458 G N 4.178 112.931 108.800 -0.078 0.000 2.370 458 G HA2 -0.160 3.804 3.960 0.006 0.000 0.268 458 G HA3 -0.160 3.804 3.960 0.006 0.000 0.268 458 G C -0.053 174.910 174.900 0.105 0.000 1.122 458 G CA 0.310 45.420 45.100 0.016 0.000 0.963 458 G HN 0.721 nan 8.290 nan 0.000 0.500 459 I N -0.569 120.041 120.570 0.067 0.000 4.887 459 I HA 0.040 4.214 4.170 0.006 0.000 0.349 459 I C 1.863 177.972 176.117 -0.014 0.000 1.266 459 I CA 0.455 61.845 61.300 0.149 0.000 1.376 459 I CB 0.125 38.197 38.000 0.120 0.000 1.556 459 I HN 0.315 nan 8.210 nan 0.000 0.530 460 D N 2.004 122.384 120.400 -0.033 0.000 2.311 460 D HA -0.256 4.388 4.640 0.006 0.000 0.212 460 D C 1.609 177.801 176.300 -0.181 0.000 0.972 460 D CA 1.015 55.001 54.000 -0.023 0.000 0.887 460 D CB -0.174 40.728 40.800 0.171 0.000 0.915 460 D HN 0.502 nan 8.370 nan 0.000 0.497 461 Q N -0.365 119.171 119.800 -0.440 0.000 2.360 461 Q HA 0.013 4.356 4.340 0.006 0.000 0.202 461 Q C 0.639 176.127 176.000 -0.854 0.000 0.915 461 Q CA 0.163 55.588 55.803 -0.630 0.000 0.943 461 Q CB -0.232 28.068 28.738 -0.730 0.000 1.064 461 Q HN 0.290 nan 8.270 nan 0.000 0.511 462 F N 0.154 119.901 119.950 -0.340 0.000 2.711 462 F HA 0.395 4.926 4.527 0.006 0.000 0.296 462 F C 0.771 176.279 175.800 -0.488 0.000 1.096 462 F CA -0.242 57.338 58.000 -0.699 0.000 1.280 462 F CB 0.736 39.348 39.000 -0.647 0.000 1.060 462 F HN -0.138 nan 8.300 nan 0.000 0.608 463 L N 1.088 122.244 121.223 -0.111 0.000 2.333 463 L HA 0.284 4.628 4.340 0.006 0.000 0.280 463 L C 0.694 177.500 176.870 -0.107 0.000 1.004 463 L CA -0.602 54.194 54.840 -0.074 0.000 0.820 463 L CB 2.388 44.427 42.059 -0.033 0.000 1.247 463 L HN 0.019 nan 8.230 nan 0.000 0.416 464 L N 3.862 125.027 121.223 -0.097 0.000 2.007 464 L HA -0.048 4.296 4.340 0.006 0.000 0.205 464 L C 1.676 178.422 176.870 -0.207 0.000 1.073 464 L CA 2.086 56.844 54.840 -0.136 0.000 0.744 464 L CB -0.233 41.776 42.059 -0.083 0.000 0.898 464 L HN 0.658 nan 8.230 nan 0.000 0.435 465 K N -2.353 117.936 120.400 -0.186 0.000 2.735 465 K HA 0.214 4.538 4.320 0.006 0.000 0.197 465 K C 0.200 176.692 176.600 -0.180 0.000 1.468 465 K CA 0.765 56.889 56.287 -0.272 0.000 1.109 465 K CB 0.835 33.035 32.500 -0.501 0.000 1.732 465 K HN 0.418 nan 8.250 nan 0.000 0.541 466 T N -1.270 113.221 114.554 -0.106 0.000 2.887 466 T HA 0.798 5.152 4.350 0.006 0.000 0.292 466 T C 0.042 174.698 174.700 -0.074 0.000 1.087 466 T CA -0.415 61.639 62.100 -0.078 0.000 1.009 466 T CB 2.526 71.405 68.868 0.017 0.000 1.203 466 T HN 0.304 nan 8.240 nan 0.000 0.518 467 G N -0.107 108.592 108.800 -0.169 0.000 2.315 467 G HA2 0.495 4.459 3.960 0.006 0.000 0.294 467 G HA3 0.495 4.459 3.960 0.006 0.000 0.294 467 G C -1.415 173.369 174.900 -0.194 0.000 1.300 467 G CA -0.655 44.372 45.100 -0.122 0.000 0.843 467 G HN 0.890 nan 8.290 nan 0.000 0.527 468 T N 0.608 115.100 114.554 -0.105 0.000 2.812 468 T HA 0.596 4.950 4.350 0.006 0.000 0.282 468 T C -0.705 173.959 174.700 -0.060 0.000 0.990 468 T CA -0.362 61.697 62.100 -0.068 0.000 0.960 468 T CB 1.566 70.431 68.868 -0.005 0.000 0.948 468 T HN 0.388 nan 8.240 nan 0.000 0.438 469 L N 3.279 124.488 121.223 -0.025 0.000 2.289 469 L HA 0.649 4.993 4.340 0.006 0.000 0.285 469 L C 0.497 177.361 176.870 -0.011 0.000 1.049 469 L CA 0.253 55.076 54.840 -0.029 0.000 0.804 469 L CB 1.386 43.437 42.059 -0.014 0.000 1.195 469 L HN 0.731 nan 8.230 nan 0.000 0.428 470 T N 0.647 115.178 114.554 -0.039 0.000 2.883 470 T HA 0.458 4.812 4.350 0.006 0.000 0.301 470 T C 0.321 175.004 174.700 -0.027 0.000 1.158 470 T CA -0.493 61.595 62.100 -0.019 0.000 1.007 470 T CB 1.867 70.719 68.868 -0.026 0.000 1.186 470 T HN 0.516 nan 8.240 nan 0.000 0.499 471 T N 0.258 114.807 114.554 -0.008 0.000 3.043 471 T HA 0.266 4.620 4.350 0.006 0.000 0.272 471 T C 0.459 175.158 174.700 -0.002 0.000 0.990 471 T CA -0.177 61.917 62.100 -0.011 0.000 0.897 471 T CB 0.438 69.301 68.868 -0.008 0.000 1.111 471 T HN 0.482 nan 8.240 nan 0.000 0.529 472 S N 2.625 118.330 115.700 0.009 0.000 2.456 472 S HA 0.226 4.700 4.470 0.006 0.000 0.316 472 S C 0.694 175.310 174.600 0.027 0.000 1.089 472 S CA -0.758 57.454 58.200 0.020 0.000 1.101 472 S CB 0.937 64.157 63.200 0.032 0.000 0.995 472 S HN 0.499 nan 8.310 nan 0.000 0.468 473 E N 2.841 123.056 120.200 0.025 0.000 2.365 473 E HA 0.032 4.386 4.350 0.006 0.000 0.188 473 E C 0.584 177.208 176.600 0.041 0.000 1.102 473 E CA 0.373 56.797 56.400 0.040 0.000 0.927 473 E CB -0.404 29.314 29.700 0.030 0.000 1.073 473 E HN 0.608 nan 8.360 nan 0.000 0.467 474 T N -3.390 111.187 114.554 0.038 0.000 3.144 474 T HA 0.471 4.825 4.350 0.006 0.000 0.290 474 T C 0.424 175.142 174.700 0.030 0.000 0.966 474 T CA -0.098 62.013 62.100 0.018 0.000 0.907 474 T CB 0.740 69.632 68.868 0.039 0.000 1.152 474 T HN 0.245 nan 8.240 nan 0.000 0.532 475 A N 1.478 124.345 122.820 0.079 0.000 2.301 475 A HA 0.675 4.999 4.320 0.006 0.000 0.298 475 A C -0.434 177.229 177.584 0.132 0.000 1.185 475 A CA -0.499 51.657 52.037 0.198 0.000 0.830 475 A CB 0.089 19.207 19.000 0.197 0.000 1.112 475 A HN 0.625 nan 8.150 nan 0.000 0.508 476 H N 1.270 120.450 119.070 0.183 0.000 2.546 476 H HA 0.249 4.809 4.556 0.006 0.000 0.365 476 H C 0.498 175.821 175.328 -0.008 0.000 1.220 476 H CA -0.142 55.909 56.048 0.006 0.000 1.386 476 H CB 0.434 30.031 29.762 -0.275 0.000 1.510 476 H HN 0.675 nan 8.280 nan 0.000 0.591 477 N N 0.563 119.347 118.700 0.141 0.000 2.340 477 N HA 0.009 4.753 4.740 0.006 0.000 0.236 477 N C -0.101 175.431 175.510 0.037 0.000 1.296 477 N CA 0.294 53.399 53.050 0.092 0.000 0.896 477 N CB 0.412 38.965 38.487 0.109 0.000 1.127 477 N HN 0.442 nan 8.380 nan 0.000 0.442 478 M N 0.523 120.193 119.600 0.117 0.000 2.342 478 M HA 0.144 4.628 4.480 0.006 0.000 0.332 478 M C 0.454 176.858 176.300 0.175 0.000 1.166 478 M CA -0.892 54.507 55.300 0.165 0.000 1.086 478 M CB 0.784 33.570 32.600 0.309 0.000 1.541 478 M HN 0.301 nan 8.290 nan 0.000 0.462 479 K N 2.384 122.855 120.400 0.118 0.000 2.327 479 K HA -0.036 4.288 4.320 0.006 0.000 0.254 479 K C -0.651 176.066 176.600 0.195 0.000 1.251 479 K CA 0.071 56.420 56.287 0.104 0.000 1.261 479 K CB -0.774 31.756 32.500 0.049 0.000 0.766 479 K HN 0.483 nan 8.250 nan 0.000 0.510 480 V N 3.154 123.146 119.914 0.131 0.000 2.715 480 V HA 0.281 4.405 4.120 0.006 0.000 0.299 480 V C 0.212 176.383 176.094 0.128 0.000 1.054 480 V CA -0.264 62.116 62.300 0.134 0.000 1.077 480 V CB 0.844 32.721 31.823 0.091 0.000 0.972 480 V HN 0.664 nan 8.190 nan 0.000 0.484 481 M N 4.702 124.402 119.600 0.167 0.000 2.047 481 M HA 0.439 4.923 4.480 0.006 0.000 0.342 481 M C -0.115 176.155 176.300 -0.051 0.000 1.058 481 M CA -0.360 54.991 55.300 0.086 0.000 0.991 481 M CB 1.214 33.979 32.600 0.275 0.000 1.474 481 M HN 0.664 nan 8.290 nan 0.000 0.419 482 K N 3.225 123.506 120.400 -0.199 0.000 2.436 482 K HA 0.334 4.658 4.320 0.006 0.000 0.282 482 K C -1.154 175.164 176.600 -0.470 0.000 1.044 482 K CA 0.645 56.818 56.287 -0.189 0.000 1.028 482 K CB 0.387 32.805 32.500 -0.136 0.000 0.919 482 K HN 0.349 nan 8.250 nan 0.000 0.474 483 F N -0.186 119.783 119.950 0.030 0.000 2.675 483 F HA 0.475 5.006 4.527 0.006 0.000 0.324 483 F C 0.135 175.957 175.800 0.035 0.000 1.106 483 F CA -0.864 57.146 58.000 0.016 0.000 0.970 483 F CB 2.303 41.299 39.000 -0.006 0.000 1.385 483 F HN 0.329 nan 8.300 nan 0.000 0.489 484 S N -0.271 115.578 115.700 0.249 0.000 2.548 484 S HA 0.356 4.830 4.470 0.006 0.000 0.278 484 S C -0.626 174.025 174.600 0.085 0.000 1.150 484 S CA -0.424 57.875 58.200 0.165 0.000 0.907 484 S CB 1.736 65.061 63.200 0.208 0.000 1.108 484 S HN 0.575 nan 8.310 nan 0.000 0.459 485 V N 4.244 124.185 119.914 0.045 0.000 3.649 485 V HA 0.236 4.360 4.120 0.006 0.000 0.275 485 V C 0.703 176.780 176.094 -0.029 0.000 1.281 485 V CA 0.999 63.297 62.300 -0.002 0.000 1.143 485 V CB -0.316 31.503 31.823 -0.007 0.000 0.892 485 V HN 0.912 nan 8.190 nan 0.000 0.441 486 S N 2.469 118.124 115.700 -0.074 0.000 2.481 486 S HA 0.255 4.728 4.470 0.006 0.000 0.282 486 S C -2.382 172.113 174.600 -0.175 0.000 1.243 486 S CA -0.966 57.105 58.200 -0.214 0.000 1.078 486 S CB 0.636 63.457 63.200 -0.632 0.000 0.916 486 S HN 0.367 nan 8.310 nan 0.000 0.495 487 P HA 0.154 nan 4.420 nan 0.000 0.244 487 P C 0.972 178.251 177.300 -0.035 0.000 1.769 487 P CA -0.522 62.576 63.100 -0.003 0.000 1.102 487 P CB 0.150 31.888 31.700 0.063 0.000 1.937 488 V N 1.354 121.201 119.914 -0.112 0.000 3.306 488 V HA 0.025 4.149 4.120 0.006 0.000 0.264 488 V C 0.685 176.748 176.094 -0.051 0.000 1.149 488 V CA 0.507 62.699 62.300 -0.180 0.000 1.143 488 V CB -0.734 30.863 31.823 -0.377 0.000 0.767 488 V HN 0.173 nan 8.190 nan 0.000 0.476 489 V N 0.051 119.993 119.914 0.047 0.000 2.789 489 V HA 0.835 4.959 4.120 0.006 0.000 0.311 489 V C -0.855 175.324 176.094 0.143 0.000 1.073 489 V CA -0.581 61.794 62.300 0.126 0.000 0.921 489 V CB 1.438 33.357 31.823 0.161 0.000 1.009 489 V HN 0.711 nan 8.190 nan 0.000 0.426 490 Q N 2.458 122.351 119.800 0.154 0.000 2.590 490 Q HA 0.904 5.248 4.340 0.006 0.000 0.295 490 Q C -1.485 174.571 176.000 0.093 0.000 0.973 490 Q CA -0.985 54.889 55.803 0.118 0.000 0.768 490 Q CB 2.763 31.579 28.738 0.130 0.000 1.479 490 Q HN 1.544 nan 8.270 nan 0.000 0.419 491 V N -3.530 116.411 119.914 0.046 0.000 3.159 491 V HA 0.966 5.090 4.120 0.006 0.000 0.308 491 V C -1.022 175.067 176.094 -0.008 0.000 1.190 491 V CA -0.662 61.652 62.300 0.024 0.000 1.037 491 V CB 1.512 33.347 31.823 0.020 0.000 1.060 491 V HN 1.071 nan 8.190 nan 0.000 0.437 492 A N 1.814 124.629 122.820 -0.008 0.000 2.274 492 A HA 0.827 5.151 4.320 0.006 0.000 0.309 492 A C -0.372 177.209 177.584 -0.005 0.000 1.226 492 A CA -0.576 51.454 52.037 -0.012 0.000 0.853 492 A CB 0.924 19.921 19.000 -0.005 0.000 1.146 492 A HN 1.267 nan 8.150 nan 0.000 0.518 493 V N 2.136 122.053 119.914 0.005 0.000 2.612 493 V HA 0.648 4.772 4.120 0.006 0.000 0.301 493 V C 0.111 176.216 176.094 0.018 0.000 1.046 493 V CA -0.379 61.919 62.300 -0.004 0.000 0.946 493 V CB 1.545 33.350 31.823 -0.031 0.000 1.003 493 V HN 1.000 nan 8.190 nan 0.000 0.459 494 E N 2.011 122.207 120.200 -0.007 0.000 2.406 494 E HA 0.378 4.732 4.350 0.006 0.000 0.297 494 E C -1.131 175.460 176.600 -0.016 0.000 0.917 494 E CA -0.631 55.773 56.400 0.006 0.000 0.795 494 E CB 2.125 31.835 29.700 0.017 0.000 1.285 494 E HN 0.648 nan 8.360 nan 0.000 0.400 495 V N 2.193 122.094 119.914 -0.022 0.000 2.740 495 V HA 0.214 4.338 4.120 0.006 0.000 0.303 495 V C 0.923 177.008 176.094 -0.015 0.000 1.054 495 V CA 0.011 62.295 62.300 -0.027 0.000 1.106 495 V CB 1.285 33.089 31.823 -0.031 0.000 0.957 495 V HN 0.781 nan 8.190 nan 0.000 0.486 496 K N 2.357 122.747 120.400 -0.017 0.000 2.228 496 K HA 0.091 4.415 4.320 0.006 0.000 0.202 496 K C 0.155 176.751 176.600 -0.008 0.000 1.051 496 K CA 1.075 57.356 56.287 -0.011 0.000 0.960 496 K CB -0.035 32.458 32.500 -0.012 0.000 0.743 496 K HN 0.847 nan 8.250 nan 0.000 0.458 497 N N 0.089 118.783 118.700 -0.009 0.000 2.476 497 N HA 0.193 4.937 4.740 0.006 0.000 0.257 497 N C -0.182 175.324 175.510 -0.006 0.000 0.970 497 N CA -0.298 52.748 53.050 -0.007 0.000 0.938 497 N CB 1.815 40.297 38.487 -0.007 0.000 1.144 497 N HN -0.030 nan 8.380 nan 0.000 0.500 498 A N 2.249 125.068 122.820 -0.002 0.000 2.225 498 A HA -0.163 4.161 4.320 0.006 0.000 0.215 498 A C 1.119 178.704 177.584 0.001 0.000 1.164 498 A CA 1.155 53.193 52.037 0.002 0.000 0.710 498 A CB -0.416 18.587 19.000 0.005 0.000 0.780 498 A HN 0.701 nan 8.150 nan 0.000 0.473 499 N N 0.097 118.796 118.700 -0.002 0.000 2.415 499 N HA -0.004 4.740 4.740 0.006 0.000 0.176 499 N C 0.457 175.963 175.510 -0.007 0.000 1.042 499 N CA 0.805 53.854 53.050 -0.003 0.000 0.902 499 N CB -0.016 38.469 38.487 -0.002 0.000 0.986 499 N HN 0.304 nan 8.380 nan 0.000 0.447 500 D N 0.595 120.988 120.400 -0.012 0.000 2.349 500 D HA 0.005 4.649 4.640 0.006 0.000 0.224 500 D C 1.725 178.008 176.300 -0.028 0.000 1.029 500 D CA -0.066 53.922 54.000 -0.019 0.000 0.879 500 D CB 0.048 40.834 40.800 -0.022 0.000 0.906 500 D HN 0.249 nan 8.370 nan 0.000 0.528 501 L N 1.797 123.007 121.223 -0.021 0.000 2.010 501 L HA -0.172 4.172 4.340 0.006 0.000 0.219 501 L C -0.724 176.122 176.870 -0.039 0.000 1.077 501 L CA 2.017 56.841 54.840 -0.027 0.000 0.773 501 L CB -1.179 40.883 42.059 0.005 0.000 0.892 501 L HN 0.032 nan 8.230 nan 0.000 0.436 502 P HA -0.212 nan 4.420 nan 0.000 0.216 502 P C 1.079 178.360 177.300 -0.031 0.000 1.150 502 P CA 1.751 64.840 63.100 -0.018 0.000 0.837 502 P CB -0.153 31.543 31.700 -0.007 0.000 0.786 503 K N -0.805 119.575 120.400 -0.033 0.000 2.147 503 K HA -0.113 4.211 4.320 0.006 0.000 0.205 503 K C 2.166 178.735 176.600 -0.051 0.000 1.049 503 K CA 0.849 57.116 56.287 -0.033 0.000 0.936 503 K CB -0.598 31.886 32.500 -0.027 0.000 0.722 503 K HN 0.088 nan 8.250 nan 0.000 0.446 504 L N 0.635 121.808 121.223 -0.084 0.000 2.131 504 L HA -0.083 4.261 4.340 0.006 0.000 0.206 504 L C 1.910 178.674 176.870 -0.176 0.000 1.087 504 L CA 1.274 56.033 54.840 -0.135 0.000 0.767 504 L CB -0.134 41.814 42.059 -0.186 0.000 0.917 504 L HN -0.149 nan 8.230 nan 0.000 0.441 505 V N -0.112 119.704 119.914 -0.164 0.000 2.343 505 V HA -0.242 3.882 4.120 0.006 0.000 0.247 505 V C 2.628 178.688 176.094 -0.057 0.000 1.051 505 V CA 1.884 64.110 62.300 -0.123 0.000 1.036 505 V CB -0.631 31.171 31.823 -0.035 0.000 0.654 505 V HN 0.510 nan 8.190 nan 0.000 0.451 506 E N 0.752 120.928 120.200 -0.039 0.000 2.216 506 E HA -0.030 4.324 4.350 0.006 0.000 0.192 506 E C 2.160 178.752 176.600 -0.014 0.000 0.988 506 E CA 1.149 57.538 56.400 -0.018 0.000 0.834 506 E CB -0.539 29.155 29.700 -0.010 0.000 0.772 506 E HN 0.465 nan 8.360 nan 0.000 0.479 507 G N 0.572 109.359 108.800 -0.022 0.000 2.402 507 G HA2 -0.207 3.757 3.960 0.006 0.000 0.216 507 G HA3 -0.207 3.757 3.960 0.006 0.000 0.216 507 G C 1.548 176.428 174.900 -0.034 0.000 1.162 507 G CA 0.808 45.914 45.100 0.011 0.000 0.777 507 G HN 0.296 nan 8.290 nan 0.000 0.539 508 L N 0.067 121.246 121.223 -0.072 0.000 2.056 508 L HA 0.009 4.353 4.340 0.006 0.000 0.207 508 L C 2.779 179.608 176.870 -0.067 0.000 1.078 508 L CA 1.372 56.161 54.840 -0.083 0.000 0.749 508 L CB -0.314 41.702 42.059 -0.071 0.000 0.901 508 L HN 0.190 nan 8.230 nan 0.000 0.433 509 K N 0.293 120.671 120.400 -0.038 0.000 2.152 509 K HA -0.247 4.077 4.320 0.006 0.000 0.206 509 K C 2.302 178.876 176.600 -0.042 0.000 1.048 509 K CA 1.423 57.696 56.287 -0.024 0.000 0.933 509 K CB 0.044 32.538 32.500 -0.009 0.000 0.721 509 K HN 0.154 nan 8.250 nan 0.000 0.447 510 R N 0.278 120.749 120.500 -0.049 0.000 2.055 510 R HA -0.077 4.266 4.340 0.006 0.000 0.226 510 R C 2.425 178.600 176.300 -0.209 0.000 1.135 510 R CA 0.979 57.058 56.100 -0.035 0.000 0.959 510 R CB -0.336 30.031 30.300 0.112 0.000 0.854 510 R HN 0.183 nan 8.270 nan 0.000 0.431 511 L N 0.715 121.654 121.223 -0.472 0.000 2.013 511 L HA -0.202 4.141 4.340 0.006 0.000 0.212 511 L C 2.269 178.977 176.870 -0.270 0.000 1.073 511 L CA 2.278 56.692 54.840 -0.711 0.000 0.753 511 L CB -0.764 40.998 42.059 -0.496 0.000 0.890 511 L HN 0.183 nan 8.230 nan 0.000 0.432 512 S N -1.411 114.210 115.700 -0.133 0.000 2.442 512 S HA -0.159 4.315 4.470 0.006 0.000 0.236 512 S C 1.979 176.599 174.600 0.034 0.000 1.007 512 S CA 1.075 59.261 58.200 -0.024 0.000 0.965 512 S CB -0.292 62.909 63.200 0.002 0.000 0.773 512 S HN 0.439 nan 8.310 nan 0.000 0.504 513 K N 0.990 121.386 120.400 -0.007 0.000 2.314 513 K HA 0.132 4.456 4.320 0.006 0.000 0.198 513 K C 2.208 178.849 176.600 0.068 0.000 1.045 513 K CA 0.995 57.283 56.287 0.001 0.000 0.988 513 K CB -0.289 32.157 32.500 -0.090 0.000 0.783 513 K HN 0.579 nan 8.250 nan 0.000 0.484 514 S N 0.342 116.087 115.700 0.074 0.000 2.561 514 S HA -0.031 4.443 4.470 0.006 0.000 0.225 514 S C 0.229 174.982 174.600 0.255 0.000 0.977 514 S CA 0.217 58.505 58.200 0.147 0.000 0.926 514 S CB 0.111 63.395 63.200 0.140 0.000 0.769 514 S HN 0.065 nan 8.310 nan 0.000 0.533 515 D N 0.491 121.044 120.400 0.255 0.000 2.891 515 D HA 0.394 5.037 4.640 0.006 0.000 0.224 515 D C -2.688 173.650 176.300 0.064 0.000 1.321 515 D CA -1.954 52.126 54.000 0.133 0.000 0.929 515 D CB 2.128 42.999 40.800 0.119 0.000 1.551 515 D HN -0.208 nan 8.370 nan 0.000 0.574 516 P HA 0.064 nan 4.420 nan 0.000 0.223 516 P C 0.809 178.044 177.300 -0.109 0.000 1.151 516 P CA 0.572 63.508 63.100 -0.272 0.000 0.787 516 P CB 0.334 31.678 31.700 -0.594 0.000 0.788 517 C N -1.354 117.906 119.300 -0.066 0.000 2.855 517 C HA 0.272 4.736 4.460 0.006 0.000 0.279 517 C C 0.771 175.835 174.990 0.122 0.000 1.270 517 C CA -0.245 58.757 59.018 -0.026 0.000 1.702 517 C CB -0.789 26.866 27.740 -0.142 0.000 1.949 517 C HN -0.014 nan 8.230 nan 0.000 0.618 518 V N 1.950 121.954 119.914 0.150 0.000 2.472 518 V HA 0.503 4.627 4.120 0.006 0.000 0.290 518 V C -0.415 175.743 176.094 0.105 0.000 1.037 518 V CA -0.355 62.043 62.300 0.163 0.000 0.908 518 V CB 1.724 33.603 31.823 0.094 0.000 0.985 518 V HN 0.138 nan 8.190 nan 0.000 0.454 519 L N 4.898 126.192 121.223 0.118 0.000 2.362 519 L HA 0.812 5.156 4.340 0.006 0.000 0.275 519 L C 0.044 177.002 176.870 0.148 0.000 0.998 519 L CA 0.181 55.106 54.840 0.142 0.000 0.820 519 L CB 2.221 44.389 42.059 0.181 0.000 1.270 519 L HN 0.855 nan 8.230 nan 0.000 0.415 520 T N 1.922 116.563 114.554 0.146 0.000 2.890 520 T HA 0.701 5.055 4.350 0.006 0.000 0.295 520 T C -0.752 174.052 174.700 0.174 0.000 0.993 520 T CA -0.502 61.652 62.100 0.091 0.000 0.979 520 T CB 0.806 69.696 68.868 0.036 0.000 0.967 520 T HN 0.574 nan 8.240 nan 0.000 0.441 521 Y N 0.602 120.928 120.300 0.043 0.000 2.689 521 Y HA 0.822 5.376 4.550 0.006 0.000 0.333 521 Y C -1.292 174.623 175.900 0.025 0.000 1.190 521 Y CA -2.000 56.118 58.100 0.029 0.000 1.063 521 Y CB 1.636 40.098 38.460 0.003 0.000 1.294 521 Y HN 0.521 nan 8.280 nan 0.000 0.466 522 M N 3.046 122.740 119.600 0.157 0.000 2.227 522 M HA 0.427 4.911 4.480 0.006 0.000 0.335 522 M C -0.374 176.036 176.300 0.184 0.000 1.053 522 M CA -0.928 54.379 55.300 0.013 0.000 0.973 522 M CB 2.087 34.660 32.600 -0.044 0.000 1.623 522 M HN 0.857 nan 8.290 nan 0.000 0.434 523 S N 1.344 117.108 115.700 0.105 0.000 2.589 523 S HA 0.139 4.612 4.470 0.006 0.000 0.265 523 S C 0.853 175.537 174.600 0.139 0.000 1.342 523 S CA -0.432 57.873 58.200 0.175 0.000 1.005 523 S CB 1.073 64.339 63.200 0.109 0.000 0.909 523 S HN 0.808 nan 8.310 nan 0.000 0.555 524 E N 1.066 121.366 120.200 0.165 0.000 2.086 524 E HA -0.220 4.133 4.350 0.006 0.000 0.200 524 E C 2.242 178.851 176.600 0.016 0.000 1.012 524 E CA 1.863 58.321 56.400 0.098 0.000 0.812 524 E CB -0.392 29.337 29.700 0.049 0.000 0.743 524 E HN 0.910 nan 8.360 nan 0.000 0.453 525 S N -1.018 114.692 115.700 0.016 0.000 2.500 525 S HA -0.052 4.421 4.470 0.006 0.000 0.239 525 S C 1.559 176.149 174.600 -0.017 0.000 0.989 525 S CA 0.978 59.178 58.200 -0.000 0.000 0.951 525 S CB 0.116 63.328 63.200 0.020 0.000 0.759 525 S HN 0.478 nan 8.310 nan 0.000 0.523 526 G N 0.258 109.041 108.800 -0.027 0.000 2.159 526 G HA2 -0.213 3.750 3.960 0.006 0.000 0.227 526 G HA3 -0.213 3.750 3.960 0.006 0.000 0.227 526 G C -0.261 174.540 174.900 -0.164 0.000 0.986 526 G CA 0.003 45.054 45.100 -0.083 0.000 0.651 526 G HN 0.605 nan 8.290 nan 0.000 0.523 527 E N 0.797 120.932 120.200 -0.108 0.000 2.398 527 E HA 0.243 4.596 4.350 0.006 0.000 0.263 527 E C -0.120 176.346 176.600 -0.223 0.000 1.046 527 E CA -0.340 55.992 56.400 -0.114 0.000 0.908 527 E CB 0.386 30.067 29.700 -0.031 0.000 0.963 527 E HN 0.418 nan 8.360 nan 0.000 0.431 528 H N 2.782 121.809 119.070 -0.070 0.000 2.723 528 H HA 0.182 4.742 4.556 0.006 0.000 0.294 528 H C -0.197 175.024 175.328 -0.178 0.000 1.079 528 H CA -0.163 55.817 56.048 -0.112 0.000 1.411 528 H CB 0.351 30.069 29.762 -0.073 0.000 1.439 528 H HN 0.207 nan 8.280 nan 0.000 0.474 529 I N 4.445 124.868 120.570 -0.245 0.000 2.404 529 I HA 0.166 4.340 4.170 0.006 0.000 0.293 529 I C 0.262 176.209 176.117 -0.285 0.000 0.992 529 I CA -0.794 60.281 61.300 -0.376 0.000 1.149 529 I CB 1.741 39.231 38.000 -0.849 0.000 1.315 529 I HN 0.160 nan 8.210 nan 0.000 0.446 530 V N 5.169 125.006 119.914 -0.127 0.000 2.409 530 V HA 0.761 4.884 4.120 0.006 0.000 0.291 530 V C 0.235 176.338 176.094 0.015 0.000 1.020 530 V CA -0.600 61.672 62.300 -0.047 0.000 0.848 530 V CB 1.538 33.339 31.823 -0.038 0.000 0.990 530 V HN 0.890 nan 8.190 nan 0.000 0.430 531 A N 3.619 126.487 122.820 0.080 0.000 2.355 531 A HA 0.975 5.299 4.320 0.006 0.000 0.317 531 A C 0.154 177.827 177.584 0.148 0.000 1.094 531 A CA -0.019 52.098 52.037 0.134 0.000 0.764 531 A CB 1.727 20.856 19.000 0.214 0.000 1.230 531 A HN 1.038 nan 8.150 nan 0.000 0.448 532 G N -0.679 108.226 108.800 0.174 0.000 3.140 532 G HA2 0.514 4.478 3.960 0.006 0.000 0.271 532 G HA3 0.514 4.478 3.960 0.006 0.000 0.271 532 G C 0.553 175.623 174.900 0.283 0.000 1.370 532 G CA 0.374 45.676 45.100 0.338 0.000 1.014 532 G HN 1.113 nan 8.290 nan 0.000 0.541 533 T N -3.442 111.304 114.554 0.320 0.000 3.086 533 T HA 0.521 4.875 4.350 0.006 0.000 0.250 533 T C 0.847 175.648 174.700 0.169 0.000 1.074 533 T CA 0.701 62.857 62.100 0.093 0.000 0.988 533 T CB 0.281 69.082 68.868 -0.111 0.000 0.988 533 T HN 1.500 nan 8.240 nan 0.000 0.530 534 G N 0.108 109.028 108.800 0.199 0.000 2.523 534 G HA2 0.391 4.355 3.960 0.006 0.000 0.291 534 G HA3 0.391 4.355 3.960 0.006 0.000 0.291 534 G C -0.023 174.916 174.900 0.066 0.000 1.450 534 G CA -0.116 45.044 45.100 0.101 0.000 0.790 534 G HN 0.014 nan 8.290 nan 0.000 0.496 535 E N -0.519 119.644 120.200 -0.061 0.000 2.049 535 E HA -0.200 4.154 4.350 0.006 0.000 0.198 535 E C 2.264 178.893 176.600 0.049 0.000 1.007 535 E CA 1.744 58.143 56.400 -0.002 0.000 0.809 535 E CB -0.062 29.597 29.700 -0.068 0.000 0.749 535 E HN 0.328 nan 8.360 nan 0.000 0.450 536 L N 1.221 122.439 121.223 -0.008 0.000 2.027 536 L HA -0.189 4.155 4.340 0.006 0.000 0.206 536 L C 2.581 179.480 176.870 0.049 0.000 1.074 536 L CA 2.295 57.117 54.840 -0.029 0.000 0.745 536 L CB -0.819 41.141 42.059 -0.165 0.000 0.898 536 L HN 0.357 nan 8.230 nan 0.000 0.433 537 H N -0.836 118.238 119.070 0.008 0.000 2.353 537 H HA -0.222 4.338 4.556 0.006 0.000 0.298 537 H C 2.111 177.487 175.328 0.079 0.000 1.103 537 H CA 2.300 58.393 56.048 0.075 0.000 1.293 537 H CB 0.008 29.811 29.762 0.069 0.000 1.372 537 H HN 0.382 nan 8.280 nan 0.000 0.501 538 L N 1.400 122.575 121.223 -0.080 0.000 2.141 538 L HA -0.074 4.269 4.340 0.006 0.000 0.209 538 L C 2.492 179.331 176.870 -0.052 0.000 1.094 538 L CA 1.845 56.619 54.840 -0.111 0.000 0.763 538 L CB -0.588 41.495 42.059 0.040 0.000 0.908 538 L HN 0.222 nan 8.230 nan 0.000 0.437 539 E N 0.408 120.611 120.200 0.005 0.000 2.031 539 E HA -0.233 4.121 4.350 0.006 0.000 0.193 539 E C 2.158 178.774 176.600 0.026 0.000 0.994 539 E CA 2.199 58.615 56.400 0.026 0.000 0.800 539 E CB -0.486 29.236 29.700 0.038 0.000 0.752 539 E HN 0.656 nan 8.360 nan 0.000 0.447 540 I N -1.491 119.104 120.570 0.042 0.000 2.493 540 I HA -0.186 3.988 4.170 0.006 0.000 0.254 540 I C 1.932 178.070 176.117 0.035 0.000 1.160 540 I CA 0.971 62.318 61.300 0.079 0.000 1.445 540 I CB -0.522 37.581 38.000 0.172 0.000 1.086 540 I HN 0.099 nan 8.210 nan 0.000 0.433 541 C N 1.409 120.681 119.300 -0.046 0.000 2.440 541 C HA 0.013 4.477 4.460 0.006 0.000 0.278 541 C C 2.761 177.740 174.990 -0.018 0.000 1.295 541 C CA 0.566 59.546 59.018 -0.063 0.000 1.738 541 C CB -1.045 26.585 27.740 -0.183 0.000 1.987 541 C HN 0.582 nan 8.230 nan 0.000 0.492 542 L N 0.286 121.495 121.223 -0.023 0.000 2.217 542 L HA -0.159 4.185 4.340 0.006 0.000 0.211 542 L C 2.691 179.549 176.870 -0.020 0.000 1.107 542 L CA 1.270 56.097 54.840 -0.022 0.000 0.783 542 L CB -0.636 41.411 42.059 -0.020 0.000 0.919 542 L HN 0.479 nan 8.230 nan 0.000 0.442 543 Q N -0.242 119.574 119.800 0.026 0.000 2.083 543 Q HA -0.168 4.176 4.340 0.006 0.000 0.198 543 Q C 1.636 177.710 176.000 0.122 0.000 0.969 543 Q CA 1.298 57.150 55.803 0.082 0.000 0.838 543 Q CB -0.015 28.811 28.738 0.147 0.000 0.900 543 Q HN 0.411 nan 8.270 nan 0.000 0.436 544 D N 0.722 121.192 120.400 0.118 0.000 2.144 544 D HA -0.135 4.508 4.640 0.006 0.000 0.199 544 D C 1.670 178.077 176.300 0.178 0.000 0.984 544 D CA 0.649 54.738 54.000 0.148 0.000 0.834 544 D CB -0.043 40.886 40.800 0.216 0.000 0.955 544 D HN 0.059 nan 8.370 nan 0.000 0.465 545 L N 0.757 122.070 121.223 0.150 0.000 2.056 545 L HA -0.047 4.297 4.340 0.006 0.000 0.207 545 L C 1.767 178.623 176.870 -0.023 0.000 1.078 545 L CA 1.671 56.578 54.840 0.112 0.000 0.749 545 L CB -0.263 41.806 42.059 0.015 0.000 0.901 545 L HN -0.046 nan 8.230 nan 0.000 0.433 546 E N -2.266 117.838 120.200 -0.161 0.000 2.502 546 E HA -0.104 4.250 4.350 0.006 0.000 0.194 546 E C 0.898 177.238 176.600 -0.433 0.000 1.062 546 E CA 0.399 56.607 56.400 -0.320 0.000 0.867 546 E CB 0.076 29.517 29.700 -0.432 0.000 0.888 546 E HN 0.730 nan 8.360 nan 0.000 0.510 547 H N -1.752 117.311 119.070 -0.012 0.000 3.457 547 H HA 0.166 4.726 4.556 0.006 0.000 0.255 547 H C 0.467 175.755 175.328 -0.067 0.000 1.082 547 H CA -0.003 56.025 56.048 -0.033 0.000 1.189 547 H CB 0.787 30.532 29.762 -0.030 0.000 1.511 547 H HN 0.015 nan 8.280 nan 0.000 0.527 548 D N -1.012 119.379 120.400 -0.015 0.000 3.106 548 D HA 0.017 4.661 4.640 0.006 0.000 0.216 548 D C 1.708 177.912 176.300 -0.160 0.000 1.540 548 D CA 0.125 54.035 54.000 -0.151 0.000 1.389 548 D CB -0.292 40.307 40.800 -0.335 0.000 1.080 548 D HN 0.224 nan 8.370 nan 0.000 0.270 549 H N 0.953 120.012 119.070 -0.018 0.000 2.431 549 H HA -0.034 4.525 4.556 0.006 0.000 0.297 549 H C 1.395 176.699 175.328 -0.040 0.000 1.115 549 H CA 1.804 57.834 56.048 -0.030 0.000 1.277 549 H CB 0.325 30.067 29.762 -0.033 0.000 1.372 549 H HN 0.177 nan 8.280 nan 0.000 0.516 550 A N -1.026 121.827 122.820 0.056 0.000 1.964 550 A HA 0.423 4.747 4.320 0.006 0.000 0.198 550 A C 2.121 179.694 177.584 -0.019 0.000 1.599 550 A CA 0.995 53.033 52.037 0.001 0.000 0.968 550 A CB -0.031 18.955 19.000 -0.024 0.000 1.029 550 A HN 0.397 nan 8.150 nan 0.000 0.508 551 G N -0.921 107.862 108.800 -0.028 0.000 2.168 551 G HA2 -0.189 3.774 3.960 0.006 0.000 0.263 551 G HA3 -0.189 3.774 3.960 0.006 0.000 0.263 551 G C 0.217 175.101 174.900 -0.026 0.000 0.977 551 G CA 0.500 45.589 45.100 -0.018 0.000 0.659 551 G HN 1.036 nan 8.290 nan 0.000 0.533 552 V N 1.303 121.190 119.914 -0.044 0.000 2.532 552 V HA 0.489 4.613 4.120 0.006 0.000 0.295 552 V C -1.751 174.309 176.094 -0.056 0.000 1.041 552 V CA -1.814 60.461 62.300 -0.040 0.000 0.926 552 V CB 1.806 33.605 31.823 -0.039 0.000 0.992 552 V HN 0.046 nan 8.190 nan 0.000 0.457 553 P HA 0.135 nan 4.420 nan 0.000 0.260 553 P C -0.867 176.405 177.300 -0.046 0.000 1.185 553 P CA 0.532 63.608 63.100 -0.040 0.000 0.763 553 P CB 0.170 31.858 31.700 -0.020 0.000 0.776 554 L N 3.273 124.461 121.223 -0.058 0.000 2.342 554 L HA 0.484 4.828 4.340 0.006 0.000 0.271 554 L C 0.672 177.520 176.870 -0.037 0.000 1.008 554 L CA -0.910 53.899 54.840 -0.052 0.000 0.818 554 L CB 2.038 44.056 42.059 -0.068 0.000 1.296 554 L HN 0.187 nan 8.230 nan 0.000 0.427 555 K N 3.611 123.995 120.400 -0.027 0.000 2.253 555 K HA 0.557 4.881 4.320 0.006 0.000 0.277 555 K C -1.164 175.424 176.600 -0.019 0.000 1.053 555 K CA -0.360 55.915 56.287 -0.020 0.000 0.892 555 K CB 0.705 33.197 32.500 -0.013 0.000 1.102 555 K HN 0.491 nan 8.250 nan 0.000 0.469 556 I N 3.625 124.184 120.570 -0.020 0.000 2.406 556 I HA 0.119 4.293 4.170 0.006 0.000 0.290 556 I C 0.419 176.526 176.117 -0.016 0.000 0.999 556 I CA -0.821 60.468 61.300 -0.018 0.000 1.124 556 I CB 1.929 39.918 38.000 -0.019 0.000 1.289 556 I HN 0.623 nan 8.210 nan 0.000 0.441 557 S N 5.918 121.608 115.700 -0.016 0.000 2.593 557 S HA 0.438 4.912 4.470 0.006 0.000 0.269 557 S C -2.443 172.144 174.600 -0.022 0.000 1.334 557 S CA -1.122 57.065 58.200 -0.022 0.000 1.015 557 S CB 0.362 63.546 63.200 -0.027 0.000 0.912 557 S HN 0.318 nan 8.310 nan 0.000 0.541 558 P HA 0.237 nan 4.420 nan 0.000 0.268 558 P C -2.498 174.775 177.300 -0.046 0.000 1.208 558 P CA -0.915 62.153 63.100 -0.053 0.000 0.777 558 P CB -0.760 30.893 31.700 -0.077 0.000 0.875 559 P HA 0.051 nan 4.420 nan 0.000 0.265 559 P C -0.757 176.540 177.300 -0.004 0.000 1.193 559 P CA 0.506 63.615 63.100 0.014 0.000 0.765 559 P CB 0.356 32.095 31.700 0.065 0.000 0.823 560 V N 4.530 124.518 119.914 0.123 0.000 2.656 560 V HA 0.236 4.360 4.120 0.006 0.000 0.307 560 V C 0.111 176.351 176.094 0.243 0.000 1.051 560 V CA -0.822 61.575 62.300 0.161 0.000 0.893 560 V CB 2.494 34.401 31.823 0.139 0.000 0.999 560 V HN 0.209 nan 8.190 nan 0.000 0.426 561 V N 3.577 123.657 119.914 0.276 0.000 2.649 561 V HA 0.554 4.678 4.120 0.006 0.000 0.292 561 V C 0.683 176.819 176.094 0.069 0.000 1.055 561 V CA -0.288 62.096 62.300 0.140 0.000 1.023 561 V CB 1.562 33.400 31.823 0.024 0.000 0.992 561 V HN 1.005 nan 8.190 nan 0.000 0.480 562 A N 4.925 127.736 122.820 -0.015 0.000 2.309 562 A HA 0.667 4.991 4.320 0.006 0.000 0.290 562 A C -0.837 176.785 177.584 0.063 0.000 1.206 562 A CA -0.193 51.894 52.037 0.083 0.000 0.850 562 A CB -0.071 19.000 19.000 0.119 0.000 1.118 562 A HN 0.723 nan 8.150 nan 0.000 0.523 563 Y N 1.280 121.715 120.300 0.225 0.000 2.618 563 Y HA 0.710 5.264 4.550 0.006 0.000 0.326 563 Y C 0.773 176.678 175.900 0.008 0.000 1.168 563 Y CA -0.715 57.554 58.100 0.283 0.000 1.269 563 Y CB 1.139 39.827 38.460 0.380 0.000 1.388 563 Y HN 0.509 nan 8.280 nan 0.000 0.528 564 R N 0.746 121.335 120.500 0.149 0.000 2.686 564 R HA 0.347 4.691 4.340 0.006 0.000 0.283 564 R C -1.417 174.931 176.300 0.081 0.000 0.978 564 R CA -0.924 55.090 56.100 -0.143 0.000 0.897 564 R CB 1.852 31.814 30.300 -0.563 0.000 1.192 564 R HN 0.757 nan 8.270 nan 0.000 0.457 565 E N 0.816 121.048 120.200 0.053 0.000 2.175 565 E HA 0.404 4.757 4.350 0.006 0.000 0.278 565 E C -0.345 176.443 176.600 0.314 0.000 0.969 565 E CA -0.382 56.159 56.400 0.235 0.000 0.796 565 E CB 2.212 31.991 29.700 0.131 0.000 1.104 565 E HN 0.360 nan 8.360 nan 0.000 0.395 566 T N 0.708 115.475 114.554 0.354 0.000 2.787 566 T HA 0.530 4.884 4.350 0.006 0.000 0.297 566 T C -1.311 173.327 174.700 -0.104 0.000 1.221 566 T CA -0.673 61.537 62.100 0.183 0.000 1.006 566 T CB 1.496 70.412 68.868 0.080 0.000 1.328 566 T HN 0.299 nan 8.240 nan 0.000 0.509 567 V N 0.340 120.128 119.914 -0.210 0.000 2.919 567 V HA 0.759 4.883 4.120 0.006 0.000 0.316 567 V C 0.209 176.220 176.094 -0.139 0.000 1.077 567 V CA -0.477 61.634 62.300 -0.316 0.000 0.977 567 V CB 1.958 33.541 31.823 -0.400 0.000 1.039 567 V HN 0.932 nan 8.190 nan 0.000 0.441 568 E N 0.955 121.080 120.200 -0.125 0.000 2.514 568 E HA 0.246 4.599 4.350 0.006 0.000 0.215 568 E C 0.408 176.968 176.600 -0.066 0.000 0.946 568 E CA 0.783 57.143 56.400 -0.068 0.000 1.038 568 E CB 1.268 30.939 29.700 -0.047 0.000 1.069 568 E HN 0.969 nan 8.360 nan 0.000 0.503 569 S N -0.566 115.080 115.700 -0.090 0.000 2.688 569 S HA 0.355 4.829 4.470 0.006 0.000 0.275 569 S C -0.557 173.987 174.600 -0.094 0.000 1.175 569 S CA -0.962 57.190 58.200 -0.079 0.000 0.818 569 S CB 2.377 65.534 63.200 -0.071 0.000 1.157 569 S HN 0.009 nan 8.310 nan 0.000 0.482 570 E N 0.706 120.855 120.200 -0.085 0.000 2.390 570 E HA 0.379 4.732 4.350 0.006 0.000 0.261 570 E C -0.502 176.039 176.600 -0.098 0.000 1.076 570 E CA -0.400 55.947 56.400 -0.087 0.000 0.905 570 E CB 0.682 30.333 29.700 -0.081 0.000 0.984 570 E HN 0.606 nan 8.360 nan 0.000 0.427 571 S N 1.917 117.559 115.700 -0.097 0.000 2.563 571 S HA -0.066 4.408 4.470 0.006 0.000 0.294 571 S C 1.162 175.680 174.600 -0.136 0.000 1.279 571 S CA -0.151 57.978 58.200 -0.118 0.000 1.069 571 S CB 0.907 64.051 63.200 -0.093 0.000 0.828 571 S HN 0.546 nan 8.310 nan 0.000 0.497 572 S N 2.207 117.798 115.700 -0.181 0.000 2.392 572 S HA -0.161 4.313 4.470 0.006 0.000 0.232 572 S C 0.939 175.435 174.600 -0.174 0.000 1.041 572 S CA 1.431 59.523 58.200 -0.181 0.000 1.026 572 S CB -0.223 62.836 63.200 -0.234 0.000 0.845 572 S HN 0.900 nan 8.310 nan 0.000 0.465 573 Q N -1.194 118.479 119.800 -0.211 0.000 2.590 573 Q HA 0.374 4.718 4.340 0.006 0.000 0.295 573 Q C -1.490 174.459 176.000 -0.085 0.000 0.973 573 Q CA -0.871 54.845 55.803 -0.146 0.000 0.768 573 Q CB 0.728 29.358 28.738 -0.179 0.000 1.479 573 Q HN -0.092 nan 8.270 nan 0.000 0.419 574 T N 1.490 116.048 114.554 0.006 0.000 2.902 574 T HA 0.359 4.712 4.350 0.006 0.000 0.301 574 T C -0.096 174.701 174.700 0.162 0.000 1.012 574 T CA 0.505 62.652 62.100 0.079 0.000 1.151 574 T CB 0.313 69.260 68.868 0.133 0.000 0.946 574 T HN 0.557 nan 8.240 nan 0.000 0.542 575 A N 3.779 126.675 122.820 0.126 0.000 2.320 575 A HA 0.620 4.944 4.320 0.006 0.000 0.287 575 A C -0.355 177.210 177.584 -0.032 0.000 1.181 575 A CA -0.598 51.538 52.037 0.164 0.000 0.831 575 A CB 0.108 19.188 19.000 0.134 0.000 1.102 575 A HN 0.719 nan 8.150 nan 0.000 0.513 576 L N 2.549 123.559 121.223 -0.354 0.000 2.386 576 L HA 0.821 5.165 4.340 0.006 0.000 0.271 576 L C -0.317 176.147 176.870 -0.677 0.000 0.993 576 L CA 0.115 54.559 54.840 -0.660 0.000 0.819 576 L CB 2.140 43.749 42.059 -0.750 0.000 1.294 576 L HN 0.622 nan 8.230 nan 0.000 0.414 577 S N 3.768 119.194 115.700 -0.457 0.000 2.546 577 S HA 0.659 5.133 4.470 0.006 0.000 0.274 577 S C -1.416 173.048 174.600 -0.227 0.000 1.121 577 S CA -0.740 57.294 58.200 -0.276 0.000 0.887 577 S CB 1.304 64.426 63.200 -0.129 0.000 1.094 577 S HN 0.827 nan 8.310 nan 0.000 0.474 578 K N 1.425 121.738 120.400 -0.146 0.000 2.267 578 K HA 0.626 4.950 4.320 0.006 0.000 0.246 578 K C -0.205 176.362 176.600 -0.055 0.000 0.954 578 K CA -0.649 55.578 56.287 -0.100 0.000 0.824 578 K CB 1.532 33.979 32.500 -0.089 0.000 1.167 578 K HN 0.769 nan 8.250 nan 0.000 0.431 579 S N 2.282 117.962 115.700 -0.033 0.000 2.603 579 S HA 0.188 4.662 4.470 0.006 0.000 0.268 579 S C -1.951 172.629 174.600 -0.034 0.000 1.317 579 S CA -1.049 57.139 58.200 -0.019 0.000 1.012 579 S CB 0.930 64.134 63.200 0.007 0.000 0.926 579 S HN 0.485 nan 8.310 nan 0.000 0.539 580 P HA -0.172 nan 4.420 nan 0.000 0.216 580 P C 0.958 178.221 177.300 -0.061 0.000 1.154 580 P CA 1.590 64.667 63.100 -0.037 0.000 0.865 580 P CB -0.270 31.414 31.700 -0.027 0.000 0.789 581 N N -1.096 117.565 118.700 -0.066 0.000 2.461 581 N HA -0.067 4.676 4.740 0.006 0.000 0.188 581 N C 0.350 175.671 175.510 -0.314 0.000 1.134 581 N CA 0.439 53.411 53.050 -0.129 0.000 0.878 581 N CB -0.638 37.830 38.487 -0.032 0.000 0.972 581 N HN -0.023 nan 8.380 nan 0.000 0.456 582 K N -1.191 119.092 120.400 -0.194 0.000 3.446 582 K HA -0.235 4.089 4.320 0.006 0.000 0.312 582 K C -0.276 176.224 176.600 -0.167 0.000 1.329 582 K CA 1.238 57.409 56.287 -0.193 0.000 0.935 582 K CB -2.572 29.794 32.500 -0.224 0.000 1.281 582 K HN 0.661 nan 8.250 nan 0.000 0.457 583 H N -0.315 118.790 119.070 0.058 0.000 2.586 583 H HA 0.208 4.768 4.556 0.006 0.000 0.273 583 H C 0.356 175.744 175.328 0.099 0.000 0.997 583 H CA -0.266 55.849 56.048 0.111 0.000 1.177 583 H CB 0.502 30.386 29.762 0.204 0.000 1.471 583 H HN 0.162 nan 8.280 nan 0.000 0.538 584 N N 0.909 119.699 118.700 0.150 0.000 2.229 584 N HA 0.420 5.164 4.740 0.006 0.000 0.298 584 N C -0.883 174.654 175.510 0.046 0.000 1.114 584 N CA -0.610 52.505 53.050 0.109 0.000 0.776 584 N CB 2.868 41.413 38.487 0.097 0.000 1.501 584 N HN 0.118 nan 8.380 nan 0.000 0.474 585 R N 0.823 121.353 120.500 0.049 0.000 2.651 585 R HA 0.594 4.938 4.340 0.006 0.000 0.278 585 R C -0.922 175.366 176.300 -0.020 0.000 1.010 585 R CA -0.593 55.482 56.100 -0.041 0.000 0.896 585 R CB 2.240 32.516 30.300 -0.039 0.000 1.211 585 R HN 0.493 nan 8.270 nan 0.000 0.456 586 I N 3.090 123.567 120.570 -0.155 0.000 2.447 586 I HA 0.337 4.511 4.170 0.006 0.000 0.287 586 I C -1.082 174.917 176.117 -0.196 0.000 1.023 586 I CA -0.771 60.490 61.300 -0.065 0.000 1.083 586 I CB 1.489 39.465 38.000 -0.040 0.000 1.245 586 I HN 0.486 nan 8.210 nan 0.000 0.434 587 Y N 7.180 127.450 120.300 -0.050 0.000 2.331 587 Y HA 0.624 5.178 4.550 0.006 0.000 0.338 587 Y C -0.109 175.757 175.900 -0.057 0.000 0.976 587 Y CA -0.993 57.078 58.100 -0.049 0.000 1.137 587 Y CB 1.429 39.865 38.460 -0.039 0.000 1.172 587 Y HN 0.406 nan 8.280 nan 0.000 0.478 588 L N 0.415 121.681 121.223 0.070 0.000 2.502 588 L HA 0.823 5.167 4.340 0.006 0.000 0.253 588 L C -1.470 175.413 176.870 0.021 0.000 1.070 588 L CA -1.453 53.398 54.840 0.019 0.000 0.871 588 L CB 2.291 44.342 42.059 -0.013 0.000 1.487 588 L HN 0.442 nan 8.230 nan 0.000 0.408 589 K N 0.203 120.600 120.400 -0.006 0.000 2.525 589 K HA 0.876 5.200 4.320 0.006 0.000 0.254 589 K C -1.604 174.987 176.600 -0.014 0.000 0.934 589 K CA -0.390 55.891 56.287 -0.011 0.000 0.802 589 K CB 2.212 34.693 32.500 -0.032 0.000 1.295 589 K HN 1.122 nan 8.250 nan 0.000 0.433 590 A N 2.965 125.783 122.820 -0.003 0.000 2.312 590 A HA 0.620 4.944 4.320 0.006 0.000 0.328 590 A C -1.085 176.474 177.584 -0.040 0.000 1.158 590 A CA -0.403 51.637 52.037 0.006 0.000 0.821 590 A CB 0.656 19.683 19.000 0.045 0.000 1.170 590 A HN 0.830 nan 8.150 nan 0.000 0.490 591 E N 1.538 121.717 120.200 -0.035 0.000 2.372 591 E HA 0.571 4.925 4.350 0.006 0.000 0.279 591 E C -3.157 173.425 176.600 -0.030 0.000 0.946 591 E CA -2.192 54.174 56.400 -0.056 0.000 0.769 591 E CB 2.105 31.758 29.700 -0.078 0.000 1.230 591 E HN 0.347 nan 8.360 nan 0.000 0.442 592 P HA 0.119 nan 4.420 nan 0.000 0.269 592 P C -0.368 176.951 177.300 0.032 0.000 1.209 592 P CA 0.041 63.138 63.100 -0.005 0.000 0.776 592 P CB 0.779 32.469 31.700 -0.017 0.000 0.876 593 I N 2.200 122.814 120.570 0.073 0.000 2.392 593 I HA 0.198 4.371 4.170 0.006 0.000 0.295 593 I C 0.615 176.798 176.117 0.111 0.000 0.985 593 I CA -0.847 60.529 61.300 0.127 0.000 1.221 593 I CB 0.888 38.982 38.000 0.157 0.000 1.366 593 I HN 0.149 nan 8.210 nan 0.000 0.467 594 D N 5.679 126.162 120.400 0.139 0.000 2.488 594 D HA -0.042 4.602 4.640 0.006 0.000 0.238 594 D C 1.115 177.482 176.300 0.111 0.000 1.138 594 D CA 0.113 54.187 54.000 0.122 0.000 0.873 594 D CB 1.075 41.969 40.800 0.158 0.000 1.183 594 D HN 0.482 nan 8.370 nan 0.000 0.458 595 E N 1.914 122.172 120.200 0.097 0.000 2.097 595 E HA -0.227 4.127 4.350 0.006 0.000 0.196 595 E C 1.540 178.203 176.600 0.105 0.000 1.000 595 E CA 1.087 57.545 56.400 0.097 0.000 0.804 595 E CB 0.145 29.897 29.700 0.086 0.000 0.740 595 E HN 0.551 nan 8.360 nan 0.000 0.454 596 E N -0.110 120.166 120.200 0.126 0.000 2.070 596 E HA -0.188 4.166 4.350 0.006 0.000 0.197 596 E C 2.183 178.839 176.600 0.095 0.000 1.004 596 E CA 1.675 58.178 56.400 0.171 0.000 0.805 596 E CB 0.038 29.899 29.700 0.270 0.000 0.744 596 E HN 0.096 nan 8.360 nan 0.000 0.451 597 V N 0.579 120.512 119.914 0.031 0.000 2.358 597 V HA -0.221 3.903 4.120 0.006 0.000 0.246 597 V C 2.305 178.345 176.094 -0.089 0.000 1.047 597 V CA 1.764 63.962 62.300 -0.170 0.000 1.035 597 V CB -0.442 31.351 31.823 -0.050 0.000 0.658 597 V HN 0.171 nan 8.190 nan 0.000 0.452 598 S N 0.260 115.972 115.700 0.019 0.000 2.382 598 S HA -0.127 4.346 4.470 0.006 0.000 0.228 598 S C 1.872 176.510 174.600 0.065 0.000 1.027 598 S CA 1.285 59.516 58.200 0.052 0.000 0.991 598 S CB -0.331 62.916 63.200 0.077 0.000 0.823 598 S HN 0.330 nan 8.310 nan 0.000 0.469 599 L N 1.512 122.779 121.223 0.073 0.000 2.056 599 L HA 0.060 4.404 4.340 0.006 0.000 0.207 599 L C 2.603 179.508 176.870 0.059 0.000 1.078 599 L CA 1.529 56.425 54.840 0.094 0.000 0.749 599 L CB -1.465 40.660 42.059 0.109 0.000 0.901 599 L HN 0.291 nan 8.230 nan 0.000 0.433 600 A N -0.601 122.215 122.820 -0.007 0.000 1.933 600 A HA -0.156 4.168 4.320 0.006 0.000 0.218 600 A C 2.327 179.886 177.584 -0.043 0.000 1.175 600 A CA 1.584 53.588 52.037 -0.055 0.000 0.628 600 A CB -0.625 18.193 19.000 -0.303 0.000 0.814 600 A HN 0.382 nan 8.150 nan 0.000 0.444 601 I N -0.638 119.915 120.570 -0.029 0.000 2.286 601 I HA -0.213 3.960 4.170 0.006 0.000 0.245 601 I C 2.316 178.453 176.117 0.033 0.000 1.104 601 I CA 1.430 62.745 61.300 0.026 0.000 1.397 601 I CB -0.425 37.643 38.000 0.112 0.000 1.072 601 I HN 0.377 nan 8.210 nan 0.000 0.417 602 E N 0.749 120.986 120.200 0.061 0.000 2.268 602 E HA -0.135 4.218 4.350 0.006 0.000 0.195 602 E C 0.917 177.564 176.600 0.078 0.000 0.995 602 E CA 0.663 57.112 56.400 0.081 0.000 0.836 602 E CB -0.017 29.761 29.700 0.130 0.000 0.763 602 E HN 0.431 nan 8.360 nan 0.000 0.491 603 N N -0.730 118.011 118.700 0.067 0.000 2.214 603 N HA 0.080 4.824 4.740 0.006 0.000 0.214 603 N C 0.752 176.295 175.510 0.055 0.000 1.132 603 N CA 0.724 53.818 53.050 0.074 0.000 0.856 603 N CB 1.401 39.937 38.487 0.080 0.000 1.020 603 N HN 0.236 nan 8.380 nan 0.000 0.509 604 G N 0.999 109.816 108.800 0.028 0.000 2.205 604 G HA2 -0.322 3.642 3.960 0.006 0.000 0.261 604 G HA3 -0.322 3.642 3.960 0.006 0.000 0.261 604 G C 1.095 175.990 174.900 -0.009 0.000 0.980 604 G CA 0.483 45.588 45.100 0.008 0.000 0.632 604 G HN 0.370 nan 8.290 nan 0.000 0.533 605 I N 0.790 121.361 120.570 0.003 0.000 2.099 605 I HA -0.054 4.120 4.170 0.006 0.000 0.239 605 I C 1.234 177.341 176.117 -0.016 0.000 1.066 605 I CA 1.033 62.339 61.300 0.009 0.000 1.324 605 I CB -0.263 37.769 38.000 0.054 0.000 1.037 605 I HN 0.080 nan 8.210 nan 0.000 0.401 606 I N 2.723 123.262 120.570 -0.053 0.000 2.308 606 I HA 0.102 4.275 4.170 0.006 0.000 0.293 606 I C -0.159 175.922 176.117 -0.061 0.000 1.078 606 I CA 0.324 61.594 61.300 -0.050 0.000 1.292 606 I CB -0.407 37.538 38.000 -0.092 0.000 1.423 606 I HN 0.246 nan 8.210 nan 0.000 0.493 607 N N 8.839 127.487 118.700 -0.087 0.000 2.372 607 N HA 0.360 5.104 4.740 0.006 0.000 0.285 607 N C -2.014 173.299 175.510 -0.329 0.000 1.008 607 N CA -1.626 51.297 53.050 -0.212 0.000 0.880 607 N CB 3.035 41.457 38.487 -0.107 0.000 1.239 607 N HN 0.131 nan 8.380 nan 0.000 0.484 608 P HA 0.015 nan 4.420 nan 0.000 0.218 608 P C 0.556 177.751 177.300 -0.175 0.000 1.149 608 P CA 1.217 63.908 63.100 -0.683 0.000 0.817 608 P CB 0.434 31.640 31.700 -0.823 0.000 0.785 609 R N -1.164 119.250 120.500 -0.144 0.000 2.297 609 R HA 0.113 4.457 4.340 0.006 0.000 0.197 609 R C 0.543 176.840 176.300 -0.005 0.000 0.943 609 R CA 0.035 56.108 56.100 -0.046 0.000 1.038 609 R CB -0.442 29.836 30.300 -0.036 0.000 0.957 609 R HN 0.257 nan 8.270 nan 0.000 0.484 610 D N 0.723 121.117 120.400 -0.010 0.000 2.358 610 D HA -0.028 4.616 4.640 0.006 0.000 0.244 610 D C -0.527 175.808 176.300 0.058 0.000 1.163 610 D CA -0.169 53.839 54.000 0.015 0.000 0.945 610 D CB 0.708 41.510 40.800 0.003 0.000 1.152 610 D HN -0.106 nan 8.370 nan 0.000 0.451 611 D N 0.177 120.599 120.400 0.036 0.000 2.458 611 D HA -0.026 4.618 4.640 0.006 0.000 0.243 611 D C 0.854 177.174 176.300 0.033 0.000 1.146 611 D CA 0.020 54.041 54.000 0.036 0.000 0.877 611 D CB 0.293 41.064 40.800 -0.049 0.000 1.176 611 D HN 0.375 nan 8.370 nan 0.000 0.461 612 F N 2.795 122.768 119.950 0.039 0.000 2.269 612 F HA -0.000 4.531 4.527 0.006 0.000 0.301 612 F C 1.582 177.408 175.800 0.044 0.000 1.082 612 F CA 0.711 58.743 58.000 0.052 0.000 1.360 612 F CB -0.187 38.851 39.000 0.063 0.000 1.041 612 F HN 0.214 nan 8.300 nan 0.000 0.512 613 K N 0.783 120.694 120.400 -0.815 0.000 2.137 613 K HA 0.171 4.494 4.320 0.006 0.000 0.202 613 K C 2.415 178.878 176.600 -0.228 0.000 1.052 613 K CA 0.827 56.770 56.287 -0.573 0.000 0.961 613 K CB -0.296 31.784 32.500 -0.699 0.000 0.741 613 K HN 0.365 nan 8.250 nan 0.000 0.452 614 A N 1.654 124.367 122.820 -0.179 0.000 1.929 614 A HA -0.138 4.186 4.320 0.006 0.000 0.216 614 A C 2.083 179.643 177.584 -0.040 0.000 1.176 614 A CA 1.114 53.099 52.037 -0.087 0.000 0.628 614 A CB -0.340 18.618 19.000 -0.069 0.000 0.816 614 A HN 0.180 nan 8.150 nan 0.000 0.444 615 R N -0.335 120.151 120.500 -0.024 0.000 2.092 615 R HA -0.035 4.309 4.340 0.006 0.000 0.231 615 R C 2.211 178.516 176.300 0.009 0.000 1.119 615 R CA 1.292 57.398 56.100 0.010 0.000 0.970 615 R CB -0.343 29.989 30.300 0.053 0.000 0.864 615 R HN 0.413 nan 8.270 nan 0.000 0.440 616 A N 0.848 123.680 122.820 0.020 0.000 1.930 616 A HA -0.161 4.163 4.320 0.006 0.000 0.217 616 A C 2.125 179.738 177.584 0.049 0.000 1.175 616 A CA 1.337 53.402 52.037 0.046 0.000 0.627 616 A CB -0.433 18.619 19.000 0.088 0.000 0.815 616 A HN 0.273 nan 8.150 nan 0.000 0.443 617 R N 0.246 120.760 120.500 0.023 0.000 2.091 617 R HA -0.073 4.271 4.340 0.006 0.000 0.238 617 R C 1.781 178.112 176.300 0.052 0.000 1.136 617 R CA 1.874 57.991 56.100 0.029 0.000 0.959 617 R CB -0.637 29.664 30.300 0.001 0.000 0.856 617 R HN 0.598 nan 8.270 nan 0.000 0.437 618 I N -0.260 120.343 120.570 0.055 0.000 2.202 618 I HA -0.300 3.874 4.170 0.006 0.000 0.242 618 I C 2.223 178.458 176.117 0.196 0.000 1.091 618 I CA 1.520 62.883 61.300 0.105 0.000 1.368 618 I CB -0.248 37.816 38.000 0.105 0.000 1.058 618 I HN 0.222 nan 8.210 nan 0.000 0.410 619 M N 0.362 120.033 119.600 0.118 0.000 2.159 619 M HA -0.175 4.309 4.480 0.006 0.000 0.263 619 M C 2.510 178.960 176.300 0.251 0.000 1.063 619 M CA 1.912 57.268 55.300 0.093 0.000 1.110 619 M CB -0.555 31.877 32.600 -0.280 0.000 1.374 619 M HN 0.309 nan 8.290 nan 0.000 0.411 620 A N 0.579 123.517 122.820 0.198 0.000 1.854 620 A HA -0.145 4.179 4.320 0.006 0.000 0.214 620 A C 1.772 179.439 177.584 0.138 0.000 1.192 620 A CA 1.830 53.984 52.037 0.196 0.000 0.611 620 A CB -0.558 18.525 19.000 0.139 0.000 0.832 620 A HN 0.359 nan 8.150 nan 0.000 0.442 621 D N -0.104 120.350 120.400 0.089 0.000 2.137 621 D HA -0.050 4.594 4.640 0.006 0.000 0.202 621 D C 0.850 177.141 176.300 -0.016 0.000 0.970 621 D CA 1.189 55.210 54.000 0.035 0.000 0.837 621 D CB -0.280 40.529 40.800 0.015 0.000 0.981 621 D HN 0.364 nan 8.370 nan 0.000 0.475 622 D N -1.254 119.117 120.400 -0.049 0.000 2.366 622 D HA 0.017 4.661 4.640 0.006 0.000 0.205 622 D C 0.615 176.579 176.300 -0.560 0.000 1.022 622 D CA 0.362 54.167 54.000 -0.325 0.000 0.868 622 D CB 0.301 40.833 40.800 -0.447 0.000 0.953 622 D HN 0.315 nan 8.370 nan 0.000 0.514 623 Y N -0.887 119.463 120.300 0.083 0.000 2.610 623 Y HA 0.326 4.880 4.550 0.006 0.000 0.254 623 Y C 1.418 177.450 175.900 0.220 0.000 1.110 623 Y CA -0.194 57.986 58.100 0.134 0.000 1.238 623 Y CB 1.101 39.627 38.460 0.110 0.000 1.322 623 Y HN -0.054 nan 8.280 nan 0.000 0.547 624 G N -0.089 108.875 108.800 0.274 0.000 2.176 624 G HA2 -0.305 3.659 3.960 0.006 0.000 0.252 624 G HA3 -0.305 3.659 3.960 0.006 0.000 0.252 624 G C -0.355 174.698 174.900 0.255 0.000 1.024 624 G CA -0.254 44.971 45.100 0.208 0.000 0.755 624 G HN 0.258 nan 8.290 nan 0.000 0.507 625 W N 0.634 121.983 121.300 0.081 0.000 2.316 625 W HA 0.548 5.212 4.660 0.006 0.000 0.321 625 W C 0.254 176.796 176.519 0.039 0.000 1.203 625 W CA -0.605 56.773 57.345 0.055 0.000 1.214 625 W CB 0.717 30.214 29.460 0.062 0.000 1.169 625 W HN 0.062 nan 8.180 nan 0.000 0.561 626 D N 1.942 122.416 120.400 0.124 0.000 2.434 626 D HA -0.066 4.578 4.640 0.006 0.000 0.252 626 D C 1.217 177.633 176.300 0.193 0.000 1.185 626 D CA 0.303 54.363 54.000 0.100 0.000 0.886 626 D CB 1.518 42.321 40.800 0.004 0.000 1.148 626 D HN 0.231 nan 8.370 nan 0.000 0.483 627 V N 3.544 123.552 119.914 0.158 0.000 2.720 627 V HA -0.245 3.879 4.120 0.006 0.000 0.256 627 V C 1.865 178.051 176.094 0.153 0.000 1.082 627 V CA 1.988 64.383 62.300 0.159 0.000 1.101 627 V CB -0.236 31.651 31.823 0.108 0.000 0.693 627 V HN 0.636 nan 8.190 nan 0.000 0.479 628 T N -0.058 114.567 114.554 0.119 0.000 2.708 628 T HA -0.158 4.195 4.350 0.006 0.000 0.266 628 T C 1.567 176.341 174.700 0.123 0.000 1.037 628 T CA 1.771 63.931 62.100 0.100 0.000 1.146 628 T CB -0.336 68.565 68.868 0.055 0.000 0.865 628 T HN 0.560 nan 8.240 nan 0.000 0.435 629 D N 1.421 121.904 120.400 0.139 0.000 2.097 629 D HA 0.035 4.679 4.640 0.006 0.000 0.197 629 D C 2.380 178.874 176.300 0.325 0.000 0.984 629 D CA 1.200 55.305 54.000 0.175 0.000 0.826 629 D CB -0.596 40.254 40.800 0.083 0.000 0.973 629 D HN 0.376 nan 8.370 nan 0.000 0.460 630 A N 0.563 123.643 122.820 0.434 0.000 2.076 630 A HA -0.178 4.146 4.320 0.006 0.000 0.220 630 A C 2.154 179.859 177.584 0.202 0.000 1.160 630 A CA 1.354 53.559 52.037 0.280 0.000 0.653 630 A CB -0.372 18.746 19.000 0.197 0.000 0.801 630 A HN 0.018 nan 8.150 nan 0.000 0.455 631 R N -0.614 120.026 120.500 0.233 0.000 2.240 631 R HA 0.112 4.456 4.340 0.006 0.000 0.203 631 R C 0.903 177.340 176.300 0.228 0.000 1.011 631 R CA 0.977 57.262 56.100 0.308 0.000 1.007 631 R CB -0.039 30.439 30.300 0.295 0.000 0.911 631 R HN 0.389 nan 8.270 nan 0.000 0.468 632 K N 0.046 120.546 120.400 0.167 0.000 2.681 632 K HA 0.257 4.581 4.320 0.006 0.000 0.211 632 K C -0.691 175.985 176.600 0.126 0.000 1.075 632 K CA -0.160 56.203 56.287 0.128 0.000 1.141 632 K CB 0.539 33.075 32.500 0.059 0.000 0.896 632 K HN 0.074 nan 8.250 nan 0.000 0.470 633 I N 1.208 121.861 120.570 0.137 0.000 2.517 633 I HA -0.095 4.079 4.170 0.006 0.000 0.285 633 I C 0.591 176.851 176.117 0.238 0.000 1.106 633 I CA -0.107 61.244 61.300 0.085 0.000 1.402 633 I CB 0.443 38.435 38.000 -0.014 0.000 1.399 633 I HN 0.303 nan 8.210 nan 0.000 0.535 634 W N 6.128 127.361 121.300 -0.112 0.000 2.576 634 W HA 0.120 4.783 4.660 0.006 0.000 0.275 634 W C 0.789 177.283 176.519 -0.041 0.000 1.241 634 W CA -0.272 57.022 57.345 -0.084 0.000 1.328 634 W CB -0.086 29.310 29.460 -0.107 0.000 1.092 634 W HN 0.676 nan 8.180 nan 0.000 0.586 635 C N -3.694 115.690 119.300 0.139 0.000 3.231 635 C HA 0.596 5.060 4.460 0.006 0.000 0.343 635 C C -0.537 174.525 174.990 0.120 0.000 1.349 635 C CA -1.948 57.186 59.018 0.192 0.000 1.209 635 C CB 0.268 28.136 27.740 0.215 0.000 1.475 635 C HN -0.064 nan 8.230 nan 0.000 0.460 636 F N 0.830 120.872 119.950 0.152 0.000 2.518 636 F HA 0.876 5.407 4.527 0.006 0.000 0.338 636 F C 1.113 177.065 175.800 0.252 0.000 1.065 636 F CA 0.655 58.770 58.000 0.193 0.000 1.012 636 F CB 2.262 41.313 39.000 0.084 0.000 1.297 636 F HN 1.216 nan 8.300 nan 0.000 0.489 637 G N 0.707 109.723 108.800 0.359 0.000 2.616 637 G HA2 0.521 4.485 3.960 0.006 0.000 0.294 637 G HA3 0.521 4.485 3.960 0.006 0.000 0.294 637 G C -3.428 171.424 174.900 -0.080 0.000 1.489 637 G CA -1.137 43.993 45.100 0.051 0.000 0.836 637 G HN 0.203 nan 8.290 nan 0.000 0.527 638 P HA 0.330 nan 4.420 nan 0.000 0.289 638 P C -0.335 176.886 177.300 -0.131 0.000 1.299 638 P CA -0.104 62.877 63.100 -0.199 0.000 0.766 638 P CB 0.527 32.080 31.700 -0.245 0.000 1.226 639 D N -1.741 118.554 120.400 -0.175 0.000 2.983 639 D HA -0.189 4.455 4.640 0.006 0.000 0.225 639 D C 0.932 177.187 176.300 -0.074 0.000 1.174 639 D CA 1.791 55.706 54.000 -0.143 0.000 0.831 639 D CB -1.786 38.929 40.800 -0.141 0.000 1.104 639 D HN 0.850 nan 8.370 nan 0.000 0.421 640 G N 1.032 109.817 108.800 -0.024 0.000 2.168 640 G HA2 -0.373 3.591 3.960 0.006 0.000 0.257 640 G HA3 -0.373 3.591 3.960 0.006 0.000 0.257 640 G C 0.557 175.490 174.900 0.055 0.000 0.997 640 G CA 1.145 46.273 45.100 0.047 0.000 0.708 640 G HN 0.737 nan 8.290 nan 0.000 0.520 641 N N -1.446 117.283 118.700 0.048 0.000 1.899 641 N HA 0.245 4.989 4.740 0.006 0.000 0.223 641 N C 0.933 176.482 175.510 0.064 0.000 1.411 641 N CA 0.834 53.863 53.050 -0.036 0.000 0.737 641 N CB -0.528 37.887 38.487 -0.120 0.000 1.100 641 N HN 0.834 nan 8.380 nan 0.000 0.527 642 G N 1.290 110.158 108.800 0.114 0.000 2.667 642 G HA2 0.304 4.267 3.960 0.006 0.000 0.250 642 G HA3 0.304 4.267 3.960 0.006 0.000 0.250 642 G C -1.971 173.043 174.900 0.190 0.000 1.212 642 G CA -0.941 44.212 45.100 0.087 0.000 0.874 642 G HN 0.083 nan 8.290 nan 0.000 0.561 643 P HA 0.103 nan 4.420 nan 0.000 0.228 643 P C -0.816 176.547 177.300 0.105 0.000 1.748 643 P CA 0.082 63.254 63.100 0.119 0.000 0.909 643 P CB -0.230 31.508 31.700 0.063 0.000 1.882 644 N N 0.924 119.715 118.700 0.153 0.000 2.264 644 N HA 0.441 5.184 4.740 0.006 0.000 0.288 644 N C -0.849 174.834 175.510 0.288 0.000 1.094 644 N CA -0.501 52.677 53.050 0.214 0.000 0.817 644 N CB 2.357 40.934 38.487 0.150 0.000 1.604 644 N HN 0.065 nan 8.380 nan 0.000 0.473 645 L N 1.017 122.367 121.223 0.213 0.000 2.388 645 L HA 0.603 4.947 4.340 0.006 0.000 0.264 645 L C -0.577 176.095 176.870 -0.331 0.000 0.998 645 L CA -1.083 53.690 54.840 -0.112 0.000 0.817 645 L CB 2.540 44.482 42.059 -0.195 0.000 1.338 645 L HN 0.100 nan 8.230 nan 0.000 0.414 646 V N 3.826 123.383 119.914 -0.594 0.000 2.435 646 V HA 0.471 4.595 4.120 0.006 0.000 0.290 646 V C -0.219 175.686 176.094 -0.315 0.000 1.030 646 V CA -0.481 61.468 62.300 -0.584 0.000 0.881 646 V CB 1.937 33.331 31.823 -0.716 0.000 0.983 646 V HN 0.370 nan 8.190 nan 0.000 0.445 647 I N 3.465 123.865 120.570 -0.284 0.000 2.436 647 I HA 0.339 4.513 4.170 0.006 0.000 0.289 647 I C -0.325 175.558 176.117 -0.390 0.000 1.010 647 I CA -0.708 60.454 61.300 -0.229 0.000 1.098 647 I CB 1.718 39.669 38.000 -0.082 0.000 1.266 647 I HN 0.627 nan 8.210 nan 0.000 0.434 648 D N 5.989 126.079 120.400 -0.517 0.000 2.393 648 D HA 0.178 4.822 4.640 0.006 0.000 0.232 648 D C 0.074 176.204 176.300 -0.284 0.000 1.192 648 D CA 0.184 53.815 54.000 -0.614 0.000 0.882 648 D CB 0.693 40.992 40.800 -0.835 0.000 1.038 648 D HN 0.461 nan 8.370 nan 0.000 0.499 649 Q N 2.325 121.983 119.800 -0.236 0.000 2.186 649 Q HA 0.135 4.478 4.340 0.006 0.000 0.241 649 Q C 0.143 176.072 176.000 -0.119 0.000 0.849 649 Q CA -0.314 55.403 55.803 -0.142 0.000 1.053 649 Q CB 0.698 29.359 28.738 -0.127 0.000 1.146 649 Q HN 0.593 nan 8.270 nan 0.000 0.475 650 T N -1.418 113.059 114.554 -0.128 0.000 2.882 650 T HA 0.406 4.760 4.350 0.006 0.000 0.287 650 T C -0.060 174.607 174.700 -0.055 0.000 1.014 650 T CA -0.613 61.434 62.100 -0.089 0.000 1.049 650 T CB 1.324 70.145 68.868 -0.079 0.000 1.001 650 T HN -0.021 nan 8.240 nan 0.000 0.525 651 K N 1.231 121.602 120.400 -0.049 0.000 2.535 651 K HA 0.611 4.935 4.320 0.006 0.000 0.253 651 K C -0.031 176.551 176.600 -0.031 0.000 0.953 651 K CA -0.588 55.677 56.287 -0.036 0.000 0.863 651 K CB 1.630 34.104 32.500 -0.044 0.000 1.111 651 K HN 1.014 nan 8.250 nan 0.000 0.431 652 A N 1.380 124.189 122.820 -0.018 0.000 2.667 652 A HA -0.129 4.195 4.320 0.006 0.000 0.298 652 A C -0.183 177.387 177.584 -0.024 0.000 1.483 652 A CA 0.187 52.210 52.037 -0.022 0.000 0.738 652 A CB -1.874 17.109 19.000 -0.030 0.000 1.067 652 A HN 0.353 nan 8.150 nan 0.000 0.451 653 V N 1.814 121.725 119.914 -0.006 0.000 2.348 653 V HA 0.256 4.380 4.120 0.006 0.000 0.270 653 V C 0.803 176.892 176.094 -0.010 0.000 1.037 653 V CA 0.218 62.521 62.300 0.005 0.000 0.872 653 V CB 1.395 33.239 31.823 0.036 0.000 1.002 653 V HN 0.748 nan 8.190 nan 0.000 0.464 654 Q N 4.022 123.781 119.800 -0.068 0.000 2.289 654 Q HA 0.117 4.461 4.340 0.006 0.000 0.273 654 Q C -0.252 175.657 176.000 -0.152 0.000 1.029 654 Q CA 0.228 55.882 55.803 -0.249 0.000 0.896 654 Q CB 0.025 28.545 28.738 -0.363 0.000 1.182 654 Q HN 0.771 nan 8.270 nan 0.000 0.385 655 Y N 1.073 121.381 120.300 0.013 0.000 4.490 655 Y HA -0.328 4.226 4.550 0.006 0.000 0.233 655 Y C 0.691 176.490 175.900 -0.170 0.000 1.101 655 Y CA 0.159 58.177 58.100 -0.137 0.000 2.010 655 Y CB -1.715 36.683 38.460 -0.103 0.000 1.622 655 Y HN 0.677 nan 8.280 nan 0.000 0.675 656 L N 1.452 122.727 121.223 0.087 0.000 2.079 656 L HA -0.216 4.128 4.340 0.006 0.000 0.210 656 L C 2.823 179.785 176.870 0.153 0.000 1.081 656 L CA 2.688 57.630 54.840 0.169 0.000 0.752 656 L CB -0.663 41.538 42.059 0.238 0.000 0.896 656 L HN 0.593 nan 8.230 nan 0.000 0.433 657 H N -1.225 117.917 119.070 0.120 0.000 2.491 657 H HA -0.072 4.488 4.556 0.006 0.000 0.290 657 H C 1.307 176.619 175.328 -0.028 0.000 1.050 657 H CA 1.318 57.359 56.048 -0.011 0.000 1.309 657 H CB -0.458 29.289 29.762 -0.026 0.000 1.392 657 H HN 0.564 nan 8.280 nan 0.000 0.554 658 E N 1.109 121.053 120.200 -0.425 0.000 2.511 658 E HA 0.044 4.398 4.350 0.006 0.000 0.196 658 E C 1.652 178.201 176.600 -0.085 0.000 1.066 658 E CA 0.662 56.919 56.400 -0.238 0.000 0.871 658 E CB 0.156 29.694 29.700 -0.270 0.000 0.863 658 E HN 0.760 nan 8.360 nan 0.000 0.520 659 I N -2.981 117.571 120.570 -0.031 0.000 4.081 659 I HA 0.206 4.379 4.170 0.006 0.000 0.333 659 I C 1.826 177.966 176.117 0.039 0.000 1.413 659 I CA -0.333 60.986 61.300 0.032 0.000 1.110 659 I CB 0.308 38.364 38.000 0.093 0.000 1.082 659 I HN -0.193 nan 8.210 nan 0.000 0.402 660 K N 1.882 122.218 120.400 -0.107 0.000 2.026 660 K HA -0.186 4.138 4.320 0.006 0.000 0.208 660 K C 1.342 177.836 176.600 -0.177 0.000 1.048 660 K CA 2.291 58.351 56.287 -0.378 0.000 0.929 660 K CB 0.003 31.990 32.500 -0.856 0.000 0.713 660 K HN 0.319 nan 8.250 nan 0.000 0.439 661 D N 0.116 120.446 120.400 -0.116 0.000 2.144 661 D HA -0.107 4.537 4.640 0.006 0.000 0.199 661 D C 1.947 178.262 176.300 0.025 0.000 0.984 661 D CA 1.038 55.011 54.000 -0.045 0.000 0.834 661 D CB -0.122 40.658 40.800 -0.033 0.000 0.955 661 D HN 0.142 nan 8.370 nan 0.000 0.465 662 S N -0.220 115.505 115.700 0.041 0.000 2.371 662 S HA -0.070 4.404 4.470 0.006 0.000 0.224 662 S C 2.313 176.985 174.600 0.119 0.000 1.029 662 S CA 0.359 58.605 58.200 0.077 0.000 0.978 662 S CB -0.033 63.205 63.200 0.063 0.000 0.833 662 S HN 0.075 nan 8.310 nan 0.000 0.466 663 V N 1.483 121.490 119.914 0.154 0.000 2.295 663 V HA -0.131 3.993 4.120 0.006 0.000 0.246 663 V C 2.308 178.537 176.094 0.225 0.000 1.049 663 V CA 1.393 63.821 62.300 0.213 0.000 1.024 663 V CB -0.728 31.311 31.823 0.360 0.000 0.648 663 V HN 0.319 nan 8.190 nan 0.000 0.447 664 V N 0.296 120.333 119.914 0.205 0.000 2.332 664 V HA -0.282 3.842 4.120 0.006 0.000 0.248 664 V C 2.715 178.931 176.094 0.202 0.000 1.055 664 V CA 2.049 64.473 62.300 0.205 0.000 1.038 664 V CB -1.141 30.755 31.823 0.121 0.000 0.651 664 V HN 0.567 nan 8.190 nan 0.000 0.450 665 A N 0.097 123.011 122.820 0.158 0.000 1.865 665 A HA -0.198 4.126 4.320 0.006 0.000 0.217 665 A C 2.466 180.203 177.584 0.255 0.000 1.191 665 A CA 2.392 54.531 52.037 0.171 0.000 0.623 665 A CB -0.985 18.126 19.000 0.185 0.000 0.826 665 A HN 0.600 nan 8.150 nan 0.000 0.444 666 A N -1.443 121.522 122.820 0.243 0.000 1.908 666 A HA -0.124 4.199 4.320 0.006 0.000 0.218 666 A C 2.055 179.765 177.584 0.210 0.000 1.181 666 A CA 1.815 53.985 52.037 0.221 0.000 0.627 666 A CB -0.764 18.313 19.000 0.128 0.000 0.818 666 A HN 0.648 nan 8.150 nan 0.000 0.445 667 F N 0.643 120.624 119.950 0.052 0.000 2.171 667 F HA -0.187 4.344 4.527 0.006 0.000 0.300 667 F C 2.489 178.285 175.800 -0.006 0.000 1.090 667 F CA 1.940 59.951 58.000 0.018 0.000 1.293 667 F CB -0.188 38.835 39.000 0.038 0.000 1.013 667 F HN 0.224 nan 8.300 nan 0.000 0.486 668 Q N -0.836 118.954 119.800 -0.018 0.000 2.084 668 Q HA -0.238 4.106 4.340 0.006 0.000 0.202 668 Q C 2.199 178.001 176.000 -0.329 0.000 0.978 668 Q CA 2.107 57.764 55.803 -0.243 0.000 0.844 668 Q CB -1.173 27.382 28.738 -0.306 0.000 0.898 668 Q HN 0.615 nan 8.270 nan 0.000 0.426 669 W N 0.565 121.806 121.300 -0.098 0.000 2.453 669 W HA 0.037 4.701 4.660 0.006 0.000 0.289 669 W C 2.472 178.918 176.519 -0.122 0.000 1.215 669 W CA 0.767 58.056 57.345 -0.093 0.000 1.297 669 W CB -0.316 29.109 29.460 -0.059 0.000 1.113 669 W HN 0.131 nan 8.180 nan 0.000 0.551 670 A N 0.184 123.020 122.820 0.027 0.000 1.930 670 A HA -0.195 4.129 4.320 0.006 0.000 0.217 670 A C 1.919 179.437 177.584 -0.110 0.000 1.175 670 A CA 2.309 54.301 52.037 -0.074 0.000 0.627 670 A CB -1.402 17.442 19.000 -0.259 0.000 0.815 670 A HN 0.295 nan 8.150 nan 0.000 0.443 671 T N -3.219 111.142 114.554 -0.322 0.000 3.067 671 T HA 0.049 4.403 4.350 0.006 0.000 0.261 671 T C 1.687 176.233 174.700 -0.257 0.000 1.110 671 T CA 1.319 63.199 62.100 -0.366 0.000 1.113 671 T CB 0.034 68.528 68.868 -0.624 0.000 0.917 671 T HN 0.272 nan 8.240 nan 0.000 0.499 672 K N 1.962 122.239 120.400 -0.205 0.000 2.062 672 K HA 0.097 4.421 4.320 0.006 0.000 0.205 672 K C 0.486 177.007 176.600 -0.132 0.000 1.051 672 K CA 0.981 57.161 56.287 -0.177 0.000 0.941 672 K CB 0.148 32.550 32.500 -0.162 0.000 0.719 672 K HN 0.532 nan 8.250 nan 0.000 0.440 673 E N 0.068 120.224 120.200 -0.072 0.000 2.460 673 E HA 0.285 4.638 4.350 0.006 0.000 0.249 673 E C -0.697 175.822 176.600 -0.136 0.000 0.962 673 E CA -0.521 55.815 56.400 -0.107 0.000 0.787 673 E CB 1.428 31.102 29.700 -0.044 0.000 1.341 673 E HN 0.314 nan 8.360 nan 0.000 0.407 674 G N 2.697 111.341 108.800 -0.261 0.000 2.651 674 G HA2 0.127 4.091 3.960 0.006 0.000 0.260 674 G HA3 0.127 4.091 3.960 0.006 0.000 0.260 674 G C -1.358 173.201 174.900 -0.570 0.000 1.216 674 G CA -0.894 43.957 45.100 -0.415 0.000 0.913 674 G HN 0.266 nan 8.290 nan 0.000 0.535 675 P HA 0.016 nan 4.420 nan 0.000 0.237 675 P C 1.591 178.738 177.300 -0.255 0.000 1.178 675 P CA 0.536 63.179 63.100 -0.762 0.000 0.766 675 P CB 0.308 31.513 31.700 -0.825 0.000 0.876 676 I N -0.478 120.020 120.570 -0.119 0.000 2.235 676 I HA -0.064 4.110 4.170 0.006 0.000 0.241 676 I C 1.499 177.806 176.117 0.316 0.000 1.085 676 I CA 1.529 62.925 61.300 0.159 0.000 1.378 676 I CB -0.237 37.959 38.000 0.326 0.000 1.076 676 I HN -0.075 nan 8.210 nan 0.000 0.415 677 F N -1.484 118.392 119.950 -0.124 0.000 2.455 677 F HA 0.536 5.067 4.527 0.006 0.000 0.365 677 F C 0.598 176.296 175.800 -0.170 0.000 1.365 677 F CA -0.215 57.721 58.000 -0.106 0.000 1.038 677 F CB -0.296 38.680 39.000 -0.040 0.000 1.408 677 F HN 0.055 nan 8.300 nan 0.000 0.498 678 G N 0.131 108.731 108.800 -0.334 0.000 2.159 678 G HA2 -0.232 3.732 3.960 0.006 0.000 0.256 678 G HA3 -0.232 3.732 3.960 0.006 0.000 0.256 678 G C 0.000 174.648 174.900 -0.420 0.000 0.977 678 G CA 0.295 45.167 45.100 -0.379 0.000 0.652 678 G HN 0.458 nan 8.290 nan 0.000 0.531 679 E N 0.848 120.686 120.200 -0.603 0.000 2.318 679 E HA 0.347 4.701 4.350 0.006 0.000 0.265 679 E C 0.671 177.082 176.600 -0.315 0.000 1.069 679 E CA -0.501 55.600 56.400 -0.499 0.000 0.893 679 E CB 0.681 29.943 29.700 -0.731 0.000 1.076 679 E HN 0.582 nan 8.360 nan 0.000 0.414 680 E N 1.109 121.160 120.200 -0.247 0.000 2.415 680 E HA 0.029 4.383 4.350 0.006 0.000 0.262 680 E C 0.091 176.560 176.600 -0.218 0.000 1.038 680 E CA 0.245 56.507 56.400 -0.231 0.000 0.921 680 E CB 0.583 30.143 29.700 -0.234 0.000 0.950 680 E HN 0.223 nan 8.360 nan 0.000 0.438 681 M N 1.959 121.443 119.600 -0.195 0.000 2.255 681 M HA 0.288 4.772 4.480 0.006 0.000 0.336 681 M C 0.192 176.418 176.300 -0.123 0.000 1.135 681 M CA 0.220 55.453 55.300 -0.112 0.000 1.145 681 M CB 1.009 33.559 32.600 -0.084 0.000 1.473 681 M HN 0.333 nan 8.290 nan 0.000 0.462 682 R N 0.028 120.492 120.500 -0.060 0.000 2.584 682 R HA 0.297 4.640 4.340 0.006 0.000 0.276 682 R C -0.811 175.492 176.300 0.004 0.000 1.046 682 R CA -0.129 55.916 56.100 -0.092 0.000 0.906 682 R CB 1.465 31.607 30.300 -0.264 0.000 1.215 682 R HN 0.841 nan 8.270 nan 0.000 0.449 683 S N 0.649 116.367 115.700 0.030 0.000 3.749 683 S HA -0.125 4.349 4.470 0.006 0.000 0.348 683 S C -0.527 174.128 174.600 0.090 0.000 1.045 683 S CA 0.790 59.030 58.200 0.066 0.000 1.051 683 S CB -1.304 61.929 63.200 0.055 0.000 0.898 683 S HN 0.371 nan 8.310 nan 0.000 0.472 684 V N 1.699 121.689 119.914 0.127 0.000 2.334 684 V HA 0.456 4.580 4.120 0.006 0.000 0.281 684 V C 0.490 176.700 176.094 0.194 0.000 1.016 684 V CA -0.606 61.793 62.300 0.165 0.000 0.832 684 V CB 1.530 33.505 31.823 0.253 0.000 0.999 684 V HN 0.483 nan 8.190 nan 0.000 0.439 685 R N 4.183 124.763 120.500 0.133 0.000 2.265 685 R HA 0.685 5.028 4.340 0.006 0.000 0.319 685 R C -1.472 174.865 176.300 0.062 0.000 1.006 685 R CA -0.344 55.820 56.100 0.107 0.000 0.880 685 R CB 1.583 31.934 30.300 0.085 0.000 1.077 685 R HN 0.497 nan 8.270 nan 0.000 0.454 686 V N 5.179 125.101 119.914 0.014 0.000 2.384 686 V HA 0.286 4.410 4.120 0.006 0.000 0.287 686 V C -0.704 175.317 176.094 -0.122 0.000 1.020 686 V CA -0.959 61.321 62.300 -0.033 0.000 0.850 686 V CB 1.626 33.437 31.823 -0.021 0.000 0.987 686 V HN 0.795 nan 8.190 nan 0.000 0.436 687 N N 5.243 123.880 118.700 -0.105 0.000 2.457 687 N HA 0.468 5.212 4.740 0.006 0.000 0.250 687 N C -0.426 175.001 175.510 -0.138 0.000 0.982 687 N CA -0.317 52.649 53.050 -0.140 0.000 0.941 687 N CB 1.983 40.397 38.487 -0.123 0.000 1.120 687 N HN 0.559 nan 8.380 nan 0.000 0.505 688 I N 3.306 123.752 120.570 -0.207 0.000 2.421 688 I HA 0.022 4.196 4.170 0.006 0.000 0.291 688 I C 1.451 177.482 176.117 -0.143 0.000 1.089 688 I CA -0.077 61.111 61.300 -0.186 0.000 1.354 688 I CB 0.644 38.458 38.000 -0.311 0.000 1.413 688 I HN 0.375 nan 8.210 nan 0.000 0.513 689 L N 4.307 125.491 121.223 -0.065 0.000 2.298 689 L HA 0.227 4.571 4.340 0.006 0.000 0.209 689 L C 0.313 177.141 176.870 -0.069 0.000 1.084 689 L CA 0.687 55.490 54.840 -0.062 0.000 0.816 689 L CB -0.086 41.954 42.059 -0.030 0.000 0.967 689 L HN 0.621 nan 8.230 nan 0.000 0.460 690 D N -1.616 118.774 120.400 -0.016 0.000 2.685 690 D HA 0.448 5.091 4.640 0.006 0.000 0.236 690 D C -1.567 174.811 176.300 0.131 0.000 1.233 690 D CA -0.133 53.841 54.000 -0.043 0.000 0.760 690 D CB 2.619 43.243 40.800 -0.292 0.000 1.410 690 D HN -0.322 nan 8.370 nan 0.000 0.439 691 V N 1.536 121.506 119.914 0.093 0.000 2.711 691 V HA 0.593 4.717 4.120 0.006 0.000 0.304 691 V C -0.393 175.780 176.094 0.132 0.000 1.097 691 V CA -0.751 61.641 62.300 0.153 0.000 0.906 691 V CB 1.999 33.881 31.823 0.099 0.000 1.015 691 V HN 0.742 nan 8.190 nan 0.000 0.427 692 T N 3.543 118.203 114.554 0.176 0.000 2.797 692 T HA 0.883 5.237 4.350 0.006 0.000 0.279 692 T C -0.817 173.961 174.700 0.130 0.000 0.991 692 T CA -0.596 61.586 62.100 0.137 0.000 0.979 692 T CB 1.391 70.352 68.868 0.154 0.000 0.943 692 T HN 0.373 nan 8.240 nan 0.000 0.444 693 L N 2.186 123.483 121.223 0.124 0.000 2.354 693 L HA 0.471 4.815 4.340 0.006 0.000 0.264 693 L C 0.219 177.171 176.870 0.136 0.000 1.008 693 L CA -1.408 53.517 54.840 0.141 0.000 0.819 693 L CB 2.013 44.163 42.059 0.152 0.000 1.339 693 L HN 0.718 nan 8.230 nan 0.000 0.420 694 H N 1.224 120.324 119.070 0.052 0.000 2.848 694 H HA 0.109 4.668 4.556 0.006 0.000 0.341 694 H C 0.661 175.973 175.328 -0.027 0.000 1.060 694 H CA 0.584 56.626 56.048 -0.010 0.000 1.444 694 H CB 1.930 31.653 29.762 -0.065 0.000 1.446 694 H HN 0.827 nan 8.280 nan 0.000 0.583 695 A N 4.877 127.647 122.820 -0.084 0.000 1.986 695 A HA -0.140 4.183 4.320 0.006 0.000 0.220 695 A C 0.609 178.180 177.584 -0.021 0.000 1.171 695 A CA 1.274 53.314 52.037 0.005 0.000 0.640 695 A CB -0.016 18.962 19.000 -0.038 0.000 0.811 695 A HN 0.711 nan 8.150 nan 0.000 0.451 696 D N -0.627 119.922 120.400 0.248 0.000 2.249 696 D HA 0.485 5.129 4.640 0.006 0.000 0.246 696 D C 1.060 177.319 176.300 -0.069 0.000 1.114 696 D CA 0.570 54.591 54.000 0.036 0.000 0.854 696 D CB 1.570 42.390 40.800 0.034 0.000 1.132 696 D HN 0.173 nan 8.370 nan 0.000 0.461 697 A N 3.804 126.537 122.820 -0.146 0.000 2.076 697 A HA -0.109 4.215 4.320 0.006 0.000 0.220 697 A C 1.285 178.806 177.584 -0.104 0.000 1.160 697 A CA 0.674 52.631 52.037 -0.134 0.000 0.653 697 A CB -0.552 18.362 19.000 -0.143 0.000 0.801 697 A HN 0.664 nan 8.150 nan 0.000 0.455 701 G N -0.383 108.408 108.800 -0.015 0.000 2.525 701 G HA2 0.448 4.412 3.960 0.006 0.000 0.287 701 G HA3 0.448 4.412 3.960 0.006 0.000 0.287 701 G C 0.981 175.883 174.900 0.002 0.000 1.350 701 G CA -0.485 44.608 45.100 -0.012 0.000 1.039 701 G HN 0.254 nan 8.290 nan 0.000 0.513 702 G N -0.240 108.563 108.800 0.006 0.000 2.476 702 G HA2 -0.080 3.884 3.960 0.006 0.000 0.218 702 G HA3 -0.080 3.884 3.960 0.006 0.000 0.218 702 G C 1.813 176.719 174.900 0.010 0.000 1.164 702 G CA 1.586 46.696 45.100 0.017 0.000 0.768 702 G HN 1.008 nan 8.290 nan 0.000 0.560 703 G N -0.595 108.204 108.800 -0.002 0.000 2.462 703 G HA2 -0.149 3.815 3.960 0.006 0.000 0.220 703 G HA3 -0.149 3.815 3.960 0.006 0.000 0.220 703 G C 1.864 176.759 174.900 -0.008 0.000 1.121 703 G CA 1.220 46.313 45.100 -0.011 0.000 0.758 703 G HN 0.398 nan 8.290 nan 0.000 0.559 704 Q N -0.303 119.497 119.800 -0.001 0.000 2.134 704 Q HA 0.135 4.479 4.340 0.006 0.000 0.195 704 Q C 2.789 178.796 176.000 0.012 0.000 0.958 704 Q CA 0.303 56.108 55.803 0.004 0.000 0.840 704 Q CB -0.198 28.547 28.738 0.011 0.000 0.918 704 Q HN 0.397 nan 8.270 nan 0.000 0.467 705 I N 0.914 121.497 120.570 0.022 0.000 2.233 705 I HA -0.164 4.009 4.170 0.006 0.000 0.243 705 I C 2.455 178.591 176.117 0.031 0.000 1.093 705 I CA 0.801 62.121 61.300 0.034 0.000 1.380 705 I CB -1.070 36.961 38.000 0.052 0.000 1.067 705 I HN 0.121 nan 8.210 nan 0.000 0.413 706 I N 1.481 122.070 120.570 0.032 0.000 2.113 706 I HA -0.267 3.906 4.170 0.006 0.000 0.242 706 I C -0.305 175.814 176.117 0.003 0.000 1.064 706 I CA 2.077 63.398 61.300 0.034 0.000 1.320 706 I CB -1.865 36.155 38.000 0.033 0.000 1.028 706 I HN 0.160 nan 8.210 nan 0.000 0.406 707 P HA -0.099 nan 4.420 nan 0.000 0.218 707 P C 1.570 178.858 177.300 -0.019 0.000 1.149 707 P CA 1.449 64.535 63.100 -0.023 0.000 0.817 707 P CB -0.156 31.534 31.700 -0.016 0.000 0.785 708 T N -0.324 114.223 114.554 -0.012 0.000 2.674 708 T HA -0.190 4.164 4.350 0.006 0.000 0.265 708 T C 1.755 176.437 174.700 -0.030 0.000 1.039 708 T CA 1.737 63.825 62.100 -0.020 0.000 1.150 708 T CB -0.803 68.057 68.868 -0.014 0.000 0.864 708 T HN 0.056 nan 8.240 nan 0.000 0.427 709 M N 1.422 121.015 119.600 -0.012 0.000 2.117 709 M HA 0.012 4.496 4.480 0.006 0.000 0.262 709 M C 2.183 178.449 176.300 -0.056 0.000 1.065 709 M CA 1.550 56.846 55.300 -0.007 0.000 1.114 709 M CB -0.441 32.187 32.600 0.046 0.000 1.361 709 M HN 0.063 nan 8.290 nan 0.000 0.408 710 R N -0.512 119.927 120.500 -0.101 0.000 2.081 710 R HA -0.112 4.231 4.340 0.006 0.000 0.235 710 R C 2.246 178.268 176.300 -0.463 0.000 1.131 710 R CA 1.830 57.758 56.100 -0.287 0.000 0.960 710 R CB -0.143 30.006 30.300 -0.251 0.000 0.856 710 R HN 0.419 nan 8.270 nan 0.000 0.436 711 R N -0.311 120.069 120.500 -0.200 0.000 2.090 711 R HA 0.014 4.357 4.340 0.006 0.000 0.228 711 R C 2.326 178.640 176.300 0.024 0.000 1.110 711 R CA 1.070 57.148 56.100 -0.037 0.000 0.973 711 R CB -0.226 30.164 30.300 0.149 0.000 0.869 711 R HN 0.245 nan 8.270 nan 0.000 0.440 712 A N 0.604 123.413 122.820 -0.018 0.000 1.933 712 A HA -0.141 4.183 4.320 0.006 0.000 0.218 712 A C 2.121 179.733 177.584 0.046 0.000 1.175 712 A CA 1.804 53.847 52.037 0.010 0.000 0.628 712 A CB -0.739 18.234 19.000 -0.045 0.000 0.814 712 A HN 0.228 nan 8.150 nan 0.000 0.444 713 T N -0.912 113.631 114.554 -0.018 0.000 2.674 713 T HA -0.153 4.201 4.350 0.006 0.000 0.265 713 T C 1.783 176.568 174.700 0.143 0.000 1.039 713 T CA 1.739 63.862 62.100 0.039 0.000 1.150 713 T CB -0.465 68.391 68.868 -0.020 0.000 0.864 713 T HN 0.498 nan 8.240 nan 0.000 0.427 714 Y N 1.655 121.921 120.300 -0.057 0.000 2.165 714 Y HA -0.039 4.515 4.550 0.006 0.000 0.286 714 Y C 2.778 178.740 175.900 0.104 0.000 1.155 714 Y CA 0.126 58.124 58.100 -0.170 0.000 1.164 714 Y CB -1.461 36.524 38.460 -0.792 0.000 0.978 714 Y HN 0.213 nan 8.280 nan 0.000 0.513 715 A N 0.127 123.165 122.820 0.363 0.000 1.865 715 A HA -0.146 4.178 4.320 0.006 0.000 0.217 715 A C 2.716 180.510 177.584 0.351 0.000 1.191 715 A CA 2.056 54.380 52.037 0.478 0.000 0.623 715 A CB -1.476 17.820 19.000 0.494 0.000 0.826 715 A HN 0.456 nan 8.150 nan 0.000 0.444 716 G N -1.467 107.482 108.800 0.249 0.000 2.418 716 G HA2 -0.236 3.727 3.960 0.006 0.000 0.217 716 G HA3 -0.236 3.727 3.960 0.006 0.000 0.217 716 G C 1.496 176.497 174.900 0.169 0.000 1.158 716 G CA 1.134 46.328 45.100 0.158 0.000 0.771 716 G HN 0.494 nan 8.290 nan 0.000 0.545 717 F N 0.693 120.710 119.950 0.111 0.000 2.069 717 F HA -0.080 4.451 4.527 0.006 0.000 0.298 717 F C 2.356 178.212 175.800 0.094 0.000 1.113 717 F CA 1.063 59.123 58.000 0.101 0.000 1.214 717 F CB -0.131 38.946 39.000 0.129 0.000 0.978 717 F HN 0.026 nan 8.300 nan 0.000 0.474 718 L N 0.313 121.805 121.223 0.448 0.000 2.261 718 L HA -0.174 4.170 4.340 0.006 0.000 0.216 718 L C 2.010 178.963 176.870 0.137 0.000 1.114 718 L CA 1.452 56.499 54.840 0.346 0.000 0.777 718 L CB -1.147 41.187 42.059 0.459 0.000 0.910 718 L HN 0.276 nan 8.230 nan 0.000 0.440 719 L N -1.389 119.848 121.223 0.023 0.000 2.509 719 L HA 0.091 4.435 4.340 0.006 0.000 0.222 719 L C 1.614 178.393 176.870 -0.150 0.000 1.123 719 L CA 0.322 55.058 54.840 -0.174 0.000 0.856 719 L CB -0.257 41.615 42.059 -0.310 0.000 0.985 719 L HN 0.171 nan 8.230 nan 0.000 0.456 720 A N -0.775 121.957 122.820 -0.146 0.000 2.684 720 A HA 0.165 4.489 4.320 0.006 0.000 0.288 720 A C -0.017 177.449 177.584 -0.197 0.000 1.337 720 A CA -0.242 51.690 52.037 -0.176 0.000 0.946 720 A CB -0.309 18.575 19.000 -0.194 0.000 1.093 720 A HN 0.325 nan 8.150 nan 0.000 0.543 721 D N -0.513 119.799 120.400 -0.147 0.000 3.187 721 D HA -0.087 4.556 4.640 0.006 0.000 0.244 721 D C -2.815 173.394 176.300 -0.152 0.000 1.114 721 D CA 0.344 54.277 54.000 -0.112 0.000 0.920 721 D CB -0.661 40.084 40.800 -0.091 0.000 0.970 721 D HN 0.302 nan 8.370 nan 0.000 0.418 722 P HA 0.229 nan 4.420 nan 0.000 0.271 722 P C -0.259 177.035 177.300 -0.009 0.000 1.216 722 P CA 0.187 63.211 63.100 -0.127 0.000 0.776 722 P CB 0.766 32.520 31.700 0.089 0.000 0.881 723 K N 1.955 122.375 120.400 0.033 0.000 2.499 723 K HA 0.649 4.973 4.320 0.006 0.000 0.277 723 K C -0.467 176.224 176.600 0.151 0.000 1.025 723 K CA -0.966 55.364 56.287 0.073 0.000 0.900 723 K CB 2.103 34.628 32.500 0.042 0.000 1.494 723 K HN 0.434 nan 8.250 nan 0.000 0.442 724 I N -1.776 118.878 120.570 0.141 0.000 2.740 724 I HA 0.450 4.624 4.170 0.006 0.000 0.303 724 I C -1.099 175.159 176.117 0.235 0.000 1.044 724 I CA -0.841 60.589 61.300 0.216 0.000 1.064 724 I CB 2.228 40.347 38.000 0.198 0.000 1.249 724 I HN 0.432 nan 8.210 nan 0.000 0.433 725 Q N 3.470 123.453 119.800 0.305 0.000 2.337 725 Q HA 0.398 4.741 4.340 0.006 0.000 0.266 725 Q C -1.319 175.027 176.000 0.577 0.000 1.023 725 Q CA -0.776 55.245 55.803 0.364 0.000 0.829 725 Q CB 2.726 31.635 28.738 0.286 0.000 1.306 725 Q HN 0.744 nan 8.270 nan 0.000 0.449 726 E N 2.168 122.672 120.200 0.506 0.000 2.191 726 E HA 0.530 4.884 4.350 0.006 0.000 0.274 726 E C -2.595 174.117 176.600 0.186 0.000 0.948 726 E CA -2.347 54.280 56.400 0.377 0.000 0.802 726 E CB 1.529 31.407 29.700 0.298 0.000 1.137 726 E HN 0.175 nan 8.360 nan 0.000 0.397 727 P HA 0.047 nan 4.420 nan 0.000 0.275 727 P C -0.615 176.359 177.300 -0.543 0.000 1.227 727 P CA -0.361 62.403 63.100 -0.560 0.000 0.781 727 P CB 1.094 32.349 31.700 -0.743 0.000 0.906 728 V N 3.921 123.370 119.914 -0.774 0.000 2.638 728 V HA 0.325 4.449 4.120 0.006 0.000 0.306 728 V C 0.024 175.650 176.094 -0.781 0.000 1.052 728 V CA -0.537 61.301 62.300 -0.770 0.000 0.885 728 V CB 1.297 32.577 31.823 -0.905 0.000 0.999 728 V HN 0.330 nan 8.190 nan 0.000 0.424 729 F N 3.755 123.502 119.950 -0.339 0.000 2.382 729 F HA 0.558 5.089 4.527 0.007 0.000 0.331 729 F C 0.097 175.817 175.800 -0.134 0.000 1.121 729 F CA -0.752 57.094 58.000 -0.257 0.000 1.183 729 F CB 1.154 40.010 39.000 -0.240 0.000 1.207 729 F HN 0.319 nan 8.300 nan 0.000 0.555 730 L N 3.806 125.102 121.223 0.122 0.000 2.276 730 L HA 0.598 4.941 4.340 0.006 0.000 0.286 730 L C -1.030 175.793 176.870 -0.079 0.000 1.024 730 L CA -0.496 54.359 54.840 0.024 0.000 0.826 730 L CB 1.024 43.094 42.059 0.018 0.000 1.211 730 L HN 0.391 nan 8.230 nan 0.000 0.422 731 V N 5.819 125.649 119.914 -0.140 0.000 2.435 731 V HA 0.522 4.646 4.120 0.006 0.000 0.290 731 V C -0.546 175.464 176.094 -0.141 0.000 1.030 731 V CA -0.356 61.840 62.300 -0.175 0.000 0.881 731 V CB 1.676 33.360 31.823 -0.232 0.000 0.983 731 V HN 0.946 nan 8.190 nan 0.000 0.445 732 E N 6.710 126.838 120.200 -0.120 0.000 2.145 732 E HA 0.481 4.835 4.350 0.006 0.000 0.262 732 E C -1.291 175.281 176.600 -0.048 0.000 0.883 732 E CA -0.606 55.746 56.400 -0.080 0.000 0.748 732 E CB 1.306 30.965 29.700 -0.069 0.000 1.140 732 E HN 0.764 nan 8.360 nan 0.000 0.417 733 I N 3.933 124.490 120.570 -0.022 0.000 2.355 733 I HA 0.218 4.392 4.170 0.006 0.000 0.288 733 I C -0.315 175.836 176.117 0.058 0.000 0.999 733 I CA -0.970 60.336 61.300 0.010 0.000 1.163 733 I CB 1.643 39.640 38.000 -0.005 0.000 1.316 733 I HN 0.420 nan 8.210 nan 0.000 0.454 734 Q N 4.611 124.482 119.800 0.118 0.000 2.267 734 Q HA 0.509 4.853 4.340 0.006 0.000 0.255 734 Q C -0.949 175.113 176.000 0.103 0.000 0.923 734 Q CA 0.129 56.003 55.803 0.117 0.000 0.925 734 Q CB 1.715 30.526 28.738 0.122 0.000 1.195 734 Q HN 0.727 nan 8.270 nan 0.000 0.417 735 C N 4.754 124.117 119.300 0.105 0.000 3.181 735 C HA 0.570 5.033 4.460 0.006 0.000 0.362 735 C C -2.764 172.331 174.990 0.174 0.000 1.125 735 C CA -1.739 57.343 59.018 0.106 0.000 1.265 735 C CB 1.470 29.263 27.740 0.089 0.000 1.632 735 C HN 0.647 nan 8.230 nan 0.000 0.525 736 P HA 0.144 nan 4.420 nan 0.000 0.268 736 P C 0.543 178.012 177.300 0.282 0.000 1.205 736 P CA 0.554 63.788 63.100 0.223 0.000 0.771 736 P CB 0.538 32.344 31.700 0.177 0.000 0.858 737 E N 3.213 123.647 120.200 0.391 0.000 2.086 737 E HA -0.364 3.990 4.350 0.006 0.000 0.205 737 E C 1.590 178.302 176.600 0.186 0.000 1.027 737 E CA 2.129 58.800 56.400 0.452 0.000 0.830 737 E CB -0.241 29.767 29.700 0.513 0.000 0.751 737 E HN 0.536 nan 8.360 nan 0.000 0.456 738 Q N -0.108 119.781 119.800 0.147 0.000 2.112 738 Q HA -0.176 4.167 4.340 0.006 0.000 0.206 738 Q C 2.065 178.104 176.000 0.065 0.000 0.987 738 Q CA 1.779 57.634 55.803 0.087 0.000 0.858 738 Q CB -0.373 28.411 28.738 0.077 0.000 0.905 738 Q HN 0.313 nan 8.270 nan 0.000 0.420 739 A N 0.600 123.465 122.820 0.075 0.000 2.275 739 A HA 0.202 4.526 4.320 0.006 0.000 0.212 739 A C 2.081 179.693 177.584 0.046 0.000 1.201 739 A CA -0.007 52.061 52.037 0.052 0.000 0.843 739 A CB -0.007 19.021 19.000 0.046 0.000 0.873 739 A HN 0.210 nan 8.150 nan 0.000 0.492 740 V N 0.106 120.052 119.914 0.052 0.000 2.469 740 V HA -0.244 3.880 4.120 0.006 0.000 0.251 740 V C 2.764 178.920 176.094 0.103 0.000 1.064 740 V CA 2.078 64.400 62.300 0.036 0.000 1.066 740 V CB -1.090 30.693 31.823 -0.066 0.000 0.667 740 V HN 0.611 nan 8.190 nan 0.000 0.461 741 G N -0.050 108.804 108.800 0.090 0.000 2.450 741 G HA2 -0.178 3.786 3.960 0.006 0.000 0.220 741 G HA3 -0.178 3.786 3.960 0.006 0.000 0.220 741 G C 1.574 176.542 174.900 0.114 0.000 1.130 741 G CA 0.907 46.079 45.100 0.119 0.000 0.760 741 G HN 0.599 nan 8.290 nan 0.000 0.557 742 G N 0.861 109.695 108.800 0.056 0.000 2.422 742 G HA2 -0.107 3.857 3.960 0.006 0.000 0.218 742 G HA3 -0.107 3.857 3.960 0.006 0.000 0.218 742 G C 1.716 176.616 174.900 0.001 0.000 1.140 742 G CA 0.658 45.771 45.100 0.022 0.000 0.775 742 G HN 0.456 nan 8.290 nan 0.000 0.545 743 I N -0.497 120.059 120.570 -0.024 0.000 2.099 743 I HA -0.217 3.957 4.170 0.006 0.000 0.239 743 I C 2.437 178.494 176.117 -0.100 0.000 1.066 743 I CA 1.236 62.469 61.300 -0.112 0.000 1.324 743 I CB -0.367 37.490 38.000 -0.239 0.000 1.037 743 I HN 0.138 nan 8.210 nan 0.000 0.401 744 Y N 0.182 120.485 120.300 0.004 0.000 2.224 744 Y HA -0.257 4.296 4.550 0.006 0.000 0.289 744 Y C 3.004 178.916 175.900 0.020 0.000 1.146 744 Y CA 1.657 59.764 58.100 0.011 0.000 1.182 744 Y CB -0.737 37.716 38.460 -0.011 0.000 0.983 744 Y HN 0.140 nan 8.280 nan 0.000 0.524 745 S N -0.400 115.393 115.700 0.156 0.000 2.383 745 S HA -0.163 4.311 4.470 0.006 0.000 0.229 745 S C 2.056 176.701 174.600 0.074 0.000 1.030 745 S CA 1.603 59.858 58.200 0.093 0.000 1.002 745 S CB -0.605 62.630 63.200 0.058 0.000 0.829 745 S HN 0.216 nan 8.310 nan 0.000 0.467 746 V N 1.662 121.611 119.914 0.059 0.000 2.446 746 V HA 0.031 4.155 4.120 0.006 0.000 0.244 746 V C 2.313 178.490 176.094 0.140 0.000 1.039 746 V CA 1.293 63.633 62.300 0.066 0.000 1.045 746 V CB -0.599 31.216 31.823 -0.013 0.000 0.681 746 V HN 0.455 nan 8.190 nan 0.000 0.459 747 L N 0.556 121.865 121.223 0.145 0.000 2.191 747 L HA -0.114 4.229 4.340 0.006 0.000 0.212 747 L C 1.790 178.730 176.870 0.117 0.000 1.103 747 L CA 1.066 55.992 54.840 0.143 0.000 0.769 747 L CB -0.579 41.530 42.059 0.085 0.000 0.908 747 L HN 0.394 nan 8.230 nan 0.000 0.438 748 N N 0.733 119.501 118.700 0.113 0.000 2.449 748 N HA -0.059 4.685 4.740 0.006 0.000 0.191 748 N C 0.920 176.479 175.510 0.083 0.000 1.161 748 N CA 0.565 53.673 53.050 0.097 0.000 0.863 748 N CB 0.092 38.637 38.487 0.096 0.000 0.980 748 N HN 0.549 nan 8.380 nan 0.000 0.458 749 K N -0.886 119.567 120.400 0.089 0.000 2.501 749 K HA 0.281 4.604 4.320 0.006 0.000 0.204 749 K C 0.122 176.778 176.600 0.092 0.000 1.067 749 K CA -0.229 56.107 56.287 0.081 0.000 1.060 749 K CB 0.471 33.015 32.500 0.074 0.000 0.873 749 K HN -0.151 nan 8.250 nan 0.000 0.540 750 K N 1.530 121.991 120.400 0.100 0.000 2.826 750 K HA 0.287 4.611 4.320 0.006 0.000 0.206 750 K C -0.610 176.036 176.600 0.077 0.000 1.116 750 K CA -0.456 55.891 56.287 0.100 0.000 1.045 750 K CB 0.753 33.331 32.500 0.130 0.000 0.758 750 K HN 0.096 nan 8.250 nan 0.000 0.465 751 R N 0.110 120.654 120.500 0.075 0.000 3.627 751 R HA -0.165 4.178 4.340 0.006 0.000 0.281 751 R C 0.421 176.761 176.300 0.067 0.000 1.140 751 R CA 0.581 56.723 56.100 0.069 0.000 0.761 751 R CB -2.068 28.271 30.300 0.066 0.000 1.181 751 R HN 0.455 nan 8.270 nan 0.000 0.472 752 G N 0.715 109.555 108.800 0.067 0.000 2.527 752 G HA2 0.207 4.171 3.960 0.006 0.000 0.248 752 G HA3 0.207 4.171 3.960 0.006 0.000 0.248 752 G C -0.364 174.585 174.900 0.082 0.000 1.231 752 G CA -0.280 44.855 45.100 0.059 0.000 0.838 752 G HN 0.229 nan 8.290 nan 0.000 0.570 753 Q N 1.205 121.062 119.800 0.094 0.000 2.294 753 Q HA 0.398 4.742 4.340 0.006 0.000 0.264 753 Q C -0.891 175.148 176.000 0.066 0.000 0.992 753 Q CA -0.691 55.181 55.803 0.116 0.000 0.747 753 Q CB 1.791 30.640 28.738 0.187 0.000 1.262 753 Q HN 0.381 nan 8.270 nan 0.000 0.452 754 V N 4.670 124.619 119.914 0.059 0.000 2.529 754 V HA -0.011 4.113 4.120 0.006 0.000 0.292 754 V C 1.079 177.168 176.094 -0.009 0.000 1.028 754 V CA 0.147 62.461 62.300 0.023 0.000 1.074 754 V CB 0.931 32.830 31.823 0.127 0.000 0.958 754 V HN 0.801 nan 8.190 nan 0.000 0.481 755 V N 3.521 123.372 119.914 -0.106 0.000 2.426 755 V HA 0.082 4.206 4.120 0.006 0.000 0.242 755 V C 0.853 176.920 176.094 -0.046 0.000 1.036 755 V CA 1.610 63.835 62.300 -0.125 0.000 1.044 755 V CB 0.505 32.149 31.823 -0.298 0.000 0.688 755 V HN 1.041 nan 8.190 nan 0.000 0.462 756 S N -1.035 114.643 115.700 -0.035 0.000 2.567 756 S HA 0.520 4.994 4.470 0.006 0.000 0.270 756 S C -1.101 173.523 174.600 0.040 0.000 1.152 756 S CA -0.741 57.465 58.200 0.011 0.000 0.835 756 S CB 2.462 65.662 63.200 0.000 0.000 1.115 756 S HN 0.315 nan 8.310 nan 0.000 0.459 757 E N 0.656 120.906 120.200 0.084 0.000 2.580 757 E HA 0.298 4.652 4.350 0.006 0.000 0.248 757 E C -1.053 175.656 176.600 0.181 0.000 1.018 757 E CA -0.116 56.366 56.400 0.136 0.000 0.775 757 E CB 0.957 30.758 29.700 0.168 0.000 1.378 757 E HN 0.691 nan 8.360 nan 0.000 0.401 758 E N 3.348 123.652 120.200 0.173 0.000 2.222 758 E HA 0.202 4.556 4.350 0.006 0.000 0.272 758 E C -1.001 175.711 176.600 0.187 0.000 0.982 758 E CA -0.574 55.917 56.400 0.152 0.000 0.842 758 E CB 1.557 31.301 29.700 0.073 0.000 1.144 758 E HN 0.442 nan 8.360 nan 0.000 0.397 759 Q N 3.537 123.374 119.800 0.062 0.000 2.337 759 Q HA 0.256 4.600 4.340 0.006 0.000 0.266 759 Q C -0.884 175.012 176.000 -0.174 0.000 1.023 759 Q CA -0.867 54.800 55.803 -0.227 0.000 0.829 759 Q CB 1.481 29.982 28.738 -0.396 0.000 1.306 759 Q HN 0.530 nan 8.270 nan 0.000 0.449 760 R N 4.658 125.036 120.500 -0.203 0.000 2.489 760 R HA 0.082 4.425 4.340 0.006 0.000 0.287 760 R C -1.821 174.406 176.300 -0.122 0.000 1.053 760 R CA -1.006 55.025 56.100 -0.115 0.000 1.036 760 R CB 0.450 30.704 30.300 -0.075 0.000 0.966 760 R HN 0.535 nan 8.270 nan 0.000 0.432 761 P HA -0.242 nan 4.420 nan 0.000 0.205 761 P C 0.840 178.093 177.300 -0.079 0.000 1.046 761 P CA 2.070 65.130 63.100 -0.066 0.000 0.968 761 P CB -0.083 31.591 31.700 -0.043 0.000 0.753 762 G N -1.734 107.024 108.800 -0.071 0.000 2.404 762 G HA2 -0.103 3.861 3.960 0.006 0.000 0.214 762 G HA3 -0.103 3.861 3.960 0.006 0.000 0.214 762 G C 0.555 175.389 174.900 -0.110 0.000 1.189 762 G CA 1.350 46.402 45.100 -0.080 0.000 0.789 762 G HN 0.537 nan 8.290 nan 0.000 0.533 763 T N -0.265 114.222 114.554 -0.112 0.000 2.734 763 T HA 0.301 4.655 4.350 0.006 0.000 0.314 763 T C -1.723 172.883 174.700 -0.157 0.000 1.057 763 T CA -0.646 61.364 62.100 -0.149 0.000 1.047 763 T CB 1.515 70.373 68.868 -0.016 0.000 0.991 763 T HN 0.096 nan 8.240 nan 0.000 0.540 764 P HA 0.300 nan 4.420 nan 0.000 0.248 764 P C -0.555 176.726 177.300 -0.032 0.000 1.708 764 P CA -0.441 62.594 63.100 -0.108 0.000 1.062 764 P CB -0.200 31.485 31.700 -0.026 0.000 1.562 765 L N 0.710 121.915 121.223 -0.030 0.000 2.275 765 L HA 0.500 4.844 4.340 0.006 0.000 0.288 765 L C -0.708 176.054 176.870 -0.179 0.000 1.046 765 L CA -0.514 54.345 54.840 0.031 0.000 0.805 765 L CB 0.166 42.289 42.059 0.108 0.000 1.193 765 L HN -0.203 nan 8.230 nan 0.000 0.426 766 F N 2.293 122.283 119.950 0.068 0.000 2.470 766 F HA 0.558 5.088 4.527 0.005 0.000 0.329 766 F C 0.586 176.405 175.800 0.032 0.000 1.072 766 F CA -0.430 57.601 58.000 0.052 0.000 0.989 766 F CB 2.045 41.082 39.000 0.063 0.000 1.193 766 F HN 0.306 nan 8.300 nan 0.000 0.481 767 T N 2.506 117.197 114.554 0.228 0.000 2.977 767 T HA 0.411 4.765 4.350 0.006 0.000 0.346 767 T C -0.749 174.008 174.700 0.095 0.000 1.140 767 T CA -0.474 61.699 62.100 0.120 0.000 1.040 767 T CB 0.540 69.448 68.868 0.067 0.000 1.046 767 T HN 0.203 nan 8.240 nan 0.000 0.494 768 V N 4.661 124.602 119.914 0.044 0.000 2.432 768 V HA 0.414 4.538 4.120 0.006 0.000 0.275 768 V C 0.277 176.330 176.094 -0.070 0.000 1.043 768 V CA -0.600 61.679 62.300 -0.034 0.000 0.925 768 V CB 1.107 32.833 31.823 -0.163 0.000 0.985 768 V HN 0.650 nan 8.190 nan 0.000 0.466 769 K N 3.281 123.631 120.400 -0.084 0.000 2.270 769 K HA 0.879 5.203 4.320 0.006 0.000 0.255 769 K C -0.577 175.911 176.600 -0.187 0.000 0.936 769 K CA -0.435 55.771 56.287 -0.135 0.000 0.809 769 K CB 2.288 34.706 32.500 -0.135 0.000 1.131 769 K HN 0.845 nan 8.250 nan 0.000 0.427 770 A N 2.121 124.800 122.820 -0.235 0.000 2.604 770 A HA 0.520 4.844 4.320 0.006 0.000 0.295 770 A C -1.962 175.467 177.584 -0.259 0.000 1.067 770 A CA -0.766 51.129 52.037 -0.236 0.000 0.683 770 A CB 0.655 19.578 19.000 -0.127 0.000 1.281 770 A HN 0.546 nan 8.150 nan 0.000 0.407 771 Y N 0.153 120.436 120.300 -0.028 0.000 2.308 771 Y HA 0.583 5.137 4.550 0.007 0.000 0.329 771 Y C -0.038 175.818 175.900 -0.073 0.000 1.111 771 Y CA -0.488 57.589 58.100 -0.038 0.000 1.179 771 Y CB 1.583 40.063 38.460 0.033 0.000 1.201 771 Y HN 0.560 nan 8.280 nan 0.000 0.483 772 L N 6.848 128.111 121.223 0.066 0.000 2.446 772 L HA 0.612 4.956 4.340 0.006 0.000 0.268 772 L C -2.889 173.951 176.870 -0.049 0.000 0.975 772 L CA -2.452 52.368 54.840 -0.034 0.000 0.848 772 L CB 1.734 43.676 42.059 -0.196 0.000 1.225 772 L HN 0.288 nan 8.230 nan 0.000 0.410 773 P HA 0.007 nan 4.420 nan 0.000 0.262 773 P C 0.993 178.219 177.300 -0.124 0.000 1.182 773 P CA 0.050 63.082 63.100 -0.113 0.000 0.761 773 P CB 0.709 32.396 31.700 -0.021 0.000 0.795 774 V N 2.826 122.553 119.914 -0.311 0.000 2.490 774 V HA -0.255 3.869 4.120 0.006 0.000 0.250 774 V C 1.868 177.906 176.094 -0.094 0.000 1.061 774 V CA 2.334 64.433 62.300 -0.335 0.000 1.064 774 V CB -1.307 30.118 31.823 -0.665 0.000 0.670 774 V HN 0.661 nan 8.190 nan 0.000 0.461 775 N N 0.069 118.770 118.700 0.001 0.000 2.521 775 N HA -0.112 4.632 4.740 0.006 0.000 0.188 775 N C 1.142 176.794 175.510 0.236 0.000 1.146 775 N CA 0.740 53.913 53.050 0.205 0.000 0.893 775 N CB -0.184 38.445 38.487 0.236 0.000 0.975 775 N HN 0.464 nan 8.380 nan 0.000 0.451 776 E N -0.616 119.664 120.200 0.134 0.000 2.562 776 E HA 0.087 4.441 4.350 0.006 0.000 0.214 776 E C 0.435 177.105 176.600 0.118 0.000 0.979 776 E CA 0.194 56.675 56.400 0.136 0.000 1.002 776 E CB 0.486 30.237 29.700 0.085 0.000 1.048 776 E HN 0.529 nan 8.360 nan 0.000 0.488 777 S N -0.535 115.199 115.700 0.057 0.000 2.540 777 S HA 0.173 4.647 4.470 0.006 0.000 0.218 777 S C 0.528 175.129 174.600 0.001 0.000 0.977 777 S CA -0.526 57.661 58.200 -0.021 0.000 0.918 777 S CB -0.460 62.709 63.200 -0.052 0.000 0.806 777 S HN -0.018 nan 8.310 nan 0.000 0.496 778 F N 3.066 123.090 119.950 0.124 0.000 2.494 778 F HA 0.471 5.002 4.527 0.006 0.000 0.369 778 F C 1.662 177.522 175.800 0.100 0.000 1.098 778 F CA 0.908 58.968 58.000 0.101 0.000 1.154 778 F CB 0.254 39.303 39.000 0.082 0.000 1.103 778 F HN 0.362 nan 8.300 nan 0.000 0.549 779 G N 3.364 112.303 108.800 0.232 0.000 2.147 779 G HA2 -0.380 3.584 3.960 0.006 0.000 0.244 779 G HA3 -0.380 3.584 3.960 0.006 0.000 0.244 779 G C 0.647 175.620 174.900 0.122 0.000 1.005 779 G CA 0.267 45.453 45.100 0.144 0.000 0.713 779 G HN 0.657 nan 8.290 nan 0.000 0.515 780 F N 1.906 121.848 119.950 -0.013 0.000 2.098 780 F HA -0.038 4.493 4.527 0.008 0.000 0.294 780 F C 2.828 178.591 175.800 -0.061 0.000 1.107 780 F CA 2.851 60.828 58.000 -0.039 0.000 1.234 780 F CB -0.582 38.373 39.000 -0.075 0.000 1.002 780 F HN 0.330 nan 8.300 nan 0.000 0.472 781 T N -1.957 112.527 114.554 -0.117 0.000 2.803 781 T HA -0.077 4.277 4.350 0.006 0.000 0.269 781 T C 2.260 176.836 174.700 -0.206 0.000 1.052 781 T CA 1.169 63.133 62.100 -0.226 0.000 1.136 781 T CB -1.530 67.270 68.868 -0.113 0.000 0.864 781 T HN 0.337 nan 8.240 nan 0.000 0.467 782 G N 1.344 110.066 108.800 -0.129 0.000 2.404 782 G HA2 -0.120 3.844 3.960 0.006 0.000 0.215 782 G HA3 -0.120 3.844 3.960 0.006 0.000 0.215 782 G C 1.551 176.382 174.900 -0.116 0.000 1.174 782 G CA 0.674 45.721 45.100 -0.089 0.000 0.780 782 G HN 0.637 nan 8.290 nan 0.000 0.537 783 E N -0.213 119.895 120.200 -0.153 0.000 2.072 783 E HA -0.047 4.307 4.350 0.006 0.000 0.190 783 E C 2.396 178.862 176.600 -0.223 0.000 0.982 783 E CA 0.570 56.880 56.400 -0.151 0.000 0.803 783 E CB -0.195 29.435 29.700 -0.117 0.000 0.755 783 E HN 0.308 nan 8.360 nan 0.000 0.453 784 L N 1.493 122.468 121.223 -0.414 0.000 2.079 784 L HA -0.175 4.169 4.340 0.006 0.000 0.210 784 L C 2.364 179.100 176.870 -0.223 0.000 1.081 784 L CA 1.587 56.181 54.840 -0.411 0.000 0.752 784 L CB -0.279 41.363 42.059 -0.695 0.000 0.896 784 L HN -0.094 nan 8.230 nan 0.000 0.433 785 R N -0.414 119.975 120.500 -0.184 0.000 2.083 785 R HA -0.228 4.116 4.340 0.006 0.000 0.237 785 R C 2.433 178.694 176.300 -0.064 0.000 1.137 785 R CA 2.199 58.242 56.100 -0.096 0.000 0.951 785 R CB -0.584 29.677 30.300 -0.064 0.000 0.851 785 R HN 0.657 nan 8.270 nan 0.000 0.434 786 Q N -0.860 118.901 119.800 -0.066 0.000 2.046 786 Q HA -0.077 4.267 4.340 0.006 0.000 0.200 786 Q C 1.770 177.747 176.000 -0.037 0.000 0.975 786 Q CA 1.692 57.471 55.803 -0.040 0.000 0.836 786 Q CB -0.247 28.471 28.738 -0.034 0.000 0.896 786 Q HN 0.438 nan 8.270 nan 0.000 0.428 787 A N 0.049 122.836 122.820 -0.056 0.000 2.178 787 A HA -0.104 4.220 4.320 0.006 0.000 0.218 787 A C 1.770 179.337 177.584 -0.029 0.000 1.157 787 A CA 1.640 53.653 52.037 -0.041 0.000 0.689 787 A CB -0.374 18.593 19.000 -0.056 0.000 0.787 787 A HN 0.603 nan 8.150 nan 0.000 0.465 788 T N -6.130 108.403 114.554 -0.035 0.000 3.091 788 T HA 0.436 4.790 4.350 0.006 0.000 0.277 788 T C 1.197 175.894 174.700 -0.004 0.000 0.996 788 T CA 0.967 63.057 62.100 -0.016 0.000 0.897 788 T CB 0.148 69.002 68.868 -0.024 0.000 1.109 788 T HN 1.606 nan 8.240 nan 0.000 0.534 789 G N 1.130 109.926 108.800 -0.007 0.000 2.168 789 G HA2 0.096 4.059 3.960 0.006 0.000 0.257 789 G HA3 0.096 4.059 3.960 0.006 0.000 0.257 789 G C 1.153 176.054 174.900 0.002 0.000 0.997 789 G CA 0.457 45.558 45.100 0.001 0.000 0.708 789 G HN 1.874 nan 8.290 nan 0.000 0.520 790 G N -1.563 107.233 108.800 -0.006 0.000 2.143 790 G HA2 -0.286 3.678 3.960 0.006 0.000 0.249 790 G HA3 -0.286 3.678 3.960 0.006 0.000 0.249 790 G C 0.823 175.728 174.900 0.009 0.000 0.981 790 G CA 1.196 46.297 45.100 0.001 0.000 0.665 790 G HN 0.901 nan 8.290 nan 0.000 0.528 791 Q N -0.434 119.371 119.800 0.008 0.000 2.408 791 Q HA 0.457 4.801 4.340 0.006 0.000 0.205 791 Q C 1.557 177.574 176.000 0.028 0.000 0.919 791 Q CA 0.625 56.435 55.803 0.012 0.000 0.932 791 Q CB 0.524 29.274 28.738 0.019 0.000 1.058 791 Q HN 0.818 nan 8.270 nan 0.000 0.517 792 A N 0.900 123.734 122.820 0.025 0.000 2.354 792 A HA 0.335 4.658 4.320 0.006 0.000 0.269 792 A C -0.966 176.680 177.584 0.104 0.000 1.109 792 A CA -0.127 51.933 52.037 0.038 0.000 0.800 792 A CB 0.123 19.108 19.000 -0.025 0.000 1.045 792 A HN 0.260 nan 8.150 nan 0.000 0.489 793 F N 4.380 124.297 119.950 -0.056 0.000 2.434 793 F HA 0.502 5.033 4.527 0.006 0.000 0.367 793 F C -2.558 173.217 175.800 -0.043 0.000 1.093 793 F CA -2.724 55.243 58.000 -0.055 0.000 1.085 793 F CB 1.817 40.779 39.000 -0.063 0.000 1.322 793 F HN 0.277 nan 8.300 nan 0.000 0.452 794 P HA 0.317 nan 4.420 nan 0.000 0.284 794 P C -1.575 175.482 177.300 -0.407 0.000 1.253 794 P CA -0.298 62.645 63.100 -0.261 0.000 0.800 794 P CB 1.072 32.690 31.700 -0.137 0.000 0.961 795 Q N 2.028 121.668 119.800 -0.266 0.000 2.275 795 Q HA 0.480 4.824 4.340 0.006 0.000 0.258 795 Q C -0.900 174.951 176.000 -0.249 0.000 0.960 795 Q CA -0.398 55.241 55.803 -0.273 0.000 0.801 795 Q CB 1.843 30.449 28.738 -0.219 0.000 1.302 795 Q HN 0.496 nan 8.270 nan 0.000 0.433 796 M N 0.434 119.844 119.600 -0.318 0.000 2.393 796 M HA 0.817 5.301 4.480 0.006 0.000 0.299 796 M C -1.462 174.659 176.300 -0.299 0.000 1.103 796 M CA -1.132 53.950 55.300 -0.364 0.000 0.910 796 M CB 2.255 34.476 32.600 -0.631 0.000 1.659 796 M HN 0.314 nan 8.290 nan 0.000 0.445 797 V N 3.411 123.269 119.914 -0.093 0.000 2.876 797 V HA 0.592 4.715 4.120 0.006 0.000 0.312 797 V C -1.272 174.992 176.094 0.282 0.000 1.085 797 V CA -0.699 61.643 62.300 0.069 0.000 0.945 797 V CB 2.327 34.142 31.823 -0.014 0.000 1.017 797 V HN 0.836 nan 8.190 nan 0.000 0.428 798 F N 4.535 124.593 119.950 0.180 0.000 2.608 798 F HA 0.211 4.742 4.527 0.006 0.000 0.380 798 F C 0.784 176.536 175.800 -0.080 0.000 1.083 798 F CA 1.192 59.158 58.000 -0.056 0.000 1.266 798 F CB 1.003 39.880 39.000 -0.205 0.000 1.076 798 F HN 0.842 nan 8.300 nan 0.000 0.574 799 D N 2.621 122.427 120.400 -0.989 0.000 2.995 799 D HA 0.068 4.712 4.640 0.006 0.000 0.289 799 D C -0.417 175.395 176.300 -0.812 0.000 1.116 799 D CA 0.724 54.364 54.000 -0.599 0.000 0.994 799 D CB 0.261 40.977 40.800 -0.140 0.000 1.209 799 D HN 0.669 nan 8.370 nan 0.000 0.458 800 H N -2.832 115.518 119.070 -1.199 0.000 3.014 800 H HA 0.260 4.820 4.556 0.006 0.000 0.337 800 H C -1.532 173.415 175.328 -0.635 0.000 1.320 800 H CA -1.071 54.541 56.048 -0.728 0.000 1.128 800 H CB -0.272 29.267 29.762 -0.372 0.000 1.862 800 H HN 0.023 nan 8.280 nan 0.000 0.536 801 W N 0.857 122.201 121.300 0.072 0.000 2.381 801 W HA 0.511 5.175 4.660 0.007 0.000 0.329 801 W C 0.336 176.949 176.519 0.156 0.000 1.157 801 W CA -0.608 56.816 57.345 0.132 0.000 1.240 801 W CB 1.816 31.392 29.460 0.194 0.000 1.199 801 W HN 0.514 nan 8.180 nan 0.000 0.579 802 S N 1.476 117.390 115.700 0.357 0.000 2.605 802 S HA 0.402 4.876 4.470 0.006 0.000 0.308 802 S C -0.555 174.182 174.600 0.229 0.000 1.113 802 S CA -0.609 57.740 58.200 0.249 0.000 1.049 802 S CB 0.531 63.830 63.200 0.167 0.000 1.001 802 S HN 0.319 nan 8.310 nan 0.000 0.480 803 T N 6.241 120.901 114.554 0.177 0.000 2.752 803 T HA 0.270 4.624 4.350 0.006 0.000 0.295 803 T C 0.326 175.097 174.700 0.117 0.000 0.923 803 T CA -0.163 62.025 62.100 0.147 0.000 1.112 803 T CB -0.116 68.816 68.868 0.105 0.000 0.884 803 T HN 0.538 nan 8.240 nan 0.000 0.525 804 L N 2.912 124.210 121.223 0.125 0.000 2.456 804 L HA 0.211 4.555 4.340 0.006 0.000 0.272 804 L C 1.864 178.770 176.870 0.061 0.000 1.189 804 L CA -0.272 54.623 54.840 0.092 0.000 0.846 804 L CB 0.279 42.392 42.059 0.090 0.000 1.111 804 L HN 0.829 nan 8.230 nan 0.000 0.475 805 G N 1.721 110.549 108.800 0.047 0.000 2.394 805 G HA2 -0.145 3.818 3.960 0.006 0.000 0.215 805 G HA3 -0.145 3.818 3.960 0.006 0.000 0.215 805 G C 0.867 175.780 174.900 0.022 0.000 1.165 805 G CA 0.442 45.561 45.100 0.032 0.000 0.784 805 G HN 0.693 nan 8.290 nan 0.000 0.535 806 S N 0.342 116.054 115.700 0.019 0.000 2.572 806 S HA 0.158 4.632 4.470 0.006 0.000 0.267 806 S C -0.296 174.305 174.600 0.001 0.000 1.361 806 S CA -0.299 57.905 58.200 0.007 0.000 1.009 806 S CB 1.227 64.429 63.200 0.002 0.000 0.888 806 S HN 0.186 nan 8.310 nan 0.000 0.553 807 D N 1.385 121.782 120.400 -0.005 0.000 2.316 807 D HA 0.304 4.948 4.640 0.006 0.000 0.245 807 D C -1.168 175.117 176.300 -0.025 0.000 1.171 807 D CA -2.473 51.523 54.000 -0.007 0.000 0.856 807 D CB 1.155 41.954 40.800 -0.002 0.000 1.090 807 D HN 0.221 nan 8.370 nan 0.000 0.476 808 P HA -0.112 nan 4.420 nan 0.000 0.222 808 P C 1.341 178.600 177.300 -0.068 0.000 1.147 808 P CA 0.743 63.796 63.100 -0.079 0.000 0.790 808 P CB 0.344 32.010 31.700 -0.057 0.000 0.780 809 L N -0.837 120.374 121.223 -0.020 0.000 2.492 809 L HA 0.098 4.442 4.340 0.006 0.000 0.223 809 L C 0.962 177.823 176.870 -0.014 0.000 1.132 809 L CA 0.281 55.118 54.840 -0.005 0.000 0.850 809 L CB -0.663 41.413 42.059 0.029 0.000 0.966 809 L HN -0.064 nan 8.230 nan 0.000 0.454 810 D N 0.580 120.967 120.400 -0.022 0.000 2.359 810 D HA 0.157 4.800 4.640 0.006 0.000 0.230 810 D C -1.739 174.540 176.300 -0.035 0.000 1.118 810 D CA -2.314 51.673 54.000 -0.021 0.000 0.844 810 D CB 1.609 42.400 40.800 -0.014 0.000 1.059 810 D HN -0.177 nan 8.370 nan 0.000 0.493 811 P HA -0.110 nan 4.420 nan 0.000 0.221 811 P C 1.053 178.333 177.300 -0.033 0.000 1.145 811 P CA 1.278 64.356 63.100 -0.038 0.000 0.795 811 P CB 0.155 31.840 31.700 -0.026 0.000 0.775 812 T N -4.744 109.796 114.554 -0.024 0.000 3.044 812 T HA 0.050 4.404 4.350 0.006 0.000 0.255 812 T C 1.117 175.807 174.700 -0.018 0.000 1.073 812 T CA 0.149 62.238 62.100 -0.018 0.000 1.125 812 T CB -0.918 67.944 68.868 -0.010 0.000 0.908 812 T HN 0.153 nan 8.240 nan 0.000 0.480 813 S N 1.331 117.018 115.700 -0.021 0.000 2.587 813 S HA 0.227 4.701 4.470 0.006 0.000 0.260 813 S C 1.266 175.850 174.600 -0.026 0.000 1.353 813 S CA -0.769 57.419 58.200 -0.018 0.000 0.995 813 S CB 0.738 63.926 63.200 -0.019 0.000 0.912 813 S HN 0.083 nan 8.310 nan 0.000 0.568 814 K N 1.301 121.692 120.400 -0.015 0.000 2.026 814 K HA -0.060 4.264 4.320 0.006 0.000 0.208 814 K C 2.509 179.081 176.600 -0.047 0.000 1.048 814 K CA 1.732 58.011 56.287 -0.014 0.000 0.929 814 K CB -1.481 31.026 32.500 0.012 0.000 0.713 814 K HN 0.804 nan 8.250 nan 0.000 0.439 815 A N 0.737 123.524 122.820 -0.055 0.000 1.933 815 A HA -0.075 4.248 4.320 0.006 0.000 0.218 815 A C 2.450 179.922 177.584 -0.186 0.000 1.175 815 A CA 2.102 54.071 52.037 -0.114 0.000 0.628 815 A CB -0.973 17.983 19.000 -0.074 0.000 0.814 815 A HN 0.401 nan 8.150 nan 0.000 0.444 816 G N -0.649 108.074 108.800 -0.128 0.000 2.421 816 G HA2 -0.194 3.770 3.960 0.006 0.000 0.217 816 G HA3 -0.194 3.770 3.960 0.006 0.000 0.217 816 G C 1.432 176.252 174.900 -0.133 0.000 1.143 816 G CA 0.999 46.018 45.100 -0.135 0.000 0.784 816 G HN 0.678 nan 8.290 nan 0.000 0.541 817 E N 0.199 120.339 120.200 -0.100 0.000 2.077 817 E HA -0.112 4.241 4.350 0.006 0.000 0.193 817 E C 2.402 178.938 176.600 -0.106 0.000 0.989 817 E CA 0.769 57.123 56.400 -0.077 0.000 0.800 817 E CB -0.195 29.479 29.700 -0.043 0.000 0.746 817 E HN 0.522 nan 8.360 nan 0.000 0.452 818 I N 0.414 120.885 120.570 -0.165 0.000 2.179 818 I HA -0.249 3.925 4.170 0.006 0.000 0.242 818 I C 2.414 178.343 176.117 -0.313 0.000 1.088 818 I CA 0.673 61.834 61.300 -0.233 0.000 1.357 818 I CB -0.250 37.521 38.000 -0.382 0.000 1.051 818 I HN 0.068 nan 8.210 nan 0.000 0.409 819 V N 0.886 120.521 119.914 -0.465 0.000 2.255 819 V HA -0.295 3.828 4.120 0.006 0.000 0.247 819 V C 2.448 178.430 176.094 -0.187 0.000 1.051 819 V CA 1.913 63.883 62.300 -0.551 0.000 1.018 819 V CB -0.639 30.863 31.823 -0.535 0.000 0.641 819 V HN 0.356 nan 8.190 nan 0.000 0.445 820 L N 0.946 122.093 121.223 -0.126 0.000 1.990 820 L HA -0.166 4.178 4.340 0.006 0.000 0.213 820 L C 2.481 179.345 176.870 -0.010 0.000 1.072 820 L CA 2.574 57.386 54.840 -0.047 0.000 0.755 820 L CB -1.126 40.907 42.059 -0.044 0.000 0.889 820 L HN 0.242 nan 8.230 nan 0.000 0.432 821 A N -0.510 122.299 122.820 -0.020 0.000 1.892 821 A HA -0.204 4.120 4.320 0.006 0.000 0.218 821 A C 2.450 180.059 177.584 0.041 0.000 1.188 821 A CA 2.438 54.477 52.037 0.004 0.000 0.631 821 A CB -1.337 17.662 19.000 -0.001 0.000 0.822 821 A HN 0.648 nan 8.150 nan 0.000 0.447 822 A N -0.557 122.320 122.820 0.095 0.000 1.873 822 A HA -0.128 4.196 4.320 0.006 0.000 0.215 822 A C 2.250 180.022 177.584 0.314 0.000 1.186 822 A CA 1.447 53.624 52.037 0.233 0.000 0.616 822 A CB -0.460 18.829 19.000 0.481 0.000 0.823 822 A HN 0.551 nan 8.150 nan 0.000 0.442 823 R N -0.132 120.516 120.500 0.245 0.000 2.081 823 R HA -0.120 4.224 4.340 0.006 0.000 0.235 823 R C 2.236 178.623 176.300 0.145 0.000 1.131 823 R CA 1.663 57.892 56.100 0.215 0.000 0.960 823 R CB -0.308 30.065 30.300 0.122 0.000 0.856 823 R HN 0.508 nan 8.270 nan 0.000 0.436 824 K N 0.361 120.809 120.400 0.079 0.000 2.009 824 K HA -0.210 4.113 4.320 0.006 0.000 0.210 824 K C 2.188 178.802 176.600 0.023 0.000 1.049 824 K CA 1.548 57.859 56.287 0.041 0.000 0.929 824 K CB -0.239 32.271 32.500 0.017 0.000 0.714 824 K HN 0.085 nan 8.250 nan 0.000 0.440 825 R N 0.764 121.255 120.500 -0.014 0.000 2.117 825 R HA -0.196 4.148 4.340 0.006 0.000 0.243 825 R C 1.545 177.749 176.300 -0.161 0.000 1.143 825 R CA 1.867 57.899 56.100 -0.115 0.000 0.968 825 R CB -0.202 29.980 30.300 -0.196 0.000 0.863 825 R HN 0.397 nan 8.270 nan 0.000 0.444 826 H N -1.735 117.358 119.070 0.039 0.000 2.548 826 H HA 0.226 4.786 4.556 0.006 0.000 0.265 826 H C 0.963 176.304 175.328 0.022 0.000 0.969 826 H CA 0.670 56.737 56.048 0.032 0.000 1.155 826 H CB 0.842 30.628 29.762 0.039 0.000 1.394 826 H HN 0.555 nan 8.280 nan 0.000 0.570 827 G N 0.533 109.396 108.800 0.106 0.000 2.147 827 G HA2 -0.313 3.651 3.960 0.006 0.000 0.244 827 G HA3 -0.313 3.651 3.960 0.006 0.000 0.244 827 G C 0.205 175.144 174.900 0.066 0.000 1.005 827 G CA 0.264 45.403 45.100 0.065 0.000 0.713 827 G HN 0.220 nan 8.290 nan 0.000 0.515 828 M N -0.570 119.083 119.600 0.087 0.000 2.197 828 M HA 0.367 4.851 4.480 0.006 0.000 0.305 828 M C 0.922 177.247 176.300 0.042 0.000 1.162 828 M CA -0.440 54.898 55.300 0.062 0.000 1.099 828 M CB 0.600 33.243 32.600 0.072 0.000 1.430 828 M HN 0.118 nan 8.290 nan 0.000 0.481 829 K N 1.250 121.666 120.400 0.026 0.000 2.416 829 K HA -0.021 4.303 4.320 0.006 0.000 0.283 829 K C 0.470 177.082 176.600 0.019 0.000 1.037 829 K CA 0.149 56.444 56.287 0.014 0.000 0.995 829 K CB 0.569 33.070 32.500 0.001 0.000 0.938 829 K HN 0.598 nan 8.250 nan 0.000 0.475 830 E N 2.502 122.710 120.200 0.014 0.000 2.065 830 E HA -0.225 4.129 4.350 0.006 0.000 0.201 830 E C 0.019 176.623 176.600 0.007 0.000 1.016 830 E CA 1.456 57.863 56.400 0.012 0.000 0.818 830 E CB -0.036 29.666 29.700 0.003 0.000 0.749 830 E HN 0.676 nan 8.360 nan 0.000 0.453 831 E N 1.881 122.081 120.200 0.001 0.000 2.360 831 E HA 0.120 4.474 4.350 0.006 0.000 0.269 831 E C -0.115 176.489 176.600 0.008 0.000 1.022 831 E CA -0.207 56.192 56.400 -0.001 0.000 0.887 831 E CB 1.204 30.899 29.700 -0.008 0.000 0.990 831 E HN -0.155 nan 8.360 nan 0.000 0.426 832 V N 4.888 124.811 119.914 0.016 0.000 2.585 832 V HA 0.062 4.186 4.120 0.006 0.000 0.296 832 V C -1.515 174.605 176.094 0.045 0.000 1.035 832 V CA -1.066 61.258 62.300 0.039 0.000 1.084 832 V CB 0.005 31.859 31.823 0.050 0.000 0.953 832 V HN 0.710 nan 8.190 nan 0.000 0.483 833 P HA 0.136 nan 4.420 nan 0.000 0.267 833 P C 0.218 177.566 177.300 0.080 0.000 1.200 833 P CA 0.128 63.246 63.100 0.031 0.000 0.772 833 P CB 0.597 32.319 31.700 0.037 0.000 0.855 834 G N 1.920 110.718 108.800 -0.003 0.000 2.599 834 G HA2 0.132 4.095 3.960 0.006 0.000 0.264 834 G HA3 0.132 4.095 3.960 0.006 0.000 0.264 834 G C 1.037 175.981 174.900 0.074 0.000 1.200 834 G CA -0.761 44.343 45.100 0.007 0.000 0.896 834 G HN 0.736 nan 8.290 nan 0.000 0.536 835 W N -0.027 121.360 121.300 0.146 0.000 2.392 835 W HA -0.103 4.560 4.660 0.006 0.000 0.279 835 W C 1.394 178.034 176.519 0.201 0.000 1.225 835 W CA 0.770 58.253 57.345 0.230 0.000 1.233 835 W CB -0.567 29.002 29.460 0.181 0.000 1.122 835 W HN 0.518 nan 8.180 nan 0.000 0.561 836 Q N 1.256 120.627 119.800 -0.714 0.000 2.135 836 Q HA -0.176 4.167 4.340 0.006 0.000 0.204 836 Q C 2.126 177.994 176.000 -0.219 0.000 0.981 836 Q CA 2.283 57.689 55.803 -0.661 0.000 0.856 836 Q CB -0.606 27.642 28.738 -0.817 0.000 0.902 836 Q HN 0.412 nan 8.270 nan 0.000 0.425 837 E N -0.730 119.319 120.200 -0.251 0.000 2.097 837 E HA -0.205 4.149 4.350 0.006 0.000 0.196 837 E C 1.269 177.682 176.600 -0.311 0.000 1.000 837 E CA 1.280 57.469 56.400 -0.353 0.000 0.804 837 E CB -0.030 29.310 29.700 -0.601 0.000 0.740 837 E HN 0.546 nan 8.360 nan 0.000 0.454 838 Y N -1.931 118.452 120.300 0.137 0.000 2.509 838 Y HA 0.039 4.593 4.550 0.006 0.000 0.270 838 Y C 0.894 176.905 175.900 0.185 0.000 1.103 838 Y CA -0.444 57.760 58.100 0.174 0.000 1.278 838 Y CB 0.075 38.687 38.460 0.254 0.000 1.087 838 Y HN -0.002 nan 8.280 nan 0.000 0.542 839 Y N 2.157 122.600 120.300 0.237 0.000 2.459 839 Y HA -0.032 4.522 4.550 0.006 0.000 0.349 839 Y C 0.672 176.623 175.900 0.085 0.000 1.266 839 Y CA -0.712 57.511 58.100 0.206 0.000 1.483 839 Y CB 0.307 38.942 38.460 0.291 0.000 1.362 839 Y HN -0.016 nan 8.280 nan 0.000 0.628 840 D N 3.650 123.948 120.400 -0.171 0.000 2.487 840 D HA -0.048 4.595 4.640 0.006 0.000 0.243 840 D C -0.738 175.643 176.300 0.134 0.000 1.154 840 D CA 0.155 54.119 54.000 -0.060 0.000 0.876 840 D CB 0.459 41.145 40.800 -0.190 0.000 1.161 840 D HN 0.227 nan 8.370 nan 0.000 0.478 841 K N 5.174 125.610 120.400 0.060 0.000 2.237 841 K HA 0.203 4.527 4.320 0.006 0.000 0.283 841 K C 0.051 176.680 176.600 0.048 0.000 1.080 841 K CA -0.026 56.288 56.287 0.045 0.000 0.965 841 K CB -0.760 31.740 32.500 0.000 0.000 1.098 841 K HN 0.529 nan 8.250 nan 0.000 0.434 842 L N 0.000 121.269 121.223 0.077 0.000 2.949 842 L HA 0.000 4.344 4.340 0.006 0.000 0.249 842 L CA 0.000 54.879 54.840 0.065 0.000 0.813 842 L CB 0.000 42.105 42.059 0.076 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502