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 1gju_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLREINRYC KEKATGKRIY AVPKLWIPGF FKKFDEKSGR CFVDPYELGA DATA SEQUENCE EITDWILNQS REWDYSQPLS FLKGEKTPDW IKRSVVYGSL PRTTAAYNHK DATA SEQUENCE GSGYYEENDV LGFREAGTFF KMMLLLPFVK SLGADAIYLL PVSRMSDLFK DATA SEQUENCE KGDAPSPYSV KNPMELDERY HDPLLEPFKV DEEFKAFVEA CHILGIRVIL DATA SEQUENCE DFIPRTAARD SDLIREHPDW FYWIKVEELA DYTPPRAEEL PFKVPDEDEL DATA SEQUENCE EIIYNKENVK RHLKKFTLPP NLIDPQKWEK IKREEGNILE LIVKEFGIIT DATA SEQUENCE PPGFSDLIND PQPTWDDVTF LRLYLDHPEA SKRFLDPNQP PYVLYDVIKA DATA SEQUENCE SKFPGKEPNR ELWEYLAGVI PHYQKKYGID GARLDMGHAL PKELLDLIIK DATA SEQUENCE NVKEYDPAFV MIAEELDMEK DKASKEAGYD VILGSSWYFA GRVEEIGKLP DATA SEQUENCE DIAEELVLPF LASVETPDTP RIATRKYASK MKKLAPFVTY FLPNSIPYVN DATA SEQUENCE TGQEIGEKQP MNLGLDTDPN LRKVLSPTDE FFGKLAFFDH YVLHWDSPDR DATA SEQUENCE GVLNFIKKLI KVRHEFLDFV LNGKFENLTT KDLVMYSYEK NGQKIVIAAN DATA SEQUENCE VGKEPKEITG GRVWNGKWSD EEKVVLKPLE FALVVQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.375 176.300 0.125 0.000 1.140 1 M CA 0.000 55.364 55.300 0.107 0.000 0.988 1 M CB 0.000 32.666 32.600 0.110 0.000 1.302 2 L N 3.022 124.328 121.223 0.137 0.000 2.013 2 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 2 L C 1.938 178.883 176.870 0.124 0.000 1.073 2 L CA 1.484 56.427 54.840 0.172 0.000 0.753 2 L CB -0.538 41.626 42.059 0.174 0.000 0.890 2 L HN 0.759 nan 8.230 nan 0.000 0.432 3 L N 0.072 121.344 121.223 0.081 0.000 2.081 3 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 3 L C 2.680 179.593 176.870 0.072 0.000 1.080 3 L CA 1.796 56.666 54.840 0.050 0.000 0.754 3 L CB -0.584 41.485 42.059 0.016 0.000 0.893 3 L HN 0.129 nan 8.230 nan 0.000 0.433 4 R N -0.725 119.830 120.500 0.092 0.000 2.090 4 R HA -0.108 4.231 4.340 -0.001 0.000 0.228 4 R C 2.173 178.554 176.300 0.135 0.000 1.110 4 R CA 1.329 57.489 56.100 0.100 0.000 0.973 4 R CB -0.129 30.227 30.300 0.093 0.000 0.869 4 R HN 0.515 nan 8.270 nan 0.000 0.440 5 E N 0.260 120.566 120.200 0.176 0.000 2.085 5 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 5 E C 1.983 178.773 176.600 0.316 0.000 0.994 5 E CA 1.444 58.006 56.400 0.271 0.000 0.801 5 E CB -0.100 29.828 29.700 0.381 0.000 0.743 5 E HN 0.422 nan 8.360 nan 0.000 0.453 6 I N 1.741 122.392 120.570 0.135 0.000 2.315 6 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 6 I C 2.542 178.741 176.117 0.135 0.000 1.117 6 I CA 0.701 61.987 61.300 -0.022 0.000 1.404 6 I CB -0.369 37.511 38.000 -0.200 0.000 1.071 6 I HN 0.166 nan 8.210 nan 0.000 0.419 7 N N 1.469 120.247 118.700 0.131 0.000 2.043 7 N HA -0.258 4.481 4.740 -0.001 0.000 0.193 7 N C 2.134 177.726 175.510 0.138 0.000 1.037 7 N CA 1.547 54.676 53.050 0.130 0.000 0.851 7 N CB -0.100 38.450 38.487 0.104 0.000 1.027 7 N HN 0.272 nan 8.380 nan 0.000 0.422 8 R N -0.328 120.265 120.500 0.156 0.000 2.094 8 R HA -0.221 4.119 4.340 -0.001 0.000 0.239 8 R C 2.376 178.783 176.300 0.178 0.000 1.137 8 R CA 1.804 57.995 56.100 0.151 0.000 0.943 8 R CB -0.734 29.663 30.300 0.162 0.000 0.850 8 R HN 0.416 nan 8.270 nan 0.000 0.433 9 Y N 0.455 120.824 120.300 0.114 0.000 2.114 9 Y HA -0.379 4.171 4.550 -0.001 0.000 0.282 9 Y C 2.530 178.445 175.900 0.024 0.000 1.165 9 Y CA 1.785 59.944 58.100 0.097 0.000 1.148 9 Y CB -0.247 38.343 38.460 0.218 0.000 0.972 9 Y HN 0.232 nan 8.280 nan 0.000 0.504 10 C N 0.563 119.829 119.300 -0.056 0.000 2.425 10 C HA -0.166 4.294 4.460 -0.001 0.000 0.277 10 C C 2.534 177.475 174.990 -0.082 0.000 1.280 10 C CA 1.467 60.448 59.018 -0.061 0.000 1.744 10 C CB -0.981 26.859 27.740 0.167 0.000 1.989 10 C HN 0.536 nan 8.230 nan 0.000 0.491 11 K N 0.828 121.217 120.400 -0.018 0.000 2.097 11 K HA -0.137 4.182 4.320 -0.001 0.000 0.205 11 K C 1.906 178.468 176.600 -0.063 0.000 1.050 11 K CA 1.384 57.669 56.287 -0.004 0.000 0.938 11 K CB -0.174 32.346 32.500 0.034 0.000 0.718 11 K HN 0.620 nan 8.250 nan 0.000 0.442 12 E N 0.797 120.936 120.200 -0.102 0.000 2.051 12 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 12 E C 1.764 178.232 176.600 -0.221 0.000 0.991 12 E CA 0.943 57.276 56.400 -0.112 0.000 0.799 12 E CB 0.058 29.723 29.700 -0.059 0.000 0.748 12 E HN 0.116 nan 8.360 nan 0.000 0.449 13 K N 0.794 120.909 120.400 -0.475 0.000 2.288 13 K HA 0.098 4.417 4.320 -0.001 0.000 0.201 13 K C 0.909 177.283 176.600 -0.376 0.000 1.048 13 K CA 0.435 56.309 56.287 -0.688 0.000 0.956 13 K CB -0.341 31.119 32.500 -1.733 0.000 0.746 13 K HN 0.072 nan 8.250 nan 0.000 0.461 14 A N 1.715 124.439 122.820 -0.161 0.000 2.586 14 A HA 0.041 4.360 4.320 -0.001 0.000 0.231 14 A C 1.197 178.801 177.584 0.034 0.000 1.055 14 A CA 1.352 53.413 52.037 0.040 0.000 0.756 14 A CB 0.011 19.051 19.000 0.066 0.000 0.988 14 A HN 0.462 nan 8.150 nan 0.000 0.509 15 T N -2.277 112.331 114.554 0.090 0.000 3.092 15 T HA 0.444 4.794 4.350 -0.001 0.000 0.273 15 T C 1.292 176.040 174.700 0.079 0.000 0.898 15 T CA 1.042 63.185 62.100 0.071 0.000 0.868 15 T CB -0.163 68.753 68.868 0.080 0.000 1.228 15 T HN 2.583 nan 8.240 nan 0.000 0.555 16 G N 1.608 110.469 108.800 0.102 0.000 2.159 16 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.256 16 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.256 16 G C -0.074 174.887 174.900 0.102 0.000 0.977 16 G CA 0.241 45.398 45.100 0.094 0.000 0.652 16 G HN 0.786 nan 8.290 nan 0.000 0.531 17 K N 1.227 121.699 120.400 0.120 0.000 2.273 17 K HA 0.515 4.834 4.320 -0.001 0.000 0.287 17 K C 0.717 177.415 176.600 0.163 0.000 1.089 17 K CA -0.479 55.884 56.287 0.126 0.000 0.909 17 K CB 0.087 32.665 32.500 0.130 0.000 1.123 17 K HN 0.334 nan 8.250 nan 0.000 0.473 18 R N 5.541 126.138 120.500 0.161 0.000 2.408 18 R HA 0.232 4.571 4.340 -0.001 0.000 0.308 18 R C 0.507 176.960 176.300 0.256 0.000 1.210 18 R CA -0.015 56.220 56.100 0.224 0.000 1.115 18 R CB -0.168 30.270 30.300 0.230 0.000 1.127 18 R HN 0.709 nan 8.270 nan 0.000 0.523 19 I N -2.542 118.226 120.570 0.330 0.000 4.442 19 I HA 0.245 4.414 4.170 -0.001 0.000 0.331 19 I C -0.527 175.907 176.117 0.528 0.000 1.364 19 I CA -0.572 60.971 61.300 0.405 0.000 1.207 19 I CB 0.464 38.663 38.000 0.331 0.000 1.298 19 I HN 0.234 nan 8.210 nan 0.000 0.463 20 Y N 3.418 123.819 120.300 0.167 0.000 2.385 20 Y HA 0.756 5.305 4.550 -0.001 0.000 0.341 20 Y C 0.376 176.212 175.900 -0.107 0.000 0.965 20 Y CA -0.985 56.998 58.100 -0.195 0.000 1.180 20 Y CB 0.927 39.040 38.460 -0.577 0.000 1.139 20 Y HN 0.219 nan 8.280 nan 0.000 0.502 21 A N 5.970 128.638 122.820 -0.253 0.000 2.363 21 A HA 0.632 4.951 4.320 -0.001 0.000 0.270 21 A C -0.813 176.531 177.584 -0.400 0.000 1.121 21 A CA -0.005 51.746 52.037 -0.476 0.000 0.800 21 A CB 0.036 18.742 19.000 -0.490 0.000 1.052 21 A HN 1.020 nan 8.150 nan 0.000 0.493 22 V N -0.310 119.245 119.914 -0.599 0.000 3.049 22 V HA 0.798 4.918 4.120 -0.001 0.000 0.309 22 V C -2.994 172.340 176.094 -1.266 0.000 1.148 22 V CA -2.404 59.282 62.300 -1.023 0.000 0.990 22 V CB 2.090 33.612 31.823 -0.502 0.000 1.039 22 V HN 0.749 nan 8.190 nan 0.000 0.430 23 P HA 0.258 nan 4.420 nan 0.000 0.279 23 P C 0.082 176.924 177.300 -0.762 0.000 1.239 23 P CA -0.224 62.147 63.100 -1.215 0.000 0.789 23 P CB 1.740 32.626 31.700 -1.356 0.000 0.933 24 K N 2.843 122.960 120.400 -0.472 0.000 2.127 24 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 24 K C 1.795 178.222 176.600 -0.289 0.000 1.047 24 K CA 1.688 57.758 56.287 -0.361 0.000 0.927 24 K CB -1.252 31.115 32.500 -0.222 0.000 0.716 24 K HN 0.433 nan 8.250 nan 0.000 0.450 25 L N -0.964 120.124 121.223 -0.226 0.000 2.353 25 L HA -0.144 4.195 4.340 -0.001 0.000 0.220 25 L C 1.549 178.341 176.870 -0.129 0.000 1.133 25 L CA 0.474 55.255 54.840 -0.099 0.000 0.798 25 L CB -0.339 41.735 42.059 0.024 0.000 0.922 25 L HN 0.284 nan 8.230 nan 0.000 0.445 26 W N -0.305 120.647 121.300 -0.580 0.000 2.658 26 W HA 0.073 4.733 4.660 -0.001 0.000 0.263 26 W C 0.969 177.180 176.519 -0.514 0.000 1.274 26 W CA -0.682 56.284 57.345 -0.631 0.000 1.343 26 W CB -0.103 28.910 29.460 -0.745 0.000 1.106 26 W HN -0.164 nan 8.180 nan 0.000 0.615 27 I N 3.124 123.529 120.570 -0.276 0.000 2.421 27 I HA 0.089 4.259 4.170 -0.001 0.000 0.291 27 I C -1.817 174.106 176.117 -0.323 0.000 1.089 27 I CA -2.084 59.009 61.300 -0.345 0.000 1.354 27 I CB -0.701 37.020 38.000 -0.465 0.000 1.413 27 I HN -0.375 nan 8.210 nan 0.000 0.513 28 P HA 0.183 nan 4.420 nan 0.000 0.274 28 P C 1.192 178.170 177.300 -0.538 0.000 1.246 28 P CA -0.304 62.395 63.100 -0.669 0.000 0.795 28 P CB 0.767 31.662 31.700 -1.342 0.000 1.006 29 G N 0.751 109.277 108.800 -0.456 0.000 2.469 29 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.220 29 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.220 29 G C 1.040 175.900 174.900 -0.067 0.000 1.136 29 G CA 0.797 45.788 45.100 -0.182 0.000 0.759 29 G HN 0.603 nan 8.290 nan 0.000 0.562 30 F N -0.694 119.260 119.950 0.006 0.000 2.325 30 F HA 0.378 4.904 4.527 -0.001 0.000 0.299 30 F C 0.960 176.828 175.800 0.113 0.000 1.090 30 F CA -1.477 56.552 58.000 0.049 0.000 1.392 30 F CB -0.829 38.189 39.000 0.030 0.000 1.053 30 F HN -0.016 nan 8.300 nan 0.000 0.521 31 F N 2.963 122.949 119.950 0.061 0.000 2.467 31 F HA 0.313 4.840 4.527 -0.001 0.000 0.362 31 F C 0.957 176.893 175.800 0.227 0.000 1.090 31 F CA -0.620 57.481 58.000 0.168 0.000 1.202 31 F CB 0.639 39.669 39.000 0.050 0.000 1.113 31 F HN -0.163 nan 8.300 nan 0.000 0.541 32 K N 4.096 124.299 120.400 -0.329 0.000 2.464 32 K HA 0.101 4.420 4.320 -0.001 0.000 0.206 32 K C -0.047 176.267 176.600 -0.477 0.000 1.186 32 K CA 0.119 56.264 56.287 -0.236 0.000 0.990 32 K CB 0.353 32.743 32.500 -0.184 0.000 1.003 32 K HN 0.542 nan 8.250 nan 0.000 0.562 33 K N 2.044 121.953 120.400 -0.819 0.000 2.121 33 K HA 0.136 4.455 4.320 -0.001 0.000 0.235 33 K C -0.581 176.038 176.600 0.032 0.000 1.200 33 K CA -0.056 55.947 56.287 -0.475 0.000 1.115 33 K CB -0.625 31.609 32.500 -0.443 0.000 1.474 33 K HN -0.023 nan 8.250 nan 0.000 0.295 34 F N -1.994 117.978 119.950 0.035 0.000 2.678 34 F HA 0.451 4.978 4.527 -0.001 0.000 0.308 34 F C -1.353 174.523 175.800 0.127 0.000 1.118 34 F CA -1.538 56.570 58.000 0.180 0.000 0.959 34 F CB 1.244 40.407 39.000 0.271 0.000 1.305 34 F HN -0.086 nan 8.300 nan 0.000 0.443 35 D N 1.296 121.941 120.400 0.408 0.000 2.185 35 D HA 0.311 4.950 4.640 -0.001 0.000 0.247 35 D C -1.264 175.317 176.300 0.468 0.000 1.027 35 D CA -0.237 53.934 54.000 0.284 0.000 0.861 35 D CB 2.206 43.129 40.800 0.205 0.000 1.202 35 D HN 0.792 nan 8.370 nan 0.000 0.453 36 E N 1.539 121.942 120.200 0.339 0.000 2.141 36 E HA 0.307 4.657 4.350 -0.001 0.000 0.259 36 E C -1.099 175.642 176.600 0.235 0.000 0.883 36 E CA -0.670 55.927 56.400 0.329 0.000 0.744 36 E CB 0.603 30.494 29.700 0.319 0.000 1.150 36 E HN 0.163 nan 8.360 nan 0.000 0.420 37 K N 2.090 122.666 120.400 0.292 0.000 2.427 37 K HA 0.313 4.632 4.320 -0.001 0.000 0.252 37 K C -0.433 176.299 176.600 0.220 0.000 0.931 37 K CA -0.888 55.529 56.287 0.217 0.000 0.793 37 K CB 1.937 34.537 32.500 0.167 0.000 1.211 37 K HN 0.486 nan 8.250 nan 0.000 0.426 38 S N 1.199 116.979 115.700 0.133 0.000 3.549 38 S HA -0.252 4.217 4.470 -0.001 0.000 0.366 38 S C 1.022 175.671 174.600 0.082 0.000 1.012 38 S CA 0.971 59.232 58.200 0.101 0.000 1.141 38 S CB -1.571 61.695 63.200 0.110 0.000 0.910 38 S HN 1.215 nan 8.310 nan 0.000 0.471 39 G N 0.741 109.584 108.800 0.072 0.000 2.454 39 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.225 39 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.225 39 G C 0.058 174.961 174.900 0.006 0.000 1.138 39 G CA 0.293 45.414 45.100 0.036 0.000 0.667 39 G HN 1.029 nan 8.290 nan 0.000 0.512 40 R N -0.073 120.429 120.500 0.003 0.000 2.700 40 R HA 0.777 5.117 4.340 -0.001 0.000 0.253 40 R C -0.530 175.702 176.300 -0.114 0.000 1.091 40 R CA -0.203 55.824 56.100 -0.122 0.000 1.104 40 R CB 0.821 30.996 30.300 -0.208 0.000 1.202 40 R HN 0.257 nan 8.270 nan 0.000 0.532 41 C N 0.409 119.532 119.300 -0.295 0.000 2.493 41 C HA 0.644 5.104 4.460 -0.001 0.000 0.326 41 C C -0.981 173.819 174.990 -0.316 0.000 1.200 41 C CA -0.617 58.315 59.018 -0.143 0.000 1.739 41 C CB 0.422 28.010 27.740 -0.254 0.000 2.300 41 C HN 0.632 nan 8.230 nan 0.000 0.500 42 F N 1.801 121.827 119.950 0.125 0.000 2.508 42 F HA 0.760 5.286 4.527 -0.001 0.000 0.325 42 F C 0.388 176.313 175.800 0.210 0.000 1.090 42 F CA -0.555 57.527 58.000 0.137 0.000 0.945 42 F CB 1.585 40.662 39.000 0.129 0.000 1.156 42 F HN 0.536 nan 8.300 nan 0.000 0.463 43 V N -1.570 118.555 119.914 0.351 0.000 3.202 43 V HA 0.614 4.733 4.120 -0.001 0.000 0.306 43 V C -1.688 174.531 176.094 0.209 0.000 1.283 43 V CA -0.919 61.568 62.300 0.312 0.000 1.065 43 V CB 1.993 33.974 31.823 0.263 0.000 1.079 43 V HN 0.629 nan 8.190 nan 0.000 0.448 44 D N 2.342 122.849 120.400 0.178 0.000 2.347 44 D HA 0.461 5.100 4.640 -0.001 0.000 0.235 44 D C -1.386 174.871 176.300 -0.071 0.000 1.149 44 D CA -2.156 51.897 54.000 0.089 0.000 0.850 44 D CB 1.975 42.874 40.800 0.164 0.000 1.061 44 D HN 0.441 nan 8.370 nan 0.000 0.487 45 P HA -0.195 nan 4.420 nan 0.000 0.218 45 P C 1.057 178.121 177.300 -0.393 0.000 1.146 45 P CA 1.173 63.869 63.100 -0.673 0.000 0.813 45 P CB 0.048 30.893 31.700 -1.426 0.000 0.778 46 Y N 0.843 121.090 120.300 -0.088 0.000 2.242 46 Y HA -0.104 4.446 4.550 -0.001 0.000 0.291 46 Y C 2.712 178.631 175.900 0.031 0.000 1.137 46 Y CA 0.973 59.049 58.100 -0.040 0.000 1.181 46 Y CB -0.634 37.771 38.460 -0.091 0.000 0.989 46 Y HN 0.026 nan 8.280 nan 0.000 0.527 47 E N -0.159 120.162 120.200 0.202 0.000 2.107 47 E HA -0.188 4.162 4.350 -0.001 0.000 0.191 47 E C 1.967 178.750 176.600 0.304 0.000 0.982 47 E CA 0.979 57.541 56.400 0.270 0.000 0.809 47 E CB -0.212 29.685 29.700 0.328 0.000 0.756 47 E HN 0.302 nan 8.360 nan 0.000 0.459 48 L N 0.766 122.027 121.223 0.063 0.000 2.027 48 L HA -0.032 4.308 4.340 -0.001 0.000 0.206 48 L C 2.235 179.013 176.870 -0.153 0.000 1.074 48 L CA 2.143 56.768 54.840 -0.358 0.000 0.745 48 L CB -0.826 40.895 42.059 -0.564 0.000 0.898 48 L HN 0.087 nan 8.230 nan 0.000 0.433 49 G N -1.300 107.473 108.800 -0.044 0.000 2.408 49 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 49 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 49 G C 1.560 176.548 174.900 0.146 0.000 1.150 49 G CA 0.751 45.898 45.100 0.078 0.000 0.776 49 G HN 0.622 nan 8.290 nan 0.000 0.542 50 A N 0.937 123.857 122.820 0.166 0.000 1.872 50 A HA 0.045 4.364 4.320 -0.001 0.000 0.214 50 A C 2.154 179.839 177.584 0.168 0.000 1.187 50 A CA 1.708 53.843 52.037 0.162 0.000 0.614 50 A CB -0.328 18.765 19.000 0.155 0.000 0.826 50 A HN 0.411 nan 8.150 nan 0.000 0.442 51 E N -0.351 119.984 120.200 0.226 0.000 2.150 51 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 51 E C 1.853 178.607 176.600 0.256 0.000 0.985 51 E CA 1.014 57.574 56.400 0.267 0.000 0.814 51 E CB -0.222 29.758 29.700 0.467 0.000 0.752 51 E HN 0.689 nan 8.360 nan 0.000 0.466 52 I N 1.217 121.927 120.570 0.233 0.000 2.333 52 I HA -0.188 3.981 4.170 -0.001 0.000 0.246 52 I C 2.700 178.954 176.117 0.229 0.000 1.106 52 I CA 1.381 62.836 61.300 0.258 0.000 1.411 52 I CB -0.475 37.575 38.000 0.082 0.000 1.082 52 I HN 0.184 nan 8.210 nan 0.000 0.420 53 T N -2.404 112.240 114.554 0.149 0.000 2.915 53 T HA -0.145 4.204 4.350 -0.001 0.000 0.269 53 T C 1.538 176.296 174.700 0.097 0.000 1.071 53 T CA 1.045 63.215 62.100 0.118 0.000 1.132 53 T CB -0.329 68.604 68.868 0.108 0.000 0.878 53 T HN 0.173 nan 8.240 nan 0.000 0.479 54 D N 0.400 120.863 120.400 0.105 0.000 2.097 54 D HA -0.061 4.578 4.640 -0.001 0.000 0.195 54 D C 1.451 177.766 176.300 0.024 0.000 0.989 54 D CA 0.874 54.908 54.000 0.057 0.000 0.827 54 D CB -0.495 40.341 40.800 0.060 0.000 0.966 54 D HN 0.608 nan 8.370 nan 0.000 0.456 55 W N 1.441 122.644 121.300 -0.162 0.000 2.342 55 W HA -0.112 4.547 4.660 -0.001 0.000 0.297 55 W C 2.023 178.459 176.519 -0.139 0.000 1.213 55 W CA 1.213 58.401 57.345 -0.261 0.000 1.251 55 W CB -0.260 28.917 29.460 -0.472 0.000 1.136 55 W HN -0.083 nan 8.180 nan 0.000 0.526 56 I N -0.273 120.290 120.570 -0.012 0.000 2.333 56 I HA -0.258 3.911 4.170 -0.001 0.000 0.246 56 I C 2.334 178.313 176.117 -0.231 0.000 1.106 56 I CA 0.923 62.103 61.300 -0.201 0.000 1.411 56 I CB -0.770 37.213 38.000 -0.029 0.000 1.082 56 I HN -0.066 nan 8.210 nan 0.000 0.420 57 L N 0.863 122.015 121.223 -0.118 0.000 2.083 57 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 57 L C 1.880 178.690 176.870 -0.101 0.000 1.083 57 L CA 1.147 55.936 54.840 -0.085 0.000 0.752 57 L CB -0.640 41.408 42.059 -0.018 0.000 0.899 57 L HN 0.320 nan 8.230 nan 0.000 0.433 58 N N -0.036 118.578 118.700 -0.144 0.000 2.609 58 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 58 N C 1.227 176.627 175.510 -0.184 0.000 1.157 58 N CA 0.760 53.724 53.050 -0.144 0.000 0.918 58 N CB -0.009 38.384 38.487 -0.155 0.000 0.978 58 N HN 0.538 nan 8.380 nan 0.000 0.448 59 Q N -0.481 119.171 119.800 -0.247 0.000 2.247 59 Q HA 0.134 4.473 4.340 -0.001 0.000 0.211 59 Q C 0.121 176.048 176.000 -0.122 0.000 0.861 59 Q CA -0.189 55.470 55.803 -0.240 0.000 0.949 59 Q CB 0.560 29.062 28.738 -0.394 0.000 1.115 59 Q HN 0.229 nan 8.270 nan 0.000 0.507 60 S N 0.433 116.101 115.700 -0.053 0.000 2.652 60 S HA 0.585 5.055 4.470 -0.001 0.000 0.270 60 S C 0.050 174.755 174.600 0.175 0.000 1.243 60 S CA -0.895 57.382 58.200 0.128 0.000 0.999 60 S CB 1.277 64.608 63.200 0.217 0.000 0.973 60 S HN 0.096 nan 8.310 nan 0.000 0.544 61 R N 0.154 120.835 120.500 0.301 0.000 3.307 61 R HA 0.623 4.962 4.340 -0.001 0.000 0.227 61 R C -0.893 175.545 176.300 0.230 0.000 1.645 61 R CA -0.918 55.337 56.100 0.258 0.000 1.015 61 R CB -0.237 30.305 30.300 0.402 0.000 1.832 61 R HN 0.528 nan 8.270 nan 0.000 0.533 62 E N 0.292 120.568 120.200 0.125 0.000 2.490 62 E HA 0.219 4.568 4.350 -0.001 0.000 0.232 62 E C -1.095 175.428 176.600 -0.129 0.000 1.091 62 E CA -0.101 56.288 56.400 -0.018 0.000 1.050 62 E CB 0.023 29.663 29.700 -0.101 0.000 1.342 62 E HN 0.280 nan 8.360 nan 0.000 0.454 63 W N -0.285 120.842 121.300 -0.289 0.000 3.040 63 W HA 0.268 4.928 4.660 -0.001 0.000 0.344 63 W C -0.216 176.036 176.519 -0.444 0.000 1.201 63 W CA -0.971 56.160 57.345 -0.356 0.000 1.119 63 W CB 0.481 29.677 29.460 -0.440 0.000 1.478 63 W HN 0.000 nan 8.180 nan 0.000 0.586 64 D N 0.029 120.403 120.400 -0.044 0.000 2.412 64 D HA 0.199 4.838 4.640 -0.001 0.000 0.224 64 D C -0.408 175.853 176.300 -0.065 0.000 1.093 64 D CA -0.354 53.620 54.000 -0.043 0.000 0.850 64 D CB 0.306 41.137 40.800 0.051 0.000 1.046 64 D HN 0.361 nan 8.370 nan 0.000 0.507 65 Y N 1.619 121.978 120.300 0.098 0.000 2.462 65 Y HA 0.035 4.584 4.550 -0.001 0.000 0.293 65 Y C 1.980 177.961 175.900 0.135 0.000 1.195 65 Y CA -0.051 58.100 58.100 0.085 0.000 1.276 65 Y CB 0.253 38.740 38.460 0.046 0.000 1.082 65 Y HN 0.404 nan 8.280 nan 0.000 0.514 66 S N -0.627 115.210 115.700 0.228 0.000 2.597 66 S HA 0.110 4.579 4.470 -0.001 0.000 0.224 66 S C 0.158 174.864 174.600 0.177 0.000 0.955 66 S CA -0.648 57.658 58.200 0.178 0.000 0.933 66 S CB -0.375 62.901 63.200 0.127 0.000 0.788 66 S HN 0.487 nan 8.310 nan 0.000 0.488 67 Q N 0.510 120.412 119.800 0.170 0.000 2.458 67 Q HA 0.627 4.967 4.340 -0.001 0.000 0.282 67 Q C -3.118 172.806 176.000 -0.126 0.000 1.106 67 Q CA -2.984 52.861 55.803 0.069 0.000 0.814 67 Q CB 0.794 29.624 28.738 0.154 0.000 1.425 67 Q HN 0.019 nan 8.270 nan 0.000 0.437 68 P HA -0.060 nan 4.420 nan 0.000 0.265 68 P C 0.470 177.404 177.300 -0.611 0.000 1.187 68 P CA 0.199 62.986 63.100 -0.522 0.000 0.766 68 P CB 0.872 32.198 31.700 -0.623 0.000 0.820 69 L N 2.097 122.869 121.223 -0.752 0.000 2.265 69 L HA -0.197 4.142 4.340 -0.001 0.000 0.215 69 L C 2.631 179.251 176.870 -0.416 0.000 1.117 69 L CA 1.931 56.400 54.840 -0.619 0.000 0.782 69 L CB -0.827 40.840 42.059 -0.653 0.000 0.914 69 L HN 0.474 nan 8.230 nan 0.000 0.441 70 S N -0.489 114.974 115.700 -0.396 0.000 2.399 70 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 70 S C 1.882 176.532 174.600 0.084 0.000 1.022 70 S CA 0.951 59.044 58.200 -0.178 0.000 0.983 70 S CB -0.746 62.405 63.200 -0.082 0.000 0.803 70 S HN 0.403 nan 8.310 nan 0.000 0.480 71 F N 1.672 121.526 119.950 -0.161 0.000 2.074 71 F HA 0.063 4.590 4.527 -0.001 0.000 0.293 71 F C 2.355 178.090 175.800 -0.108 0.000 1.116 71 F CA 0.667 58.601 58.000 -0.110 0.000 1.212 71 F CB -0.337 38.610 39.000 -0.089 0.000 0.998 71 F HN 0.156 nan 8.300 nan 0.000 0.471 72 L N 0.077 121.304 121.223 0.007 0.000 2.261 72 L HA -0.218 4.121 4.340 -0.001 0.000 0.216 72 L C 1.827 178.527 176.870 -0.283 0.000 1.114 72 L CA 1.422 56.122 54.840 -0.234 0.000 0.777 72 L CB -0.611 41.094 42.059 -0.590 0.000 0.910 72 L HN 0.188 nan 8.230 nan 0.000 0.440 73 K N -0.234 120.059 120.400 -0.178 0.000 2.352 73 K HA 0.175 4.495 4.320 -0.001 0.000 0.194 73 K C 1.020 177.599 176.600 -0.035 0.000 1.038 73 K CA 0.555 56.760 56.287 -0.136 0.000 1.023 73 K CB 0.564 32.965 32.500 -0.165 0.000 0.840 73 K HN 0.308 nan 8.250 nan 0.000 0.519 74 G N 2.895 111.701 108.800 0.010 0.000 2.248 74 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.263 74 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.263 74 G C -0.718 174.203 174.900 0.035 0.000 1.082 74 G CA -0.032 45.086 45.100 0.029 0.000 0.863 74 G HN 0.330 nan 8.290 nan 0.000 0.495 75 E N -0.484 119.750 120.200 0.056 0.000 2.231 75 E HA 0.552 4.902 4.350 -0.001 0.000 0.277 75 E C 0.500 177.168 176.600 0.115 0.000 0.999 75 E CA -0.899 55.549 56.400 0.080 0.000 0.827 75 E CB 1.079 30.829 29.700 0.084 0.000 1.101 75 E HN 0.054 nan 8.360 nan 0.000 0.393 76 K N 0.745 121.208 120.400 0.104 0.000 2.402 76 K HA 0.117 4.437 4.320 -0.001 0.000 0.204 76 K C 0.174 176.844 176.600 0.116 0.000 1.056 76 K CA 0.210 56.557 56.287 0.101 0.000 1.069 76 K CB 1.057 33.593 32.500 0.059 0.000 0.888 76 K HN 0.669 nan 8.250 nan 0.000 0.546 77 T N -1.749 112.887 114.554 0.137 0.000 2.906 77 T HA 0.408 4.757 4.350 -0.001 0.000 0.295 77 T C -2.682 172.121 174.700 0.173 0.000 1.075 77 T CA -1.678 60.497 62.100 0.124 0.000 1.005 77 T CB 2.841 71.757 68.868 0.079 0.000 1.136 77 T HN -0.242 nan 8.240 nan 0.000 0.498 78 P HA 0.212 nan 4.420 nan 0.000 0.253 78 P C 0.178 177.351 177.300 -0.211 0.000 1.508 78 P CA 0.042 63.103 63.100 -0.065 0.000 0.883 78 P CB -0.139 31.494 31.700 -0.112 0.000 1.519 79 D N 0.303 120.692 120.400 -0.020 0.000 2.263 79 D HA -0.164 4.475 4.640 -0.001 0.000 0.208 79 D C 1.820 178.113 176.300 -0.012 0.000 0.971 79 D CA 0.791 54.776 54.000 -0.025 0.000 0.867 79 D CB -0.381 40.440 40.800 0.036 0.000 0.929 79 D HN 0.253 nan 8.370 nan 0.000 0.492 80 W N 0.347 121.636 121.300 -0.018 0.000 2.342 80 W HA -0.172 4.487 4.660 -0.001 0.000 0.297 80 W C 1.634 178.134 176.519 -0.031 0.000 1.213 80 W CA -0.018 57.310 57.345 -0.028 0.000 1.251 80 W CB -1.303 28.137 29.460 -0.032 0.000 1.136 80 W HN 0.012 nan 8.180 nan 0.000 0.526 81 I N 2.515 122.699 120.570 -0.644 0.000 2.335 81 I HA -0.271 3.898 4.170 -0.001 0.000 0.251 81 I C 2.396 178.382 176.117 -0.218 0.000 1.129 81 I CA 1.715 62.681 61.300 -0.557 0.000 1.402 81 I CB -0.396 37.157 38.000 -0.746 0.000 1.069 81 I HN -0.124 nan 8.210 nan 0.000 0.424 82 K N 0.038 120.337 120.400 -0.168 0.000 2.360 82 K HA -0.076 4.244 4.320 -0.001 0.000 0.201 82 K C 1.416 177.977 176.600 -0.065 0.000 1.046 82 K CA 0.942 57.167 56.287 -0.104 0.000 0.945 82 K CB -0.072 32.379 32.500 -0.081 0.000 0.750 82 K HN 0.429 nan 8.250 nan 0.000 0.464 83 R N -0.087 120.400 120.500 -0.022 0.000 2.432 83 R HA 0.178 4.517 4.340 -0.001 0.000 0.260 83 R C -0.016 176.328 176.300 0.074 0.000 0.935 83 R CA -0.144 55.944 56.100 -0.018 0.000 1.080 83 R CB 0.877 31.169 30.300 -0.013 0.000 1.155 83 R HN -0.086 nan 8.270 nan 0.000 0.531 84 S N 0.549 116.300 115.700 0.084 0.000 2.672 84 S HA 0.428 4.898 4.470 -0.001 0.000 0.276 84 S C -0.174 174.455 174.600 0.048 0.000 1.207 84 S CA -0.586 57.686 58.200 0.119 0.000 1.002 84 S CB 2.498 65.790 63.200 0.153 0.000 0.998 84 S HN -0.121 nan 8.310 nan 0.000 0.542 85 V N 2.436 122.348 119.914 -0.003 0.000 2.409 85 V HA 0.306 4.425 4.120 -0.001 0.000 0.290 85 V C -0.574 175.481 176.094 -0.066 0.000 1.017 85 V CA -0.628 61.599 62.300 -0.121 0.000 0.841 85 V CB 1.536 33.193 31.823 -0.276 0.000 1.003 85 V HN 0.694 nan 8.190 nan 0.000 0.426 86 V N 5.374 125.259 119.914 -0.048 0.000 2.498 86 V HA 0.304 4.423 4.120 -0.001 0.000 0.279 86 V C -0.593 175.466 176.094 -0.059 0.000 1.048 86 V CA -0.550 61.763 62.300 0.022 0.000 0.967 86 V CB 1.236 33.132 31.823 0.122 0.000 0.988 86 V HN 0.757 nan 8.190 nan 0.000 0.473 87 Y N 3.599 123.834 120.300 -0.109 0.000 2.342 87 Y HA 0.674 5.223 4.550 -0.001 0.000 0.338 87 Y C 0.555 176.424 175.900 -0.051 0.000 0.965 87 Y CA -0.724 57.282 58.100 -0.156 0.000 1.159 87 Y CB 1.230 39.653 38.460 -0.062 0.000 1.157 87 Y HN 0.704 nan 8.280 nan 0.000 0.486 88 G N 3.525 112.000 108.800 -0.541 0.000 2.338 88 G HA2 0.450 4.409 3.960 -0.001 0.000 0.298 88 G HA3 0.450 4.409 3.960 -0.001 0.000 0.298 88 G C -1.039 173.711 174.900 -0.250 0.000 1.140 88 G CA -0.356 44.718 45.100 -0.042 0.000 0.860 88 G HN 0.649 nan 8.290 nan 0.000 0.470 89 S N 1.107 116.745 115.700 -0.105 0.000 2.556 89 S HA 0.546 5.015 4.470 -0.001 0.000 0.271 89 S C -1.459 173.076 174.600 -0.108 0.000 1.135 89 S CA -0.691 57.449 58.200 -0.101 0.000 0.858 89 S CB 1.695 64.896 63.200 0.001 0.000 1.114 89 S HN 0.899 nan 8.310 nan 0.000 0.468 90 L N 5.506 126.696 121.223 -0.055 0.000 2.356 90 L HA 0.620 4.959 4.340 -0.001 0.000 0.264 90 L C -2.142 174.721 176.870 -0.012 0.000 1.029 90 L CA -1.960 52.833 54.840 -0.079 0.000 0.897 90 L CB 0.984 42.995 42.059 -0.080 0.000 1.256 90 L HN 0.420 nan 8.230 nan 0.000 0.444 91 P HA -0.278 nan 4.420 nan 0.000 0.220 91 P C 1.409 178.780 177.300 0.117 0.000 1.155 91 P CA 1.734 64.817 63.100 -0.027 0.000 0.880 91 P CB 0.049 31.590 31.700 -0.266 0.000 0.790 92 R N -0.919 119.714 120.500 0.221 0.000 2.117 92 R HA -0.135 4.204 4.340 -0.001 0.000 0.243 92 R C 1.554 177.924 176.300 0.117 0.000 1.143 92 R CA 2.304 58.503 56.100 0.164 0.000 0.968 92 R CB -0.754 29.584 30.300 0.064 0.000 0.863 92 R HN 0.183 nan 8.270 nan 0.000 0.444 93 T N -0.659 113.959 114.554 0.106 0.000 2.953 93 T HA 0.006 4.356 4.350 -0.001 0.000 0.247 93 T C 1.709 176.529 174.700 0.200 0.000 1.029 93 T CA 1.269 63.445 62.100 0.126 0.000 1.144 93 T CB -0.194 68.746 68.868 0.121 0.000 0.870 93 T HN 0.291 nan 8.240 nan 0.000 0.446 94 T N 2.432 117.112 114.554 0.209 0.000 2.685 94 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 94 T C 1.896 176.821 174.700 0.376 0.000 1.034 94 T CA 1.405 63.703 62.100 0.330 0.000 1.149 94 T CB -0.354 68.674 68.868 0.267 0.000 0.860 94 T HN 0.419 nan 8.240 nan 0.000 0.449 95 A N 0.356 123.296 122.820 0.201 0.000 2.460 95 A HA 0.721 5.040 4.320 -0.001 0.000 0.258 95 A C 0.924 178.704 177.584 0.327 0.000 1.300 95 A CA -0.136 51.977 52.037 0.128 0.000 0.913 95 A CB -0.169 18.789 19.000 -0.070 0.000 1.031 95 A HN 0.482 nan 8.150 nan 0.000 0.512 96 A N -0.391 122.617 122.820 0.313 0.000 2.340 96 A HA 0.640 4.960 4.320 -0.001 0.000 0.268 96 A C -0.716 177.014 177.584 0.243 0.000 1.100 96 A CA -0.063 52.128 52.037 0.258 0.000 0.803 96 A CB 0.201 19.272 19.000 0.119 0.000 1.043 96 A HN 0.906 nan 8.150 nan 0.000 0.488 97 Y N 1.271 121.512 120.300 -0.098 0.000 2.452 97 Y HA 0.218 4.768 4.550 -0.001 0.000 0.323 97 Y C -0.679 174.878 175.900 -0.572 0.000 1.244 97 Y CA -1.008 56.854 58.100 -0.397 0.000 1.158 97 Y CB 1.170 39.178 38.460 -0.753 0.000 1.332 97 Y HN 0.701 nan 8.280 nan 0.000 0.456 98 N N 4.411 122.575 118.700 -0.893 0.000 2.434 98 N HA 0.026 4.766 4.740 -0.001 0.000 0.273 98 N C 0.526 175.686 175.510 -0.583 0.000 1.210 98 N CA 0.521 53.216 53.050 -0.593 0.000 0.992 98 N CB 0.024 38.259 38.487 -0.419 0.000 1.355 98 N HN 0.715 nan 8.380 nan 0.000 0.495 99 H N 2.277 121.197 119.070 -0.250 0.000 2.561 99 H HA -0.020 4.535 4.556 -0.001 0.000 0.278 99 H C 0.975 176.246 175.328 -0.094 0.000 1.014 99 H CA 0.640 56.486 56.048 -0.337 0.000 1.211 99 H CB 0.534 29.862 29.762 -0.723 0.000 1.365 99 H HN 0.571 nan 8.280 nan 0.000 0.594 100 K N 0.033 120.487 120.400 0.091 0.000 2.148 100 K HA -0.033 4.286 4.320 -0.001 0.000 0.204 100 K C 1.445 178.163 176.600 0.196 0.000 1.050 100 K CA 0.776 57.172 56.287 0.182 0.000 0.942 100 K CB 0.247 32.810 32.500 0.105 0.000 0.724 100 K HN 0.392 nan 8.250 nan 0.000 0.446 101 G N 1.541 110.368 108.800 0.046 0.000 2.143 101 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.249 101 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.249 101 G C -0.020 174.936 174.900 0.093 0.000 0.981 101 G CA 0.439 45.583 45.100 0.073 0.000 0.665 101 G HN 0.502 nan 8.290 nan 0.000 0.528 102 S N -2.009 113.703 115.700 0.019 0.000 2.595 102 S HA 0.888 5.358 4.470 -0.001 0.000 0.270 102 S C 0.887 175.456 174.600 -0.051 0.000 1.145 102 S CA 0.697 58.892 58.200 -0.007 0.000 0.825 102 S CB 1.559 64.785 63.200 0.044 0.000 1.107 102 S HN 2.442 nan 8.310 nan 0.000 0.461 103 G N 0.844 109.591 108.800 -0.087 0.000 2.569 103 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.259 103 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.259 103 G C -0.954 173.787 174.900 -0.265 0.000 1.263 103 G CA 0.290 45.335 45.100 -0.093 0.000 0.928 103 G HN 1.286 nan 8.290 nan 0.000 0.572 104 Y N -0.711 119.564 120.300 -0.042 0.000 2.419 104 Y HA 0.573 5.123 4.550 -0.001 0.000 0.328 104 Y C 0.712 176.613 175.900 0.002 0.000 1.162 104 Y CA -0.216 57.861 58.100 -0.039 0.000 1.174 104 Y CB 1.003 39.439 38.460 -0.040 0.000 1.228 104 Y HN 0.699 nan 8.280 nan 0.000 0.473 105 Y N 1.806 122.119 120.300 0.021 0.000 2.578 105 Y HA 0.196 4.745 4.550 -0.001 0.000 0.339 105 Y C -0.425 175.511 175.900 0.059 0.000 1.231 105 Y CA -0.006 58.108 58.100 0.022 0.000 1.461 105 Y CB 0.421 38.964 38.460 0.138 0.000 1.323 105 Y HN 0.617 nan 8.280 nan 0.000 0.590 106 E N 3.880 123.661 120.200 -0.698 0.000 2.304 106 E HA 0.058 4.407 4.350 -0.001 0.000 0.277 106 E C -0.011 176.118 176.600 -0.786 0.000 0.898 106 E CA -0.654 55.461 56.400 -0.476 0.000 0.764 106 E CB 1.904 31.479 29.700 -0.208 0.000 1.216 106 E HN 0.736 nan 8.360 nan 0.000 0.419 107 E N 1.977 121.890 120.200 -0.478 0.000 2.086 107 E HA -0.161 4.188 4.350 -0.001 0.000 0.200 107 E C -0.240 176.220 176.600 -0.234 0.000 1.012 107 E CA 1.586 57.765 56.400 -0.369 0.000 0.812 107 E CB 0.210 29.798 29.700 -0.186 0.000 0.743 107 E HN 0.322 nan 8.360 nan 0.000 0.453 108 N N 0.738 119.347 118.700 -0.152 0.000 2.336 108 N HA 0.152 4.891 4.740 -0.001 0.000 0.290 108 N C -1.617 173.860 175.510 -0.056 0.000 1.058 108 N CA -0.416 52.597 53.050 -0.062 0.000 0.865 108 N CB 1.814 40.291 38.487 -0.017 0.000 1.581 108 N HN 0.085 nan 8.380 nan 0.000 0.480 109 D N -0.919 119.469 120.400 -0.021 0.000 2.487 109 D HA 0.189 4.828 4.640 -0.001 0.000 0.262 109 D C 0.807 177.083 176.300 -0.042 0.000 1.130 109 D CA -0.725 53.262 54.000 -0.021 0.000 1.038 109 D CB 0.832 41.643 40.800 0.019 0.000 1.142 109 D HN 0.061 nan 8.370 nan 0.000 0.575 110 V N -0.255 119.635 119.914 -0.040 0.000 3.305 110 V HA 0.000 4.120 4.120 -0.001 0.000 0.269 110 V C 1.361 177.386 176.094 -0.115 0.000 1.157 110 V CA 1.005 63.271 62.300 -0.056 0.000 1.157 110 V CB -0.815 30.992 31.823 -0.026 0.000 0.772 110 V HN 0.489 nan 8.190 nan 0.000 0.498 111 L N -0.164 120.937 121.223 -0.203 0.000 2.592 111 L HA 0.379 4.718 4.340 -0.001 0.000 0.227 111 L C 1.750 178.179 176.870 -0.735 0.000 1.127 111 L CA 0.847 55.426 54.840 -0.435 0.000 0.884 111 L CB -0.147 41.621 42.059 -0.485 0.000 1.065 111 L HN 0.463 nan 8.230 nan 0.000 0.457 112 G N 0.001 108.542 108.800 -0.431 0.000 2.175 112 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 112 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 112 G C 0.145 174.966 174.900 -0.131 0.000 0.982 112 G CA -0.482 44.452 45.100 -0.276 0.000 0.641 112 G HN 0.231 nan 8.290 nan 0.000 0.527 113 F N 0.551 120.560 119.950 0.099 0.000 2.396 113 F HA 0.580 5.106 4.527 -0.001 0.000 0.343 113 F C 1.063 176.926 175.800 0.105 0.000 1.104 113 F CA -1.019 57.062 58.000 0.135 0.000 1.161 113 F CB 0.988 40.120 39.000 0.220 0.000 1.146 113 F HN 0.020 nan 8.300 nan 0.000 0.522 114 R N 2.642 123.331 120.500 0.315 0.000 2.220 114 R HA 0.118 4.457 4.340 -0.001 0.000 0.340 114 R C 0.540 176.987 176.300 0.245 0.000 1.076 114 R CA -0.045 56.163 56.100 0.180 0.000 0.920 114 R CB 0.447 30.822 30.300 0.125 0.000 1.062 114 R HN 0.772 nan 8.270 nan 0.000 0.469 115 E N 2.757 123.004 120.200 0.077 0.000 2.216 115 E HA -0.019 4.331 4.350 -0.001 0.000 0.192 115 E C 0.450 177.129 176.600 0.130 0.000 0.988 115 E CA 0.521 56.911 56.400 -0.016 0.000 0.834 115 E CB 0.207 29.640 29.700 -0.446 0.000 0.772 115 E HN 0.701 nan 8.360 nan 0.000 0.479 116 A N 1.420 124.301 122.820 0.101 0.000 2.386 116 A HA 0.383 4.703 4.320 -0.001 0.000 0.246 116 A C 0.765 178.446 177.584 0.161 0.000 1.089 116 A CA 0.245 52.393 52.037 0.184 0.000 0.790 116 A CB 0.131 19.164 19.000 0.055 0.000 1.042 116 A HN 0.182 nan 8.150 nan 0.000 0.497 117 G N -0.334 108.551 108.800 0.142 0.000 2.441 117 G HA2 0.481 4.441 3.960 -0.001 0.000 0.243 117 G HA3 0.481 4.441 3.960 -0.001 0.000 0.243 117 G C 0.194 175.158 174.900 0.107 0.000 1.281 117 G CA 0.654 45.835 45.100 0.136 0.000 0.854 117 G HN 1.394 nan 8.290 nan 0.000 0.560 118 T N -1.303 113.295 114.554 0.073 0.000 2.883 118 T HA 0.466 4.815 4.350 -0.001 0.000 0.296 118 T C 0.645 175.336 174.700 -0.014 0.000 1.117 118 T CA -0.736 61.382 62.100 0.030 0.000 1.006 118 T CB 1.238 70.162 68.868 0.094 0.000 1.191 118 T HN 0.121 nan 8.240 nan 0.000 0.508 119 F N -0.118 119.860 119.950 0.046 0.000 2.216 119 F HA 0.137 4.663 4.527 -0.001 0.000 0.300 119 F C 1.902 177.703 175.800 0.001 0.000 1.085 119 F CA 0.222 58.158 58.000 -0.107 0.000 1.326 119 F CB -0.932 38.070 39.000 0.003 0.000 1.027 119 F HN 0.728 nan 8.300 nan 0.000 0.497 120 F N 1.014 121.027 119.950 0.105 0.000 2.102 120 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 120 F C 2.268 178.045 175.800 -0.039 0.000 1.105 120 F CA 1.615 59.630 58.000 0.026 0.000 1.239 120 F CB -0.205 38.782 39.000 -0.022 0.000 0.991 120 F HN -0.186 nan 8.300 nan 0.000 0.474 121 K N -0.405 119.891 120.400 -0.173 0.000 2.155 121 K HA -0.108 4.211 4.320 -0.001 0.000 0.203 121 K C 1.891 178.255 176.600 -0.393 0.000 1.052 121 K CA 0.987 57.040 56.287 -0.390 0.000 0.948 121 K CB -0.094 32.270 32.500 -0.227 0.000 0.728 121 K HN 0.263 nan 8.250 nan 0.000 0.448 122 M N 0.258 119.722 119.600 -0.227 0.000 2.446 122 M HA -0.098 4.381 4.480 -0.001 0.000 0.263 122 M C 2.016 178.322 176.300 0.009 0.000 1.066 122 M CA 1.323 56.507 55.300 -0.194 0.000 1.087 122 M CB -0.455 31.925 32.600 -0.367 0.000 1.406 122 M HN 0.272 nan 8.290 nan 0.000 0.459 123 M N -0.470 119.135 119.600 0.009 0.000 2.325 123 M HA -0.064 4.416 4.480 -0.001 0.000 0.265 123 M C 1.755 177.965 176.300 -0.149 0.000 1.094 123 M CA 1.050 56.396 55.300 0.078 0.000 1.161 123 M CB 0.064 32.735 32.600 0.118 0.000 1.358 123 M HN 0.124 nan 8.290 nan 0.000 0.446 124 L N 0.493 121.496 121.223 -0.366 0.000 2.265 124 L HA -0.178 4.162 4.340 -0.001 0.000 0.215 124 L C 1.927 178.533 176.870 -0.439 0.000 1.117 124 L CA 0.857 55.431 54.840 -0.443 0.000 0.782 124 L CB -0.586 41.099 42.059 -0.623 0.000 0.914 124 L HN 0.412 nan 8.230 nan 0.000 0.441 125 L N -0.965 119.976 121.223 -0.469 0.000 2.558 125 L HA -0.047 4.293 4.340 -0.001 0.000 0.225 125 L C 2.244 178.992 176.870 -0.204 0.000 1.128 125 L CA 0.009 54.566 54.840 -0.472 0.000 0.868 125 L CB -0.155 41.544 42.059 -0.599 0.000 1.006 125 L HN 0.261 nan 8.230 nan 0.000 0.454 126 L N 0.498 121.647 121.223 -0.123 0.000 2.081 126 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 126 L C -0.204 176.641 176.870 -0.043 0.000 1.080 126 L CA 1.606 56.416 54.840 -0.050 0.000 0.754 126 L CB -1.548 40.498 42.059 -0.021 0.000 0.893 126 L HN 0.274 nan 8.230 nan 0.000 0.433 127 P HA -0.195 nan 4.420 nan 0.000 0.218 127 P C 1.472 178.694 177.300 -0.130 0.000 1.149 127 P CA 1.205 64.201 63.100 -0.175 0.000 0.817 127 P CB -0.011 31.425 31.700 -0.440 0.000 0.785 128 F N 0.447 120.237 119.950 -0.266 0.000 2.084 128 F HA -0.184 4.342 4.527 -0.001 0.000 0.296 128 F C 2.026 177.695 175.800 -0.217 0.000 1.111 128 F CA 1.384 59.250 58.000 -0.223 0.000 1.224 128 F CB -0.957 37.903 39.000 -0.234 0.000 0.991 128 F HN -0.331 nan 8.300 nan 0.000 0.471 129 V N 0.683 120.485 119.914 -0.185 0.000 2.324 129 V HA -0.360 3.760 4.120 -0.001 0.000 0.250 129 V C 2.387 178.288 176.094 -0.322 0.000 1.060 129 V CA 2.368 64.435 62.300 -0.388 0.000 1.042 129 V CB -0.892 30.752 31.823 -0.298 0.000 0.650 129 V HN 0.282 nan 8.190 nan 0.000 0.450 130 K N 1.337 121.622 120.400 -0.192 0.000 2.097 130 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 130 K C 2.262 178.769 176.600 -0.156 0.000 1.049 130 K CA 1.712 57.927 56.287 -0.121 0.000 0.933 130 K CB -0.534 31.966 32.500 0.001 0.000 0.717 130 K HN 0.602 nan 8.250 nan 0.000 0.442 131 S N -0.128 115.440 115.700 -0.221 0.000 2.507 131 S HA -0.045 4.425 4.470 -0.001 0.000 0.235 131 S C 1.650 176.081 174.600 -0.281 0.000 0.988 131 S CA 0.682 58.746 58.200 -0.226 0.000 0.944 131 S CB -0.398 62.653 63.200 -0.248 0.000 0.762 131 S HN 0.349 nan 8.310 nan 0.000 0.526 132 L N 0.452 121.456 121.223 -0.365 0.000 2.492 132 L HA 0.310 4.649 4.340 -0.001 0.000 0.223 132 L C 2.046 178.780 176.870 -0.227 0.000 1.132 132 L CA 0.478 55.128 54.840 -0.315 0.000 0.850 132 L CB -0.699 41.140 42.059 -0.366 0.000 0.966 132 L HN 0.599 nan 8.230 nan 0.000 0.454 133 G N 0.014 108.687 108.800 -0.212 0.000 2.175 133 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.244 133 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.244 133 G C 0.365 175.130 174.900 -0.225 0.000 0.982 133 G CA -0.054 44.919 45.100 -0.211 0.000 0.641 133 G HN 0.474 nan 8.290 nan 0.000 0.527 134 A N 0.643 123.349 122.820 -0.190 0.000 2.388 134 A HA 0.586 4.905 4.320 -0.001 0.000 0.257 134 A C 0.861 178.391 177.584 -0.090 0.000 1.095 134 A CA 0.793 52.748 52.037 -0.136 0.000 0.791 134 A CB 0.400 19.349 19.000 -0.084 0.000 1.029 134 A HN 0.875 nan 8.150 nan 0.000 0.489 135 D N -0.401 119.972 120.400 -0.045 0.000 2.599 135 D HA 0.477 5.116 4.640 -0.001 0.000 0.249 135 D C -0.272 176.052 176.300 0.040 0.000 1.313 135 D CA 0.563 54.556 54.000 -0.012 0.000 0.815 135 D CB 0.181 40.981 40.800 -0.001 0.000 1.077 135 D HN 0.716 nan 8.370 nan 0.000 0.492 136 A N 0.260 123.122 122.820 0.070 0.000 2.540 136 A HA 0.619 4.938 4.320 -0.001 0.000 0.297 136 A C -1.493 176.182 177.584 0.152 0.000 1.056 136 A CA -0.752 51.365 52.037 0.134 0.000 0.700 136 A CB 1.026 20.158 19.000 0.220 0.000 1.280 136 A HN 0.165 nan 8.150 nan 0.000 0.398 137 I N 2.449 123.119 120.570 0.167 0.000 2.406 137 I HA 0.345 4.514 4.170 -0.001 0.000 0.290 137 I C -0.924 175.328 176.117 0.225 0.000 0.999 137 I CA -0.689 60.741 61.300 0.217 0.000 1.124 137 I CB 1.706 39.841 38.000 0.225 0.000 1.289 137 I HN 0.771 nan 8.210 nan 0.000 0.441 138 Y N 7.702 128.079 120.300 0.127 0.000 2.330 138 Y HA 0.701 5.250 4.550 -0.001 0.000 0.336 138 Y C -1.469 174.472 175.900 0.068 0.000 1.036 138 Y CA -0.694 57.468 58.100 0.103 0.000 1.125 138 Y CB 1.017 39.562 38.460 0.141 0.000 1.194 138 Y HN 0.374 nan 8.280 nan 0.000 0.469 139 L N 6.879 127.619 121.223 -0.806 0.000 2.342 139 L HA 0.480 4.819 4.340 -0.001 0.000 0.271 139 L C -0.485 175.832 176.870 -0.923 0.000 1.008 139 L CA -1.044 53.379 54.840 -0.695 0.000 0.818 139 L CB 1.894 43.751 42.059 -0.336 0.000 1.296 139 L HN 0.624 nan 8.230 nan 0.000 0.427 140 L N 1.693 122.542 121.223 -0.622 0.000 2.475 140 L HA 0.329 4.668 4.340 -0.001 0.000 0.253 140 L C -2.056 174.522 176.870 -0.487 0.000 1.198 140 L CA -1.834 52.722 54.840 -0.472 0.000 0.814 140 L CB -0.024 41.833 42.059 -0.337 0.000 1.134 140 L HN 0.268 nan 8.230 nan 0.000 0.478 141 P HA -0.100 nan 4.420 nan 0.000 0.259 141 P C 0.258 177.354 177.300 -0.340 0.000 1.163 141 P CA 0.413 63.218 63.100 -0.491 0.000 0.760 141 P CB 0.280 31.640 31.700 -0.567 0.000 0.762 142 V N 0.456 120.195 119.914 -0.292 0.000 3.276 142 V HA 0.138 4.258 4.120 -0.001 0.000 0.319 142 V C 0.573 176.661 176.094 -0.010 0.000 1.427 142 V CA -0.187 62.033 62.300 -0.132 0.000 1.102 142 V CB -0.518 31.118 31.823 -0.311 0.000 1.020 142 V HN 0.442 nan 8.190 nan 0.000 0.456 143 S N 0.698 116.374 115.700 -0.041 0.000 2.606 143 S HA 0.341 4.810 4.470 -0.001 0.000 0.257 143 S C 0.336 174.996 174.600 0.101 0.000 1.327 143 S CA -0.514 57.733 58.200 0.077 0.000 0.984 143 S CB 0.687 63.956 63.200 0.116 0.000 0.941 143 S HN 0.663 nan 8.310 nan 0.000 0.576 144 R N 0.190 120.772 120.500 0.136 0.000 2.522 144 R HA 0.168 4.508 4.340 -0.001 0.000 0.284 144 R C -0.570 175.784 176.300 0.090 0.000 1.032 144 R CA 0.369 56.537 56.100 0.113 0.000 1.049 144 R CB -0.002 30.376 30.300 0.130 0.000 0.956 144 R HN 0.636 nan 8.270 nan 0.000 0.422 145 M N 2.394 122.031 119.600 0.060 0.000 2.336 145 M HA 0.185 4.665 4.480 -0.001 0.000 0.342 145 M C 0.124 176.467 176.300 0.071 0.000 1.128 145 M CA -0.509 54.825 55.300 0.056 0.000 1.016 145 M CB 2.100 34.711 32.600 0.018 0.000 1.665 145 M HN 0.558 nan 8.290 nan 0.000 0.445 146 S N 0.571 116.328 115.700 0.095 0.000 2.576 146 S HA 0.087 4.556 4.470 -0.001 0.000 0.276 146 S C 0.208 174.864 174.600 0.093 0.000 1.339 146 S CA -0.243 58.019 58.200 0.104 0.000 1.039 146 S CB 0.368 63.651 63.200 0.137 0.000 0.902 146 S HN 0.752 nan 8.310 nan 0.000 0.516 147 D N 3.113 123.558 120.400 0.075 0.000 2.424 147 D HA 0.226 4.865 4.640 -0.001 0.000 0.220 147 D C -0.316 176.008 176.300 0.040 0.000 1.150 147 D CA 0.119 54.155 54.000 0.060 0.000 0.831 147 D CB 0.311 41.136 40.800 0.042 0.000 0.981 147 D HN 0.420 nan 8.370 nan 0.000 0.500 148 L N 0.052 121.311 121.223 0.060 0.000 2.334 148 L HA 0.284 4.624 4.340 -0.001 0.000 0.275 148 L C 0.048 176.995 176.870 0.129 0.000 1.036 148 L CA -0.751 54.075 54.840 -0.024 0.000 0.807 148 L CB 0.933 42.968 42.059 -0.040 0.000 1.231 148 L HN -0.018 nan 8.230 nan 0.000 0.438 149 F N 0.449 120.428 119.950 0.049 0.000 3.039 149 F HA -0.249 4.277 4.527 -0.001 0.000 0.287 149 F C 0.555 176.385 175.800 0.050 0.000 0.956 149 F CA 0.493 58.521 58.000 0.047 0.000 0.971 149 F CB -1.602 37.430 39.000 0.054 0.000 0.943 149 F HN 0.473 nan 8.300 nan 0.000 0.766 150 K N 0.301 120.794 120.400 0.155 0.000 2.126 150 K HA 0.309 4.628 4.320 -0.001 0.000 0.257 150 K C 1.153 177.796 176.600 0.072 0.000 1.007 150 K CA -0.715 55.648 56.287 0.127 0.000 0.928 150 K CB 1.173 33.733 32.500 0.099 0.000 1.013 150 K HN 0.218 nan 8.250 nan 0.000 0.473 151 K N 0.355 120.770 120.400 0.024 0.000 2.166 151 K HA 0.049 4.369 4.320 -0.001 0.000 0.201 151 K C 1.052 177.638 176.600 -0.024 0.000 1.052 151 K CA 0.505 56.733 56.287 -0.099 0.000 0.969 151 K CB 0.441 32.669 32.500 -0.453 0.000 0.761 151 K HN 0.735 nan 8.250 nan 0.000 0.459 152 G N 0.982 109.822 108.800 0.067 0.000 3.243 152 G HA2 0.051 4.010 3.960 -0.001 0.000 0.248 152 G HA3 0.051 4.010 3.960 -0.001 0.000 0.248 152 G C -0.687 174.236 174.900 0.038 0.000 1.267 152 G CA -0.260 44.881 45.100 0.068 0.000 0.906 152 G HN 0.111 nan 8.290 nan 0.000 0.592 153 D N -0.611 119.773 120.400 -0.026 0.000 2.363 153 D HA 0.389 5.029 4.640 -0.001 0.000 0.226 153 D C 0.762 176.976 176.300 -0.144 0.000 1.020 153 D CA 0.570 54.519 54.000 -0.085 0.000 0.892 153 D CB 0.235 40.964 40.800 -0.118 0.000 0.900 153 D HN 0.534 nan 8.370 nan 0.000 0.531 154 A N 0.720 123.484 122.820 -0.094 0.000 2.371 154 A HA 0.631 4.951 4.320 -0.001 0.000 0.311 154 A C -2.788 174.846 177.584 0.083 0.000 1.068 154 A CA -1.649 50.378 52.037 -0.018 0.000 0.744 154 A CB 1.690 20.662 19.000 -0.046 0.000 1.239 154 A HN -0.042 nan 8.150 nan 0.000 0.435 155 P HA 0.168 nan 4.420 nan 0.000 0.274 155 P C 0.017 177.364 177.300 0.078 0.000 1.237 155 P CA -0.068 63.093 63.100 0.101 0.000 0.793 155 P CB 1.238 32.979 31.700 0.069 0.000 0.977 156 S N 2.207 117.993 115.700 0.143 0.000 2.505 156 S HA 0.196 4.666 4.470 -0.001 0.000 0.276 156 S C -1.174 173.410 174.600 -0.026 0.000 1.274 156 S CA -1.601 56.650 58.200 0.085 0.000 1.053 156 S CB -0.128 63.248 63.200 0.292 0.000 0.919 156 S HN 0.296 nan 8.310 nan 0.000 0.490 157 P HA -0.123 nan 4.420 nan 0.000 0.226 157 P C 0.290 177.380 177.300 -0.349 0.000 1.146 157 P CA 1.193 64.103 63.100 -0.316 0.000 0.773 157 P CB -0.135 31.254 31.700 -0.518 0.000 0.772 158 Y N 0.432 120.686 120.300 -0.077 0.000 2.511 158 Y HA 0.038 4.587 4.550 -0.001 0.000 0.279 158 Y C 1.472 177.388 175.900 0.028 0.000 1.157 158 Y CA 0.312 58.400 58.100 -0.019 0.000 1.300 158 Y CB -0.224 38.226 38.460 -0.016 0.000 1.052 158 Y HN -0.003 nan 8.280 nan 0.000 0.529 159 S N 0.280 116.069 115.700 0.148 0.000 2.543 159 S HA 0.392 4.862 4.470 -0.001 0.000 0.299 159 S C -0.477 174.196 174.600 0.121 0.000 1.125 159 S CA -0.728 57.558 58.200 0.144 0.000 1.098 159 S CB -0.087 63.206 63.200 0.156 0.000 1.063 159 S HN -0.037 nan 8.310 nan 0.000 0.493 160 V N 4.954 124.947 119.914 0.131 0.000 2.415 160 V HA 0.180 4.299 4.120 -0.001 0.000 0.267 160 V C 1.539 177.738 176.094 0.174 0.000 1.042 160 V CA -0.073 62.311 62.300 0.140 0.000 1.000 160 V CB 0.362 32.284 31.823 0.165 0.000 1.015 160 V HN 0.953 nan 8.190 nan 0.000 0.478 161 K N 3.640 124.135 120.400 0.159 0.000 2.243 161 K HA 0.047 4.366 4.320 -0.001 0.000 0.201 161 K C 0.674 177.391 176.600 0.196 0.000 1.051 161 K CA 0.547 56.936 56.287 0.170 0.000 0.970 161 K CB 0.262 32.843 32.500 0.135 0.000 0.755 161 K HN 0.654 nan 8.250 nan 0.000 0.465 162 N N -0.358 118.465 118.700 0.204 0.000 2.599 162 N HA 0.166 4.906 4.740 -0.001 0.000 0.283 162 N C -2.638 173.036 175.510 0.274 0.000 1.160 162 N CA -1.484 51.710 53.050 0.240 0.000 0.869 162 N CB 1.951 40.560 38.487 0.204 0.000 1.448 162 N HN -0.215 nan 8.380 nan 0.000 0.535 163 P HA -0.004 nan 4.420 nan 0.000 0.220 163 P C 1.323 178.864 177.300 0.401 0.000 1.148 163 P CA 0.959 64.275 63.100 0.360 0.000 0.803 163 P CB 0.333 32.263 31.700 0.384 0.000 0.782 164 M N -1.453 118.328 119.600 0.302 0.000 2.556 164 M HA 0.098 4.577 4.480 -0.001 0.000 0.245 164 M C 0.297 176.756 176.300 0.264 0.000 1.128 164 M CA 0.925 56.338 55.300 0.189 0.000 1.069 164 M CB -0.555 32.011 32.600 -0.057 0.000 1.469 164 M HN -0.062 nan 8.290 nan 0.000 0.494 165 E N 0.563 120.939 120.200 0.294 0.000 2.244 165 E HA 0.571 4.921 4.350 -0.001 0.000 0.266 165 E C -0.632 176.138 176.600 0.284 0.000 0.914 165 E CA -0.579 55.986 56.400 0.276 0.000 0.794 165 E CB 2.320 32.141 29.700 0.202 0.000 1.210 165 E HN 0.178 nan 8.360 nan 0.000 0.414 166 L N 0.839 122.220 121.223 0.263 0.000 2.379 166 L HA 0.260 4.600 4.340 -0.001 0.000 0.269 166 L C 0.728 177.728 176.870 0.217 0.000 1.084 166 L CA -0.663 54.310 54.840 0.222 0.000 0.802 166 L CB 0.657 42.843 42.059 0.212 0.000 1.175 166 L HN 0.341 nan 8.230 nan 0.000 0.448 167 D N 1.318 121.851 120.400 0.221 0.000 2.343 167 D HA -0.052 4.588 4.640 -0.001 0.000 0.255 167 D C 0.813 177.182 176.300 0.115 0.000 1.187 167 D CA -0.055 54.022 54.000 0.128 0.000 0.875 167 D CB 1.584 42.398 40.800 0.025 0.000 1.136 167 D HN 0.586 nan 8.370 nan 0.000 0.469 168 E N 4.091 124.346 120.200 0.092 0.000 2.273 168 E HA -0.229 4.121 4.350 -0.001 0.000 0.198 168 E C 1.439 178.079 176.600 0.066 0.000 1.002 168 E CA 1.380 57.840 56.400 0.100 0.000 0.828 168 E CB 0.024 29.765 29.700 0.068 0.000 0.747 168 E HN 0.448 nan 8.360 nan 0.000 0.491 169 R N -1.124 119.337 120.500 -0.066 0.000 2.237 169 R HA -0.074 4.265 4.340 -0.001 0.000 0.219 169 R C 1.401 177.549 176.300 -0.253 0.000 1.080 169 R CA 1.202 57.203 56.100 -0.165 0.000 0.995 169 R CB -0.252 29.887 30.300 -0.267 0.000 0.875 169 R HN 0.386 nan 8.270 nan 0.000 0.462 170 Y N -1.014 119.179 120.300 -0.178 0.000 2.578 170 Y HA -0.060 4.489 4.550 -0.001 0.000 0.297 170 Y C 0.822 176.585 175.900 -0.228 0.000 1.176 170 Y CA -0.241 57.577 58.100 -0.470 0.000 1.315 170 Y CB -0.134 37.594 38.460 -1.220 0.000 1.031 170 Y HN 0.141 nan 8.280 nan 0.000 0.524 171 H N 0.520 119.625 119.070 0.058 0.000 2.652 171 H HA 0.104 4.660 4.556 -0.001 0.000 0.349 171 H C -0.687 174.707 175.328 0.109 0.000 1.099 171 H CA -0.477 55.652 56.048 0.136 0.000 1.417 171 H CB 0.634 30.477 29.762 0.135 0.000 1.457 171 H HN -0.026 nan 8.280 nan 0.000 0.568 172 D N 5.346 125.395 120.400 -0.586 0.000 2.303 172 D HA 0.130 4.769 4.640 -0.001 0.000 0.236 172 D C -1.736 174.214 176.300 -0.584 0.000 1.068 172 D CA -2.224 51.547 54.000 -0.381 0.000 0.830 172 D CB 1.921 42.678 40.800 -0.071 0.000 1.109 172 D HN 0.479 nan 8.370 nan 0.000 0.496 173 P HA -0.120 nan 4.420 nan 0.000 0.222 173 P C 1.734 179.079 177.300 0.074 0.000 1.142 173 P CA 0.517 63.623 63.100 0.009 0.000 0.788 173 P CB 0.559 32.319 31.700 0.100 0.000 0.767 174 L N -1.119 120.110 121.223 0.011 0.000 2.201 174 L HA -0.039 4.301 4.340 -0.001 0.000 0.212 174 L C 1.833 178.823 176.870 0.200 0.000 1.105 174 L CA 0.907 55.783 54.840 0.060 0.000 0.775 174 L CB -0.429 41.503 42.059 -0.212 0.000 0.913 174 L HN -0.063 nan 8.230 nan 0.000 0.440 175 L N -0.051 121.195 121.223 0.039 0.000 3.029 175 L HA 0.081 4.421 4.340 -0.001 0.000 0.231 175 L C 1.618 178.682 176.870 0.322 0.000 1.327 175 L CA -0.279 54.669 54.840 0.179 0.000 1.166 175 L CB 0.025 42.011 42.059 -0.123 0.000 1.532 175 L HN 0.164 nan 8.230 nan 0.000 0.473 176 E N 2.231 122.612 120.200 0.302 0.000 2.086 176 E HA -0.212 4.137 4.350 -0.001 0.000 0.205 176 E C -0.651 176.050 176.600 0.168 0.000 1.027 176 E CA 1.865 58.428 56.400 0.271 0.000 0.830 176 E CB -0.697 29.121 29.700 0.196 0.000 0.751 176 E HN 0.371 nan 8.360 nan 0.000 0.456 177 P HA -0.048 nan 4.420 nan 0.000 0.229 177 P C -0.387 176.732 177.300 -0.302 0.000 1.150 177 P CA 0.787 63.748 63.100 -0.232 0.000 0.765 177 P CB -0.196 31.175 31.700 -0.548 0.000 0.783 178 F N -0.162 119.777 119.950 -0.018 0.000 2.575 178 F HA 0.384 4.911 4.527 -0.001 0.000 0.330 178 F C 1.047 176.911 175.800 0.106 0.000 1.056 178 F CA -1.293 56.736 58.000 0.049 0.000 0.964 178 F CB 1.165 40.209 39.000 0.074 0.000 1.258 178 F HN -0.405 nan 8.300 nan 0.000 0.484 179 K N 0.145 120.723 120.400 0.297 0.000 2.139 179 K HA 0.522 4.841 4.320 -0.001 0.000 0.243 179 K C 0.395 177.193 176.600 0.330 0.000 0.983 179 K CA -0.624 55.784 56.287 0.201 0.000 0.890 179 K CB 1.856 34.438 32.500 0.137 0.000 1.090 179 K HN 0.524 nan 8.250 nan 0.000 0.445 180 V N 1.498 121.597 119.914 0.308 0.000 2.343 180 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 180 V C 1.017 177.368 176.094 0.428 0.000 1.051 180 V CA 2.396 64.949 62.300 0.422 0.000 1.036 180 V CB -0.650 31.401 31.823 0.380 0.000 0.654 180 V HN 0.914 nan 8.190 nan 0.000 0.451 181 D N -0.446 120.176 120.400 0.369 0.000 2.310 181 D HA -0.119 4.520 4.640 -0.001 0.000 0.212 181 D C 2.123 178.696 176.300 0.454 0.000 0.965 181 D CA 1.194 55.460 54.000 0.444 0.000 0.879 181 D CB 0.003 41.064 40.800 0.435 0.000 0.921 181 D HN 0.657 nan 8.370 nan 0.000 0.510 182 E N 0.427 120.845 120.200 0.364 0.000 2.060 182 E HA -0.078 4.271 4.350 -0.001 0.000 0.189 182 E C 1.836 178.602 176.600 0.276 0.000 0.974 182 E CA 0.508 57.105 56.400 0.328 0.000 0.808 182 E CB -0.022 29.903 29.700 0.375 0.000 0.768 182 E HN 0.322 nan 8.360 nan 0.000 0.453 183 E N 0.462 120.842 120.200 0.300 0.000 2.097 183 E HA -0.216 4.134 4.350 -0.001 0.000 0.196 183 E C 1.818 178.528 176.600 0.183 0.000 1.000 183 E CA 1.070 57.624 56.400 0.256 0.000 0.804 183 E CB -0.169 29.756 29.700 0.375 0.000 0.740 183 E HN 0.149 nan 8.360 nan 0.000 0.454 184 F N 1.823 121.722 119.950 -0.085 0.000 2.146 184 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 184 F C 2.195 177.871 175.800 -0.206 0.000 1.096 184 F CA 1.408 59.100 58.000 -0.514 0.000 1.275 184 F CB -0.001 38.457 39.000 -0.904 0.000 1.008 184 F HN -0.233 nan 8.300 nan 0.000 0.480 185 K N 0.128 120.506 120.400 -0.038 0.000 2.097 185 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 185 K C 2.187 178.737 176.600 -0.083 0.000 1.049 185 K CA 1.156 57.467 56.287 0.040 0.000 0.933 185 K CB -0.374 32.306 32.500 0.299 0.000 0.717 185 K HN 0.306 nan 8.250 nan 0.000 0.442 186 A N 0.607 123.419 122.820 -0.014 0.000 1.969 186 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 186 A C 1.904 179.425 177.584 -0.104 0.000 1.169 186 A CA 1.097 53.120 52.037 -0.022 0.000 0.635 186 A CB -0.672 18.349 19.000 0.035 0.000 0.810 186 A HN 0.518 nan 8.150 nan 0.000 0.445 187 F N 0.866 120.644 119.950 -0.286 0.000 2.102 187 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 187 F C 2.069 177.604 175.800 -0.442 0.000 1.105 187 F CA 1.967 59.764 58.000 -0.338 0.000 1.239 187 F CB -0.380 38.370 39.000 -0.416 0.000 0.991 187 F HN 0.008 nan 8.300 nan 0.000 0.474 188 V N 0.383 119.822 119.914 -0.793 0.000 2.626 188 V HA -0.239 3.881 4.120 -0.001 0.000 0.252 188 V C 2.205 177.833 176.094 -0.777 0.000 1.067 188 V CA 2.044 63.804 62.300 -0.899 0.000 1.081 188 V CB -0.746 30.632 31.823 -0.742 0.000 0.686 188 V HN 0.356 nan 8.190 nan 0.000 0.468 189 E N 0.424 120.353 120.200 -0.451 0.000 2.047 189 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 189 E C 2.397 178.766 176.600 -0.384 0.000 0.987 189 E CA 1.239 57.483 56.400 -0.261 0.000 0.799 189 E CB -0.366 29.284 29.700 -0.085 0.000 0.752 189 E HN 0.576 nan 8.360 nan 0.000 0.449 190 A N 0.660 123.243 122.820 -0.395 0.000 1.883 190 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 190 A C 2.422 179.744 177.584 -0.437 0.000 1.186 190 A CA 1.519 53.331 52.037 -0.374 0.000 0.624 190 A CB -1.008 17.819 19.000 -0.288 0.000 0.822 190 A HN 0.410 nan 8.150 nan 0.000 0.444 191 C N -1.471 117.471 119.300 -0.597 0.000 2.429 191 C HA -0.085 4.375 4.460 -0.001 0.000 0.277 191 C C 2.624 177.437 174.990 -0.295 0.000 1.262 191 C CA 1.043 59.763 59.018 -0.496 0.000 1.733 191 C CB -1.566 25.785 27.740 -0.649 0.000 2.010 191 C HN 0.687 nan 8.230 nan 0.000 0.483 192 H N 0.507 119.353 119.070 -0.372 0.000 2.357 192 H HA 0.024 4.579 4.556 -0.001 0.000 0.301 192 H C 2.190 177.266 175.328 -0.420 0.000 1.082 192 H CA 1.284 57.149 56.048 -0.305 0.000 1.342 192 H CB -0.670 28.999 29.762 -0.155 0.000 1.389 192 H HN 0.460 nan 8.280 nan 0.000 0.511 193 I N 0.434 120.636 120.570 -0.614 0.000 2.208 193 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 193 I C 1.826 177.711 176.117 -0.388 0.000 1.097 193 I CA 1.133 61.952 61.300 -0.803 0.000 1.363 193 I CB -0.213 37.288 38.000 -0.832 0.000 1.051 193 I HN 0.127 nan 8.210 nan 0.000 0.413 194 L N 0.307 121.347 121.223 -0.305 0.000 2.599 194 L HA 0.118 4.458 4.340 -0.001 0.000 0.230 194 L C 1.556 178.332 176.870 -0.156 0.000 1.141 194 L CA 0.609 55.323 54.840 -0.209 0.000 0.877 194 L CB -0.418 41.552 42.059 -0.147 0.000 1.009 194 L HN 0.539 nan 8.230 nan 0.000 0.447 195 G N 0.667 109.371 108.800 -0.161 0.000 2.157 195 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.248 195 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.248 195 G C 0.234 175.067 174.900 -0.112 0.000 0.979 195 G CA -0.292 44.726 45.100 -0.136 0.000 0.650 195 G HN 0.291 nan 8.290 nan 0.000 0.529 196 I N 2.354 122.862 120.570 -0.103 0.000 2.312 196 I HA 0.330 4.499 4.170 -0.001 0.000 0.291 196 I C 1.017 177.108 176.117 -0.043 0.000 1.031 196 I CA -0.840 60.412 61.300 -0.080 0.000 1.293 196 I CB 0.631 38.562 38.000 -0.115 0.000 1.403 196 I HN 0.011 nan 8.210 nan 0.000 0.484 197 R N 5.130 125.613 120.500 -0.028 0.000 2.560 197 R HA 0.571 4.911 4.340 -0.001 0.000 0.270 197 R C -0.701 175.637 176.300 0.064 0.000 1.074 197 R CA -0.645 55.452 56.100 -0.005 0.000 1.140 197 R CB 1.276 31.524 30.300 -0.086 0.000 1.073 197 R HN 0.318 nan 8.270 nan 0.000 0.527 198 V N 3.350 123.322 119.914 0.097 0.000 2.540 198 V HA 0.486 4.605 4.120 -0.001 0.000 0.302 198 V C -0.021 176.176 176.094 0.171 0.000 1.035 198 V CA -0.695 61.669 62.300 0.107 0.000 0.873 198 V CB 1.836 33.669 31.823 0.018 0.000 0.992 198 V HN 0.562 nan 8.190 nan 0.000 0.428 199 I N 5.491 126.167 120.570 0.176 0.000 2.447 199 I HA 0.501 4.670 4.170 -0.001 0.000 0.287 199 I C -0.558 175.626 176.117 0.111 0.000 1.023 199 I CA -0.317 61.093 61.300 0.183 0.000 1.083 199 I CB 1.813 39.962 38.000 0.248 0.000 1.245 199 I HN 0.351 nan 8.210 nan 0.000 0.434 200 L N 4.282 125.546 121.223 0.068 0.000 2.335 200 L HA 0.598 4.938 4.340 -0.001 0.000 0.268 200 L C -0.430 176.228 176.870 -0.353 0.000 1.016 200 L CA -0.737 53.968 54.840 -0.224 0.000 0.805 200 L CB 1.575 43.421 42.059 -0.356 0.000 1.311 200 L HN 0.557 nan 8.230 nan 0.000 0.456 201 D N 0.110 120.097 120.400 -0.689 0.000 2.498 201 D HA 0.519 5.158 4.640 -0.001 0.000 0.247 201 D C -1.663 174.131 176.300 -0.842 0.000 1.070 201 D CA -0.208 53.499 54.000 -0.490 0.000 0.842 201 D CB 1.897 42.594 40.800 -0.171 0.000 1.361 201 D HN 0.146 nan 8.370 nan 0.000 0.484 202 F N 1.850 121.846 119.950 0.075 0.000 2.588 202 F HA 0.480 5.007 4.527 -0.001 0.000 0.310 202 F C -0.267 175.606 175.800 0.123 0.000 1.082 202 F CA -0.996 57.047 58.000 0.071 0.000 0.929 202 F CB 1.539 40.587 39.000 0.080 0.000 1.254 202 F HN 0.085 nan 8.300 nan 0.000 0.455 203 I N 2.798 123.554 120.570 0.310 0.000 2.537 203 I HA 0.367 4.536 4.170 -0.001 0.000 0.276 203 I C -2.145 174.107 176.117 0.225 0.000 1.063 203 I CA -1.574 59.879 61.300 0.254 0.000 1.144 203 I CB 1.008 39.157 38.000 0.248 0.000 1.252 203 I HN 0.297 nan 8.210 nan 0.000 0.480 204 P HA -0.146 nan 4.420 nan 0.000 0.215 204 P C 1.706 179.081 177.300 0.125 0.000 1.157 204 P CA 0.956 64.139 63.100 0.138 0.000 0.863 204 P CB 0.212 31.956 31.700 0.072 0.000 0.787 205 R N 0.397 120.983 120.500 0.142 0.000 2.293 205 R HA -0.038 4.302 4.340 -0.001 0.000 0.219 205 R C 0.604 177.053 176.300 0.247 0.000 1.091 205 R CA 1.329 57.537 56.100 0.180 0.000 1.004 205 R CB -0.843 29.590 30.300 0.221 0.000 0.865 205 R HN 0.351 nan 8.270 nan 0.000 0.469 206 T N -4.076 110.601 114.554 0.205 0.000 2.773 206 T HA 0.858 5.208 4.350 -0.001 0.000 0.278 206 T C -0.686 174.098 174.700 0.141 0.000 1.011 206 T CA -0.492 61.706 62.100 0.163 0.000 1.014 206 T CB 1.922 70.861 68.868 0.118 0.000 1.293 206 T HN 0.127 nan 8.240 nan 0.000 0.554 207 A N -0.193 122.707 122.820 0.132 0.000 2.597 207 A HA 0.840 5.159 4.320 -0.001 0.000 0.292 207 A C -0.170 177.531 177.584 0.196 0.000 1.057 207 A CA -0.643 51.510 52.037 0.192 0.000 0.674 207 A CB 0.482 19.627 19.000 0.243 0.000 1.278 207 A HN 1.722 nan 8.150 nan 0.000 0.416 208 A N 0.585 123.533 122.820 0.213 0.000 2.492 208 A HA 0.444 4.763 4.320 -0.001 0.000 0.236 208 A C 1.167 178.869 177.584 0.196 0.000 1.078 208 A CA -0.036 52.113 52.037 0.188 0.000 0.773 208 A CB 0.025 19.133 19.000 0.180 0.000 1.023 208 A HN 0.799 nan 8.150 nan 0.000 0.504 209 R N 0.634 121.233 120.500 0.166 0.000 2.120 209 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 209 R C -0.016 176.344 176.300 0.101 0.000 1.123 209 R CA 1.639 57.817 56.100 0.131 0.000 0.975 209 R CB -0.392 30.042 30.300 0.224 0.000 0.866 209 R HN 0.890 nan 8.270 nan 0.000 0.446 210 D N -0.777 119.699 120.400 0.127 0.000 2.892 210 D HA 0.026 4.665 4.640 -0.001 0.000 0.291 210 D C -0.316 176.031 176.300 0.077 0.000 1.341 210 D CA -0.359 53.686 54.000 0.075 0.000 0.844 210 D CB -0.005 40.852 40.800 0.096 0.000 1.093 210 D HN -0.231 nan 8.370 nan 0.000 0.480 211 S N 0.174 115.940 115.700 0.111 0.000 2.573 211 S HA -0.105 4.365 4.470 -0.001 0.000 0.297 211 S C 0.988 175.670 174.600 0.136 0.000 1.280 211 S CA -0.054 58.271 58.200 0.208 0.000 1.061 211 S CB 0.553 64.051 63.200 0.496 0.000 0.812 211 S HN 0.108 nan 8.310 nan 0.000 0.500 212 D N 3.457 123.955 120.400 0.163 0.000 2.263 212 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 212 D C 1.550 177.928 176.300 0.130 0.000 0.971 212 D CA 0.951 55.027 54.000 0.126 0.000 0.867 212 D CB -0.142 40.739 40.800 0.135 0.000 0.929 212 D HN 0.593 nan 8.370 nan 0.000 0.492 213 L N 0.225 121.575 121.223 0.211 0.000 2.622 213 L HA -0.007 4.332 4.340 -0.001 0.000 0.233 213 L C 2.135 179.128 176.870 0.205 0.000 1.156 213 L CA 0.073 55.044 54.840 0.218 0.000 0.866 213 L CB -0.117 42.137 42.059 0.324 0.000 0.980 213 L HN 0.025 nan 8.230 nan 0.000 0.448 214 I N -0.510 120.095 120.570 0.060 0.000 2.353 214 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 214 I C 2.671 178.882 176.117 0.156 0.000 1.119 214 I CA 1.025 62.298 61.300 -0.045 0.000 1.417 214 I CB -0.155 37.713 38.000 -0.221 0.000 1.078 214 I HN 0.217 nan 8.210 nan 0.000 0.421 215 R N 0.499 121.068 120.500 0.114 0.000 2.073 215 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 215 R C 1.944 178.290 176.300 0.077 0.000 1.134 215 R CA 1.229 57.385 56.100 0.092 0.000 0.952 215 R CB -0.120 30.156 30.300 -0.041 0.000 0.850 215 R HN 0.293 nan 8.270 nan 0.000 0.433 216 E N -0.745 119.407 120.200 -0.080 0.000 2.400 216 E HA 0.013 4.362 4.350 -0.001 0.000 0.195 216 E C 0.117 176.315 176.600 -0.671 0.000 1.012 216 E CA 0.662 56.864 56.400 -0.329 0.000 0.875 216 E CB 0.525 29.968 29.700 -0.428 0.000 0.859 216 E HN 0.426 nan 8.360 nan 0.000 0.498 217 H N 0.021 118.971 119.070 -0.200 0.000 2.712 217 H HA 0.149 4.704 4.556 -0.001 0.000 0.226 217 H C -1.812 173.478 175.328 -0.063 0.000 1.422 217 H CA -1.297 54.491 56.048 -0.433 0.000 1.270 217 H CB 1.041 29.978 29.762 -1.375 0.000 1.891 217 H HN 0.007 nan 8.280 nan 0.000 0.518 218 P HA -0.144 nan 4.420 nan 0.000 0.221 218 P C 0.805 178.282 177.300 0.295 0.000 1.145 218 P CA 1.167 64.308 63.100 0.068 0.000 0.795 218 P CB 0.303 31.659 31.700 -0.575 0.000 0.775 219 D N -2.659 117.864 120.400 0.205 0.000 2.319 219 D HA -0.087 4.552 4.640 -0.001 0.000 0.230 219 D C 0.863 177.438 176.300 0.458 0.000 1.094 219 D CA -0.085 54.081 54.000 0.277 0.000 0.856 219 D CB -0.831 40.061 40.800 0.153 0.000 0.915 219 D HN 0.169 nan 8.370 nan 0.000 0.517 220 W N 0.158 121.609 121.300 0.251 0.000 3.278 220 W HA 0.307 4.966 4.660 -0.001 0.000 0.308 220 W C -0.112 176.246 176.519 -0.268 0.000 1.253 220 W CA -0.785 56.545 57.345 -0.025 0.000 1.759 220 W CB -0.285 29.116 29.460 -0.097 0.000 1.093 220 W HN -0.185 nan 8.180 nan 0.000 0.648 221 F N -1.551 118.502 119.950 0.171 0.000 2.594 221 F HA 0.479 5.005 4.527 -0.001 0.000 0.335 221 F C -0.158 175.492 175.800 -0.250 0.000 1.058 221 F CA -1.814 56.165 58.000 -0.036 0.000 0.981 221 F CB 0.244 39.147 39.000 -0.162 0.000 1.289 221 F HN -0.429 nan 8.300 nan 0.000 0.490 222 Y N -1.088 119.149 120.300 -0.106 0.000 2.488 222 Y HA 0.539 5.088 4.550 -0.001 0.000 0.325 222 Y C -1.064 174.542 175.900 -0.490 0.000 1.204 222 Y CA -1.080 56.984 58.100 -0.059 0.000 1.229 222 Y CB 1.321 39.832 38.460 0.085 0.000 1.274 222 Y HN 0.431 nan 8.280 nan 0.000 0.493 223 W N 2.521 124.081 121.300 0.434 0.000 3.127 223 W HA 0.737 5.397 4.660 -0.001 0.000 0.330 223 W C -1.184 175.466 176.519 0.218 0.000 1.187 223 W CA -0.855 56.638 57.345 0.246 0.000 1.198 223 W CB 1.468 31.002 29.460 0.123 0.000 1.408 223 W HN 0.336 nan 8.180 nan 0.000 0.529 224 I N -1.062 119.630 120.570 0.204 0.000 2.969 224 I HA 0.603 4.773 4.170 -0.001 0.000 0.307 224 I C -0.671 175.483 176.117 0.062 0.000 1.149 224 I CA -1.770 59.515 61.300 -0.025 0.000 1.008 224 I CB 1.999 39.791 38.000 -0.348 0.000 1.232 224 I HN 0.268 nan 8.210 nan 0.000 0.435 225 K N 2.588 123.010 120.400 0.037 0.000 2.451 225 K HA 0.146 4.465 4.320 -0.001 0.000 0.280 225 K C 0.854 177.489 176.600 0.058 0.000 1.020 225 K CA -0.379 55.948 56.287 0.068 0.000 1.008 225 K CB 1.546 34.078 32.500 0.053 0.000 0.917 225 K HN 0.485 nan 8.250 nan 0.000 0.478 226 V N 3.107 123.073 119.914 0.085 0.000 2.324 226 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 226 V C 2.213 178.346 176.094 0.065 0.000 1.060 226 V CA 2.084 64.433 62.300 0.083 0.000 1.042 226 V CB -0.575 31.306 31.823 0.097 0.000 0.650 226 V HN 0.881 nan 8.190 nan 0.000 0.450 227 E N -0.005 120.230 120.200 0.058 0.000 2.463 227 E HA -0.207 4.142 4.350 -0.001 0.000 0.201 227 E C 1.295 177.924 176.600 0.049 0.000 1.045 227 E CA 0.872 57.303 56.400 0.051 0.000 0.872 227 E CB -0.306 29.421 29.700 0.044 0.000 0.797 227 E HN 0.609 nan 8.360 nan 0.000 0.538 228 E N 0.422 120.650 120.200 0.046 0.000 2.501 228 E HA 0.104 4.453 4.350 -0.001 0.000 0.201 228 E C 1.635 178.283 176.600 0.080 0.000 1.016 228 E CA -0.306 56.127 56.400 0.054 0.000 0.920 228 E CB 0.172 29.892 29.700 0.033 0.000 1.023 228 E HN 0.192 nan 8.360 nan 0.000 0.474 229 L N 1.062 122.324 121.223 0.064 0.000 2.005 229 L HA -0.101 4.238 4.340 -0.001 0.000 0.207 229 L C 2.101 179.035 176.870 0.107 0.000 1.072 229 L CA 1.940 56.820 54.840 0.067 0.000 0.744 229 L CB -0.913 41.190 42.059 0.073 0.000 0.895 229 L HN 0.062 nan 8.230 nan 0.000 0.433 230 A N -0.234 122.641 122.820 0.091 0.000 1.903 230 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 230 A C 1.488 179.120 177.584 0.080 0.000 1.191 230 A CA 2.258 54.344 52.037 0.082 0.000 0.638 230 A CB -0.683 18.355 19.000 0.063 0.000 0.823 230 A HN 0.586 nan 8.150 nan 0.000 0.451 231 D N -2.533 117.915 120.400 0.080 0.000 2.427 231 D HA 0.197 4.837 4.640 -0.001 0.000 0.224 231 D C -0.396 175.945 176.300 0.069 0.000 1.157 231 D CA -0.226 53.806 54.000 0.054 0.000 0.828 231 D CB -0.285 40.531 40.800 0.028 0.000 0.974 231 D HN 0.490 nan 8.370 nan 0.000 0.498 232 Y N 2.371 122.675 120.300 0.007 0.000 2.480 232 Y HA 0.290 4.839 4.550 -0.001 0.000 0.341 232 Y C 0.255 176.166 175.900 0.018 0.000 1.031 232 Y CA -0.087 58.031 58.100 0.029 0.000 1.295 232 Y CB 0.131 38.608 38.460 0.028 0.000 1.162 232 Y HN -0.095 nan 8.280 nan 0.000 0.523 233 T N 4.978 119.293 114.554 -0.398 0.000 2.868 233 T HA 0.480 4.829 4.350 -0.001 0.000 0.306 233 T C -3.239 171.049 174.700 -0.685 0.000 1.224 233 T CA -2.230 59.632 62.100 -0.397 0.000 1.012 233 T CB 1.898 70.618 68.868 -0.247 0.000 1.221 233 T HN 0.395 nan 8.240 nan 0.000 0.499 234 P HA 0.263 nan 4.420 nan 0.000 0.270 234 P C -2.449 174.483 177.300 -0.614 0.000 1.242 234 P CA -1.091 61.303 63.100 -1.178 0.000 0.768 234 P CB -0.398 30.467 31.700 -1.391 0.000 0.820 235 P HA 0.065 nan 4.420 nan 0.000 0.261 235 P C 0.107 177.307 177.300 -0.168 0.000 1.203 235 P CA 0.403 63.311 63.100 -0.320 0.000 0.767 235 P CB 0.633 32.141 31.700 -0.321 0.000 0.785 236 R N 2.535 122.935 120.500 -0.167 0.000 2.577 236 R HA 0.618 4.957 4.340 -0.001 0.000 0.269 236 R C 0.259 176.486 176.300 -0.121 0.000 1.084 236 R CA -0.510 55.504 56.100 -0.144 0.000 1.163 236 R CB 0.819 31.030 30.300 -0.148 0.000 1.100 236 R HN 0.490 nan 8.270 nan 0.000 0.547 237 A N 1.707 124.454 122.820 -0.121 0.000 3.158 237 A HA 0.162 4.482 4.320 -0.001 0.000 0.302 237 A C 0.309 177.836 177.584 -0.096 0.000 1.162 237 A CA -0.640 51.334 52.037 -0.104 0.000 0.824 237 A CB 0.498 19.434 19.000 -0.107 0.000 1.322 237 A HN 0.757 nan 8.150 nan 0.000 0.510 238 E N 1.534 121.681 120.200 -0.088 0.000 2.114 238 E HA -0.263 4.086 4.350 -0.001 0.000 0.199 238 E C 1.652 178.215 176.600 -0.062 0.000 1.008 238 E CA 1.775 58.129 56.400 -0.077 0.000 0.810 238 E CB -0.004 29.653 29.700 -0.071 0.000 0.739 238 E HN 0.932 nan 8.360 nan 0.000 0.456 239 E N 1.153 121.318 120.200 -0.058 0.000 2.463 239 E HA -0.118 4.232 4.350 -0.001 0.000 0.201 239 E C 0.727 177.299 176.600 -0.047 0.000 1.045 239 E CA 0.331 56.702 56.400 -0.048 0.000 0.872 239 E CB -0.280 29.392 29.700 -0.046 0.000 0.797 239 E HN 0.247 nan 8.360 nan 0.000 0.538 240 L N 1.161 122.350 121.223 -0.056 0.000 2.334 240 L HA 0.447 4.786 4.340 -0.001 0.000 0.272 240 L C -2.180 174.666 176.870 -0.041 0.000 1.020 240 L CA -2.601 52.205 54.840 -0.055 0.000 0.812 240 L CB 1.289 43.301 42.059 -0.079 0.000 1.264 240 L HN -0.207 nan 8.230 nan 0.000 0.439 241 P HA -0.056 nan 4.420 nan 0.000 0.271 241 P C -0.825 176.499 177.300 0.041 0.000 1.244 241 P CA -0.218 62.882 63.100 -0.000 0.000 0.793 241 P CB 0.324 32.010 31.700 -0.023 0.000 0.984 242 F N 2.265 122.155 119.950 -0.100 0.000 2.451 242 F HA 0.395 4.921 4.527 -0.001 0.000 0.356 242 F C 0.171 175.907 175.800 -0.106 0.000 1.178 242 F CA -0.673 57.259 58.000 -0.114 0.000 1.210 242 F CB -0.908 38.038 39.000 -0.090 0.000 1.504 242 F HN 0.213 nan 8.300 nan 0.000 0.598 243 K N 2.318 122.632 120.400 -0.143 0.000 2.614 243 K HA 0.565 4.885 4.320 -0.001 0.000 0.293 243 K C -2.065 174.431 176.600 -0.174 0.000 1.045 243 K CA -1.142 54.989 56.287 -0.259 0.000 0.880 243 K CB 1.025 33.405 32.500 -0.199 0.000 1.552 243 K HN -0.025 nan 8.250 nan 0.000 0.404 244 V N 3.169 123.006 119.914 -0.128 0.000 2.470 244 V HA 0.236 4.356 4.120 -0.001 0.000 0.276 244 V C -1.839 174.237 176.094 -0.029 0.000 1.040 244 V CA -1.181 61.086 62.300 -0.054 0.000 1.008 244 V CB 0.448 32.286 31.823 0.026 0.000 0.990 244 V HN 0.688 nan 8.190 nan 0.000 0.477 245 P HA 0.137 nan 4.420 nan 0.000 0.269 245 P C -0.834 176.521 177.300 0.091 0.000 1.209 245 P CA -0.235 62.846 63.100 -0.031 0.000 0.776 245 P CB 0.811 32.452 31.700 -0.099 0.000 0.876 246 D N 0.293 120.752 120.400 0.098 0.000 2.507 246 D HA 0.097 4.736 4.640 -0.001 0.000 0.280 246 D C 1.185 177.612 176.300 0.210 0.000 1.219 246 D CA -0.378 53.744 54.000 0.203 0.000 1.085 246 D CB 0.052 40.925 40.800 0.121 0.000 1.134 246 D HN 0.197 nan 8.370 nan 0.000 0.583 247 E N -0.324 120.032 120.200 0.260 0.000 2.031 247 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 247 E C 1.437 178.137 176.600 0.167 0.000 0.994 247 E CA 1.150 57.702 56.400 0.253 0.000 0.800 247 E CB -0.357 29.483 29.700 0.233 0.000 0.752 247 E HN 0.445 nan 8.360 nan 0.000 0.447 248 D N 0.527 120.999 120.400 0.119 0.000 2.123 248 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 248 D C 1.811 178.142 176.300 0.052 0.000 0.992 248 D CA 1.028 55.078 54.000 0.084 0.000 0.833 248 D CB -0.193 40.640 40.800 0.056 0.000 0.954 248 D HN 0.349 nan 8.370 nan 0.000 0.455 249 E N 0.307 120.527 120.200 0.034 0.000 2.204 249 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 249 E C 2.354 178.945 176.600 -0.015 0.000 0.989 249 E CA 0.168 56.564 56.400 -0.008 0.000 0.824 249 E CB -0.027 29.659 29.700 -0.024 0.000 0.756 249 E HN 0.271 nan 8.360 nan 0.000 0.477 250 L N 0.746 121.994 121.223 0.040 0.000 2.046 250 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 250 L C 2.595 179.496 176.870 0.052 0.000 1.077 250 L CA 1.268 56.182 54.840 0.124 0.000 0.747 250 L CB -0.346 41.865 42.059 0.253 0.000 0.896 250 L HN 0.184 nan 8.230 nan 0.000 0.432 251 E N 0.672 120.831 120.200 -0.068 0.000 2.110 251 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 251 E C 2.257 178.660 176.600 -0.330 0.000 0.988 251 E CA 1.213 57.346 56.400 -0.447 0.000 0.804 251 E CB 0.024 29.655 29.700 -0.115 0.000 0.745 251 E HN 0.478 nan 8.360 nan 0.000 0.458 252 I N 0.549 121.026 120.570 -0.155 0.000 2.233 252 I HA -0.243 3.927 4.170 -0.001 0.000 0.243 252 I C 2.370 178.406 176.117 -0.136 0.000 1.093 252 I CA 0.739 61.964 61.300 -0.126 0.000 1.380 252 I CB -0.184 37.767 38.000 -0.082 0.000 1.067 252 I HN 0.162 nan 8.210 nan 0.000 0.413 253 I N -0.058 120.429 120.570 -0.138 0.000 2.194 253 I HA -0.345 3.824 4.170 -0.001 0.000 0.246 253 I C 2.238 178.210 176.117 -0.241 0.000 1.093 253 I CA 1.898 63.087 61.300 -0.184 0.000 1.355 253 I CB -0.405 37.467 38.000 -0.214 0.000 1.046 253 I HN 0.210 nan 8.210 nan 0.000 0.413 254 Y N 0.284 120.452 120.300 -0.220 0.000 2.571 254 Y HA -0.072 4.477 4.550 -0.001 0.000 0.294 254 Y C 1.958 177.736 175.900 -0.203 0.000 1.141 254 Y CA 0.680 58.648 58.100 -0.221 0.000 1.308 254 Y CB -0.211 38.061 38.460 -0.313 0.000 1.002 254 Y HN 0.217 nan 8.280 nan 0.000 0.551 255 N N -0.141 118.502 118.700 -0.096 0.000 2.270 255 N HA -0.009 4.730 4.740 -0.001 0.000 0.198 255 N C -0.145 175.326 175.510 -0.064 0.000 1.117 255 N CA 0.306 53.308 53.050 -0.079 0.000 0.845 255 N CB 0.284 38.710 38.487 -0.102 0.000 0.980 255 N HN 0.059 nan 8.380 nan 0.000 0.486 256 K N 1.071 121.425 120.400 -0.076 0.000 2.185 256 K HA 0.071 4.390 4.320 -0.001 0.000 0.271 256 K C 1.059 177.627 176.600 -0.053 0.000 1.013 256 K CA -0.156 56.089 56.287 -0.070 0.000 0.943 256 K CB 1.637 34.084 32.500 -0.089 0.000 0.998 256 K HN -0.080 nan 8.250 nan 0.000 0.468 257 E N 2.009 122.183 120.200 -0.043 0.000 2.072 257 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 257 E C 1.282 177.864 176.600 -0.030 0.000 0.985 257 E CA 1.534 57.916 56.400 -0.030 0.000 0.801 257 E CB 0.023 29.707 29.700 -0.027 0.000 0.750 257 E HN 0.619 nan 8.360 nan 0.000 0.452 258 N N -0.127 118.546 118.700 -0.045 0.000 2.309 258 N HA -0.112 4.627 4.740 -0.001 0.000 0.182 258 N C 1.728 177.216 175.510 -0.038 0.000 1.018 258 N CA 1.338 54.360 53.050 -0.047 0.000 0.876 258 N CB -0.570 37.873 38.487 -0.074 0.000 0.972 258 N HN 0.116 nan 8.380 nan 0.000 0.434 259 V N 1.264 121.143 119.914 -0.058 0.000 2.379 259 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 259 V C 2.447 178.544 176.094 0.004 0.000 1.044 259 V CA 1.505 63.770 62.300 -0.059 0.000 1.036 259 V CB -0.517 31.214 31.823 -0.154 0.000 0.664 259 V HN 0.285 nan 8.190 nan 0.000 0.453 260 K N -0.105 120.290 120.400 -0.008 0.000 2.097 260 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 260 K C 2.362 178.977 176.600 0.025 0.000 1.049 260 K CA 1.192 57.484 56.287 0.009 0.000 0.933 260 K CB -0.213 32.291 32.500 0.008 0.000 0.717 260 K HN 0.390 nan 8.250 nan 0.000 0.442 261 R N -0.277 120.240 120.500 0.028 0.000 2.115 261 R HA -0.123 4.217 4.340 -0.001 0.000 0.226 261 R C 2.227 178.566 176.300 0.065 0.000 1.100 261 R CA 1.188 57.309 56.100 0.035 0.000 0.980 261 R CB -0.316 29.997 30.300 0.020 0.000 0.875 261 R HN 0.324 nan 8.270 nan 0.000 0.445 262 H N 1.393 120.452 119.070 -0.018 0.000 2.270 262 H HA -0.053 4.503 4.556 -0.001 0.000 0.299 262 H C 1.924 177.343 175.328 0.152 0.000 1.077 262 H CA 1.716 57.772 56.048 0.013 0.000 1.294 262 H CB -0.396 29.340 29.762 -0.043 0.000 1.371 262 H HN 0.014 nan 8.280 nan 0.000 0.491 263 L N 0.187 121.411 121.223 0.002 0.000 2.189 263 L HA -0.201 4.138 4.340 -0.001 0.000 0.214 263 L C 2.457 179.406 176.870 0.132 0.000 1.097 263 L CA 1.760 56.593 54.840 -0.013 0.000 0.764 263 L CB -0.426 41.539 42.059 -0.155 0.000 0.900 263 L HN 0.308 nan 8.230 nan 0.000 0.436 264 K N 0.502 120.945 120.400 0.073 0.000 2.525 264 K HA -0.066 4.254 4.320 -0.001 0.000 0.192 264 K C 1.611 178.251 176.600 0.067 0.000 1.029 264 K CA 0.378 56.714 56.287 0.082 0.000 1.029 264 K CB 0.230 32.761 32.500 0.052 0.000 0.814 264 K HN 0.288 nan 8.250 nan 0.000 0.503 265 K N -0.312 120.081 120.400 -0.011 0.000 2.365 265 K HA 0.040 4.359 4.320 -0.001 0.000 0.197 265 K C -0.092 176.398 176.600 -0.184 0.000 1.042 265 K CA 0.191 56.394 56.287 -0.139 0.000 0.987 265 K CB 0.185 32.535 32.500 -0.249 0.000 0.779 265 K HN -0.034 nan 8.250 nan 0.000 0.484 266 F N 1.361 121.373 119.950 0.102 0.000 2.382 266 F HA 0.087 4.614 4.527 -0.001 0.000 0.331 266 F C 1.346 177.253 175.800 0.178 0.000 1.121 266 F CA -0.349 57.752 58.000 0.168 0.000 1.183 266 F CB 0.883 40.011 39.000 0.214 0.000 1.207 266 F HN -0.088 nan 8.300 nan 0.000 0.555 267 T N -0.338 114.468 114.554 0.419 0.000 2.773 267 T HA 0.733 5.082 4.350 -0.001 0.000 0.278 267 T C -0.626 174.244 174.700 0.283 0.000 1.011 267 T CA -1.019 61.255 62.100 0.289 0.000 1.014 267 T CB 0.863 69.859 68.868 0.213 0.000 1.293 267 T HN 0.436 nan 8.240 nan 0.000 0.554 268 L N 1.078 122.393 121.223 0.154 0.000 2.399 268 L HA 0.508 4.847 4.340 -0.001 0.000 0.265 268 L C -2.240 174.578 176.870 -0.087 0.000 1.089 268 L CA -2.600 52.289 54.840 0.082 0.000 0.802 268 L CB 0.777 42.858 42.059 0.037 0.000 1.180 268 L HN 0.498 nan 8.230 nan 0.000 0.454 269 P HA 0.002 nan 4.420 nan 0.000 0.269 269 P C -1.993 174.838 177.300 -0.782 0.000 1.217 269 P CA -0.891 61.840 63.100 -0.616 0.000 0.783 269 P CB -0.004 31.495 31.700 -0.335 0.000 0.898 270 P HA -0.203 nan 4.420 nan 0.000 0.220 270 P C 0.755 177.536 177.300 -0.866 0.000 1.148 270 P CA 1.729 64.008 63.100 -1.369 0.000 0.803 270 P CB -0.354 30.076 31.700 -2.116 0.000 0.782 271 N N 0.234 118.288 118.700 -1.077 0.000 2.188 271 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 271 N C 1.873 177.251 175.510 -0.220 0.000 1.018 271 N CA 0.850 53.477 53.050 -0.706 0.000 0.858 271 N CB -1.254 36.767 38.487 -0.776 0.000 0.989 271 N HN 0.132 nan 8.380 nan 0.000 0.426 272 L N -0.264 120.830 121.223 -0.215 0.000 2.509 272 L HA 0.213 4.553 4.340 -0.001 0.000 0.222 272 L C 1.833 178.693 176.870 -0.017 0.000 1.123 272 L CA 0.222 55.014 54.840 -0.081 0.000 0.856 272 L CB -0.100 41.915 42.059 -0.074 0.000 0.985 272 L HN 0.260 nan 8.230 nan 0.000 0.456 273 I N -0.724 119.852 120.570 0.010 0.000 2.296 273 I HA -0.082 4.088 4.170 -0.001 0.000 0.242 273 I C 0.623 176.807 176.117 0.112 0.000 1.087 273 I CA 1.095 62.452 61.300 0.095 0.000 1.393 273 I CB 0.392 38.513 38.000 0.200 0.000 1.093 273 I HN 0.115 nan 8.210 nan 0.000 0.421 274 D N -0.421 120.100 120.400 0.200 0.000 2.381 274 D HA 0.171 4.810 4.640 -0.001 0.000 0.245 274 D C -2.069 174.352 176.300 0.203 0.000 1.297 274 D CA -1.670 52.401 54.000 0.119 0.000 0.931 274 D CB 1.360 42.132 40.800 -0.046 0.000 1.334 274 D HN -0.162 nan 8.370 nan 0.000 0.535 275 P HA -0.193 nan 4.420 nan 0.000 0.217 275 P C 1.309 178.716 177.300 0.179 0.000 1.151 275 P CA 1.072 64.275 63.100 0.172 0.000 0.849 275 P CB 0.406 32.166 31.700 0.100 0.000 0.787 276 Q N -0.009 119.858 119.800 0.112 0.000 2.083 276 Q HA -0.166 4.174 4.340 -0.001 0.000 0.198 276 Q C 2.127 178.180 176.000 0.088 0.000 0.969 276 Q CA 1.562 57.409 55.803 0.073 0.000 0.838 276 Q CB -0.363 28.393 28.738 0.030 0.000 0.900 276 Q HN 0.188 nan 8.270 nan 0.000 0.436 277 K N -0.215 120.251 120.400 0.111 0.000 2.057 277 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 277 K C 1.964 178.757 176.600 0.321 0.000 1.050 277 K CA 1.124 57.480 56.287 0.116 0.000 0.935 277 K CB -0.439 32.003 32.500 -0.097 0.000 0.715 277 K HN 0.368 nan 8.250 nan 0.000 0.439 278 W N 1.907 123.354 121.300 0.246 0.000 2.333 278 W HA -0.253 4.406 4.660 -0.001 0.000 0.316 278 W C 1.464 178.012 176.519 0.050 0.000 1.215 278 W CA 1.211 58.651 57.345 0.158 0.000 1.278 278 W CB 0.041 29.532 29.460 0.053 0.000 1.154 278 W HN 0.115 nan 8.180 nan 0.000 0.486 279 E N 0.666 120.831 120.200 -0.057 0.000 2.209 279 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 279 E C 1.849 178.332 176.600 -0.196 0.000 0.993 279 E CA 1.422 57.694 56.400 -0.213 0.000 0.819 279 E CB -0.302 29.360 29.700 -0.063 0.000 0.745 279 E HN 0.498 nan 8.360 nan 0.000 0.477 280 K N 0.509 120.851 120.400 -0.097 0.000 1.980 280 K HA -0.066 4.254 4.320 -0.001 0.000 0.208 280 K C 2.493 179.021 176.600 -0.120 0.000 1.043 280 K CA 1.495 57.734 56.287 -0.079 0.000 0.938 280 K CB -0.454 32.031 32.500 -0.024 0.000 0.724 280 K HN 0.178 nan 8.250 nan 0.000 0.438 281 I N -0.086 120.426 120.570 -0.096 0.000 2.179 281 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 281 I C 2.397 178.347 176.117 -0.278 0.000 1.088 281 I CA 1.523 62.757 61.300 -0.110 0.000 1.357 281 I CB -0.529 37.489 38.000 0.030 0.000 1.051 281 I HN 0.077 nan 8.210 nan 0.000 0.409 282 K N 1.690 121.735 120.400 -0.593 0.000 2.242 282 K HA -0.219 4.100 4.320 -0.001 0.000 0.206 282 K C 2.002 178.360 176.600 -0.404 0.000 1.045 282 K CA 1.767 57.585 56.287 -0.782 0.000 0.930 282 K CB -0.184 31.558 32.500 -1.263 0.000 0.726 282 K HN 0.450 nan 8.250 nan 0.000 0.462 283 R N 1.083 121.410 120.500 -0.288 0.000 2.552 283 R HA 0.173 4.512 4.340 -0.001 0.000 0.314 283 R C -0.898 175.328 176.300 -0.123 0.000 1.041 283 R CA 0.001 55.992 56.100 -0.182 0.000 1.076 283 R CB -0.008 30.199 30.300 -0.155 0.000 1.290 283 R HN 0.190 nan 8.270 nan 0.000 0.563 284 E N 1.543 121.671 120.200 -0.120 0.000 2.222 284 E HA 0.121 4.470 4.350 -0.001 0.000 0.267 284 E C -0.562 176.005 176.600 -0.054 0.000 0.963 284 E CA -0.865 55.492 56.400 -0.073 0.000 0.837 284 E CB 1.339 31.006 29.700 -0.056 0.000 1.183 284 E HN 0.273 nan 8.360 nan 0.000 0.403 285 E N 0.938 121.117 120.200 -0.035 0.000 2.301 285 E HA 0.519 4.868 4.350 -0.001 0.000 0.275 285 E C 0.240 176.833 176.600 -0.012 0.000 1.030 285 E CA -0.687 55.700 56.400 -0.022 0.000 0.852 285 E CB 1.338 31.029 29.700 -0.016 0.000 1.060 285 E HN 0.684 nan 8.360 nan 0.000 0.401 286 G N 2.145 110.942 108.800 -0.005 0.000 2.440 286 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.684 286 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.684 286 G C -0.810 174.096 174.900 0.010 0.000 1.309 286 G CA -0.601 44.501 45.100 0.004 0.000 0.931 286 G HN 0.718 nan 8.290 nan 0.000 0.612 287 N N 0.087 118.799 118.700 0.018 0.000 2.411 287 N HA 0.015 4.754 4.740 -0.001 0.000 0.265 287 N C 1.781 177.315 175.510 0.039 0.000 1.266 287 N CA 0.239 53.306 53.050 0.028 0.000 0.889 287 N CB 0.616 39.120 38.487 0.027 0.000 1.069 287 N HN 0.760 nan 8.380 nan 0.000 0.476 288 I N 5.249 125.844 120.570 0.043 0.000 2.185 288 I HA -0.288 3.881 4.170 -0.001 0.000 0.246 288 I C 1.944 178.121 176.117 0.101 0.000 1.088 288 I CA 1.352 62.689 61.300 0.061 0.000 1.347 288 I CB -0.213 37.825 38.000 0.063 0.000 1.041 288 I HN 0.679 nan 8.210 nan 0.000 0.415 289 L N 0.347 121.631 121.223 0.101 0.000 2.109 289 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 289 L C 2.360 179.305 176.870 0.125 0.000 1.086 289 L CA 1.662 56.584 54.840 0.136 0.000 0.760 289 L CB -0.749 41.387 42.059 0.129 0.000 0.910 289 L HN 0.316 nan 8.230 nan 0.000 0.437 290 E N -0.677 119.573 120.200 0.084 0.000 2.077 290 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 290 E C 2.243 178.897 176.600 0.089 0.000 0.989 290 E CA 1.416 57.858 56.400 0.070 0.000 0.800 290 E CB -0.229 29.494 29.700 0.039 0.000 0.746 290 E HN 0.473 nan 8.360 nan 0.000 0.452 291 L N 0.753 122.029 121.223 0.088 0.000 2.012 291 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 291 L C 2.488 179.454 176.870 0.161 0.000 1.073 291 L CA 1.108 56.010 54.840 0.102 0.000 0.748 291 L CB -0.429 41.676 42.059 0.077 0.000 0.891 291 L HN 0.184 nan 8.230 nan 0.000 0.431 292 I N -1.072 119.600 120.570 0.170 0.000 2.315 292 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 292 I C 2.487 178.732 176.117 0.213 0.000 1.117 292 I CA 0.874 62.280 61.300 0.177 0.000 1.404 292 I CB -0.288 37.755 38.000 0.072 0.000 1.071 292 I HN 0.036 nan 8.210 nan 0.000 0.419 293 V N 1.244 121.270 119.914 0.186 0.000 2.295 293 V HA -0.319 3.800 4.120 -0.001 0.000 0.246 293 V C 2.585 178.772 176.094 0.155 0.000 1.049 293 V CA 2.047 64.451 62.300 0.174 0.000 1.024 293 V CB -0.667 31.241 31.823 0.143 0.000 0.648 293 V HN 0.431 nan 8.190 nan 0.000 0.447 294 K N -0.507 119.972 120.400 0.133 0.000 2.097 294 K HA -0.185 4.134 4.320 -0.001 0.000 0.205 294 K C 2.046 178.712 176.600 0.109 0.000 1.050 294 K CA 1.451 57.800 56.287 0.103 0.000 0.938 294 K CB 0.029 32.576 32.500 0.078 0.000 0.718 294 K HN 0.426 nan 8.250 nan 0.000 0.442 295 E N -0.684 119.620 120.200 0.174 0.000 2.190 295 E HA -0.042 4.308 4.350 -0.001 0.000 0.191 295 E C 1.274 177.933 176.600 0.099 0.000 0.978 295 E CA 0.780 57.266 56.400 0.143 0.000 0.839 295 E CB 0.152 29.991 29.700 0.232 0.000 0.787 295 E HN 0.294 nan 8.360 nan 0.000 0.473 296 F N -0.228 119.738 119.950 0.026 0.000 2.706 296 F HA 0.327 4.853 4.527 -0.001 0.000 0.313 296 F C 1.325 177.138 175.800 0.022 0.000 1.096 296 F CA 0.196 58.199 58.000 0.004 0.000 1.219 296 F CB 0.591 39.561 39.000 -0.050 0.000 1.051 296 F HN 0.014 nan 8.300 nan 0.000 0.568 297 G N 2.495 111.423 108.800 0.213 0.000 2.341 297 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.292 297 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.292 297 G C 0.148 175.148 174.900 0.167 0.000 1.021 297 G CA 0.890 46.082 45.100 0.153 0.000 0.905 297 G HN 0.547 nan 8.290 nan 0.000 0.508 298 I N -3.190 117.504 120.570 0.207 0.000 3.042 298 I HA 0.947 5.116 4.170 -0.001 0.000 0.310 298 I C -0.313 175.997 176.117 0.321 0.000 1.117 298 I CA -1.909 59.533 61.300 0.236 0.000 1.003 298 I CB 2.562 40.697 38.000 0.225 0.000 1.228 298 I HN 0.085 nan 8.210 nan 0.000 0.443 299 I N 1.405 122.199 120.570 0.373 0.000 3.066 299 I HA 0.407 4.577 4.170 -0.001 0.000 0.307 299 I C -0.467 175.695 176.117 0.075 0.000 1.366 299 I CA -0.371 61.112 61.300 0.305 0.000 0.972 299 I CB 2.784 40.888 38.000 0.172 0.000 1.307 299 I HN 0.952 nan 8.210 nan 0.000 0.470 300 T N 2.806 117.227 114.554 -0.221 0.000 2.913 300 T HA 0.481 4.831 4.350 -0.001 0.000 0.297 300 T C -2.571 171.962 174.700 -0.279 0.000 1.029 300 T CA -1.156 60.680 62.100 -0.440 0.000 1.104 300 T CB 0.767 69.377 68.868 -0.429 0.000 0.964 300 T HN 0.347 nan 8.240 nan 0.000 0.532 301 P HA 0.376 nan 4.420 nan 0.000 0.279 301 P C -2.721 174.364 177.300 -0.359 0.000 1.252 301 P CA -2.176 60.621 63.100 -0.505 0.000 0.811 301 P CB 0.182 31.488 31.700 -0.658 0.000 1.035 302 P HA 0.155 nan 4.420 nan 0.000 0.276 302 P C 0.355 177.574 177.300 -0.134 0.000 1.244 302 P CA 0.133 63.109 63.100 -0.206 0.000 0.801 302 P CB 0.560 32.179 31.700 -0.135 0.000 1.006 303 G N 0.541 109.213 108.800 -0.213 0.000 2.557 303 G HA2 0.650 4.610 3.960 -0.001 0.000 0.292 303 G HA3 0.650 4.610 3.960 -0.001 0.000 0.292 303 G C -1.014 173.601 174.900 -0.474 0.000 1.237 303 G CA -0.477 44.323 45.100 -0.500 0.000 0.978 303 G HN 0.573 nan 8.290 nan 0.000 0.498 304 F N -2.550 116.969 119.950 -0.717 0.000 2.799 304 F HA 0.642 5.168 4.527 -0.001 0.000 0.316 304 F C -0.310 174.903 175.800 -0.979 0.000 1.155 304 F CA -1.730 55.584 58.000 -1.143 0.000 0.916 304 F CB 0.798 39.521 39.000 -0.461 0.000 1.294 304 F HN 0.618 nan 8.300 nan 0.000 0.447 305 S N 0.725 116.193 115.700 -0.386 0.000 2.558 305 S HA 0.109 4.578 4.470 -0.001 0.000 0.287 305 S C 0.784 175.593 174.600 0.348 0.000 1.321 305 S CA 0.511 58.778 58.200 0.112 0.000 1.048 305 S CB 0.149 63.483 63.200 0.223 0.000 0.844 305 S HN 0.877 nan 8.310 nan 0.000 0.512 306 D N 2.843 123.439 120.400 0.327 0.000 2.339 306 D HA 0.077 4.716 4.640 -0.001 0.000 0.217 306 D C -0.149 176.279 176.300 0.214 0.000 1.050 306 D CA -0.013 54.193 54.000 0.343 0.000 0.856 306 D CB -0.245 40.692 40.800 0.228 0.000 0.922 306 D HN 0.270 nan 8.370 nan 0.000 0.518 307 L N 1.326 122.622 121.223 0.121 0.000 2.275 307 L HA 0.361 4.700 4.340 -0.001 0.000 0.288 307 L C 0.342 177.088 176.870 -0.207 0.000 1.046 307 L CA -0.756 54.062 54.840 -0.038 0.000 0.805 307 L CB 1.854 43.931 42.059 0.031 0.000 1.193 307 L HN -0.005 nan 8.230 nan 0.000 0.426 308 I N 4.416 124.665 120.570 -0.535 0.000 2.634 308 I HA 0.060 4.229 4.170 -0.001 0.000 0.284 308 I C 0.294 176.288 176.117 -0.205 0.000 1.124 308 I CA 0.348 61.213 61.300 -0.724 0.000 1.417 308 I CB 0.225 37.731 38.000 -0.823 0.000 1.396 308 I HN 0.799 nan 8.210 nan 0.000 0.571 309 N N 3.276 121.847 118.700 -0.215 0.000 2.850 309 N HA -0.198 4.541 4.740 -0.001 0.000 0.249 309 N C -0.434 174.877 175.510 -0.331 0.000 1.060 309 N CA 0.773 53.708 53.050 -0.191 0.000 0.825 309 N CB -1.376 37.034 38.487 -0.129 0.000 1.132 309 N HN 0.678 nan 8.380 nan 0.000 0.564 310 D N 1.657 121.913 120.400 -0.239 0.000 2.383 310 D HA 0.112 4.752 4.640 -0.001 0.000 0.252 310 D C -0.818 175.291 176.300 -0.319 0.000 1.166 310 D CA -1.010 52.776 54.000 -0.358 0.000 0.879 310 D CB 1.001 41.859 40.800 0.097 0.000 1.164 310 D HN 0.147 nan 8.370 nan 0.000 0.462 311 P HA -0.043 nan 4.420 nan 0.000 0.241 311 P C 0.279 177.512 177.300 -0.112 0.000 1.191 311 P CA 0.240 63.203 63.100 -0.228 0.000 0.771 311 P CB 0.154 31.708 31.700 -0.244 0.000 0.929 312 Q N 2.111 121.882 119.800 -0.048 0.000 2.392 312 Q HA 0.279 4.618 4.340 -0.001 0.000 0.262 312 Q C -1.938 174.085 176.000 0.038 0.000 1.003 312 Q CA -1.597 54.232 55.803 0.044 0.000 0.888 312 Q CB -0.468 28.367 28.738 0.160 0.000 1.260 312 Q HN 0.120 nan 8.270 nan 0.000 0.435 313 P HA -0.018 nan 4.420 nan 0.000 0.275 313 P C -0.368 176.978 177.300 0.077 0.000 1.270 313 P CA -0.282 62.847 63.100 0.049 0.000 0.791 313 P CB 0.277 32.011 31.700 0.056 0.000 1.089 314 T N -2.946 111.639 114.554 0.051 0.000 2.899 314 T HA 0.191 4.541 4.350 -0.001 0.000 0.295 314 T C -0.124 174.693 174.700 0.194 0.000 1.033 314 T CA -0.665 61.455 62.100 0.033 0.000 1.084 314 T CB 0.177 69.101 68.868 0.093 0.000 0.979 314 T HN 0.288 nan 8.240 nan 0.000 0.532 315 W N 2.569 123.906 121.300 0.062 0.000 2.072 315 W HA 0.285 4.944 4.660 -0.001 0.000 0.413 315 W C -0.147 176.325 176.519 -0.079 0.000 0.865 315 W CA -1.431 55.911 57.345 -0.005 0.000 1.579 315 W CB -1.223 28.221 29.460 -0.027 0.000 1.720 315 W HN 0.767 nan 8.180 nan 0.000 0.301 316 D N 0.798 121.255 120.400 0.095 0.000 2.309 316 D HA -0.174 4.466 4.640 -0.001 0.000 0.212 316 D C 1.475 177.662 176.300 -0.188 0.000 0.968 316 D CA 1.528 55.443 54.000 -0.141 0.000 0.882 316 D CB -0.061 40.666 40.800 -0.121 0.000 0.918 316 D HN 0.338 nan 8.370 nan 0.000 0.503 317 D N -0.030 120.399 120.400 0.048 0.000 2.340 317 D HA -0.018 4.621 4.640 -0.001 0.000 0.217 317 D C 0.561 176.921 176.300 0.100 0.000 1.081 317 D CA -0.153 53.925 54.000 0.130 0.000 0.842 317 D CB -0.192 40.729 40.800 0.203 0.000 0.934 317 D HN 0.138 nan 8.370 nan 0.000 0.511 318 V N -4.390 115.547 119.914 0.038 0.000 3.114 318 V HA 0.820 4.939 4.120 -0.001 0.000 0.308 318 V C -0.618 175.419 176.094 -0.096 0.000 1.168 318 V CA -0.662 61.649 62.300 0.018 0.000 1.015 318 V CB 1.768 33.609 31.823 0.032 0.000 1.050 318 V HN -0.002 nan 8.190 nan 0.000 0.433 319 T N 0.896 115.389 114.554 -0.102 0.000 2.864 319 T HA 0.784 5.133 4.350 -0.001 0.000 0.289 319 T C -1.317 173.266 174.700 -0.195 0.000 1.082 319 T CA -0.443 61.551 62.100 -0.177 0.000 1.009 319 T CB 1.503 70.368 68.868 -0.006 0.000 1.234 319 T HN 0.573 nan 8.240 nan 0.000 0.526 320 F N 1.053 121.035 119.950 0.055 0.000 2.403 320 F HA 0.612 5.138 4.527 -0.001 0.000 0.326 320 F C 0.304 176.152 175.800 0.080 0.000 1.081 320 F CA -1.000 57.036 58.000 0.061 0.000 1.041 320 F CB 1.038 40.025 39.000 -0.022 0.000 1.234 320 F HN 0.224 nan 8.300 nan 0.000 0.503 321 L N 1.882 123.245 121.223 0.234 0.000 2.334 321 L HA 0.410 4.749 4.340 -0.001 0.000 0.277 321 L C 0.410 177.348 176.870 0.114 0.000 1.075 321 L CA -0.756 54.079 54.840 -0.009 0.000 0.804 321 L CB 1.263 43.261 42.059 -0.101 0.000 1.174 321 L HN 0.541 nan 8.230 nan 0.000 0.438 322 R N 2.925 123.387 120.500 -0.064 0.000 2.441 322 R HA 0.131 4.470 4.340 -0.001 0.000 0.300 322 R C 0.825 177.098 176.300 -0.045 0.000 1.284 322 R CA -0.133 55.909 56.100 -0.097 0.000 1.069 322 R CB 0.101 30.179 30.300 -0.370 0.000 1.087 322 R HN 0.727 nan 8.270 nan 0.000 0.519 323 L N 3.367 124.665 121.223 0.125 0.000 2.201 323 L HA -0.066 4.274 4.340 -0.001 0.000 0.212 323 L C -0.010 176.942 176.870 0.137 0.000 1.105 323 L CA 1.003 55.959 54.840 0.194 0.000 0.775 323 L CB -0.084 42.154 42.059 0.299 0.000 0.913 323 L HN 0.532 nan 8.230 nan 0.000 0.440 324 Y N -1.751 118.590 120.300 0.068 0.000 2.462 324 Y HA 0.269 4.818 4.550 -0.001 0.000 0.346 324 Y C 0.778 176.639 175.900 -0.064 0.000 0.976 324 Y CA -0.826 57.275 58.100 0.002 0.000 1.044 324 Y CB 1.506 39.990 38.460 0.040 0.000 1.230 324 Y HN -0.220 nan 8.280 nan 0.000 0.455 325 L N 0.911 122.149 121.223 0.025 0.000 2.156 325 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 325 L C 0.511 177.359 176.870 -0.036 0.000 1.095 325 L CA 0.894 55.716 54.840 -0.029 0.000 0.770 325 L CB -0.297 41.725 42.059 -0.061 0.000 0.914 325 L HN 0.673 nan 8.230 nan 0.000 0.439 326 D N -1.809 118.593 120.400 0.002 0.000 2.440 326 D HA 0.152 4.791 4.640 -0.001 0.000 0.258 326 D C -0.207 176.076 176.300 -0.028 0.000 1.092 326 D CA -0.530 53.419 54.000 -0.086 0.000 1.016 326 D CB 0.397 41.168 40.800 -0.048 0.000 1.141 326 D HN 0.094 nan 8.370 nan 0.000 0.552 327 H N -1.211 117.858 119.070 -0.001 0.000 2.546 327 H HA 0.290 4.845 4.556 -0.001 0.000 0.365 327 H C -1.676 173.615 175.328 -0.061 0.000 1.220 327 H CA -1.746 54.277 56.048 -0.042 0.000 1.386 327 H CB 0.517 30.301 29.762 0.037 0.000 1.510 327 H HN 0.233 nan 8.280 nan 0.000 0.591 328 P HA -0.103 nan 4.420 nan 0.000 0.263 328 P C 0.333 177.642 177.300 0.015 0.000 1.195 328 P CA 0.294 63.393 63.100 -0.002 0.000 0.762 328 P CB 1.039 32.777 31.700 0.063 0.000 0.799 329 E N 4.852 125.041 120.200 -0.019 0.000 2.048 329 E HA -0.235 4.114 4.350 -0.001 0.000 0.202 329 E C 1.992 178.569 176.600 -0.037 0.000 1.021 329 E CA 2.378 58.766 56.400 -0.021 0.000 0.825 329 E CB -1.042 28.646 29.700 -0.020 0.000 0.756 329 E HN 0.539 nan 8.360 nan 0.000 0.454 330 A N -0.797 122.035 122.820 0.018 0.000 2.259 330 A HA -0.068 4.251 4.320 -0.001 0.000 0.212 330 A C 1.750 179.258 177.584 -0.126 0.000 1.178 330 A CA 1.573 53.614 52.037 0.006 0.000 0.734 330 A CB -0.131 18.980 19.000 0.184 0.000 0.774 330 A HN 0.186 nan 8.150 nan 0.000 0.481 331 S N -1.634 113.968 115.700 -0.163 0.000 2.733 331 S HA 0.130 4.599 4.470 -0.001 0.000 0.247 331 S C 1.282 175.635 174.600 -0.411 0.000 1.043 331 S CA -0.236 57.764 58.200 -0.334 0.000 1.066 331 S CB 0.338 63.452 63.200 -0.143 0.000 1.045 331 S HN 0.595 nan 8.310 nan 0.000 0.586 332 K N 2.304 122.545 120.400 -0.265 0.000 2.097 332 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 332 K C 1.973 178.427 176.600 -0.242 0.000 1.049 332 K CA 1.007 57.202 56.287 -0.153 0.000 0.933 332 K CB -0.125 32.335 32.500 -0.067 0.000 0.717 332 K HN 0.371 nan 8.250 nan 0.000 0.442 333 R N 0.179 120.411 120.500 -0.446 0.000 2.343 333 R HA -0.043 4.296 4.340 -0.001 0.000 0.202 333 R C 0.628 176.753 176.300 -0.292 0.000 1.023 333 R CA 0.915 56.779 56.100 -0.393 0.000 1.084 333 R CB -0.249 29.792 30.300 -0.432 0.000 0.956 333 R HN 0.219 nan 8.270 nan 0.000 0.478 334 F N 0.264 120.105 119.950 -0.182 0.000 2.728 334 F HA 0.318 4.844 4.527 -0.001 0.000 0.314 334 F C 0.452 176.151 175.800 -0.167 0.000 1.094 334 F CA -1.070 56.806 58.000 -0.207 0.000 1.217 334 F CB 0.579 39.319 39.000 -0.432 0.000 1.056 334 F HN -0.140 nan 8.300 nan 0.000 0.577 335 L N 0.420 121.642 121.223 -0.001 0.000 2.399 335 L HA 0.394 4.733 4.340 -0.001 0.000 0.265 335 L C -0.538 176.355 176.870 0.038 0.000 1.089 335 L CA -0.989 53.851 54.840 0.001 0.000 0.802 335 L CB 0.518 42.573 42.059 -0.007 0.000 1.180 335 L HN -0.155 nan 8.230 nan 0.000 0.454 336 D N 0.761 121.186 120.400 0.043 0.000 2.255 336 D HA 0.317 4.957 4.640 -0.001 0.000 0.249 336 D C -2.215 174.128 176.300 0.072 0.000 1.078 336 D CA -1.227 52.805 54.000 0.053 0.000 0.896 336 D CB 0.909 41.739 40.800 0.049 0.000 1.194 336 D HN 0.212 nan 8.370 nan 0.000 0.429 337 P HA 0.064 nan 4.420 nan 0.000 0.267 337 P C 0.185 177.536 177.300 0.085 0.000 1.200 337 P CA 0.077 63.219 63.100 0.070 0.000 0.772 337 P CB 0.406 32.136 31.700 0.049 0.000 0.855 338 N N -1.201 117.558 118.700 0.098 0.000 2.850 338 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 338 N C -0.055 175.545 175.510 0.150 0.000 1.060 338 N CA 0.653 53.767 53.050 0.106 0.000 0.825 338 N CB -1.159 37.376 38.487 0.081 0.000 1.132 338 N HN 0.568 nan 8.380 nan 0.000 0.564 339 Q N 2.082 122.003 119.800 0.202 0.000 2.262 339 Q HA 0.285 4.625 4.340 -0.001 0.000 0.272 339 Q C -2.350 173.864 176.000 0.355 0.000 1.076 339 Q CA -0.755 55.190 55.803 0.237 0.000 0.905 339 Q CB 0.756 29.605 28.738 0.185 0.000 1.182 339 Q HN 0.151 nan 8.270 nan 0.000 0.390 340 P HA 0.136 nan 4.420 nan 0.000 0.271 340 P C -2.573 174.993 177.300 0.444 0.000 1.244 340 P CA -1.093 62.205 63.100 0.330 0.000 0.793 340 P CB -0.016 31.871 31.700 0.311 0.000 0.984 341 P HA 0.095 nan 4.420 nan 0.000 0.271 341 P C -1.182 176.226 177.300 0.179 0.000 1.220 341 P CA 0.451 63.738 63.100 0.311 0.000 0.768 341 P CB -0.132 31.629 31.700 0.102 0.000 0.848 342 Y N 0.541 120.744 120.300 -0.162 0.000 2.576 342 Y HA 0.719 5.268 4.550 -0.001 0.000 0.346 342 Y C -1.266 174.122 175.900 -0.854 0.000 1.018 342 Y CA -1.722 55.686 58.100 -1.154 0.000 1.050 342 Y CB 0.770 38.536 38.460 -1.156 0.000 1.280 342 Y HN -0.010 nan 8.280 nan 0.000 0.474 343 V N 4.129 123.514 119.914 -0.882 0.000 2.407 343 V HA 0.600 4.720 4.120 -0.001 0.000 0.278 343 V C -0.638 175.496 176.094 0.066 0.000 1.037 343 V CA -0.325 61.685 62.300 -0.483 0.000 0.900 343 V CB 0.834 32.461 31.823 -0.327 0.000 0.983 343 V HN 0.794 nan 8.190 nan 0.000 0.459 344 L N 3.654 124.834 121.223 -0.072 0.000 2.630 344 L HA 0.461 4.801 4.340 -0.001 0.000 0.258 344 L C 0.475 177.232 176.870 -0.188 0.000 1.072 344 L CA -0.284 54.510 54.840 -0.077 0.000 0.885 344 L CB 1.529 43.620 42.059 0.054 0.000 1.502 344 L HN 0.535 nan 8.230 nan 0.000 0.406 345 Y N -0.368 119.971 120.300 0.065 0.000 2.132 345 Y HA -0.311 4.239 4.550 -0.001 0.000 0.280 345 Y C 1.873 177.753 175.900 -0.034 0.000 1.193 345 Y CA 1.758 59.863 58.100 0.008 0.000 1.157 345 Y CB -0.537 37.897 38.460 -0.042 0.000 0.966 345 Y HN 0.787 nan 8.280 nan 0.000 0.511 346 D N -0.365 120.053 120.400 0.030 0.000 2.149 346 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 346 D C 2.026 178.381 176.300 0.092 0.000 0.972 346 D CA 1.227 55.209 54.000 -0.030 0.000 0.835 346 D CB -1.096 39.479 40.800 -0.375 0.000 0.966 346 D HN 0.272 nan 8.370 nan 0.000 0.476 347 V N 1.012 120.908 119.914 -0.031 0.000 2.407 347 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 347 V C 2.631 178.636 176.094 -0.148 0.000 1.055 347 V CA 1.180 63.412 62.300 -0.114 0.000 1.049 347 V CB -0.499 31.150 31.823 -0.291 0.000 0.662 347 V HN 0.190 nan 8.190 nan 0.000 0.455 348 I N -0.566 119.859 120.570 -0.242 0.000 2.252 348 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 348 I C 1.742 177.808 176.117 -0.084 0.000 1.102 348 I CA 1.286 62.362 61.300 -0.373 0.000 1.385 348 I CB -0.140 37.533 38.000 -0.545 0.000 1.064 348 I HN 0.107 nan 8.210 nan 0.000 0.414 349 K N 1.959 122.399 120.400 0.066 0.000 2.502 349 K HA 0.271 4.590 4.320 -0.001 0.000 0.244 349 K C 1.199 177.885 176.600 0.142 0.000 1.249 349 K CA -0.125 56.247 56.287 0.141 0.000 1.193 349 K CB 0.324 32.952 32.500 0.214 0.000 1.674 349 K HN 0.185 nan 8.250 nan 0.000 0.302 350 A N 0.857 123.739 122.820 0.103 0.000 2.084 350 A HA -0.197 4.122 4.320 -0.001 0.000 0.221 350 A C 1.965 179.596 177.584 0.079 0.000 1.161 350 A CA 2.138 54.242 52.037 0.112 0.000 0.653 350 A CB -0.446 18.691 19.000 0.229 0.000 0.802 350 A HN 0.690 nan 8.150 nan 0.000 0.457 351 S N -1.296 114.439 115.700 0.058 0.000 2.474 351 S HA -0.054 4.416 4.470 -0.001 0.000 0.235 351 S C 1.586 176.140 174.600 -0.078 0.000 0.997 351 S CA 1.258 59.470 58.200 0.019 0.000 0.949 351 S CB 0.012 63.236 63.200 0.040 0.000 0.766 351 S HN 0.501 nan 8.310 nan 0.000 0.517 352 K N -0.077 120.216 120.400 -0.179 0.000 2.436 352 K HA 0.341 4.661 4.320 -0.001 0.000 0.198 352 K C -0.659 175.365 176.600 -0.960 0.000 1.174 352 K CA 0.305 56.257 56.287 -0.558 0.000 0.951 352 K CB 0.319 32.408 32.500 -0.685 0.000 1.040 352 K HN 0.499 nan 8.250 nan 0.000 0.536 353 F N 3.458 123.401 119.950 -0.011 0.000 2.686 353 F HA 0.308 4.834 4.527 -0.001 0.000 0.365 353 F C -2.398 173.305 175.800 -0.161 0.000 1.196 353 F CA -2.018 55.955 58.000 -0.045 0.000 1.198 353 F CB 1.665 40.667 39.000 0.004 0.000 1.454 353 F HN -0.168 nan 8.300 nan 0.000 0.539 354 P HA 0.405 nan 4.420 nan 0.000 0.285 354 P C 0.082 177.076 177.300 -0.510 0.000 1.269 354 P CA -0.167 62.610 63.100 -0.539 0.000 0.844 354 P CB 2.218 33.790 31.700 -0.214 0.000 1.094 355 G N 1.200 109.432 108.800 -0.946 0.000 2.532 355 G HA2 0.320 4.280 3.960 -0.001 0.000 0.291 355 G HA3 0.320 4.280 3.960 -0.001 0.000 0.291 355 G C 0.535 175.444 174.900 0.015 0.000 1.349 355 G CA -0.638 44.295 45.100 -0.279 0.000 1.038 355 G HN 0.589 nan 8.290 nan 0.000 0.518 356 K N -1.231 119.223 120.400 0.090 0.000 2.358 356 K HA 0.239 4.558 4.320 -0.001 0.000 0.197 356 K C -0.148 176.512 176.600 0.100 0.000 1.025 356 K CA 0.244 56.590 56.287 0.099 0.000 1.104 356 K CB 0.569 33.090 32.500 0.034 0.000 0.855 356 K HN 0.414 nan 8.250 nan 0.000 0.531 357 E N 2.406 122.698 120.200 0.153 0.000 2.437 357 E HA 0.257 4.606 4.350 -0.001 0.000 0.238 357 E C -2.739 173.746 176.600 -0.192 0.000 0.969 357 E CA -2.399 53.992 56.400 -0.014 0.000 0.759 357 E CB 1.566 31.246 29.700 -0.035 0.000 1.283 357 E HN 0.045 nan 8.360 nan 0.000 0.416 358 P HA -0.055 nan 4.420 nan 0.000 0.268 358 P C -0.398 176.297 177.300 -1.010 0.000 1.204 358 P CA -0.011 62.365 63.100 -1.206 0.000 0.768 358 P CB 0.380 31.026 31.700 -1.756 0.000 0.842 359 N N 3.292 121.415 118.700 -0.962 0.000 2.819 359 N HA -0.037 4.703 4.740 -0.001 0.000 0.284 359 N C 1.170 176.235 175.510 -0.741 0.000 1.196 359 N CA -0.455 52.226 53.050 -0.615 0.000 1.114 359 N CB 0.025 38.250 38.487 -0.436 0.000 1.437 359 N HN 0.135 nan 8.380 nan 0.000 0.518 360 R N 1.241 121.346 120.500 -0.658 0.000 2.119 360 R HA -0.246 4.094 4.340 -0.001 0.000 0.246 360 R C 1.530 177.725 176.300 -0.176 0.000 1.146 360 R CA 1.348 57.181 56.100 -0.445 0.000 0.962 360 R CB -0.540 29.588 30.300 -0.287 0.000 0.863 360 R HN 0.694 nan 8.270 nan 0.000 0.442 361 E N 0.455 120.591 120.200 -0.108 0.000 2.110 361 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 361 E C 1.946 178.536 176.600 -0.017 0.000 0.988 361 E CA 0.799 57.233 56.400 0.058 0.000 0.804 361 E CB 0.006 29.846 29.700 0.234 0.000 0.745 361 E HN 0.106 nan 8.360 nan 0.000 0.458 362 L N -0.173 120.778 121.223 -0.453 0.000 2.072 362 L HA -0.083 4.256 4.340 -0.001 0.000 0.205 362 L C 1.719 178.509 176.870 -0.133 0.000 1.079 362 L CA 1.493 55.797 54.840 -0.894 0.000 0.752 362 L CB -0.654 40.600 42.059 -1.342 0.000 0.906 362 L HN 0.198 nan 8.230 nan 0.000 0.436 363 W N 1.036 122.149 121.300 -0.312 0.000 2.338 363 W HA -0.211 4.449 4.660 -0.001 0.000 0.304 363 W C 2.586 179.056 176.519 -0.083 0.000 1.212 363 W CA 1.730 58.967 57.345 -0.179 0.000 1.264 363 W CB -1.009 28.342 29.460 -0.182 0.000 1.142 363 W HN 0.530 nan 8.180 nan 0.000 0.512 364 E N -1.213 119.099 120.200 0.188 0.000 2.072 364 E HA -0.270 4.079 4.350 -0.001 0.000 0.191 364 E C 2.001 178.678 176.600 0.128 0.000 0.985 364 E CA 1.605 58.082 56.400 0.130 0.000 0.801 364 E CB -1.663 28.105 29.700 0.113 0.000 0.750 364 E HN 0.347 nan 8.360 nan 0.000 0.452 365 Y N 1.636 121.970 120.300 0.057 0.000 2.114 365 Y HA -0.137 4.412 4.550 -0.001 0.000 0.284 365 Y C 1.933 177.856 175.900 0.038 0.000 1.143 365 Y CA 1.914 60.065 58.100 0.085 0.000 1.135 365 Y CB -0.242 38.334 38.460 0.194 0.000 0.980 365 Y HN 0.024 nan 8.280 nan 0.000 0.499 366 L N 0.050 121.407 121.223 0.222 0.000 2.042 366 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 366 L C 2.638 179.469 176.870 -0.066 0.000 1.076 366 L CA 1.324 56.211 54.840 0.079 0.000 0.749 366 L CB -1.081 40.996 42.059 0.030 0.000 0.893 366 L HN 0.368 nan 8.230 nan 0.000 0.432 367 A N -0.232 122.558 122.820 -0.051 0.000 2.239 367 A HA 0.063 4.383 4.320 -0.001 0.000 0.209 367 A C 1.889 179.411 177.584 -0.104 0.000 1.171 367 A CA 1.170 53.162 52.037 -0.076 0.000 0.768 367 A CB -0.647 18.331 19.000 -0.036 0.000 0.790 367 A HN 0.467 nan 8.150 nan 0.000 0.478 368 G N -1.547 107.168 108.800 -0.141 0.000 3.324 368 G HA2 0.319 4.279 3.960 -0.001 0.000 0.251 368 G HA3 0.319 4.279 3.960 -0.001 0.000 0.251 368 G C 0.907 175.690 174.900 -0.196 0.000 1.072 368 G CA 0.719 45.724 45.100 -0.159 0.000 0.787 368 G HN 0.195 nan 8.290 nan 0.000 0.537 369 V N 0.920 120.698 119.914 -0.227 0.000 2.346 369 V HA -0.027 4.093 4.120 -0.001 0.000 0.244 369 V C 2.626 178.684 176.094 -0.059 0.000 1.037 369 V CA 1.066 63.274 62.300 -0.155 0.000 1.029 369 V CB -0.439 31.291 31.823 -0.156 0.000 0.663 369 V HN 0.359 nan 8.190 nan 0.000 0.454 370 I N 0.299 120.695 120.570 -0.290 0.000 2.142 370 I HA -0.134 4.035 4.170 -0.001 0.000 0.240 370 I C -0.127 175.946 176.117 -0.072 0.000 1.078 370 I CA 1.681 62.813 61.300 -0.279 0.000 1.343 370 I CB -1.509 36.269 38.000 -0.370 0.000 1.046 370 I HN 0.313 nan 8.210 nan 0.000 0.405 371 P HA -0.236 nan 4.420 nan 0.000 0.216 371 P C 1.477 178.666 177.300 -0.184 0.000 1.150 371 P CA 1.630 64.603 63.100 -0.212 0.000 0.843 371 P CB -0.140 31.446 31.700 -0.191 0.000 0.787 372 H N -1.779 117.164 119.070 -0.211 0.000 2.387 372 H HA -0.187 4.369 4.556 -0.001 0.000 0.299 372 H C 1.533 176.678 175.328 -0.304 0.000 1.099 372 H CA 1.811 57.691 56.048 -0.279 0.000 1.315 372 H CB -0.835 28.737 29.762 -0.317 0.000 1.380 372 H HN 0.178 nan 8.280 nan 0.000 0.513 373 Y N 0.361 120.624 120.300 -0.062 0.000 2.314 373 Y HA -0.075 4.475 4.550 -0.001 0.000 0.294 373 Y C 2.738 178.705 175.900 0.111 0.000 1.119 373 Y CA 1.100 59.275 58.100 0.126 0.000 1.179 373 Y CB -0.113 38.569 38.460 0.369 0.000 1.025 373 Y HN 0.314 nan 8.280 nan 0.000 0.541 374 Q N 0.591 120.464 119.800 0.122 0.000 2.002 374 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 374 Q C 2.029 177.986 176.000 -0.071 0.000 0.988 374 Q CA 1.874 57.718 55.803 0.069 0.000 0.843 374 Q CB -0.298 28.387 28.738 -0.089 0.000 0.908 374 Q HN 0.436 nan 8.270 nan 0.000 0.420 375 K N 0.794 120.964 120.400 -0.383 0.000 2.057 375 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 375 K C 2.085 178.549 176.600 -0.226 0.000 1.049 375 K CA 1.048 57.120 56.287 -0.359 0.000 0.931 375 K CB -0.066 32.161 32.500 -0.456 0.000 0.714 375 K HN 0.033 nan 8.250 nan 0.000 0.440 376 K N -0.332 119.837 120.400 -0.385 0.000 2.116 376 K HA -0.071 4.248 4.320 -0.001 0.000 0.203 376 K C 1.027 177.294 176.600 -0.555 0.000 1.052 376 K CA 1.220 57.147 56.287 -0.600 0.000 0.952 376 K CB 0.269 32.106 32.500 -1.106 0.000 0.729 376 K HN 0.196 nan 8.250 nan 0.000 0.446 377 Y N -1.916 118.390 120.300 0.010 0.000 2.423 377 Y HA 0.257 4.807 4.550 -0.001 0.000 0.257 377 Y C 0.878 176.814 175.900 0.061 0.000 1.087 377 Y CA -0.053 58.081 58.100 0.057 0.000 1.258 377 Y CB 1.646 40.206 38.460 0.166 0.000 1.237 377 Y HN 0.142 nan 8.280 nan 0.000 0.517 378 G N 2.367 111.313 108.800 0.243 0.000 2.204 378 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.244 378 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.244 378 G C 0.155 175.225 174.900 0.284 0.000 1.062 378 G CA 0.138 45.372 45.100 0.223 0.000 0.798 378 G HN 0.484 nan 8.290 nan 0.000 0.496 379 I N -2.928 117.849 120.570 0.344 0.000 2.836 379 I HA 0.522 4.692 4.170 -0.001 0.000 0.285 379 I C 0.822 177.182 176.117 0.404 0.000 1.174 379 I CA 0.089 61.608 61.300 0.365 0.000 1.405 379 I CB 0.558 38.834 38.000 0.459 0.000 1.385 379 I HN -0.029 nan 8.210 nan 0.000 0.594 380 D N 2.358 122.927 120.400 0.281 0.000 2.367 380 D HA 0.362 5.001 4.640 -0.001 0.000 0.207 380 D C 0.576 176.828 176.300 -0.079 0.000 1.034 380 D CA 0.392 54.500 54.000 0.181 0.000 0.861 380 D CB 0.796 41.596 40.800 -0.001 0.000 0.943 380 D HN 0.893 nan 8.370 nan 0.000 0.515 381 G N -0.607 107.972 108.800 -0.368 0.000 2.451 381 G HA2 0.661 4.620 3.960 -0.001 0.000 0.292 381 G HA3 0.661 4.620 3.960 -0.001 0.000 0.292 381 G C -1.913 172.798 174.900 -0.315 0.000 1.427 381 G CA -0.300 44.162 45.100 -1.064 0.000 0.792 381 G HN 0.234 nan 8.290 nan 0.000 0.498 382 A N -0.334 122.412 122.820 -0.123 0.000 2.604 382 A HA 0.869 5.189 4.320 -0.001 0.000 0.295 382 A C -0.788 176.961 177.584 0.276 0.000 1.067 382 A CA -0.599 51.619 52.037 0.302 0.000 0.683 382 A CB 1.867 21.326 19.000 0.767 0.000 1.281 382 A HN 1.042 nan 8.150 nan 0.000 0.407 383 R N 1.495 122.165 120.500 0.283 0.000 2.338 383 R HA 0.659 4.998 4.340 -0.001 0.000 0.317 383 R C -1.581 174.897 176.300 0.296 0.000 0.968 383 R CA -0.532 55.709 56.100 0.235 0.000 0.849 383 R CB 0.954 31.368 30.300 0.190 0.000 1.128 383 R HN 0.747 nan 8.270 nan 0.000 0.448 384 L N 4.794 126.193 121.223 0.294 0.000 2.265 384 L HA 0.356 4.696 4.340 -0.001 0.000 0.289 384 L C -1.108 175.886 176.870 0.207 0.000 1.033 384 L CA -0.654 54.367 54.840 0.303 0.000 0.814 384 L CB 1.236 43.503 42.059 0.346 0.000 1.203 384 L HN 0.692 nan 8.230 nan 0.000 0.423 385 D N 5.926 126.451 120.400 0.208 0.000 2.210 385 D HA 0.266 4.905 4.640 -0.001 0.000 0.249 385 D C 0.626 177.011 176.300 0.142 0.000 1.062 385 D CA 0.014 54.109 54.000 0.159 0.000 0.891 385 D CB 1.908 42.831 40.800 0.206 0.000 1.186 385 D HN 0.651 nan 8.370 nan 0.000 0.432 386 M N 0.737 120.401 119.600 0.107 0.000 2.879 386 M HA -0.202 4.277 4.480 -0.001 0.000 0.210 386 M C 0.997 177.367 176.300 0.116 0.000 0.550 386 M CA 0.624 56.009 55.300 0.142 0.000 0.732 386 M CB -0.943 31.767 32.600 0.184 0.000 2.662 386 M HN 0.610 nan 8.290 nan 0.000 0.516 387 G N -0.947 107.877 108.800 0.040 0.000 2.479 387 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 387 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 387 G C 0.533 175.444 174.900 0.018 0.000 1.115 387 G CA 1.447 46.574 45.100 0.045 0.000 0.757 387 G HN 0.821 nan 8.290 nan 0.000 0.560 388 H N 0.230 119.352 119.070 0.088 0.000 2.422 388 H HA 0.060 4.616 4.556 -0.001 0.000 0.298 388 H C 2.744 178.116 175.328 0.073 0.000 1.098 388 H CA 1.150 57.241 56.048 0.071 0.000 1.315 388 H CB 0.188 29.990 29.762 0.066 0.000 1.382 388 H HN 0.448 nan 8.280 nan 0.000 0.523 389 A N 0.575 123.514 122.820 0.198 0.000 2.132 389 A HA 0.119 4.438 4.320 -0.001 0.000 0.213 389 A C 0.736 178.371 177.584 0.086 0.000 1.154 389 A CA -0.030 52.092 52.037 0.142 0.000 0.753 389 A CB -0.037 19.057 19.000 0.156 0.000 0.826 389 A HN 0.160 nan 8.150 nan 0.000 0.469 390 L N 1.077 122.331 121.223 0.052 0.000 2.380 390 L HA 0.252 4.591 4.340 -0.001 0.000 0.273 390 L C -2.401 174.447 176.870 -0.038 0.000 1.138 390 L CA -1.948 52.874 54.840 -0.030 0.000 0.832 390 L CB 0.463 42.479 42.059 -0.072 0.000 1.124 390 L HN 0.015 nan 8.230 nan 0.000 0.454 391 P HA -0.001 nan 4.420 nan 0.000 0.268 391 P C 0.329 177.589 177.300 -0.066 0.000 1.205 391 P CA -0.223 62.871 63.100 -0.010 0.000 0.771 391 P CB 0.632 32.372 31.700 0.067 0.000 0.858 392 K N 2.833 123.232 120.400 -0.001 0.000 2.173 392 K HA -0.264 4.055 4.320 -0.001 0.000 0.207 392 K C 1.612 178.198 176.600 -0.024 0.000 1.046 392 K CA 1.752 58.034 56.287 -0.008 0.000 0.929 392 K CB 0.011 32.522 32.500 0.019 0.000 0.720 392 K HN 0.487 nan 8.250 nan 0.000 0.453 393 E N 0.178 120.382 120.200 0.007 0.000 2.152 393 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 393 E C 1.959 178.522 176.600 -0.061 0.000 0.983 393 E CA 0.523 56.952 56.400 0.049 0.000 0.818 393 E CB 0.050 29.882 29.700 0.221 0.000 0.758 393 E HN 0.255 nan 8.360 nan 0.000 0.467 394 L N 1.025 122.040 121.223 -0.347 0.000 2.240 394 L HA -0.053 4.286 4.340 -0.001 0.000 0.211 394 L C 1.950 178.641 176.870 -0.298 0.000 1.106 394 L CA 1.061 55.560 54.840 -0.569 0.000 0.793 394 L CB -0.252 41.082 42.059 -1.207 0.000 0.927 394 L HN 0.237 nan 8.230 nan 0.000 0.446 395 L N -0.956 120.140 121.223 -0.212 0.000 2.095 395 L HA -0.103 4.236 4.340 -0.001 0.000 0.204 395 L C 1.860 178.655 176.870 -0.124 0.000 1.080 395 L CA 1.635 56.387 54.840 -0.147 0.000 0.759 395 L CB -0.860 41.135 42.059 -0.106 0.000 0.914 395 L HN 0.257 nan 8.230 nan 0.000 0.439 396 D N 0.220 120.565 120.400 -0.092 0.000 2.149 396 D HA -0.214 4.425 4.640 -0.001 0.000 0.198 396 D C 2.115 178.385 176.300 -0.050 0.000 0.990 396 D CA 1.171 55.134 54.000 -0.062 0.000 0.839 396 D CB -0.007 40.777 40.800 -0.027 0.000 0.948 396 D HN 0.296 nan 8.370 nan 0.000 0.460 397 L N 0.391 121.585 121.223 -0.047 0.000 2.072 397 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 397 L C 2.113 178.953 176.870 -0.052 0.000 1.079 397 L CA 1.162 55.985 54.840 -0.028 0.000 0.752 397 L CB -0.269 41.792 42.059 0.004 0.000 0.906 397 L HN -0.033 nan 8.230 nan 0.000 0.436 398 I N -0.557 119.962 120.570 -0.084 0.000 2.264 398 I HA -0.327 3.842 4.170 -0.001 0.000 0.248 398 I C 2.286 178.354 176.117 -0.082 0.000 1.111 398 I CA 1.557 62.803 61.300 -0.090 0.000 1.382 398 I CB -0.255 37.685 38.000 -0.100 0.000 1.060 398 I HN 0.292 nan 8.210 nan 0.000 0.418 399 I N 0.333 120.853 120.570 -0.082 0.000 2.333 399 I HA -0.223 3.946 4.170 -0.001 0.000 0.246 399 I C 2.572 178.667 176.117 -0.037 0.000 1.106 399 I CA 0.901 62.162 61.300 -0.066 0.000 1.411 399 I CB -0.313 37.622 38.000 -0.107 0.000 1.082 399 I HN 0.138 nan 8.210 nan 0.000 0.420 400 K N 1.216 121.596 120.400 -0.033 0.000 2.103 400 K HA -0.208 4.111 4.320 -0.001 0.000 0.207 400 K C 1.748 178.344 176.600 -0.008 0.000 1.048 400 K CA 1.705 57.986 56.287 -0.011 0.000 0.930 400 K CB 0.019 32.516 32.500 -0.005 0.000 0.716 400 K HN 0.230 nan 8.250 nan 0.000 0.444 401 N N 0.242 118.925 118.700 -0.028 0.000 2.270 401 N HA -0.119 4.620 4.740 -0.001 0.000 0.181 401 N C 1.687 177.164 175.510 -0.055 0.000 1.016 401 N CA 1.424 54.453 53.050 -0.034 0.000 0.870 401 N CB -0.061 38.393 38.487 -0.055 0.000 0.979 401 N HN 0.240 nan 8.380 nan 0.000 0.431 402 V N -1.550 118.299 119.914 -0.109 0.000 2.535 402 V HA 0.092 4.211 4.120 -0.001 0.000 0.246 402 V C 1.841 177.890 176.094 -0.076 0.000 1.045 402 V CA 1.043 63.204 62.300 -0.231 0.000 1.058 402 V CB -0.318 31.201 31.823 -0.506 0.000 0.689 402 V HN -0.016 nan 8.190 nan 0.000 0.461 403 K N 0.661 121.069 120.400 0.013 0.000 2.211 403 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 403 K C 2.109 178.762 176.600 0.088 0.000 1.050 403 K CA 1.591 57.929 56.287 0.086 0.000 0.945 403 K CB -0.197 32.348 32.500 0.075 0.000 0.732 403 K HN 0.729 nan 8.250 nan 0.000 0.451 404 E N -0.284 119.959 120.200 0.072 0.000 2.072 404 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 404 E C 1.813 178.489 176.600 0.126 0.000 0.985 404 E CA 0.860 57.308 56.400 0.080 0.000 0.801 404 E CB -0.071 29.669 29.700 0.066 0.000 0.750 404 E HN 0.268 nan 8.360 nan 0.000 0.452 405 Y N 0.499 120.817 120.300 0.030 0.000 2.286 405 Y HA -0.037 4.512 4.550 -0.001 0.000 0.293 405 Y C 0.153 176.178 175.900 0.209 0.000 1.124 405 Y CA 1.280 59.431 58.100 0.084 0.000 1.178 405 Y CB 0.643 39.126 38.460 0.037 0.000 1.010 405 Y HN -0.120 nan 8.280 nan 0.000 0.536 406 D N -0.103 120.404 120.400 0.177 0.000 2.375 406 D HA 0.192 4.831 4.640 -0.001 0.000 0.241 406 D C -2.423 174.024 176.300 0.246 0.000 1.361 406 D CA -2.221 51.920 54.000 0.236 0.000 0.995 406 D CB 1.605 42.553 40.800 0.247 0.000 1.312 406 D HN 0.001 nan 8.370 nan 0.000 0.576 407 P HA 0.020 nan 4.420 nan 0.000 0.234 407 P C 0.734 178.165 177.300 0.219 0.000 1.167 407 P CA 0.294 63.499 63.100 0.174 0.000 0.763 407 P CB 0.400 32.169 31.700 0.114 0.000 0.835 408 A N -1.082 121.909 122.820 0.286 0.000 2.267 408 A HA 0.156 4.475 4.320 -0.001 0.000 0.213 408 A C 0.661 178.531 177.584 0.476 0.000 1.192 408 A CA -0.546 51.701 52.037 0.349 0.000 0.851 408 A CB -1.014 18.183 19.000 0.328 0.000 0.881 408 A HN 0.121 nan 8.150 nan 0.000 0.494 409 F N 0.844 120.951 119.950 0.261 0.000 2.607 409 F HA 0.240 4.766 4.527 -0.001 0.000 0.374 409 F C 0.129 176.042 175.800 0.189 0.000 1.104 409 F CA 0.645 58.804 58.000 0.265 0.000 1.296 409 F CB 0.711 39.833 39.000 0.204 0.000 1.085 409 F HN -0.084 nan 8.300 nan 0.000 0.584 410 V N 7.986 127.753 119.914 -0.244 0.000 2.370 410 V HA 0.224 4.344 4.120 -0.001 0.000 0.279 410 V C 0.103 176.075 176.094 -0.202 0.000 1.029 410 V CA -0.798 61.352 62.300 -0.249 0.000 0.870 410 V CB 1.256 32.792 31.823 -0.477 0.000 0.984 410 V HN 0.576 nan 8.190 nan 0.000 0.451 411 M N 6.195 125.815 119.600 0.033 0.000 2.129 411 M HA 0.526 5.005 4.480 -0.001 0.000 0.348 411 M C -0.558 175.856 176.300 0.190 0.000 1.116 411 M CA -0.237 55.162 55.300 0.165 0.000 1.022 411 M CB 1.223 33.931 32.600 0.180 0.000 1.599 411 M HN 0.406 nan 8.290 nan 0.000 0.449 412 I N 2.663 123.344 120.570 0.184 0.000 2.339 412 I HA 0.419 4.588 4.170 -0.001 0.000 0.290 412 I C 0.406 176.587 176.117 0.107 0.000 0.994 412 I CA -0.733 60.630 61.300 0.105 0.000 1.191 412 I CB 1.662 39.661 38.000 -0.002 0.000 1.343 412 I HN 0.699 nan 8.210 nan 0.000 0.458 413 A N 5.643 128.383 122.820 -0.134 0.000 2.363 413 A HA 0.188 4.507 4.320 -0.001 0.000 0.270 413 A C 0.416 177.821 177.584 -0.298 0.000 1.121 413 A CA -0.364 51.319 52.037 -0.590 0.000 0.800 413 A CB 0.303 18.553 19.000 -1.251 0.000 1.052 413 A HN 0.787 nan 8.150 nan 0.000 0.493 414 E N 1.756 121.818 120.200 -0.230 0.000 2.148 414 E HA 0.106 4.455 4.350 -0.001 0.000 0.308 414 E C -0.705 175.817 176.600 -0.129 0.000 1.278 414 E CA -0.027 56.302 56.400 -0.118 0.000 1.368 414 E CB 0.027 29.706 29.700 -0.036 0.000 1.229 414 E HN 0.524 nan 8.360 nan 0.000 0.494 415 E N 2.840 122.958 120.200 -0.137 0.000 2.141 415 E HA 0.150 4.500 4.350 -0.001 0.000 0.259 415 E C 0.180 176.777 176.600 -0.004 0.000 0.883 415 E CA -0.341 56.018 56.400 -0.069 0.000 0.744 415 E CB 0.889 30.499 29.700 -0.149 0.000 1.150 415 E HN 0.441 nan 8.360 nan 0.000 0.420 416 L N 2.137 123.390 121.223 0.050 0.000 2.418 416 L HA 0.191 4.531 4.340 -0.001 0.000 0.218 416 L C 0.671 177.566 176.870 0.041 0.000 1.125 416 L CA 0.233 55.112 54.840 0.065 0.000 0.835 416 L CB 0.094 42.208 42.059 0.091 0.000 0.953 416 L HN 0.433 nan 8.230 nan 0.000 0.454 417 D N 0.282 120.697 120.400 0.024 0.000 2.347 417 D HA 0.122 4.761 4.640 -0.001 0.000 0.235 417 D C 1.008 177.292 176.300 -0.027 0.000 1.149 417 D CA 0.029 54.029 54.000 -0.001 0.000 0.850 417 D CB 1.076 41.873 40.800 -0.005 0.000 1.061 417 D HN 0.013 nan 8.370 nan 0.000 0.487 418 M N 2.041 121.608 119.600 -0.056 0.000 2.632 418 M HA -0.067 4.412 4.480 -0.001 0.000 0.256 418 M C 1.114 177.351 176.300 -0.104 0.000 1.080 418 M CA 0.925 56.155 55.300 -0.116 0.000 1.084 418 M CB 0.180 32.651 32.600 -0.215 0.000 1.439 418 M HN 0.480 nan 8.290 nan 0.000 0.509 419 E N -0.088 120.071 120.200 -0.068 0.000 2.442 419 E HA -0.031 4.318 4.350 -0.001 0.000 0.195 419 E C 0.890 177.466 176.600 -0.039 0.000 1.030 419 E CA 0.345 56.711 56.400 -0.057 0.000 0.869 419 E CB 0.327 30.000 29.700 -0.045 0.000 0.857 419 E HN 0.400 nan 8.360 nan 0.000 0.505 420 K N 1.621 122.004 120.400 -0.029 0.000 2.520 420 K HA -0.027 4.292 4.320 -0.001 0.000 0.205 420 K C 0.850 177.438 176.600 -0.020 0.000 1.035 420 K CA 0.158 56.438 56.287 -0.010 0.000 1.188 420 K CB 0.305 32.816 32.500 0.018 0.000 0.894 420 K HN 0.206 nan 8.250 nan 0.000 0.497 421 D N 1.406 121.785 120.400 -0.035 0.000 2.097 421 D HA -0.224 4.415 4.640 -0.001 0.000 0.195 421 D C 1.281 177.576 176.300 -0.008 0.000 0.989 421 D CA 1.277 55.259 54.000 -0.031 0.000 0.827 421 D CB -0.042 40.729 40.800 -0.048 0.000 0.966 421 D HN 0.057 nan 8.370 nan 0.000 0.456 422 K N 0.651 121.046 120.400 -0.009 0.000 2.103 422 K HA -0.051 4.268 4.320 -0.001 0.000 0.207 422 K C 2.330 178.942 176.600 0.020 0.000 1.048 422 K CA 1.590 57.879 56.287 0.003 0.000 0.930 422 K CB -0.188 32.309 32.500 -0.004 0.000 0.716 422 K HN 0.237 nan 8.250 nan 0.000 0.444 423 A N 0.420 123.253 122.820 0.022 0.000 2.016 423 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 423 A C 2.050 179.676 177.584 0.070 0.000 1.162 423 A CA 1.245 53.306 52.037 0.041 0.000 0.662 423 A CB -0.166 18.858 19.000 0.039 0.000 0.812 423 A HN 0.138 nan 8.150 nan 0.000 0.450 424 S N -0.359 115.376 115.700 0.058 0.000 2.387 424 S HA -0.100 4.369 4.470 -0.001 0.000 0.226 424 S C 1.958 176.682 174.600 0.207 0.000 1.026 424 S CA 1.409 59.674 58.200 0.109 0.000 0.972 424 S CB -0.144 63.033 63.200 -0.039 0.000 0.814 424 S HN 0.694 nan 8.310 nan 0.000 0.477 425 K N 1.379 121.844 120.400 0.109 0.000 2.097 425 K HA -0.060 4.259 4.320 -0.001 0.000 0.205 425 K C 1.744 178.389 176.600 0.074 0.000 1.050 425 K CA 1.161 57.502 56.287 0.090 0.000 0.938 425 K CB -0.047 32.481 32.500 0.047 0.000 0.718 425 K HN 0.344 nan 8.250 nan 0.000 0.442 426 E N -0.219 120.020 120.200 0.066 0.000 2.204 426 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 426 E C 1.666 178.294 176.600 0.047 0.000 0.989 426 E CA 0.792 57.220 56.400 0.047 0.000 0.824 426 E CB 0.056 29.780 29.700 0.039 0.000 0.756 426 E HN 0.403 nan 8.360 nan 0.000 0.477 427 A N 0.141 123.012 122.820 0.085 0.000 2.119 427 A HA 0.192 4.511 4.320 -0.001 0.000 0.216 427 A C 1.728 179.271 177.584 -0.068 0.000 1.152 427 A CA 0.992 53.062 52.037 0.055 0.000 0.708 427 A CB -0.053 19.062 19.000 0.191 0.000 0.805 427 A HN 0.336 nan 8.150 nan 0.000 0.460 428 G N -2.821 105.956 108.800 -0.038 0.000 2.154 428 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.186 428 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.186 428 G C -0.107 174.700 174.900 -0.156 0.000 1.000 428 G CA -0.062 44.973 45.100 -0.109 0.000 0.664 428 G HN 0.366 nan 8.290 nan 0.000 0.513 429 Y N 0.604 120.911 120.300 0.011 0.000 2.326 429 Y HA 0.505 5.055 4.550 -0.001 0.000 0.324 429 Y C 1.307 177.204 175.900 -0.006 0.000 1.291 429 Y CA -0.024 58.081 58.100 0.008 0.000 1.348 429 Y CB 0.894 39.351 38.460 -0.005 0.000 1.294 429 Y HN 0.035 nan 8.280 nan 0.000 0.525 430 D N -0.007 120.485 120.400 0.152 0.000 2.454 430 D HA 0.167 4.806 4.640 -0.001 0.000 0.214 430 D C -0.719 175.583 176.300 0.003 0.000 1.088 430 D CA 0.714 54.737 54.000 0.038 0.000 0.855 430 D CB 1.081 41.863 40.800 -0.031 0.000 1.025 430 D HN 0.136 nan 8.370 nan 0.000 0.502 431 V N 2.014 121.943 119.914 0.026 0.000 2.932 431 V HA 0.366 4.486 4.120 -0.001 0.000 0.307 431 V C -0.430 175.648 176.094 -0.026 0.000 1.147 431 V CA -1.114 61.176 62.300 -0.017 0.000 0.951 431 V CB 3.009 34.789 31.823 -0.073 0.000 1.031 431 V HN 0.015 nan 8.190 nan 0.000 0.426 432 I N 1.300 121.859 120.570 -0.019 0.000 2.750 432 I HA 0.561 4.731 4.170 -0.001 0.000 0.308 432 I C 0.644 176.751 176.117 -0.018 0.000 1.016 432 I CA -0.484 60.782 61.300 -0.057 0.000 1.098 432 I CB 1.855 39.826 38.000 -0.048 0.000 1.279 432 I HN 0.503 nan 8.210 nan 0.000 0.454 433 L N 3.934 125.126 121.223 -0.052 0.000 2.023 433 L HA 0.353 4.693 4.340 -0.001 0.000 0.205 433 L C 1.215 178.126 176.870 0.067 0.000 1.073 433 L CA 2.340 57.157 54.840 -0.039 0.000 0.745 433 L CB -0.947 41.071 42.059 -0.068 0.000 0.900 433 L HN 1.174 nan 8.230 nan 0.000 0.435 434 G N -1.520 107.318 108.800 0.065 0.000 2.741 434 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.222 434 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.222 434 G C 0.105 175.098 174.900 0.154 0.000 1.364 434 G CA -0.167 44.983 45.100 0.084 0.000 0.866 434 G HN 0.285 nan 8.290 nan 0.000 0.555 435 S N -0.159 115.625 115.700 0.140 0.000 2.941 435 S HA 0.360 4.829 4.470 -0.001 0.000 0.248 435 S C 1.669 176.311 174.600 0.071 0.000 0.962 435 S CA 0.865 59.147 58.200 0.137 0.000 1.092 435 S CB 0.368 63.600 63.200 0.053 0.000 1.113 435 S HN 1.739 nan 8.310 nan 0.000 0.512 436 S N 1.620 117.432 115.700 0.186 0.000 2.419 436 S HA -0.150 4.319 4.470 -0.001 0.000 0.235 436 S C 1.938 176.677 174.600 0.233 0.000 1.019 436 S CA 0.766 59.088 58.200 0.204 0.000 0.982 436 S CB -0.828 62.551 63.200 0.298 0.000 0.789 436 S HN 0.894 nan 8.310 nan 0.000 0.490 437 W N 0.759 122.224 121.300 0.274 0.000 2.364 437 W HA -0.167 4.492 4.660 -0.002 0.000 0.281 437 W C 1.840 178.480 176.519 0.201 0.000 1.219 437 W CA 0.706 58.174 57.345 0.205 0.000 1.220 437 W CB -1.079 28.471 29.460 0.149 0.000 1.127 437 W HN 0.384 nan 8.180 nan 0.000 0.556 438 Y N 1.460 121.068 120.300 -1.152 0.000 2.184 438 Y HA -0.115 4.434 4.550 -0.001 0.000 0.290 438 Y C 2.280 177.873 175.900 -0.511 0.000 1.129 438 Y CA 1.939 59.304 58.100 -1.226 0.000 1.144 438 Y CB -1.150 36.353 38.460 -1.595 0.000 0.995 438 Y HN -0.192 nan 8.280 nan 0.000 0.513 439 F N -0.029 119.685 119.950 -0.393 0.000 2.206 439 F HA 0.042 4.569 4.527 -0.001 0.000 0.298 439 F C 2.619 178.306 175.800 -0.189 0.000 1.090 439 F CA 0.876 58.695 58.000 -0.302 0.000 1.323 439 F CB -1.441 37.470 39.000 -0.147 0.000 1.028 439 F HN 0.087 nan 8.300 nan 0.000 0.492 440 A N 0.513 123.411 122.820 0.130 0.000 1.978 440 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 440 A C 2.421 180.041 177.584 0.060 0.000 1.170 440 A CA 1.794 53.892 52.037 0.101 0.000 0.636 440 A CB -1.519 17.566 19.000 0.142 0.000 0.810 440 A HN 0.414 nan 8.150 nan 0.000 0.448 441 G N -1.267 107.549 108.800 0.026 0.000 3.141 441 G HA2 0.271 4.230 3.960 -0.001 0.000 0.218 441 G HA3 0.271 4.230 3.960 -0.001 0.000 0.218 441 G C 0.574 175.456 174.900 -0.031 0.000 1.170 441 G CA -0.414 44.701 45.100 0.024 0.000 0.769 441 G HN 0.457 nan 8.290 nan 0.000 0.546 442 R N 0.521 120.968 120.500 -0.088 0.000 2.388 442 R HA 0.276 4.615 4.340 -0.001 0.000 0.314 442 R C 1.335 177.628 176.300 -0.012 0.000 0.959 442 R CA -0.468 55.581 56.100 -0.086 0.000 0.851 442 R CB 1.981 32.140 30.300 -0.234 0.000 1.168 442 R HN 0.043 nan 8.270 nan 0.000 0.472 443 V N 0.413 120.359 119.914 0.053 0.000 2.380 443 V HA -0.269 3.851 4.120 -0.001 0.000 0.251 443 V C 1.883 177.996 176.094 0.032 0.000 1.063 443 V CA 2.027 64.358 62.300 0.053 0.000 1.055 443 V CB -0.384 31.479 31.823 0.066 0.000 0.657 443 V HN 0.826 nan 8.190 nan 0.000 0.455 444 E N 0.344 120.558 120.200 0.022 0.000 2.427 444 E HA -0.154 4.196 4.350 -0.001 0.000 0.196 444 E C 1.595 178.201 176.600 0.011 0.000 1.028 444 E CA 1.342 57.750 56.400 0.014 0.000 0.864 444 E CB -0.162 29.543 29.700 0.009 0.000 0.813 444 E HN 0.789 nan 8.360 nan 0.000 0.514 445 E N 0.420 120.620 120.200 -0.001 0.000 2.434 445 E HA 0.158 4.507 4.350 -0.001 0.000 0.207 445 E C 2.128 178.801 176.600 0.122 0.000 0.929 445 E CA -0.170 56.258 56.400 0.047 0.000 1.001 445 E CB -0.078 29.585 29.700 -0.061 0.000 1.016 445 E HN 0.211 nan 8.360 nan 0.000 0.502 446 I N 1.752 122.369 120.570 0.078 0.000 2.315 446 I HA -0.212 3.957 4.170 -0.001 0.000 0.251 446 I C 2.044 178.194 176.117 0.056 0.000 1.125 446 I CA 1.550 62.898 61.300 0.082 0.000 1.392 446 I CB -0.059 37.980 38.000 0.065 0.000 1.065 446 I HN 0.081 nan 8.210 nan 0.000 0.424 447 G N 0.154 108.986 108.800 0.053 0.000 2.498 447 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.219 447 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.219 447 G C 1.599 176.506 174.900 0.010 0.000 1.119 447 G CA 0.432 45.556 45.100 0.040 0.000 0.766 447 G HN 0.405 nan 8.290 nan 0.000 0.552 448 K N -0.178 120.223 120.400 0.002 0.000 2.296 448 K HA 0.244 4.563 4.320 -0.001 0.000 0.200 448 K C 2.231 178.712 176.600 -0.199 0.000 1.048 448 K CA -0.074 56.176 56.287 -0.061 0.000 0.966 448 K CB -0.082 32.418 32.500 0.001 0.000 0.754 448 K HN 0.249 nan 8.250 nan 0.000 0.466 449 L N 1.018 122.104 121.223 -0.228 0.000 2.042 449 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 449 L C -0.758 175.950 176.870 -0.271 0.000 1.076 449 L CA 1.616 56.268 54.840 -0.313 0.000 0.749 449 L CB -1.414 40.524 42.059 -0.201 0.000 0.893 449 L HN 0.081 nan 8.230 nan 0.000 0.432 450 P HA -0.170 nan 4.420 nan 0.000 0.214 450 P C 1.004 178.183 177.300 -0.201 0.000 1.163 450 P CA 1.467 64.430 63.100 -0.228 0.000 0.889 450 P CB 0.010 31.664 31.700 -0.075 0.000 0.790 451 D N -1.024 119.306 120.400 -0.116 0.000 2.144 451 D HA -0.075 4.564 4.640 -0.001 0.000 0.200 451 D C 2.034 178.209 176.300 -0.208 0.000 0.978 451 D CA 0.893 54.826 54.000 -0.111 0.000 0.833 451 D CB -0.531 40.236 40.800 -0.056 0.000 0.961 451 D HN 0.192 nan 8.370 nan 0.000 0.470 452 I N 1.323 121.732 120.570 -0.268 0.000 2.208 452 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 452 I C 2.498 178.387 176.117 -0.381 0.000 1.097 452 I CA 1.094 62.195 61.300 -0.332 0.000 1.363 452 I CB -0.164 37.560 38.000 -0.460 0.000 1.051 452 I HN -0.074 nan 8.210 nan 0.000 0.413 453 A N 0.228 122.794 122.820 -0.424 0.000 1.898 453 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 453 A C 2.195 179.568 177.584 -0.351 0.000 1.181 453 A CA 1.800 53.585 52.037 -0.421 0.000 0.620 453 A CB -0.500 18.310 19.000 -0.317 0.000 0.819 453 A HN 0.393 nan 8.150 nan 0.000 0.442 454 E N 0.232 120.164 120.200 -0.446 0.000 2.153 454 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 454 E C 1.903 178.360 176.600 -0.240 0.000 0.988 454 E CA 1.443 57.568 56.400 -0.459 0.000 0.811 454 E CB -0.162 29.153 29.700 -0.642 0.000 0.746 454 E HN 0.585 nan 8.360 nan 0.000 0.466 455 E N 0.096 120.177 120.200 -0.198 0.000 2.427 455 E HA -0.035 4.314 4.350 -0.001 0.000 0.196 455 E C 0.099 176.630 176.600 -0.115 0.000 1.028 455 E CA -0.075 56.247 56.400 -0.130 0.000 0.864 455 E CB -0.022 29.608 29.700 -0.116 0.000 0.813 455 E HN 0.307 nan 8.360 nan 0.000 0.514 456 L N 1.148 122.287 121.223 -0.141 0.000 2.506 456 L HA -0.074 4.265 4.340 -0.001 0.000 0.281 456 L C 1.541 178.377 176.870 -0.056 0.000 1.228 456 L CA -0.082 54.696 54.840 -0.104 0.000 0.850 456 L CB 0.747 42.741 42.059 -0.110 0.000 1.110 456 L HN -0.046 nan 8.230 nan 0.000 0.496 457 V N 0.718 120.610 119.914 -0.037 0.000 3.578 457 V HA 0.391 4.510 4.120 -0.001 0.000 0.290 457 V C 0.294 176.386 176.094 -0.004 0.000 1.376 457 V CA -0.056 62.234 62.300 -0.017 0.000 1.083 457 V CB -0.151 31.665 31.823 -0.012 0.000 0.911 457 V HN 0.522 nan 8.190 nan 0.000 0.433 458 L N 1.121 122.345 121.223 0.002 0.000 2.415 458 L HA 0.616 4.955 4.340 -0.001 0.000 0.256 458 L C -2.718 174.180 176.870 0.046 0.000 1.010 458 L CA -1.836 53.013 54.840 0.015 0.000 0.826 458 L CB 3.377 45.447 42.059 0.018 0.000 1.405 458 L HN -0.080 nan 8.230 nan 0.000 0.410 459 P HA 0.329 nan 4.420 nan 0.000 0.276 459 P C -1.433 175.955 177.300 0.146 0.000 1.252 459 P CA -0.200 62.949 63.100 0.081 0.000 0.802 459 P CB 1.033 32.717 31.700 -0.027 0.000 1.035 460 F N -1.257 118.654 119.950 -0.066 0.000 2.620 460 F HA 0.556 5.083 4.527 -0.001 0.000 0.320 460 F C -1.119 174.651 175.800 -0.048 0.000 1.069 460 F CA -1.887 56.074 58.000 -0.065 0.000 0.953 460 F CB 0.458 39.422 39.000 -0.061 0.000 1.322 460 F HN -0.011 nan 8.300 nan 0.000 0.479 461 L N 2.890 124.009 121.223 -0.174 0.000 2.363 461 L HA 0.480 4.819 4.340 -0.001 0.000 0.286 461 L C 0.390 177.109 176.870 -0.250 0.000 1.106 461 L CA -0.769 53.924 54.840 -0.245 0.000 0.859 461 L CB 0.434 42.365 42.059 -0.213 0.000 1.223 461 L HN 0.893 nan 8.230 nan 0.000 0.446 462 A N 3.479 126.011 122.820 -0.481 0.000 2.545 462 A HA 0.406 4.725 4.320 -0.001 0.000 0.297 462 A C 0.521 178.260 177.584 0.259 0.000 1.340 462 A CA -0.207 51.736 52.037 -0.157 0.000 1.016 462 A CB -0.274 18.610 19.000 -0.194 0.000 1.122 462 A HN 0.700 nan 8.150 nan 0.000 0.537 463 S N 0.882 116.778 115.700 0.327 0.000 2.648 463 S HA 0.609 5.078 4.470 -0.001 0.000 0.305 463 S C 0.398 175.237 174.600 0.399 0.000 1.094 463 S CA 0.002 58.455 58.200 0.422 0.000 0.983 463 S CB 1.668 65.042 63.200 0.290 0.000 1.101 463 S HN 1.438 nan 8.310 nan 0.000 0.514 464 V N -2.296 117.840 119.914 0.369 0.000 3.477 464 V HA 0.506 4.626 4.120 -0.001 0.000 0.297 464 V C -0.184 176.107 176.094 0.329 0.000 1.433 464 V CA 0.419 62.904 62.300 0.310 0.000 1.052 464 V CB -1.539 30.390 31.823 0.177 0.000 0.895 464 V HN 1.101 nan 8.190 nan 0.000 0.438 465 E N -0.166 120.213 120.200 0.299 0.000 2.393 465 E HA 0.554 4.903 4.350 -0.001 0.000 0.282 465 E C -0.791 175.858 176.600 0.082 0.000 1.096 465 E CA -0.138 56.337 56.400 0.124 0.000 0.866 465 E CB 1.236 30.989 29.700 0.088 0.000 1.232 465 E HN 0.377 nan 8.360 nan 0.000 0.431 466 T N -1.937 112.539 114.554 -0.129 0.000 2.804 466 T HA 0.539 4.889 4.350 -0.001 0.000 0.290 466 T C -2.320 172.316 174.700 -0.106 0.000 1.099 466 T CA -1.679 60.375 62.100 -0.077 0.000 1.011 466 T CB 1.360 70.089 68.868 -0.231 0.000 1.291 466 T HN 0.223 nan 8.240 nan 0.000 0.523 467 P HA 0.057 nan 4.420 nan 0.000 0.220 467 P C 0.589 177.732 177.300 -0.260 0.000 1.148 467 P CA 0.890 63.980 63.100 -0.017 0.000 0.803 467 P CB 0.032 31.876 31.700 0.240 0.000 0.782 468 D N -1.717 118.501 120.400 -0.302 0.000 2.339 468 D HA 0.025 4.664 4.640 -0.001 0.000 0.217 468 D C 1.027 177.064 176.300 -0.438 0.000 1.050 468 D CA 0.732 54.494 54.000 -0.396 0.000 0.856 468 D CB 0.122 40.739 40.800 -0.306 0.000 0.922 468 D HN 0.286 nan 8.370 nan 0.000 0.518 469 T N -1.871 112.371 114.554 -0.520 0.000 2.927 469 T HA 0.535 4.884 4.350 -0.001 0.000 0.286 469 T C -2.830 171.648 174.700 -0.369 0.000 1.040 469 T CA -1.882 59.833 62.100 -0.642 0.000 1.010 469 T CB 2.459 70.548 68.868 -1.299 0.000 1.177 469 T HN -0.294 nan 8.240 nan 0.000 0.546 470 P HA 0.276 nan 4.420 nan 0.000 0.274 470 P C -0.423 176.829 177.300 -0.080 0.000 1.237 470 P CA -0.627 62.403 63.100 -0.117 0.000 0.793 470 P CB 0.524 32.207 31.700 -0.028 0.000 0.977 471 R N 1.346 121.815 120.500 -0.050 0.000 2.594 471 R HA 0.098 4.438 4.340 -0.001 0.000 0.272 471 R C 1.299 177.617 176.300 0.029 0.000 1.074 471 R CA -0.518 55.574 56.100 -0.013 0.000 1.105 471 R CB -0.151 30.137 30.300 -0.019 0.000 1.008 471 R HN 0.495 nan 8.270 nan 0.000 0.472 472 I N 2.482 123.088 120.570 0.059 0.000 2.493 472 I HA -0.165 4.004 4.170 -0.001 0.000 0.254 472 I C 1.684 177.833 176.117 0.053 0.000 1.160 472 I CA 1.477 62.824 61.300 0.079 0.000 1.445 472 I CB -0.222 37.837 38.000 0.099 0.000 1.086 472 I HN 0.742 nan 8.210 nan 0.000 0.433 473 A N -0.771 122.071 122.820 0.038 0.000 2.248 473 A HA -0.076 4.243 4.320 -0.001 0.000 0.210 473 A C 1.931 179.522 177.584 0.011 0.000 1.174 473 A CA 1.590 53.642 52.037 0.023 0.000 0.750 473 A CB -1.196 17.812 19.000 0.014 0.000 0.780 473 A HN 0.576 nan 8.150 nan 0.000 0.478 474 T N -3.831 110.729 114.554 0.011 0.000 3.043 474 T HA 0.271 4.621 4.350 -0.001 0.000 0.272 474 T C 0.644 175.344 174.700 -0.000 0.000 0.990 474 T CA -0.630 61.469 62.100 -0.001 0.000 0.897 474 T CB 0.198 69.061 68.868 -0.009 0.000 1.111 474 T HN 0.242 nan 8.240 nan 0.000 0.529 475 R N 1.746 122.255 120.500 0.016 0.000 2.649 475 R HA 0.412 4.751 4.340 -0.001 0.000 0.270 475 R C 0.256 176.538 176.300 -0.030 0.000 1.105 475 R CA -0.663 55.443 56.100 0.009 0.000 1.193 475 R CB 0.531 30.857 30.300 0.042 0.000 1.120 475 R HN 0.299 nan 8.270 nan 0.000 0.561 476 K N 0.828 121.178 120.400 -0.083 0.000 2.511 476 K HA -0.127 4.192 4.320 -0.001 0.000 0.280 476 K C -0.570 175.941 176.600 -0.147 0.000 1.008 476 K CA 0.590 56.729 56.287 -0.247 0.000 1.050 476 K CB -0.048 32.235 32.500 -0.362 0.000 0.889 476 K HN 0.538 nan 8.250 nan 0.000 0.484 477 Y N 0.534 120.833 120.300 -0.001 0.000 4.032 477 Y HA -0.342 4.207 4.550 -0.002 0.000 0.230 477 Y C 1.280 177.179 175.900 -0.001 0.000 1.202 477 Y CA 0.052 58.151 58.100 -0.002 0.000 1.878 477 Y CB -2.267 36.192 38.460 -0.001 0.000 1.586 477 Y HN 0.770 nan 8.280 nan 0.000 0.673 478 A N 0.613 123.484 122.820 0.085 0.000 1.896 478 A HA -0.378 3.941 4.320 -0.001 0.000 0.220 478 A C 2.279 179.894 177.584 0.053 0.000 1.206 478 A CA 3.051 55.122 52.037 0.057 0.000 0.647 478 A CB -1.193 17.822 19.000 0.025 0.000 0.828 478 A HN 1.040 nan 8.150 nan 0.000 0.455 479 S N -1.131 114.598 115.700 0.049 0.000 2.420 479 S HA -0.203 4.266 4.470 -0.001 0.000 0.237 479 S C 1.751 176.362 174.600 0.017 0.000 1.023 479 S CA 1.672 59.888 58.200 0.027 0.000 0.991 479 S CB -0.168 63.047 63.200 0.025 0.000 0.792 479 S HN 0.553 nan 8.310 nan 0.000 0.488 480 K N 0.061 120.489 120.400 0.045 0.000 2.240 480 K HA 0.348 4.668 4.320 -0.001 0.000 0.202 480 K C 2.072 178.693 176.600 0.035 0.000 1.053 480 K CA 0.437 56.742 56.287 0.030 0.000 0.973 480 K CB -0.443 32.074 32.500 0.029 0.000 0.924 480 K HN 0.343 nan 8.250 nan 0.000 0.477 481 M N 2.072 121.711 119.600 0.065 0.000 2.279 481 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 481 M C 1.837 178.151 176.300 0.024 0.000 1.062 481 M CA 1.340 56.673 55.300 0.055 0.000 1.099 481 M CB -0.831 31.826 32.600 0.095 0.000 1.394 481 M HN 0.155 nan 8.290 nan 0.000 0.426 482 K N -0.040 120.372 120.400 0.020 0.000 2.442 482 K HA -0.127 4.192 4.320 -0.001 0.000 0.198 482 K C 1.389 177.987 176.600 -0.004 0.000 1.042 482 K CA 1.032 57.333 56.287 0.024 0.000 0.958 482 K CB 0.024 32.542 32.500 0.031 0.000 0.766 482 K HN 0.330 nan 8.250 nan 0.000 0.474 483 K N 0.331 120.668 120.400 -0.104 0.000 2.367 483 K HA 0.152 4.471 4.320 -0.001 0.000 0.198 483 K C 2.017 178.414 176.600 -0.338 0.000 1.132 483 K CA 0.027 56.130 56.287 -0.307 0.000 0.941 483 K CB 0.049 32.130 32.500 -0.699 0.000 1.052 483 K HN 0.029 nan 8.250 nan 0.000 0.507 484 L N 1.392 122.453 121.223 -0.271 0.000 2.056 484 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 484 L C 2.378 179.171 176.870 -0.129 0.000 1.078 484 L CA 1.329 55.977 54.840 -0.320 0.000 0.749 484 L CB -0.250 41.804 42.059 -0.008 0.000 0.901 484 L HN 0.139 nan 8.230 nan 0.000 0.433 485 A N 0.784 123.574 122.820 -0.050 0.000 1.877 485 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 485 A C -0.166 177.369 177.584 -0.082 0.000 1.186 485 A CA 1.772 53.799 52.037 -0.017 0.000 0.620 485 A CB -1.953 17.063 19.000 0.027 0.000 0.822 485 A HN 0.446 nan 8.150 nan 0.000 0.443 486 P HA -0.124 nan 4.420 nan 0.000 0.219 486 P C 1.549 178.621 177.300 -0.381 0.000 1.150 486 P CA 0.919 63.721 63.100 -0.496 0.000 0.814 486 P CB -0.228 31.199 31.700 -0.455 0.000 0.787 487 F N 1.646 121.498 119.950 -0.163 0.000 2.095 487 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 487 F C 1.985 177.877 175.800 0.152 0.000 1.104 487 F CA 1.437 59.460 58.000 0.039 0.000 1.232 487 F CB -1.120 37.757 39.000 -0.205 0.000 0.987 487 F HN -0.319 nan 8.300 nan 0.000 0.475 488 V N -0.220 119.577 119.914 -0.195 0.000 2.427 488 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 488 V C 2.275 178.411 176.094 0.069 0.000 1.051 488 V CA 2.271 64.489 62.300 -0.136 0.000 1.048 488 V CB -1.046 30.789 31.823 0.020 0.000 0.666 488 V HN 0.439 nan 8.190 nan 0.000 0.456 489 T N -1.094 113.480 114.554 0.034 0.000 2.812 489 T HA -0.121 4.229 4.350 -0.001 0.000 0.264 489 T C 1.732 176.584 174.700 0.253 0.000 1.042 489 T CA 1.352 63.528 62.100 0.128 0.000 1.140 489 T CB -0.362 68.558 68.868 0.088 0.000 0.870 489 T HN 0.519 nan 8.240 nan 0.000 0.445 490 Y N -0.491 119.871 120.300 0.104 0.000 2.497 490 Y HA 0.045 4.595 4.550 -0.001 0.000 0.292 490 Y C 1.531 177.398 175.900 -0.054 0.000 1.137 490 Y CA 0.076 58.172 58.100 -0.006 0.000 1.285 490 Y CB -0.245 38.175 38.460 -0.067 0.000 0.991 490 Y HN 0.185 nan 8.280 nan 0.000 0.556 491 F N -0.227 119.852 119.950 0.214 0.000 2.727 491 F HA 0.150 4.677 4.527 -0.001 0.000 0.302 491 F C 0.694 176.745 175.800 0.417 0.000 1.097 491 F CA -0.228 57.922 58.000 0.251 0.000 1.330 491 F CB 0.106 39.181 39.000 0.125 0.000 1.084 491 F HN -0.155 nan 8.300 nan 0.000 0.578 492 L N 1.452 122.942 121.223 0.445 0.000 2.473 492 L HA 0.121 4.460 4.340 -0.001 0.000 0.268 492 L C -2.038 175.000 176.870 0.280 0.000 1.215 492 L CA -1.900 53.111 54.840 0.286 0.000 0.823 492 L CB -0.098 42.092 42.059 0.219 0.000 1.099 492 L HN -0.192 nan 8.230 nan 0.000 0.483 493 P HA 0.090 nan 4.420 nan 0.000 0.271 493 P C -0.414 176.967 177.300 0.135 0.000 1.218 493 P CA -0.059 63.120 63.100 0.132 0.000 0.780 493 P CB 0.393 31.987 31.700 -0.176 0.000 0.901 494 N N -1.820 116.946 118.700 0.110 0.000 2.800 494 N HA -0.137 4.603 4.740 -0.001 0.000 0.250 494 N C -0.299 175.279 175.510 0.114 0.000 1.078 494 N CA 1.215 54.337 53.050 0.121 0.000 0.804 494 N CB -1.860 36.714 38.487 0.144 0.000 1.135 494 N HN 0.613 nan 8.380 nan 0.000 0.565 495 S N 0.103 115.805 115.700 0.003 0.000 2.610 495 S HA 0.699 5.168 4.470 -0.001 0.000 0.273 495 S C 0.347 174.763 174.600 -0.307 0.000 1.274 495 S CA -0.621 57.373 58.200 -0.343 0.000 1.023 495 S CB 1.805 64.891 63.200 -0.190 0.000 0.962 495 S HN 0.230 nan 8.310 nan 0.000 0.523 496 I N 2.178 122.485 120.570 -0.439 0.000 2.495 496 I HA 0.324 4.493 4.170 -0.001 0.000 0.277 496 I C -2.680 173.281 176.117 -0.260 0.000 1.045 496 I CA -2.451 58.687 61.300 -0.269 0.000 1.135 496 I CB 1.761 39.625 38.000 -0.227 0.000 1.241 496 I HN 0.399 nan 8.210 nan 0.000 0.469 497 P HA -0.119 nan 4.420 nan 0.000 0.260 497 P C -1.295 175.805 177.300 -0.333 0.000 1.172 497 P CA 0.559 63.352 63.100 -0.511 0.000 0.760 497 P CB 0.046 31.287 31.700 -0.766 0.000 0.773 498 Y N 4.377 124.495 120.300 -0.303 0.000 2.341 498 Y HA 0.493 5.042 4.550 -0.001 0.000 0.338 498 Y C -0.967 174.938 175.900 0.009 0.000 0.965 498 Y CA -0.798 57.238 58.100 -0.107 0.000 1.108 498 Y CB 1.349 39.792 38.460 -0.030 0.000 1.180 498 Y HN 0.052 nan 8.280 nan 0.000 0.458 499 V N 7.223 126.797 119.914 -0.567 0.000 2.378 499 V HA 0.228 4.348 4.120 -0.001 0.000 0.288 499 V C -0.262 175.442 176.094 -0.651 0.000 1.016 499 V CA -1.018 61.105 62.300 -0.295 0.000 0.840 499 V CB 1.245 33.059 31.823 -0.015 0.000 0.994 499 V HN 0.852 nan 8.190 nan 0.000 0.431 500 N N 2.442 120.933 118.700 -0.350 0.000 2.514 500 N HA 0.080 4.819 4.740 -0.001 0.000 0.277 500 N C 0.162 175.524 175.510 -0.247 0.000 1.126 500 N CA -0.195 52.715 53.050 -0.233 0.000 0.978 500 N CB 1.044 39.598 38.487 0.111 0.000 1.106 500 N HN 0.662 nan 8.380 nan 0.000 0.461 501 T N 2.256 116.577 114.554 -0.387 0.000 2.831 501 T HA 0.198 4.548 4.350 -0.001 0.000 0.291 501 T C 1.180 175.871 174.700 -0.015 0.000 0.981 501 T CA 1.415 63.365 62.100 -0.250 0.000 1.174 501 T CB -0.434 68.338 68.868 -0.161 0.000 0.929 501 T HN 0.795 nan 8.240 nan 0.000 0.532 502 G N 3.788 112.624 108.800 0.059 0.000 2.279 502 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.223 502 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.223 502 G C 0.930 175.837 174.900 0.012 0.000 1.015 502 G CA 0.803 45.888 45.100 -0.026 0.000 0.621 502 G HN 0.723 nan 8.290 nan 0.000 0.506 503 Q N 0.828 120.660 119.800 0.054 0.000 2.096 503 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 503 Q C 2.430 178.498 176.000 0.114 0.000 0.982 503 Q CA 2.099 57.951 55.803 0.081 0.000 0.850 503 Q CB -0.252 28.546 28.738 0.100 0.000 0.901 503 Q HN 0.749 nan 8.270 nan 0.000 0.422 504 E N 0.944 121.239 120.200 0.158 0.000 2.333 504 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 504 E C 1.514 178.208 176.600 0.158 0.000 1.007 504 E CA 1.321 57.829 56.400 0.180 0.000 0.845 504 E CB -0.369 29.465 29.700 0.225 0.000 0.766 504 E HN 0.744 nan 8.360 nan 0.000 0.507 505 I N -4.153 116.472 120.570 0.091 0.000 4.009 505 I HA 0.524 4.693 4.170 -0.001 0.000 0.331 505 I C 0.946 177.075 176.117 0.020 0.000 1.462 505 I CA -0.075 61.254 61.300 0.047 0.000 1.117 505 I CB 0.672 38.633 38.000 -0.064 0.000 1.091 505 I HN 0.005 nan 8.210 nan 0.000 0.410 506 G N 1.964 110.786 108.800 0.038 0.000 2.221 506 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.265 506 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.265 506 G C -0.033 174.862 174.900 -0.008 0.000 1.041 506 G CA 0.501 45.615 45.100 0.024 0.000 0.807 506 G HN 0.648 nan 8.290 nan 0.000 0.502 507 E N -0.205 119.986 120.200 -0.015 0.000 2.413 507 E HA 0.432 4.782 4.350 -0.001 0.000 0.263 507 E C 1.464 178.052 176.600 -0.020 0.000 1.015 507 E CA 0.460 56.849 56.400 -0.019 0.000 0.916 507 E CB 0.407 30.109 29.700 0.003 0.000 0.947 507 E HN 0.451 nan 8.360 nan 0.000 0.440 508 K N 2.304 122.682 120.400 -0.037 0.000 2.273 508 K HA 0.019 4.339 4.320 -0.001 0.000 0.206 508 K C 0.138 176.716 176.600 -0.037 0.000 1.072 508 K CA -0.069 56.196 56.287 -0.036 0.000 0.953 508 K CB 0.140 32.611 32.500 -0.048 0.000 1.043 508 K HN 0.420 nan 8.250 nan 0.000 0.477 509 Q N 3.326 123.112 119.800 -0.023 0.000 2.263 509 Q HA 0.008 4.347 4.340 -0.001 0.000 0.289 509 Q C -2.381 173.533 176.000 -0.143 0.000 1.061 509 Q CA -1.335 54.432 55.803 -0.059 0.000 0.927 509 Q CB 0.507 29.253 28.738 0.013 0.000 1.154 509 Q HN -0.010 nan 8.270 nan 0.000 0.378 510 P HA -0.029 nan 4.420 nan 0.000 0.274 510 P C -0.277 176.858 177.300 -0.276 0.000 1.237 510 P CA 0.119 63.102 63.100 -0.195 0.000 0.793 510 P CB 0.755 32.350 31.700 -0.174 0.000 0.977 511 M N -0.100 119.335 119.600 -0.276 0.000 2.476 511 M HA 0.062 4.541 4.480 -0.001 0.000 0.262 511 M C 0.629 176.680 176.300 -0.415 0.000 1.111 511 M CA 1.023 56.153 55.300 -0.282 0.000 1.127 511 M CB -0.229 32.304 32.600 -0.112 0.000 1.376 511 M HN 0.445 nan 8.290 nan 0.000 0.465 512 N N -0.545 117.858 118.700 -0.494 0.000 2.636 512 N HA 0.258 4.998 4.740 -0.001 0.000 0.261 512 N C -1.226 174.090 175.510 -0.324 0.000 1.195 512 N CA -0.441 52.282 53.050 -0.545 0.000 0.902 512 N CB 1.218 38.946 38.487 -1.265 0.000 1.627 512 N HN 0.018 nan 8.380 nan 0.000 0.491 513 L N 1.883 123.006 121.223 -0.167 0.000 2.805 513 L HA 0.375 4.714 4.340 -0.001 0.000 0.237 513 L C 1.778 178.581 176.870 -0.113 0.000 1.252 513 L CA -0.081 54.689 54.840 -0.118 0.000 1.064 513 L CB -0.507 41.521 42.059 -0.052 0.000 1.361 513 L HN 0.756 nan 8.230 nan 0.000 0.474 514 G N 0.855 109.545 108.800 -0.182 0.000 2.705 514 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.214 514 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.214 514 G C 0.699 175.541 174.900 -0.097 0.000 1.321 514 G CA 0.052 45.065 45.100 -0.145 0.000 0.826 514 G HN 0.162 nan 8.290 nan 0.000 0.595 515 L N 0.610 121.753 121.223 -0.133 0.000 2.305 515 L HA 0.252 4.592 4.340 -0.001 0.000 0.281 515 L C 0.473 177.337 176.870 -0.011 0.000 1.085 515 L CA -0.048 54.761 54.840 -0.052 0.000 0.813 515 L CB 1.243 43.272 42.059 -0.050 0.000 1.157 515 L HN 0.525 nan 8.230 nan 0.000 0.436 516 D N 1.252 121.716 120.400 0.106 0.000 2.713 516 D HA -0.183 4.456 4.640 -0.001 0.000 0.231 516 D C -0.496 175.867 176.300 0.104 0.000 1.173 516 D CA 0.910 55.018 54.000 0.179 0.000 0.628 516 D CB -0.184 40.924 40.800 0.515 0.000 1.033 516 D HN 0.605 nan 8.370 nan 0.000 0.419 517 T N 0.590 115.155 114.554 0.018 0.000 2.855 517 T HA 0.387 4.736 4.350 -0.001 0.000 0.281 517 T C -0.527 174.169 174.700 -0.006 0.000 1.007 517 T CA -0.833 61.258 62.100 -0.014 0.000 1.009 517 T CB 1.690 70.512 68.868 -0.077 0.000 0.983 517 T HN 0.174 nan 8.240 nan 0.000 0.455 518 D N 2.172 122.568 120.400 -0.006 0.000 2.274 518 D HA 0.370 5.009 4.640 -0.001 0.000 0.239 518 D C -1.622 174.665 176.300 -0.021 0.000 1.104 518 D CA -2.419 51.577 54.000 -0.007 0.000 0.840 518 D CB 1.585 42.386 40.800 0.002 0.000 1.100 518 D HN 0.036 nan 8.370 nan 0.000 0.477 519 P HA -0.153 nan 4.420 nan 0.000 0.218 519 P C 0.716 177.998 177.300 -0.029 0.000 1.146 519 P CA 0.805 63.889 63.100 -0.027 0.000 0.820 519 P CB 0.212 31.900 31.700 -0.020 0.000 0.778 520 N N -0.998 117.691 118.700 -0.018 0.000 2.453 520 N HA -0.037 4.703 4.740 -0.001 0.000 0.183 520 N C 1.529 177.026 175.510 -0.021 0.000 1.041 520 N CA 0.674 53.717 53.050 -0.012 0.000 0.900 520 N CB -0.501 37.986 38.487 -0.000 0.000 0.961 520 N HN 0.264 nan 8.380 nan 0.000 0.443 521 L N 0.403 121.606 121.223 -0.033 0.000 2.362 521 L HA -0.022 4.318 4.340 -0.001 0.000 0.219 521 L C 2.337 179.164 176.870 -0.072 0.000 1.134 521 L CA 0.454 55.268 54.840 -0.044 0.000 0.807 521 L CB -0.170 41.859 42.059 -0.051 0.000 0.927 521 L HN 0.065 nan 8.230 nan 0.000 0.447 522 R N 1.493 121.940 120.500 -0.088 0.000 2.293 522 R HA -0.138 4.202 4.340 -0.001 0.000 0.219 522 R C 0.861 177.018 176.300 -0.239 0.000 1.091 522 R CA 0.980 56.993 56.100 -0.145 0.000 1.004 522 R CB 0.148 30.373 30.300 -0.124 0.000 0.865 522 R HN 0.406 nan 8.270 nan 0.000 0.469 523 K N -0.568 119.752 120.400 -0.133 0.000 2.758 523 K HA 0.103 4.423 4.320 -0.001 0.000 0.208 523 K C 0.945 177.614 176.600 0.114 0.000 1.091 523 K CA 0.065 56.305 56.287 -0.078 0.000 1.059 523 K CB 1.150 33.722 32.500 0.120 0.000 0.801 523 K HN -0.004 nan 8.250 nan 0.000 0.470 524 V N -1.867 118.074 119.914 0.046 0.000 2.970 524 V HA 0.076 4.195 4.120 -0.001 0.000 0.260 524 V C 0.896 177.064 176.094 0.124 0.000 1.100 524 V CA 0.354 62.697 62.300 0.070 0.000 1.122 524 V CB -0.733 31.101 31.823 0.017 0.000 0.721 524 V HN 0.250 nan 8.190 nan 0.000 0.483 525 L N 1.112 122.457 121.223 0.203 0.000 2.456 525 L HA 0.376 4.715 4.340 -0.001 0.000 0.257 525 L C 0.894 177.972 176.870 0.347 0.000 1.162 525 L CA 0.070 55.069 54.840 0.266 0.000 0.808 525 L CB 1.065 43.329 42.059 0.342 0.000 1.136 525 L HN 0.228 nan 8.230 nan 0.000 0.466 526 S N 1.964 117.779 115.700 0.191 0.000 2.549 526 S HA 0.122 4.592 4.470 -0.001 0.000 0.286 526 S C -1.296 173.254 174.600 -0.084 0.000 1.314 526 S CA -1.097 57.137 58.200 0.057 0.000 1.062 526 S CB 0.644 63.863 63.200 0.031 0.000 0.865 526 S HN 0.468 nan 8.310 nan 0.000 0.498 527 P HA -0.033 nan 4.420 nan 0.000 0.231 527 P C 0.854 177.953 177.300 -0.335 0.000 1.158 527 P CA 0.925 63.545 63.100 -0.799 0.000 0.763 527 P CB -0.454 30.842 31.700 -0.674 0.000 0.805 528 T N -5.319 109.149 114.554 -0.143 0.000 3.069 528 T HA 0.079 4.429 4.350 -0.001 0.000 0.252 528 T C 0.535 175.240 174.700 0.007 0.000 1.053 528 T CA -0.370 61.697 62.100 -0.055 0.000 0.964 528 T CB -0.347 68.499 68.868 -0.038 0.000 1.005 528 T HN -0.075 nan 8.240 nan 0.000 0.532 529 D N 2.047 122.485 120.400 0.063 0.000 2.308 529 D HA 0.067 4.707 4.640 -0.001 0.000 0.251 529 D C 1.098 177.457 176.300 0.098 0.000 1.127 529 D CA -0.130 53.947 54.000 0.128 0.000 0.876 529 D CB 1.518 42.474 40.800 0.261 0.000 1.176 529 D HN 0.415 nan 8.370 nan 0.000 0.446 530 E N 2.786 122.960 120.200 -0.043 0.000 2.147 530 E HA -0.239 4.111 4.350 -0.001 0.000 0.199 530 E C 0.590 176.953 176.600 -0.395 0.000 1.005 530 E CA 1.334 57.585 56.400 -0.248 0.000 0.810 530 E CB -0.048 29.323 29.700 -0.547 0.000 0.736 530 E HN 0.508 nan 8.360 nan 0.000 0.460 531 F N 0.084 120.102 119.950 0.113 0.000 2.660 531 F HA 0.195 4.722 4.527 -0.001 0.000 0.297 531 F C 0.212 176.178 175.800 0.276 0.000 1.132 531 F CA -0.787 57.310 58.000 0.161 0.000 1.372 531 F CB 0.015 39.016 39.000 0.001 0.000 1.003 531 F HN -0.051 nan 8.300 nan 0.000 0.524 532 F N 1.416 121.488 119.950 0.204 0.000 2.623 532 F HA 0.339 4.865 4.527 -0.002 0.000 0.383 532 F C 1.317 177.212 175.800 0.159 0.000 1.077 532 F CA 0.754 58.856 58.000 0.170 0.000 1.268 532 F CB 0.387 39.447 39.000 0.099 0.000 1.053 532 F HN 0.321 nan 8.300 nan 0.000 0.571 533 G N 3.656 112.046 108.800 -0.684 0.000 2.212 533 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.266 533 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.266 533 G C 0.259 175.079 174.900 -0.133 0.000 0.978 533 G CA 0.246 45.024 45.100 -0.536 0.000 0.632 533 G HN 0.602 nan 8.290 nan 0.000 0.537 534 K N 0.173 120.604 120.400 0.052 0.000 2.185 534 K HA 0.641 4.961 4.320 -0.001 0.000 0.271 534 K C 0.272 176.866 176.600 -0.011 0.000 1.013 534 K CA -0.346 56.025 56.287 0.139 0.000 0.943 534 K CB 1.340 34.078 32.500 0.397 0.000 0.998 534 K HN 0.298 nan 8.250 nan 0.000 0.468 535 L N 2.059 123.285 121.223 0.006 0.000 2.342 535 L HA 0.256 4.596 4.340 -0.001 0.000 0.276 535 L C 1.285 178.104 176.870 -0.085 0.000 0.997 535 L CA -0.624 54.159 54.840 -0.095 0.000 0.838 535 L CB 1.688 43.778 42.059 0.053 0.000 1.224 535 L HN 0.736 nan 8.230 nan 0.000 0.416 536 A N 2.927 125.625 122.820 -0.203 0.000 2.009 536 A HA -0.246 4.073 4.320 -0.001 0.000 0.222 536 A C 1.783 179.348 177.584 -0.032 0.000 1.175 536 A CA 1.942 53.944 52.037 -0.057 0.000 0.651 536 A CB -0.530 18.436 19.000 -0.056 0.000 0.815 536 A HN 0.666 nan 8.150 nan 0.000 0.459 537 F N -1.709 117.939 119.950 -0.504 0.000 2.365 537 F HA 0.006 4.532 4.527 -0.001 0.000 0.300 537 F C 1.149 176.463 175.800 -0.810 0.000 1.090 537 F CA 1.002 58.517 58.000 -0.809 0.000 1.408 537 F CB -0.266 37.885 39.000 -1.415 0.000 1.060 537 F HN 0.329 nan 8.300 nan 0.000 0.534 538 F N -2.455 117.590 119.950 0.160 0.000 2.899 538 F HA 0.301 4.827 4.527 -0.001 0.000 0.337 538 F C -0.270 175.534 175.800 0.006 0.000 1.129 538 F CA -0.624 57.422 58.000 0.076 0.000 1.128 538 F CB 0.316 39.364 39.000 0.081 0.000 1.154 538 F HN -0.347 nan 8.300 nan 0.000 0.531 539 D N -1.013 119.462 120.400 0.124 0.000 2.596 539 D HA 0.193 4.832 4.640 -0.001 0.000 0.234 539 D C -0.937 175.403 176.300 0.066 0.000 1.181 539 D CA -0.586 53.438 54.000 0.041 0.000 0.856 539 D CB 1.389 42.271 40.800 0.136 0.000 1.498 539 D HN 0.136 nan 8.370 nan 0.000 0.446 540 H N 0.358 119.522 119.070 0.157 0.000 2.848 540 H HA 0.241 4.797 4.556 -0.001 0.000 0.317 540 H C -0.907 174.453 175.328 0.053 0.000 1.046 540 H CA 0.140 56.224 56.048 0.061 0.000 1.470 540 H CB 0.610 30.437 29.762 0.109 0.000 1.483 540 H HN 0.233 nan 8.280 nan 0.000 0.548 541 Y N 2.828 122.984 120.300 -0.239 0.000 2.396 541 Y HA 0.320 4.869 4.550 -0.001 0.000 0.332 541 Y C -1.561 173.851 175.900 -0.813 0.000 1.034 541 Y CA -0.888 56.834 58.100 -0.630 0.000 1.057 541 Y CB 1.203 39.489 38.460 -0.290 0.000 1.220 541 Y HN 0.380 nan 8.280 nan 0.000 0.440 542 V N 7.454 126.199 119.914 -1.947 0.000 2.347 542 V HA 0.317 4.436 4.120 -0.001 0.000 0.280 542 V C 0.157 175.629 176.094 -1.037 0.000 1.021 542 V CA -0.883 60.755 62.300 -1.103 0.000 0.847 542 V CB 0.929 32.238 31.823 -0.856 0.000 0.990 542 V HN 0.704 nan 8.190 nan 0.000 0.444 543 L N 3.895 124.872 121.223 -0.409 0.000 2.503 543 L HA 0.073 4.413 4.340 -0.001 0.000 0.287 543 L C 0.598 177.192 176.870 -0.459 0.000 1.252 543 L CA -0.056 54.592 54.840 -0.320 0.000 0.835 543 L CB -0.078 41.734 42.059 -0.411 0.000 1.099 543 L HN 0.671 nan 8.230 nan 0.000 0.516 544 H N 0.610 119.479 119.070 -0.336 0.000 2.983 544 H HA 0.019 4.575 4.556 -0.001 0.000 0.222 544 H C 0.258 175.474 175.328 -0.188 0.000 1.828 544 H CA -0.005 55.922 56.048 -0.201 0.000 1.309 544 H CB -0.487 29.213 29.762 -0.104 0.000 1.644 544 H HN 0.498 nan 8.280 nan 0.000 0.561 545 W N 0.247 121.515 121.300 -0.053 0.000 2.350 545 W HA -0.142 4.518 4.660 -0.000 0.000 0.289 545 W C 1.273 177.719 176.519 -0.122 0.000 1.215 545 W CA 0.636 57.905 57.345 -0.126 0.000 1.236 545 W CB 0.198 29.461 29.460 -0.329 0.000 1.130 545 W HN 0.390 nan 8.180 nan 0.000 0.541 546 D N -0.661 119.811 120.400 0.120 0.000 2.277 546 D HA -0.052 4.587 4.640 -0.001 0.000 0.208 546 D C 0.984 177.317 176.300 0.054 0.000 0.962 546 D CA 1.345 55.378 54.000 0.055 0.000 0.865 546 D CB -0.266 40.560 40.800 0.044 0.000 0.939 546 D HN 0.142 nan 8.370 nan 0.000 0.510 547 S N 0.665 116.412 115.700 0.079 0.000 2.204 547 S HA 0.351 4.820 4.470 -0.001 0.000 0.178 547 S C -2.513 172.123 174.600 0.060 0.000 1.493 547 S CA -1.115 57.127 58.200 0.070 0.000 1.266 547 S CB 1.493 64.745 63.200 0.087 0.000 1.232 547 S HN -0.111 nan 8.310 nan 0.000 0.406 548 P HA 0.340 nan 4.420 nan 0.000 0.276 548 P C -0.979 176.347 177.300 0.043 0.000 1.252 548 P CA -0.170 62.953 63.100 0.039 0.000 0.802 548 P CB 0.796 32.533 31.700 0.062 0.000 1.035 549 D N 1.365 121.789 120.400 0.040 0.000 2.483 549 D HA 0.079 4.719 4.640 -0.001 0.000 0.220 549 D C 1.206 177.549 176.300 0.073 0.000 1.173 549 D CA -0.153 53.875 54.000 0.046 0.000 0.964 549 D CB 0.079 40.903 40.800 0.040 0.000 1.046 549 D HN 0.196 nan 8.370 nan 0.000 0.517 550 R N 1.485 122.028 120.500 0.073 0.000 2.127 550 R HA -0.093 4.247 4.340 -0.001 0.000 0.238 550 R C 2.104 178.464 176.300 0.099 0.000 1.134 550 R CA 1.238 57.392 56.100 0.090 0.000 0.975 550 R CB -0.010 30.336 30.300 0.077 0.000 0.865 550 R HN 0.390 nan 8.270 nan 0.000 0.447 551 G N 0.172 109.022 108.800 0.084 0.000 2.422 551 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 551 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 551 G C 1.400 176.386 174.900 0.143 0.000 1.146 551 G CA 0.629 45.784 45.100 0.092 0.000 0.769 551 G HN 0.145 nan 8.290 nan 0.000 0.547 552 V N 0.498 120.493 119.914 0.135 0.000 2.379 552 V HA -0.054 4.066 4.120 -0.001 0.000 0.245 552 V C 2.610 178.835 176.094 0.218 0.000 1.044 552 V CA 1.353 63.766 62.300 0.187 0.000 1.036 552 V CB -0.299 31.606 31.823 0.137 0.000 0.664 552 V HN 0.344 nan 8.190 nan 0.000 0.453 553 L N 1.221 122.546 121.223 0.169 0.000 1.989 553 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 553 L C 2.181 179.137 176.870 0.142 0.000 1.071 553 L CA 2.638 57.572 54.840 0.158 0.000 0.749 553 L CB -1.082 41.078 42.059 0.168 0.000 0.890 553 L HN 0.434 nan 8.230 nan 0.000 0.431 554 N N -1.300 117.492 118.700 0.154 0.000 2.120 554 N HA -0.288 4.451 4.740 -0.001 0.000 0.188 554 N C 1.822 177.446 175.510 0.191 0.000 1.024 554 N CA 1.801 54.939 53.050 0.147 0.000 0.852 554 N CB -0.440 38.132 38.487 0.141 0.000 1.003 554 N HN 0.454 nan 8.380 nan 0.000 0.424 555 F N 0.618 120.639 119.950 0.117 0.000 2.146 555 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 555 F C 1.877 177.800 175.800 0.204 0.000 1.096 555 F CA 0.867 58.967 58.000 0.166 0.000 1.275 555 F CB -0.137 38.948 39.000 0.141 0.000 1.008 555 F HN 0.022 nan 8.300 nan 0.000 0.480 556 I N 0.831 121.485 120.570 0.140 0.000 2.179 556 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 556 I C 2.255 178.348 176.117 -0.040 0.000 1.088 556 I CA 1.482 62.818 61.300 0.060 0.000 1.357 556 I CB -1.365 36.728 38.000 0.154 0.000 1.051 556 I HN 0.204 nan 8.210 nan 0.000 0.409 557 K N 0.835 121.220 120.400 -0.026 0.000 2.032 557 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 557 K C 2.105 178.668 176.600 -0.061 0.000 1.048 557 K CA 1.530 57.782 56.287 -0.059 0.000 0.927 557 K CB -0.136 32.340 32.500 -0.040 0.000 0.712 557 K HN 0.314 nan 8.250 nan 0.000 0.441 558 K N 0.528 120.911 120.400 -0.029 0.000 2.097 558 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 558 K C 2.099 178.632 176.600 -0.113 0.000 1.050 558 K CA 0.752 57.048 56.287 0.016 0.000 0.938 558 K CB -0.124 32.492 32.500 0.194 0.000 0.718 558 K HN 0.031 nan 8.250 nan 0.000 0.442 559 L N 1.432 122.526 121.223 -0.214 0.000 2.027 559 L HA -0.149 4.190 4.340 -0.001 0.000 0.206 559 L C 1.892 178.659 176.870 -0.171 0.000 1.074 559 L CA 1.588 56.278 54.840 -0.251 0.000 0.745 559 L CB -0.375 41.526 42.059 -0.264 0.000 0.898 559 L HN 0.056 nan 8.230 nan 0.000 0.433 560 I N 0.235 120.728 120.570 -0.130 0.000 2.208 560 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 560 I C 2.564 178.568 176.117 -0.190 0.000 1.097 560 I CA 1.583 62.773 61.300 -0.185 0.000 1.363 560 I CB -1.241 36.621 38.000 -0.230 0.000 1.051 560 I HN 0.485 nan 8.210 nan 0.000 0.413 561 K N 0.738 121.050 120.400 -0.147 0.000 2.057 561 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 561 K C 2.107 178.677 176.600 -0.050 0.000 1.049 561 K CA 1.273 57.508 56.287 -0.085 0.000 0.931 561 K CB 0.141 32.610 32.500 -0.052 0.000 0.714 561 K HN 0.123 nan 8.250 nan 0.000 0.440 562 V N 1.500 121.327 119.914 -0.145 0.000 2.453 562 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 562 V C 2.532 178.721 176.094 0.159 0.000 1.048 562 V CA 1.350 63.603 62.300 -0.078 0.000 1.049 562 V CB -0.513 30.931 31.823 -0.631 0.000 0.672 562 V HN 0.366 nan 8.190 nan 0.000 0.457 563 R N -0.217 120.269 120.500 -0.024 0.000 2.096 563 R HA -0.193 4.146 4.340 -0.001 0.000 0.235 563 R C 2.194 178.525 176.300 0.051 0.000 1.127 563 R CA 1.803 57.783 56.100 -0.200 0.000 0.968 563 R CB -0.427 29.560 30.300 -0.522 0.000 0.861 563 R HN 0.529 nan 8.270 nan 0.000 0.440 564 H N 0.094 119.104 119.070 -0.101 0.000 2.495 564 H HA 0.003 4.559 4.556 -0.001 0.000 0.287 564 H C 1.680 176.973 175.328 -0.059 0.000 1.033 564 H CA 1.276 57.278 56.048 -0.078 0.000 1.307 564 H CB 0.093 29.800 29.762 -0.091 0.000 1.401 564 H HN 0.412 nan 8.280 nan 0.000 0.555 565 E N -0.483 119.730 120.200 0.022 0.000 2.338 565 E HA -0.112 4.237 4.350 -0.001 0.000 0.197 565 E C 0.137 176.471 176.600 -0.443 0.000 1.007 565 E CA 0.711 56.979 56.400 -0.220 0.000 0.849 565 E CB 0.080 29.620 29.700 -0.267 0.000 0.774 565 E HN 0.393 nan 8.360 nan 0.000 0.506 566 F N -0.354 119.675 119.950 0.133 0.000 2.735 566 F HA 0.157 4.684 4.527 -0.001 0.000 0.308 566 F C 1.112 177.020 175.800 0.180 0.000 1.112 566 F CA -0.504 57.634 58.000 0.230 0.000 1.235 566 F CB 0.455 39.606 39.000 0.252 0.000 1.027 566 F HN 0.025 nan 8.300 nan 0.000 0.528 567 L N 0.923 122.205 121.223 0.098 0.000 2.103 567 L HA -0.276 4.063 4.340 -0.001 0.000 0.215 567 L C 1.994 178.858 176.870 -0.010 0.000 1.080 567 L CA 2.052 56.863 54.840 -0.049 0.000 0.764 567 L CB -0.651 41.243 42.059 -0.275 0.000 0.890 567 L HN 0.160 nan 8.230 nan 0.000 0.435 568 D N -1.498 118.919 120.400 0.029 0.000 2.178 568 D HA -0.228 4.412 4.640 -0.001 0.000 0.201 568 D C 1.927 178.182 176.300 -0.075 0.000 0.980 568 D CA 1.358 55.331 54.000 -0.046 0.000 0.842 568 D CB -0.145 40.596 40.800 -0.098 0.000 0.948 568 D HN 0.425 nan 8.370 nan 0.000 0.472 569 F N -0.143 119.806 119.950 -0.002 0.000 2.098 569 F HA -0.093 4.433 4.527 -0.001 0.000 0.294 569 F C 2.578 178.132 175.800 -0.410 0.000 1.107 569 F CA 0.642 58.613 58.000 -0.048 0.000 1.234 569 F CB -0.781 38.271 39.000 0.086 0.000 1.002 569 F HN -0.136 nan 8.300 nan 0.000 0.472 570 V N 0.546 120.255 119.914 -0.341 0.000 2.282 570 V HA -0.318 3.801 4.120 -0.001 0.000 0.249 570 V C 2.327 178.268 176.094 -0.255 0.000 1.057 570 V CA 1.822 63.739 62.300 -0.637 0.000 1.032 570 V CB -0.792 30.902 31.823 -0.215 0.000 0.645 570 V HN 0.328 nan 8.190 nan 0.000 0.447 571 L N 0.001 121.152 121.223 -0.121 0.000 2.095 571 L HA 0.001 4.340 4.340 -0.001 0.000 0.204 571 L C 1.588 178.450 176.870 -0.014 0.000 1.080 571 L CA 1.293 56.102 54.840 -0.052 0.000 0.759 571 L CB -0.342 41.680 42.059 -0.060 0.000 0.914 571 L HN 0.446 nan 8.230 nan 0.000 0.439 572 N N -0.565 118.120 118.700 -0.025 0.000 2.160 572 N HA 0.125 4.864 4.740 -0.001 0.000 0.226 572 N C 0.516 176.045 175.510 0.033 0.000 1.256 572 N CA 0.133 53.183 53.050 -0.001 0.000 0.890 572 N CB 1.161 39.624 38.487 -0.039 0.000 1.116 572 N HN 0.098 nan 8.380 nan 0.000 0.517 573 G N 0.694 109.551 108.800 0.094 0.000 2.448 573 G HA2 0.298 4.257 3.960 -0.001 0.000 0.285 573 G HA3 0.298 4.257 3.960 -0.001 0.000 0.285 573 G C -0.152 174.960 174.900 0.355 0.000 1.176 573 G CA -0.371 44.856 45.100 0.211 0.000 0.852 573 G HN -0.032 nan 8.290 nan 0.000 0.530 574 K N 0.786 121.353 120.400 0.277 0.000 2.383 574 K HA 0.135 4.454 4.320 -0.001 0.000 0.286 574 K C -0.542 176.236 176.600 0.297 0.000 1.051 574 K CA -0.143 56.296 56.287 0.252 0.000 0.974 574 K CB 0.929 33.519 32.500 0.151 0.000 0.968 574 K HN 0.422 nan 8.250 nan 0.000 0.475 575 F N 2.937 122.963 119.950 0.128 0.000 2.384 575 F HA 0.173 4.699 4.527 -0.001 0.000 0.338 575 F C -0.083 175.691 175.800 -0.043 0.000 1.103 575 F CA -0.264 57.711 58.000 -0.042 0.000 1.157 575 F CB 0.889 39.853 39.000 -0.059 0.000 1.167 575 F HN 0.496 nan 8.300 nan 0.000 0.529 576 E N 5.426 125.015 120.200 -1.018 0.000 2.274 576 E HA 0.165 4.515 4.350 -0.001 0.000 0.269 576 E C -1.653 174.328 176.600 -1.031 0.000 0.891 576 E CA -0.747 55.176 56.400 -0.796 0.000 0.784 576 E CB 1.187 30.687 29.700 -0.333 0.000 1.225 576 E HN 0.892 nan 8.360 nan 0.000 0.412 577 N N 4.190 122.402 118.700 -0.814 0.000 2.514 577 N HA 0.206 4.946 4.740 -0.001 0.000 0.277 577 N C 0.177 175.574 175.510 -0.189 0.000 1.126 577 N CA -0.035 52.773 53.050 -0.403 0.000 0.978 577 N CB 0.617 39.051 38.487 -0.088 0.000 1.106 577 N HN 0.483 nan 8.380 nan 0.000 0.461 578 L N 1.980 123.147 121.223 -0.094 0.000 3.333 578 L HA 0.183 4.522 4.340 -0.001 0.000 0.299 578 L C -0.046 176.816 176.870 -0.013 0.000 1.256 578 L CA -0.231 54.575 54.840 -0.058 0.000 1.037 578 L CB 0.795 42.812 42.059 -0.070 0.000 1.423 578 L HN 0.485 nan 8.230 nan 0.000 0.605 579 T N 1.377 115.939 114.554 0.013 0.000 2.928 579 T HA 0.263 4.613 4.350 -0.001 0.000 0.305 579 T C 0.671 175.379 174.700 0.014 0.000 1.035 579 T CA 0.402 62.520 62.100 0.031 0.000 1.145 579 T CB 1.000 69.898 68.868 0.049 0.000 0.963 579 T HN 0.391 nan 8.240 nan 0.000 0.545 580 T N -0.021 114.542 114.554 0.014 0.000 2.807 580 T HA 0.523 4.872 4.350 -0.001 0.000 0.277 580 T C 1.259 175.965 174.700 0.011 0.000 1.006 580 T CA -0.979 61.126 62.100 0.008 0.000 1.006 580 T CB 1.419 70.288 68.868 0.002 0.000 1.274 580 T HN 0.277 nan 8.240 nan 0.000 0.569 581 K N 0.761 121.166 120.400 0.007 0.000 2.044 581 K HA -0.126 4.193 4.320 -0.001 0.000 0.210 581 K C 1.114 177.719 176.600 0.009 0.000 1.049 581 K CA 2.491 58.783 56.287 0.008 0.000 0.927 581 K CB -0.631 31.872 32.500 0.004 0.000 0.713 581 K HN 0.793 nan 8.250 nan 0.000 0.443 582 D N -1.172 119.231 120.400 0.005 0.000 2.440 582 D HA 0.133 4.772 4.640 -0.001 0.000 0.216 582 D C -0.641 175.663 176.300 0.007 0.000 1.150 582 D CA -0.257 53.744 54.000 0.002 0.000 0.832 582 D CB 0.153 40.949 40.800 -0.006 0.000 0.992 582 D HN 0.073 nan 8.370 nan 0.000 0.502 583 L N 0.994 122.226 121.223 0.015 0.000 2.555 583 L HA 0.334 4.673 4.340 -0.001 0.000 0.264 583 L C -1.374 175.520 176.870 0.039 0.000 0.972 583 L CA -1.082 53.771 54.840 0.022 0.000 0.876 583 L CB 2.030 44.096 42.059 0.011 0.000 1.216 583 L HN -0.091 nan 8.230 nan 0.000 0.415 584 V N 6.975 126.925 119.914 0.060 0.000 2.455 584 V HA 0.676 4.796 4.120 -0.001 0.000 0.273 584 V C -0.221 175.931 176.094 0.097 0.000 1.045 584 V CA 0.116 62.471 62.300 0.091 0.000 0.976 584 V CB 1.030 32.917 31.823 0.107 0.000 0.993 584 V HN 0.936 nan 8.190 nan 0.000 0.475 585 M N 7.882 127.554 119.600 0.119 0.000 2.490 585 M HA 0.611 5.090 4.480 -0.001 0.000 0.286 585 M C -2.212 174.160 176.300 0.120 0.000 1.185 585 M CA -0.574 54.753 55.300 0.045 0.000 0.912 585 M CB 2.301 34.894 32.600 -0.012 0.000 1.744 585 M HN 0.837 nan 8.290 nan 0.000 0.494 586 Y N -0.031 120.197 120.300 -0.119 0.000 2.689 586 Y HA 0.864 5.413 4.550 -0.001 0.000 0.333 586 Y C -1.408 174.329 175.900 -0.271 0.000 1.208 586 Y CA -0.748 57.205 58.100 -0.245 0.000 1.055 586 Y CB 0.818 39.157 38.460 -0.202 0.000 1.304 586 Y HN 0.732 nan 8.280 nan 0.000 0.455 587 S N -0.163 115.384 115.700 -0.255 0.000 2.595 587 S HA 0.796 5.265 4.470 -0.001 0.000 0.281 587 S C -2.097 172.360 174.600 -0.238 0.000 1.117 587 S CA -0.860 57.211 58.200 -0.215 0.000 0.873 587 S CB 1.898 65.019 63.200 -0.132 0.000 1.108 587 S HN 0.696 nan 8.310 nan 0.000 0.477 588 Y N 0.168 120.563 120.300 0.158 0.000 2.391 588 Y HA 0.557 5.106 4.550 -0.001 0.000 0.341 588 Y C -0.475 175.628 175.900 0.339 0.000 0.965 588 Y CA -0.658 57.621 58.100 0.299 0.000 1.067 588 Y CB 2.178 40.903 38.460 0.441 0.000 1.199 588 Y HN 0.744 nan 8.280 nan 0.000 0.450 589 E N 2.743 123.201 120.200 0.430 0.000 2.234 589 E HA 0.575 4.924 4.350 -0.001 0.000 0.266 589 E C -1.354 175.390 176.600 0.240 0.000 0.877 589 E CA -1.275 55.328 56.400 0.338 0.000 0.758 589 E CB 2.593 32.406 29.700 0.188 0.000 1.170 589 E HN 0.355 nan 8.360 nan 0.000 0.415 590 K N 2.785 123.282 120.400 0.161 0.000 2.656 590 K HA 0.253 4.572 4.320 -0.001 0.000 0.253 590 K C -1.151 175.425 176.600 -0.039 0.000 1.002 590 K CA -0.467 55.790 56.287 -0.049 0.000 0.880 590 K CB 0.462 32.757 32.500 -0.341 0.000 1.232 590 K HN 0.760 nan 8.250 nan 0.000 0.456 591 N N 3.174 121.874 118.700 -0.000 0.000 2.746 591 N HA -0.214 4.526 4.740 -0.001 0.000 0.250 591 N C 0.417 175.960 175.510 0.055 0.000 1.055 591 N CA 0.485 53.543 53.050 0.013 0.000 0.699 591 N CB -0.830 37.647 38.487 -0.017 0.000 0.919 591 N HN 1.095 nan 8.380 nan 0.000 0.548 592 G N -0.508 108.335 108.800 0.072 0.000 2.220 592 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.269 592 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.269 592 G C 0.013 174.987 174.900 0.124 0.000 0.977 592 G CA 1.167 46.318 45.100 0.085 0.000 0.634 592 G HN 0.735 nan 8.290 nan 0.000 0.539 593 Q N -0.635 119.279 119.800 0.190 0.000 2.248 593 Q HA 0.810 5.149 4.340 -0.001 0.000 0.263 593 Q C -0.496 175.724 176.000 0.367 0.000 1.007 593 Q CA -0.967 55.001 55.803 0.274 0.000 0.877 593 Q CB 2.192 31.157 28.738 0.378 0.000 1.315 593 Q HN 0.288 nan 8.270 nan 0.000 0.454 594 K N 1.552 122.102 120.400 0.250 0.000 2.523 594 K HA 0.551 4.871 4.320 -0.001 0.000 0.257 594 K C -1.475 175.098 176.600 -0.046 0.000 0.932 594 K CA -0.779 55.613 56.287 0.174 0.000 0.812 594 K CB 1.872 34.438 32.500 0.110 0.000 1.326 594 K HN 0.844 nan 8.250 nan 0.000 0.433 595 I N 0.208 120.702 120.570 -0.128 0.000 2.646 595 I HA 0.662 4.832 4.170 -0.001 0.000 0.299 595 I C -1.251 174.773 176.117 -0.155 0.000 1.036 595 I CA -1.096 60.045 61.300 -0.266 0.000 1.074 595 I CB 2.175 39.845 38.000 -0.550 0.000 1.258 595 I HN 0.205 nan 8.210 nan 0.000 0.430 596 V N 5.852 125.647 119.914 -0.200 0.000 2.531 596 V HA 0.449 4.568 4.120 -0.001 0.000 0.301 596 V C -0.368 175.555 176.094 -0.286 0.000 1.034 596 V CA -0.392 61.780 62.300 -0.213 0.000 0.865 596 V CB 1.778 33.519 31.823 -0.137 0.000 0.995 596 V HN 0.528 nan 8.190 nan 0.000 0.424 597 I N 4.303 124.586 120.570 -0.478 0.000 2.321 597 I HA 0.764 4.934 4.170 -0.001 0.000 0.291 597 I C 0.401 176.335 176.117 -0.305 0.000 0.998 597 I CA 0.080 61.056 61.300 -0.540 0.000 1.227 597 I CB 1.554 38.865 38.000 -1.148 0.000 1.368 597 I HN 0.757 nan 8.210 nan 0.000 0.466 598 A N 5.042 127.874 122.820 0.020 0.000 2.449 598 A HA 0.994 5.313 4.320 -0.001 0.000 0.302 598 A C -1.182 176.543 177.584 0.236 0.000 1.048 598 A CA -0.532 51.548 52.037 0.073 0.000 0.708 598 A CB 1.677 20.692 19.000 0.025 0.000 1.274 598 A HN 0.846 nan 8.150 nan 0.000 0.410 599 A N 1.572 124.495 122.820 0.172 0.000 2.459 599 A HA 0.664 4.984 4.320 -0.001 0.000 0.296 599 A C -0.817 176.830 177.584 0.105 0.000 1.039 599 A CA -0.498 51.665 52.037 0.209 0.000 0.698 599 A CB 0.965 20.113 19.000 0.246 0.000 1.261 599 A HN 0.923 nan 8.150 nan 0.000 0.405 600 N N 1.933 120.677 118.700 0.073 0.000 2.420 600 N HA 0.366 5.105 4.740 -0.001 0.000 0.249 600 N C 0.252 175.765 175.510 0.006 0.000 1.033 600 N CA -0.290 52.773 53.050 0.022 0.000 0.944 600 N CB 0.849 39.330 38.487 -0.010 0.000 1.113 600 N HN 0.592 nan 8.380 nan 0.000 0.502 601 V N 1.296 121.212 119.914 0.002 0.000 3.043 601 V HA 0.527 4.646 4.120 -0.001 0.000 0.357 601 V C 0.877 176.947 176.094 -0.039 0.000 1.372 601 V CA -0.481 61.805 62.300 -0.022 0.000 1.214 601 V CB -0.114 31.711 31.823 0.004 0.000 1.224 601 V HN 0.510 nan 8.190 nan 0.000 0.507 602 G N 0.398 109.175 108.800 -0.040 0.000 2.642 602 G HA2 0.475 4.434 3.960 -0.001 0.000 0.291 602 G HA3 0.475 4.434 3.960 -0.001 0.000 0.291 602 G C 0.263 175.129 174.900 -0.056 0.000 1.345 602 G CA -0.346 44.731 45.100 -0.038 0.000 1.043 602 G HN 0.197 nan 8.290 nan 0.000 0.528 603 K N -0.951 119.424 120.400 -0.042 0.000 2.334 603 K HA 0.195 4.515 4.320 -0.001 0.000 0.195 603 K C 0.334 176.910 176.600 -0.040 0.000 1.045 603 K CA 0.609 56.870 56.287 -0.044 0.000 1.004 603 K CB 0.294 32.778 32.500 -0.028 0.000 0.837 603 K HN 0.314 nan 8.250 nan 0.000 0.510 604 E N 1.226 121.406 120.200 -0.035 0.000 2.227 604 E HA 0.316 4.665 4.350 -0.001 0.000 0.268 604 E C -2.542 174.037 176.600 -0.035 0.000 0.907 604 E CA -2.674 53.706 56.400 -0.032 0.000 0.786 604 E CB 1.152 30.837 29.700 -0.025 0.000 1.191 604 E HN 0.025 nan 8.360 nan 0.000 0.411 605 P HA 0.132 nan 4.420 nan 0.000 0.270 605 P C -0.529 176.750 177.300 -0.034 0.000 1.223 605 P CA -0.041 63.035 63.100 -0.041 0.000 0.785 605 P CB 1.132 32.806 31.700 -0.044 0.000 0.923 606 K N 0.376 120.755 120.400 -0.035 0.000 2.482 606 K HA 0.400 4.719 4.320 -0.001 0.000 0.257 606 K C -0.655 175.926 176.600 -0.032 0.000 0.969 606 K CA -0.675 55.595 56.287 -0.029 0.000 0.842 606 K CB 2.651 35.137 32.500 -0.023 0.000 1.359 606 K HN 0.490 nan 8.250 nan 0.000 0.441 607 E N 2.614 122.797 120.200 -0.028 0.000 2.256 607 E HA 0.571 4.921 4.350 -0.001 0.000 0.267 607 E C -1.165 175.419 176.600 -0.026 0.000 0.892 607 E CA -0.734 55.649 56.400 -0.029 0.000 0.775 607 E CB 1.625 31.309 29.700 -0.027 0.000 1.207 607 E HN 0.585 nan 8.360 nan 0.000 0.420 608 I N -1.318 119.235 120.570 -0.027 0.000 3.195 608 I HA 0.444 4.613 4.170 -0.001 0.000 0.313 608 I C -0.380 175.724 176.117 -0.022 0.000 1.237 608 I CA -0.927 60.358 61.300 -0.025 0.000 0.963 608 I CB 1.987 39.971 38.000 -0.027 0.000 1.278 608 I HN 0.253 nan 8.210 nan 0.000 0.460 609 T N 2.412 116.954 114.554 -0.020 0.000 2.934 609 T HA 0.333 4.682 4.350 -0.001 0.000 0.306 609 T C 0.493 175.185 174.700 -0.013 0.000 1.042 609 T CA 0.702 62.793 62.100 -0.015 0.000 1.145 609 T CB 0.644 69.503 68.868 -0.014 0.000 0.982 609 T HN 0.867 nan 8.240 nan 0.000 0.544 610 G N 0.671 109.468 108.800 -0.005 0.000 2.773 610 G HA2 0.765 4.724 3.960 -0.001 0.000 0.186 610 G HA3 0.765 4.724 3.960 -0.001 0.000 0.186 610 G C 0.433 175.343 174.900 0.016 0.000 1.411 610 G CA -0.021 45.080 45.100 0.003 0.000 1.054 610 G HN 1.158 nan 8.290 nan 0.000 0.579 611 G N -1.243 107.576 108.800 0.031 0.000 2.217 611 G HA2 0.063 4.023 3.960 -0.001 0.000 0.126 611 G HA3 0.063 4.023 3.960 -0.001 0.000 0.126 611 G C -0.592 174.354 174.900 0.077 0.000 1.293 611 G CA -0.236 44.890 45.100 0.044 0.000 1.219 611 G HN 0.593 nan 8.290 nan 0.000 0.477 612 R N 0.311 120.879 120.500 0.113 0.000 2.254 612 R HA 0.604 4.943 4.340 -0.001 0.000 0.318 612 R C -0.827 175.675 176.300 0.336 0.000 1.031 612 R CA -0.256 55.965 56.100 0.202 0.000 0.905 612 R CB 1.144 31.526 30.300 0.137 0.000 1.050 612 R HN 0.407 nan 8.270 nan 0.000 0.456 613 V N 4.868 124.998 119.914 0.360 0.000 2.555 613 V HA 0.401 4.520 4.120 -0.001 0.000 0.302 613 V C -0.855 175.330 176.094 0.152 0.000 1.038 613 V CA -0.946 61.490 62.300 0.227 0.000 0.887 613 V CB 1.713 33.570 31.823 0.058 0.000 0.991 613 V HN 0.778 nan 8.190 nan 0.000 0.434 614 W N 5.616 126.721 121.300 -0.325 0.000 2.632 614 W HA 0.673 5.333 4.660 -0.000 0.000 0.328 614 W C 0.147 176.398 176.519 -0.448 0.000 1.044 614 W CA -0.424 56.521 57.345 -0.668 0.000 1.225 614 W CB 1.802 30.517 29.460 -1.241 0.000 1.396 614 W HN 0.684 nan 8.180 nan 0.000 0.499 615 N N 3.408 121.266 118.700 -1.404 0.000 2.228 615 N HA 0.241 4.980 4.740 -0.001 0.000 0.237 615 N C 0.289 174.962 175.510 -1.395 0.000 1.382 615 N CA 0.278 52.553 53.050 -1.291 0.000 0.787 615 N CB 0.630 38.555 38.487 -0.937 0.000 1.320 615 N HN 0.863 nan 8.380 nan 0.000 0.507 616 G N -0.141 107.314 108.800 -2.242 0.000 2.797 616 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.195 616 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.195 616 G C -0.640 173.922 174.900 -0.563 0.000 1.026 616 G CA -0.180 44.373 45.100 -0.911 0.000 0.759 616 G HN 0.425 nan 8.290 nan 0.000 0.475 617 K N -0.667 119.302 120.400 -0.718 0.000 2.508 617 K HA 0.631 4.950 4.320 -0.001 0.000 0.260 617 K C -1.433 175.025 176.600 -0.237 0.000 0.949 617 K CA -0.524 55.612 56.287 -0.251 0.000 0.834 617 K CB 1.405 33.845 32.500 -0.101 0.000 1.365 617 K HN 0.197 nan 8.250 nan 0.000 0.437 618 W N 1.495 122.864 121.300 0.114 0.000 2.315 618 W HA 0.460 5.120 4.660 -0.001 0.000 0.316 618 W C 0.442 176.993 176.519 0.053 0.000 1.211 618 W CA 0.090 57.526 57.345 0.151 0.000 1.201 618 W CB 1.422 31.011 29.460 0.214 0.000 1.184 618 W HN 0.666 nan 8.180 nan 0.000 0.544 619 S N 1.135 117.034 115.700 0.331 0.000 2.732 619 S HA 0.730 5.199 4.470 -0.001 0.000 0.293 619 S C -1.606 173.097 174.600 0.172 0.000 1.159 619 S CA -1.119 57.185 58.200 0.174 0.000 0.847 619 S CB 2.387 65.624 63.200 0.062 0.000 1.169 619 S HN 0.342 nan 8.310 nan 0.000 0.501 620 D N 0.686 121.144 120.400 0.096 0.000 2.763 620 D HA 0.531 5.170 4.640 -0.001 0.000 0.235 620 D C -1.292 175.034 176.300 0.042 0.000 1.334 620 D CA -0.299 53.746 54.000 0.075 0.000 0.950 620 D CB 1.403 42.238 40.800 0.059 0.000 1.433 620 D HN 0.645 nan 8.370 nan 0.000 0.580 621 E N 1.699 121.919 120.200 0.033 0.000 2.380 621 E HA 0.204 4.554 4.350 -0.001 0.000 0.281 621 E C 0.021 176.628 176.600 0.011 0.000 0.999 621 E CA -0.613 55.796 56.400 0.015 0.000 0.800 621 E CB 1.705 31.406 29.700 0.002 0.000 1.228 621 E HN 0.166 nan 8.360 nan 0.000 0.436 622 E N 1.920 122.124 120.200 0.006 0.000 2.150 622 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 622 E C -0.170 176.429 176.600 -0.003 0.000 0.985 622 E CA 1.607 58.009 56.400 0.004 0.000 0.814 622 E CB 0.179 29.880 29.700 0.002 0.000 0.752 622 E HN 0.472 nan 8.360 nan 0.000 0.466 623 K N -0.945 119.450 120.400 -0.009 0.000 2.324 623 K HA 0.570 4.889 4.320 -0.001 0.000 0.253 623 K C -1.233 175.353 176.600 -0.024 0.000 0.932 623 K CA -0.905 55.373 56.287 -0.016 0.000 0.799 623 K CB 2.572 35.062 32.500 -0.017 0.000 1.154 623 K HN -0.214 nan 8.250 nan 0.000 0.425 624 V N 3.068 122.964 119.914 -0.030 0.000 2.384 624 V HA 0.244 4.363 4.120 -0.001 0.000 0.287 624 V C -0.666 175.397 176.094 -0.051 0.000 1.020 624 V CA -0.886 61.387 62.300 -0.045 0.000 0.850 624 V CB 1.688 33.481 31.823 -0.050 0.000 0.987 624 V HN 0.624 nan 8.190 nan 0.000 0.436 625 V N 7.027 126.905 119.914 -0.061 0.000 2.333 625 V HA 0.395 4.515 4.120 -0.001 0.000 0.274 625 V C -0.043 176.004 176.094 -0.079 0.000 1.028 625 V CA -0.381 61.883 62.300 -0.061 0.000 0.851 625 V CB 1.349 33.139 31.823 -0.054 0.000 1.000 625 V HN 0.616 nan 8.190 nan 0.000 0.456 626 L N 6.324 127.503 121.223 -0.072 0.000 2.255 626 L HA 0.454 4.793 4.340 -0.001 0.000 0.289 626 L C 0.603 177.429 176.870 -0.074 0.000 1.046 626 L CA -0.360 54.429 54.840 -0.084 0.000 0.816 626 L CB 0.725 42.747 42.059 -0.062 0.000 1.197 626 L HN 0.572 nan 8.230 nan 0.000 0.427 627 K N 3.578 123.925 120.400 -0.090 0.000 2.132 627 K HA 0.291 4.610 4.320 -0.001 0.000 0.240 627 K C -2.307 174.246 176.600 -0.078 0.000 1.036 627 K CA -1.662 54.578 56.287 -0.079 0.000 0.888 627 K CB 0.112 32.560 32.500 -0.087 0.000 1.071 627 K HN 0.214 nan 8.250 nan 0.000 0.502 628 P HA -0.025 nan 4.420 nan 0.000 0.264 628 P C -0.424 176.817 177.300 -0.099 0.000 1.193 628 P CA 0.616 63.663 63.100 -0.090 0.000 0.763 628 P CB 0.238 31.874 31.700 -0.106 0.000 0.810 629 L N 0.326 121.503 121.223 -0.078 0.000 3.898 629 L HA -0.233 4.107 4.340 -0.001 0.000 0.407 629 L C 0.244 177.117 176.870 0.006 0.000 1.207 629 L CA 0.734 55.549 54.840 -0.041 0.000 0.931 629 L CB -1.606 40.392 42.059 -0.101 0.000 2.014 629 L HN 0.515 nan 8.230 nan 0.000 0.858 630 E N -0.087 120.099 120.200 -0.022 0.000 2.263 630 E HA 0.814 5.163 4.350 -0.001 0.000 0.264 630 E C -0.549 176.041 176.600 -0.016 0.000 0.923 630 E CA -0.632 55.689 56.400 -0.132 0.000 0.802 630 E CB 1.909 31.481 29.700 -0.214 0.000 1.228 630 E HN 0.189 nan 8.360 nan 0.000 0.417 631 F N -0.855 119.014 119.950 -0.135 0.000 2.692 631 F HA 0.915 5.441 4.527 -0.002 0.000 0.320 631 F C -1.164 174.497 175.800 -0.231 0.000 1.123 631 F CA -1.077 56.869 58.000 -0.090 0.000 0.961 631 F CB 1.297 40.308 39.000 0.019 0.000 1.383 631 F HN 0.511 nan 8.300 nan 0.000 0.483 632 A N 1.144 124.003 122.820 0.065 0.000 2.599 632 A HA 0.647 4.967 4.320 -0.001 0.000 0.294 632 A C -2.634 175.022 177.584 0.120 0.000 1.055 632 A CA -0.639 51.332 52.037 -0.110 0.000 0.683 632 A CB 1.575 20.486 19.000 -0.149 0.000 1.278 632 A HN 1.340 nan 8.150 nan 0.000 0.412 633 L N 1.967 123.233 121.223 0.071 0.000 2.295 633 L HA 0.700 5.039 4.340 -0.001 0.000 0.281 633 L C -1.177 175.685 176.870 -0.014 0.000 1.018 633 L CA -0.324 54.563 54.840 0.078 0.000 0.841 633 L CB 1.352 43.468 42.059 0.093 0.000 1.218 633 L HN 0.484 nan 8.230 nan 0.000 0.424 634 V N 5.883 125.766 119.914 -0.051 0.000 2.407 634 V HA 0.441 4.560 4.120 -0.001 0.000 0.278 634 V C -0.208 175.853 176.094 -0.056 0.000 1.037 634 V CA -0.583 61.706 62.300 -0.020 0.000 0.900 634 V CB 1.656 33.463 31.823 -0.027 0.000 0.983 634 V HN 0.488 nan 8.190 nan 0.000 0.459 635 V N 5.843 125.770 119.914 0.022 0.000 2.313 635 V HA 0.397 4.517 4.120 -0.001 0.000 0.278 635 V C -0.003 176.106 176.094 0.025 0.000 1.017 635 V CA -0.482 61.809 62.300 -0.014 0.000 0.823 635 V CB 1.222 33.081 31.823 0.059 0.000 1.010 635 V HN 0.957 nan 8.190 nan 0.000 0.443 636 Q N 0.000 119.804 119.800 0.007 0.000 2.315 636 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 636 Q CA 0.000 55.821 55.803 0.029 0.000 1.022 636 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 636 Q HN 0.000 nan 8.270 nan 0.000 0.481