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 1l7q_1_A DATA FIRST_RESID 4 DATA SEQUENCE GNYSVASNVM VPMRDGVRLA VDLYRPDADG PVPVLLVRNP YDKFDVFAWS DATA SEQUENCE TQSTNWLEFV RDGYAVVIQD TRGLFASEGE FVPHVDDEAD AEDTLSWILE DATA SEQUENCE QAWCDGNVGM FGVAYLGVTQ WQAAVSGVGG LKAIAPSMAS ADLYRAPWYG DATA SEQUENCE PGGALSVEAL LGWSALIGTG LITSRSDARP EDAADFVQLA AILNDVAGAA DATA SEQUENCE SVTPLAEQPL LGRLIPWVID QVVDHPDNDE SWQSISLFER LGGLATPALI DATA SEQUENCE TAGWYDGFVG ESLRTFVAVK DNADARLVVG PWSHSNLTGR NADRKFGIAA DATA SEQUENCE TYPIQEATTM HKAFFDRHLR GETDALAGVP KVRLFVMGID EWRDETDWPL DATA SEQUENCE PDTAYTPFYL GGSGAANTST GGGTLSTSIS GTESADTYLY DPADPVPSLG DATA SEQUENCE GTLLFHNGDN GPADQRPIHD RDDVLCYSTE VLTDPVEVTG TVSARLFVSS DATA SEQUENCE SAVDTDFTAK LVDVFPDGRA IALCDGIVRM RYRETLVNPT LIEAGEIYEV DATA SEQUENCE AIDMLATSNV FLPGHRIMVQ VSSSNFPKYD RNSNTGGVIA REQLEEMCTA DATA SEQUENCE VNRIHRGPEH PSHIVLPIIK R 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 4 G C 0.000 174.999 174.900 0.165 0.000 0.946 4 G CA 0.000 45.169 45.100 0.114 0.000 0.502 5 N N -0.800 117.987 118.700 0.144 0.000 2.477 5 N HA 0.827 5.567 4.740 0.000 0.000 0.284 5 N C -0.841 174.814 175.510 0.241 0.000 1.182 5 N CA -0.204 52.921 53.050 0.126 0.000 0.949 5 N CB 1.604 40.105 38.487 0.024 0.000 1.204 5 N HN 0.757 nan 8.380 nan 0.000 0.526 6 Y N -2.868 117.458 120.300 0.042 0.000 2.725 6 Y HA 0.675 5.226 4.550 0.000 0.000 0.333 6 Y C -0.827 175.089 175.900 0.026 0.000 1.242 6 Y CA -1.288 56.842 58.100 0.049 0.000 1.059 6 Y CB 0.552 39.072 38.460 0.099 0.000 1.306 6 Y HN 0.479 nan 8.280 nan 0.000 0.454 7 S N 0.188 115.986 115.700 0.164 0.000 2.634 7 S HA 0.901 5.372 4.470 0.000 0.000 0.296 7 S C -1.778 172.864 174.600 0.070 0.000 1.104 7 S CA -0.749 57.465 58.200 0.023 0.000 0.920 7 S CB 1.840 65.030 63.200 -0.016 0.000 1.111 7 S HN 0.906 nan 8.310 nan 0.000 0.493 8 V N 0.957 120.842 119.914 -0.048 0.000 2.525 8 V HA 0.798 4.918 4.120 0.000 0.000 0.299 8 V C -0.128 175.878 176.094 -0.147 0.000 1.034 8 V CA -0.567 61.625 62.300 -0.181 0.000 0.863 8 V CB 1.224 32.888 31.823 -0.265 0.000 0.999 8 V HN 1.255 nan 8.190 nan 0.000 0.423 9 A N 3.449 126.178 122.820 -0.152 0.000 2.303 9 A HA 0.827 5.147 4.320 0.000 0.000 0.320 9 A C 0.055 177.615 177.584 -0.039 0.000 1.192 9 A CA -0.372 51.624 52.037 -0.068 0.000 0.821 9 A CB 1.028 20.002 19.000 -0.043 0.000 1.188 9 A HN 0.711 nan 8.150 nan 0.000 0.492 10 S N 2.117 117.832 115.700 0.025 0.000 2.578 10 S HA 0.420 4.890 4.470 0.000 0.000 0.283 10 S C 0.199 174.850 174.600 0.086 0.000 1.195 10 S CA -0.646 57.621 58.200 0.113 0.000 1.050 10 S CB 0.576 63.925 63.200 0.247 0.000 1.012 10 S HN 0.752 nan 8.310 nan 0.000 0.511 11 N N 0.347 119.071 118.700 0.040 0.000 2.725 11 N HA -0.132 4.609 4.740 0.000 0.000 0.251 11 N C -0.819 174.683 175.510 -0.012 0.000 1.031 11 N CA 0.286 53.329 53.050 -0.012 0.000 0.720 11 N CB -1.410 37.100 38.487 0.039 0.000 0.930 11 N HN 0.362 nan 8.380 nan 0.000 0.543 12 V N 1.565 121.469 119.914 -0.016 0.000 2.470 12 V HA 0.135 4.255 4.120 0.000 0.000 0.276 12 V C 0.958 176.982 176.094 -0.117 0.000 1.040 12 V CA -0.074 62.224 62.300 -0.004 0.000 1.008 12 V CB 0.991 32.868 31.823 0.089 0.000 0.990 12 V HN 0.150 nan 8.190 nan 0.000 0.477 13 M N 5.861 125.396 119.600 -0.108 0.000 2.120 13 M HA 0.338 4.818 4.480 0.000 0.000 0.354 13 M C -0.501 175.616 176.300 -0.304 0.000 1.287 13 M CA -0.258 54.940 55.300 -0.171 0.000 1.103 13 M CB 0.810 33.355 32.600 -0.092 0.000 1.623 13 M HN 0.301 nan 8.290 nan 0.000 0.471 14 V N 7.170 126.815 119.914 -0.449 0.000 2.347 14 V HA 0.376 4.496 4.120 0.000 0.000 0.280 14 V C -1.949 173.940 176.094 -0.341 0.000 1.021 14 V CA -1.478 60.416 62.300 -0.677 0.000 0.847 14 V CB 1.487 32.734 31.823 -0.960 0.000 0.990 14 V HN 0.625 nan 8.190 nan 0.000 0.444 15 P HA 0.271 nan 4.420 nan 0.000 0.281 15 P C -0.602 176.661 177.300 -0.062 0.000 1.252 15 P CA -0.332 62.709 63.100 -0.097 0.000 0.778 15 P CB 1.096 32.776 31.700 -0.033 0.000 0.895 16 M N 3.241 122.813 119.600 -0.046 0.000 2.245 16 M HA 0.237 4.717 4.480 0.000 0.000 0.292 16 M C 2.176 178.475 176.300 -0.001 0.000 1.176 16 M CA -0.559 54.729 55.300 -0.020 0.000 1.035 16 M CB 0.307 32.895 32.600 -0.021 0.000 1.440 16 M HN 0.411 nan 8.290 nan 0.000 0.494 17 R N 0.722 121.227 120.500 0.008 0.000 2.159 17 R HA -0.155 4.185 4.340 0.000 0.000 0.237 17 R C 0.515 176.819 176.300 0.007 0.000 1.131 17 R CA 1.934 58.041 56.100 0.012 0.000 0.982 17 R CB -0.566 29.743 30.300 0.015 0.000 0.868 17 R HN 0.681 nan 8.270 nan 0.000 0.453 18 D N -0.775 119.626 120.400 0.002 0.000 2.328 18 D HA 0.095 4.735 4.640 0.000 0.000 0.221 18 D C 1.156 177.455 176.300 -0.002 0.000 1.072 18 D CA 0.609 54.609 54.000 0.000 0.000 0.850 18 D CB 0.515 41.314 40.800 -0.001 0.000 0.922 18 D HN 0.455 nan 8.370 nan 0.000 0.516 19 G N -0.181 108.617 108.800 -0.004 0.000 2.241 19 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 19 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 19 G C 0.260 175.151 174.900 -0.016 0.000 0.998 19 G CA 0.113 45.209 45.100 -0.007 0.000 0.621 19 G HN 0.369 nan 8.290 nan 0.000 0.519 20 V N 2.336 122.239 119.914 -0.018 0.000 2.655 20 V HA 0.368 4.488 4.120 0.000 0.000 0.300 20 V C 1.029 177.097 176.094 -0.042 0.000 1.044 20 V CA 0.215 62.500 62.300 -0.025 0.000 1.095 20 V CB 1.007 32.818 31.823 -0.020 0.000 0.952 20 V HN 0.407 nan 8.190 nan 0.000 0.485 21 R N 5.077 125.545 120.500 -0.052 0.000 2.346 21 R HA 0.613 4.953 4.340 0.000 0.000 0.311 21 R C -1.011 175.234 176.300 -0.092 0.000 0.983 21 R CA -0.630 55.420 56.100 -0.083 0.000 0.880 21 R CB 1.283 31.535 30.300 -0.080 0.000 1.100 21 R HN 0.568 nan 8.270 nan 0.000 0.453 22 L N 2.119 123.266 121.223 -0.127 0.000 2.322 22 L HA 0.547 4.887 4.340 0.000 0.000 0.279 22 L C 0.306 177.078 176.870 -0.163 0.000 1.036 22 L CA -0.945 53.821 54.840 -0.123 0.000 0.807 22 L CB 1.740 43.730 42.059 -0.114 0.000 1.226 22 L HN 0.658 nan 8.230 nan 0.000 0.433 23 A N 3.055 125.791 122.820 -0.140 0.000 2.331 23 A HA 0.676 4.997 4.320 0.000 0.000 0.283 23 A C -0.343 177.139 177.584 -0.169 0.000 1.142 23 A CA -0.431 51.513 52.037 -0.155 0.000 0.812 23 A CB 1.037 19.950 19.000 -0.145 0.000 1.074 23 A HN 0.573 nan 8.150 nan 0.000 0.497 24 V N -0.562 119.259 119.914 -0.155 0.000 3.040 24 V HA 0.767 4.888 4.120 0.000 0.000 0.312 24 V C -1.368 174.696 176.094 -0.050 0.000 1.115 24 V CA -1.064 61.176 62.300 -0.101 0.000 0.998 24 V CB 2.221 34.004 31.823 -0.066 0.000 1.042 24 V HN 0.679 nan 8.190 nan 0.000 0.433 25 D N 2.546 122.951 120.400 0.009 0.000 2.256 25 D HA 0.669 5.309 4.640 0.000 0.000 0.246 25 D C -0.691 175.657 176.300 0.080 0.000 1.042 25 D CA 0.007 54.026 54.000 0.033 0.000 0.841 25 D CB 2.082 42.945 40.800 0.104 0.000 1.223 25 D HN 0.674 nan 8.370 nan 0.000 0.470 26 L N 2.618 123.819 121.223 -0.038 0.000 2.298 26 L HA 0.357 4.698 4.340 0.000 0.000 0.284 26 L C -0.863 175.921 176.870 -0.142 0.000 1.013 26 L CA -0.908 53.903 54.840 -0.048 0.000 0.824 26 L CB 0.685 42.647 42.059 -0.162 0.000 1.221 26 L HN 0.250 nan 8.230 nan 0.000 0.418 27 Y N 3.027 123.348 120.300 0.035 0.000 2.504 27 Y HA 0.434 4.984 4.550 0.000 0.000 0.339 27 Y C 0.144 176.056 175.900 0.020 0.000 0.974 27 Y CA -0.571 57.598 58.100 0.115 0.000 1.232 27 Y CB 0.711 39.297 38.460 0.210 0.000 1.108 27 Y HN 0.423 nan 8.280 nan 0.000 0.509 28 R N 4.820 125.370 120.500 0.082 0.000 2.387 28 R HA 0.403 4.744 4.340 0.000 0.000 0.314 28 R C -2.753 173.624 176.300 0.129 0.000 0.958 28 R CA -2.133 53.966 56.100 -0.001 0.000 0.846 28 R CB 1.410 31.563 30.300 -0.245 0.000 1.147 28 R HN 0.323 nan 8.270 nan 0.000 0.447 29 P HA -0.010 nan 4.420 nan 0.000 0.269 29 P C -0.862 176.512 177.300 0.125 0.000 1.209 29 P CA -0.178 63.026 63.100 0.172 0.000 0.776 29 P CB 0.711 32.492 31.700 0.136 0.000 0.876 30 D N 1.448 121.925 120.400 0.128 0.000 2.551 30 D HA 0.415 5.055 4.640 0.000 0.000 0.223 30 D C 0.236 176.575 176.300 0.065 0.000 1.144 30 D CA 0.575 54.622 54.000 0.078 0.000 1.025 30 D CB -0.514 40.323 40.800 0.061 0.000 1.085 30 D HN 0.353 nan 8.370 nan 0.000 0.506 31 A N 1.700 124.557 122.820 0.061 0.000 2.527 31 A HA 0.608 4.928 4.320 0.000 0.000 0.293 31 A C -1.116 176.496 177.584 0.048 0.000 1.117 31 A CA -1.090 50.977 52.037 0.051 0.000 0.723 31 A CB 1.215 20.245 19.000 0.050 0.000 1.313 31 A HN 0.310 nan 8.150 nan 0.000 0.411 32 D N -0.080 120.343 120.400 0.038 0.000 2.210 32 D HA 0.556 5.196 4.640 0.000 0.000 0.249 32 D C 0.438 176.759 176.300 0.035 0.000 1.078 32 D CA 0.544 54.566 54.000 0.036 0.000 0.875 32 D CB 1.205 42.020 40.800 0.026 0.000 1.175 32 D HN 1.744 nan 8.370 nan 0.000 0.440 33 G N 1.539 110.364 108.800 0.041 0.000 2.730 33 G HA2 -0.016 3.944 3.960 0.000 0.000 0.686 33 G HA3 -0.016 3.944 3.960 0.000 0.000 0.686 33 G C -2.647 172.286 174.900 0.054 0.000 1.343 33 G CA -0.784 44.337 45.100 0.035 0.000 0.826 33 G HN 0.680 nan 8.290 nan 0.000 0.582 34 P HA 0.513 nan 4.420 nan 0.000 0.272 34 P C 0.261 177.589 177.300 0.048 0.000 1.230 34 P CA 0.422 63.556 63.100 0.055 0.000 0.788 34 P CB 1.333 33.031 31.700 -0.003 0.000 0.949 35 V N -3.120 116.844 119.914 0.083 0.000 3.130 35 V HA 0.664 4.784 4.120 0.000 0.000 0.310 35 V C -2.798 173.318 176.094 0.037 0.000 1.158 35 V CA -3.020 59.302 62.300 0.037 0.000 1.029 35 V CB 1.672 33.531 31.823 0.060 0.000 1.057 35 V HN 0.390 nan 8.190 nan 0.000 0.436 36 P HA 0.347 nan 4.420 nan 0.000 0.272 36 P C -0.876 176.510 177.300 0.144 0.000 1.223 36 P CA -0.025 63.072 63.100 -0.005 0.000 0.784 36 P CB 1.452 33.066 31.700 -0.143 0.000 0.923 37 V N 2.960 122.976 119.914 0.170 0.000 2.735 37 V HA 0.430 4.550 4.120 0.000 0.000 0.310 37 V C 0.238 176.404 176.094 0.119 0.000 1.061 37 V CA -0.778 61.658 62.300 0.226 0.000 0.913 37 V CB 1.929 33.921 31.823 0.281 0.000 1.005 37 V HN 0.365 nan 8.190 nan 0.000 0.428 38 L N 4.493 125.782 121.223 0.111 0.000 2.341 38 L HA 0.657 4.998 4.340 0.000 0.000 0.278 38 L C -0.948 175.965 176.870 0.071 0.000 1.005 38 L CA -0.621 54.223 54.840 0.008 0.000 0.818 38 L CB 1.863 43.901 42.059 -0.036 0.000 1.259 38 L HN 0.479 nan 8.230 nan 0.000 0.418 39 L N 3.997 125.218 121.223 -0.002 0.000 2.346 39 L HA 0.767 5.107 4.340 0.000 0.000 0.274 39 L C -1.017 175.705 176.870 -0.248 0.000 1.007 39 L CA -0.353 54.449 54.840 -0.064 0.000 0.818 39 L CB 2.087 44.143 42.059 -0.005 0.000 1.284 39 L HN 0.286 nan 8.230 nan 0.000 0.424 40 V N 4.964 124.676 119.914 -0.336 0.000 2.525 40 V HA 0.572 4.692 4.120 0.000 0.000 0.299 40 V C -0.420 175.465 176.094 -0.348 0.000 1.034 40 V CA -0.653 61.337 62.300 -0.516 0.000 0.863 40 V CB 1.704 33.031 31.823 -0.827 0.000 0.999 40 V HN 0.692 nan 8.190 nan 0.000 0.423 41 R N 3.359 123.686 120.500 -0.289 0.000 2.246 41 R HA 0.474 4.814 4.340 0.000 0.000 0.332 41 R C -0.737 175.435 176.300 -0.212 0.000 0.974 41 R CA -0.530 55.462 56.100 -0.181 0.000 0.837 41 R CB 1.250 31.503 30.300 -0.078 0.000 1.145 41 R HN 0.630 nan 8.270 nan 0.000 0.467 42 N N 3.594 122.142 118.700 -0.254 0.000 2.354 42 N HA 0.286 5.026 4.740 0.000 0.000 0.287 42 N C -2.198 173.094 175.510 -0.364 0.000 1.016 42 N CA -2.375 50.476 53.050 -0.332 0.000 0.871 42 N CB 1.855 40.114 38.487 -0.380 0.000 1.299 42 N HN 0.224 nan 8.380 nan 0.000 0.482 43 P HA 0.147 nan 4.420 nan 0.000 0.262 43 P C -0.574 176.332 177.300 -0.657 0.000 1.304 43 P CA 0.353 62.989 63.100 -0.772 0.000 0.859 43 P CB 0.052 31.029 31.700 -1.204 0.000 1.310 44 Y N 0.163 120.392 120.300 -0.120 0.000 2.751 44 Y HA 0.402 4.952 4.550 0.000 0.000 0.289 44 Y C 0.086 175.788 175.900 -0.329 0.000 1.110 44 Y CA -1.399 56.661 58.100 -0.067 0.000 1.251 44 Y CB -0.548 37.907 38.460 -0.008 0.000 1.178 44 Y HN -0.086 nan 8.280 nan 0.000 0.540 45 D N 1.473 121.521 120.400 -0.586 0.000 4.874 45 D HA -0.184 4.456 4.640 0.000 0.000 0.228 45 D C 0.842 176.916 176.300 -0.377 0.000 1.423 45 D CA 0.655 54.044 54.000 -1.018 0.000 1.130 45 D CB 0.377 40.290 40.800 -1.478 0.000 0.564 45 D HN 0.629 nan 8.370 nan 0.000 0.272 46 K N 2.310 122.513 120.400 -0.329 0.000 2.211 46 K HA -0.176 4.144 4.320 0.000 0.000 0.204 46 K C 1.861 178.467 176.600 0.010 0.000 1.047 46 K CA 1.201 57.397 56.287 -0.152 0.000 0.935 46 K CB -0.278 32.090 32.500 -0.221 0.000 0.728 46 K HN 0.284 nan 8.250 nan 0.000 0.452 47 F N 2.214 122.118 119.950 -0.077 0.000 2.234 47 F HA -0.052 4.475 4.527 0.000 0.000 0.299 47 F C 1.075 176.825 175.800 -0.083 0.000 1.087 47 F CA 0.548 58.515 58.000 -0.054 0.000 1.340 47 F CB -0.586 38.359 39.000 -0.092 0.000 1.031 47 F HN 0.076 nan 8.300 nan 0.000 0.500 48 D N 0.789 121.245 120.400 0.093 0.000 2.608 48 D HA 0.069 4.709 4.640 0.000 0.000 0.224 48 D C 1.482 177.834 176.300 0.086 0.000 1.123 48 D CA 0.105 54.121 54.000 0.028 0.000 1.030 48 D CB 0.257 41.073 40.800 0.026 0.000 1.093 48 D HN 0.112 nan 8.370 nan 0.000 0.497 49 V N 0.265 120.148 119.914 -0.051 0.000 2.548 49 V HA -0.104 4.016 4.120 0.000 0.000 0.249 49 V C 1.850 177.803 176.094 -0.236 0.000 1.055 49 V CA 0.848 63.107 62.300 -0.068 0.000 1.065 49 V CB -0.969 30.882 31.823 0.047 0.000 0.681 49 V HN 0.151 nan 8.190 nan 0.000 0.462 50 F N 2.001 121.883 119.950 -0.114 0.000 2.293 50 F HA 0.277 4.804 4.527 0.000 0.000 0.300 50 F C 2.652 178.371 175.800 -0.135 0.000 1.086 50 F CA 0.426 58.331 58.000 -0.158 0.000 1.375 50 F CB -1.445 37.501 39.000 -0.091 0.000 1.045 50 F HN 0.260 nan 8.300 nan 0.000 0.516 51 A N 0.397 123.288 122.820 0.119 0.000 1.972 51 A HA -0.161 4.159 4.320 0.000 0.000 0.219 51 A C 1.966 179.642 177.584 0.153 0.000 1.169 51 A CA 1.686 53.802 52.037 0.132 0.000 0.635 51 A CB -1.000 18.102 19.000 0.169 0.000 0.810 51 A HN 0.677 nan 8.150 nan 0.000 0.446 52 W N -2.675 118.672 121.300 0.078 0.000 2.904 52 W HA 0.265 4.925 4.660 0.000 0.000 0.265 52 W C 1.221 177.775 176.519 0.059 0.000 1.138 52 W CA 0.673 58.042 57.345 0.041 0.000 1.455 52 W CB -0.693 28.802 29.460 0.060 0.000 0.924 52 W HN 0.180 nan 8.180 nan 0.000 0.619 53 S N 2.037 117.272 115.700 -0.774 0.000 2.400 53 S HA -0.236 4.234 4.470 0.000 0.000 0.232 53 S C 1.938 176.408 174.600 -0.217 0.000 1.025 53 S CA 2.910 60.724 58.200 -0.644 0.000 0.993 53 S CB -0.802 62.060 63.200 -0.563 0.000 0.808 53 S HN 0.456 nan 8.310 nan 0.000 0.478 54 T N -0.110 114.340 114.554 -0.173 0.000 3.007 54 T HA -0.046 4.304 4.350 0.000 0.000 0.270 54 T C 1.200 175.782 174.700 -0.196 0.000 1.107 54 T CA 0.826 62.840 62.100 -0.143 0.000 1.118 54 T CB -0.296 68.494 68.868 -0.130 0.000 0.889 54 T HN 0.332 nan 8.240 nan 0.000 0.506 55 Q N 0.189 119.853 119.800 -0.228 0.000 2.220 55 Q HA 0.450 4.790 4.340 0.000 0.000 0.205 55 Q C 1.678 177.394 176.000 -0.474 0.000 0.865 55 Q CA -0.018 55.488 55.803 -0.495 0.000 0.960 55 Q CB 0.765 29.292 28.738 -0.352 0.000 1.097 55 Q HN 0.516 nan 8.270 nan 0.000 0.493 56 S N -0.790 114.843 115.700 -0.111 0.000 3.799 56 S HA 0.372 4.843 4.470 0.000 0.000 0.170 56 S C -0.050 174.659 174.600 0.180 0.000 0.840 56 S CA 0.641 58.921 58.200 0.133 0.000 1.025 56 S CB 0.342 63.811 63.200 0.448 0.000 1.455 56 S HN 0.313 nan 8.310 nan 0.000 0.804 57 T N 0.618 115.253 114.554 0.135 0.000 2.802 57 T HA 0.509 4.859 4.350 0.000 0.000 0.311 57 T C -1.740 172.887 174.700 -0.121 0.000 1.405 57 T CA -0.864 61.217 62.100 -0.033 0.000 1.016 57 T CB 1.044 69.815 68.868 -0.162 0.000 1.352 57 T HN 0.209 nan 8.240 nan 0.000 0.498 58 N N 2.350 120.869 118.700 -0.301 0.000 3.245 58 N HA 0.113 4.853 4.740 0.000 0.000 0.296 58 N C 1.227 176.336 175.510 -0.668 0.000 1.254 58 N CA -0.514 52.274 53.050 -0.437 0.000 1.190 58 N CB -0.033 38.248 38.487 -0.344 0.000 1.460 58 N HN 0.794 nan 8.380 nan 0.000 0.538 59 W N 0.294 121.198 121.300 -0.659 0.000 2.538 59 W HA -0.048 4.612 4.660 0.000 0.000 0.254 59 W C 0.532 176.683 176.519 -0.614 0.000 1.249 59 W CA -0.115 56.647 57.345 -0.972 0.000 1.253 59 W CB -0.733 28.540 29.460 -0.312 0.000 1.130 59 W HN 0.230 nan 8.180 nan 0.000 0.618 60 L N 1.041 121.779 121.223 -0.808 0.000 2.265 60 L HA -0.178 4.163 4.340 0.000 0.000 0.215 60 L C 2.790 179.458 176.870 -0.337 0.000 1.117 60 L CA 1.741 56.222 54.840 -0.598 0.000 0.782 60 L CB -0.694 41.002 42.059 -0.604 0.000 0.914 60 L HN 0.070 nan 8.230 nan 0.000 0.441 61 E N 0.301 120.275 120.200 -0.377 0.000 2.150 61 E HA -0.217 4.134 4.350 0.000 0.000 0.193 61 E C 2.082 178.682 176.600 0.001 0.000 0.985 61 E CA 1.107 57.385 56.400 -0.203 0.000 0.814 61 E CB 0.066 29.612 29.700 -0.256 0.000 0.752 61 E HN 0.357 nan 8.360 nan 0.000 0.466 62 F N 0.388 120.339 119.950 0.001 0.000 2.146 62 F HA -0.147 4.381 4.527 0.001 0.000 0.298 62 F C 2.365 178.264 175.800 0.166 0.000 1.096 62 F CA 0.623 58.657 58.000 0.058 0.000 1.275 62 F CB -1.081 37.861 39.000 -0.096 0.000 1.008 62 F HN -0.050 nan 8.300 nan 0.000 0.480 63 V N 0.227 120.276 119.914 0.226 0.000 2.358 63 V HA -0.225 3.895 4.120 0.000 0.000 0.246 63 V C 2.371 178.496 176.094 0.052 0.000 1.047 63 V CA 1.616 63.961 62.300 0.075 0.000 1.035 63 V CB -0.687 30.978 31.823 -0.263 0.000 0.658 63 V HN 0.240 nan 8.190 nan 0.000 0.452 64 R N 0.170 120.685 120.500 0.025 0.000 2.189 64 R HA -0.093 4.247 4.340 0.000 0.000 0.223 64 R C 1.234 177.615 176.300 0.134 0.000 1.092 64 R CA 1.148 57.312 56.100 0.107 0.000 0.989 64 R CB -0.192 30.160 30.300 0.086 0.000 0.876 64 R HN 0.524 nan 8.270 nan 0.000 0.457 65 D N -1.055 119.454 120.400 0.181 0.000 2.340 65 D HA 0.114 4.754 4.640 0.000 0.000 0.217 65 D C 1.002 177.403 176.300 0.168 0.000 1.081 65 D CA 0.584 54.702 54.000 0.197 0.000 0.842 65 D CB 1.080 42.046 40.800 0.276 0.000 0.934 65 D HN 0.407 nan 8.370 nan 0.000 0.511 66 G N 0.090 108.982 108.800 0.153 0.000 2.184 66 G HA2 -0.241 3.719 3.960 0.000 0.000 0.206 66 G HA3 -0.241 3.719 3.960 0.000 0.000 0.206 66 G C -0.105 174.800 174.900 0.009 0.000 0.995 66 G CA -0.565 44.566 45.100 0.052 0.000 0.651 66 G HN 0.257 nan 8.290 nan 0.000 0.511 67 Y N 1.197 121.560 120.300 0.105 0.000 2.320 67 Y HA 0.668 5.218 4.550 0.001 0.000 0.324 67 Y C 0.787 176.760 175.900 0.123 0.000 1.190 67 Y CA 0.076 58.234 58.100 0.096 0.000 1.215 67 Y CB 1.625 40.127 38.460 0.070 0.000 1.221 67 Y HN 0.408 nan 8.280 nan 0.000 0.486 68 A N 2.127 125.129 122.820 0.303 0.000 2.303 68 A HA 0.745 5.065 4.320 0.000 0.000 0.317 68 A C -1.176 176.573 177.584 0.275 0.000 1.149 68 A CA -0.587 51.594 52.037 0.240 0.000 0.822 68 A CB 0.620 19.760 19.000 0.233 0.000 1.131 68 A HN 0.521 nan 8.150 nan 0.000 0.493 69 V N 2.459 122.534 119.914 0.267 0.000 2.588 69 V HA 0.462 4.583 4.120 0.000 0.000 0.304 69 V C -0.614 175.626 176.094 0.243 0.000 1.042 69 V CA -0.464 61.976 62.300 0.233 0.000 0.877 69 V CB 1.776 33.704 31.823 0.176 0.000 0.996 69 V HN 0.657 nan 8.190 nan 0.000 0.425 70 V N 6.246 126.261 119.914 0.169 0.000 2.409 70 V HA 0.541 4.661 4.120 0.000 0.000 0.291 70 V C -0.314 175.800 176.094 0.034 0.000 1.020 70 V CA -0.382 62.028 62.300 0.182 0.000 0.848 70 V CB 1.692 33.676 31.823 0.269 0.000 0.990 70 V HN 0.673 nan 8.190 nan 0.000 0.430 71 I N 4.689 125.291 120.570 0.054 0.000 2.389 71 I HA 0.507 4.677 4.170 0.000 0.000 0.288 71 I C -0.217 175.864 176.117 -0.060 0.000 0.999 71 I CA -0.345 60.917 61.300 -0.063 0.000 1.129 71 I CB 1.748 39.739 38.000 -0.014 0.000 1.288 71 I HN 0.633 nan 8.210 nan 0.000 0.444 72 Q N 5.035 124.764 119.800 -0.118 0.000 2.342 72 Q HA 0.296 4.636 4.340 0.000 0.000 0.267 72 Q C -1.332 174.579 176.000 -0.149 0.000 1.038 72 Q CA -0.843 54.887 55.803 -0.122 0.000 0.832 72 Q CB 2.200 30.881 28.738 -0.095 0.000 1.323 72 Q HN 0.473 nan 8.270 nan 0.000 0.448 73 D N 2.879 123.190 120.400 -0.148 0.000 2.312 73 D HA 0.108 4.749 4.640 0.000 0.000 0.252 73 D C -0.097 176.149 176.300 -0.090 0.000 1.150 73 D CA 0.185 54.108 54.000 -0.128 0.000 0.870 73 D CB 1.333 42.075 40.800 -0.098 0.000 1.153 73 D HN 0.629 nan 8.370 nan 0.000 0.457 74 T N 0.133 114.635 114.554 -0.087 0.000 2.795 74 T HA 0.056 4.406 4.350 0.000 0.000 0.314 74 T C 0.760 175.467 174.700 0.012 0.000 1.069 74 T CA -0.794 61.295 62.100 -0.017 0.000 1.071 74 T CB 0.883 69.773 68.868 0.037 0.000 0.988 74 T HN 0.352 nan 8.240 nan 0.000 0.543 75 R N 0.371 120.906 120.500 0.058 0.000 2.523 75 R HA 0.245 4.586 4.340 0.000 0.000 0.281 75 R C 1.559 177.922 176.300 0.105 0.000 0.969 75 R CA 1.319 57.454 56.100 0.057 0.000 1.093 75 R CB -0.817 29.514 30.300 0.052 0.000 0.917 75 R HN 1.237 nan 8.270 nan 0.000 0.408 76 G N 3.279 112.103 108.800 0.040 0.000 2.184 76 G HA2 -0.273 3.687 3.960 0.000 0.000 0.264 76 G HA3 -0.273 3.687 3.960 0.000 0.000 0.264 76 G C -0.146 174.718 174.900 -0.061 0.000 0.975 76 G CA 0.383 45.503 45.100 0.033 0.000 0.642 76 G HN 0.484 nan 8.290 nan 0.000 0.536 77 L N -1.031 120.124 121.223 -0.114 0.000 2.362 77 L HA 0.729 5.069 4.340 0.000 0.000 0.271 77 L C 1.433 178.250 176.870 -0.089 0.000 1.002 77 L CA -1.260 53.432 54.840 -0.246 0.000 0.818 77 L CB 1.112 42.977 42.059 -0.324 0.000 1.298 77 L HN 0.081 nan 8.230 nan 0.000 0.420 78 F N 0.940 120.802 119.950 -0.147 0.000 2.640 78 F HA -0.454 4.073 4.527 0.000 0.000 0.227 78 F C 1.897 177.638 175.800 -0.099 0.000 1.481 78 F CA 1.769 59.703 58.000 -0.110 0.000 1.964 78 F CB -1.372 37.550 39.000 -0.130 0.000 0.564 78 F HN 0.558 nan 8.300 nan 0.000 0.224 79 A N -0.126 122.759 122.820 0.107 0.000 2.209 79 A HA 0.270 4.590 4.320 0.000 0.000 0.212 79 A C 0.952 178.515 177.584 -0.034 0.000 1.158 79 A CA 1.252 53.288 52.037 -0.002 0.000 0.742 79 A CB -0.546 18.398 19.000 -0.094 0.000 0.790 79 A HN 0.378 nan 8.150 nan 0.000 0.472 80 S N 0.635 116.314 115.700 -0.036 0.000 2.586 80 S HA 0.334 4.805 4.470 0.000 0.000 0.274 80 S C 0.159 174.735 174.600 -0.040 0.000 1.281 80 S CA -0.549 57.621 58.200 -0.050 0.000 1.035 80 S CB 0.831 64.000 63.200 -0.052 0.000 0.962 80 S HN 0.589 nan 8.310 nan 0.000 0.512 81 E N 0.620 120.797 120.200 -0.039 0.000 2.622 81 E HA 0.596 4.947 4.350 0.000 0.000 0.255 81 E C 0.712 177.299 176.600 -0.021 0.000 1.313 81 E CA -0.441 55.941 56.400 -0.030 0.000 1.011 81 E CB 0.327 30.010 29.700 -0.029 0.000 1.173 81 E HN 0.834 nan 8.360 nan 0.000 0.601 82 G N 0.178 108.968 108.800 -0.016 0.000 2.698 82 G HA2 -0.155 3.805 3.960 0.000 0.000 0.225 82 G HA3 -0.155 3.805 3.960 0.000 0.000 0.225 82 G C -1.111 173.790 174.900 0.002 0.000 1.345 82 G CA -0.760 44.335 45.100 -0.007 0.000 0.871 82 G HN 0.380 nan 8.290 nan 0.000 0.540 83 E N -0.834 119.370 120.200 0.007 0.000 2.183 83 E HA 0.576 4.927 4.350 0.000 0.000 0.271 83 E C -0.863 175.762 176.600 0.041 0.000 0.919 83 E CA -0.761 55.648 56.400 0.016 0.000 0.781 83 E CB 1.961 31.657 29.700 -0.007 0.000 1.140 83 E HN 0.499 nan 8.360 nan 0.000 0.402 84 F N 2.619 122.513 119.950 -0.093 0.000 2.410 84 F HA 0.377 4.904 4.527 0.000 0.000 0.348 84 F C -0.763 174.962 175.800 -0.125 0.000 1.106 84 F CA -0.556 57.373 58.000 -0.118 0.000 1.163 84 F CB 0.704 39.606 39.000 -0.163 0.000 1.129 84 F HN 0.085 nan 8.300 nan 0.000 0.516 85 V N 7.312 126.572 119.914 -1.089 0.000 2.655 85 V HA 0.293 4.413 4.120 0.000 0.000 0.301 85 V C -2.373 172.990 176.094 -1.219 0.000 1.082 85 V CA -1.834 59.884 62.300 -0.971 0.000 0.899 85 V CB 1.863 33.449 31.823 -0.396 0.000 1.014 85 V HN 0.642 nan 8.190 nan 0.000 0.429 86 P HA 0.131 nan 4.420 nan 0.000 0.264 86 P C 0.434 177.388 177.300 -0.575 0.000 1.183 86 P CA 0.767 63.232 63.100 -1.058 0.000 0.763 86 P CB 0.139 30.912 31.700 -1.546 0.000 0.807 87 H N -0.084 119.000 119.070 0.023 0.000 5.117 87 H HA -0.220 4.337 4.556 0.000 0.000 0.074 87 H C 1.495 176.836 175.328 0.022 0.000 0.550 87 H CA 1.911 57.985 56.048 0.043 0.000 1.091 87 H CB -2.385 27.455 29.762 0.130 0.000 0.520 87 H HN 0.385 nan 8.280 nan 0.000 0.712 88 V N -0.533 119.434 119.914 0.089 0.000 2.568 88 V HA -0.147 3.973 4.120 0.000 0.000 0.253 88 V C 1.586 177.698 176.094 0.030 0.000 1.072 88 V CA 2.645 64.974 62.300 0.048 0.000 1.084 88 V CB -0.106 31.719 31.823 0.002 0.000 0.676 88 V HN 0.360 nan 8.190 nan 0.000 0.469 89 D N -0.572 119.840 120.400 0.018 0.000 2.398 89 D HA 0.050 4.691 4.640 0.000 0.000 0.210 89 D C 1.354 177.682 176.300 0.048 0.000 1.094 89 D CA 0.485 54.499 54.000 0.023 0.000 0.839 89 D CB 0.214 41.017 40.800 0.005 0.000 0.963 89 D HN 0.497 nan 8.370 nan 0.000 0.506 90 D N 1.485 121.931 120.400 0.076 0.000 2.178 90 D HA -0.115 4.525 4.640 0.000 0.000 0.202 90 D C 1.715 178.054 176.300 0.064 0.000 0.974 90 D CA 0.763 54.813 54.000 0.084 0.000 0.841 90 D CB 0.301 41.169 40.800 0.113 0.000 0.953 90 D HN 0.391 nan 8.370 nan 0.000 0.478 91 E N 0.847 121.085 120.200 0.063 0.000 2.028 91 E HA -0.118 4.233 4.350 0.000 0.000 0.191 91 E C 2.177 178.804 176.600 0.044 0.000 0.988 91 E CA 0.928 57.361 56.400 0.057 0.000 0.799 91 E CB 0.000 29.735 29.700 0.058 0.000 0.755 91 E HN 0.154 nan 8.360 nan 0.000 0.447 92 A N 1.613 124.456 122.820 0.038 0.000 1.898 92 A HA -0.201 4.120 4.320 0.000 0.000 0.216 92 A C 1.716 179.317 177.584 0.028 0.000 1.181 92 A CA 1.722 53.778 52.037 0.031 0.000 0.620 92 A CB -0.388 18.626 19.000 0.024 0.000 0.819 92 A HN 0.097 nan 8.150 nan 0.000 0.442 93 D N 0.102 120.519 120.400 0.028 0.000 2.144 93 D HA -0.031 4.610 4.640 0.000 0.000 0.199 93 D C 2.167 178.481 176.300 0.023 0.000 0.984 93 D CA 1.434 55.446 54.000 0.021 0.000 0.834 93 D CB -0.344 40.469 40.800 0.021 0.000 0.955 93 D HN 0.428 nan 8.370 nan 0.000 0.465 94 A N 0.749 123.587 122.820 0.030 0.000 1.898 94 A HA -0.184 4.136 4.320 0.000 0.000 0.216 94 A C 2.125 179.731 177.584 0.037 0.000 1.181 94 A CA 1.685 53.739 52.037 0.029 0.000 0.620 94 A CB -0.567 18.450 19.000 0.028 0.000 0.819 94 A HN 0.268 nan 8.150 nan 0.000 0.442 95 E N -0.047 120.175 120.200 0.037 0.000 2.058 95 E HA -0.258 4.092 4.350 0.000 0.000 0.194 95 E C 1.198 177.827 176.600 0.048 0.000 0.997 95 E CA 1.579 58.002 56.400 0.039 0.000 0.801 95 E CB -0.167 29.553 29.700 0.034 0.000 0.746 95 E HN 0.522 nan 8.360 nan 0.000 0.450 96 D N -0.335 120.093 120.400 0.047 0.000 2.178 96 D HA -0.103 4.537 4.640 0.000 0.000 0.202 96 D C 1.894 178.253 176.300 0.099 0.000 0.974 96 D CA 1.390 55.426 54.000 0.061 0.000 0.841 96 D CB -0.388 40.435 40.800 0.039 0.000 0.953 96 D HN 0.205 nan 8.370 nan 0.000 0.478 97 T N 0.997 115.600 114.554 0.082 0.000 2.812 97 T HA -0.009 4.341 4.350 0.000 0.000 0.264 97 T C 2.231 177.044 174.700 0.189 0.000 1.042 97 T CA 0.417 62.591 62.100 0.124 0.000 1.140 97 T CB -0.151 68.754 68.868 0.061 0.000 0.870 97 T HN 0.111 nan 8.240 nan 0.000 0.445 98 L N 0.825 122.114 121.223 0.111 0.000 2.083 98 L HA -0.094 4.246 4.340 0.000 0.000 0.209 98 L C 2.851 179.761 176.870 0.067 0.000 1.083 98 L CA 0.942 55.831 54.840 0.082 0.000 0.752 98 L CB -0.595 41.491 42.059 0.045 0.000 0.899 98 L HN 0.226 nan 8.230 nan 0.000 0.433 99 S N -0.993 114.753 115.700 0.078 0.000 2.368 99 S HA -0.237 4.233 4.470 0.000 0.000 0.225 99 S C 1.523 176.159 174.600 0.059 0.000 1.030 99 S CA 1.445 59.676 58.200 0.051 0.000 0.999 99 S CB -0.443 62.793 63.200 0.060 0.000 0.844 99 S HN 0.554 nan 8.310 nan 0.000 0.459 100 W N 2.286 123.559 121.300 -0.045 0.000 2.355 100 W HA -0.060 4.600 4.660 0.001 0.000 0.309 100 W C 1.718 178.169 176.519 -0.113 0.000 1.206 100 W CA 1.060 58.372 57.345 -0.055 0.000 1.284 100 W CB -0.490 28.959 29.460 -0.017 0.000 1.145 100 W HN 0.180 nan 8.180 nan 0.000 0.502 101 I N 0.455 121.027 120.570 0.002 0.000 2.208 101 I HA -0.360 3.810 4.170 0.000 0.000 0.245 101 I C 2.359 178.177 176.117 -0.499 0.000 1.097 101 I CA 1.486 62.598 61.300 -0.313 0.000 1.363 101 I CB -0.804 37.202 38.000 0.010 0.000 1.051 101 I HN -0.001 nan 8.210 nan 0.000 0.413 102 L N 0.227 121.284 121.223 -0.276 0.000 2.265 102 L HA -0.186 4.154 4.340 0.000 0.000 0.215 102 L C 2.185 178.863 176.870 -0.320 0.000 1.117 102 L CA 1.223 55.911 54.840 -0.254 0.000 0.782 102 L CB -0.473 41.505 42.059 -0.134 0.000 0.914 102 L HN 0.296 nan 8.230 nan 0.000 0.441 103 E N -1.019 118.949 120.200 -0.387 0.000 2.371 103 E HA -0.040 4.310 4.350 0.000 0.000 0.194 103 E C 0.399 176.692 176.600 -0.512 0.000 1.012 103 E CA -0.087 56.090 56.400 -0.373 0.000 0.860 103 E CB 0.224 29.742 29.700 -0.303 0.000 0.811 103 E HN 0.390 nan 8.360 nan 0.000 0.502 104 Q N 0.102 119.414 119.800 -0.813 0.000 2.392 104 Q HA 0.107 4.448 4.340 0.000 0.000 0.262 104 Q C 0.913 176.469 176.000 -0.740 0.000 1.003 104 Q CA 0.135 55.347 55.803 -0.984 0.000 0.888 104 Q CB 0.934 28.573 28.738 -1.830 0.000 1.260 104 Q HN 0.135 nan 8.270 nan 0.000 0.435 105 A N 3.263 125.794 122.820 -0.482 0.000 1.978 105 A HA -0.139 4.181 4.320 0.000 0.000 0.220 105 A C 1.349 178.854 177.584 -0.131 0.000 1.170 105 A CA 1.351 53.260 52.037 -0.214 0.000 0.636 105 A CB -0.585 18.389 19.000 -0.043 0.000 0.810 105 A HN 0.882 nan 8.150 nan 0.000 0.448 106 W N -2.189 119.063 121.300 -0.080 0.000 3.256 106 W HA 0.345 5.005 4.660 0.000 0.000 0.269 106 W C 0.383 176.872 176.519 -0.050 0.000 1.310 106 W CA -0.464 56.853 57.345 -0.047 0.000 1.673 106 W CB -1.435 28.013 29.460 -0.020 0.000 1.115 106 W HN 0.291 nan 8.180 nan 0.000 0.686 107 C N 5.300 124.404 119.300 -0.327 0.000 2.307 107 C HA 0.197 4.657 4.460 0.000 0.000 0.340 107 C C 1.417 176.320 174.990 -0.145 0.000 1.275 107 C CA -0.445 58.431 59.018 -0.237 0.000 1.811 107 C CB 0.446 27.885 27.740 -0.502 0.000 2.372 107 C HN 0.367 nan 8.230 nan 0.000 0.531 108 D N 2.453 122.817 120.400 -0.061 0.000 2.336 108 D HA 0.202 4.842 4.640 0.000 0.000 0.228 108 D C 1.346 177.608 176.300 -0.062 0.000 1.120 108 D CA 0.603 54.569 54.000 -0.057 0.000 0.839 108 D CB -0.311 40.469 40.800 -0.034 0.000 0.932 108 D HN 1.253 nan 8.370 nan 0.000 0.509 109 G N 0.099 108.850 108.800 -0.081 0.000 2.175 109 G HA2 -0.246 3.715 3.960 0.000 0.000 0.244 109 G HA3 -0.246 3.715 3.960 0.000 0.000 0.244 109 G C -0.212 174.664 174.900 -0.040 0.000 0.982 109 G CA -0.259 44.800 45.100 -0.068 0.000 0.641 109 G HN 0.430 nan 8.290 nan 0.000 0.527 110 N N 0.198 118.883 118.700 -0.026 0.000 2.442 110 N HA 0.551 5.292 4.740 0.000 0.000 0.274 110 N C -0.660 174.859 175.510 0.014 0.000 1.002 110 N CA -0.151 52.899 53.050 -0.000 0.000 0.910 110 N CB 2.475 40.967 38.487 0.009 0.000 1.244 110 N HN 0.110 nan 8.380 nan 0.000 0.492 111 V N 0.435 120.356 119.914 0.012 0.000 2.680 111 V HA 0.847 4.968 4.120 0.000 0.000 0.309 111 V C 0.564 176.657 176.094 -0.001 0.000 1.052 111 V CA -0.709 61.598 62.300 0.012 0.000 0.908 111 V CB 2.038 33.868 31.823 0.012 0.000 1.001 111 V HN 0.721 nan 8.190 nan 0.000 0.431 112 G N 2.679 111.445 108.800 -0.055 0.000 2.798 112 G HA2 0.861 4.821 3.960 0.000 0.000 0.286 112 G HA3 0.861 4.821 3.960 0.000 0.000 0.286 112 G C -1.409 173.457 174.900 -0.057 0.000 1.389 112 G CA -0.789 44.266 45.100 -0.075 0.000 0.894 112 G HN 0.520 nan 8.290 nan 0.000 0.488 113 M N -0.393 119.250 119.600 0.072 0.000 2.575 113 M HA 0.662 5.142 4.480 0.000 0.000 0.284 113 M C -1.378 175.142 176.300 0.367 0.000 1.253 113 M CA -0.600 54.758 55.300 0.097 0.000 0.861 113 M CB 2.923 35.513 32.600 -0.017 0.000 1.733 113 M HN 0.686 nan 8.290 nan 0.000 0.462 114 F N -1.042 118.942 119.950 0.058 0.000 2.713 114 F HA 0.982 5.509 4.527 0.000 0.000 0.311 114 F C -0.610 175.192 175.800 0.004 0.000 1.141 114 F CA -0.685 57.414 58.000 0.164 0.000 0.939 114 F CB 1.354 40.595 39.000 0.403 0.000 1.325 114 F HN 0.841 nan 8.300 nan 0.000 0.453 115 G N 0.130 108.989 108.800 0.098 0.000 2.347 115 G HA2 0.489 4.449 3.960 0.000 0.000 0.321 115 G HA3 0.489 4.449 3.960 0.000 0.000 0.321 115 G C -2.655 172.225 174.900 -0.033 0.000 1.412 115 G CA -0.245 44.761 45.100 -0.156 0.000 0.990 115 G HN 1.639 nan 8.290 nan 0.000 0.637 116 V N 0.862 120.746 119.914 -0.049 0.000 2.667 116 V HA 0.864 4.984 4.120 0.000 0.000 0.308 116 V C 1.276 177.342 176.094 -0.046 0.000 1.048 116 V CA 1.553 63.832 62.300 -0.036 0.000 0.928 116 V CB 0.952 32.758 31.823 -0.029 0.000 1.004 116 V HN 3.091 nan 8.190 nan 0.000 0.444 117 A N 5.296 128.031 122.820 -0.141 0.000 5.150 117 A HA -0.390 3.930 4.320 0.000 0.000 0.324 117 A C 1.214 178.735 177.584 -0.105 0.000 1.862 117 A CA 2.111 53.986 52.037 -0.269 0.000 0.710 117 A CB -2.244 16.802 19.000 0.077 0.000 1.367 117 A HN 1.855 nan 8.150 nan 0.000 0.380 118 Y N -0.020 120.303 120.300 0.038 0.000 2.274 118 Y HA 0.016 4.566 4.550 0.000 0.000 0.290 118 Y C 2.054 177.949 175.900 -0.007 0.000 1.145 118 Y CA 2.506 60.667 58.100 0.101 0.000 1.203 118 Y CB -0.213 38.395 38.460 0.247 0.000 0.984 118 Y HN 0.413 nan 8.280 nan 0.000 0.533 119 L N -0.766 120.527 121.223 0.117 0.000 2.551 119 L HA 0.038 4.379 4.340 0.000 0.000 0.228 119 L C 2.347 179.130 176.870 -0.144 0.000 1.153 119 L CA 1.418 56.192 54.840 -0.109 0.000 0.851 119 L CB -0.890 40.953 42.059 -0.360 0.000 0.959 119 L HN 0.294 nan 8.230 nan 0.000 0.451 120 G N -1.935 106.804 108.800 -0.102 0.000 2.641 120 G HA2 -0.006 3.954 3.960 0.000 0.000 0.207 120 G HA3 -0.006 3.954 3.960 0.000 0.000 0.207 120 G C 1.487 176.340 174.900 -0.077 0.000 1.137 120 G CA 0.436 45.467 45.100 -0.115 0.000 0.824 120 G HN 0.109 nan 8.290 nan 0.000 0.547 121 V N 2.435 122.325 119.914 -0.041 0.000 2.332 121 V HA -0.212 3.908 4.120 0.000 0.000 0.248 121 V C 3.330 179.433 176.094 0.016 0.000 1.055 121 V CA 2.517 64.841 62.300 0.040 0.000 1.038 121 V CB -1.064 30.695 31.823 -0.107 0.000 0.651 121 V HN 0.620 nan 8.190 nan 0.000 0.450 122 T N -1.957 112.554 114.554 -0.071 0.000 2.929 122 T HA -0.255 4.095 4.350 0.000 0.000 0.271 122 T C 1.683 176.360 174.700 -0.039 0.000 1.085 122 T CA 1.479 63.558 62.100 -0.035 0.000 1.125 122 T CB -0.315 68.544 68.868 -0.015 0.000 0.874 122 T HN 0.584 nan 8.240 nan 0.000 0.494 123 Q N -0.246 119.487 119.800 -0.112 0.000 2.123 123 Q HA 0.025 4.365 4.340 0.000 0.000 0.199 123 Q C 1.965 177.862 176.000 -0.170 0.000 0.966 123 Q CA 1.206 56.894 55.803 -0.192 0.000 0.845 123 Q CB -0.240 28.301 28.738 -0.329 0.000 0.907 123 Q HN 0.708 nan 8.270 nan 0.000 0.439 124 W N 1.366 122.669 121.300 0.005 0.000 2.388 124 W HA -0.132 4.528 4.660 0.000 0.000 0.294 124 W C 2.192 178.717 176.519 0.011 0.000 1.212 124 W CA 0.519 57.872 57.345 0.014 0.000 1.271 124 W CB 0.144 29.616 29.460 0.020 0.000 1.126 124 W HN 0.198 nan 8.180 nan 0.000 0.535 125 Q N -0.255 119.671 119.800 0.211 0.000 2.224 125 Q HA -0.107 4.234 4.340 0.000 0.000 0.203 125 Q C 2.331 178.386 176.000 0.092 0.000 0.970 125 Q CA 1.354 57.237 55.803 0.133 0.000 0.865 125 Q CB -0.320 28.474 28.738 0.093 0.000 0.922 125 Q HN 0.310 nan 8.270 nan 0.000 0.445 126 A N 0.669 123.527 122.820 0.063 0.000 1.935 126 A HA 0.116 4.437 4.320 0.000 0.000 0.214 126 A C 2.232 179.845 177.584 0.048 0.000 1.178 126 A CA 0.985 53.045 52.037 0.038 0.000 0.640 126 A CB -0.416 18.586 19.000 0.004 0.000 0.825 126 A HN 0.339 nan 8.150 nan 0.000 0.447 127 A N 0.222 123.081 122.820 0.066 0.000 1.972 127 A HA -0.012 4.308 4.320 0.000 0.000 0.219 127 A C 2.052 179.695 177.584 0.098 0.000 1.169 127 A CA 1.839 53.926 52.037 0.084 0.000 0.635 127 A CB -1.045 18.036 19.000 0.134 0.000 0.810 127 A HN 1.125 nan 8.150 nan 0.000 0.446 128 V N -1.186 118.795 119.914 0.111 0.000 3.573 128 V HA -0.028 4.093 4.120 0.000 0.000 0.270 128 V C 1.970 178.097 176.094 0.055 0.000 1.221 128 V CA 1.586 63.935 62.300 0.082 0.000 1.163 128 V CB -1.072 30.801 31.823 0.084 0.000 0.847 128 V HN 0.628 nan 8.190 nan 0.000 0.468 129 S N 0.506 116.237 115.700 0.051 0.000 2.453 129 S HA 0.213 4.683 4.470 0.000 0.000 0.231 129 S C 1.902 176.520 174.600 0.029 0.000 1.005 129 S CA 0.994 59.217 58.200 0.038 0.000 0.949 129 S CB -0.364 62.857 63.200 0.036 0.000 0.774 129 S HN 1.818 nan 8.310 nan 0.000 0.510 130 G N 0.343 109.160 108.800 0.028 0.000 2.143 130 G HA2 -0.233 3.728 3.960 0.000 0.000 0.249 130 G HA3 -0.233 3.728 3.960 0.000 0.000 0.249 130 G C 0.014 174.923 174.900 0.014 0.000 0.981 130 G CA 0.028 45.140 45.100 0.020 0.000 0.665 130 G HN 0.763 nan 8.290 nan 0.000 0.528 131 V N 1.400 121.324 119.914 0.016 0.000 2.421 131 V HA 0.423 4.544 4.120 0.000 0.000 0.271 131 V C 2.067 178.164 176.094 0.005 0.000 1.031 131 V CA 0.898 63.203 62.300 0.010 0.000 1.032 131 V CB 0.617 32.447 31.823 0.013 0.000 1.009 131 V HN 0.586 nan 8.190 nan 0.000 0.477 132 G N 4.474 113.274 108.800 -0.000 0.000 2.475 132 G HA2 -0.195 3.765 3.960 0.000 0.000 0.220 132 G HA3 -0.195 3.765 3.960 0.000 0.000 0.220 132 G C 1.511 176.408 174.900 -0.006 0.000 1.125 132 G CA 0.854 45.952 45.100 -0.003 0.000 0.755 132 G HN 0.878 nan 8.290 nan 0.000 0.565 133 G N -0.047 108.747 108.800 -0.010 0.000 2.470 133 G HA2 0.013 3.974 3.960 0.000 0.000 0.220 133 G HA3 0.013 3.974 3.960 0.000 0.000 0.220 133 G C 0.733 175.631 174.900 -0.004 0.000 1.121 133 G CA 0.120 45.212 45.100 -0.014 0.000 0.766 133 G HN 0.427 nan 8.290 nan 0.000 0.553 134 L N 1.118 122.342 121.223 0.002 0.000 2.407 134 L HA 0.348 4.688 4.340 0.000 0.000 0.282 134 L C 0.945 177.819 176.870 0.007 0.000 1.110 134 L CA -0.290 54.555 54.840 0.008 0.000 0.863 134 L CB 0.725 42.790 42.059 0.010 0.000 1.207 134 L HN -0.160 nan 8.230 nan 0.000 0.454 135 K N 4.181 124.590 120.400 0.015 0.000 2.379 135 K HA 0.507 4.828 4.320 0.000 0.000 0.194 135 K C 0.075 176.662 176.600 -0.023 0.000 1.031 135 K CA 0.620 56.911 56.287 0.005 0.000 1.037 135 K CB 0.329 32.848 32.500 0.032 0.000 0.824 135 K HN 0.611 nan 8.250 nan 0.000 0.516 136 A N 1.000 123.844 122.820 0.040 0.000 2.590 136 A HA 0.597 4.917 4.320 0.000 0.000 0.294 136 A C -1.264 176.462 177.584 0.237 0.000 1.046 136 A CA -0.976 51.117 52.037 0.094 0.000 0.684 136 A CB 0.730 19.751 19.000 0.036 0.000 1.279 136 A HN 0.162 nan 8.150 nan 0.000 0.415 137 I N -2.174 118.537 120.570 0.236 0.000 3.042 137 I HA 0.959 5.129 4.170 0.000 0.000 0.310 137 I C -0.160 176.029 176.117 0.120 0.000 1.117 137 I CA -1.088 60.292 61.300 0.133 0.000 1.003 137 I CB 2.562 40.451 38.000 -0.185 0.000 1.228 137 I HN 1.274 nan 8.210 nan 0.000 0.443 138 A N 3.546 126.416 122.820 0.083 0.000 3.127 138 A HA 0.685 5.005 4.320 0.000 0.000 0.319 138 A C -2.913 174.682 177.584 0.018 0.000 1.104 138 A CA -1.244 50.786 52.037 -0.011 0.000 0.802 138 A CB 0.012 19.065 19.000 0.089 0.000 1.193 138 A HN 0.511 nan 8.150 nan 0.000 0.479 139 P HA 0.276 nan 4.420 nan 0.000 0.287 139 P C -0.090 177.219 177.300 0.016 0.000 1.307 139 P CA 0.201 63.231 63.100 -0.117 0.000 0.777 139 P CB 1.509 33.017 31.700 -0.321 0.000 0.883 140 S N 4.073 119.793 115.700 0.033 0.000 2.475 140 S HA 0.467 4.937 4.470 0.000 0.000 0.298 140 S C 0.507 175.092 174.600 -0.026 0.000 1.119 140 S CA -0.494 57.735 58.200 0.047 0.000 1.085 140 S CB -0.243 63.007 63.200 0.084 0.000 1.028 140 S HN 0.444 nan 8.310 nan 0.000 0.489 141 M N 1.941 121.539 119.600 -0.003 0.000 2.175 141 M HA -0.265 4.216 4.480 0.000 0.000 0.192 141 M C 0.066 176.180 176.300 -0.310 0.000 0.473 141 M CA 0.768 56.044 55.300 -0.039 0.000 0.414 141 M CB -2.145 30.448 32.600 -0.010 0.000 1.069 141 M HN 0.656 nan 8.290 nan 0.000 0.933 142 A N -0.207 122.533 122.820 -0.135 0.000 2.414 142 A HA 0.948 5.269 4.320 0.000 0.000 0.278 142 A C -0.175 177.504 177.584 0.157 0.000 1.228 142 A CA 0.015 51.955 52.037 -0.162 0.000 0.857 142 A CB 2.192 21.213 19.000 0.036 0.000 1.389 142 A HN 0.425 nan 8.150 nan 0.000 0.452 143 S N -2.411 113.422 115.700 0.223 0.000 2.556 143 S HA 0.607 5.078 4.470 0.000 0.000 0.271 143 S C -0.180 174.462 174.600 0.070 0.000 1.135 143 S CA 0.288 58.592 58.200 0.172 0.000 0.858 143 S CB 1.717 65.040 63.200 0.205 0.000 1.114 143 S HN 1.959 nan 8.310 nan 0.000 0.468 144 A N 1.826 124.584 122.820 -0.103 0.000 2.470 144 A HA 0.412 4.732 4.320 0.000 0.000 0.251 144 A C -0.002 177.577 177.584 -0.009 0.000 1.245 144 A CA -0.042 51.898 52.037 -0.161 0.000 0.932 144 A CB 0.035 18.746 19.000 -0.482 0.000 1.037 144 A HN 0.679 nan 8.150 nan 0.000 0.522 145 D N 0.669 121.055 120.400 -0.022 0.000 2.336 145 D HA 0.213 4.854 4.640 0.000 0.000 0.248 145 D C 0.497 176.783 176.300 -0.023 0.000 1.326 145 D CA -0.372 53.624 54.000 -0.007 0.000 0.973 145 D CB 0.855 41.599 40.800 -0.093 0.000 1.255 145 D HN -0.049 nan 8.370 nan 0.000 0.558 146 L N 2.950 124.197 121.223 0.040 0.000 2.265 146 L HA -0.153 4.188 4.340 0.000 0.000 0.215 146 L C 1.855 178.693 176.870 -0.054 0.000 1.117 146 L CA 1.236 56.093 54.840 0.028 0.000 0.782 146 L CB -1.362 40.835 42.059 0.229 0.000 0.914 146 L HN 0.550 nan 8.230 nan 0.000 0.441 147 Y N 1.224 121.357 120.300 -0.277 0.000 2.184 147 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 147 Y C 2.816 178.501 175.900 -0.358 0.000 1.129 147 Y CA 1.450 59.149 58.100 -0.669 0.000 1.144 147 Y CB -0.049 37.916 38.460 -0.825 0.000 0.995 147 Y HN 0.005 nan 8.280 nan 0.000 0.513 148 R N 0.307 120.765 120.500 -0.069 0.000 2.148 148 R HA 0.170 4.510 4.340 0.000 0.000 0.227 148 R C -0.096 176.078 176.300 -0.210 0.000 1.103 148 R CA 0.796 56.828 56.100 -0.112 0.000 0.983 148 R CB -0.082 30.147 30.300 -0.118 0.000 0.874 148 R HN 0.262 nan 8.270 nan 0.000 0.451 149 A N 0.161 122.815 122.820 -0.277 0.000 2.547 149 A HA 0.306 4.627 4.320 0.000 0.000 0.298 149 A C -2.513 174.726 177.584 -0.574 0.000 1.062 149 A CA -1.079 50.700 52.037 -0.430 0.000 0.748 149 A CB 1.540 20.353 19.000 -0.311 0.000 1.288 149 A HN -0.098 nan 8.150 nan 0.000 0.396 150 P HA 0.138 nan 4.420 nan 0.000 0.275 150 P C 0.440 177.291 177.300 -0.748 0.000 1.310 150 P CA 0.196 62.630 63.100 -1.109 0.000 0.904 150 P CB -0.018 30.720 31.700 -1.603 0.000 1.381 151 W N -1.014 120.152 121.300 -0.223 0.000 2.443 151 W HA -0.007 4.653 4.660 0.000 0.000 0.296 151 W C 1.479 177.689 176.519 -0.513 0.000 1.202 151 W CA 0.110 57.317 57.345 -0.231 0.000 1.312 151 W CB -0.509 28.953 29.460 0.004 0.000 1.120 151 W HN -0.085 nan 8.180 nan 0.000 0.536 152 Y N -1.037 118.977 120.300 -0.477 0.000 2.915 152 Y HA 0.683 5.233 4.550 0.000 0.000 0.244 152 Y C 0.919 176.565 175.900 -0.423 0.000 1.600 152 Y CA 0.122 57.841 58.100 -0.635 0.000 1.161 152 Y CB 0.307 37.813 38.460 -1.590 0.000 1.151 152 Y HN -0.255 nan 8.280 nan 0.000 0.603 153 G N -1.270 107.364 108.800 -0.277 0.000 2.328 153 G HA2 0.268 4.228 3.960 0.000 0.000 0.295 153 G HA3 0.268 4.228 3.960 0.000 0.000 0.295 153 G C -2.745 172.127 174.900 -0.047 0.000 1.413 153 G CA -0.857 44.179 45.100 -0.107 0.000 0.817 153 G HN 0.051 nan 8.290 nan 0.000 0.546 154 P HA 0.041 nan 4.420 nan 0.000 0.221 154 P C 1.719 178.994 177.300 -0.042 0.000 1.145 154 P CA 1.698 64.776 63.100 -0.036 0.000 0.795 154 P CB 0.225 31.899 31.700 -0.043 0.000 0.775 155 G N -1.673 107.080 108.800 -0.078 0.000 2.777 155 G HA2 0.256 4.216 3.960 0.000 0.000 0.211 155 G HA3 0.256 4.216 3.960 0.000 0.000 0.211 155 G C 1.087 175.958 174.900 -0.048 0.000 1.149 155 G CA 0.423 45.472 45.100 -0.086 0.000 0.785 155 G HN 0.383 nan 8.290 nan 0.000 0.536 156 G N -1.358 107.394 108.800 -0.080 0.000 2.132 156 G HA2 0.168 4.128 3.960 0.000 0.000 0.234 156 G HA3 0.168 4.128 3.960 0.000 0.000 0.234 156 G C 0.304 175.221 174.900 0.029 0.000 0.989 156 G CA 0.224 45.214 45.100 -0.183 0.000 0.676 156 G HN 1.345 nan 8.290 nan 0.000 0.522 157 A N -0.425 122.398 122.820 0.006 0.000 2.325 157 A HA 0.855 5.175 4.320 0.000 0.000 0.333 157 A C 0.083 177.720 177.584 0.088 0.000 1.155 157 A CA -0.476 51.602 52.037 0.068 0.000 0.814 157 A CB 1.386 20.309 19.000 -0.128 0.000 1.206 157 A HN 1.539 nan 8.150 nan 0.000 0.482 158 L N 1.902 123.124 121.223 -0.003 0.000 2.410 158 L HA 0.327 4.668 4.340 0.000 0.000 0.273 158 L C 0.376 177.165 176.870 -0.136 0.000 1.152 158 L CA 0.689 55.254 54.840 -0.458 0.000 0.855 158 L CB 1.050 42.885 42.059 -0.373 0.000 1.129 158 L HN 0.478 nan 8.230 nan 0.000 0.463 159 S N 4.520 120.094 115.700 -0.210 0.000 3.869 159 S HA 0.047 4.517 4.470 0.000 0.000 0.241 159 S C 1.262 175.820 174.600 -0.070 0.000 1.363 159 S CA -0.041 58.089 58.200 -0.117 0.000 0.894 159 S CB 0.363 63.473 63.200 -0.150 0.000 1.519 159 S HN 0.680 nan 8.310 nan 0.000 0.470 160 V N 3.171 123.049 119.914 -0.061 0.000 2.392 160 V HA -0.252 3.868 4.120 0.000 0.000 0.249 160 V C 2.335 178.428 176.094 -0.001 0.000 1.059 160 V CA 2.592 64.877 62.300 -0.025 0.000 1.051 160 V CB -0.299 31.530 31.823 0.011 0.000 0.658 160 V HN 0.844 nan 8.190 nan 0.000 0.455 161 E N 1.094 121.263 120.200 -0.053 0.000 2.150 161 E HA -0.058 4.292 4.350 0.000 0.000 0.193 161 E C 2.013 178.753 176.600 0.233 0.000 0.985 161 E CA 1.689 58.102 56.400 0.021 0.000 0.814 161 E CB -0.888 28.786 29.700 -0.044 0.000 0.752 161 E HN 0.557 nan 8.360 nan 0.000 0.466 162 A N 0.993 123.955 122.820 0.238 0.000 1.898 162 A HA -0.039 4.281 4.320 0.000 0.000 0.216 162 A C 2.195 180.176 177.584 0.663 0.000 1.181 162 A CA 1.365 53.686 52.037 0.473 0.000 0.620 162 A CB -0.751 18.357 19.000 0.181 0.000 0.819 162 A HN 0.318 nan 8.150 nan 0.000 0.442 163 L N 0.017 121.524 121.223 0.474 0.000 1.994 163 L HA -0.106 4.234 4.340 0.000 0.000 0.208 163 L C 2.322 179.341 176.870 0.249 0.000 1.071 163 L CA 1.830 56.890 54.840 0.366 0.000 0.745 163 L CB -0.552 41.572 42.059 0.107 0.000 0.892 163 L HN 0.407 nan 8.230 nan 0.000 0.431 164 L N -0.900 120.405 121.223 0.137 0.000 2.093 164 L HA -0.085 4.255 4.340 0.000 0.000 0.208 164 L C 2.530 179.385 176.870 -0.024 0.000 1.085 164 L CA 1.143 56.016 54.840 0.054 0.000 0.755 164 L CB -1.534 40.541 42.059 0.027 0.000 0.904 164 L HN 0.475 nan 8.230 nan 0.000 0.435 165 G N -0.574 108.187 108.800 -0.066 0.000 2.433 165 G HA2 -0.311 3.649 3.960 0.000 0.000 0.216 165 G HA3 -0.311 3.649 3.960 0.000 0.000 0.216 165 G C 1.277 175.652 174.900 -0.876 0.000 1.186 165 G CA 0.495 45.301 45.100 -0.489 0.000 0.779 165 G HN 0.435 nan 8.290 nan 0.000 0.543 166 W N 1.858 122.651 121.300 -0.846 0.000 2.358 166 W HA -0.048 4.612 4.660 0.000 0.000 0.303 166 W C 2.867 179.348 176.519 -0.065 0.000 1.208 166 W CA 1.700 58.851 57.345 -0.323 0.000 1.274 166 W CB -0.247 29.492 29.460 0.465 0.000 1.138 166 W HN 0.195 nan 8.180 nan 0.000 0.515 167 S N 0.317 116.064 115.700 0.079 0.000 2.368 167 S HA -0.201 4.269 4.470 0.000 0.000 0.225 167 S C 2.002 176.487 174.600 -0.192 0.000 1.030 167 S CA 1.543 59.719 58.200 -0.040 0.000 0.999 167 S CB -0.986 62.285 63.200 0.119 0.000 0.844 167 S HN 0.375 nan 8.310 nan 0.000 0.459 168 A N 1.228 123.933 122.820 -0.193 0.000 1.930 168 A HA 0.035 4.356 4.320 0.000 0.000 0.217 168 A C 2.102 179.520 177.584 -0.275 0.000 1.175 168 A CA 0.995 52.906 52.037 -0.210 0.000 0.627 168 A CB -0.613 18.276 19.000 -0.186 0.000 0.815 168 A HN 0.445 nan 8.150 nan 0.000 0.443 169 L N -0.400 120.619 121.223 -0.340 0.000 2.056 169 L HA -0.152 4.189 4.340 0.000 0.000 0.207 169 L C 2.420 179.091 176.870 -0.332 0.000 1.078 169 L CA 0.767 55.421 54.840 -0.311 0.000 0.749 169 L CB -0.416 41.469 42.059 -0.291 0.000 0.901 169 L HN 0.309 nan 8.230 nan 0.000 0.433 170 I N 0.169 120.435 120.570 -0.506 0.000 2.226 170 I HA -0.194 3.977 4.170 0.000 0.000 0.245 170 I C 2.653 178.570 176.117 -0.332 0.000 1.100 170 I CA 1.732 62.725 61.300 -0.513 0.000 1.374 170 I CB -1.802 35.740 38.000 -0.763 0.000 1.057 170 I HN 0.246 nan 8.210 nan 0.000 0.413 171 G N 0.296 108.934 108.800 -0.271 0.000 2.446 171 G HA2 -0.253 3.708 3.960 0.000 0.000 0.217 171 G HA3 -0.253 3.708 3.960 0.000 0.000 0.217 171 G C 1.655 176.444 174.900 -0.185 0.000 1.168 171 G CA 1.430 46.415 45.100 -0.192 0.000 0.771 171 G HN 0.326 nan 8.290 nan 0.000 0.551 172 T N 0.872 115.289 114.554 -0.229 0.000 2.759 172 T HA -0.050 4.300 4.350 0.000 0.000 0.269 172 T C 2.444 177.083 174.700 -0.100 0.000 1.042 172 T CA 1.481 63.435 62.100 -0.243 0.000 1.140 172 T CB -0.427 68.216 68.868 -0.375 0.000 0.864 172 T HN 0.371 nan 8.240 nan 0.000 0.455 173 G N 1.011 109.739 108.800 -0.119 0.000 2.403 173 G HA2 -0.047 3.914 3.960 0.000 0.000 0.216 173 G HA3 -0.047 3.914 3.960 0.000 0.000 0.216 173 G C 1.484 176.242 174.900 -0.236 0.000 1.154 173 G CA 0.194 45.246 45.100 -0.080 0.000 0.784 173 G HN 0.433 nan 8.290 nan 0.000 0.538 174 L N 0.045 121.112 121.223 -0.260 0.000 2.083 174 L HA -0.015 4.325 4.340 0.000 0.000 0.209 174 L C 2.781 179.545 176.870 -0.177 0.000 1.083 174 L CA 0.687 55.363 54.840 -0.273 0.000 0.752 174 L CB -0.289 41.648 42.059 -0.204 0.000 0.899 174 L HN 0.223 nan 8.230 nan 0.000 0.433 175 I N -0.863 119.653 120.570 -0.092 0.000 2.206 175 I HA -0.153 4.017 4.170 0.000 0.000 0.239 175 I C 1.015 177.142 176.117 0.016 0.000 1.078 175 I CA 0.926 62.219 61.300 -0.012 0.000 1.367 175 I CB -0.331 37.710 38.000 0.068 0.000 1.078 175 I HN 0.070 nan 8.210 nan 0.000 0.413 176 T N 1.750 116.351 114.554 0.078 0.000 4.578 176 T HA 0.123 4.473 4.350 0.000 0.000 0.236 176 T C 0.644 175.382 174.700 0.062 0.000 1.038 176 T CA 0.697 62.863 62.100 0.109 0.000 1.067 176 T CB -0.452 68.548 68.868 0.220 0.000 1.390 176 T HN 0.605 nan 8.240 nan 0.000 1.076 177 S N -0.064 115.630 115.700 -0.009 0.000 3.029 177 S HA 0.030 4.500 4.470 0.000 0.000 0.146 177 S C 0.288 174.842 174.600 -0.076 0.000 0.800 177 S CA -0.720 57.453 58.200 -0.044 0.000 1.619 177 S CB -0.192 62.815 63.200 -0.320 0.000 1.119 177 S HN 0.464 nan 8.310 nan 0.000 0.632 178 R N 2.673 123.130 120.500 -0.071 0.000 2.758 178 R HA 0.284 4.624 4.340 0.000 0.000 0.263 178 R C 0.189 176.471 176.300 -0.030 0.000 1.010 178 R CA 1.010 57.074 56.100 -0.060 0.000 1.114 178 R CB 0.104 30.379 30.300 -0.041 0.000 0.985 178 R HN 0.595 nan 8.270 nan 0.000 0.439 179 S N 2.482 118.164 115.700 -0.030 0.000 3.363 179 S HA 0.143 4.613 4.470 0.000 0.000 0.267 179 S C -0.931 173.662 174.600 -0.011 0.000 1.288 179 S CA -0.782 57.410 58.200 -0.014 0.000 0.948 179 S CB 0.007 63.199 63.200 -0.015 0.000 1.397 179 S HN 0.604 nan 8.310 nan 0.000 0.493 180 D N 0.532 120.928 120.400 -0.008 0.000 5.589 180 D HA -0.078 4.563 4.640 0.000 0.000 0.228 180 D C 0.210 176.504 176.300 -0.009 0.000 1.675 180 D CA 0.569 54.565 54.000 -0.007 0.000 1.397 180 D CB -1.040 39.756 40.800 -0.007 0.000 0.554 180 D HN 0.875 nan 8.370 nan 0.000 0.288 181 A N 3.354 126.169 122.820 -0.008 0.000 2.507 181 A HA 0.382 4.702 4.320 0.000 0.000 0.235 181 A C 0.776 178.356 177.584 -0.007 0.000 1.070 181 A CA 0.448 52.480 52.037 -0.008 0.000 0.768 181 A CB 0.574 19.567 19.000 -0.011 0.000 1.011 181 A HN 0.436 nan 8.150 nan 0.000 0.502 182 R N 1.358 121.855 120.500 -0.004 0.000 2.787 182 R HA 0.378 4.718 4.340 0.000 0.000 0.271 182 R C -2.020 174.280 176.300 -0.000 0.000 0.993 182 R CA -1.801 54.297 56.100 -0.003 0.000 0.993 182 R CB 0.745 31.044 30.300 -0.002 0.000 1.155 182 R HN 0.409 nan 8.270 nan 0.000 0.486 183 P HA -0.225 nan 4.420 nan 0.000 0.216 183 P C 0.843 178.147 177.300 0.006 0.000 1.150 183 P CA 1.231 64.332 63.100 0.001 0.000 0.837 183 P CB 0.257 31.957 31.700 0.001 0.000 0.786 184 E N -0.288 119.917 120.200 0.009 0.000 2.158 184 E HA -0.179 4.171 4.350 0.000 0.000 0.191 184 E C 1.232 177.849 176.600 0.027 0.000 0.982 184 E CA 1.073 57.482 56.400 0.015 0.000 0.823 184 E CB -1.264 28.444 29.700 0.012 0.000 0.766 184 E HN 0.157 nan 8.360 nan 0.000 0.468 185 D N 2.290 122.705 120.400 0.026 0.000 2.192 185 D HA -0.232 4.408 4.640 0.000 0.000 0.189 185 D C 1.968 178.313 176.300 0.075 0.000 1.007 185 D CA 2.690 56.718 54.000 0.047 0.000 0.859 185 D CB -0.487 40.331 40.800 0.030 0.000 0.936 185 D HN 0.392 nan 8.370 nan 0.000 0.447 186 A N 0.559 123.402 122.820 0.038 0.000 1.865 186 A HA -0.097 4.223 4.320 0.000 0.000 0.217 186 A C 2.322 179.951 177.584 0.075 0.000 1.191 186 A CA 2.884 54.940 52.037 0.031 0.000 0.623 186 A CB -1.073 17.926 19.000 -0.002 0.000 0.826 186 A HN 0.278 nan 8.150 nan 0.000 0.444 187 A N -0.143 122.710 122.820 0.056 0.000 1.877 187 A HA -0.197 4.123 4.320 0.000 0.000 0.216 187 A C 1.803 179.432 177.584 0.074 0.000 1.186 187 A CA 1.940 54.011 52.037 0.057 0.000 0.620 187 A CB -0.690 18.331 19.000 0.034 0.000 0.822 187 A HN 0.493 nan 8.150 nan 0.000 0.443 188 D N -0.948 119.495 120.400 0.072 0.000 2.092 188 D HA -0.166 4.474 4.640 0.000 0.000 0.193 188 D C 1.614 177.962 176.300 0.079 0.000 0.994 188 D CA 1.344 55.377 54.000 0.056 0.000 0.828 188 D CB -0.572 40.252 40.800 0.039 0.000 0.963 188 D HN 0.430 nan 8.370 nan 0.000 0.450 189 F N 1.388 121.328 119.950 -0.017 0.000 2.192 189 F HA -0.224 4.304 4.527 0.000 0.000 0.301 189 F C 2.177 177.971 175.800 -0.009 0.000 1.079 189 F CA 0.868 58.858 58.000 -0.016 0.000 1.303 189 F CB -0.101 38.891 39.000 -0.013 0.000 1.024 189 F HN -0.204 nan 8.300 nan 0.000 0.494 190 V N -0.031 120.035 119.914 0.253 0.000 2.307 190 V HA -0.302 3.818 4.120 0.000 0.000 0.245 190 V C 2.248 178.381 176.094 0.064 0.000 1.045 190 V CA 2.177 64.575 62.300 0.163 0.000 1.024 190 V CB -0.773 31.117 31.823 0.112 0.000 0.651 190 V HN 0.341 nan 8.190 nan 0.000 0.449 191 Q N -0.304 119.518 119.800 0.035 0.000 2.084 191 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 191 Q C 2.299 178.278 176.000 -0.035 0.000 0.978 191 Q CA 1.478 57.283 55.803 0.004 0.000 0.844 191 Q CB -0.264 28.476 28.738 0.003 0.000 0.898 191 Q HN 0.542 nan 8.270 nan 0.000 0.426 192 L N 0.125 121.297 121.223 -0.084 0.000 2.083 192 L HA -0.169 4.171 4.340 0.000 0.000 0.209 192 L C 2.476 179.253 176.870 -0.156 0.000 1.083 192 L CA 0.910 55.658 54.840 -0.153 0.000 0.752 192 L CB -0.564 41.337 42.059 -0.264 0.000 0.899 192 L HN 0.215 nan 8.230 nan 0.000 0.433 193 A N -0.016 122.718 122.820 -0.143 0.000 1.930 193 A HA -0.068 4.252 4.320 0.000 0.000 0.217 193 A C 2.531 180.101 177.584 -0.023 0.000 1.175 193 A CA 1.421 53.408 52.037 -0.082 0.000 0.627 193 A CB -0.549 18.451 19.000 0.001 0.000 0.815 193 A HN 0.373 nan 8.150 nan 0.000 0.443 194 A N -0.040 122.775 122.820 -0.008 0.000 1.972 194 A HA -0.040 4.280 4.320 0.000 0.000 0.219 194 A C 2.076 179.664 177.584 0.006 0.000 1.169 194 A CA 1.404 53.447 52.037 0.010 0.000 0.635 194 A CB -0.534 18.476 19.000 0.016 0.000 0.810 194 A HN 0.504 nan 8.150 nan 0.000 0.446 195 I N -0.491 120.071 120.570 -0.014 0.000 2.202 195 I HA -0.229 3.941 4.170 0.000 0.000 0.242 195 I C 2.246 178.363 176.117 -0.000 0.000 1.091 195 I CA 1.101 62.394 61.300 -0.011 0.000 1.368 195 I CB -0.346 37.632 38.000 -0.037 0.000 1.058 195 I HN 0.267 nan 8.210 nan 0.000 0.410 196 L N 0.571 121.781 121.223 -0.020 0.000 2.191 196 L HA -0.188 4.152 4.340 0.000 0.000 0.212 196 L C 1.957 178.855 176.870 0.046 0.000 1.103 196 L CA 0.983 55.826 54.840 0.004 0.000 0.769 196 L CB -0.640 41.402 42.059 -0.028 0.000 0.908 196 L HN 0.336 nan 8.230 nan 0.000 0.438 197 N N -0.735 117.988 118.700 0.038 0.000 2.446 197 N HA -0.075 4.665 4.740 0.000 0.000 0.179 197 N C 0.104 175.655 175.510 0.069 0.000 1.054 197 N CA 0.787 53.867 53.050 0.050 0.000 0.905 197 N CB 0.166 38.676 38.487 0.040 0.000 0.973 197 N HN 0.205 nan 8.380 nan 0.000 0.448 198 D N -0.236 120.208 120.400 0.074 0.000 2.823 198 D HA 0.125 4.766 4.640 0.000 0.000 0.255 198 D C 0.787 177.133 176.300 0.077 0.000 1.257 198 D CA -0.204 53.852 54.000 0.093 0.000 0.803 198 D CB 0.176 41.017 40.800 0.069 0.000 1.384 198 D HN -0.316 nan 8.370 nan 0.000 0.541 199 V N 1.399 121.380 119.914 0.112 0.000 2.407 199 V HA -0.154 3.966 4.120 0.000 0.000 0.248 199 V C 2.599 178.632 176.094 -0.102 0.000 1.055 199 V CA 2.090 64.414 62.300 0.040 0.000 1.049 199 V CB -0.664 31.227 31.823 0.114 0.000 0.662 199 V HN 0.543 nan 8.190 nan 0.000 0.455 200 A N 0.763 123.441 122.820 -0.235 0.000 1.902 200 A HA -0.087 4.234 4.320 0.000 0.000 0.217 200 A C 2.438 180.010 177.584 -0.020 0.000 1.181 200 A CA 1.954 53.770 52.037 -0.369 0.000 0.623 200 A CB -1.226 17.519 19.000 -0.426 0.000 0.818 200 A HN 0.516 nan 8.150 nan 0.000 0.443 201 G N -0.486 108.333 108.800 0.032 0.000 2.421 201 G HA2 -0.011 3.950 3.960 0.000 0.000 0.216 201 G HA3 -0.011 3.950 3.960 0.000 0.000 0.216 201 G C 1.752 176.695 174.900 0.071 0.000 1.171 201 G CA 1.474 46.619 45.100 0.074 0.000 0.775 201 G HN 0.823 nan 8.290 nan 0.000 0.543 202 A N 0.959 123.804 122.820 0.043 0.000 1.972 202 A HA 0.312 4.633 4.320 0.000 0.000 0.219 202 A C 2.663 180.284 177.584 0.060 0.000 1.169 202 A CA 2.115 54.176 52.037 0.039 0.000 0.635 202 A CB -0.540 18.471 19.000 0.018 0.000 0.810 202 A HN 0.815 nan 8.150 nan 0.000 0.446 203 A N -0.995 121.866 122.820 0.068 0.000 2.169 203 A HA 0.178 4.498 4.320 0.000 0.000 0.212 203 A C 2.062 179.848 177.584 0.336 0.000 1.153 203 A CA 1.265 53.385 52.037 0.139 0.000 0.756 203 A CB -0.368 18.621 19.000 -0.019 0.000 0.813 203 A HN 0.380 nan 8.150 nan 0.000 0.471 204 S N -0.249 115.634 115.700 0.304 0.000 2.527 204 S HA 0.086 4.556 4.470 0.000 0.000 0.222 204 S C 0.891 175.540 174.600 0.082 0.000 0.985 204 S CA 0.409 58.737 58.200 0.214 0.000 0.921 204 S CB -0.542 62.762 63.200 0.173 0.000 0.772 204 S HN 0.647 nan 8.310 nan 0.000 0.529 205 V N 2.182 122.144 119.914 0.080 0.000 2.740 205 V HA 0.582 4.702 4.120 0.000 0.000 0.303 205 V C 0.020 176.134 176.094 0.035 0.000 1.054 205 V CA -0.387 61.940 62.300 0.044 0.000 1.106 205 V CB 0.663 32.510 31.823 0.040 0.000 0.957 205 V HN 0.316 nan 8.190 nan 0.000 0.486 206 T N 2.164 116.728 114.554 0.017 0.000 2.916 206 T HA 0.687 5.037 4.350 0.000 0.000 0.298 206 T C -2.992 171.713 174.700 0.008 0.000 1.031 206 T CA -1.873 60.234 62.100 0.011 0.000 0.993 206 T CB 1.699 70.565 68.868 -0.003 0.000 1.045 206 T HN 0.661 nan 8.240 nan 0.000 0.454 207 P HA 0.203 nan 4.420 nan 0.000 0.271 207 P C 0.828 178.141 177.300 0.022 0.000 1.216 207 P CA -0.733 62.375 63.100 0.014 0.000 0.776 207 P CB 0.597 32.304 31.700 0.011 0.000 0.881 208 L N 4.144 125.386 121.223 0.032 0.000 2.083 208 L HA -0.147 4.193 4.340 0.000 0.000 0.209 208 L C 2.047 178.934 176.870 0.028 0.000 1.083 208 L CA 2.055 56.919 54.840 0.041 0.000 0.752 208 L CB -1.462 40.632 42.059 0.059 0.000 0.899 208 L HN 0.438 nan 8.230 nan 0.000 0.433 209 A N -1.251 121.583 122.820 0.023 0.000 2.131 209 A HA -0.161 4.159 4.320 0.000 0.000 0.220 209 A C 1.199 178.787 177.584 0.006 0.000 1.158 209 A CA 0.790 52.834 52.037 0.012 0.000 0.665 209 A CB -0.711 18.295 19.000 0.009 0.000 0.795 209 A HN 0.580 nan 8.150 nan 0.000 0.460 210 E N 1.199 121.405 120.200 0.010 0.000 1.996 210 E HA 0.199 4.549 4.350 0.000 0.000 0.280 210 E C -0.788 175.817 176.600 0.009 0.000 1.092 210 E CA -0.152 56.253 56.400 0.008 0.000 0.862 210 E CB 0.362 30.067 29.700 0.008 0.000 1.066 210 E HN 0.280 nan 8.360 nan 0.000 0.396 211 Q N 3.323 123.127 119.800 0.006 0.000 2.798 211 Q HA 0.181 4.521 4.340 0.000 0.000 0.250 211 Q C -2.124 173.880 176.000 0.006 0.000 1.006 211 Q CA -1.821 53.986 55.803 0.007 0.000 0.759 211 Q CB 1.297 30.038 28.738 0.005 0.000 1.201 211 Q HN 0.358 nan 8.270 nan 0.000 0.486 212 P HA -0.195 nan 4.420 nan 0.000 0.215 212 P C 1.368 178.670 177.300 0.004 0.000 1.157 212 P CA 0.804 63.907 63.100 0.005 0.000 0.874 212 P CB 0.431 32.134 31.700 0.005 0.000 0.790 213 L N -1.064 120.160 121.223 0.002 0.000 1.982 213 L HA -0.068 4.272 4.340 0.000 0.000 0.206 213 L C 2.276 179.143 176.870 -0.004 0.000 1.078 213 L CA 1.697 56.535 54.840 -0.003 0.000 0.749 213 L CB -1.397 40.657 42.059 -0.008 0.000 0.894 213 L HN -0.180 nan 8.230 nan 0.000 0.436 214 L N -0.239 120.981 121.223 -0.004 0.000 2.079 214 L HA -0.161 4.179 4.340 0.000 0.000 0.210 214 L C 2.484 179.366 176.870 0.019 0.000 1.081 214 L CA 1.323 56.165 54.840 0.003 0.000 0.752 214 L CB -1.473 40.590 42.059 0.006 0.000 0.896 214 L HN 0.553 nan 8.230 nan 0.000 0.433 215 G N -0.387 108.422 108.800 0.015 0.000 2.448 215 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 215 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 215 G C 1.771 176.683 174.900 0.020 0.000 1.127 215 G CA 0.686 45.797 45.100 0.018 0.000 0.766 215 G HN 0.320 nan 8.290 nan 0.000 0.552 216 R N -0.273 120.235 120.500 0.013 0.000 2.066 216 R HA 0.229 4.570 4.340 0.000 0.000 0.224 216 R C 2.374 178.681 176.300 0.011 0.000 1.122 216 R CA 0.417 56.523 56.100 0.010 0.000 0.974 216 R CB -0.337 29.965 30.300 0.004 0.000 0.871 216 R HN 0.327 nan 8.270 nan 0.000 0.435 217 L N 0.352 121.578 121.223 0.005 0.000 2.141 217 L HA 0.053 4.394 4.340 0.000 0.000 0.209 217 L C 1.275 178.155 176.870 0.017 0.000 1.094 217 L CA 0.887 55.725 54.840 -0.003 0.000 0.763 217 L CB 0.101 42.144 42.059 -0.026 0.000 0.908 217 L HN 0.304 nan 8.230 nan 0.000 0.437 218 I N -0.838 119.760 120.570 0.046 0.000 2.714 218 I HA 0.184 4.354 4.170 0.000 0.000 0.274 218 I C -2.087 174.115 176.117 0.142 0.000 1.261 218 I CA -1.652 59.709 61.300 0.101 0.000 1.008 218 I CB 1.458 39.536 38.000 0.129 0.000 1.289 218 I HN -0.178 nan 8.210 nan 0.000 0.529 219 P HA -0.230 nan 4.420 nan 0.000 0.218 219 P C 1.256 178.629 177.300 0.122 0.000 1.152 219 P CA 1.683 64.835 63.100 0.086 0.000 0.857 219 P CB -0.049 31.688 31.700 0.062 0.000 0.787 220 W N 0.216 121.488 121.300 -0.047 0.000 2.308 220 W HA -0.269 4.391 4.660 0.000 0.000 0.301 220 W C 2.065 178.554 176.519 -0.049 0.000 1.220 220 W CA 1.380 58.688 57.345 -0.063 0.000 1.240 220 W CB -1.084 28.319 29.460 -0.095 0.000 1.142 220 W HN -0.204 nan 8.180 nan 0.000 0.521 221 V N 1.303 121.254 119.914 0.061 0.000 2.380 221 V HA -0.313 3.807 4.120 0.000 0.000 0.251 221 V C 1.897 177.823 176.094 -0.280 0.000 1.063 221 V CA 2.449 64.620 62.300 -0.215 0.000 1.055 221 V CB -0.464 31.374 31.823 0.025 0.000 0.657 221 V HN 0.302 nan 8.190 nan 0.000 0.455 222 I N -0.591 119.893 120.570 -0.144 0.000 2.899 222 I HA 0.068 4.238 4.170 0.000 0.000 0.257 222 I C 2.220 178.274 176.117 -0.105 0.000 1.115 222 I CA 1.001 62.239 61.300 -0.103 0.000 1.451 222 I CB -1.562 36.412 38.000 -0.044 0.000 1.251 222 I HN 0.272 nan 8.210 nan 0.000 0.456 223 D N 0.853 121.205 120.400 -0.080 0.000 2.158 223 D HA -0.243 4.397 4.640 0.000 0.000 0.197 223 D C 2.054 178.338 176.300 -0.025 0.000 0.995 223 D CA 1.563 55.539 54.000 -0.041 0.000 0.846 223 D CB 0.078 40.877 40.800 -0.002 0.000 0.941 223 D HN 0.362 nan 8.370 nan 0.000 0.456 224 Q N 0.014 119.691 119.800 -0.205 0.000 2.514 224 Q HA 0.044 4.384 4.340 0.000 0.000 0.208 224 Q C 1.974 177.824 176.000 -0.250 0.000 0.938 224 Q CA 0.599 56.230 55.803 -0.288 0.000 0.892 224 Q CB -0.216 28.161 28.738 -0.602 0.000 1.050 224 Q HN 0.057 nan 8.270 nan 0.000 0.595 225 V N 0.438 120.054 119.914 -0.496 0.000 2.221 225 V HA -0.167 3.953 4.120 0.000 0.000 0.242 225 V C 2.328 178.551 176.094 0.215 0.000 1.041 225 V CA 1.770 64.034 62.300 -0.061 0.000 0.995 225 V CB -1.000 30.531 31.823 -0.487 0.000 0.635 225 V HN 0.271 nan 8.190 nan 0.000 0.448 226 V N 0.561 120.482 119.914 0.012 0.000 2.332 226 V HA -0.270 3.850 4.120 0.000 0.000 0.248 226 V C 2.142 178.308 176.094 0.119 0.000 1.055 226 V CA 2.270 64.622 62.300 0.086 0.000 1.038 226 V CB -0.817 31.007 31.823 0.002 0.000 0.651 226 V HN 0.554 nan 8.190 nan 0.000 0.450 227 D N -1.483 118.929 120.400 0.020 0.000 2.371 227 D HA -0.044 4.596 4.640 0.000 0.000 0.221 227 D C 0.886 177.047 176.300 -0.232 0.000 0.986 227 D CA 0.782 54.717 54.000 -0.109 0.000 0.899 227 D CB -0.198 40.473 40.800 -0.215 0.000 0.902 227 D HN 0.524 nan 8.370 nan 0.000 0.530 228 H N -0.092 119.077 119.070 0.165 0.000 2.340 228 H HA 0.144 4.701 4.556 0.001 0.000 0.233 228 H C -1.598 173.915 175.328 0.307 0.000 1.435 228 H CA -1.262 54.918 56.048 0.220 0.000 1.389 228 H CB 1.524 31.362 29.762 0.127 0.000 1.491 228 H HN 0.072 nan 8.280 nan 0.000 0.518 229 P HA -0.073 nan 4.420 nan 0.000 0.225 229 P C 0.069 177.341 177.300 -0.047 0.000 1.156 229 P CA 0.550 63.714 63.100 0.106 0.000 0.787 229 P CB 0.663 32.552 31.700 0.316 0.000 0.802 230 D N 0.677 121.144 120.400 0.110 0.000 2.264 230 D HA 0.062 4.702 4.640 0.000 0.000 0.249 230 D C 0.411 176.614 176.300 -0.161 0.000 1.070 230 D CA -0.225 53.779 54.000 0.008 0.000 0.912 230 D CB -0.016 40.867 40.800 0.139 0.000 1.193 230 D HN -0.145 nan 8.370 nan 0.000 0.427 231 N N 1.767 120.105 118.700 -0.604 0.000 3.178 231 N HA -0.010 4.731 4.740 0.000 0.000 0.300 231 N C -0.733 174.654 175.510 -0.205 0.000 1.242 231 N CA -0.363 52.182 53.050 -0.843 0.000 1.192 231 N CB -0.253 37.457 38.487 -1.294 0.000 1.463 231 N HN 0.285 nan 8.380 nan 0.000 0.539 232 D N -0.487 119.952 120.400 0.066 0.000 2.403 232 D HA 0.084 4.724 4.640 0.000 0.000 0.278 232 D C 0.953 177.283 176.300 0.050 0.000 1.230 232 D CA -0.187 53.853 54.000 0.066 0.000 1.062 232 D CB 0.260 41.131 40.800 0.118 0.000 1.119 232 D HN 0.003 nan 8.370 nan 0.000 0.557 233 E N -0.715 119.492 120.200 0.011 0.000 2.110 233 E HA -0.153 4.197 4.350 0.000 0.000 0.193 233 E C 2.085 178.643 176.600 -0.071 0.000 0.988 233 E CA 1.814 58.205 56.400 -0.016 0.000 0.804 233 E CB -0.553 29.138 29.700 -0.016 0.000 0.745 233 E HN 0.511 nan 8.360 nan 0.000 0.458 234 S N -0.617 114.962 115.700 -0.203 0.000 2.382 234 S HA -0.199 4.271 4.470 0.000 0.000 0.228 234 S C 1.927 176.330 174.600 -0.328 0.000 1.027 234 S CA 0.970 58.931 58.200 -0.397 0.000 0.991 234 S CB -0.811 61.847 63.200 -0.904 0.000 0.823 234 S HN 0.438 nan 8.310 nan 0.000 0.469 235 W N 1.806 123.057 121.300 -0.082 0.000 2.443 235 W HA 0.143 4.804 4.660 0.000 0.000 0.296 235 W C 2.982 179.500 176.519 -0.001 0.000 1.202 235 W CA 0.505 57.853 57.345 0.006 0.000 1.312 235 W CB -0.379 29.090 29.460 0.015 0.000 1.120 235 W HN 0.362 nan 8.180 nan 0.000 0.536 236 Q N 0.410 120.317 119.800 0.179 0.000 2.152 236 Q HA -0.223 4.118 4.340 0.000 0.000 0.206 236 Q C 2.035 178.084 176.000 0.081 0.000 0.985 236 Q CA 2.206 58.069 55.803 0.100 0.000 0.863 236 Q CB -0.326 28.440 28.738 0.047 0.000 0.904 236 Q HN 0.127 nan 8.270 nan 0.000 0.422 237 S N 0.872 116.602 115.700 0.050 0.000 2.383 237 S HA -0.157 4.313 4.470 0.000 0.000 0.229 237 S C 1.812 176.450 174.600 0.063 0.000 1.030 237 S CA 1.534 59.754 58.200 0.034 0.000 1.002 237 S CB -0.316 62.881 63.200 -0.005 0.000 0.829 237 S HN 0.673 nan 8.310 nan 0.000 0.467 238 I N -1.473 119.158 120.570 0.100 0.000 3.956 238 I HA 0.317 4.487 4.170 0.000 0.000 0.333 238 I C 0.647 176.839 176.117 0.124 0.000 1.302 238 I CA -0.313 61.060 61.300 0.120 0.000 1.122 238 I CB 0.139 38.235 38.000 0.160 0.000 1.013 238 I HN 0.009 nan 8.210 nan 0.000 0.405 239 S N 1.510 117.291 115.700 0.136 0.000 2.548 239 S HA 0.347 4.817 4.470 0.000 0.000 0.277 239 S C 0.812 175.468 174.600 0.093 0.000 1.315 239 S CA -0.526 57.746 58.200 0.121 0.000 1.050 239 S CB 0.922 64.198 63.200 0.127 0.000 0.918 239 S HN 0.330 nan 8.310 nan 0.000 0.497 240 L N 5.060 126.332 121.223 0.082 0.000 2.609 240 L HA 0.238 4.578 4.340 0.000 0.000 0.230 240 L C 1.661 178.533 176.870 0.004 0.000 1.087 240 L CA 0.458 55.330 54.840 0.053 0.000 0.874 240 L CB -2.005 40.100 42.059 0.076 0.000 1.114 240 L HN 0.728 nan 8.230 nan 0.000 0.488 241 F N 2.419 122.293 119.950 -0.125 0.000 2.063 241 F HA -0.290 4.237 4.527 0.001 0.000 0.298 241 F C 2.463 178.199 175.800 -0.107 0.000 1.105 241 F CA 1.977 59.880 58.000 -0.162 0.000 1.215 241 F CB 0.159 39.077 39.000 -0.136 0.000 0.972 241 F HN 0.115 nan 8.300 nan 0.000 0.483 242 E N -0.000 120.199 120.200 -0.000 0.000 2.267 242 E HA -0.185 4.165 4.350 0.000 0.000 0.197 242 E C 2.269 178.792 176.600 -0.128 0.000 0.998 242 E CA 1.039 57.400 56.400 -0.066 0.000 0.830 242 E CB -0.376 29.341 29.700 0.027 0.000 0.751 242 E HN 0.515 nan 8.360 nan 0.000 0.491 243 R N -0.276 120.160 120.500 -0.107 0.000 2.276 243 R HA 0.060 4.400 4.340 0.000 0.000 0.196 243 R C 1.914 178.143 176.300 -0.117 0.000 0.961 243 R CA -0.103 55.949 56.100 -0.080 0.000 1.024 243 R CB 0.062 30.349 30.300 -0.022 0.000 0.940 243 R HN 0.031 nan 8.270 nan 0.000 0.480 244 L N -0.269 120.813 121.223 -0.236 0.000 2.083 244 L HA -0.041 4.299 4.340 0.000 0.000 0.209 244 L C 2.321 179.066 176.870 -0.209 0.000 1.083 244 L CA 1.770 56.458 54.840 -0.253 0.000 0.752 244 L CB -0.923 40.828 42.059 -0.513 0.000 0.899 244 L HN 0.224 nan 8.230 nan 0.000 0.433 245 G N -1.328 107.321 108.800 -0.251 0.000 2.470 245 G HA2 -0.150 3.810 3.960 0.000 0.000 0.220 245 G HA3 -0.150 3.810 3.960 0.000 0.000 0.220 245 G C 1.474 176.315 174.900 -0.097 0.000 1.121 245 G CA 0.673 45.670 45.100 -0.173 0.000 0.766 245 G HN 0.517 nan 8.290 nan 0.000 0.553 246 G N -0.333 108.420 108.800 -0.078 0.000 3.088 246 G HA2 0.400 4.360 3.960 0.000 0.000 0.217 246 G HA3 0.400 4.360 3.960 0.000 0.000 0.217 246 G C 0.582 175.468 174.900 -0.024 0.000 1.159 246 G CA -0.432 44.642 45.100 -0.043 0.000 0.760 246 G HN 0.338 nan 8.290 nan 0.000 0.550 247 L N -0.118 121.094 121.223 -0.019 0.000 2.454 247 L HA 0.625 4.965 4.340 0.000 0.000 0.256 247 L C 0.694 177.567 176.870 0.005 0.000 1.136 247 L CA -0.661 54.185 54.840 0.010 0.000 0.804 247 L CB 1.721 43.811 42.059 0.052 0.000 1.181 247 L HN 0.015 nan 8.230 nan 0.000 0.469 248 A N 0.308 123.134 122.820 0.010 0.000 2.843 248 A HA 0.367 4.688 4.320 0.000 0.000 0.248 248 A C -0.171 177.407 177.584 -0.010 0.000 0.904 248 A CA -0.261 51.775 52.037 -0.002 0.000 1.091 248 A CB 0.179 19.175 19.000 -0.006 0.000 1.208 248 A HN 0.594 nan 8.150 nan 0.000 0.476 249 T N 2.873 117.433 114.554 0.009 0.000 2.749 249 T HA 0.479 4.830 4.350 0.000 0.000 0.287 249 T C -2.796 171.895 174.700 -0.016 0.000 0.970 249 T CA -1.029 61.065 62.100 -0.010 0.000 0.980 249 T CB 1.265 70.147 68.868 0.024 0.000 0.924 249 T HN 0.151 nan 8.240 nan 0.000 0.456 250 P HA 0.361 nan 4.420 nan 0.000 0.265 250 P C -1.272 176.152 177.300 0.206 0.000 1.193 250 P CA -0.166 62.877 63.100 -0.096 0.000 0.765 250 P CB 0.452 31.679 31.700 -0.789 0.000 0.823 251 A N 3.719 126.711 122.820 0.286 0.000 2.408 251 A HA 0.490 4.810 4.320 0.000 0.000 0.295 251 A C -1.175 176.333 177.584 -0.126 0.000 1.040 251 A CA -0.658 51.449 52.037 0.117 0.000 0.707 251 A CB 0.790 19.844 19.000 0.091 0.000 1.235 251 A HN 0.591 nan 8.150 nan 0.000 0.418 252 L N 4.426 125.306 121.223 -0.572 0.000 2.270 252 L HA 0.553 4.893 4.340 0.000 0.000 0.286 252 L C -1.200 175.472 176.870 -0.329 0.000 1.059 252 L CA -0.528 53.840 54.840 -0.787 0.000 0.839 252 L CB 0.033 41.192 42.059 -1.499 0.000 1.221 252 L HN 0.651 nan 8.230 nan 0.000 0.431 253 I N 3.957 124.459 120.570 -0.113 0.000 2.336 253 I HA 0.312 4.482 4.170 0.000 0.000 0.292 253 I C 0.066 176.166 176.117 -0.028 0.000 0.991 253 I CA -0.144 61.164 61.300 0.013 0.000 1.227 253 I CB 1.787 39.895 38.000 0.181 0.000 1.366 253 I HN 0.460 nan 8.210 nan 0.000 0.466 254 T N 5.152 119.721 114.554 0.025 0.000 2.856 254 T HA 0.828 5.178 4.350 0.000 0.000 0.283 254 T C -0.375 174.352 174.700 0.045 0.000 1.008 254 T CA -0.579 61.560 62.100 0.064 0.000 0.997 254 T CB 1.939 70.917 68.868 0.183 0.000 0.992 254 T HN 0.724 nan 8.240 nan 0.000 0.454 255 A N 1.293 124.111 122.820 -0.003 0.000 2.593 255 A HA 0.974 5.294 4.320 0.000 0.000 0.290 255 A C -0.522 176.999 177.584 -0.105 0.000 1.126 255 A CA -0.772 51.222 52.037 -0.072 0.000 0.695 255 A CB 1.624 20.481 19.000 -0.238 0.000 1.290 255 A HN 1.077 nan 8.150 nan 0.000 0.414 256 G N -1.627 107.106 108.800 -0.111 0.000 2.617 256 G HA2 0.476 4.436 3.960 0.000 0.000 0.306 256 G HA3 0.476 4.436 3.960 0.000 0.000 0.306 256 G C -0.137 174.614 174.900 -0.248 0.000 1.360 256 G CA -0.519 44.484 45.100 -0.162 0.000 0.983 256 G HN 0.786 nan 8.290 nan 0.000 0.496 257 W N 0.469 121.622 121.300 -0.245 0.000 2.364 257 W HA -0.053 4.607 4.660 0.000 0.000 0.281 257 W C 0.857 177.075 176.519 -0.501 0.000 1.219 257 W CA 0.247 57.347 57.345 -0.408 0.000 1.220 257 W CB 0.060 29.162 29.460 -0.597 0.000 1.127 257 W HN 0.589 nan 8.180 nan 0.000 0.556 258 Y N -0.531 119.881 120.300 0.188 0.000 2.681 258 Y HA 0.184 4.734 4.550 0.000 0.000 0.267 258 Y C -0.081 175.896 175.900 0.129 0.000 1.166 258 Y CA -0.773 57.417 58.100 0.151 0.000 1.209 258 Y CB -0.341 38.208 38.460 0.148 0.000 1.161 258 Y HN -0.271 nan 8.280 nan 0.000 0.534 259 D N -0.652 119.876 120.400 0.212 0.000 2.210 259 D HA 0.268 4.908 4.640 0.000 0.000 0.249 259 D C 1.610 178.003 176.300 0.155 0.000 1.078 259 D CA 0.190 54.332 54.000 0.236 0.000 0.875 259 D CB 1.482 42.446 40.800 0.273 0.000 1.175 259 D HN 0.320 nan 8.370 nan 0.000 0.440 260 G N 2.286 111.134 108.800 0.079 0.000 2.485 260 G HA2 -0.257 3.704 3.960 0.000 0.000 0.221 260 G HA3 -0.257 3.704 3.960 0.000 0.000 0.221 260 G C 0.921 175.675 174.900 -0.243 0.000 1.115 260 G CA 0.560 45.557 45.100 -0.171 0.000 0.751 260 G HN 0.555 nan 8.290 nan 0.000 0.567 261 F N -0.400 119.506 119.950 -0.072 0.000 2.765 261 F HA 0.275 4.802 4.527 0.001 0.000 0.302 261 F C 2.199 177.979 175.800 -0.034 0.000 1.111 261 F CA -0.564 57.394 58.000 -0.071 0.000 1.359 261 F CB -0.110 38.865 39.000 -0.043 0.000 1.097 261 F HN 0.005 nan 8.300 nan 0.000 0.577 262 V N 0.857 120.855 119.914 0.140 0.000 2.278 262 V HA -0.301 3.820 4.120 0.000 0.000 0.251 262 V C 2.470 178.592 176.094 0.048 0.000 1.062 262 V CA 2.631 64.966 62.300 0.060 0.000 1.038 262 V CB -0.932 30.912 31.823 0.036 0.000 0.646 262 V HN 0.437 nan 8.190 nan 0.000 0.447 263 G N -1.020 107.812 108.800 0.053 0.000 2.446 263 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 263 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 263 G C 1.456 176.377 174.900 0.036 0.000 1.168 263 G CA 0.918 46.052 45.100 0.056 0.000 0.771 263 G HN 0.557 nan 8.290 nan 0.000 0.551 264 E N 0.865 121.073 120.200 0.013 0.000 2.152 264 E HA -0.015 4.336 4.350 0.000 0.000 0.192 264 E C 2.928 179.565 176.600 0.062 0.000 0.983 264 E CA 0.739 57.135 56.400 -0.006 0.000 0.818 264 E CB -0.312 29.374 29.700 -0.023 0.000 0.758 264 E HN 0.356 nan 8.360 nan 0.000 0.467 265 S N 1.230 116.989 115.700 0.099 0.000 2.356 265 S HA -0.086 4.384 4.470 0.000 0.000 0.223 265 S C 2.160 176.822 174.600 0.103 0.000 1.032 265 S CA 0.811 59.083 58.200 0.120 0.000 1.005 265 S CB -0.249 62.997 63.200 0.076 0.000 0.867 265 S HN 0.188 nan 8.310 nan 0.000 0.449 266 L N 0.869 122.113 121.223 0.036 0.000 2.046 266 L HA -0.084 4.257 4.340 0.000 0.000 0.208 266 L C 2.687 179.709 176.870 0.252 0.000 1.077 266 L CA 1.221 56.080 54.840 0.032 0.000 0.747 266 L CB -0.444 41.596 42.059 -0.032 0.000 0.896 266 L HN 0.207 nan 8.230 nan 0.000 0.432 267 R N -0.314 120.316 120.500 0.217 0.000 2.120 267 R HA -0.144 4.197 4.340 0.000 0.000 0.234 267 R C 2.436 178.948 176.300 0.353 0.000 1.123 267 R CA 1.861 58.124 56.100 0.272 0.000 0.975 267 R CB -0.581 29.765 30.300 0.076 0.000 0.866 267 R HN 0.551 nan 8.270 nan 0.000 0.446 268 T N -1.347 113.347 114.554 0.233 0.000 2.821 268 T HA -0.161 4.190 4.350 0.000 0.000 0.267 268 T C 1.668 176.461 174.700 0.155 0.000 1.046 268 T CA 0.902 63.033 62.100 0.051 0.000 1.139 268 T CB -0.403 68.368 68.868 -0.163 0.000 0.871 268 T HN 0.209 nan 8.240 nan 0.000 0.454 269 F N 2.388 122.425 119.950 0.146 0.000 2.102 269 F HA -0.021 4.506 4.527 0.000 0.000 0.298 269 F C 2.229 178.129 175.800 0.166 0.000 1.105 269 F CA 0.984 59.079 58.000 0.158 0.000 1.239 269 F CB -0.564 38.508 39.000 0.119 0.000 0.991 269 F HN 0.007 nan 8.300 nan 0.000 0.474 270 V N 0.591 120.653 119.914 0.246 0.000 2.407 270 V HA -0.287 3.833 4.120 0.000 0.000 0.248 270 V C 2.715 178.801 176.094 -0.013 0.000 1.055 270 V CA 1.722 64.105 62.300 0.139 0.000 1.049 270 V CB -1.582 30.422 31.823 0.302 0.000 0.662 270 V HN 0.502 nan 8.190 nan 0.000 0.455 271 A N 0.145 122.952 122.820 -0.020 0.000 2.014 271 A HA -0.053 4.267 4.320 0.000 0.000 0.218 271 A C 2.172 179.651 177.584 -0.175 0.000 1.163 271 A CA 1.898 53.834 52.037 -0.169 0.000 0.652 271 A CB -0.293 18.445 19.000 -0.436 0.000 0.808 271 A HN 0.725 nan 8.150 nan 0.000 0.449 272 V N -2.397 117.432 119.914 -0.142 0.000 3.645 272 V HA 0.089 4.209 4.120 0.000 0.000 0.275 272 V C 1.759 177.768 176.094 -0.141 0.000 1.356 272 V CA 0.908 63.153 62.300 -0.092 0.000 1.051 272 V CB -0.414 31.439 31.823 0.050 0.000 0.828 272 V HN 0.618 nan 8.190 nan 0.000 0.441 273 K N 0.651 120.872 120.400 -0.298 0.000 2.211 273 K HA -0.172 4.148 4.320 0.000 0.000 0.204 273 K C 1.339 177.848 176.600 -0.151 0.000 1.047 273 K CA 2.089 58.167 56.287 -0.348 0.000 0.935 273 K CB -0.459 31.640 32.500 -0.668 0.000 0.728 273 K HN 0.429 nan 8.250 nan 0.000 0.452 274 D N 0.820 121.154 120.400 -0.109 0.000 2.234 274 D HA -0.045 4.595 4.640 0.000 0.000 0.205 274 D C 1.059 177.338 176.300 -0.036 0.000 0.962 274 D CA 0.694 54.661 54.000 -0.055 0.000 0.855 274 D CB 0.011 40.785 40.800 -0.044 0.000 0.951 274 D HN 0.325 nan 8.370 nan 0.000 0.500 275 N N -0.104 118.572 118.700 -0.041 0.000 2.254 275 N HA 0.228 4.968 4.740 0.000 0.000 0.190 275 N C 0.233 175.735 175.510 -0.014 0.000 1.107 275 N CA 0.110 53.146 53.050 -0.024 0.000 0.869 275 N CB 1.720 40.191 38.487 -0.027 0.000 0.983 275 N HN 0.032 nan 8.380 nan 0.000 0.487 276 A N -0.042 122.770 122.820 -0.014 0.000 2.581 276 A HA 0.318 4.638 4.320 0.000 0.000 0.290 276 A C -1.712 175.883 177.584 0.018 0.000 1.119 276 A CA -0.692 51.341 52.037 -0.006 0.000 0.670 276 A CB 0.731 19.718 19.000 -0.022 0.000 1.280 276 A HN -0.010 nan 8.150 nan 0.000 0.425 277 D N 0.860 121.285 120.400 0.042 0.000 2.348 277 D HA 0.490 5.130 4.640 0.000 0.000 0.259 277 D C 0.204 176.625 176.300 0.202 0.000 1.296 277 D CA 0.960 55.047 54.000 0.146 0.000 0.931 277 D CB 0.362 41.326 40.800 0.273 0.000 1.067 277 D HN 0.825 nan 8.370 nan 0.000 0.503 278 A N 4.747 127.663 122.820 0.159 0.000 2.325 278 A HA 0.817 5.137 4.320 0.000 0.000 0.333 278 A C -0.160 177.646 177.584 0.370 0.000 1.155 278 A CA -0.838 51.316 52.037 0.196 0.000 0.814 278 A CB 1.073 20.037 19.000 -0.061 0.000 1.206 278 A HN 0.517 nan 8.150 nan 0.000 0.482 279 R N 0.456 121.140 120.500 0.308 0.000 2.744 279 R HA 0.667 5.007 4.340 0.000 0.000 0.279 279 R C -1.922 174.409 176.300 0.052 0.000 0.977 279 R CA -0.766 55.435 56.100 0.168 0.000 0.906 279 R CB 1.733 31.974 30.300 -0.098 0.000 1.197 279 R HN 0.624 nan 8.270 nan 0.000 0.463 280 L N 1.149 122.268 121.223 -0.174 0.000 2.408 280 L HA 0.595 4.935 4.340 0.000 0.000 0.268 280 L C -1.480 175.243 176.870 -0.244 0.000 0.986 280 L CA -0.664 53.955 54.840 -0.369 0.000 0.820 280 L CB 2.373 43.860 42.059 -0.953 0.000 1.303 280 L HN 0.345 nan 8.230 nan 0.000 0.411 281 V N 5.253 125.058 119.914 -0.182 0.000 2.569 281 V HA 0.634 4.754 4.120 0.000 0.000 0.301 281 V C -0.999 175.036 176.094 -0.099 0.000 1.044 281 V CA -0.614 61.648 62.300 -0.063 0.000 0.874 281 V CB 2.064 33.895 31.823 0.013 0.000 1.002 281 V HN 0.499 nan 8.190 nan 0.000 0.424 282 V N 3.861 123.669 119.914 -0.177 0.000 2.443 282 V HA 0.811 4.931 4.120 0.000 0.000 0.293 282 V C 0.590 176.244 176.094 -0.732 0.000 1.021 282 V CA -0.215 61.727 62.300 -0.598 0.000 0.848 282 V CB 1.626 32.721 31.823 -1.213 0.000 0.998 282 V HN 0.928 nan 8.190 nan 0.000 0.424 283 G N 4.166 112.271 108.800 -1.157 0.000 2.521 283 G HA2 0.667 4.628 3.960 0.000 0.000 0.323 283 G HA3 0.667 4.628 3.960 0.000 0.000 0.323 283 G C -2.290 171.611 174.900 -1.665 0.000 1.211 283 G CA -1.537 42.369 45.100 -1.991 0.000 0.979 283 G HN 0.516 nan 8.290 nan 0.000 0.490 284 P HA 0.138 nan 4.420 nan 0.000 0.244 284 P C -0.554 176.546 177.300 -0.334 0.000 1.632 284 P CA -0.245 62.422 63.100 -0.721 0.000 0.944 284 P CB 0.060 30.985 31.700 -1.291 0.000 1.569 285 W N 1.091 122.392 121.300 0.001 0.000 2.359 285 W HA 0.376 5.036 4.660 0.000 0.000 0.344 285 W C 0.962 177.578 176.519 0.161 0.000 1.170 285 W CA -0.406 56.986 57.345 0.078 0.000 1.296 285 W CB 0.361 29.834 29.460 0.022 0.000 1.197 285 W HN -0.008 nan 8.180 nan 0.000 0.618 286 S N -1.122 114.807 115.700 0.381 0.000 2.739 286 S HA 0.202 4.673 4.470 0.000 0.000 0.306 286 S C 0.595 175.327 174.600 0.219 0.000 1.115 286 S CA -0.313 58.061 58.200 0.291 0.000 0.985 286 S CB 1.827 65.150 63.200 0.205 0.000 1.133 286 S HN 0.504 nan 8.310 nan 0.000 0.541 287 H N 1.328 120.450 119.070 0.087 0.000 2.352 287 H HA -0.067 4.489 4.556 0.000 0.000 0.299 287 H C 2.104 177.427 175.328 -0.008 0.000 1.097 287 H CA 2.711 58.781 56.048 0.037 0.000 1.311 287 H CB -0.125 29.637 29.762 -0.000 0.000 1.377 287 H HN 0.712 nan 8.280 nan 0.000 0.504 288 S N -1.409 114.329 115.700 0.063 0.000 2.556 288 S HA 0.039 4.510 4.470 0.000 0.000 0.216 288 S C 0.480 175.078 174.600 -0.003 0.000 0.970 288 S CA -0.197 58.008 58.200 0.009 0.000 0.912 288 S CB 0.207 63.425 63.200 0.030 0.000 0.790 288 S HN 0.309 nan 8.310 nan 0.000 0.504 289 N N 0.850 119.566 118.700 0.026 0.000 2.617 289 N HA 0.376 5.117 4.740 0.000 0.000 0.263 289 N C -0.847 174.716 175.510 0.089 0.000 1.074 289 N CA -0.496 52.581 53.050 0.045 0.000 0.841 289 N CB 1.147 39.675 38.487 0.068 0.000 1.221 289 N HN 0.101 nan 8.380 nan 0.000 0.529 290 L N 2.309 123.517 121.223 -0.024 0.000 2.769 290 L HA 0.225 4.565 4.340 0.000 0.000 0.240 290 L C 2.094 178.978 176.870 0.024 0.000 1.163 290 L CA 0.306 55.055 54.840 -0.151 0.000 0.962 290 L CB -0.043 41.701 42.059 -0.525 0.000 1.258 290 L HN 0.650 nan 8.230 nan 0.000 0.513 291 T N -4.386 110.232 114.554 0.107 0.000 3.023 291 T HA 0.130 4.480 4.350 0.000 0.000 0.266 291 T C 1.722 176.542 174.700 0.201 0.000 1.093 291 T CA 0.827 62.999 62.100 0.120 0.000 1.129 291 T CB -0.035 68.876 68.868 0.070 0.000 0.899 291 T HN 0.385 nan 8.240 nan 0.000 0.491 292 G N 1.410 110.388 108.800 0.297 0.000 2.176 292 G HA2 -0.243 3.717 3.960 0.000 0.000 0.253 292 G HA3 -0.243 3.717 3.960 0.000 0.000 0.253 292 G C 0.157 175.201 174.900 0.240 0.000 0.979 292 G CA 0.003 45.300 45.100 0.328 0.000 0.641 292 G HN 0.709 nan 8.290 nan 0.000 0.530 293 R N 0.649 121.226 120.500 0.128 0.000 2.393 293 R HA 0.592 4.933 4.340 0.000 0.000 0.310 293 R C -0.470 175.819 176.300 -0.018 0.000 0.968 293 R CA -0.639 55.472 56.100 0.019 0.000 0.867 293 R CB 0.964 31.272 30.300 0.013 0.000 1.124 293 R HN 0.235 nan 8.270 nan 0.000 0.450 294 N N 0.391 119.027 118.700 -0.106 0.000 2.405 294 N HA 0.212 4.952 4.740 0.000 0.000 0.285 294 N C 0.392 175.819 175.510 -0.138 0.000 1.262 294 N CA -0.330 52.647 53.050 -0.122 0.000 0.773 294 N CB 1.946 40.328 38.487 -0.175 0.000 1.490 294 N HN 0.509 nan 8.380 nan 0.000 0.486 295 A N 0.463 123.210 122.820 -0.122 0.000 1.903 295 A HA -0.191 4.129 4.320 0.000 0.000 0.219 295 A C 0.725 178.225 177.584 -0.140 0.000 1.191 295 A CA 1.841 53.810 52.037 -0.114 0.000 0.638 295 A CB -0.193 18.746 19.000 -0.102 0.000 0.823 295 A HN 0.699 nan 8.150 nan 0.000 0.451 296 D N -2.373 117.918 120.400 -0.182 0.000 2.571 296 D HA 0.291 4.932 4.640 0.000 0.000 0.239 296 D C -0.104 176.014 176.300 -0.304 0.000 1.267 296 D CA 0.013 53.883 54.000 -0.218 0.000 0.823 296 D CB 0.551 41.225 40.800 -0.209 0.000 1.056 296 D HN 0.268 nan 8.370 nan 0.000 0.494 297 R N 1.056 121.360 120.500 -0.327 0.000 2.523 297 R HA 0.236 4.576 4.340 0.000 0.000 0.278 297 R C -1.704 174.283 176.300 -0.521 0.000 1.150 297 R CA -0.319 55.502 56.100 -0.464 0.000 0.987 297 R CB 1.061 31.028 30.300 -0.555 0.000 1.232 297 R HN -0.273 nan 8.270 nan 0.000 0.424 298 K N 4.381 124.518 120.400 -0.438 0.000 2.323 298 K HA 0.368 4.688 4.320 0.000 0.000 0.259 298 K C -0.369 176.053 176.600 -0.296 0.000 0.947 298 K CA -0.543 55.559 56.287 -0.307 0.000 0.819 298 K CB 1.240 33.667 32.500 -0.122 0.000 1.109 298 K HN 0.377 nan 8.250 nan 0.000 0.429 299 F N 1.219 121.195 119.950 0.043 0.000 2.765 299 F HA 0.205 4.733 4.527 0.001 0.000 0.302 299 F C 1.156 177.040 175.800 0.140 0.000 1.111 299 F CA 0.033 58.092 58.000 0.097 0.000 1.359 299 F CB 0.368 39.334 39.000 -0.056 0.000 1.097 299 F HN 0.855 nan 8.300 nan 0.000 0.577 300 G N 1.026 109.959 108.800 0.222 0.000 2.663 300 G HA2 -0.189 3.772 3.960 0.000 0.000 0.686 300 G HA3 -0.189 3.772 3.960 0.000 0.000 0.686 300 G C 0.723 175.732 174.900 0.181 0.000 1.246 300 G CA -0.436 44.779 45.100 0.193 0.000 0.795 300 G HN 0.424 nan 8.290 nan 0.000 0.627 301 I N -1.379 119.281 120.570 0.150 0.000 2.454 301 I HA 0.121 4.291 4.170 0.000 0.000 0.254 301 I C 2.463 178.693 176.117 0.188 0.000 1.156 301 I CA 2.118 63.502 61.300 0.141 0.000 1.433 301 I CB -0.447 37.615 38.000 0.104 0.000 1.082 301 I HN 0.992 nan 8.210 nan 0.000 0.432 302 A N 1.336 124.303 122.820 0.244 0.000 2.121 302 A HA 0.174 4.495 4.320 0.000 0.000 0.218 302 A C 2.457 180.327 177.584 0.477 0.000 1.154 302 A CA 1.398 53.649 52.037 0.357 0.000 0.679 302 A CB -0.663 18.591 19.000 0.424 0.000 0.795 302 A HN 0.615 nan 8.150 nan 0.000 0.458 303 A N -0.855 122.109 122.820 0.241 0.000 2.123 303 A HA 0.205 4.526 4.320 0.000 0.000 0.214 303 A C 1.272 179.044 177.584 0.312 0.000 1.152 303 A CA 0.850 52.834 52.037 -0.089 0.000 0.728 303 A CB -0.719 17.959 19.000 -0.537 0.000 0.814 303 A HN 0.323 nan 8.150 nan 0.000 0.464 304 T N 0.439 115.177 114.554 0.307 0.000 2.934 304 T HA 0.070 4.420 4.350 0.000 0.000 0.306 304 T C -0.032 174.874 174.700 0.343 0.000 1.042 304 T CA 0.135 62.414 62.100 0.299 0.000 1.145 304 T CB -0.130 68.836 68.868 0.162 0.000 0.982 304 T HN 0.289 nan 8.240 nan 0.000 0.544 305 Y N 6.648 126.967 120.300 0.031 0.000 2.846 305 Y HA 0.077 4.627 4.550 0.000 0.000 0.352 305 Y C -1.534 174.318 175.900 -0.081 0.000 1.298 305 Y CA -2.090 55.851 58.100 -0.266 0.000 1.634 305 Y CB 0.277 38.296 38.460 -0.736 0.000 1.214 305 Y HN 0.378 nan 8.280 nan 0.000 0.529 306 P HA 0.031 nan 4.420 nan 0.000 0.237 306 P C 1.026 178.015 177.300 -0.519 0.000 1.788 306 P CA 0.299 63.174 63.100 -0.374 0.000 1.061 306 P CB -0.066 31.434 31.700 -0.334 0.000 1.967 307 I N 1.218 121.569 120.570 -0.365 0.000 2.264 307 I HA -0.319 3.851 4.170 0.000 0.000 0.248 307 I C 2.195 178.211 176.117 -0.168 0.000 1.111 307 I CA 1.679 62.861 61.300 -0.196 0.000 1.382 307 I CB 0.143 38.153 38.000 0.017 0.000 1.060 307 I HN 0.123 nan 8.210 nan 0.000 0.418 308 Q N 1.096 120.804 119.800 -0.154 0.000 2.083 308 Q HA -0.214 4.126 4.340 0.000 0.000 0.198 308 Q C 1.929 177.856 176.000 -0.121 0.000 0.969 308 Q CA 1.801 57.527 55.803 -0.129 0.000 0.838 308 Q CB -0.150 28.525 28.738 -0.106 0.000 0.900 308 Q HN 0.544 nan 8.270 nan 0.000 0.436 309 E N -0.485 119.622 120.200 -0.154 0.000 2.110 309 E HA -0.154 4.197 4.350 0.000 0.000 0.193 309 E C 1.797 178.322 176.600 -0.126 0.000 0.988 309 E CA 0.928 57.238 56.400 -0.150 0.000 0.804 309 E CB -0.168 29.402 29.700 -0.216 0.000 0.745 309 E HN 0.472 nan 8.360 nan 0.000 0.458 310 A N 0.716 123.435 122.820 -0.168 0.000 1.930 310 A HA -0.164 4.156 4.320 0.000 0.000 0.217 310 A C 2.342 179.974 177.584 0.078 0.000 1.175 310 A CA 1.757 53.760 52.037 -0.057 0.000 0.627 310 A CB -0.757 18.154 19.000 -0.149 0.000 0.815 310 A HN 0.171 nan 8.150 nan 0.000 0.443 311 T N -0.200 114.341 114.554 -0.022 0.000 2.746 311 T HA -0.119 4.231 4.350 0.000 0.000 0.267 311 T C 2.006 176.803 174.700 0.163 0.000 1.039 311 T CA 1.946 64.057 62.100 0.018 0.000 1.142 311 T CB -0.560 68.217 68.868 -0.152 0.000 0.866 311 T HN 0.539 nan 8.240 nan 0.000 0.444 312 T N 2.035 116.630 114.554 0.067 0.000 2.746 312 T HA -0.005 4.346 4.350 0.000 0.000 0.267 312 T C 1.943 176.695 174.700 0.086 0.000 1.039 312 T CA 1.056 63.200 62.100 0.075 0.000 1.142 312 T CB -0.301 68.575 68.868 0.013 0.000 0.866 312 T HN 0.286 nan 8.240 nan 0.000 0.444 313 M N -0.100 119.537 119.600 0.062 0.000 2.132 313 M HA -0.125 4.355 4.480 0.000 0.000 0.263 313 M C 2.131 178.428 176.300 -0.005 0.000 1.065 313 M CA 1.695 57.004 55.300 0.014 0.000 1.122 313 M CB -0.151 32.424 32.600 -0.041 0.000 1.365 313 M HN 0.269 nan 8.290 nan 0.000 0.411 314 H N -0.077 118.950 119.070 -0.072 0.000 2.353 314 H HA -0.132 4.425 4.556 0.000 0.000 0.300 314 H C 2.028 177.189 175.328 -0.280 0.000 1.090 314 H CA 1.918 57.820 56.048 -0.243 0.000 1.327 314 H CB -0.122 29.621 29.762 -0.033 0.000 1.383 314 H HN 0.332 nan 8.280 nan 0.000 0.508 315 K N 0.217 120.700 120.400 0.139 0.000 2.057 315 K HA -0.100 4.221 4.320 0.000 0.000 0.207 315 K C 2.299 178.952 176.600 0.088 0.000 1.049 315 K CA 1.022 57.372 56.287 0.104 0.000 0.931 315 K CB -0.100 32.573 32.500 0.289 0.000 0.714 315 K HN 0.265 nan 8.250 nan 0.000 0.440 316 A N 0.645 123.508 122.820 0.071 0.000 1.902 316 A HA -0.170 4.150 4.320 0.000 0.000 0.217 316 A C 1.998 179.596 177.584 0.024 0.000 1.181 316 A CA 1.361 53.428 52.037 0.050 0.000 0.623 316 A CB -0.813 18.210 19.000 0.038 0.000 0.818 316 A HN 0.511 nan 8.150 nan 0.000 0.443 317 F N -0.337 119.491 119.950 -0.204 0.000 2.102 317 F HA -0.125 4.402 4.527 0.001 0.000 0.298 317 F C 1.813 177.519 175.800 -0.158 0.000 1.105 317 F CA 1.564 59.412 58.000 -0.254 0.000 1.239 317 F CB -0.334 38.378 39.000 -0.481 0.000 0.991 317 F HN 0.210 nan 8.300 nan 0.000 0.474 318 F N 0.722 120.667 119.950 -0.009 0.000 2.259 318 F HA -0.102 4.425 4.527 0.000 0.000 0.298 318 F C 2.301 178.121 175.800 0.034 0.000 1.088 318 F CA 1.077 59.031 58.000 -0.077 0.000 1.358 318 F CB -1.213 37.628 39.000 -0.265 0.000 1.040 318 F HN -0.036 nan 8.300 nan 0.000 0.505 319 D N -0.153 120.382 120.400 0.225 0.000 2.144 319 D HA -0.165 4.475 4.640 0.000 0.000 0.199 319 D C 2.360 178.656 176.300 -0.007 0.000 0.984 319 D CA 1.001 55.096 54.000 0.158 0.000 0.834 319 D CB -0.237 40.636 40.800 0.121 0.000 0.955 319 D HN 0.068 nan 8.370 nan 0.000 0.465 320 R N 0.193 120.603 120.500 -0.149 0.000 2.066 320 R HA -0.087 4.253 4.340 0.000 0.000 0.232 320 R C 1.917 177.968 176.300 -0.416 0.000 1.131 320 R CA 1.545 57.440 56.100 -0.342 0.000 0.955 320 R CB -0.435 29.525 30.300 -0.567 0.000 0.851 320 R HN 0.295 nan 8.270 nan 0.000 0.432 321 H N -1.257 117.713 119.070 -0.168 0.000 2.547 321 H HA 0.167 4.723 4.556 0.000 0.000 0.272 321 H C 1.050 176.348 175.328 -0.050 0.000 0.971 321 H CA 0.824 56.778 56.048 -0.156 0.000 1.245 321 H CB 0.583 30.148 29.762 -0.329 0.000 1.440 321 H HN 0.153 nan 8.280 nan 0.000 0.540 322 L N -0.414 120.876 121.223 0.111 0.000 2.575 322 L HA 0.174 4.514 4.340 0.000 0.000 0.228 322 L C 1.616 178.511 176.870 0.042 0.000 1.075 322 L CA 0.704 55.607 54.840 0.105 0.000 0.867 322 L CB 0.441 42.616 42.059 0.194 0.000 1.097 322 L HN -0.037 nan 8.230 nan 0.000 0.485 323 R N -0.764 119.752 120.500 0.026 0.000 2.543 323 R HA 0.383 4.724 4.340 0.000 0.000 0.323 323 R C 1.017 177.302 176.300 -0.026 0.000 1.002 323 R CA 0.518 56.605 56.100 -0.022 0.000 1.106 323 R CB 0.628 30.904 30.300 -0.039 0.000 1.280 323 R HN 0.177 nan 8.270 nan 0.000 0.549 324 G N 2.109 110.892 108.800 -0.028 0.000 2.187 324 G HA2 -0.331 3.630 3.960 0.000 0.000 0.261 324 G HA3 -0.331 3.630 3.960 0.000 0.000 0.261 324 G C -0.163 174.709 174.900 -0.047 0.000 1.000 324 G CA 0.253 45.331 45.100 -0.037 0.000 0.718 324 G HN 0.449 nan 8.290 nan 0.000 0.519 325 E N 1.097 121.264 120.200 -0.054 0.000 1.791 325 E HA 0.261 4.611 4.350 0.000 0.000 0.263 325 E C 1.928 178.484 176.600 -0.073 0.000 1.213 325 E CA 0.319 56.691 56.400 -0.048 0.000 0.991 325 E CB 0.105 29.788 29.700 -0.029 0.000 1.068 325 E HN 0.536 nan 8.360 nan 0.000 0.417 326 T N -0.190 114.328 114.554 -0.059 0.000 2.822 326 T HA -0.198 4.152 4.350 0.000 0.000 0.270 326 T C 0.850 175.519 174.700 -0.052 0.000 1.064 326 T CA 1.141 63.205 62.100 -0.060 0.000 1.131 326 T CB 0.086 68.934 68.868 -0.034 0.000 0.858 326 T HN 0.233 nan 8.240 nan 0.000 0.483 327 D N 0.654 121.032 120.400 -0.037 0.000 2.402 327 D HA 0.459 5.100 4.640 0.000 0.000 0.216 327 D C 1.975 178.261 176.300 -0.023 0.000 1.128 327 D CA 0.477 54.463 54.000 -0.024 0.000 0.833 327 D CB 0.220 41.013 40.800 -0.011 0.000 0.971 327 D HN 0.541 nan 8.370 nan 0.000 0.503 328 A N 0.553 123.350 122.820 -0.038 0.000 1.978 328 A HA -0.106 4.214 4.320 0.000 0.000 0.220 328 A C 1.867 179.441 177.584 -0.016 0.000 1.170 328 A CA 0.861 52.882 52.037 -0.026 0.000 0.636 328 A CB -0.379 18.596 19.000 -0.042 0.000 0.810 328 A HN 0.253 nan 8.150 nan 0.000 0.448 329 L N -0.118 121.091 121.223 -0.024 0.000 2.728 329 L HA 0.270 4.610 4.340 0.000 0.000 0.235 329 L C 0.943 177.822 176.870 0.014 0.000 1.197 329 L CA -0.407 54.437 54.840 0.006 0.000 0.992 329 L CB -0.197 41.877 42.059 0.025 0.000 1.263 329 L HN 0.351 nan 8.230 nan 0.000 0.484 330 A N -0.066 122.758 122.820 0.007 0.000 2.520 330 A HA 0.426 4.746 4.320 0.000 0.000 0.245 330 A C 1.463 179.055 177.584 0.013 0.000 1.072 330 A CA 0.739 52.783 52.037 0.011 0.000 0.761 330 A CB -0.030 18.974 19.000 0.007 0.000 1.004 330 A HN 0.616 nan 8.150 nan 0.000 0.499 331 G N 1.094 109.904 108.800 0.017 0.000 2.205 331 G HA2 -0.203 3.757 3.960 0.000 0.000 0.261 331 G HA3 -0.203 3.757 3.960 0.000 0.000 0.261 331 G C 0.265 175.174 174.900 0.015 0.000 0.980 331 G CA 0.224 45.334 45.100 0.016 0.000 0.632 331 G HN 1.459 nan 8.290 nan 0.000 0.533 332 V N 3.956 123.881 119.914 0.019 0.000 2.461 332 V HA 0.448 4.569 4.120 0.000 0.000 0.275 332 V C -0.615 175.497 176.094 0.030 0.000 1.047 332 V CA -1.072 61.238 62.300 0.016 0.000 0.955 332 V CB 1.165 32.999 31.823 0.018 0.000 0.988 332 V HN 0.348 nan 8.190 nan 0.000 0.471 333 P HA 0.181 nan 4.420 nan 0.000 0.272 333 P C 0.185 177.520 177.300 0.058 0.000 1.230 333 P CA -0.455 62.671 63.100 0.044 0.000 0.788 333 P CB 1.477 33.200 31.700 0.037 0.000 0.949 334 K N 0.785 121.240 120.400 0.092 0.000 2.103 334 K HA 0.066 4.386 4.320 0.000 0.000 0.204 334 K C 0.314 176.970 176.600 0.093 0.000 1.052 334 K CA 1.165 57.537 56.287 0.141 0.000 0.945 334 K CB -0.206 32.414 32.500 0.200 0.000 0.722 334 K HN 0.325 nan 8.250 nan 0.000 0.443 335 V N 0.586 120.534 119.914 0.056 0.000 2.709 335 V HA 0.463 4.583 4.120 0.000 0.000 0.308 335 V C -1.247 174.863 176.094 0.028 0.000 1.062 335 V CA -1.057 61.231 62.300 -0.020 0.000 0.901 335 V CB 1.828 33.656 31.823 0.009 0.000 1.003 335 V HN 0.101 nan 8.190 nan 0.000 0.425 336 R N 4.231 124.741 120.500 0.017 0.000 2.473 336 R HA 0.733 5.073 4.340 0.000 0.000 0.303 336 R C -1.977 174.460 176.300 0.228 0.000 1.002 336 R CA -0.209 55.961 56.100 0.117 0.000 0.884 336 R CB 0.959 31.284 30.300 0.042 0.000 1.173 336 R HN 0.724 nan 8.270 nan 0.000 0.464 337 L N 4.189 125.580 121.223 0.279 0.000 2.346 337 L HA 0.581 4.921 4.340 0.000 0.000 0.274 337 L C -0.631 176.309 176.870 0.117 0.000 1.007 337 L CA -1.157 53.819 54.840 0.226 0.000 0.818 337 L CB 1.741 43.947 42.059 0.246 0.000 1.284 337 L HN 0.525 nan 8.230 nan 0.000 0.424 338 F N 2.926 122.621 119.950 -0.424 0.000 2.390 338 F HA 0.405 4.932 4.527 0.000 0.000 0.361 338 F C -0.151 175.466 175.800 -0.305 0.000 1.124 338 F CA -0.554 56.907 58.000 -0.897 0.000 1.149 338 F CB 0.913 38.955 39.000 -1.597 0.000 1.160 338 F HN 0.041 nan 8.300 nan 0.000 0.501 339 V N 8.294 127.792 119.914 -0.692 0.000 2.389 339 V HA 0.137 4.257 4.120 0.000 0.000 0.264 339 V C 0.616 176.337 176.094 -0.622 0.000 1.049 339 V CA -0.424 61.591 62.300 -0.474 0.000 0.932 339 V CB 0.421 32.049 31.823 -0.325 0.000 1.011 339 V HN 0.775 nan 8.190 nan 0.000 0.475 340 M N 3.422 122.782 119.600 -0.401 0.000 2.198 340 M HA 0.473 4.954 4.480 0.000 0.000 0.315 340 M C 1.546 177.722 176.300 -0.206 0.000 1.134 340 M CA 1.239 56.423 55.300 -0.193 0.000 1.171 340 M CB 0.514 33.080 32.600 -0.056 0.000 1.413 340 M HN 0.875 nan 8.290 nan 0.000 0.467 341 G N 1.149 109.905 108.800 -0.073 0.000 4.677 341 G HA2 -0.302 3.659 3.960 0.000 0.000 0.215 341 G HA3 -0.302 3.659 3.960 0.000 0.000 0.215 341 G C 0.607 175.421 174.900 -0.144 0.000 1.506 341 G CA 0.439 45.427 45.100 -0.187 0.000 1.016 341 G HN 0.847 nan 8.290 nan 0.000 0.653 342 I N -1.348 119.110 120.570 -0.187 0.000 2.928 342 I HA 0.285 4.455 4.170 0.000 0.000 0.266 342 I C 0.341 176.364 176.117 -0.156 0.000 1.234 342 I CA 0.960 62.169 61.300 -0.152 0.000 1.483 342 I CB -0.359 37.544 38.000 -0.162 0.000 1.097 342 I HN 0.160 nan 8.210 nan 0.000 0.455 343 D N 2.976 123.233 120.400 -0.238 0.000 2.803 343 D HA -0.169 4.471 4.640 0.000 0.000 0.233 343 D C -0.339 175.648 176.300 -0.522 0.000 1.182 343 D CA 1.051 54.866 54.000 -0.309 0.000 0.726 343 D CB -0.878 40.047 40.800 0.208 0.000 0.987 343 D HN 0.725 nan 8.370 nan 0.000 0.412 344 E N -0.966 118.708 120.200 -0.877 0.000 2.356 344 E HA 0.421 4.771 4.350 0.000 0.000 0.275 344 E C -0.363 175.871 176.600 -0.610 0.000 0.904 344 E CA -0.878 55.214 56.400 -0.513 0.000 0.757 344 E CB 1.131 30.709 29.700 -0.204 0.000 1.232 344 E HN 0.064 nan 8.360 nan 0.000 0.442 345 W N 1.774 122.971 121.300 -0.170 0.000 2.218 345 W HA 0.349 5.009 4.660 0.001 0.000 0.326 345 W C 0.520 177.003 176.519 -0.059 0.000 1.276 345 W CA 0.050 57.368 57.345 -0.043 0.000 1.210 345 W CB 0.827 30.338 29.460 0.086 0.000 1.143 345 W HN 0.180 nan 8.180 nan 0.000 0.563 346 R N 2.009 122.649 120.500 0.233 0.000 2.584 346 R HA 0.177 4.517 4.340 0.000 0.000 0.276 346 R C -1.438 174.949 176.300 0.146 0.000 1.046 346 R CA -0.751 55.428 56.100 0.130 0.000 0.906 346 R CB 1.273 31.598 30.300 0.041 0.000 1.215 346 R HN 0.350 nan 8.270 nan 0.000 0.449 347 D N 2.459 122.923 120.400 0.106 0.000 2.255 347 D HA 0.254 4.895 4.640 0.000 0.000 0.249 347 D C -0.281 176.070 176.300 0.086 0.000 1.078 347 D CA 0.078 54.132 54.000 0.091 0.000 0.896 347 D CB 1.440 42.280 40.800 0.066 0.000 1.194 347 D HN 0.317 nan 8.370 nan 0.000 0.429 348 E N -0.347 119.910 120.200 0.095 0.000 2.369 348 E HA 0.236 4.586 4.350 0.000 0.000 0.270 348 E C 0.502 177.167 176.600 0.108 0.000 0.909 348 E CA -0.493 55.969 56.400 0.103 0.000 0.775 348 E CB 1.748 31.531 29.700 0.139 0.000 1.270 348 E HN 0.406 nan 8.360 nan 0.000 0.445 349 T N -2.854 111.766 114.554 0.110 0.000 3.081 349 T HA 0.168 4.518 4.350 0.000 0.000 0.250 349 T C 0.187 174.991 174.700 0.172 0.000 1.100 349 T CA 0.280 62.453 62.100 0.121 0.000 1.038 349 T CB 0.258 69.182 68.868 0.093 0.000 0.962 349 T HN 0.287 nan 8.240 nan 0.000 0.516 350 D N -1.196 119.324 120.400 0.200 0.000 2.755 350 D HA 0.314 4.954 4.640 0.000 0.000 0.277 350 D C -2.348 174.157 176.300 0.342 0.000 1.261 350 D CA -0.680 53.497 54.000 0.296 0.000 0.759 350 D CB 1.077 42.008 40.800 0.219 0.000 1.279 350 D HN 0.144 nan 8.370 nan 0.000 0.420 351 W N 3.133 124.608 121.300 0.291 0.000 2.968 351 W HA 0.463 5.123 4.660 0.000 0.000 0.337 351 W C -2.959 173.749 176.519 0.316 0.000 1.060 351 W CA -1.693 55.785 57.345 0.222 0.000 1.240 351 W CB 1.530 31.014 29.460 0.040 0.000 1.370 351 W HN 0.208 nan 8.180 nan 0.000 0.459 352 P HA -0.027 nan 4.420 nan 0.000 0.269 352 P C -0.162 176.981 177.300 -0.263 0.000 1.217 352 P CA 0.024 62.697 63.100 -0.713 0.000 0.783 352 P CB 0.698 32.169 31.700 -0.382 0.000 0.898 353 L N 4.108 125.160 121.223 -0.285 0.000 2.456 353 L HA 0.205 4.546 4.340 0.000 0.000 0.272 353 L C -1.900 174.926 176.870 -0.072 0.000 1.189 353 L CA -0.807 53.981 54.840 -0.088 0.000 0.846 353 L CB -0.934 41.077 42.059 -0.081 0.000 1.111 353 L HN 0.328 nan 8.230 nan 0.000 0.475 354 P HA 0.144 nan 4.420 nan 0.000 0.272 354 P C -0.577 176.702 177.300 -0.035 0.000 1.223 354 P CA -0.003 63.092 63.100 -0.008 0.000 0.784 354 P CB 0.403 32.114 31.700 0.019 0.000 0.923 355 D N -1.535 118.845 120.400 -0.034 0.000 2.981 355 D HA -0.120 4.521 4.640 0.000 0.000 0.223 355 D C -0.587 175.652 176.300 -0.102 0.000 1.151 355 D CA 1.111 55.082 54.000 -0.048 0.000 0.827 355 D CB -2.408 38.371 40.800 -0.034 0.000 1.101 355 D HN 0.296 nan 8.370 nan 0.000 0.426 356 T N 0.508 114.964 114.554 -0.164 0.000 2.814 356 T HA 0.492 4.842 4.350 0.000 0.000 0.297 356 T C 0.642 175.123 174.700 -0.364 0.000 0.956 356 T CA 0.233 62.133 62.100 -0.334 0.000 1.123 356 T CB 1.279 69.818 68.868 -0.549 0.000 0.902 356 T HN 0.289 nan 8.240 nan 0.000 0.528 357 A N 4.323 126.961 122.820 -0.304 0.000 2.444 357 A HA 0.458 4.778 4.320 0.000 0.000 0.332 357 A C -0.554 176.907 177.584 -0.205 0.000 1.430 357 A CA -0.610 51.322 52.037 -0.176 0.000 0.975 357 A CB -0.289 18.664 19.000 -0.079 0.000 1.147 357 A HN 0.839 nan 8.150 nan 0.000 0.524 358 Y N 2.141 122.438 120.300 -0.005 0.000 2.680 358 Y HA 0.176 4.727 4.550 0.000 0.000 0.356 358 Y C 0.820 176.734 175.900 0.023 0.000 1.122 358 Y CA 0.711 58.816 58.100 0.008 0.000 1.509 358 Y CB 0.098 38.558 38.460 -0.000 0.000 1.245 358 Y HN 0.534 nan 8.280 nan 0.000 0.513 359 T N 6.451 121.091 114.554 0.144 0.000 2.758 359 T HA 0.321 4.671 4.350 0.000 0.000 0.285 359 T C -2.621 172.162 174.700 0.138 0.000 0.981 359 T CA -1.935 60.230 62.100 0.110 0.000 0.965 359 T CB 1.286 70.229 68.868 0.125 0.000 0.927 359 T HN 0.182 nan 8.240 nan 0.000 0.448 360 P HA 0.381 nan 4.420 nan 0.000 0.281 360 P C -0.995 176.057 177.300 -0.414 0.000 1.252 360 P CA -0.441 62.501 63.100 -0.264 0.000 0.778 360 P CB 0.257 31.507 31.700 -0.751 0.000 0.895 361 F N 2.921 122.659 119.950 -0.354 0.000 2.382 361 F HA 0.353 4.880 4.527 0.000 0.000 0.361 361 F C 0.039 175.688 175.800 -0.252 0.000 1.109 361 F CA -0.465 57.393 58.000 -0.237 0.000 1.031 361 F CB 0.581 39.508 39.000 -0.122 0.000 1.234 361 F HN 0.256 nan 8.300 nan 0.000 0.445 362 Y N 3.246 123.616 120.300 0.116 0.000 2.346 362 Y HA 0.358 4.908 4.550 0.000 0.000 0.330 362 Y C 0.031 175.966 175.900 0.059 0.000 1.178 362 Y CA -0.671 57.488 58.100 0.098 0.000 1.331 362 Y CB 0.438 38.915 38.460 0.027 0.000 1.253 362 Y HN 0.266 nan 8.280 nan 0.000 0.529 363 L N 2.542 123.843 121.223 0.130 0.000 2.397 363 L HA 0.594 4.934 4.340 0.000 0.000 0.271 363 L C 0.744 177.675 176.870 0.102 0.000 1.148 363 L CA 0.505 55.307 54.840 -0.063 0.000 0.825 363 L CB 0.470 42.253 42.059 -0.461 0.000 1.117 363 L HN 0.892 nan 8.230 nan 0.000 0.456 364 G N 0.076 109.000 108.800 0.207 0.000 2.570 364 G HA2 0.706 4.666 3.960 0.000 0.000 0.310 364 G HA3 0.706 4.666 3.960 0.000 0.000 0.310 364 G C -0.738 174.295 174.900 0.221 0.000 1.266 364 G CA 0.009 45.222 45.100 0.188 0.000 0.825 364 G HN 0.973 nan 8.290 nan 0.000 0.483 365 G N -1.591 107.289 108.800 0.134 0.000 2.484 365 G HA2 0.457 4.417 3.960 0.000 0.000 0.685 365 G HA3 0.457 4.417 3.960 0.000 0.000 0.685 365 G C -0.473 174.467 174.900 0.067 0.000 1.294 365 G CA 0.135 45.295 45.100 0.099 0.000 0.879 365 G HN 1.413 nan 8.290 nan 0.000 0.646 366 S N 0.468 116.194 115.700 0.042 0.000 2.562 366 S HA 0.806 5.276 4.470 0.000 0.000 0.275 366 S C 1.135 175.748 174.600 0.021 0.000 1.281 366 S CA 1.218 59.436 58.200 0.029 0.000 1.045 366 S CB 1.020 64.232 63.200 0.020 0.000 0.962 366 S HN 2.564 nan 8.310 nan 0.000 0.503 367 G N 1.627 110.439 108.800 0.020 0.000 2.645 367 G HA2 0.054 4.014 3.960 0.000 0.000 0.246 367 G HA3 0.054 4.014 3.960 0.000 0.000 0.246 367 G C -0.067 174.842 174.900 0.014 0.000 1.322 367 G CA -0.483 44.625 45.100 0.013 0.000 0.898 367 G HN 1.316 nan 8.290 nan 0.000 0.573 368 A N -0.474 122.349 122.820 0.005 0.000 2.388 368 A HA 0.796 5.116 4.320 0.000 0.000 0.257 368 A C 1.342 178.901 177.584 -0.041 0.000 1.095 368 A CA 0.925 52.963 52.037 0.002 0.000 0.791 368 A CB 1.019 20.024 19.000 0.009 0.000 1.029 368 A HN 2.450 nan 8.150 nan 0.000 0.489 369 A N 2.732 125.506 122.820 -0.077 0.000 2.275 369 A HA 0.181 4.501 4.320 0.000 0.000 0.212 369 A C 0.584 178.028 177.584 -0.234 0.000 1.201 369 A CA -0.208 51.682 52.037 -0.246 0.000 0.843 369 A CB -0.649 18.028 19.000 -0.539 0.000 0.873 369 A HN 0.840 nan 8.150 nan 0.000 0.492 370 N N 1.950 120.588 118.700 -0.103 0.000 2.412 370 N HA 0.335 5.075 4.740 0.000 0.000 0.254 370 N C 0.349 175.802 175.510 -0.094 0.000 1.232 370 N CA 1.536 54.542 53.050 -0.074 0.000 0.880 370 N CB -0.003 38.482 38.487 -0.003 0.000 1.076 370 N HN 0.569 nan 8.380 nan 0.000 0.458 371 T N -1.750 112.745 114.554 -0.099 0.000 0.541 371 T HA -0.237 4.113 4.350 0.000 0.000 0.774 371 T C 0.930 175.538 174.700 -0.155 0.000 0.992 371 T CA 0.328 62.374 62.100 -0.091 0.000 4.077 371 T CB -1.224 67.619 68.868 -0.041 0.000 2.303 371 T HN 0.761 nan 8.240 nan 0.000 0.398 372 S N -0.269 115.317 115.700 -0.190 0.000 2.442 372 S HA -0.032 4.438 4.470 0.000 0.000 0.236 372 S C 1.843 176.358 174.600 -0.143 0.000 1.007 372 S CA 1.459 59.490 58.200 -0.282 0.000 0.965 372 S CB -0.905 62.039 63.200 -0.426 0.000 0.773 372 S HN 2.005 nan 8.310 nan 0.000 0.504 373 T N -1.406 113.098 114.554 -0.083 0.000 3.188 373 T HA 0.471 4.821 4.350 0.000 0.000 0.250 373 T C 0.965 175.633 174.700 -0.055 0.000 1.077 373 T CA -0.018 62.053 62.100 -0.049 0.000 0.967 373 T CB -0.093 68.763 68.868 -0.020 0.000 1.006 373 T HN 0.412 nan 8.240 nan 0.000 0.552 374 G N 0.452 109.200 108.800 -0.086 0.000 2.553 374 G HA2 0.469 4.429 3.960 0.000 0.000 0.278 374 G HA3 0.469 4.429 3.960 0.000 0.000 0.278 374 G C 0.779 175.633 174.900 -0.076 0.000 1.349 374 G CA -0.411 44.638 45.100 -0.085 0.000 1.037 374 G HN 0.372 nan 8.290 nan 0.000 0.508 375 G N -1.076 107.684 108.800 -0.067 0.000 3.605 375 G HA2 0.452 4.412 3.960 0.000 0.000 0.277 375 G HA3 0.452 4.412 3.960 0.000 0.000 0.277 375 G C 0.727 175.609 174.900 -0.031 0.000 1.093 375 G CA 0.413 45.492 45.100 -0.035 0.000 0.821 375 G HN 0.843 nan 8.290 nan 0.000 0.532 376 G N 0.954 109.683 108.800 -0.118 0.000 2.340 376 G HA2 0.421 4.381 3.960 0.000 0.000 0.245 376 G HA3 0.421 4.381 3.960 0.000 0.000 0.245 376 G C 0.339 175.285 174.900 0.076 0.000 1.294 376 G CA 0.724 45.755 45.100 -0.116 0.000 0.896 376 G HN 0.469 nan 8.290 nan 0.000 0.522 377 T N -0.325 114.373 114.554 0.239 0.000 2.916 377 T HA 0.729 5.079 4.350 0.000 0.000 0.292 377 T C -0.436 174.416 174.700 0.254 0.000 1.064 377 T CA -0.987 61.233 62.100 0.199 0.000 1.011 377 T CB 1.895 70.844 68.868 0.135 0.000 1.152 377 T HN 0.323 nan 8.240 nan 0.000 0.510 378 L N 1.517 122.859 121.223 0.198 0.000 2.385 378 L HA 0.773 5.114 4.340 0.000 0.000 0.273 378 L C -0.350 176.643 176.870 0.206 0.000 0.990 378 L CA -0.722 54.246 54.840 0.213 0.000 0.821 378 L CB 2.125 44.307 42.059 0.205 0.000 1.279 378 L HN 0.944 nan 8.230 nan 0.000 0.412 379 S N -0.488 115.324 115.700 0.187 0.000 2.550 379 S HA 0.306 4.776 4.470 0.000 0.000 0.270 379 S C 0.542 175.111 174.600 -0.051 0.000 1.145 379 S CA -0.020 58.227 58.200 0.078 0.000 0.852 379 S CB 1.776 65.020 63.200 0.073 0.000 1.119 379 S HN 0.739 nan 8.310 nan 0.000 0.465 380 T N 0.465 114.860 114.554 -0.265 0.000 3.118 380 T HA 0.198 4.549 4.350 0.000 0.000 0.260 380 T C 0.599 175.305 174.700 0.009 0.000 1.139 380 T CA 0.265 62.151 62.100 -0.357 0.000 1.085 380 T CB -0.235 68.348 68.868 -0.475 0.000 0.934 380 T HN 0.332 nan 8.240 nan 0.000 0.518 381 S N 0.995 116.716 115.700 0.035 0.000 2.541 381 S HA 0.558 5.029 4.470 0.000 0.000 0.283 381 S C 0.240 174.778 174.600 -0.103 0.000 1.196 381 S CA -0.844 57.342 58.200 -0.023 0.000 1.062 381 S CB 0.883 64.053 63.200 -0.050 0.000 1.009 381 S HN 0.361 nan 8.310 nan 0.000 0.502 382 I N 2.459 122.772 120.570 -0.428 0.000 2.648 382 I HA 0.003 4.174 4.170 0.000 0.000 0.284 382 I C 0.716 176.665 176.117 -0.281 0.000 1.153 382 I CA 0.049 60.932 61.300 -0.694 0.000 1.426 382 I CB 0.479 38.060 38.000 -0.697 0.000 1.381 382 I HN 0.507 nan 8.210 nan 0.000 0.571 383 S N 4.345 119.935 115.700 -0.183 0.000 2.549 383 S HA 0.091 4.562 4.470 0.000 0.000 0.283 383 S C 1.173 175.722 174.600 -0.085 0.000 1.320 383 S CA -0.227 57.932 58.200 -0.068 0.000 1.058 383 S CB 1.319 64.519 63.200 0.000 0.000 0.882 383 S HN 0.904 nan 8.310 nan 0.000 0.498 384 G N 1.423 110.190 108.800 -0.055 0.000 2.744 384 G HA2 0.081 4.042 3.960 0.000 0.000 0.211 384 G HA3 0.081 4.042 3.960 0.000 0.000 0.211 384 G C 0.464 175.344 174.900 -0.033 0.000 1.146 384 G CA 0.099 45.167 45.100 -0.053 0.000 0.787 384 G HN 0.716 nan 8.290 nan 0.000 0.534 385 T N -0.764 113.781 114.554 -0.014 0.000 2.749 385 T HA 0.500 4.850 4.350 0.000 0.000 0.287 385 T C -0.622 174.084 174.700 0.010 0.000 0.970 385 T CA -0.682 61.417 62.100 -0.000 0.000 0.980 385 T CB 2.469 71.343 68.868 0.009 0.000 0.924 385 T HN -0.038 nan 8.240 nan 0.000 0.456 386 E N 2.677 122.885 120.200 0.013 0.000 2.159 386 E HA 0.386 4.736 4.350 0.000 0.000 0.272 386 E C -0.446 176.174 176.600 0.032 0.000 1.138 386 E CA 0.162 56.582 56.400 0.034 0.000 0.915 386 E CB 0.002 29.729 29.700 0.044 0.000 1.028 386 E HN 0.728 nan 8.360 nan 0.000 0.423 387 S N 1.755 117.476 115.700 0.035 0.000 2.851 387 S HA 0.974 5.444 4.470 0.000 0.000 0.317 387 S C -1.183 173.410 174.600 -0.012 0.000 1.144 387 S CA -0.412 57.800 58.200 0.019 0.000 0.862 387 S CB 1.783 65.004 63.200 0.035 0.000 1.259 387 S HN 0.587 nan 8.310 nan 0.000 0.564 388 A N 0.844 123.642 122.820 -0.038 0.000 2.577 388 A HA 0.620 4.941 4.320 0.000 0.000 0.297 388 A C -2.367 175.192 177.584 -0.041 0.000 1.060 388 A CA -0.746 51.216 52.037 -0.125 0.000 0.697 388 A CB 1.104 19.898 19.000 -0.344 0.000 1.281 388 A HN 0.609 nan 8.150 nan 0.000 0.402 389 D N 1.730 122.137 120.400 0.013 0.000 2.278 389 D HA 0.609 5.249 4.640 0.000 0.000 0.245 389 D C -0.587 175.775 176.300 0.103 0.000 1.052 389 D CA 0.252 54.311 54.000 0.099 0.000 0.834 389 D CB 2.059 42.981 40.800 0.204 0.000 1.194 389 D HN 0.425 nan 8.370 nan 0.000 0.481 390 T N 1.722 116.335 114.554 0.098 0.000 2.885 390 T HA 0.624 4.974 4.350 0.000 0.000 0.285 390 T C -0.675 174.128 174.700 0.172 0.000 1.019 390 T CA -0.678 61.451 62.100 0.048 0.000 1.010 390 T CB 1.103 69.967 68.868 -0.007 0.000 1.022 390 T HN 0.383 nan 8.240 nan 0.000 0.466 391 Y N 0.221 120.573 120.300 0.086 0.000 2.656 391 Y HA 0.772 5.322 4.550 0.000 0.000 0.334 391 Y C -1.966 173.991 175.900 0.096 0.000 1.179 391 Y CA -1.808 56.343 58.100 0.085 0.000 1.050 391 Y CB 0.793 39.310 38.460 0.095 0.000 1.308 391 Y HN 0.530 nan 8.280 nan 0.000 0.456 392 L N 3.356 124.745 121.223 0.276 0.000 2.272 392 L HA 0.476 4.816 4.340 0.000 0.000 0.289 392 L C -1.389 175.665 176.870 0.307 0.000 1.032 392 L CA -0.728 54.219 54.840 0.178 0.000 0.810 392 L CB 0.651 42.769 42.059 0.099 0.000 1.205 392 L HN 0.692 nan 8.230 nan 0.000 0.422 393 Y N 4.873 125.253 120.300 0.133 0.000 2.353 393 Y HA 0.497 5.047 4.550 0.000 0.000 0.340 393 Y C -1.041 174.884 175.900 0.041 0.000 0.972 393 Y CA -1.214 56.962 58.100 0.127 0.000 1.157 393 Y CB 0.821 39.351 38.460 0.117 0.000 1.157 393 Y HN 0.697 nan 8.280 nan 0.000 0.495 394 D N 8.664 128.868 120.400 -0.327 0.000 2.414 394 D HA 0.359 4.999 4.640 0.000 0.000 0.232 394 D C -2.208 173.797 176.300 -0.491 0.000 1.070 394 D CA -2.621 51.124 54.000 -0.425 0.000 0.839 394 D CB 2.352 43.061 40.800 -0.152 0.000 1.079 394 D HN 0.314 nan 8.370 nan 0.000 0.521 395 P HA -0.154 nan 4.420 nan 0.000 0.217 395 P C 0.922 178.111 177.300 -0.185 0.000 1.148 395 P CA 1.406 64.308 63.100 -0.330 0.000 0.834 395 P CB 0.276 31.816 31.700 -0.266 0.000 0.783 396 A N -1.209 121.510 122.820 -0.168 0.000 2.121 396 A HA -0.119 4.201 4.320 0.000 0.000 0.218 396 A C 1.135 178.668 177.584 -0.085 0.000 1.154 396 A CA 1.369 53.335 52.037 -0.119 0.000 0.679 396 A CB -0.726 18.220 19.000 -0.090 0.000 0.795 396 A HN 0.125 nan 8.150 nan 0.000 0.458 397 D N -0.719 119.648 120.400 -0.056 0.000 2.552 397 D HA 0.273 4.913 4.640 0.000 0.000 0.285 397 D C -2.850 173.493 176.300 0.073 0.000 1.206 397 D CA -1.872 52.130 54.000 0.004 0.000 0.826 397 D CB 1.188 41.997 40.800 0.016 0.000 1.179 397 D HN 0.147 nan 8.370 nan 0.000 0.508 398 P HA 0.172 nan 4.420 nan 0.000 0.276 398 P C -0.135 177.257 177.300 0.154 0.000 1.252 398 P CA -0.566 62.635 63.100 0.169 0.000 0.802 398 P CB 1.336 33.090 31.700 0.090 0.000 1.035 399 V N 3.186 123.186 119.914 0.143 0.000 2.521 399 V HA 0.102 4.223 4.120 0.000 0.000 0.286 399 V C -1.903 174.286 176.094 0.158 0.000 1.034 399 V CA -1.150 61.221 62.300 0.118 0.000 1.045 399 V CB 0.007 31.875 31.823 0.076 0.000 0.974 399 V HN 0.574 nan 8.190 nan 0.000 0.480 400 P HA 0.161 nan 4.420 nan 0.000 0.271 400 P C -0.374 177.003 177.300 0.129 0.000 1.216 400 P CA 0.012 63.208 63.100 0.161 0.000 0.776 400 P CB 0.475 32.257 31.700 0.137 0.000 0.881 401 S N 2.451 118.223 115.700 0.120 0.000 2.549 401 S HA 0.322 4.793 4.470 0.000 0.000 0.279 401 S C -0.014 174.640 174.600 0.091 0.000 1.321 401 S CA -0.175 58.080 58.200 0.091 0.000 1.054 401 S CB -0.244 62.988 63.200 0.054 0.000 0.899 401 S HN 0.290 nan 8.310 nan 0.000 0.497 402 L N 3.035 124.294 121.223 0.060 0.000 2.471 402 L HA 0.531 4.872 4.340 0.000 0.000 0.263 402 L C 0.767 177.648 176.870 0.019 0.000 0.985 402 L CA -0.392 54.464 54.840 0.027 0.000 0.868 402 L CB 0.876 42.945 42.059 0.016 0.000 1.203 402 L HN 0.996 nan 8.230 nan 0.000 0.429 403 G N 2.408 111.205 108.800 -0.006 0.000 2.528 403 G HA2 0.106 4.066 3.960 0.000 0.000 0.262 403 G HA3 0.106 4.066 3.960 0.000 0.000 0.262 403 G C 0.439 175.378 174.900 0.065 0.000 1.200 403 G CA -0.134 44.961 45.100 -0.008 0.000 0.951 403 G HN 1.477 nan 8.290 nan 0.000 0.566 404 G N -2.619 106.281 108.800 0.167 0.000 2.512 404 G HA2 0.211 4.171 3.960 0.000 0.000 0.254 404 G HA3 0.211 4.171 3.960 0.000 0.000 0.254 404 G C 1.106 176.164 174.900 0.263 0.000 1.199 404 G CA 2.142 47.398 45.100 0.260 0.000 0.941 404 G HN 2.688 nan 8.290 nan 0.000 0.569 405 T N -0.546 114.085 114.554 0.129 0.000 3.264 405 T HA 0.616 4.966 4.350 0.000 0.000 0.257 405 T C 1.025 175.707 174.700 -0.030 0.000 0.976 405 T CA 0.136 62.280 62.100 0.074 0.000 0.908 405 T CB -0.258 68.624 68.868 0.023 0.000 1.082 405 T HN 0.643 nan 8.240 nan 0.000 0.567 406 L N 1.191 122.399 121.223 -0.025 0.000 2.514 406 L HA 0.181 4.521 4.340 0.000 0.000 0.280 406 L C 1.345 178.159 176.870 -0.093 0.000 1.223 406 L CA -0.082 54.720 54.840 -0.063 0.000 0.864 406 L CB 0.568 42.615 42.059 -0.020 0.000 1.118 406 L HN 0.302 nan 8.230 nan 0.000 0.494 407 L N 1.714 122.836 121.223 -0.168 0.000 2.349 407 L HA 0.069 4.410 4.340 0.000 0.000 0.200 407 L C 1.277 177.826 176.870 -0.535 0.000 1.064 407 L CA 0.651 55.254 54.840 -0.395 0.000 0.821 407 L CB 0.048 41.748 42.059 -0.598 0.000 1.027 407 L HN 0.524 nan 8.230 nan 0.000 0.476 408 F N -2.184 117.813 119.950 0.078 0.000 2.592 408 F HA 0.145 4.673 4.527 0.000 0.000 0.280 408 F C 1.067 176.916 175.800 0.082 0.000 1.083 408 F CA -0.485 57.573 58.000 0.096 0.000 1.365 408 F CB -0.124 38.951 39.000 0.126 0.000 1.100 408 F HN -0.050 nan 8.300 nan 0.000 0.633 409 H N 2.153 121.305 119.070 0.137 0.000 2.934 409 H HA 0.210 4.766 4.556 0.000 0.000 0.273 409 H C 0.099 175.434 175.328 0.012 0.000 1.121 409 H CA -0.605 55.472 56.048 0.048 0.000 1.451 409 H CB -0.570 29.178 29.762 -0.024 0.000 1.469 409 H HN 0.032 nan 8.280 nan 0.000 0.476 410 N N 3.378 121.877 118.700 -0.335 0.000 2.686 410 N HA -0.161 4.580 4.740 0.000 0.000 0.261 410 N C 0.656 176.079 175.510 -0.145 0.000 1.001 410 N CA 1.132 54.014 53.050 -0.280 0.000 0.764 410 N CB -1.005 37.219 38.487 -0.438 0.000 0.898 410 N HN 0.901 nan 8.380 nan 0.000 0.544 411 G N -0.045 108.712 108.800 -0.071 0.000 3.448 411 G HA2 0.027 3.987 3.960 0.000 0.000 0.261 411 G HA3 0.027 3.987 3.960 0.000 0.000 0.261 411 G C 0.540 175.431 174.900 -0.015 0.000 1.173 411 G CA 0.059 45.133 45.100 -0.042 0.000 0.835 411 G HN 0.421 nan 8.290 nan 0.000 0.534 412 D N -1.053 119.329 120.400 -0.029 0.000 2.559 412 D HA 0.095 4.735 4.640 0.000 0.000 0.234 412 D C 0.331 176.609 176.300 -0.037 0.000 1.226 412 D CA -0.754 53.238 54.000 -0.013 0.000 0.830 412 D CB 0.141 40.934 40.800 -0.012 0.000 1.028 412 D HN 0.088 nan 8.370 nan 0.000 0.492 413 N N -0.058 118.603 118.700 -0.065 0.000 2.636 413 N HA 0.220 4.960 4.740 0.000 0.000 0.287 413 N C 1.358 176.762 175.510 -0.177 0.000 1.817 413 N CA 0.070 53.053 53.050 -0.113 0.000 0.842 413 N CB 0.605 39.028 38.487 -0.107 0.000 1.353 413 N HN 0.039 nan 8.380 nan 0.000 0.500 414 G N 1.294 109.950 108.800 -0.241 0.000 2.529 414 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 414 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 414 G C -1.294 173.136 174.900 -0.784 0.000 1.177 414 G CA 0.640 45.451 45.100 -0.482 0.000 0.773 414 G HN 0.439 nan 8.290 nan 0.000 0.573 415 P HA 0.405 nan 4.420 nan 0.000 0.220 415 P C -0.199 176.966 177.300 -0.225 0.000 1.806 415 P CA -0.113 62.721 63.100 -0.443 0.000 0.976 415 P CB 0.060 31.605 31.700 -0.259 0.000 1.952 416 A N 1.602 124.326 122.820 -0.159 0.000 2.425 416 A HA 0.191 4.511 4.320 0.000 0.000 0.249 416 A C 0.341 177.871 177.584 -0.090 0.000 1.084 416 A CA -0.254 51.712 52.037 -0.117 0.000 0.781 416 A CB -0.005 18.947 19.000 -0.081 0.000 1.019 416 A HN 0.221 nan 8.150 nan 0.000 0.490 417 D N 1.041 121.370 120.400 -0.118 0.000 2.383 417 D HA 0.109 4.749 4.640 0.000 0.000 0.252 417 D C 0.694 176.920 176.300 -0.123 0.000 1.166 417 D CA 0.089 54.014 54.000 -0.124 0.000 0.879 417 D CB 0.827 41.539 40.800 -0.146 0.000 1.164 417 D HN 0.409 nan 8.370 nan 0.000 0.462 418 Q N 3.322 123.036 119.800 -0.143 0.000 2.403 418 Q HA 0.063 4.403 4.340 0.000 0.000 0.203 418 Q C 1.606 177.293 176.000 -0.523 0.000 0.932 418 Q CA 0.116 55.797 55.803 -0.204 0.000 0.945 418 Q CB 0.156 28.866 28.738 -0.046 0.000 1.045 418 Q HN 0.545 nan 8.270 nan 0.000 0.511 419 R N 0.692 120.862 120.500 -0.550 0.000 2.139 419 R HA -0.154 4.186 4.340 0.000 0.000 0.243 419 R C -0.679 175.455 176.300 -0.277 0.000 1.145 419 R CA 1.266 57.027 56.100 -0.565 0.000 0.976 419 R CB -1.088 29.064 30.300 -0.248 0.000 0.866 419 R HN 0.217 nan 8.270 nan 0.000 0.449 420 P HA -0.134 nan 4.420 nan 0.000 0.223 420 P C 0.919 178.201 177.300 -0.030 0.000 1.144 420 P CA 1.210 64.267 63.100 -0.072 0.000 0.783 420 P CB -0.026 31.642 31.700 -0.052 0.000 0.771 421 I N -7.137 113.412 120.570 -0.035 0.000 4.154 421 I HA 0.197 4.367 4.170 0.000 0.000 0.334 421 I C 1.413 177.607 176.117 0.129 0.000 1.371 421 I CA -0.097 61.230 61.300 0.045 0.000 1.110 421 I CB -0.712 37.322 38.000 0.057 0.000 1.085 421 I HN -0.083 nan 8.210 nan 0.000 0.398 422 H N 2.389 121.463 119.070 0.008 0.000 2.521 422 H HA -0.098 4.458 4.556 0.000 0.000 0.286 422 H C 1.296 176.621 175.328 -0.005 0.000 1.034 422 H CA 1.115 57.163 56.048 0.000 0.000 1.278 422 H CB 0.284 30.048 29.762 0.003 0.000 1.386 422 H HN 0.609 nan 8.280 nan 0.000 0.567 423 D N 0.625 121.097 120.400 0.121 0.000 2.349 423 D HA -0.060 4.580 4.640 0.000 0.000 0.215 423 D C 0.472 176.798 176.300 0.044 0.000 1.016 423 D CA -0.020 54.019 54.000 0.065 0.000 0.870 423 D CB -0.021 40.810 40.800 0.051 0.000 0.917 423 D HN 0.197 nan 8.370 nan 0.000 0.524 424 R N 1.357 121.885 120.500 0.047 0.000 2.442 424 R HA 0.037 4.377 4.340 0.000 0.000 0.291 424 R C 0.976 177.282 176.300 0.010 0.000 1.069 424 R CA -0.131 55.988 56.100 0.032 0.000 1.022 424 R CB 0.963 31.283 30.300 0.034 0.000 0.976 424 R HN 0.071 nan 8.270 nan 0.000 0.443 425 D N 2.006 122.420 120.400 0.022 0.000 2.269 425 D HA -0.133 4.508 4.640 0.000 0.000 0.208 425 D C 0.369 176.671 176.300 0.003 0.000 0.963 425 D CA 0.957 54.973 54.000 0.026 0.000 0.864 425 D CB 0.351 41.187 40.800 0.059 0.000 0.936 425 D HN 0.587 nan 8.370 nan 0.000 0.505 426 D N -0.011 120.369 120.400 -0.034 0.000 2.325 426 D HA -0.019 4.621 4.640 0.000 0.000 0.225 426 D C 0.135 176.172 176.300 -0.437 0.000 1.096 426 D CA -0.122 53.741 54.000 -0.229 0.000 0.844 426 D CB 0.192 40.993 40.800 0.002 0.000 0.925 426 D HN -0.063 nan 8.370 nan 0.000 0.513 427 V N 1.599 121.377 119.914 -0.226 0.000 2.326 427 V HA 0.224 4.344 4.120 0.000 0.000 0.281 427 V C -0.468 175.532 176.094 -0.156 0.000 1.015 427 V CA -0.863 61.337 62.300 -0.167 0.000 0.823 427 V CB 1.190 32.990 31.823 -0.039 0.000 1.009 427 V HN 0.004 nan 8.190 nan 0.000 0.436 428 L N 5.122 126.250 121.223 -0.158 0.000 2.305 428 L HA 0.491 4.831 4.340 0.000 0.000 0.281 428 L C 0.041 176.804 176.870 -0.179 0.000 1.085 428 L CA 0.326 55.075 54.840 -0.152 0.000 0.813 428 L CB 1.038 43.108 42.059 0.019 0.000 1.157 428 L HN 0.607 nan 8.230 nan 0.000 0.436 429 C N 3.097 122.164 119.300 -0.388 0.000 2.455 429 C HA 0.666 5.126 4.460 0.000 0.000 0.320 429 C C -0.793 173.890 174.990 -0.511 0.000 1.226 429 C CA -1.005 57.831 59.018 -0.304 0.000 1.569 429 C CB 0.541 28.118 27.740 -0.272 0.000 2.200 429 C HN 0.575 nan 8.230 nan 0.000 0.491 430 Y N 1.148 121.449 120.300 0.002 0.000 2.346 430 Y HA 0.559 5.109 4.550 0.000 0.000 0.332 430 Y C 0.326 176.237 175.900 0.018 0.000 0.985 430 Y CA -0.298 57.815 58.100 0.023 0.000 1.112 430 Y CB 1.626 40.116 38.460 0.050 0.000 1.170 430 Y HN 0.633 nan 8.280 nan 0.000 0.447 431 S N 0.829 116.609 115.700 0.133 0.000 2.568 431 S HA 0.590 5.060 4.470 0.000 0.000 0.293 431 S C -0.141 174.512 174.600 0.088 0.000 1.089 431 S CA -1.058 57.194 58.200 0.086 0.000 0.945 431 S CB 1.680 64.908 63.200 0.047 0.000 1.077 431 S HN 0.683 nan 8.310 nan 0.000 0.485 432 T N -0.175 114.417 114.554 0.063 0.000 2.732 432 T HA 0.400 4.750 4.350 0.000 0.000 0.287 432 T C 0.153 174.888 174.700 0.057 0.000 0.993 432 T CA -0.751 61.394 62.100 0.075 0.000 0.966 432 T CB 0.093 68.994 68.868 0.055 0.000 1.047 432 T HN 0.638 nan 8.240 nan 0.000 0.527 433 E N 0.248 120.482 120.200 0.056 0.000 2.376 433 E HA 0.239 4.589 4.350 0.000 0.000 0.254 433 E C -0.264 176.362 176.600 0.044 0.000 1.213 433 E CA -0.867 55.560 56.400 0.045 0.000 0.945 433 E CB -0.001 29.723 29.700 0.040 0.000 1.057 433 E HN 0.430 nan 8.360 nan 0.000 0.479 434 V N 1.505 121.443 119.914 0.040 0.000 2.599 434 V HA -0.023 4.097 4.120 0.000 0.000 0.300 434 V C 0.757 176.879 176.094 0.046 0.000 1.034 434 V CA 0.041 62.367 62.300 0.045 0.000 1.115 434 V CB -0.267 31.577 31.823 0.035 0.000 0.934 434 V HN 0.412 nan 8.190 nan 0.000 0.485 435 L N 5.043 126.301 121.223 0.059 0.000 2.426 435 L HA 0.233 4.574 4.340 0.000 0.000 0.271 435 L C 1.484 178.381 176.870 0.046 0.000 1.169 435 L CA 0.126 54.997 54.840 0.052 0.000 0.836 435 L CB 0.993 43.088 42.059 0.061 0.000 1.112 435 L HN 0.900 nan 8.230 nan 0.000 0.465 436 T N -3.215 111.360 114.554 0.034 0.000 3.001 436 T HA 0.205 4.555 4.350 0.000 0.000 0.251 436 T C 0.135 174.848 174.700 0.022 0.000 1.040 436 T CA -0.205 61.911 62.100 0.027 0.000 0.985 436 T CB 0.078 68.958 68.868 0.021 0.000 1.011 436 T HN 0.563 nan 8.240 nan 0.000 0.509 437 D N 2.059 122.472 120.400 0.022 0.000 2.671 437 D HA 0.462 5.102 4.640 0.000 0.000 0.232 437 D C -2.838 173.471 176.300 0.015 0.000 1.114 437 D CA -1.724 52.284 54.000 0.014 0.000 0.858 437 D CB 2.214 43.021 40.800 0.012 0.000 1.544 437 D HN 0.024 nan 8.370 nan 0.000 0.471 438 P HA 0.106 nan 4.420 nan 0.000 0.269 438 P C -0.888 176.421 177.300 0.014 0.000 1.209 438 P CA -0.279 62.819 63.100 -0.005 0.000 0.776 438 P CB 0.873 32.554 31.700 -0.032 0.000 0.876 439 V N 2.626 122.566 119.914 0.043 0.000 2.482 439 V HA 0.248 4.368 4.120 0.000 0.000 0.295 439 V C 0.235 176.384 176.094 0.093 0.000 1.026 439 V CA -0.557 61.774 62.300 0.052 0.000 0.856 439 V CB 1.429 33.265 31.823 0.021 0.000 1.001 439 V HN 0.586 nan 8.190 nan 0.000 0.424 440 E N 3.708 123.927 120.200 0.031 0.000 2.227 440 E HA 0.575 4.926 4.350 0.000 0.000 0.282 440 E C -1.420 175.182 176.600 0.004 0.000 1.015 440 E CA -0.428 55.975 56.400 0.006 0.000 0.823 440 E CB 1.793 31.467 29.700 -0.044 0.000 1.081 440 E HN 0.481 nan 8.360 nan 0.000 0.396 441 V N 4.636 124.561 119.914 0.019 0.000 2.325 441 V HA 0.295 4.415 4.120 0.000 0.000 0.280 441 V C -0.618 175.419 176.094 -0.095 0.000 1.016 441 V CA -0.520 61.771 62.300 -0.015 0.000 0.818 441 V CB 1.563 33.447 31.823 0.101 0.000 1.019 441 V HN 0.698 nan 8.190 nan 0.000 0.434 442 T N 3.693 118.180 114.554 -0.111 0.000 2.965 442 T HA 0.804 5.154 4.350 0.000 0.000 0.306 442 T C 0.232 174.859 174.700 -0.121 0.000 0.991 442 T CA 0.072 62.117 62.100 -0.092 0.000 1.001 442 T CB 1.442 70.289 68.868 -0.036 0.000 0.984 442 T HN 1.179 nan 8.240 nan 0.000 0.446 443 G N 2.101 110.882 108.800 -0.032 0.000 2.352 443 G HA2 0.362 4.322 3.960 0.000 0.000 0.283 443 G HA3 0.362 4.322 3.960 0.000 0.000 0.283 443 G C -0.446 174.526 174.900 0.121 0.000 1.308 443 G CA -0.338 44.613 45.100 -0.248 0.000 0.892 443 G HN 0.827 nan 8.290 nan 0.000 0.504 444 T N -1.686 112.942 114.554 0.123 0.000 2.913 444 T HA 0.600 4.951 4.350 0.000 0.000 0.297 444 T C -0.002 174.800 174.700 0.170 0.000 1.029 444 T CA -0.314 61.925 62.100 0.231 0.000 1.104 444 T CB 1.643 70.637 68.868 0.210 0.000 0.964 444 T HN 1.256 nan 8.240 nan 0.000 0.532 445 V N 2.495 122.487 119.914 0.131 0.000 2.735 445 V HA 0.814 4.934 4.120 0.000 0.000 0.310 445 V C -0.013 176.119 176.094 0.063 0.000 1.061 445 V CA -0.708 61.644 62.300 0.088 0.000 0.913 445 V CB 1.832 33.688 31.823 0.055 0.000 1.005 445 V HN 1.364 nan 8.190 nan 0.000 0.428 446 S N 2.572 118.298 115.700 0.042 0.000 2.596 446 S HA 0.972 5.442 4.470 0.000 0.000 0.270 446 S C -0.831 173.750 174.600 -0.031 0.000 1.155 446 S CA -0.229 57.974 58.200 0.005 0.000 0.827 446 S CB 2.176 65.371 63.200 -0.009 0.000 1.130 446 S HN 1.628 nan 8.310 nan 0.000 0.467 447 A N 1.009 123.785 122.820 -0.073 0.000 2.469 447 A HA 0.938 5.258 4.320 0.000 0.000 0.299 447 A C -1.069 176.379 177.584 -0.226 0.000 1.098 447 A CA -0.941 51.006 52.037 -0.150 0.000 0.737 447 A CB 1.393 20.334 19.000 -0.099 0.000 1.312 447 A HN 0.641 nan 8.150 nan 0.000 0.414 448 R N 1.291 121.548 120.500 -0.405 0.000 2.422 448 R HA 0.525 4.865 4.340 0.000 0.000 0.307 448 R C -1.613 174.491 176.300 -0.326 0.000 1.004 448 R CA -0.240 55.618 56.100 -0.403 0.000 0.882 448 R CB 0.762 30.752 30.300 -0.517 0.000 1.164 448 R HN 0.677 nan 8.270 nan 0.000 0.489 449 L N 3.198 124.266 121.223 -0.258 0.000 2.346 449 L HA 0.586 4.927 4.340 0.000 0.000 0.274 449 L C -0.485 176.252 176.870 -0.222 0.000 1.007 449 L CA -0.952 53.797 54.840 -0.152 0.000 0.818 449 L CB 1.456 43.420 42.059 -0.158 0.000 1.284 449 L HN 0.290 nan 8.230 nan 0.000 0.424 450 F N 2.768 122.703 119.950 -0.025 0.000 2.391 450 F HA 0.498 5.025 4.527 0.000 0.000 0.359 450 F C 0.345 176.138 175.800 -0.011 0.000 1.122 450 F CA -0.605 57.402 58.000 0.011 0.000 1.120 450 F CB 1.503 40.571 39.000 0.114 0.000 1.142 450 F HN 0.144 nan 8.300 nan 0.000 0.483 451 V N 0.210 120.134 119.914 0.018 0.000 3.074 451 V HA 0.977 5.098 4.120 0.000 0.000 0.314 451 V C -0.610 175.556 176.094 0.120 0.000 1.117 451 V CA -0.912 61.343 62.300 -0.074 0.000 1.014 451 V CB 1.845 33.170 31.823 -0.830 0.000 1.057 451 V HN 0.688 nan 8.190 nan 0.000 0.438 452 S N 0.601 116.438 115.700 0.228 0.000 2.550 452 S HA 0.853 5.323 4.470 0.000 0.000 0.270 452 S C -0.727 174.055 174.600 0.303 0.000 1.145 452 S CA -0.123 58.251 58.200 0.289 0.000 0.852 452 S CB 1.550 64.924 63.200 0.290 0.000 1.119 452 S HN 1.920 nan 8.310 nan 0.000 0.465 453 S N 0.068 115.923 115.700 0.258 0.000 2.588 453 S HA 0.640 5.110 4.470 0.000 0.000 0.275 453 S C 0.708 175.379 174.600 0.118 0.000 1.130 453 S CA -0.001 58.311 58.200 0.188 0.000 0.855 453 S CB 1.569 64.885 63.200 0.194 0.000 1.116 453 S HN 1.426 nan 8.310 nan 0.000 0.472 454 S N 1.608 117.351 115.700 0.070 0.000 2.528 454 S HA 0.433 4.904 4.470 0.000 0.000 0.219 454 S C 0.754 175.379 174.600 0.041 0.000 0.985 454 S CA 0.249 58.478 58.200 0.047 0.000 0.914 454 S CB -0.236 62.978 63.200 0.023 0.000 0.776 454 S HN 1.001 nan 8.310 nan 0.000 0.526 455 A N 1.390 124.236 122.820 0.044 0.000 2.269 455 A HA 0.692 5.012 4.320 0.000 0.000 0.327 455 A C 1.050 178.656 177.584 0.036 0.000 1.112 455 A CA -0.253 51.801 52.037 0.029 0.000 0.865 455 A CB 0.978 19.988 19.000 0.016 0.000 1.227 455 A HN 0.810 nan 8.150 nan 0.000 0.498 456 V N -2.334 117.589 119.914 0.016 0.000 3.623 456 V HA 0.310 4.430 4.120 0.000 0.000 0.271 456 V C 0.075 176.155 176.094 -0.023 0.000 1.248 456 V CA 1.352 63.655 62.300 0.006 0.000 1.156 456 V CB -1.151 30.671 31.823 -0.002 0.000 0.870 456 V HN 0.802 nan 8.190 nan 0.000 0.453 457 D N -1.933 118.457 120.400 -0.017 0.000 2.706 457 D HA 0.580 5.220 4.640 0.000 0.000 0.227 457 D C -0.769 175.523 176.300 -0.014 0.000 1.233 457 D CA 0.425 54.403 54.000 -0.036 0.000 0.768 457 D CB 2.112 42.880 40.800 -0.055 0.000 1.490 457 D HN 0.190 nan 8.370 nan 0.000 0.458 458 T N 0.802 115.335 114.554 -0.035 0.000 2.654 458 T HA 0.413 4.763 4.350 0.000 0.000 0.303 458 T C -1.995 172.609 174.700 -0.160 0.000 1.656 458 T CA -0.554 61.506 62.100 -0.066 0.000 0.971 458 T CB 0.918 69.717 68.868 -0.115 0.000 1.811 458 T HN 0.305 nan 8.240 nan 0.000 0.483 459 D N -0.049 120.160 120.400 -0.317 0.000 2.423 459 D HA 0.739 5.379 4.640 0.000 0.000 0.235 459 D C -1.259 174.669 176.300 -0.620 0.000 1.011 459 D CA -0.034 53.781 54.000 -0.308 0.000 0.963 459 D CB 1.250 41.915 40.800 -0.225 0.000 1.349 459 D HN 0.325 nan 8.370 nan 0.000 0.508 460 F N 0.108 120.043 119.950 -0.025 0.000 2.561 460 F HA 0.363 4.890 4.527 0.000 0.000 0.313 460 F C 0.343 176.138 175.800 -0.008 0.000 1.126 460 F CA -0.648 57.361 58.000 0.016 0.000 0.918 460 F CB 2.130 41.155 39.000 0.042 0.000 1.199 460 F HN 0.087 nan 8.300 nan 0.000 0.444 461 T N 0.114 114.773 114.554 0.175 0.000 2.932 461 T HA 0.957 5.307 4.350 0.000 0.000 0.289 461 T C -0.878 173.902 174.700 0.134 0.000 1.039 461 T CA -0.934 61.233 62.100 0.111 0.000 1.024 461 T CB 2.063 70.978 68.868 0.079 0.000 1.090 461 T HN 0.907 nan 8.240 nan 0.000 0.496 462 A N 1.651 124.535 122.820 0.107 0.000 2.427 462 A HA 0.772 5.093 4.320 0.000 0.000 0.298 462 A C -0.765 176.880 177.584 0.102 0.000 1.036 462 A CA -0.933 51.164 52.037 0.100 0.000 0.701 462 A CB 1.590 20.630 19.000 0.066 0.000 1.250 462 A HN 0.958 nan 8.150 nan 0.000 0.412 463 K N 2.501 122.968 120.400 0.111 0.000 2.471 463 K HA 0.562 4.883 4.320 0.000 0.000 0.252 463 K C -1.782 174.890 176.600 0.120 0.000 0.938 463 K CA -0.716 55.643 56.287 0.120 0.000 0.796 463 K CB 1.608 34.188 32.500 0.133 0.000 1.161 463 K HN 0.632 nan 8.250 nan 0.000 0.425 464 L N 4.859 126.152 121.223 0.117 0.000 2.305 464 L HA 0.445 4.785 4.340 0.000 0.000 0.281 464 L C -1.335 175.645 176.870 0.183 0.000 1.085 464 L CA -0.052 54.865 54.840 0.127 0.000 0.813 464 L CB 1.466 43.590 42.059 0.109 0.000 1.157 464 L HN 0.399 nan 8.230 nan 0.000 0.436 465 V N 3.839 123.886 119.914 0.221 0.000 2.841 465 V HA 0.396 4.516 4.120 0.000 0.000 0.310 465 V C -1.068 175.257 176.094 0.386 0.000 1.090 465 V CA -0.862 61.597 62.300 0.265 0.000 0.930 465 V CB 1.985 33.949 31.823 0.234 0.000 1.014 465 V HN 0.718 nan 8.190 nan 0.000 0.425 466 D N 2.927 123.558 120.400 0.385 0.000 2.373 466 D HA 0.364 5.005 4.640 0.000 0.000 0.227 466 D C -0.668 175.911 176.300 0.465 0.000 1.091 466 D CA -0.116 54.155 54.000 0.453 0.000 0.840 466 D CB 1.773 42.673 40.800 0.167 0.000 1.060 466 D HN 0.247 nan 8.370 nan 0.000 0.502 467 V N 5.371 125.515 119.914 0.384 0.000 2.385 467 V HA 0.233 4.353 4.120 0.000 0.000 0.269 467 V C 0.395 176.611 176.094 0.203 0.000 1.043 467 V CA -0.561 61.924 62.300 0.308 0.000 0.906 467 V CB 0.010 31.952 31.823 0.199 0.000 0.995 467 V HN 0.346 nan 8.190 nan 0.000 0.467 468 F N 6.551 126.450 119.950 -0.085 0.000 2.380 468 F HA 0.351 4.878 4.527 0.000 0.000 0.325 468 F C -0.946 174.691 175.800 -0.272 0.000 1.136 468 F CA -1.916 55.864 58.000 -0.367 0.000 1.171 468 F CB 0.450 39.330 39.000 -0.199 0.000 1.230 468 F HN 0.345 nan 8.300 nan 0.000 0.554 469 P HA -0.174 nan 4.420 nan 0.000 0.216 469 P C 0.616 177.919 177.300 0.006 0.000 1.150 469 P CA 1.601 64.656 63.100 -0.075 0.000 0.837 469 P CB -0.036 31.615 31.700 -0.082 0.000 0.786 470 D N -2.538 117.889 120.400 0.044 0.000 2.363 470 D HA 0.088 4.728 4.640 0.000 0.000 0.226 470 D C 1.437 177.751 176.300 0.024 0.000 1.020 470 D CA 0.878 54.897 54.000 0.031 0.000 0.892 470 D CB -0.705 40.110 40.800 0.025 0.000 0.900 470 D HN 0.238 nan 8.370 nan 0.000 0.531 471 G N -0.089 108.739 108.800 0.047 0.000 2.284 471 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 471 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 471 G C 0.352 175.278 174.900 0.043 0.000 1.009 471 G CA -0.310 44.818 45.100 0.046 0.000 0.625 471 G HN 0.370 nan 8.290 nan 0.000 0.501 472 R N 1.192 121.688 120.500 -0.006 0.000 2.502 472 R HA 0.428 4.768 4.340 0.000 0.000 0.292 472 R C 0.472 176.795 176.300 0.038 0.000 0.998 472 R CA 0.773 56.821 56.100 -0.086 0.000 1.056 472 R CB 0.520 30.624 30.300 -0.328 0.000 0.939 472 R HN 0.608 nan 8.270 nan 0.000 0.411 473 A N 5.989 128.829 122.820 0.034 0.000 2.511 473 A HA 0.274 4.594 4.320 0.000 0.000 0.340 473 A C -0.196 177.445 177.584 0.096 0.000 1.396 473 A CA -0.698 51.428 52.037 0.148 0.000 0.887 473 A CB 0.303 19.432 19.000 0.214 0.000 1.145 473 A HN 0.485 nan 8.150 nan 0.000 0.497 474 I N 2.446 123.103 120.570 0.144 0.000 2.396 474 I HA 0.257 4.427 4.170 0.000 0.000 0.289 474 I C 1.086 177.309 176.117 0.176 0.000 1.056 474 I CA -0.143 61.218 61.300 0.102 0.000 1.365 474 I CB 0.401 38.460 38.000 0.097 0.000 1.407 474 I HN 0.641 nan 8.210 nan 0.000 0.509 475 A N 7.063 129.971 122.820 0.146 0.000 2.462 475 A HA 0.393 4.714 4.320 0.000 0.000 0.243 475 A C 0.852 178.630 177.584 0.324 0.000 1.076 475 A CA 0.100 52.262 52.037 0.208 0.000 0.773 475 A CB 0.508 19.616 19.000 0.181 0.000 1.010 475 A HN 0.839 nan 8.150 nan 0.000 0.493 476 L N 1.120 122.500 121.223 0.261 0.000 2.670 476 L HA 0.217 4.557 4.340 0.000 0.000 0.177 476 L C 0.577 177.483 176.870 0.059 0.000 1.181 476 L CA 0.624 55.569 54.840 0.176 0.000 0.856 476 L CB 0.162 42.262 42.059 0.068 0.000 1.205 476 L HN 0.959 nan 8.230 nan 0.000 0.506 477 C N -1.564 117.780 119.300 0.073 0.000 3.173 477 C HA 0.764 5.225 4.460 0.000 0.000 0.310 477 C C -1.630 173.419 174.990 0.098 0.000 1.306 477 C CA -0.852 58.200 59.018 0.056 0.000 1.426 477 C CB 1.659 29.408 27.740 0.014 0.000 1.800 477 C HN 0.565 nan 8.230 nan 0.000 0.470 478 D N 0.217 120.682 120.400 0.109 0.000 2.615 478 D HA 0.666 5.306 4.640 0.000 0.000 0.267 478 D C -0.633 175.748 176.300 0.134 0.000 1.236 478 D CA -0.058 54.016 54.000 0.125 0.000 0.839 478 D CB 1.698 42.588 40.800 0.150 0.000 1.380 478 D HN 1.304 nan 8.370 nan 0.000 0.433 479 G N -0.611 108.263 108.800 0.122 0.000 2.687 479 G HA2 0.621 4.581 3.960 0.000 0.000 0.291 479 G HA3 0.621 4.581 3.960 0.000 0.000 0.291 479 G C -1.741 173.176 174.900 0.028 0.000 1.420 479 G CA -0.807 44.344 45.100 0.086 0.000 0.796 479 G HN 0.666 nan 8.290 nan 0.000 0.485 480 I N -0.839 119.666 120.570 -0.108 0.000 2.913 480 I HA 0.732 4.902 4.170 0.000 0.000 0.302 480 I C -1.613 174.424 176.117 -0.134 0.000 1.246 480 I CA -1.197 60.001 61.300 -0.171 0.000 1.010 480 I CB 2.398 40.107 38.000 -0.485 0.000 1.259 480 I HN 0.557 nan 8.210 nan 0.000 0.434 481 V N 6.715 126.603 119.914 -0.044 0.000 2.569 481 V HA 0.551 4.671 4.120 0.000 0.000 0.301 481 V C -0.834 175.282 176.094 0.037 0.000 1.044 481 V CA -0.520 61.785 62.300 0.008 0.000 0.874 481 V CB 1.789 33.643 31.823 0.052 0.000 1.002 481 V HN 0.822 nan 8.190 nan 0.000 0.424 482 R N 6.608 127.149 120.500 0.068 0.000 2.216 482 R HA 0.340 4.680 4.340 0.000 0.000 0.332 482 R C 1.271 177.620 176.300 0.082 0.000 1.056 482 R CA -0.546 55.614 56.100 0.100 0.000 0.901 482 R CB 0.956 31.409 30.300 0.255 0.000 1.039 482 R HN 0.790 nan 8.270 nan 0.000 0.456 483 M N 3.895 123.506 119.600 0.020 0.000 2.143 483 M HA -0.261 4.219 4.480 0.000 0.000 0.258 483 M C 1.839 178.060 176.300 -0.132 0.000 1.071 483 M CA 1.936 57.214 55.300 -0.036 0.000 1.088 483 M CB -0.903 31.673 32.600 -0.039 0.000 1.360 483 M HN 0.656 nan 8.290 nan 0.000 0.404 484 R N -0.641 119.732 120.500 -0.213 0.000 2.193 484 R HA -0.167 4.173 4.340 0.000 0.000 0.229 484 R C 0.687 176.755 176.300 -0.387 0.000 1.110 484 R CA 1.420 57.307 56.100 -0.355 0.000 0.988 484 R CB -0.618 29.378 30.300 -0.507 0.000 0.871 484 R HN 0.329 nan 8.270 nan 0.000 0.458 485 Y N 1.623 121.902 120.300 -0.036 0.000 2.607 485 Y HA 0.285 4.836 4.550 0.000 0.000 0.266 485 Y C 1.701 177.576 175.900 -0.042 0.000 1.178 485 Y CA -0.908 57.172 58.100 -0.033 0.000 1.226 485 Y CB 0.136 38.588 38.460 -0.013 0.000 1.144 485 Y HN 0.099 nan 8.280 nan 0.000 0.528 486 R N 0.314 120.839 120.500 0.041 0.000 2.127 486 R HA -0.174 4.167 4.340 0.000 0.000 0.238 486 R C 0.751 177.055 176.300 0.006 0.000 1.134 486 R CA 2.198 58.302 56.100 0.007 0.000 0.975 486 R CB -0.320 29.946 30.300 -0.056 0.000 0.865 486 R HN 0.376 nan 8.270 nan 0.000 0.447 487 E N 0.007 120.212 120.200 0.008 0.000 2.413 487 E HA 0.066 4.416 4.350 0.000 0.000 0.203 487 E C 0.037 176.646 176.600 0.016 0.000 0.957 487 E CA 0.523 56.927 56.400 0.007 0.000 0.950 487 E CB 1.074 30.776 29.700 0.003 0.000 0.957 487 E HN 0.233 nan 8.360 nan 0.000 0.497 488 T N -0.809 113.771 114.554 0.045 0.000 3.047 488 T HA 0.254 4.605 4.350 0.000 0.000 0.340 488 T C -0.265 174.500 174.700 0.110 0.000 1.421 488 T CA -0.592 61.532 62.100 0.041 0.000 1.090 488 T CB 0.995 69.877 68.868 0.022 0.000 1.292 488 T HN -0.005 nan 8.240 nan 0.000 0.480 489 L N 3.772 124.991 121.223 -0.006 0.000 2.492 489 L HA 0.153 4.493 4.340 0.000 0.000 0.223 489 L C 2.054 178.847 176.870 -0.128 0.000 1.132 489 L CA 0.306 55.060 54.840 -0.143 0.000 0.850 489 L CB -0.066 41.769 42.059 -0.373 0.000 0.966 489 L HN 0.525 nan 8.230 nan 0.000 0.454 490 V N -1.407 118.477 119.914 -0.051 0.000 2.492 490 V HA 0.033 4.153 4.120 0.000 0.000 0.241 490 V C 0.604 176.725 176.094 0.045 0.000 1.041 490 V CA 0.869 63.147 62.300 -0.036 0.000 1.057 490 V CB -0.161 31.631 31.823 -0.051 0.000 0.711 490 V HN 0.428 nan 8.190 nan 0.000 0.468 491 N N 1.435 120.168 118.700 0.055 0.000 2.904 491 N HA 0.301 5.041 4.740 0.000 0.000 0.257 491 N C -2.790 172.739 175.510 0.032 0.000 1.363 491 N CA -0.877 52.198 53.050 0.042 0.000 0.856 491 N CB 1.145 39.643 38.487 0.018 0.000 1.166 491 N HN 0.364 nan 8.380 nan 0.000 0.499 492 P HA 0.077 nan 4.420 nan 0.000 0.269 492 P C -0.108 177.123 177.300 -0.116 0.000 1.215 492 P CA 0.187 63.217 63.100 -0.117 0.000 0.780 492 P CB 0.916 32.375 31.700 -0.401 0.000 0.898 493 T N -0.870 113.600 114.554 -0.139 0.000 2.900 493 T HA 0.568 4.918 4.350 0.000 0.000 0.303 493 T C 0.024 174.645 174.700 -0.131 0.000 1.142 493 T CA -0.942 61.098 62.100 -0.101 0.000 1.007 493 T CB 0.695 69.529 68.868 -0.056 0.000 1.156 493 T HN 0.158 nan 8.240 nan 0.000 0.490 494 L N 2.047 123.211 121.223 -0.098 0.000 2.468 494 L HA 0.639 4.980 4.340 0.000 0.000 0.254 494 L C 0.573 177.385 176.870 -0.097 0.000 1.171 494 L CA -1.235 53.545 54.840 -0.100 0.000 0.809 494 L CB 0.450 42.473 42.059 -0.061 0.000 1.155 494 L HN 0.743 nan 8.230 nan 0.000 0.473 495 I N -2.446 118.060 120.570 -0.105 0.000 2.982 495 I HA 0.486 4.656 4.170 0.000 0.000 0.312 495 I C -0.721 175.447 176.117 0.085 0.000 1.041 495 I CA -0.842 60.403 61.300 -0.091 0.000 1.053 495 I CB 1.765 39.553 38.000 -0.353 0.000 1.248 495 I HN 0.509 nan 8.210 nan 0.000 0.471 496 E N 2.452 122.804 120.200 0.252 0.000 2.175 496 E HA 0.510 4.860 4.350 0.000 0.000 0.278 496 E C -0.442 176.270 176.600 0.187 0.000 0.969 496 E CA -0.988 55.520 56.400 0.179 0.000 0.796 496 E CB 1.852 31.642 29.700 0.150 0.000 1.104 496 E HN 0.777 nan 8.360 nan 0.000 0.395 497 A N 2.196 125.085 122.820 0.115 0.000 2.540 497 A HA 0.344 4.664 4.320 0.000 0.000 0.239 497 A C 1.369 179.010 177.584 0.094 0.000 1.061 497 A CA 0.905 53.004 52.037 0.103 0.000 0.758 497 A CB -0.427 18.611 19.000 0.065 0.000 0.991 497 A HN 0.903 nan 8.150 nan 0.000 0.502 498 G N 1.029 109.892 108.800 0.104 0.000 2.304 498 G HA2 -0.275 3.686 3.960 0.000 0.000 0.252 498 G HA3 -0.275 3.686 3.960 0.000 0.000 0.252 498 G C 0.320 175.245 174.900 0.042 0.000 1.014 498 G CA 0.655 45.801 45.100 0.076 0.000 0.619 498 G HN 1.109 nan 8.290 nan 0.000 0.525 499 E N 0.625 120.844 120.200 0.033 0.000 2.338 499 E HA 0.486 4.836 4.350 0.000 0.000 0.272 499 E C 0.404 176.872 176.600 -0.220 0.000 1.029 499 E CA -0.648 55.670 56.400 -0.137 0.000 0.872 499 E CB 0.269 29.823 29.700 -0.243 0.000 1.015 499 E HN 0.376 nan 8.360 nan 0.000 0.417 500 I N 4.780 125.161 120.570 -0.315 0.000 2.371 500 I HA 0.142 4.312 4.170 0.000 0.000 0.290 500 I C -0.740 175.174 176.117 -0.338 0.000 1.028 500 I CA -0.284 60.856 61.300 -0.268 0.000 1.345 500 I CB 0.366 38.169 38.000 -0.327 0.000 1.407 500 I HN 0.494 nan 8.210 nan 0.000 0.501 501 Y N 3.977 124.263 120.300 -0.022 0.000 2.446 501 Y HA 0.345 4.895 4.550 0.000 0.000 0.345 501 Y C 0.098 175.902 175.900 -0.159 0.000 0.984 501 Y CA -0.843 57.227 58.100 -0.051 0.000 1.058 501 Y CB 1.631 40.066 38.460 -0.041 0.000 1.220 501 Y HN 0.461 nan 8.280 nan 0.000 0.455 502 E N 3.222 123.354 120.200 -0.114 0.000 2.081 502 E HA 0.511 4.861 4.350 0.000 0.000 0.276 502 E C -1.398 175.048 176.600 -0.257 0.000 0.950 502 E CA -0.623 55.480 56.400 -0.495 0.000 0.776 502 E CB 0.875 30.140 29.700 -0.724 0.000 1.094 502 E HN 0.546 nan 8.360 nan 0.000 0.402 503 V N 0.899 120.666 119.914 -0.245 0.000 2.815 503 V HA 0.910 5.030 4.120 0.000 0.000 0.314 503 V C -0.315 175.687 176.094 -0.154 0.000 1.064 503 V CA -0.948 61.266 62.300 -0.143 0.000 0.952 503 V CB 1.527 33.303 31.823 -0.079 0.000 1.020 503 V HN 0.660 nan 8.190 nan 0.000 0.439 504 A N 4.066 126.825 122.820 -0.102 0.000 2.312 504 A HA 0.894 5.214 4.320 0.000 0.000 0.326 504 A C -0.501 177.048 177.584 -0.057 0.000 1.172 504 A CA -0.732 51.249 52.037 -0.094 0.000 0.821 504 A CB 0.660 19.614 19.000 -0.076 0.000 1.166 504 A HN 0.911 nan 8.150 nan 0.000 0.493 505 I N 2.113 122.651 120.570 -0.054 0.000 2.410 505 I HA 0.185 4.356 4.170 0.000 0.000 0.286 505 I C -0.805 175.301 176.117 -0.018 0.000 1.009 505 I CA -0.612 60.673 61.300 -0.024 0.000 1.111 505 I CB 1.818 39.816 38.000 -0.004 0.000 1.262 505 I HN 0.617 nan 8.210 nan 0.000 0.443 506 D N 7.706 128.098 120.400 -0.013 0.000 2.338 506 D HA 0.193 4.833 4.640 0.000 0.000 0.255 506 D C 0.153 176.468 176.300 0.024 0.000 1.237 506 D CA 0.096 54.097 54.000 0.002 0.000 0.883 506 D CB 1.006 41.801 40.800 -0.007 0.000 1.087 506 D HN 0.450 nan 8.370 nan 0.000 0.485 507 M N 4.832 124.456 119.600 0.040 0.000 2.637 507 M HA 0.160 4.640 4.480 0.000 0.000 0.286 507 M C 0.917 177.263 176.300 0.078 0.000 1.246 507 M CA -0.375 54.961 55.300 0.060 0.000 0.978 507 M CB 0.032 32.664 32.600 0.053 0.000 1.417 507 M HN 0.405 nan 8.290 nan 0.000 0.487 508 L N -0.718 120.555 121.223 0.084 0.000 6.079 508 L HA -0.371 3.969 4.340 0.000 0.000 0.053 508 L C 0.280 177.251 176.870 0.167 0.000 2.483 508 L CA 1.318 56.227 54.840 0.114 0.000 1.581 508 L CB -1.528 40.593 42.059 0.103 0.000 2.843 508 L HN 0.474 nan 8.230 nan 0.000 1.020 509 A N -1.573 121.362 122.820 0.191 0.000 2.599 509 A HA 0.808 5.128 4.320 0.000 0.000 0.290 509 A C -0.676 176.960 177.584 0.088 0.000 1.101 509 A CA 0.528 52.717 52.037 0.254 0.000 0.674 509 A CB 2.161 21.486 19.000 0.541 0.000 1.277 509 A HN 0.649 nan 8.150 nan 0.000 0.419 510 T N -0.852 113.602 114.554 -0.167 0.000 2.718 510 T HA 0.659 5.009 4.350 0.000 0.000 0.306 510 T C -1.700 172.357 174.700 -1.072 0.000 1.485 510 T CA 0.379 61.982 62.100 -0.829 0.000 0.997 510 T CB 1.482 70.061 68.868 -0.483 0.000 1.504 510 T HN 1.850 nan 8.240 nan 0.000 0.497 511 S N 1.849 116.718 115.700 -1.385 0.000 2.673 511 S HA 0.645 5.115 4.470 0.000 0.000 0.256 511 S C -1.576 172.653 174.600 -0.618 0.000 1.141 511 S CA -0.617 57.110 58.200 -0.788 0.000 1.109 511 S CB 0.074 62.915 63.200 -0.599 0.000 1.101 511 S HN 0.761 nan 8.310 nan 0.000 0.471 512 N N 2.633 121.078 118.700 -0.425 0.000 2.324 512 N HA 0.495 5.236 4.740 0.000 0.000 0.285 512 N C -1.762 173.526 175.510 -0.370 0.000 1.076 512 N CA -0.435 52.347 53.050 -0.447 0.000 0.864 512 N CB 1.936 40.057 38.487 -0.609 0.000 1.632 512 N HN 0.279 nan 8.380 nan 0.000 0.478 513 V N 3.792 123.493 119.914 -0.356 0.000 2.333 513 V HA 0.430 4.550 4.120 0.000 0.000 0.274 513 V C -0.564 175.321 176.094 -0.348 0.000 1.028 513 V CA -0.465 61.695 62.300 -0.233 0.000 0.851 513 V CB -0.035 31.673 31.823 -0.191 0.000 1.000 513 V HN 0.539 nan 8.190 nan 0.000 0.456 514 F N 5.703 125.510 119.950 -0.240 0.000 2.438 514 F HA 0.382 4.909 4.527 0.000 0.000 0.360 514 F C 0.561 176.167 175.800 -0.324 0.000 1.118 514 F CA -0.158 57.660 58.000 -0.303 0.000 1.164 514 F CB 0.196 39.093 39.000 -0.171 0.000 1.131 514 F HN 0.263 nan 8.300 nan 0.000 0.527 515 L N 5.209 126.154 121.223 -0.465 0.000 2.466 515 L HA 0.337 4.677 4.340 0.000 0.000 0.257 515 L C -2.062 174.776 176.870 -0.053 0.000 1.189 515 L CA -2.093 52.572 54.840 -0.290 0.000 0.813 515 L CB 0.218 42.042 42.059 -0.391 0.000 1.118 515 L HN 0.302 nan 8.230 nan 0.000 0.471 516 P HA 0.030 nan 4.420 nan 0.000 0.265 516 P C 0.597 177.974 177.300 0.130 0.000 1.193 516 P CA 0.986 64.123 63.100 0.060 0.000 0.765 516 P CB 0.664 32.383 31.700 0.032 0.000 0.823 517 G N 0.869 109.735 108.800 0.110 0.000 2.234 517 G HA2 -0.186 3.774 3.960 0.000 0.000 0.235 517 G HA3 -0.186 3.774 3.960 0.000 0.000 0.235 517 G C 0.247 175.176 174.900 0.047 0.000 0.997 517 G CA -0.321 44.825 45.100 0.076 0.000 0.623 517 G HN 0.634 nan 8.290 nan 0.000 0.514 518 H N 0.144 119.196 119.070 -0.030 0.000 2.523 518 H HA 0.699 5.256 4.556 0.001 0.000 0.345 518 H C 0.318 175.672 175.328 0.043 0.000 1.261 518 H CA -0.355 55.683 56.048 -0.018 0.000 1.343 518 H CB 1.039 30.758 29.762 -0.071 0.000 1.650 518 H HN 0.197 nan 8.280 nan 0.000 0.591 519 R N 0.562 121.187 120.500 0.208 0.000 2.744 519 R HA 0.420 4.760 4.340 0.000 0.000 0.279 519 R C -0.731 175.639 176.300 0.118 0.000 0.977 519 R CA -0.787 55.384 56.100 0.120 0.000 0.906 519 R CB 2.078 32.430 30.300 0.087 0.000 1.197 519 R HN 0.411 nan 8.270 nan 0.000 0.463 520 I N 3.130 123.641 120.570 -0.098 0.000 2.331 520 I HA 0.343 4.513 4.170 0.000 0.000 0.292 520 I C -0.014 176.045 176.117 -0.097 0.000 0.998 520 I CA -0.164 60.933 61.300 -0.338 0.000 1.267 520 I CB 1.324 38.852 38.000 -0.787 0.000 1.386 520 I HN 0.427 nan 8.210 nan 0.000 0.476 521 M N 6.952 126.562 119.600 0.017 0.000 2.518 521 M HA 0.650 5.131 4.480 0.000 0.000 0.300 521 M C -1.979 174.374 176.300 0.089 0.000 1.175 521 M CA -0.613 54.729 55.300 0.070 0.000 0.890 521 M CB 2.411 35.074 32.600 0.105 0.000 1.710 521 M HN 0.272 nan 8.290 nan 0.000 0.453 522 V N 3.405 123.394 119.914 0.124 0.000 2.588 522 V HA 0.422 4.542 4.120 0.000 0.000 0.304 522 V C -0.932 175.281 176.094 0.199 0.000 1.042 522 V CA -0.628 61.757 62.300 0.141 0.000 0.877 522 V CB 1.985 33.874 31.823 0.110 0.000 0.996 522 V HN 0.859 nan 8.190 nan 0.000 0.425 523 Q N 2.615 122.511 119.800 0.160 0.000 2.271 523 Q HA 0.705 5.045 4.340 0.000 0.000 0.258 523 Q C -1.231 174.862 176.000 0.155 0.000 0.936 523 Q CA -0.472 55.417 55.803 0.143 0.000 0.909 523 Q CB 2.476 31.288 28.738 0.122 0.000 1.253 523 Q HN 0.593 nan 8.270 nan 0.000 0.440 524 V N 1.617 121.635 119.914 0.173 0.000 2.604 524 V HA 0.677 4.797 4.120 0.000 0.000 0.305 524 V C -0.318 175.816 176.094 0.067 0.000 1.043 524 V CA -0.282 62.127 62.300 0.181 0.000 0.888 524 V CB 1.819 33.818 31.823 0.293 0.000 0.995 524 V HN 0.825 nan 8.190 nan 0.000 0.429 525 S N 2.420 118.167 115.700 0.078 0.000 2.873 525 S HA 0.527 4.997 4.470 0.000 0.000 0.303 525 S C 0.003 174.635 174.600 0.055 0.000 1.222 525 S CA 0.179 58.327 58.200 -0.087 0.000 0.923 525 S CB 1.929 65.052 63.200 -0.128 0.000 1.286 525 S HN 0.583 nan 8.310 nan 0.000 0.571 526 S N 0.675 116.304 115.700 -0.119 0.000 2.937 526 S HA 0.474 4.945 4.470 0.000 0.000 0.252 526 S C -0.883 173.338 174.600 -0.633 0.000 1.022 526 S CA 0.113 58.075 58.200 -0.395 0.000 1.079 526 S CB 0.414 63.314 63.200 -0.500 0.000 1.035 526 S HN 0.951 nan 8.310 nan 0.000 0.594 527 S N 1.355 116.859 115.700 -0.326 0.000 2.567 527 S HA 0.708 5.178 4.470 0.000 0.000 0.270 527 S C -1.533 173.087 174.600 0.032 0.000 1.152 527 S CA -0.802 57.289 58.200 -0.181 0.000 0.835 527 S CB 1.771 64.857 63.200 -0.189 0.000 1.115 527 S HN 0.045 nan 8.310 nan 0.000 0.459 528 N N 0.379 119.172 118.700 0.155 0.000 3.153 528 N HA 0.281 5.021 4.740 0.000 0.000 0.208 528 N C -2.136 173.511 175.510 0.229 0.000 1.462 528 N CA -0.288 52.877 53.050 0.191 0.000 0.754 528 N CB 0.449 39.075 38.487 0.231 0.000 1.558 528 N HN 0.656 nan 8.380 nan 0.000 0.605 529 F N 3.767 123.749 119.950 0.053 0.000 2.450 529 F HA 0.692 5.219 4.527 0.000 0.000 0.332 529 F C -1.651 174.131 175.800 -0.030 0.000 1.093 529 F CA -2.123 55.889 58.000 0.019 0.000 1.003 529 F CB 1.966 40.988 39.000 0.037 0.000 1.151 529 F HN 0.176 nan 8.300 nan 0.000 0.474 530 P HA 0.027 nan 4.420 nan 0.000 0.258 530 P C 0.597 177.630 177.300 -0.445 0.000 1.416 530 P CA 0.244 62.666 63.100 -1.130 0.000 0.927 530 P CB 0.404 31.277 31.700 -1.378 0.000 1.444 531 K N 0.739 120.961 120.400 -0.297 0.000 2.074 531 K HA -0.136 4.184 4.320 0.000 0.000 0.209 531 K C -0.062 176.186 176.600 -0.587 0.000 1.048 531 K CA 1.512 57.549 56.287 -0.416 0.000 0.926 531 K CB -0.579 31.654 32.500 -0.445 0.000 0.713 531 K HN 0.107 nan 8.250 nan 0.000 0.444 532 Y N 0.767 121.059 120.300 -0.013 0.000 2.512 532 Y HA 0.221 4.771 4.550 0.000 0.000 0.348 532 Y C -0.463 175.513 175.900 0.127 0.000 0.990 532 Y CA -2.157 55.954 58.100 0.018 0.000 1.033 532 Y CB 1.253 39.729 38.460 0.027 0.000 1.259 532 Y HN 0.110 nan 8.280 nan 0.000 0.461 533 D N 1.379 121.953 120.400 0.291 0.000 2.360 533 D HA 0.117 4.757 4.640 0.000 0.000 0.242 533 D C -0.511 175.968 176.300 0.297 0.000 1.184 533 D CA -0.460 53.740 54.000 0.334 0.000 0.930 533 D CB 0.779 41.705 40.800 0.210 0.000 1.161 533 D HN 0.497 nan 8.370 nan 0.000 0.447 534 R N 0.877 121.517 120.500 0.233 0.000 2.438 534 R HA 0.181 4.521 4.340 0.000 0.000 0.287 534 R C 0.596 176.992 176.300 0.160 0.000 1.077 534 R CA -0.668 55.528 56.100 0.159 0.000 1.034 534 R CB 0.337 30.646 30.300 0.016 0.000 0.993 534 R HN 0.434 nan 8.270 nan 0.000 0.459 535 N N 0.815 119.634 118.700 0.199 0.000 2.520 535 N HA -0.042 4.698 4.740 0.000 0.000 0.273 535 N C 0.526 176.139 175.510 0.172 0.000 1.155 535 N CA 0.076 53.226 53.050 0.168 0.000 0.967 535 N CB 1.215 39.782 38.487 0.133 0.000 1.092 535 N HN 0.644 nan 8.380 nan 0.000 0.457 536 S N 2.168 117.916 115.700 0.080 0.000 2.527 536 S HA -0.021 4.449 4.470 0.000 0.000 0.222 536 S C 0.318 174.915 174.600 -0.006 0.000 0.985 536 S CA -0.038 58.173 58.200 0.017 0.000 0.921 536 S CB -0.170 63.035 63.200 0.008 0.000 0.772 536 S HN 0.740 nan 8.310 nan 0.000 0.529 537 N N 1.079 119.799 118.700 0.032 0.000 2.747 537 N HA -0.138 4.602 4.740 0.000 0.000 0.249 537 N C 0.640 176.145 175.510 -0.008 0.000 1.107 537 N CA 1.498 54.556 53.050 0.015 0.000 0.707 537 N CB -2.117 36.361 38.487 -0.015 0.000 1.054 537 N HN 0.870 nan 8.380 nan 0.000 0.555 538 T N -5.749 108.801 114.554 -0.007 0.000 2.955 538 T HA 0.423 4.773 4.350 0.000 0.000 0.251 538 T C 1.353 176.045 174.700 -0.013 0.000 1.002 538 T CA 1.237 63.330 62.100 -0.012 0.000 0.970 538 T CB 0.896 69.756 68.868 -0.012 0.000 1.091 538 T HN 0.762 nan 8.240 nan 0.000 0.495 539 G N 0.853 109.643 108.800 -0.016 0.000 2.157 539 G HA2 -0.012 3.948 3.960 0.000 0.000 0.248 539 G HA3 -0.012 3.948 3.960 0.000 0.000 0.248 539 G C 0.507 175.392 174.900 -0.024 0.000 0.979 539 G CA 0.019 45.101 45.100 -0.031 0.000 0.650 539 G HN 1.025 nan 8.290 nan 0.000 0.529 540 G N -1.173 107.621 108.800 -0.009 0.000 2.531 540 G HA2 0.582 4.542 3.960 0.000 0.000 0.281 540 G HA3 0.582 4.542 3.960 0.000 0.000 0.281 540 G C 0.218 175.125 174.900 0.012 0.000 1.382 540 G CA 0.047 45.145 45.100 -0.002 0.000 1.045 540 G HN 0.884 nan 8.290 nan 0.000 0.533 541 V N 1.772 121.697 119.914 0.018 0.000 2.326 541 V HA 0.056 4.176 4.120 0.000 0.000 0.249 541 V C 1.674 177.795 176.094 0.045 0.000 1.114 541 V CA -0.025 62.297 62.300 0.037 0.000 1.028 541 V CB -0.250 31.590 31.823 0.027 0.000 1.170 541 V HN 0.585 nan 8.190 nan 0.000 0.494 542 I N 3.486 124.095 120.570 0.065 0.000 2.143 542 I HA -0.335 3.835 4.170 0.000 0.000 0.245 542 I C 2.490 178.646 176.117 0.065 0.000 1.068 542 I CA 2.177 63.519 61.300 0.069 0.000 1.326 542 I CB -0.313 37.748 38.000 0.102 0.000 1.028 542 I HN 0.663 nan 8.210 nan 0.000 0.412 543 A N -0.083 122.784 122.820 0.079 0.000 2.172 543 A HA -0.078 4.242 4.320 0.000 0.000 0.216 543 A C 2.064 179.672 177.584 0.041 0.000 1.154 543 A CA 1.065 53.142 52.037 0.066 0.000 0.701 543 A CB -0.255 18.792 19.000 0.079 0.000 0.789 543 A HN 0.289 nan 8.150 nan 0.000 0.465 544 R N 0.273 120.793 120.500 0.033 0.000 2.397 544 R HA 0.194 4.535 4.340 0.000 0.000 0.241 544 R C -0.452 175.856 176.300 0.013 0.000 0.914 544 R CA 0.084 56.195 56.100 0.019 0.000 1.071 544 R CB 0.132 30.439 30.300 0.013 0.000 1.116 544 R HN 0.639 nan 8.270 nan 0.000 0.524 545 E N 1.172 121.381 120.200 0.015 0.000 2.277 545 E HA 0.168 4.518 4.350 0.000 0.000 0.274 545 E C -0.168 176.432 176.600 0.000 0.000 1.022 545 E CA -0.514 55.889 56.400 0.006 0.000 0.853 545 E CB 1.157 30.859 29.700 0.004 0.000 1.086 545 E HN -0.183 nan 8.360 nan 0.000 0.397 546 Q N 1.913 121.710 119.800 -0.006 0.000 2.261 546 Q HA 0.057 4.397 4.340 0.000 0.000 0.252 546 Q C 0.826 176.813 176.000 -0.021 0.000 0.915 546 Q CA -0.170 55.627 55.803 -0.011 0.000 0.915 546 Q CB 1.698 30.430 28.738 -0.010 0.000 1.204 546 Q HN 0.506 nan 8.270 nan 0.000 0.421 547 L N 3.352 124.559 121.223 -0.028 0.000 2.051 547 L HA -0.277 4.063 4.340 0.000 0.000 0.214 547 L C 1.788 178.631 176.870 -0.045 0.000 1.076 547 L CA 2.129 56.942 54.840 -0.044 0.000 0.758 547 L CB -0.219 41.810 42.059 -0.049 0.000 0.890 547 L HN 0.653 nan 8.230 nan 0.000 0.433 548 E N 0.119 120.299 120.200 -0.034 0.000 2.153 548 E HA -0.238 4.112 4.350 0.000 0.000 0.194 548 E C 1.965 178.546 176.600 -0.032 0.000 0.988 548 E CA 1.462 57.843 56.400 -0.032 0.000 0.811 548 E CB -0.167 29.519 29.700 -0.023 0.000 0.746 548 E HN 0.835 nan 8.360 nan 0.000 0.466 549 E N -0.898 119.285 120.200 -0.028 0.000 2.489 549 E HA 0.019 4.369 4.350 0.000 0.000 0.193 549 E C 0.317 176.898 176.600 -0.032 0.000 1.057 549 E CA -0.088 56.297 56.400 -0.025 0.000 0.866 549 E CB 0.008 29.697 29.700 -0.018 0.000 0.916 549 E HN 0.184 nan 8.360 nan 0.000 0.500 550 M N 0.932 120.506 119.600 -0.044 0.000 2.227 550 M HA 0.283 4.763 4.480 0.000 0.000 0.316 550 M C -0.416 175.841 176.300 -0.072 0.000 1.144 550 M CA -0.649 54.617 55.300 -0.057 0.000 1.121 550 M CB 1.229 33.785 32.600 -0.072 0.000 1.440 550 M HN 0.093 nan 8.290 nan 0.000 0.473 551 C N 0.091 119.340 119.300 -0.085 0.000 2.562 551 C HA 0.704 5.164 4.460 0.000 0.000 0.332 551 C C 0.581 175.480 174.990 -0.153 0.000 1.201 551 C CA -0.835 58.128 59.018 -0.092 0.000 1.803 551 C CB 1.636 29.340 27.740 -0.061 0.000 2.328 551 C HN 0.894 nan 8.230 nan 0.000 0.500 552 T N -0.166 114.302 114.554 -0.144 0.000 2.902 552 T HA 0.756 5.106 4.350 0.000 0.000 0.280 552 T C -0.415 174.211 174.700 -0.124 0.000 0.992 552 T CA -0.412 61.572 62.100 -0.194 0.000 1.015 552 T CB 1.344 70.133 68.868 -0.132 0.000 1.044 552 T HN 1.229 nan 8.240 nan 0.000 0.520 553 A N 0.964 123.723 122.820 -0.102 0.000 2.455 553 A HA 0.636 4.956 4.320 0.000 0.000 0.300 553 A C -0.720 176.859 177.584 -0.009 0.000 1.040 553 A CA -0.868 51.155 52.037 -0.024 0.000 0.697 553 A CB 1.714 20.728 19.000 0.024 0.000 1.265 553 A HN 0.811 nan 8.150 nan 0.000 0.407 554 V N 4.039 123.941 119.914 -0.020 0.000 2.353 554 V HA 0.246 4.366 4.120 0.000 0.000 0.264 554 V C -0.345 175.699 176.094 -0.084 0.000 1.049 554 V CA -0.584 61.687 62.300 -0.049 0.000 0.896 554 V CB 0.373 32.183 31.823 -0.023 0.000 1.025 554 V HN 0.805 nan 8.190 nan 0.000 0.475 555 N N 4.452 123.001 118.700 -0.252 0.000 2.430 555 N HA 0.613 5.353 4.740 0.000 0.000 0.298 555 N C -0.439 174.894 175.510 -0.295 0.000 1.130 555 N CA -0.659 52.256 53.050 -0.225 0.000 0.894 555 N CB 2.285 40.593 38.487 -0.298 0.000 1.209 555 N HN 0.631 nan 8.380 nan 0.000 0.503 556 R N 1.429 121.920 120.500 -0.014 0.000 2.621 556 R HA 0.470 4.810 4.340 0.000 0.000 0.284 556 R C -1.394 174.895 176.300 -0.018 0.000 0.998 556 R CA -0.570 55.492 56.100 -0.064 0.000 0.895 556 R CB 0.996 31.215 30.300 -0.135 0.000 1.195 556 R HN 0.396 nan 8.270 nan 0.000 0.450 557 I N 4.453 125.018 120.570 -0.008 0.000 2.339 557 I HA 0.279 4.449 4.170 0.000 0.000 0.290 557 I C -0.383 175.695 176.117 -0.064 0.000 0.994 557 I CA -0.741 60.583 61.300 0.041 0.000 1.191 557 I CB 1.050 39.158 38.000 0.181 0.000 1.343 557 I HN 0.690 nan 8.210 nan 0.000 0.458 558 H N 6.055 125.139 119.070 0.024 0.000 2.473 558 H HA 0.666 5.222 4.556 0.000 0.000 0.327 558 H C 0.015 175.365 175.328 0.038 0.000 1.105 558 H CA -0.508 55.524 56.048 -0.027 0.000 1.280 558 H CB 1.075 30.714 29.762 -0.205 0.000 1.450 558 H HN 0.463 nan 8.280 nan 0.000 0.492 559 R N 1.560 122.130 120.500 0.116 0.000 2.584 559 R HA 0.767 5.107 4.340 0.000 0.000 0.276 559 R C -0.848 175.494 176.300 0.070 0.000 1.046 559 R CA -1.039 55.122 56.100 0.102 0.000 0.906 559 R CB 1.992 32.349 30.300 0.095 0.000 1.215 559 R HN 0.866 nan 8.270 nan 0.000 0.449 560 G N 1.673 110.492 108.800 0.032 0.000 2.352 560 G HA2 0.117 4.077 3.960 0.000 0.000 0.283 560 G HA3 0.117 4.077 3.960 0.000 0.000 0.283 560 G C -2.726 172.120 174.900 -0.091 0.000 1.308 560 G CA -0.863 44.231 45.100 -0.010 0.000 0.892 560 G HN 0.309 nan 8.290 nan 0.000 0.504 561 P HA 0.003 nan 4.420 nan 0.000 0.215 561 P C 1.391 178.558 177.300 -0.222 0.000 1.153 561 P CA 1.494 64.497 63.100 -0.162 0.000 0.853 561 P CB 0.239 31.866 31.700 -0.122 0.000 0.788 562 E N -1.749 118.302 120.200 -0.249 0.000 2.371 562 E HA -0.044 4.306 4.350 0.000 0.000 0.194 562 E C 0.065 176.080 176.600 -0.975 0.000 1.012 562 E CA 0.845 56.953 56.400 -0.487 0.000 0.860 562 E CB -0.378 29.059 29.700 -0.440 0.000 0.811 562 E HN 0.523 nan 8.360 nan 0.000 0.502 563 H N -0.466 118.267 119.070 -0.561 0.000 2.429 563 H HA 0.237 4.794 4.556 0.000 0.000 0.231 563 H C -2.393 172.504 175.328 -0.719 0.000 1.416 563 H CA -1.814 53.502 56.048 -1.219 0.000 1.443 563 H CB 0.790 30.101 29.762 -0.752 0.000 1.591 563 H HN -0.095 nan 8.280 nan 0.000 0.507 564 P HA 0.017 nan 4.420 nan 0.000 0.231 564 P C -0.220 177.463 177.300 0.638 0.000 1.756 564 P CA 0.025 63.233 63.100 0.180 0.000 0.990 564 P CB -0.115 31.684 31.700 0.166 0.000 1.973 565 S N 2.538 118.551 115.700 0.522 0.000 2.552 565 S HA 0.134 4.604 4.470 0.000 0.000 0.289 565 S C 0.399 175.207 174.600 0.347 0.000 1.304 565 S CA 0.239 58.713 58.200 0.455 0.000 1.063 565 S CB -0.302 63.053 63.200 0.258 0.000 0.848 565 S HN 0.527 nan 8.310 nan 0.000 0.499 566 H N 0.235 119.350 119.070 0.074 0.000 2.967 566 H HA 0.510 5.067 4.556 0.000 0.000 0.318 566 H C -1.348 173.937 175.328 -0.072 0.000 1.375 566 H CA -0.985 55.015 56.048 -0.080 0.000 1.132 566 H CB 0.708 30.254 29.762 -0.361 0.000 1.848 566 H HN 0.559 nan 8.280 nan 0.000 0.524 567 I N 1.786 122.355 120.570 -0.003 0.000 2.460 567 I HA 0.392 4.562 4.170 0.000 0.000 0.298 567 I C -0.895 175.288 176.117 0.109 0.000 0.989 567 I CA -1.072 60.216 61.300 -0.020 0.000 1.173 567 I CB 1.364 39.350 38.000 -0.024 0.000 1.338 567 I HN 0.381 nan 8.210 nan 0.000 0.456 568 V N 8.157 128.129 119.914 0.098 0.000 2.333 568 V HA 0.343 4.463 4.120 0.000 0.000 0.274 568 V C 0.040 176.213 176.094 0.131 0.000 1.028 568 V CA -0.471 61.934 62.300 0.175 0.000 0.851 568 V CB 0.934 32.862 31.823 0.175 0.000 1.000 568 V HN 0.506 nan 8.190 nan 0.000 0.456 569 L N 7.697 128.996 121.223 0.127 0.000 2.295 569 L HA 0.498 4.838 4.340 0.000 0.000 0.285 569 L C -2.174 174.701 176.870 0.008 0.000 1.035 569 L CA -1.802 53.044 54.840 0.011 0.000 0.806 569 L CB 2.392 44.333 42.059 -0.198 0.000 1.214 569 L HN 0.393 nan 8.230 nan 0.000 0.426 570 P HA 0.134 nan 4.420 nan 0.000 0.256 570 P C -0.545 176.629 177.300 -0.211 0.000 1.689 570 P CA -0.259 62.672 63.100 -0.281 0.000 1.124 570 P CB 0.132 31.665 31.700 -0.277 0.000 1.766 571 I N 5.076 125.550 120.570 -0.159 0.000 2.496 571 I HA 0.204 4.374 4.170 0.000 0.000 0.285 571 I C 0.914 176.962 176.117 -0.115 0.000 1.080 571 I CA -0.398 60.851 61.300 -0.086 0.000 1.404 571 I CB 0.410 38.410 38.000 0.000 0.000 1.403 571 I HN 0.209 nan 8.210 nan 0.000 0.539 572 I N 5.661 126.180 120.570 -0.085 0.000 2.406 572 I HA 0.357 4.528 4.170 0.000 0.000 0.290 572 I C 0.489 176.578 176.117 -0.047 0.000 0.999 572 I CA -0.768 60.485 61.300 -0.078 0.000 1.124 572 I CB 1.252 39.207 38.000 -0.076 0.000 1.289 572 I HN 0.610 nan 8.210 nan 0.000 0.441 573 K N 6.876 127.252 120.400 -0.040 0.000 2.483 573 K HA 0.824 5.144 4.320 0.000 0.000 0.256 573 K C -0.354 176.232 176.600 -0.023 0.000 0.961 573 K CA -0.714 55.558 56.287 -0.026 0.000 0.873 573 K CB 1.710 34.197 32.500 -0.020 0.000 1.107 573 K HN 0.732 nan 8.250 nan 0.000 0.432 574 R N 0.000 120.488 120.500 -0.020 0.000 2.786 574 R HA 0.000 4.340 4.340 0.000 0.000 0.208 574 R CA 0.000 56.091 56.100 -0.016 0.000 0.921 574 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535