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 1x6l_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDA DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLPPLKE SLLEKNKPYK QNSGKVVGSY FVEAGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKISIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSAET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGV 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.583 177.584 -0.002 0.000 1.274 24 A CA 0.000 52.037 52.037 0.000 0.000 0.836 24 A CB 0.000 19.002 19.000 0.003 0.000 0.831 25 A N 0.240 123.058 122.820 -0.003 0.000 2.429 25 A HA 0.624 4.944 4.320 0.001 0.000 0.242 25 A C -2.268 175.314 177.584 -0.004 0.000 1.088 25 A CA -0.515 51.518 52.037 -0.007 0.000 0.784 25 A CB -0.983 18.011 19.000 -0.010 0.000 1.038 25 A HN 0.533 nan 8.150 nan 0.000 0.501 26 P HA 0.280 nan 4.420 nan 0.000 0.273 26 P C 0.550 177.850 177.300 0.001 0.000 1.250 26 P CA 0.236 63.334 63.100 -0.004 0.000 0.793 26 P CB 0.337 32.029 31.700 -0.013 0.000 1.011 27 G N 0.146 108.951 108.800 0.009 0.000 2.634 27 G HA2 0.196 4.156 3.960 0.001 0.000 0.255 27 G HA3 0.196 4.156 3.960 0.001 0.000 0.255 27 G C -0.691 174.217 174.900 0.013 0.000 1.205 27 G CA -0.400 44.712 45.100 0.020 0.000 0.884 27 G HN 0.424 nan 8.290 nan 0.000 0.549 28 K N 1.604 122.022 120.400 0.029 0.000 2.267 28 K HA 0.282 4.603 4.320 0.001 0.000 0.282 28 K C -2.001 174.627 176.600 0.048 0.000 1.078 28 K CA -1.587 54.716 56.287 0.027 0.000 0.903 28 K CB 1.099 33.623 32.500 0.039 0.000 1.111 28 K HN 0.256 nan 8.250 nan 0.000 0.475 29 P HA 0.119 nan 4.420 nan 0.000 0.276 29 P C -0.974 176.394 177.300 0.113 0.000 1.252 29 P CA -0.410 62.726 63.100 0.060 0.000 0.802 29 P CB 1.140 32.826 31.700 -0.024 0.000 1.035 30 T N 1.783 116.450 114.554 0.188 0.000 2.809 30 T HA 0.420 4.770 4.350 0.001 0.000 0.284 30 T C 0.460 175.314 174.700 0.258 0.000 0.992 30 T CA -0.434 61.804 62.100 0.229 0.000 0.957 30 T CB 0.318 69.387 68.868 0.334 0.000 0.942 30 T HN 0.216 nan 8.240 nan 0.000 0.439 31 I N 2.937 123.637 120.570 0.215 0.000 2.618 31 I HA 0.283 4.454 4.170 0.001 0.000 0.284 31 I C 1.055 177.304 176.117 0.221 0.000 1.146 31 I CA -0.292 61.143 61.300 0.224 0.000 1.425 31 I CB 0.505 38.602 38.000 0.161 0.000 1.383 31 I HN 0.649 nan 8.210 nan 0.000 0.562 32 A N 6.869 129.816 122.820 0.211 0.000 2.322 32 A HA 0.154 4.475 4.320 0.001 0.000 0.269 32 A C -0.647 177.062 177.584 0.210 0.000 1.094 32 A CA -0.422 51.744 52.037 0.215 0.000 0.807 32 A CB 0.268 19.365 19.000 0.163 0.000 1.047 32 A HN 0.788 nan 8.150 nan 0.000 0.487 33 W N 1.729 123.081 121.300 0.087 0.000 2.231 33 W HA 0.428 5.088 4.660 0.001 0.000 0.341 33 W C 0.486 177.039 176.519 0.057 0.000 1.298 33 W CA 1.764 59.150 57.345 0.068 0.000 1.266 33 W CB 0.268 29.762 29.460 0.057 0.000 1.172 33 W HN 1.142 nan 8.180 nan 0.000 0.568 34 G N 3.796 111.933 108.800 -1.106 0.000 2.325 34 G HA2 0.093 4.054 3.960 0.001 0.000 0.297 34 G HA3 0.093 4.054 3.960 0.001 0.000 0.297 34 G C -1.537 172.877 174.900 -0.809 0.000 1.448 34 G CA -1.313 43.152 45.100 -1.058 0.000 0.838 34 G HN 0.757 nan 8.290 nan 0.000 0.579 35 N N -0.711 117.621 118.700 -0.612 0.000 2.412 35 N HA 0.331 5.071 4.740 0.001 0.000 0.254 35 N C 1.359 176.620 175.510 -0.415 0.000 1.232 35 N CA 1.108 53.874 53.050 -0.473 0.000 0.880 35 N CB 0.987 39.215 38.487 -0.431 0.000 1.076 35 N HN 0.765 nan 8.380 nan 0.000 0.458 36 T N -0.950 113.352 114.554 -0.419 0.000 3.091 36 T HA 0.253 4.604 4.350 0.001 0.000 0.277 36 T C -0.110 174.312 174.700 -0.463 0.000 0.996 36 T CA -0.258 61.682 62.100 -0.267 0.000 0.897 36 T CB -0.140 68.674 68.868 -0.090 0.000 1.109 36 T HN 0.382 nan 8.240 nan 0.000 0.534 37 K N 1.304 121.229 120.400 -0.791 0.000 2.265 37 K HA 0.648 4.969 4.320 0.001 0.000 0.267 37 K C -1.450 174.545 176.600 -1.009 0.000 0.994 37 K CA -0.591 55.302 56.287 -0.656 0.000 0.860 37 K CB 1.137 33.359 32.500 -0.463 0.000 1.099 37 K HN 0.138 nan 8.250 nan 0.000 0.448 38 F N 0.673 120.518 119.950 -0.175 0.000 2.640 38 F HA 0.729 5.257 4.527 0.001 0.000 0.324 38 F C -0.305 175.374 175.800 -0.202 0.000 1.077 38 F CA -1.113 56.778 58.000 -0.181 0.000 0.965 38 F CB 1.931 40.831 39.000 -0.168 0.000 1.351 38 F HN 0.449 nan 8.300 nan 0.000 0.487 39 A N 0.689 123.525 122.820 0.026 0.000 2.488 39 A HA 0.660 4.980 4.320 0.001 0.000 0.298 39 A C -0.077 177.507 177.584 -0.000 0.000 1.044 39 A CA -0.537 51.465 52.037 -0.058 0.000 0.693 39 A CB 0.868 19.774 19.000 -0.157 0.000 1.272 39 A HN 0.770 nan 8.150 nan 0.000 0.402 40 I N 0.866 121.446 120.570 0.016 0.000 2.406 40 I HA -0.037 4.133 4.170 0.001 0.000 0.249 40 I C 0.107 176.226 176.117 0.004 0.000 1.122 40 I CA 1.150 62.455 61.300 0.009 0.000 1.431 40 I CB 0.168 38.179 38.000 0.018 0.000 1.087 40 I HN 0.337 nan 8.210 nan 0.000 0.424 41 V N 2.543 122.488 119.914 0.052 0.000 2.334 41 V HA 0.203 4.324 4.120 0.001 0.000 0.281 41 V C -0.201 175.964 176.094 0.118 0.000 1.016 41 V CA -0.682 61.628 62.300 0.018 0.000 0.832 41 V CB 1.175 32.951 31.823 -0.079 0.000 0.999 41 V HN 0.172 nan 8.190 nan 0.000 0.439 42 E N 3.362 123.584 120.200 0.037 0.000 2.277 42 E HA 0.617 4.967 4.350 0.001 0.000 0.274 42 E C -1.133 175.516 176.600 0.083 0.000 1.022 42 E CA -0.537 55.891 56.400 0.047 0.000 0.853 42 E CB 2.409 32.108 29.700 -0.002 0.000 1.086 42 E HN 0.400 nan 8.360 nan 0.000 0.397 43 V N 2.333 122.316 119.914 0.116 0.000 2.577 43 V HA 0.078 4.198 4.120 0.001 0.000 0.303 43 V C -0.647 175.498 176.094 0.085 0.000 1.042 43 V CA -0.899 61.491 62.300 0.151 0.000 0.872 43 V CB 1.999 34.012 31.823 0.317 0.000 0.998 43 V HN 0.639 nan 8.190 nan 0.000 0.423 44 D N 3.734 124.178 120.400 0.072 0.000 2.352 44 D HA 0.138 4.778 4.640 0.001 0.000 0.245 44 D C 1.013 177.363 176.300 0.084 0.000 1.224 44 D CA -0.053 53.983 54.000 0.061 0.000 0.879 44 D CB 1.436 42.265 40.800 0.048 0.000 1.057 44 D HN 0.433 nan 8.370 nan 0.000 0.491 45 Q N 2.488 122.337 119.800 0.081 0.000 2.500 45 Q HA -0.057 4.284 4.340 0.001 0.000 0.213 45 Q C 0.928 177.007 176.000 0.131 0.000 0.974 45 Q CA 0.582 56.447 55.803 0.104 0.000 0.918 45 Q CB 0.325 29.117 28.738 0.090 0.000 0.980 45 Q HN 0.610 nan 8.270 nan 0.000 0.505 46 A N -0.540 122.346 122.820 0.110 0.000 2.431 46 A HA 0.478 4.798 4.320 0.001 0.000 0.239 46 A C 0.869 178.510 177.584 0.094 0.000 1.230 46 A CA 0.257 52.358 52.037 0.106 0.000 0.928 46 A CB 0.308 19.360 19.000 0.086 0.000 1.006 46 A HN 0.185 nan 8.150 nan 0.000 0.520 47 A N 0.193 123.069 122.820 0.092 0.000 2.407 47 A HA 0.463 4.783 4.320 0.001 0.000 0.248 47 A C 1.319 178.964 177.584 0.102 0.000 1.082 47 A CA 0.713 52.800 52.037 0.083 0.000 0.785 47 A CB 0.107 19.149 19.000 0.070 0.000 1.020 47 A HN 0.700 nan 8.150 nan 0.000 0.489 48 T N -1.123 113.485 114.554 0.090 0.000 2.978 48 T HA 0.484 4.835 4.350 0.001 0.000 0.248 48 T C 0.704 175.471 174.700 0.113 0.000 1.018 48 T CA 0.627 62.787 62.100 0.100 0.000 1.026 48 T CB -0.124 68.787 68.868 0.072 0.000 1.032 48 T HN 1.232 nan 8.240 nan 0.000 0.485 49 A N 0.712 123.593 122.820 0.101 0.000 2.309 49 A HA 0.609 4.930 4.320 0.001 0.000 0.298 49 A C 0.629 178.308 177.584 0.158 0.000 1.165 49 A CA -0.730 51.378 52.037 0.119 0.000 0.821 49 A CB 0.285 19.334 19.000 0.082 0.000 1.102 49 A HN 0.322 nan 8.150 nan 0.000 0.500 50 Y N 2.794 123.148 120.300 0.090 0.000 2.165 50 Y HA -0.249 4.302 4.550 0.001 0.000 0.286 50 Y C 1.806 177.776 175.900 0.116 0.000 1.155 50 Y CA 2.662 60.839 58.100 0.128 0.000 1.164 50 Y CB -0.013 38.533 38.460 0.144 0.000 0.978 50 Y HN 0.767 nan 8.280 nan 0.000 0.513 51 N N 0.393 119.157 118.700 0.106 0.000 2.364 51 N HA -0.163 4.577 4.740 0.001 0.000 0.183 51 N C 0.761 176.247 175.510 -0.039 0.000 1.022 51 N CA 1.679 54.740 53.050 0.018 0.000 0.883 51 N CB -0.495 38.033 38.487 0.067 0.000 0.965 51 N HN 0.621 nan 8.380 nan 0.000 0.438 52 N N -0.620 118.070 118.700 -0.018 0.000 2.220 52 N HA 0.095 4.836 4.740 0.001 0.000 0.195 52 N C 1.241 176.738 175.510 -0.021 0.000 1.123 52 N CA -0.222 52.821 53.050 -0.012 0.000 0.874 52 N CB 0.451 38.949 38.487 0.018 0.000 0.995 52 N HN -0.010 nan 8.380 nan 0.000 0.498 53 L N 0.999 122.191 121.223 -0.052 0.000 2.109 53 L HA 0.082 4.423 4.340 0.001 0.000 0.207 53 L C 0.298 177.156 176.870 -0.021 0.000 1.086 53 L CA 0.984 55.813 54.840 -0.017 0.000 0.760 53 L CB 0.147 42.208 42.059 0.003 0.000 0.910 53 L HN -0.042 nan 8.230 nan 0.000 0.437 54 V N -2.881 116.950 119.914 -0.138 0.000 2.971 54 V HA 0.522 4.643 4.120 0.001 0.000 0.309 54 V C -0.824 175.172 176.094 -0.163 0.000 1.130 54 V CA -0.955 61.269 62.300 -0.127 0.000 0.964 54 V CB 1.655 33.360 31.823 -0.196 0.000 1.029 54 V HN 0.144 nan 8.190 nan 0.000 0.427 55 K N 2.833 123.158 120.400 -0.125 0.000 2.578 55 K HA 0.683 5.004 4.320 0.001 0.000 0.250 55 K C -1.701 174.828 176.600 -0.119 0.000 0.955 55 K CA -0.564 55.657 56.287 -0.110 0.000 0.825 55 K CB 2.309 34.770 32.500 -0.064 0.000 1.151 55 K HN 0.752 nan 8.250 nan 0.000 0.432 56 V N 4.782 124.612 119.914 -0.141 0.000 2.461 56 V HA 0.273 4.393 4.120 0.001 0.000 0.275 56 V C -0.100 175.942 176.094 -0.085 0.000 1.047 56 V CA -0.335 61.883 62.300 -0.136 0.000 0.955 56 V CB 0.991 32.713 31.823 -0.167 0.000 0.988 56 V HN 0.725 nan 8.190 nan 0.000 0.471 57 K N 2.854 123.214 120.400 -0.067 0.000 2.238 57 K HA 0.379 4.700 4.320 0.001 0.000 0.239 57 K C 0.694 177.269 176.600 -0.042 0.000 0.987 57 K CA -0.660 55.598 56.287 -0.048 0.000 0.857 57 K CB 1.118 33.593 32.500 -0.040 0.000 1.154 57 K HN 0.685 nan 8.250 nan 0.000 0.439 58 N N 0.059 118.739 118.700 -0.033 0.000 2.446 58 N HA 0.037 4.778 4.740 0.001 0.000 0.179 58 N C -0.417 175.081 175.510 -0.019 0.000 1.054 58 N CA 0.145 53.181 53.050 -0.024 0.000 0.905 58 N CB 0.494 38.970 38.487 -0.019 0.000 0.973 58 N HN 0.461 nan 8.380 nan 0.000 0.448 59 A N -1.111 121.694 122.820 -0.026 0.000 2.599 59 A HA 0.752 5.073 4.320 0.001 0.000 0.294 59 A C -1.532 176.021 177.584 -0.051 0.000 1.055 59 A CA -0.622 51.398 52.037 -0.029 0.000 0.683 59 A CB 0.444 19.428 19.000 -0.026 0.000 1.278 59 A HN 0.372 nan 8.150 nan 0.000 0.412 60 A N 0.761 123.541 122.820 -0.067 0.000 2.354 60 A HA 0.593 4.914 4.320 0.001 0.000 0.269 60 A C -0.590 176.868 177.584 -0.211 0.000 1.109 60 A CA -0.313 51.664 52.037 -0.101 0.000 0.800 60 A CB 0.160 19.119 19.000 -0.068 0.000 1.045 60 A HN 0.619 nan 8.150 nan 0.000 0.489 61 D N 2.218 122.483 120.400 -0.224 0.000 2.411 61 D HA 0.356 4.997 4.640 0.001 0.000 0.225 61 D C -0.392 175.529 176.300 -0.632 0.000 1.156 61 D CA 0.258 54.061 54.000 -0.330 0.000 0.874 61 D CB 1.262 41.949 40.800 -0.189 0.000 1.034 61 D HN 0.168 nan 8.370 nan 0.000 0.502 62 V N 1.502 120.805 119.914 -1.019 0.000 2.617 62 V HA 0.455 4.575 4.120 0.001 0.000 0.298 62 V C 0.447 175.813 176.094 -1.213 0.000 1.048 62 V CA -0.414 60.894 62.300 -1.655 0.000 0.964 62 V CB 1.928 32.688 31.823 -1.772 0.000 1.004 62 V HN 0.419 nan 8.190 nan 0.000 0.466 63 S N 2.430 117.622 115.700 -0.846 0.000 2.547 63 S HA 0.838 5.309 4.470 0.001 0.000 0.281 63 S C -1.323 173.176 174.600 -0.167 0.000 1.118 63 S CA -0.429 57.535 58.200 -0.393 0.000 0.947 63 S CB 1.691 64.772 63.200 -0.198 0.000 1.053 63 S HN 0.504 nan 8.310 nan 0.000 0.482 64 V N 3.108 122.985 119.914 -0.062 0.000 2.888 64 V HA 0.697 4.818 4.120 0.001 0.000 0.309 64 V C -0.426 175.720 176.094 0.086 0.000 1.114 64 V CA -0.652 61.692 62.300 0.072 0.000 0.940 64 V CB 2.221 34.156 31.823 0.186 0.000 1.021 64 V HN 0.881 nan 8.190 nan 0.000 0.426 65 S N 2.261 118.016 115.700 0.092 0.000 2.634 65 S HA 0.901 5.372 4.470 0.001 0.000 0.296 65 S C -1.403 173.297 174.600 0.167 0.000 1.104 65 S CA -0.654 57.517 58.200 -0.048 0.000 0.920 65 S CB 2.140 65.260 63.200 -0.135 0.000 1.111 65 S HN 0.908 nan 8.310 nan 0.000 0.493 66 W N 0.363 121.645 121.300 -0.031 0.000 3.025 66 W HA 0.735 5.395 4.660 0.001 0.000 0.343 66 W C -1.702 174.774 176.519 -0.072 0.000 1.246 66 W CA -0.567 56.765 57.345 -0.022 0.000 1.178 66 W CB 0.658 30.102 29.460 -0.028 0.000 1.463 66 W HN 0.404 nan 8.180 nan 0.000 0.578 67 N N 1.154 119.921 118.700 0.112 0.000 2.277 67 N HA 0.612 5.353 4.740 0.001 0.000 0.286 67 N C -2.330 173.004 175.510 -0.293 0.000 1.140 67 N CA -0.670 52.235 53.050 -0.242 0.000 0.799 67 N CB 2.589 40.849 38.487 -0.378 0.000 1.596 67 N HN 0.616 nan 8.380 nan 0.000 0.473 68 L N 1.108 122.010 121.223 -0.535 0.000 2.376 68 L HA 0.525 4.865 4.340 0.001 0.000 0.275 68 L C -0.977 175.578 176.870 -0.525 0.000 0.987 68 L CA -0.358 54.272 54.840 -0.349 0.000 0.828 68 L CB 1.127 43.136 42.059 -0.084 0.000 1.249 68 L HN 0.667 nan 8.230 nan 0.000 0.409 69 W N 2.580 123.921 121.300 0.070 0.000 3.103 69 W HA 0.398 5.058 4.660 0.001 0.000 0.325 69 W C -0.098 176.446 176.519 0.042 0.000 1.170 69 W CA -0.372 57.003 57.345 0.050 0.000 1.712 69 W CB 0.306 29.792 29.460 0.044 0.000 1.068 69 W HN 0.432 nan 8.180 nan 0.000 0.592 70 N N -0.118 118.696 118.700 0.189 0.000 2.478 70 N HA 0.564 5.305 4.740 0.001 0.000 0.291 70 N C -0.149 175.408 175.510 0.077 0.000 1.090 70 N CA 0.329 53.456 53.050 0.128 0.000 0.911 70 N CB 1.970 40.535 38.487 0.130 0.000 1.546 70 N HN 0.100 nan 8.380 nan 0.000 0.500 71 G N 0.990 109.825 108.800 0.057 0.000 2.592 71 G HA2 -0.111 3.849 3.960 0.001 0.000 0.684 71 G HA3 -0.111 3.849 3.960 0.001 0.000 0.684 71 G C -1.603 173.314 174.900 0.028 0.000 1.291 71 G CA -0.932 44.191 45.100 0.038 0.000 0.891 71 G HN 0.597 nan 8.290 nan 0.000 0.544 72 D N 0.368 120.780 120.400 0.021 0.000 2.302 72 D HA 0.508 5.148 4.640 0.001 0.000 0.248 72 D C 1.421 177.732 176.300 0.018 0.000 1.094 72 D CA 0.484 54.494 54.000 0.018 0.000 0.897 72 D CB 1.453 42.262 40.800 0.014 0.000 1.200 72 D HN 0.990 nan 8.370 nan 0.000 0.429 73 A N 2.902 125.737 122.820 0.024 0.000 2.239 73 A HA 0.352 4.672 4.320 0.001 0.000 0.209 73 A C 1.236 178.842 177.584 0.035 0.000 1.171 73 A CA 0.996 53.058 52.037 0.041 0.000 0.768 73 A CB -0.819 18.220 19.000 0.065 0.000 0.790 73 A HN 0.948 nan 8.150 nan 0.000 0.478 74 G N -1.294 107.518 108.800 0.019 0.000 2.698 74 G HA2 -0.193 3.767 3.960 0.001 0.000 0.233 74 G HA3 -0.193 3.767 3.960 0.001 0.000 0.233 74 G C 0.748 175.657 174.900 0.015 0.000 1.352 74 G CA 0.665 45.770 45.100 0.008 0.000 0.879 74 G HN 1.331 nan 8.290 nan 0.000 0.567 75 T N -4.409 110.147 114.554 0.003 0.000 3.026 75 T HA 0.485 4.836 4.350 0.001 0.000 0.245 75 T C 0.993 175.694 174.700 0.002 0.000 1.004 75 T CA 1.719 63.822 62.100 0.004 0.000 1.069 75 T CB 0.510 69.373 68.868 -0.009 0.000 1.005 75 T HN 1.142 nan 8.240 nan 0.000 0.472 76 T N 1.967 116.511 114.554 -0.015 0.000 2.876 76 T HA 0.793 5.143 4.350 0.001 0.000 0.289 76 T C -0.971 173.711 174.700 -0.030 0.000 1.014 76 T CA -0.570 61.510 62.100 -0.034 0.000 0.986 76 T CB 1.734 70.558 68.868 -0.074 0.000 1.021 76 T HN 0.550 nan 8.240 nan 0.000 0.458 77 A N 2.969 125.788 122.820 -0.001 0.000 2.337 77 A HA 0.836 5.156 4.320 0.001 0.000 0.329 77 A C -0.544 177.056 177.584 0.026 0.000 1.146 77 A CA -0.767 51.274 52.037 0.006 0.000 0.800 77 A CB 0.922 20.025 19.000 0.173 0.000 1.220 77 A HN 0.758 nan 8.150 nan 0.000 0.472 78 K N 1.608 121.980 120.400 -0.046 0.000 2.469 78 K HA 0.574 4.895 4.320 0.001 0.000 0.254 78 K C -1.416 175.164 176.600 -0.035 0.000 0.939 78 K CA -0.749 55.543 56.287 0.007 0.000 0.812 78 K CB 2.147 34.593 32.500 -0.091 0.000 1.301 78 K HN 0.488 nan 8.250 nan 0.000 0.433 79 I N 3.715 124.293 120.570 0.014 0.000 2.354 79 I HA 0.359 4.530 4.170 0.001 0.000 0.292 79 I C -0.385 175.607 176.117 -0.208 0.000 0.989 79 I CA -0.602 60.589 61.300 -0.182 0.000 1.188 79 I CB 0.995 38.743 38.000 -0.420 0.000 1.342 79 I HN 0.443 nan 8.210 nan 0.000 0.457 80 L N 6.689 127.818 121.223 -0.158 0.000 2.329 80 L HA 0.576 4.916 4.340 0.001 0.000 0.279 80 L C -0.542 176.281 176.870 -0.079 0.000 1.014 80 L CA -0.669 54.103 54.840 -0.113 0.000 0.814 80 L CB 2.002 44.017 42.059 -0.072 0.000 1.257 80 L HN 0.318 nan 8.230 nan 0.000 0.424 81 L N 4.333 125.520 121.223 -0.059 0.000 2.324 81 L HA 0.403 4.743 4.340 0.001 0.000 0.274 81 L C -0.322 176.613 176.870 0.108 0.000 1.012 81 L CA -0.539 54.312 54.840 0.019 0.000 0.859 81 L CB 0.990 42.982 42.059 -0.112 0.000 1.224 81 L HN 0.696 nan 8.230 nan 0.000 0.429 82 N N 2.964 121.737 118.700 0.122 0.000 2.754 82 N HA -0.201 4.539 4.740 0.001 0.000 0.248 82 N C 0.984 176.523 175.510 0.049 0.000 1.093 82 N CA 1.213 54.321 53.050 0.096 0.000 0.699 82 N CB -0.990 37.576 38.487 0.131 0.000 1.016 82 N HN 1.092 nan 8.380 nan 0.000 0.552 83 G N -1.320 107.493 108.800 0.022 0.000 2.205 83 G HA2 -0.363 3.597 3.960 0.001 0.000 0.261 83 G HA3 -0.363 3.597 3.960 0.001 0.000 0.261 83 G C -0.043 174.850 174.900 -0.012 0.000 0.980 83 G CA 0.761 45.861 45.100 0.000 0.000 0.632 83 G HN 0.571 nan 8.290 nan 0.000 0.533 84 K N 1.495 121.891 120.400 -0.006 0.000 2.183 84 K HA 0.402 4.722 4.320 0.001 0.000 0.274 84 K C 0.063 176.627 176.600 -0.060 0.000 1.009 84 K CA -0.500 55.773 56.287 -0.022 0.000 0.888 84 K CB 1.027 33.529 32.500 0.003 0.000 1.078 84 K HN 0.389 nan 8.250 nan 0.000 0.459 85 E N 2.732 122.889 120.200 -0.072 0.000 2.366 85 E HA 0.088 4.438 4.350 0.001 0.000 0.266 85 E C -0.305 176.220 176.600 -0.126 0.000 1.015 85 E CA 0.080 56.418 56.400 -0.104 0.000 0.906 85 E CB 0.691 30.333 29.700 -0.097 0.000 0.979 85 E HN 0.648 nan 8.360 nan 0.000 0.443 86 A N 4.921 127.624 122.820 -0.195 0.000 2.508 86 A HA 0.191 4.512 4.320 0.001 0.000 0.250 86 A C -0.683 176.778 177.584 -0.204 0.000 1.208 86 A CA -0.348 51.544 52.037 -0.242 0.000 0.960 86 A CB 0.193 18.948 19.000 -0.409 0.000 1.099 86 A HN 0.734 nan 8.150 nan 0.000 0.542 87 W N -0.435 120.630 121.300 -0.391 0.000 3.298 87 W HA 0.473 5.133 4.660 0.001 0.000 0.302 87 W C -1.407 174.992 176.519 -0.199 0.000 1.255 87 W CA 0.277 57.450 57.345 -0.286 0.000 1.196 87 W CB 0.854 30.076 29.460 -0.397 0.000 1.364 87 W HN 0.382 nan 8.180 nan 0.000 0.566 88 S N 3.147 118.182 115.700 -1.109 0.000 2.533 88 S HA 0.947 5.418 4.470 0.001 0.000 0.271 88 S C -0.829 172.861 174.600 -1.517 0.000 1.143 88 S CA -0.245 57.349 58.200 -1.009 0.000 0.891 88 S CB 1.678 64.587 63.200 -0.486 0.000 1.105 88 S HN 1.469 nan 8.310 nan 0.000 0.468 89 G N 0.661 108.829 108.800 -1.054 0.000 2.576 89 G HA2 0.687 4.648 3.960 0.001 0.000 0.290 89 G HA3 0.687 4.648 3.960 0.001 0.000 0.290 89 G C -3.699 171.113 174.900 -0.146 0.000 1.442 89 G CA -1.170 43.573 45.100 -0.594 0.000 0.792 89 G HN 0.586 nan 8.290 nan 0.000 0.491 90 P HA 0.274 nan 4.420 nan 0.000 0.268 90 P C -0.117 177.263 177.300 0.134 0.000 1.204 90 P CA 0.041 63.162 63.100 0.035 0.000 0.768 90 P CB 1.375 33.093 31.700 0.030 0.000 0.842 91 S N 1.563 117.333 115.700 0.117 0.000 3.158 91 S HA 0.148 4.618 4.470 0.001 0.000 0.215 91 S C 1.132 175.804 174.600 0.121 0.000 1.359 91 S CA -0.306 57.999 58.200 0.176 0.000 0.974 91 S CB -0.996 62.286 63.200 0.136 0.000 1.336 91 S HN 0.483 nan 8.310 nan 0.000 0.488 92 T N 0.319 114.941 114.554 0.113 0.000 3.067 92 T HA 0.326 4.677 4.350 0.001 0.000 0.261 92 T C 0.936 175.663 174.700 0.046 0.000 1.110 92 T CA 0.332 62.471 62.100 0.064 0.000 1.113 92 T CB 0.142 69.041 68.868 0.051 0.000 0.917 92 T HN 0.552 nan 8.240 nan 0.000 0.499 93 G N 0.489 109.322 108.800 0.055 0.000 2.766 93 G HA2 0.463 4.424 3.960 0.001 0.000 0.288 93 G HA3 0.463 4.424 3.960 0.001 0.000 0.288 93 G C 0.578 175.489 174.900 0.018 0.000 1.408 93 G CA -0.079 45.028 45.100 0.011 0.000 0.852 93 G HN 0.106 nan 8.290 nan 0.000 0.487 94 S N -1.204 114.471 115.700 -0.042 0.000 2.481 94 S HA 0.179 4.649 4.470 0.001 0.000 0.231 94 S C 0.956 175.476 174.600 -0.134 0.000 0.996 94 S CA 0.831 58.985 58.200 -0.078 0.000 0.942 94 S CB -0.023 63.089 63.200 -0.147 0.000 0.768 94 S HN 0.444 nan 8.310 nan 0.000 0.520 95 S N -0.265 115.316 115.700 -0.199 0.000 2.568 95 S HA 0.837 5.308 4.470 0.001 0.000 0.293 95 S C -0.107 174.154 174.600 -0.564 0.000 1.089 95 S CA -0.409 57.557 58.200 -0.391 0.000 0.945 95 S CB 1.895 64.890 63.200 -0.342 0.000 1.077 95 S HN 0.723 nan 8.310 nan 0.000 0.485 96 G N 0.378 108.423 108.800 -1.258 0.000 2.623 96 G HA2 0.640 4.600 3.960 0.001 0.000 0.290 96 G HA3 0.640 4.600 3.960 0.001 0.000 0.290 96 G C -1.643 172.229 174.900 -1.713 0.000 1.437 96 G CA -0.505 43.752 45.100 -1.405 0.000 0.798 96 G HN 0.603 nan 8.290 nan 0.000 0.488 97 T N -0.238 113.733 114.554 -0.973 0.000 2.893 97 T HA 0.770 5.120 4.350 0.001 0.000 0.293 97 T C -0.447 174.039 174.700 -0.356 0.000 1.027 97 T CA -0.033 61.721 62.100 -0.577 0.000 0.988 97 T CB 1.765 70.443 68.868 -0.317 0.000 1.043 97 T HN 1.377 nan 8.240 nan 0.000 0.461 98 A N 3.141 125.773 122.820 -0.313 0.000 2.393 98 A HA 0.810 5.130 4.320 0.001 0.000 0.306 98 A C -0.918 176.438 177.584 -0.380 0.000 1.050 98 A CA -0.899 50.721 52.037 -0.694 0.000 0.724 98 A CB 0.990 19.123 19.000 -1.445 0.000 1.248 98 A HN 0.703 nan 8.150 nan 0.000 0.424 99 N N 1.660 120.190 118.700 -0.283 0.000 2.399 99 N HA 0.734 5.474 4.740 0.001 0.000 0.280 99 N C -1.213 174.316 175.510 0.032 0.000 1.008 99 N CA 0.048 52.999 53.050 -0.164 0.000 0.894 99 N CB 1.730 40.161 38.487 -0.094 0.000 1.273 99 N HN 0.651 nan 8.380 nan 0.000 0.486 100 F N -1.055 118.792 119.950 -0.171 0.000 2.715 100 F HA 0.630 5.157 4.527 0.001 0.000 0.318 100 F C -0.744 174.980 175.800 -0.128 0.000 1.141 100 F CA -1.173 56.793 58.000 -0.057 0.000 0.950 100 F CB 1.508 40.520 39.000 0.019 0.000 1.374 100 F HN -0.089 nan 8.300 nan 0.000 0.477 101 K N 1.048 121.494 120.400 0.078 0.000 2.208 101 K HA 0.778 5.098 4.320 0.001 0.000 0.247 101 K C -1.660 174.951 176.600 0.018 0.000 0.953 101 K CA -1.193 55.059 56.287 -0.060 0.000 0.837 101 K CB 2.658 35.144 32.500 -0.024 0.000 1.131 101 K HN 0.521 nan 8.250 nan 0.000 0.431 102 V N 3.414 123.280 119.914 -0.080 0.000 2.409 102 V HA 0.083 4.204 4.120 0.001 0.000 0.290 102 V C 0.482 176.561 176.094 -0.024 0.000 1.017 102 V CA -0.868 61.397 62.300 -0.058 0.000 0.841 102 V CB 1.206 32.943 31.823 -0.143 0.000 1.003 102 V HN 0.888 nan 8.190 nan 0.000 0.426 103 N N 3.477 122.182 118.700 0.008 0.000 2.412 103 N HA 0.013 4.753 4.740 0.001 0.000 0.184 103 N C 0.289 175.832 175.510 0.055 0.000 1.101 103 N CA 0.007 53.071 53.050 0.023 0.000 0.881 103 N CB 0.927 39.426 38.487 0.020 0.000 0.969 103 N HN 0.639 nan 8.380 nan 0.000 0.459 104 K N 0.398 120.857 120.400 0.100 0.000 2.270 104 K HA 0.494 4.815 4.320 0.001 0.000 0.255 104 K C -0.258 176.484 176.600 0.238 0.000 0.936 104 K CA -0.706 55.673 56.287 0.154 0.000 0.809 104 K CB 1.972 34.581 32.500 0.182 0.000 1.131 104 K HN 0.055 nan 8.250 nan 0.000 0.427 105 G N 1.027 109.934 108.800 0.179 0.000 2.507 105 G HA2 0.603 4.564 3.960 0.001 0.000 0.271 105 G HA3 0.603 4.564 3.960 0.001 0.000 0.271 105 G C -0.184 174.803 174.900 0.146 0.000 1.189 105 G CA 0.114 45.329 45.100 0.192 0.000 0.859 105 G HN 0.875 nan 8.290 nan 0.000 0.542 106 G N -0.332 108.544 108.800 0.126 0.000 2.369 106 G HA2 0.338 4.299 3.960 0.001 0.000 0.295 106 G HA3 0.338 4.299 3.960 0.001 0.000 0.295 106 G C -1.306 173.528 174.900 -0.110 0.000 1.298 106 G CA -1.129 43.924 45.100 -0.078 0.000 0.940 106 G HN 0.708 nan 8.290 nan 0.000 0.536 107 R N -0.408 119.965 120.500 -0.211 0.000 2.255 107 R HA 0.676 5.017 4.340 0.001 0.000 0.326 107 R C -1.172 174.998 176.300 -0.218 0.000 0.986 107 R CA -0.295 55.749 56.100 -0.093 0.000 0.847 107 R CB 0.780 31.050 30.300 -0.049 0.000 1.111 107 R HN 0.478 nan 8.270 nan 0.000 0.452 108 Y N 0.806 121.139 120.300 0.056 0.000 2.429 108 Y HA 0.300 4.851 4.550 0.001 0.000 0.342 108 Y C 0.149 176.078 175.900 0.047 0.000 1.004 108 Y CA -0.996 57.135 58.100 0.052 0.000 1.075 108 Y CB 1.817 40.318 38.460 0.068 0.000 1.214 108 Y HN 0.218 nan 8.280 nan 0.000 0.455 109 Q N 3.899 123.812 119.800 0.188 0.000 2.423 109 Q HA 0.185 4.525 4.340 0.001 0.000 0.235 109 Q C -0.409 175.662 176.000 0.117 0.000 1.100 109 Q CA -0.135 55.738 55.803 0.117 0.000 0.908 109 Q CB 1.107 29.888 28.738 0.071 0.000 1.312 109 Q HN 0.592 nan 8.270 nan 0.000 0.497 110 M N 2.934 122.603 119.600 0.115 0.000 2.233 110 M HA 0.245 4.725 4.480 0.001 0.000 0.355 110 M C -0.927 175.400 176.300 0.044 0.000 1.191 110 M CA 0.176 55.526 55.300 0.083 0.000 1.101 110 M CB 0.729 33.399 32.600 0.117 0.000 1.592 110 M HN 0.547 nan 8.290 nan 0.000 0.461 111 Q N 2.699 122.499 119.800 0.001 0.000 2.421 111 Q HA 0.643 4.983 4.340 0.001 0.000 0.280 111 Q C -1.476 174.469 176.000 -0.090 0.000 1.085 111 Q CA -0.972 54.814 55.803 -0.028 0.000 0.807 111 Q CB 3.062 31.782 28.738 -0.030 0.000 1.405 111 Q HN 0.562 nan 8.270 nan 0.000 0.419 112 V N 1.192 121.026 119.914 -0.132 0.000 2.398 112 V HA 0.757 4.878 4.120 0.001 0.000 0.286 112 V C -0.721 175.210 176.094 -0.273 0.000 1.026 112 V CA -0.472 61.652 62.300 -0.294 0.000 0.868 112 V CB 1.329 32.886 31.823 -0.444 0.000 0.982 112 V HN 0.821 nan 8.190 nan 0.000 0.443 113 A N 6.241 128.898 122.820 -0.271 0.000 2.342 113 A HA 0.889 5.210 4.320 0.001 0.000 0.323 113 A C -0.976 176.480 177.584 -0.213 0.000 1.125 113 A CA -0.571 51.350 52.037 -0.194 0.000 0.785 113 A CB 1.011 19.935 19.000 -0.128 0.000 1.221 113 A HN 0.782 nan 8.150 nan 0.000 0.463 114 L N 1.865 122.990 121.223 -0.164 0.000 2.313 114 L HA 0.505 4.845 4.340 0.001 0.000 0.283 114 L C -0.764 176.061 176.870 -0.074 0.000 1.013 114 L CA -0.517 54.249 54.840 -0.122 0.000 0.816 114 L CB 1.398 43.400 42.059 -0.096 0.000 1.236 114 L HN 0.734 nan 8.230 nan 0.000 0.419 115 c N 2.237 120.800 118.600 -0.061 0.000 2.667 115 c HA 0.765 5.336 4.570 0.001 0.000 0.323 115 c C 0.001 174.070 174.090 -0.034 0.000 1.214 115 c CA -0.716 55.584 56.329 -0.048 0.000 1.721 115 c CB 1.508 43.984 42.510 -0.056 0.000 2.275 115 c HN 0.958 nan 8.230 nan 0.000 0.491 116 N N -0.061 118.622 118.700 -0.028 0.000 3.418 116 N HA 0.523 5.263 4.740 0.001 0.000 0.316 116 N C 0.247 175.744 175.510 -0.022 0.000 1.601 116 N CA -0.147 52.890 53.050 -0.021 0.000 0.805 116 N CB 0.284 38.764 38.487 -0.013 0.000 1.873 116 N HN 0.536 nan 8.380 nan 0.000 0.615 117 A N -0.807 122.003 122.820 -0.017 0.000 2.019 117 A HA -0.105 4.215 4.320 0.001 0.000 0.219 117 A C 0.891 178.466 177.584 -0.016 0.000 1.164 117 A CA 1.705 53.732 52.037 -0.017 0.000 0.644 117 A CB -0.777 18.215 19.000 -0.014 0.000 0.805 117 A HN 0.655 nan 8.150 nan 0.000 0.449 118 D N -1.229 119.163 120.400 -0.014 0.000 2.348 118 D HA 0.343 4.983 4.640 0.001 0.000 0.211 118 D C 1.076 177.367 176.300 -0.015 0.000 0.998 118 D CA 1.335 55.328 54.000 -0.012 0.000 0.873 118 D CB 0.529 41.323 40.800 -0.009 0.000 0.925 118 D HN 0.562 nan 8.370 nan 0.000 0.524 119 G N -0.987 107.802 108.800 -0.019 0.000 2.340 119 G HA2 0.048 4.008 3.960 0.001 0.000 0.282 119 G HA3 0.048 4.008 3.960 0.001 0.000 0.282 119 G C -1.325 173.559 174.900 -0.028 0.000 1.312 119 G CA -0.621 44.466 45.100 -0.023 0.000 0.942 119 G HN 0.183 nan 8.290 nan 0.000 0.495 120 c N -0.514 118.067 118.600 -0.032 0.000 2.529 120 c HA 0.921 5.492 4.570 0.001 0.000 0.329 120 c C 0.149 174.218 174.090 -0.036 0.000 1.194 120 c CA -0.393 55.912 56.329 -0.041 0.000 1.779 120 c CB 1.502 43.982 42.510 -0.050 0.000 2.322 120 c HN 0.881 nan 8.230 nan 0.000 0.500 121 T N 2.009 116.537 114.554 -0.044 0.000 2.906 121 T HA 0.604 4.955 4.350 0.001 0.000 0.302 121 T C -0.242 174.427 174.700 -0.052 0.000 1.002 121 T CA -0.032 62.047 62.100 -0.036 0.000 0.988 121 T CB 1.155 70.008 68.868 -0.025 0.000 0.972 121 T HN 0.920 nan 8.240 nan 0.000 0.447 122 A N 3.036 125.830 122.820 -0.044 0.000 2.309 122 A HA 0.751 5.072 4.320 0.001 0.000 0.298 122 A C 0.853 178.417 177.584 -0.033 0.000 1.165 122 A CA -0.688 51.317 52.037 -0.053 0.000 0.821 122 A CB 0.347 19.321 19.000 -0.043 0.000 1.102 122 A HN 0.875 nan 8.150 nan 0.000 0.500 123 S N 2.100 117.776 115.700 -0.041 0.000 2.626 123 S HA 0.232 4.702 4.470 0.001 0.000 0.257 123 S C -0.122 174.484 174.600 0.011 0.000 1.288 123 S CA -0.505 57.692 58.200 -0.005 0.000 0.980 123 S CB 0.218 63.418 63.200 0.000 0.000 0.975 123 S HN 0.647 nan 8.310 nan 0.000 0.577 124 D N 0.883 121.303 120.400 0.033 0.000 2.357 124 D HA 0.474 5.114 4.640 0.001 0.000 0.242 124 D C 0.262 176.585 176.300 0.038 0.000 1.153 124 D CA 0.204 54.225 54.000 0.035 0.000 0.918 124 D CB 0.867 41.695 40.800 0.047 0.000 1.181 124 D HN 0.832 nan 8.370 nan 0.000 0.435 125 A N 1.167 124.009 122.820 0.036 0.000 2.388 125 A HA 0.422 4.743 4.320 0.001 0.000 0.257 125 A C 0.140 177.756 177.584 0.054 0.000 1.095 125 A CA 0.020 52.083 52.037 0.042 0.000 0.791 125 A CB 0.366 19.389 19.000 0.039 0.000 1.029 125 A HN 0.389 nan 8.150 nan 0.000 0.489 126 T N 2.119 116.712 114.554 0.065 0.000 2.840 126 T HA 0.314 4.665 4.350 0.001 0.000 0.287 126 T C -0.279 174.470 174.700 0.082 0.000 0.991 126 T CA -0.349 61.794 62.100 0.072 0.000 0.964 126 T CB 0.993 69.909 68.868 0.080 0.000 0.954 126 T HN 0.778 nan 8.240 nan 0.000 0.438 127 E N 3.948 124.192 120.200 0.073 0.000 2.344 127 E HA 0.394 4.745 4.350 0.001 0.000 0.270 127 E C -0.371 176.289 176.600 0.100 0.000 1.021 127 E CA -0.452 55.999 56.400 0.085 0.000 0.887 127 E CB 0.460 30.194 29.700 0.056 0.000 0.997 127 E HN 0.644 nan 8.360 nan 0.000 0.429 128 I N 0.768 121.432 120.570 0.156 0.000 2.646 128 I HA 0.538 4.708 4.170 0.001 0.000 0.299 128 I C -1.149 175.097 176.117 0.214 0.000 1.036 128 I CA -1.218 60.197 61.300 0.192 0.000 1.074 128 I CB 2.068 40.227 38.000 0.265 0.000 1.258 128 I HN 0.132 nan 8.210 nan 0.000 0.430 129 V N 5.651 125.666 119.914 0.167 0.000 2.378 129 V HA 0.369 4.489 4.120 0.001 0.000 0.288 129 V C -0.043 176.150 176.094 0.165 0.000 1.016 129 V CA -0.639 61.749 62.300 0.146 0.000 0.840 129 V CB 1.506 33.358 31.823 0.048 0.000 0.994 129 V HN 0.577 nan 8.190 nan 0.000 0.431 130 V N 4.756 124.799 119.914 0.216 0.000 2.294 130 V HA 0.640 4.760 4.120 0.001 0.000 0.272 130 V C 0.695 176.804 176.094 0.025 0.000 1.027 130 V CA -0.443 61.953 62.300 0.158 0.000 0.823 130 V CB 1.238 33.202 31.823 0.236 0.000 1.030 130 V HN 0.969 nan 8.190 nan 0.000 0.457 131 A N 3.842 126.530 122.820 -0.219 0.000 2.340 131 A HA 0.687 5.008 4.320 0.001 0.000 0.268 131 A C -0.314 177.185 177.584 -0.143 0.000 1.100 131 A CA -0.078 51.562 52.037 -0.661 0.000 0.803 131 A CB 0.746 19.048 19.000 -1.162 0.000 1.043 131 A HN 0.756 nan 8.150 nan 0.000 0.488 132 D N -0.682 119.768 120.400 0.083 0.000 2.655 132 D HA 0.326 4.967 4.640 0.001 0.000 0.229 132 D C 0.905 177.363 176.300 0.264 0.000 1.229 132 D CA 0.406 54.530 54.000 0.206 0.000 0.807 132 D CB 1.557 42.437 40.800 0.132 0.000 1.514 132 D HN 0.488 nan 8.370 nan 0.000 0.444 133 T N -1.133 113.436 114.554 0.024 0.000 3.219 133 T HA -0.088 4.262 4.350 0.001 0.000 0.264 133 T C 0.794 175.581 174.700 0.146 0.000 1.178 133 T CA 0.833 62.910 62.100 -0.039 0.000 1.057 133 T CB -0.190 68.615 68.868 -0.105 0.000 0.919 133 T HN 0.436 nan 8.240 nan 0.000 0.545 134 D N 0.130 120.615 120.400 0.142 0.000 2.360 134 D HA 0.174 4.814 4.640 0.001 0.000 0.210 134 D C 1.647 178.005 176.300 0.097 0.000 1.047 134 D CA 0.503 54.576 54.000 0.123 0.000 0.854 134 D CB -0.579 40.272 40.800 0.085 0.000 0.936 134 D HN 0.530 nan 8.370 nan 0.000 0.514 135 G N 1.075 109.965 108.800 0.151 0.000 2.159 135 G HA2 -0.378 3.582 3.960 0.001 0.000 0.256 135 G HA3 -0.378 3.582 3.960 0.001 0.000 0.256 135 G C 1.126 176.021 174.900 -0.008 0.000 0.977 135 G CA 0.887 46.003 45.100 0.027 0.000 0.652 135 G HN 0.618 nan 8.290 nan 0.000 0.531 136 S N 0.609 116.380 115.700 0.119 0.000 2.493 136 S HA -0.148 4.322 4.470 0.001 0.000 0.243 136 S C 1.788 176.429 174.600 0.069 0.000 0.991 136 S CA 1.688 59.930 58.200 0.069 0.000 0.957 136 S CB -0.604 62.646 63.200 0.085 0.000 0.756 136 S HN 1.133 nan 8.310 nan 0.000 0.521 137 H N 0.099 119.174 119.070 0.008 0.000 2.586 137 H HA 0.473 5.029 4.556 0.001 0.000 0.273 137 H C 0.209 175.519 175.328 -0.030 0.000 0.997 137 H CA -0.545 55.497 56.048 -0.010 0.000 1.177 137 H CB -0.331 29.442 29.762 0.017 0.000 1.471 137 H HN 0.370 nan 8.280 nan 0.000 0.538 138 L N 3.361 124.284 121.223 -0.501 0.000 2.325 138 L HA 0.427 4.767 4.340 0.001 0.000 0.278 138 L C -2.266 174.473 176.870 -0.217 0.000 1.023 138 L CA -2.282 52.318 54.840 -0.399 0.000 0.811 138 L CB 1.995 43.770 42.059 -0.474 0.000 1.249 138 L HN -0.029 nan 8.230 nan 0.000 0.431 139 P HA 0.232 nan 4.420 nan 0.000 0.275 139 P C -2.628 174.592 177.300 -0.132 0.000 1.228 139 P CA -1.576 61.449 63.100 -0.125 0.000 0.786 139 P CB 0.071 31.711 31.700 -0.100 0.000 0.927 140 P HA -0.048 nan 4.420 nan 0.000 0.263 140 P C -0.166 177.057 177.300 -0.127 0.000 1.175 140 P CA 0.252 63.271 63.100 -0.136 0.000 0.761 140 P CB 0.116 31.732 31.700 -0.140 0.000 0.794 141 L N 4.691 125.837 121.223 -0.128 0.000 2.389 141 L HA 0.191 4.532 4.340 0.001 0.000 0.265 141 L C -0.130 176.691 176.870 -0.081 0.000 1.167 141 L CA 0.196 54.974 54.840 -0.104 0.000 1.045 141 L CB -0.732 41.262 42.059 -0.108 0.000 1.351 141 L HN 0.152 nan 8.230 nan 0.000 0.419 142 K N 3.733 124.083 120.400 -0.083 0.000 2.300 142 K HA 0.361 4.681 4.320 0.001 0.000 0.264 142 K C -0.534 176.049 176.600 -0.029 0.000 1.083 142 K CA -0.402 55.849 56.287 -0.061 0.000 0.958 142 K CB 0.828 33.275 32.500 -0.088 0.000 1.318 142 K HN 0.360 nan 8.250 nan 0.000 0.448 143 E N 1.148 121.346 120.200 -0.004 0.000 2.214 143 E HA 0.229 4.579 4.350 0.001 0.000 0.274 143 E C -0.302 176.301 176.600 0.004 0.000 0.977 143 E CA -0.502 55.891 56.400 -0.013 0.000 0.827 143 E CB 1.809 31.491 29.700 -0.030 0.000 1.130 143 E HN 0.312 nan 8.360 nan 0.000 0.394 144 S N 1.292 116.988 115.700 -0.005 0.000 2.572 144 S HA 0.178 4.648 4.470 0.001 0.000 0.279 144 S C 0.661 175.266 174.600 0.008 0.000 1.341 144 S CA -0.505 57.697 58.200 0.002 0.000 1.043 144 S CB 0.295 63.493 63.200 -0.004 0.000 0.887 144 S HN 0.258 nan 8.310 nan 0.000 0.516 145 L N 2.772 124.006 121.223 0.019 0.000 2.456 145 L HA 0.238 4.578 4.340 0.001 0.000 0.272 145 L C 0.052 176.938 176.870 0.028 0.000 1.189 145 L CA -0.039 54.820 54.840 0.031 0.000 0.846 145 L CB -0.031 42.050 42.059 0.037 0.000 1.111 145 L HN 0.459 nan 8.230 nan 0.000 0.475 146 L N 2.134 123.381 121.223 0.040 0.000 2.335 146 L HA 0.434 4.774 4.340 0.001 0.000 0.268 146 L C 0.718 177.624 176.870 0.061 0.000 1.016 146 L CA -0.697 54.167 54.840 0.040 0.000 0.805 146 L CB 1.143 43.221 42.059 0.032 0.000 1.311 146 L HN 0.746 nan 8.230 nan 0.000 0.456 147 E N -0.093 120.141 120.200 0.057 0.000 3.464 147 E HA -0.351 4.000 4.350 0.001 0.000 0.362 147 E C 0.504 177.139 176.600 0.059 0.000 1.544 147 E CA 1.740 58.178 56.400 0.062 0.000 1.816 147 E CB -0.538 29.215 29.700 0.090 0.000 1.767 147 E HN 0.563 nan 8.360 nan 0.000 0.458 148 K N 1.331 121.776 120.400 0.074 0.000 2.404 148 K HA 0.142 4.463 4.320 0.001 0.000 0.194 148 K C 0.020 176.670 176.600 0.084 0.000 1.023 148 K CA -0.153 56.178 56.287 0.073 0.000 1.094 148 K CB -0.106 32.445 32.500 0.086 0.000 0.841 148 K HN 0.212 nan 8.250 nan 0.000 0.523 149 N N 2.751 121.505 118.700 0.091 0.000 2.412 149 N HA -0.010 4.731 4.740 0.001 0.000 0.258 149 N C -0.382 175.173 175.510 0.076 0.000 1.236 149 N CA 0.827 53.940 53.050 0.104 0.000 0.882 149 N CB 0.635 39.185 38.487 0.105 0.000 1.066 149 N HN -0.067 nan 8.380 nan 0.000 0.465 150 K N 2.640 123.093 120.400 0.088 0.000 2.259 150 K HA 0.446 4.766 4.320 0.001 0.000 0.252 150 K C -2.416 174.122 176.600 -0.104 0.000 0.936 150 K CA -1.874 54.393 56.287 -0.034 0.000 0.810 150 K CB 1.963 34.402 32.500 -0.103 0.000 1.143 150 K HN 0.327 nan 8.250 nan 0.000 0.427 151 P HA 0.079 nan 4.420 nan 0.000 0.267 151 P C -1.127 175.989 177.300 -0.307 0.000 1.209 151 P CA 0.216 63.240 63.100 -0.126 0.000 0.763 151 P CB 0.235 31.884 31.700 -0.085 0.000 0.816 152 Y N 1.421 121.737 120.300 0.026 0.000 2.512 152 Y HA 0.393 4.943 4.550 0.001 0.000 0.348 152 Y C 0.749 176.666 175.900 0.029 0.000 0.990 152 Y CA -0.726 57.390 58.100 0.026 0.000 1.033 152 Y CB 2.518 40.994 38.460 0.026 0.000 1.259 152 Y HN 0.182 nan 8.280 nan 0.000 0.461 153 K N 2.055 122.577 120.400 0.203 0.000 2.159 153 K HA 0.331 4.652 4.320 0.001 0.000 0.266 153 K C -0.795 175.879 176.600 0.123 0.000 0.975 153 K CA -1.089 55.275 56.287 0.128 0.000 0.865 153 K CB 1.059 33.612 32.500 0.089 0.000 1.087 153 K HN 0.419 nan 8.250 nan 0.000 0.446 154 Q N 3.221 123.079 119.800 0.096 0.000 2.837 154 Q HA 0.024 4.365 4.340 0.001 0.000 0.235 154 Q C 0.030 176.072 176.000 0.070 0.000 1.348 154 Q CA 0.062 55.913 55.803 0.080 0.000 0.990 154 Q CB -0.242 28.540 28.738 0.074 0.000 1.570 154 Q HN 0.606 nan 8.270 nan 0.000 0.575 155 N N -1.294 117.447 118.700 0.068 0.000 2.197 155 N HA -0.057 4.684 4.740 0.001 0.000 0.228 155 N C 0.725 176.265 175.510 0.051 0.000 1.212 155 N CA 0.160 53.244 53.050 0.057 0.000 0.883 155 N CB 0.337 38.857 38.487 0.055 0.000 1.107 155 N HN 0.140 nan 8.380 nan 0.000 0.519 156 S N -0.603 115.128 115.700 0.051 0.000 2.478 156 S HA 0.250 4.721 4.470 0.001 0.000 0.222 156 S C 1.591 176.217 174.600 0.043 0.000 1.008 156 S CA 0.828 59.053 58.200 0.042 0.000 0.928 156 S CB -0.513 62.708 63.200 0.035 0.000 0.781 156 S HN 0.512 nan 8.310 nan 0.000 0.518 157 G N 0.954 109.785 108.800 0.052 0.000 2.159 157 G HA2 -0.198 3.763 3.960 0.001 0.000 0.256 157 G HA3 -0.198 3.763 3.960 0.001 0.000 0.256 157 G C -0.038 174.900 174.900 0.063 0.000 0.977 157 G CA 0.310 45.445 45.100 0.058 0.000 0.652 157 G HN 0.506 nan 8.290 nan 0.000 0.531 158 K N 0.261 120.694 120.400 0.054 0.000 2.118 158 K HA 0.649 4.969 4.320 0.001 0.000 0.254 158 K C 0.582 177.211 176.600 0.049 0.000 0.961 158 K CA -0.791 55.524 56.287 0.046 0.000 0.876 158 K CB 2.067 34.587 32.500 0.032 0.000 1.077 158 K HN 0.087 nan 8.250 nan 0.000 0.440 159 V N 1.873 121.796 119.914 0.015 0.000 2.637 159 V HA 0.114 4.234 4.120 0.001 0.000 0.296 159 V C 0.079 176.208 176.094 0.058 0.000 1.046 159 V CA -0.371 61.916 62.300 -0.022 0.000 1.066 159 V CB 1.093 32.780 31.823 -0.226 0.000 0.968 159 V HN 0.367 nan 8.190 nan 0.000 0.483 160 V N 4.721 124.697 119.914 0.103 0.000 2.439 160 V HA 0.693 4.814 4.120 0.001 0.000 0.277 160 V C 0.418 176.599 176.094 0.146 0.000 1.008 160 V CA -0.082 62.283 62.300 0.107 0.000 0.846 160 V CB 1.160 33.021 31.823 0.062 0.000 1.031 160 V HN 1.004 nan 8.190 nan 0.000 0.441 161 G N 1.783 110.691 108.800 0.180 0.000 2.685 161 G HA2 0.817 4.778 3.960 0.001 0.000 0.298 161 G HA3 0.817 4.778 3.960 0.001 0.000 0.298 161 G C -1.054 173.950 174.900 0.173 0.000 1.277 161 G CA -0.666 44.531 45.100 0.161 0.000 0.986 161 G HN 0.638 nan 8.290 nan 0.000 0.487 162 S N -1.831 113.938 115.700 0.116 0.000 2.565 162 S HA 0.597 5.068 4.470 0.001 0.000 0.269 162 S C -2.028 172.634 174.600 0.102 0.000 1.153 162 S CA -0.583 57.720 58.200 0.172 0.000 0.835 162 S CB 1.036 64.293 63.200 0.096 0.000 1.122 162 S HN 0.428 nan 8.310 nan 0.000 0.462 163 Y N 1.824 122.140 120.300 0.027 0.000 2.342 163 Y HA 0.595 5.145 4.550 0.001 0.000 0.334 163 Y C -0.288 175.509 175.900 -0.171 0.000 1.067 163 Y CA -0.554 57.522 58.100 -0.041 0.000 1.128 163 Y CB 1.189 39.657 38.460 0.012 0.000 1.200 163 Y HN 0.596 nan 8.280 nan 0.000 0.464 164 F N 4.462 124.335 119.950 -0.128 0.000 2.458 164 F HA 0.635 5.162 4.527 0.001 0.000 0.336 164 F C -0.767 174.855 175.800 -0.295 0.000 1.114 164 F CA -1.247 56.654 58.000 -0.166 0.000 0.987 164 F CB 0.892 39.887 39.000 -0.009 0.000 1.130 164 F HN 0.227 nan 8.300 nan 0.000 0.458 165 V N 3.929 123.244 119.914 -0.998 0.000 2.407 165 V HA 0.355 4.476 4.120 0.001 0.000 0.278 165 V C 1.039 176.631 176.094 -0.838 0.000 1.037 165 V CA -0.418 61.416 62.300 -0.776 0.000 0.900 165 V CB 1.330 32.797 31.823 -0.592 0.000 0.983 165 V HN 1.058 nan 8.190 nan 0.000 0.459 166 E N 4.544 124.422 120.200 -0.536 0.000 2.070 166 E HA -0.229 4.121 4.350 0.001 0.000 0.197 166 E C 1.799 178.309 176.600 -0.149 0.000 1.004 166 E CA 2.161 58.415 56.400 -0.245 0.000 0.805 166 E CB -0.038 29.599 29.700 -0.105 0.000 0.744 166 E HN 1.008 nan 8.360 nan 0.000 0.451 167 A N 0.139 122.891 122.820 -0.115 0.000 2.238 167 A HA 0.138 4.459 4.320 0.001 0.000 0.208 167 A C 1.982 179.503 177.584 -0.105 0.000 1.177 167 A CA 0.729 52.777 52.037 0.019 0.000 0.804 167 A CB -0.361 18.696 19.000 0.094 0.000 0.823 167 A HN 0.407 nan 8.150 nan 0.000 0.482 168 G N -0.236 108.374 108.800 -0.318 0.000 2.679 168 G HA2 0.037 3.998 3.960 0.001 0.000 0.212 168 G HA3 0.037 3.998 3.960 0.001 0.000 0.212 168 G C 1.272 176.017 174.900 -0.258 0.000 1.137 168 G CA 1.106 45.984 45.100 -0.370 0.000 0.787 168 G HN 0.868 nan 8.290 nan 0.000 0.534 169 V N -3.038 116.710 119.914 -0.278 0.000 3.380 169 V HA 0.154 4.274 4.120 0.001 0.000 0.268 169 V C 1.763 177.697 176.094 -0.268 0.000 1.168 169 V CA 0.312 62.462 62.300 -0.250 0.000 1.156 169 V CB -0.984 30.657 31.823 -0.302 0.000 0.785 169 V HN 0.247 nan 8.190 nan 0.000 0.487 170 Y N 2.278 122.547 120.300 -0.051 0.000 2.762 170 Y HA 0.544 5.095 4.550 0.001 0.000 0.218 170 Y C 2.731 178.590 175.900 -0.068 0.000 0.960 170 Y CA 1.199 59.282 58.100 -0.028 0.000 1.070 170 Y CB -1.246 37.202 38.460 -0.020 0.000 1.045 170 Y HN 0.097 nan 8.280 nan 0.000 0.466 171 G N 0.167 109.016 108.800 0.082 0.000 2.476 171 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 171 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 171 G C 1.557 176.301 174.900 -0.260 0.000 1.164 171 G CA 1.126 46.200 45.100 -0.043 0.000 0.768 171 G HN 0.303 nan 8.290 nan 0.000 0.560 172 R N -0.308 119.838 120.500 -0.589 0.000 2.235 172 R HA 0.014 4.355 4.340 0.001 0.000 0.213 172 R C 1.236 177.494 176.300 -0.070 0.000 1.059 172 R CA 0.508 56.264 56.100 -0.573 0.000 0.997 172 R CB -0.226 29.671 30.300 -0.672 0.000 0.884 172 R HN 0.394 nan 8.270 nan 0.000 0.462 173 N N -0.214 118.461 118.700 -0.042 0.000 2.721 173 N HA -0.255 4.485 4.740 0.001 0.000 0.249 173 N C -1.376 174.168 175.510 0.056 0.000 1.072 173 N CA 0.437 53.501 53.050 0.023 0.000 0.710 173 N CB -1.145 37.380 38.487 0.064 0.000 0.993 173 N HN 0.235 nan 8.380 nan 0.000 0.547 174 F N 1.024 120.917 119.950 -0.096 0.000 2.332 174 F HA 0.429 4.956 4.527 0.001 0.000 0.368 174 F C 0.687 176.522 175.800 0.059 0.000 1.110 174 F CA -0.069 57.908 58.000 -0.038 0.000 1.087 174 F CB 0.535 39.475 39.000 -0.099 0.000 1.235 174 F HN 0.149 nan 8.300 nan 0.000 0.470 175 T N 1.350 115.825 114.554 -0.132 0.000 2.944 175 T HA 0.311 4.661 4.350 0.001 0.000 0.284 175 T C 1.159 175.838 174.700 -0.035 0.000 1.010 175 T CA -0.788 61.338 62.100 0.043 0.000 1.025 175 T CB 1.549 70.374 68.868 -0.071 0.000 1.079 175 T HN 0.256 nan 8.240 nan 0.000 0.516 176 V N 1.800 121.647 119.914 -0.112 0.000 2.453 176 V HA -0.210 3.910 4.120 0.001 0.000 0.252 176 V C 2.564 178.530 176.094 -0.213 0.000 1.068 176 V CA 2.357 64.464 62.300 -0.322 0.000 1.070 176 V CB -0.982 30.601 31.823 -0.401 0.000 0.664 176 V HN 1.053 nan 8.190 nan 0.000 0.461 177 D N -0.058 120.230 120.400 -0.186 0.000 2.348 177 D HA -0.187 4.454 4.640 0.001 0.000 0.216 177 D C 1.634 177.826 176.300 -0.180 0.000 0.970 177 D CA 0.763 54.670 54.000 -0.155 0.000 0.889 177 D CB -0.147 40.575 40.800 -0.131 0.000 0.912 177 D HN 0.429 nan 8.370 nan 0.000 0.524 178 K N 0.155 120.369 120.400 -0.311 0.000 2.374 178 K HA 0.231 4.552 4.320 0.001 0.000 0.196 178 K C 0.683 177.146 176.600 -0.228 0.000 1.023 178 K CA -0.187 55.846 56.287 -0.423 0.000 1.103 178 K CB 0.813 32.745 32.500 -0.947 0.000 0.848 178 K HN 0.181 nan 8.250 nan 0.000 0.528 179 I N 4.014 124.543 120.570 -0.069 0.000 2.496 179 I HA 0.036 4.207 4.170 0.001 0.000 0.285 179 I C -1.804 174.354 176.117 0.068 0.000 1.080 179 I CA -1.841 59.541 61.300 0.138 0.000 1.404 179 I CB 0.731 38.789 38.000 0.098 0.000 1.403 179 I HN -0.148 nan 8.210 nan 0.000 0.539 180 P HA 0.119 nan 4.420 nan 0.000 0.220 180 P C 0.616 177.912 177.300 -0.007 0.000 1.806 180 P CA -0.100 63.035 63.100 0.059 0.000 0.976 180 P CB 0.515 32.273 31.700 0.098 0.000 1.952 181 A N 2.824 125.595 122.820 -0.082 0.000 1.997 181 A HA -0.258 4.063 4.320 0.001 0.000 0.221 181 A C 2.246 179.572 177.584 -0.429 0.000 1.172 181 A CA 1.918 53.799 52.037 -0.260 0.000 0.645 181 A CB -0.940 17.847 19.000 -0.354 0.000 0.813 181 A HN 0.529 nan 8.150 nan 0.000 0.454 182 Q N -0.991 118.608 119.800 -0.335 0.000 2.291 182 Q HA -0.100 4.240 4.340 0.001 0.000 0.205 182 Q C 0.337 176.317 176.000 -0.032 0.000 0.970 182 Q CA 1.335 57.030 55.803 -0.179 0.000 0.876 182 Q CB -0.340 28.434 28.738 0.059 0.000 0.935 182 Q HN 0.533 nan 8.270 nan 0.000 0.455 183 N N 0.553 119.255 118.700 0.004 0.000 2.295 183 N HA 0.287 5.028 4.740 0.001 0.000 0.221 183 N C -0.835 174.694 175.510 0.031 0.000 1.129 183 N CA 0.253 53.344 53.050 0.069 0.000 0.836 183 N CB 0.522 39.086 38.487 0.128 0.000 1.040 183 N HN 0.242 nan 8.380 nan 0.000 0.494 184 L N -0.860 120.361 121.223 -0.003 0.000 2.371 184 L HA 0.385 4.726 4.340 0.001 0.000 0.262 184 L C 1.250 178.140 176.870 0.032 0.000 1.006 184 L CA -0.482 54.372 54.840 0.024 0.000 0.818 184 L CB 2.299 44.366 42.059 0.014 0.000 1.354 184 L HN -0.065 nan 8.230 nan 0.000 0.415 185 T N -3.935 110.684 114.554 0.109 0.000 3.000 185 T HA 0.209 4.560 4.350 0.001 0.000 0.248 185 T C 0.273 175.024 174.700 0.085 0.000 1.034 185 T CA 0.304 62.486 62.100 0.136 0.000 1.060 185 T CB 0.061 69.086 68.868 0.262 0.000 0.983 185 T HN 0.510 nan 8.240 nan 0.000 0.482 186 H N 0.059 119.154 119.070 0.042 0.000 2.679 186 H HA 0.734 5.291 4.556 0.001 0.000 0.360 186 H C -1.650 173.679 175.328 0.002 0.000 1.105 186 H CA -1.000 55.078 56.048 0.048 0.000 1.196 186 H CB 1.952 31.769 29.762 0.092 0.000 1.636 186 H HN 0.165 nan 8.280 nan 0.000 0.531 187 L N 3.875 125.145 121.223 0.078 0.000 2.372 187 L HA 0.466 4.806 4.340 0.001 0.000 0.273 187 L C -1.833 175.051 176.870 0.023 0.000 0.989 187 L CA -0.497 54.363 54.840 0.034 0.000 0.841 187 L CB 0.673 42.751 42.059 0.032 0.000 1.225 187 L HN 0.464 nan 8.230 nan 0.000 0.414 188 L N 5.232 126.365 121.223 -0.150 0.000 2.307 188 L HA 0.450 4.790 4.340 0.001 0.000 0.282 188 L C -0.390 176.470 176.870 -0.016 0.000 1.051 188 L CA -0.237 54.464 54.840 -0.231 0.000 0.804 188 L CB 0.958 42.468 42.059 -0.915 0.000 1.197 188 L HN 0.493 nan 8.230 nan 0.000 0.431 189 Y N 1.041 121.373 120.300 0.053 0.000 2.299 189 Y HA 0.363 4.914 4.550 0.001 0.000 0.335 189 Y C 1.352 177.305 175.900 0.087 0.000 1.287 189 Y CA -0.310 57.912 58.100 0.202 0.000 1.424 189 Y CB 1.337 40.001 38.460 0.339 0.000 1.326 189 Y HN 0.674 nan 8.280 nan 0.000 0.567 190 G N 3.546 111.888 108.800 -0.764 0.000 3.337 190 G HA2 0.147 4.108 3.960 0.001 0.000 0.226 190 G HA3 0.147 4.108 3.960 0.001 0.000 0.226 190 G C -1.066 173.651 174.900 -0.306 0.000 1.295 190 G CA 0.014 44.723 45.100 -0.651 0.000 1.427 190 G HN 0.518 nan 8.290 nan 0.000 0.535 191 F N -1.959 118.121 119.950 0.216 0.000 2.145 191 F HA -0.148 4.380 4.527 0.001 0.000 0.508 191 F C 0.073 176.032 175.800 0.266 0.000 1.275 191 F CA -1.368 56.789 58.000 0.262 0.000 1.633 191 F CB -1.311 37.833 39.000 0.241 0.000 2.610 191 F HN 0.025 nan 8.300 nan 0.000 0.724 192 I N 5.816 126.627 120.570 0.402 0.000 2.365 192 I HA 0.366 4.537 4.170 0.001 0.000 0.291 192 I C -1.672 174.498 176.117 0.088 0.000 1.004 192 I CA -2.333 59.079 61.300 0.186 0.000 1.311 192 I CB 1.383 39.336 38.000 -0.078 0.000 1.401 192 I HN 0.204 nan 8.210 nan 0.000 0.491 193 P HA 0.454 nan 4.420 nan 0.000 0.280 193 P C -0.757 176.434 177.300 -0.182 0.000 1.272 193 P CA -0.547 62.475 63.100 -0.130 0.000 0.819 193 P CB 1.786 33.327 31.700 -0.264 0.000 1.122 194 I N 0.365 120.786 120.570 -0.248 0.000 2.404 194 I HA 0.229 4.400 4.170 0.001 0.000 0.293 194 I C 0.502 176.427 176.117 -0.320 0.000 0.992 194 I CA -0.855 60.290 61.300 -0.258 0.000 1.149 194 I CB 1.271 39.039 38.000 -0.387 0.000 1.315 194 I HN 0.252 nan 8.210 nan 0.000 0.446 195 c N 4.626 123.057 118.600 -0.282 0.000 2.679 195 c HA 0.588 5.159 4.570 0.001 0.000 0.417 195 c C 0.845 174.670 174.090 -0.442 0.000 1.302 195 c CA 0.180 56.327 56.329 -0.304 0.000 1.973 195 c CB -0.612 41.774 42.510 -0.206 0.000 2.715 195 c HN 1.026 nan 8.230 nan 0.000 0.628 196 G N 1.994 110.560 108.800 -0.390 0.000 2.238 196 G HA2 0.495 4.456 3.960 0.001 0.000 0.276 196 G HA3 0.495 4.456 3.960 0.001 0.000 0.276 196 G C -0.422 174.316 174.900 -0.271 0.000 1.744 196 G CA -0.037 44.814 45.100 -0.415 0.000 0.912 196 G HN 1.076 nan 8.290 nan 0.000 0.744 197 G N 0.532 109.239 108.800 -0.155 0.000 3.182 197 G HA2 0.476 4.437 3.960 0.001 0.000 0.167 197 G HA3 0.476 4.437 3.960 0.001 0.000 0.167 197 G C 0.217 175.286 174.900 0.283 0.000 1.537 197 G CA -0.589 44.551 45.100 0.067 0.000 1.046 197 G HN 0.735 nan 8.290 nan 0.000 0.580 198 N N 0.852 119.722 118.700 0.283 0.000 2.357 198 N HA 0.223 4.963 4.740 0.001 0.000 0.257 198 N C 1.268 176.792 175.510 0.024 0.000 1.250 198 N CA 1.396 54.502 53.050 0.092 0.000 0.862 198 N CB 0.841 39.349 38.487 0.035 0.000 1.066 198 N HN 1.077 nan 8.380 nan 0.000 0.468 199 G N 1.253 110.061 108.800 0.013 0.000 2.234 199 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 199 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 199 G C 0.787 175.701 174.900 0.023 0.000 0.987 199 G CA 0.523 45.645 45.100 0.038 0.000 0.625 199 G HN 0.578 nan 8.290 nan 0.000 0.532 200 I N -0.890 119.642 120.570 -0.063 0.000 3.718 200 I HA 0.243 4.413 4.170 0.001 0.000 0.297 200 I C 1.017 177.100 176.117 -0.057 0.000 1.220 200 I CA 0.263 61.446 61.300 -0.194 0.000 1.381 200 I CB 0.288 38.009 38.000 -0.464 0.000 1.238 200 I HN 0.039 nan 8.210 nan 0.000 0.448 201 N N 0.940 119.661 118.700 0.035 0.000 2.571 201 N HA 0.088 4.829 4.740 0.001 0.000 0.298 201 N C -0.138 175.475 175.510 0.171 0.000 1.671 201 N CA 0.068 53.168 53.050 0.082 0.000 0.900 201 N CB 0.642 39.150 38.487 0.035 0.000 1.365 201 N HN 0.089 nan 8.380 nan 0.000 0.493 202 D N 0.080 120.514 120.400 0.055 0.000 2.218 202 D HA -0.063 4.578 4.640 0.001 0.000 0.204 202 D C 1.461 177.735 176.300 -0.042 0.000 0.976 202 D CA 1.085 55.049 54.000 -0.060 0.000 0.853 202 D CB 0.267 41.027 40.800 -0.067 0.000 0.939 202 D HN 0.104 nan 8.370 nan 0.000 0.481 203 S N 0.243 115.936 115.700 -0.011 0.000 2.419 203 S HA -0.038 4.433 4.470 0.001 0.000 0.233 203 S C 2.043 176.667 174.600 0.040 0.000 1.016 203 S CA 0.258 58.444 58.200 -0.023 0.000 0.974 203 S CB -0.042 63.101 63.200 -0.095 0.000 0.786 203 S HN 0.302 nan 8.310 nan 0.000 0.492 204 L N 0.924 122.208 121.223 0.103 0.000 2.275 204 L HA -0.037 4.304 4.340 0.001 0.000 0.215 204 L C 2.070 179.047 176.870 0.178 0.000 1.119 204 L CA 0.915 55.864 54.840 0.183 0.000 0.790 204 L CB -0.313 41.909 42.059 0.270 0.000 0.919 204 L HN 0.249 nan 8.230 nan 0.000 0.443 205 K N -0.259 120.182 120.400 0.069 0.000 2.360 205 K HA -0.136 4.184 4.320 0.001 0.000 0.201 205 K C 1.616 178.233 176.600 0.028 0.000 1.046 205 K CA 0.647 56.922 56.287 -0.021 0.000 0.945 205 K CB 0.062 32.433 32.500 -0.214 0.000 0.750 205 K HN 0.234 nan 8.250 nan 0.000 0.464 206 E N 0.403 120.638 120.200 0.058 0.000 2.427 206 E HA 0.001 4.352 4.350 0.001 0.000 0.196 206 E C 0.414 177.075 176.600 0.100 0.000 1.028 206 E CA 0.596 57.043 56.400 0.078 0.000 0.864 206 E CB 0.173 29.936 29.700 0.104 0.000 0.813 206 E HN 0.340 nan 8.360 nan 0.000 0.514 207 I N 2.024 122.664 120.570 0.117 0.000 2.339 207 I HA 0.089 4.259 4.170 0.001 0.000 0.290 207 I C 0.307 176.488 176.117 0.107 0.000 0.994 207 I CA -0.982 60.390 61.300 0.120 0.000 1.191 207 I CB 1.291 39.379 38.000 0.146 0.000 1.343 207 I HN -0.232 nan 8.210 nan 0.000 0.458 208 E N 5.126 125.376 120.200 0.082 0.000 2.729 208 E HA 0.013 4.364 4.350 0.001 0.000 0.246 208 E C 1.238 177.879 176.600 0.067 0.000 0.984 208 E CA 1.355 57.795 56.400 0.067 0.000 0.951 208 E CB 0.017 29.747 29.700 0.049 0.000 0.914 208 E HN 0.804 nan 8.360 nan 0.000 0.509 209 G N 3.378 112.227 108.800 0.082 0.000 2.196 209 G HA2 -0.413 3.547 3.960 0.001 0.000 0.268 209 G HA3 -0.413 3.547 3.960 0.001 0.000 0.268 209 G C 1.213 176.179 174.900 0.109 0.000 0.975 209 G CA 0.972 46.122 45.100 0.083 0.000 0.648 209 G HN 0.608 nan 8.290 nan 0.000 0.538 210 S N -1.075 114.713 115.700 0.147 0.000 2.371 210 S HA 0.071 4.542 4.470 0.001 0.000 0.224 210 S C 1.947 176.734 174.600 0.312 0.000 1.029 210 S CA 1.611 59.935 58.200 0.207 0.000 0.978 210 S CB -0.252 63.083 63.200 0.226 0.000 0.833 210 S HN 0.772 nan 8.310 nan 0.000 0.466 211 F N 2.194 122.215 119.950 0.117 0.000 2.134 211 F HA -0.099 4.428 4.527 0.001 0.000 0.299 211 F C 2.222 178.060 175.800 0.064 0.000 1.097 211 F CA 1.877 59.919 58.000 0.070 0.000 1.264 211 F CB -0.555 38.464 39.000 0.030 0.000 1.001 211 F HN 0.220 nan 8.300 nan 0.000 0.479 212 Q N 0.591 120.494 119.800 0.172 0.000 2.124 212 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 212 Q C 2.421 178.419 176.000 -0.003 0.000 0.977 212 Q CA 1.786 57.625 55.803 0.059 0.000 0.850 212 Q CB -0.818 27.988 28.738 0.113 0.000 0.901 212 Q HN 0.513 nan 8.270 nan 0.000 0.429 213 A N 0.434 123.291 122.820 0.061 0.000 1.902 213 A HA -0.169 4.151 4.320 0.001 0.000 0.217 213 A C 2.017 179.662 177.584 0.103 0.000 1.181 213 A CA 1.394 53.484 52.037 0.089 0.000 0.623 213 A CB -0.698 18.360 19.000 0.095 0.000 0.818 213 A HN 0.374 nan 8.150 nan 0.000 0.443 214 L N -0.591 120.670 121.223 0.063 0.000 2.093 214 L HA -0.154 4.187 4.340 0.001 0.000 0.208 214 L C 2.322 179.080 176.870 -0.186 0.000 1.085 214 L CA 1.998 56.776 54.840 -0.103 0.000 0.755 214 L CB -0.602 41.250 42.059 -0.345 0.000 0.904 214 L HN 0.335 nan 8.230 nan 0.000 0.435 215 Q N -0.065 119.563 119.800 -0.286 0.000 2.170 215 Q HA -0.172 4.169 4.340 0.001 0.000 0.203 215 Q C 2.331 178.271 176.000 -0.100 0.000 0.976 215 Q CA 1.542 57.196 55.803 -0.249 0.000 0.858 215 Q CB -0.392 28.173 28.738 -0.287 0.000 0.907 215 Q HN 0.577 nan 8.270 nan 0.000 0.433 216 R N -0.106 120.367 120.500 -0.045 0.000 2.073 216 R HA 0.025 4.366 4.340 0.001 0.000 0.229 216 R C 2.446 178.768 176.300 0.036 0.000 1.120 216 R CA 1.232 57.336 56.100 0.006 0.000 0.967 216 R CB -0.183 30.134 30.300 0.028 0.000 0.862 216 R HN 0.109 nan 8.270 nan 0.000 0.436 217 S N 0.396 116.127 115.700 0.051 0.000 2.382 217 S HA -0.108 4.362 4.470 0.001 0.000 0.228 217 S C 1.617 176.270 174.600 0.088 0.000 1.027 217 S CA 0.887 59.148 58.200 0.101 0.000 0.991 217 S CB -0.014 63.256 63.200 0.117 0.000 0.823 217 S HN 0.402 nan 8.310 nan 0.000 0.469 218 c N 1.980 120.584 118.600 0.007 0.000 2.480 218 c HA 0.328 4.898 4.570 0.001 0.000 0.317 218 c C 0.815 174.902 174.090 -0.004 0.000 1.300 218 c CA -0.917 55.406 56.329 -0.011 0.000 1.706 218 c CB -1.915 40.536 42.510 -0.098 0.000 1.840 218 c HN 0.469 nan 8.230 nan 0.000 0.596 219 Q N 0.898 120.709 119.800 0.018 0.000 2.244 219 Q HA 0.388 4.728 4.340 0.001 0.000 0.278 219 Q C 1.259 177.276 176.000 0.028 0.000 1.093 219 Q CA 1.538 57.350 55.803 0.015 0.000 0.916 219 Q CB -0.122 28.631 28.738 0.025 0.000 1.159 219 Q HN 0.659 nan 8.270 nan 0.000 0.384 220 G N 3.575 112.384 108.800 0.015 0.000 2.148 220 G HA2 -0.353 3.607 3.960 0.001 0.000 0.254 220 G HA3 -0.353 3.607 3.960 0.001 0.000 0.254 220 G C 0.056 174.973 174.900 0.029 0.000 0.981 220 G CA 0.412 45.525 45.100 0.021 0.000 0.670 220 G HN 0.633 nan 8.290 nan 0.000 0.528 221 R N 0.635 121.151 120.500 0.027 0.000 2.532 221 R HA 0.497 4.837 4.340 0.001 0.000 0.295 221 R C 0.218 176.521 176.300 0.006 0.000 0.968 221 R CA -0.709 55.414 56.100 0.037 0.000 0.916 221 R CB 0.735 31.073 30.300 0.064 0.000 1.124 221 R HN 0.387 nan 8.270 nan 0.000 0.463 222 E N 2.125 122.336 120.200 0.018 0.000 2.392 222 E HA -0.020 4.330 4.350 0.001 0.000 0.264 222 E C -0.635 175.955 176.600 -0.018 0.000 1.024 222 E CA -0.097 56.311 56.400 0.013 0.000 0.903 222 E CB 0.585 30.309 29.700 0.041 0.000 0.963 222 E HN 0.453 nan 8.360 nan 0.000 0.432 223 D N 1.239 121.613 120.400 -0.043 0.000 2.423 223 D HA -0.050 4.590 4.640 0.001 0.000 0.238 223 D C 0.298 176.571 176.300 -0.045 0.000 1.142 223 D CA 0.518 54.406 54.000 -0.186 0.000 0.884 223 D CB 0.237 40.890 40.800 -0.245 0.000 1.199 223 D HN 0.444 nan 8.370 nan 0.000 0.438 224 F N -1.603 118.279 119.950 -0.113 0.000 2.699 224 F HA -0.267 4.260 4.527 0.001 0.000 0.343 224 F C 0.846 176.662 175.800 0.026 0.000 0.633 224 F CA 0.686 58.636 58.000 -0.084 0.000 1.365 224 F CB -1.407 37.541 39.000 -0.086 0.000 1.795 224 F HN 0.203 nan 8.300 nan 0.000 0.304 225 K N 1.217 121.656 120.400 0.066 0.000 2.123 225 K HA 0.713 5.033 4.320 0.001 0.000 0.259 225 K C 0.517 177.096 176.600 -0.035 0.000 0.960 225 K CA -0.797 55.518 56.287 0.047 0.000 0.872 225 K CB 1.759 34.277 32.500 0.031 0.000 1.079 225 K HN 0.266 nan 8.250 nan 0.000 0.440 226 I N -1.927 118.586 120.570 -0.095 0.000 2.886 226 I HA 0.401 4.571 4.170 0.001 0.000 0.299 226 I C 0.233 176.169 176.117 -0.301 0.000 1.044 226 I CA -0.076 61.103 61.300 -0.202 0.000 1.310 226 I CB 1.603 39.400 38.000 -0.340 0.000 1.441 226 I HN 0.447 nan 8.210 nan 0.000 0.578 227 S N 2.910 118.395 115.700 -0.359 0.000 2.843 227 S HA 0.652 5.122 4.470 0.001 0.000 0.301 227 S C -1.046 173.382 174.600 -0.286 0.000 1.206 227 S CA -0.864 57.018 58.200 -0.531 0.000 0.875 227 S CB 1.301 64.331 63.200 -0.284 0.000 1.248 227 S HN 0.604 nan 8.310 nan 0.000 0.555 228 I N 1.916 122.414 120.570 -0.120 0.000 2.406 228 I HA 0.362 4.533 4.170 0.001 0.000 0.290 228 I C 1.156 177.384 176.117 0.185 0.000 0.999 228 I CA -0.429 60.944 61.300 0.122 0.000 1.124 228 I CB 1.709 39.812 38.000 0.173 0.000 1.289 228 I HN 0.875 nan 8.210 nan 0.000 0.441 229 H N 3.832 122.971 119.070 0.116 0.000 2.321 229 H HA -0.116 4.440 4.556 0.001 0.000 0.300 229 H C 0.321 175.722 175.328 0.122 0.000 1.087 229 H CA 1.058 57.169 56.048 0.103 0.000 1.319 229 H CB 0.566 30.406 29.762 0.131 0.000 1.379 229 H HN 0.502 nan 8.280 nan 0.000 0.501 230 D N -1.028 119.524 120.400 0.253 0.000 2.404 230 D HA 0.132 4.773 4.640 0.001 0.000 0.267 230 D C -2.061 174.353 176.300 0.190 0.000 1.194 230 D CA -2.256 51.862 54.000 0.196 0.000 0.910 230 D CB 1.207 42.123 40.800 0.193 0.000 1.090 230 D HN 0.115 nan 8.370 nan 0.000 0.511 231 P HA -0.116 nan 4.420 nan 0.000 0.217 231 P C 1.247 178.631 177.300 0.141 0.000 1.148 231 P CA 0.627 63.807 63.100 0.133 0.000 0.828 231 P CB 0.092 31.899 31.700 0.179 0.000 0.783 232 F N 0.736 120.735 119.950 0.080 0.000 2.084 232 F HA -0.073 4.454 4.527 0.001 0.000 0.296 232 F C 2.240 178.086 175.800 0.077 0.000 1.111 232 F CA 1.550 59.605 58.000 0.091 0.000 1.224 232 F CB -0.956 38.125 39.000 0.136 0.000 0.991 232 F HN -0.143 nan 8.300 nan 0.000 0.471 233 A N 0.217 123.107 122.820 0.116 0.000 1.933 233 A HA -0.005 4.316 4.320 0.001 0.000 0.218 233 A C 2.345 179.881 177.584 -0.080 0.000 1.175 233 A CA 1.667 53.659 52.037 -0.074 0.000 0.628 233 A CB -1.494 17.517 19.000 0.017 0.000 0.814 233 A HN 0.498 nan 8.150 nan 0.000 0.444 234 A N -1.281 121.502 122.820 -0.061 0.000 1.929 234 A HA 0.248 4.569 4.320 0.001 0.000 0.216 234 A C 1.729 179.084 177.584 -0.381 0.000 1.176 234 A CA 1.545 53.435 52.037 -0.246 0.000 0.628 234 A CB -0.192 18.484 19.000 -0.541 0.000 0.816 234 A HN 0.485 nan 8.150 nan 0.000 0.444 235 L N -2.541 118.516 121.223 -0.277 0.000 3.515 235 L HA 0.172 4.512 4.340 0.001 0.000 0.322 235 L C 1.566 178.381 176.870 -0.091 0.000 1.225 235 L CA 0.172 54.915 54.840 -0.162 0.000 1.104 235 L CB 0.522 42.500 42.059 -0.134 0.000 1.506 235 L HN 0.285 nan 8.230 nan 0.000 0.624 236 Q N -0.595 119.089 119.800 -0.193 0.000 2.322 236 Q HA 0.150 4.491 4.340 0.001 0.000 0.250 236 Q C 0.543 176.278 176.000 -0.441 0.000 0.853 236 Q CA -0.138 55.554 55.803 -0.186 0.000 0.951 236 Q CB 1.152 29.916 28.738 0.043 0.000 1.114 236 Q HN 0.105 nan 8.270 nan 0.000 0.523 237 K N 1.936 121.819 120.400 -0.862 0.000 2.379 237 K HA 0.339 4.660 4.320 0.001 0.000 0.284 237 K C -0.581 175.841 176.600 -0.298 0.000 1.044 237 K CA -0.204 55.598 56.287 -0.809 0.000 0.974 237 K CB 0.649 32.630 32.500 -0.865 0.000 0.962 237 K HN 0.083 nan 8.250 nan 0.000 0.474 238 A N 4.697 127.437 122.820 -0.134 0.000 2.520 238 A HA 0.081 4.402 4.320 0.001 0.000 0.245 238 A C -0.494 177.049 177.584 -0.068 0.000 1.072 238 A CA 0.137 52.138 52.037 -0.061 0.000 0.761 238 A CB 0.350 19.354 19.000 0.007 0.000 1.004 238 A HN 0.718 nan 8.150 nan 0.000 0.499 239 Q N 0.717 120.476 119.800 -0.069 0.000 2.501 239 Q HA 0.298 4.639 4.340 0.001 0.000 0.288 239 Q C -0.751 175.210 176.000 -0.064 0.000 1.051 239 Q CA -0.939 54.822 55.803 -0.070 0.000 0.788 239 Q CB 1.672 30.357 28.738 -0.089 0.000 1.469 239 Q HN 0.831 nan 8.270 nan 0.000 0.416 240 K N -0.011 120.350 120.400 -0.066 0.000 2.504 240 K HA 0.089 4.410 4.320 0.001 0.000 0.278 240 K C 0.851 177.406 176.600 -0.075 0.000 1.025 240 K CA 1.707 57.956 56.287 -0.064 0.000 1.093 240 K CB -0.277 32.181 32.500 -0.069 0.000 0.873 240 K HN 0.811 nan 8.250 nan 0.000 0.483 241 G N 1.940 110.700 108.800 -0.067 0.000 2.284 241 G HA2 -0.279 3.682 3.960 0.001 0.000 0.230 241 G HA3 -0.279 3.682 3.960 0.001 0.000 0.230 241 G C -0.019 174.835 174.900 -0.077 0.000 1.021 241 G CA 0.094 45.146 45.100 -0.079 0.000 0.619 241 G HN 1.068 nan 8.290 nan 0.000 0.510 242 V N -0.978 118.896 119.914 -0.068 0.000 2.464 242 V HA 0.737 4.857 4.120 0.001 0.000 0.255 242 V C 0.741 176.807 176.094 -0.046 0.000 0.946 242 V CA 0.836 63.101 62.300 -0.058 0.000 0.988 242 V CB -0.083 31.710 31.823 -0.050 0.000 1.210 242 V HN 0.917 nan 8.190 nan 0.000 0.523 243 T N -1.628 112.905 114.554 -0.034 0.000 3.001 243 T HA 0.499 4.850 4.350 0.001 0.000 0.251 243 T C 0.969 175.679 174.700 0.016 0.000 1.040 243 T CA 0.622 62.718 62.100 -0.008 0.000 0.985 243 T CB 0.521 69.389 68.868 0.001 0.000 1.011 243 T HN 1.237 nan 8.240 nan 0.000 0.509 244 A N 2.969 125.779 122.820 -0.016 0.000 2.511 244 A HA 0.346 4.667 4.320 0.001 0.000 0.242 244 A C 1.385 178.951 177.584 -0.029 0.000 1.069 244 A CA -0.265 51.760 52.037 -0.021 0.000 0.763 244 A CB -0.227 18.701 19.000 -0.121 0.000 1.001 244 A HN 0.670 nan 8.150 nan 0.000 0.498 245 W N 2.825 124.119 121.300 -0.010 0.000 2.350 245 W HA -0.179 4.481 4.660 0.001 0.000 0.289 245 W C 0.049 176.558 176.519 -0.017 0.000 1.215 245 W CA 1.552 58.895 57.345 -0.003 0.000 1.236 245 W CB -0.522 28.941 29.460 0.005 0.000 1.130 245 W HN 0.754 nan 8.180 nan 0.000 0.541 246 D N 0.054 119.754 120.400 -1.166 0.000 2.388 246 D HA 0.006 4.646 4.640 0.001 0.000 0.221 246 D C -0.405 175.535 176.300 -0.600 0.000 1.133 246 D CA -0.236 53.065 54.000 -1.166 0.000 0.831 246 D CB -0.795 38.881 40.800 -1.873 0.000 0.962 246 D HN -0.174 nan 8.370 nan 0.000 0.502 247 D N 2.529 122.698 120.400 -0.386 0.000 2.424 247 D HA 0.033 4.674 4.640 0.001 0.000 0.244 247 D C -0.895 175.244 176.300 -0.269 0.000 1.134 247 D CA -1.258 52.578 54.000 -0.272 0.000 0.881 247 D CB 1.724 42.430 40.800 -0.156 0.000 1.191 247 D HN 0.069 nan 8.370 nan 0.000 0.445 248 P HA -0.155 nan 4.420 nan 0.000 0.215 248 P C -0.244 176.879 177.300 -0.295 0.000 1.157 248 P CA 1.221 64.026 63.100 -0.491 0.000 0.863 248 P CB 0.189 31.324 31.700 -0.942 0.000 0.787 249 Y N 0.027 120.358 120.300 0.051 0.000 2.328 249 Y HA 0.483 5.033 4.550 0.001 0.000 0.333 249 Y C 1.101 177.012 175.900 0.017 0.000 0.958 249 Y CA -1.128 57.022 58.100 0.083 0.000 1.167 249 Y CB 1.260 39.822 38.460 0.170 0.000 1.151 249 Y HN -0.149 nan 8.280 nan 0.000 0.470 250 K N 0.876 121.340 120.400 0.108 0.000 1.966 250 K HA 0.785 5.106 4.320 0.001 0.000 0.252 250 K C 0.485 177.058 176.600 -0.045 0.000 1.033 250 K CA -0.699 55.587 56.287 -0.002 0.000 1.000 250 K CB 0.842 33.311 32.500 -0.051 0.000 1.778 250 K HN 0.736 nan 8.250 nan 0.000 0.750 251 G N 1.125 109.856 108.800 -0.116 0.000 2.633 251 G HA2 -0.316 3.645 3.960 0.001 0.000 0.263 251 G HA3 -0.316 3.645 3.960 0.001 0.000 0.263 251 G C 0.359 175.222 174.900 -0.061 0.000 1.310 251 G CA 0.471 45.490 45.100 -0.135 0.000 0.914 251 G HN 0.624 nan 8.290 nan 0.000 0.569 252 N N -0.643 118.070 118.700 0.021 0.000 2.069 252 N HA -0.093 4.647 4.740 0.001 0.000 0.191 252 N C 2.102 177.625 175.510 0.022 0.000 1.031 252 N CA 2.030 55.141 53.050 0.101 0.000 0.852 252 N CB -0.439 38.316 38.487 0.447 0.000 1.018 252 N HN 0.420 nan 8.380 nan 0.000 0.423 253 F N 1.257 121.037 119.950 -0.284 0.000 2.126 253 F HA -0.029 4.499 4.527 0.001 0.000 0.299 253 F C 2.593 178.050 175.800 -0.573 0.000 1.096 253 F CA 0.931 58.626 58.000 -0.509 0.000 1.255 253 F CB -1.249 37.522 39.000 -0.381 0.000 0.997 253 F HN 0.083 nan 8.300 nan 0.000 0.479 254 G N -0.965 107.791 108.800 -0.075 0.000 2.421 254 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 254 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 254 G C 1.570 176.348 174.900 -0.204 0.000 1.171 254 G CA 0.578 45.640 45.100 -0.064 0.000 0.775 254 G HN 0.355 nan 8.290 nan 0.000 0.543 255 Q N -0.330 119.340 119.800 -0.217 0.000 2.119 255 Q HA 0.110 4.451 4.340 0.001 0.000 0.201 255 Q C 2.674 178.467 176.000 -0.345 0.000 0.972 255 Q CA 0.566 56.224 55.803 -0.242 0.000 0.847 255 Q CB -0.189 28.426 28.738 -0.205 0.000 0.903 255 Q HN 0.436 nan 8.270 nan 0.000 0.433 256 L N -0.057 120.860 121.223 -0.510 0.000 2.131 256 L HA -0.181 4.159 4.340 0.001 0.000 0.210 256 L C 2.387 178.827 176.870 -0.718 0.000 1.092 256 L CA 0.879 55.326 54.840 -0.654 0.000 0.759 256 L CB -0.271 41.227 42.059 -0.934 0.000 0.903 256 L HN 0.329 nan 8.230 nan 0.000 0.435 257 M N -0.773 118.351 119.600 -0.793 0.000 2.099 257 M HA -0.168 4.312 4.480 0.001 0.000 0.262 257 M C 2.464 178.591 176.300 -0.289 0.000 1.067 257 M CA 1.920 56.908 55.300 -0.520 0.000 1.124 257 M CB -0.405 31.989 32.600 -0.342 0.000 1.353 257 M HN 0.297 nan 8.290 nan 0.000 0.410 258 A N -0.178 122.481 122.820 -0.267 0.000 2.014 258 A HA -0.095 4.225 4.320 0.001 0.000 0.218 258 A C 2.028 179.511 177.584 -0.168 0.000 1.163 258 A CA 0.998 52.912 52.037 -0.205 0.000 0.652 258 A CB -0.598 18.288 19.000 -0.190 0.000 0.808 258 A HN 0.420 nan 8.150 nan 0.000 0.449 259 L N -0.666 120.451 121.223 -0.178 0.000 2.093 259 L HA -0.044 4.297 4.340 0.001 0.000 0.208 259 L C 2.152 178.996 176.870 -0.043 0.000 1.085 259 L CA 1.787 56.574 54.840 -0.089 0.000 0.755 259 L CB -0.312 41.677 42.059 -0.116 0.000 0.904 259 L HN 0.107 nan 8.230 nan 0.000 0.435 260 K N -0.529 119.813 120.400 -0.097 0.000 2.147 260 K HA -0.122 4.198 4.320 0.001 0.000 0.205 260 K C 2.038 178.605 176.600 -0.055 0.000 1.049 260 K CA 0.987 57.246 56.287 -0.047 0.000 0.936 260 K CB -0.088 32.383 32.500 -0.048 0.000 0.722 260 K HN 0.440 nan 8.250 nan 0.000 0.446 261 Q N -0.544 119.199 119.800 -0.094 0.000 2.167 261 Q HA -0.029 4.312 4.340 0.001 0.000 0.202 261 Q C 1.878 177.797 176.000 -0.135 0.000 0.970 261 Q CA 1.255 56.996 55.803 -0.103 0.000 0.855 261 Q CB -0.087 28.579 28.738 -0.121 0.000 0.911 261 Q HN 0.276 nan 8.270 nan 0.000 0.438 262 A N 0.097 122.808 122.820 -0.182 0.000 1.975 262 A HA -0.046 4.274 4.320 0.001 0.000 0.215 262 A C 0.642 177.904 177.584 -0.537 0.000 1.170 262 A CA 0.560 52.386 52.037 -0.351 0.000 0.656 262 A CB 0.044 18.803 19.000 -0.401 0.000 0.821 262 A HN 0.252 nan 8.150 nan 0.000 0.449 263 H N -1.186 117.853 119.070 -0.052 0.000 2.348 263 H HA 0.231 4.788 4.556 0.001 0.000 0.232 263 H C -2.227 173.079 175.328 -0.037 0.000 1.419 263 H CA -1.599 54.427 56.048 -0.037 0.000 1.416 263 H CB 0.576 30.318 29.762 -0.034 0.000 1.510 263 H HN 0.233 nan 8.280 nan 0.000 0.507 264 P HA -0.149 nan 4.420 nan 0.000 0.217 264 P C 1.070 178.381 177.300 0.018 0.000 1.148 264 P CA 1.239 64.345 63.100 0.009 0.000 0.828 264 P CB 0.516 32.209 31.700 -0.012 0.000 0.783 265 D N -1.342 119.079 120.400 0.035 0.000 2.323 265 D HA 0.003 4.644 4.640 0.001 0.000 0.209 265 D C 0.845 177.147 176.300 0.003 0.000 0.973 265 D CA 0.133 54.146 54.000 0.021 0.000 0.874 265 D CB -0.263 40.557 40.800 0.034 0.000 0.930 265 D HN 0.142 nan 8.370 nan 0.000 0.521 266 L N 1.995 123.231 121.223 0.021 0.000 2.499 266 L HA 0.024 4.364 4.340 0.001 0.000 0.273 266 L C 0.035 176.871 176.870 -0.055 0.000 1.195 266 L CA 0.135 54.962 54.840 -0.023 0.000 0.882 266 L CB 0.406 42.462 42.059 -0.005 0.000 1.133 266 L HN -0.350 nan 8.230 nan 0.000 0.483 267 K N 7.378 127.686 120.400 -0.154 0.000 2.262 267 K HA 0.397 4.718 4.320 0.001 0.000 0.282 267 K C -0.714 175.868 176.600 -0.031 0.000 1.066 267 K CA -0.048 56.146 56.287 -0.156 0.000 0.901 267 K CB 0.832 33.054 32.500 -0.464 0.000 1.089 267 K HN 0.591 nan 8.250 nan 0.000 0.476 268 I N 5.301 125.920 120.570 0.082 0.000 2.330 268 I HA 0.294 4.465 4.170 0.001 0.000 0.289 268 I C -0.204 176.114 176.117 0.336 0.000 1.001 268 I CA -0.664 60.747 61.300 0.185 0.000 1.193 268 I CB 0.720 38.827 38.000 0.178 0.000 1.345 268 I HN 0.230 nan 8.210 nan 0.000 0.461 269 L N 8.435 129.835 121.223 0.295 0.000 2.346 269 L HA 0.574 4.915 4.340 0.001 0.000 0.276 269 L C -2.454 174.497 176.870 0.135 0.000 1.006 269 L CA -1.948 53.036 54.840 0.241 0.000 0.817 269 L CB 2.207 44.390 42.059 0.208 0.000 1.272 269 L HN 0.314 nan 8.230 nan 0.000 0.421 270 P HA 0.091 nan 4.420 nan 0.000 0.286 270 P C -0.819 176.492 177.300 0.018 0.000 1.269 270 P CA -0.346 62.580 63.100 -0.289 0.000 0.787 270 P CB 1.785 32.938 31.700 -0.912 0.000 0.920 271 S N 3.900 119.725 115.700 0.208 0.000 2.422 271 S HA 0.439 4.910 4.470 0.001 0.000 0.308 271 S C -0.027 174.853 174.600 0.466 0.000 1.097 271 S CA -0.789 57.634 58.200 0.372 0.000 1.099 271 S CB -0.486 63.037 63.200 0.537 0.000 0.976 271 S HN 0.240 nan 8.310 nan 0.000 0.471 272 I N 5.528 126.325 120.570 0.379 0.000 2.315 272 I HA 0.582 4.752 4.170 0.001 0.000 0.291 272 I C 1.092 177.456 176.117 0.413 0.000 1.006 272 I CA 0.106 61.616 61.300 0.350 0.000 1.265 272 I CB 0.730 38.941 38.000 0.353 0.000 1.387 272 I HN 0.961 nan 8.210 nan 0.000 0.475 273 G N 4.217 113.160 108.800 0.239 0.000 2.390 273 G HA2 0.348 4.309 3.960 0.001 0.000 0.202 273 G HA3 0.348 4.309 3.960 0.001 0.000 0.202 273 G C -0.074 174.555 174.900 -0.452 0.000 1.210 273 G CA -0.002 45.154 45.100 0.092 0.000 1.271 273 G HN 1.429 nan 8.290 nan 0.000 0.543 274 G N -2.134 106.335 108.800 -0.552 0.000 2.592 274 G HA2 0.102 4.062 3.960 0.001 0.000 0.684 274 G HA3 0.102 4.062 3.960 0.001 0.000 0.684 274 G C 0.756 175.433 174.900 -0.372 0.000 1.291 274 G CA 0.455 44.970 45.100 -0.974 0.000 0.891 274 G HN 1.939 nan 8.290 nan 0.000 0.544 275 W N 0.200 121.245 121.300 -0.425 0.000 2.321 275 W HA -0.180 4.480 4.660 0.001 0.000 0.306 275 W C 2.285 178.724 176.519 -0.133 0.000 1.217 275 W CA 3.150 60.347 57.345 -0.247 0.000 1.257 275 W CB -0.356 28.995 29.460 -0.180 0.000 1.145 275 W HN 0.988 nan 8.180 nan 0.000 0.509 276 T N -1.981 112.552 114.554 -0.035 0.000 3.086 276 T HA 0.151 4.502 4.350 0.001 0.000 0.250 276 T C 1.344 175.998 174.700 -0.076 0.000 1.074 276 T CA 0.105 62.174 62.100 -0.053 0.000 0.988 276 T CB -0.398 68.537 68.868 0.112 0.000 0.988 276 T HN 0.117 nan 8.240 nan 0.000 0.530 277 L N 0.661 121.809 121.223 -0.125 0.000 3.014 277 L HA 0.410 4.750 4.340 0.001 0.000 0.263 277 L C 1.568 178.351 176.870 -0.144 0.000 1.207 277 L CA -0.158 54.599 54.840 -0.138 0.000 1.017 277 L CB 0.433 42.412 42.059 -0.134 0.000 1.360 277 L HN 0.146 nan 8.230 nan 0.000 0.560 278 S N -0.651 115.001 115.700 -0.079 0.000 2.548 278 S HA -0.033 4.438 4.470 0.001 0.000 0.215 278 S C 1.114 175.754 174.600 0.066 0.000 0.976 278 S CA 0.047 58.283 58.200 0.060 0.000 0.908 278 S CB 0.105 63.383 63.200 0.129 0.000 0.781 278 S HN 0.361 nan 8.310 nan 0.000 0.519 279 D N 2.450 122.899 120.400 0.083 0.000 2.133 279 D HA -0.077 4.564 4.640 0.001 0.000 0.195 279 D C -0.865 175.609 176.300 0.290 0.000 0.997 279 D CA 1.266 55.425 54.000 0.264 0.000 0.840 279 D CB -1.491 39.395 40.800 0.144 0.000 0.947 279 D HN 0.308 nan 8.370 nan 0.000 0.452 280 P HA -0.125 nan 4.420 nan 0.000 0.216 280 P C 1.196 178.461 177.300 -0.059 0.000 1.150 280 P CA 0.836 63.936 63.100 0.000 0.000 0.837 280 P CB -0.109 31.333 31.700 -0.430 0.000 0.786 281 F N -1.862 117.784 119.950 -0.507 0.000 2.154 281 F HA -0.160 4.367 4.527 0.001 0.000 0.301 281 F C 1.900 177.087 175.800 -1.021 0.000 1.087 281 F CA 1.243 58.537 58.000 -1.175 0.000 1.274 281 F CB -1.666 35.903 39.000 -2.385 0.000 1.009 281 F HN -0.124 nan 8.300 nan 0.000 0.485 282 F N -1.743 118.044 119.950 -0.271 0.000 2.494 282 F HA -0.154 4.374 4.527 0.001 0.000 0.298 282 F C 1.685 177.299 175.800 -0.310 0.000 1.106 282 F CA 0.910 58.820 58.000 -0.149 0.000 1.452 282 F CB -1.053 37.838 39.000 -0.182 0.000 1.085 282 F HN -0.079 nan 8.300 nan 0.000 0.569 283 F N -2.115 117.857 119.950 0.035 0.000 2.721 283 F HA 0.115 4.643 4.527 0.001 0.000 0.301 283 F C 2.018 177.679 175.800 -0.231 0.000 1.096 283 F CA -0.009 57.953 58.000 -0.063 0.000 1.308 283 F CB -0.450 38.522 39.000 -0.047 0.000 1.086 283 F HN -0.149 nan 8.300 nan 0.000 0.587 284 M N 0.398 119.936 119.600 -0.104 0.000 2.623 284 M HA -0.071 4.410 4.480 0.001 0.000 0.258 284 M C 2.202 178.462 176.300 -0.067 0.000 1.067 284 M CA 1.022 56.226 55.300 -0.160 0.000 1.068 284 M CB -0.750 31.720 32.600 -0.217 0.000 1.409 284 M HN 0.188 nan 8.290 nan 0.000 0.504 285 G N -0.920 107.869 108.800 -0.019 0.000 2.448 285 G HA2 -0.186 3.774 3.960 0.001 0.000 0.219 285 G HA3 -0.186 3.774 3.960 0.001 0.000 0.219 285 G C 0.431 175.323 174.900 -0.014 0.000 1.127 285 G CA 0.353 45.460 45.100 0.013 0.000 0.766 285 G HN 0.435 nan 8.290 nan 0.000 0.552 286 D N -0.073 120.296 120.400 -0.051 0.000 2.336 286 D HA 0.176 4.817 4.640 0.001 0.000 0.249 286 D C 1.492 177.745 176.300 -0.078 0.000 1.213 286 D CA -0.392 53.567 54.000 -0.067 0.000 0.870 286 D CB 1.245 41.981 40.800 -0.106 0.000 1.076 286 D HN -0.030 nan 8.370 nan 0.000 0.483 287 K N 2.835 123.211 120.400 -0.040 0.000 2.113 287 K HA -0.142 4.178 4.320 0.001 0.000 0.208 287 K C 1.622 178.201 176.600 -0.035 0.000 1.047 287 K CA 1.336 57.607 56.287 -0.026 0.000 0.928 287 K CB -0.331 32.163 32.500 -0.010 0.000 0.716 287 K HN 0.360 nan 8.250 nan 0.000 0.446 288 V N 0.983 120.868 119.914 -0.048 0.000 2.287 288 V HA -0.287 3.834 4.120 0.001 0.000 0.248 288 V C 2.154 178.208 176.094 -0.067 0.000 1.053 288 V CA 2.178 64.451 62.300 -0.046 0.000 1.027 288 V CB -0.417 31.378 31.823 -0.046 0.000 0.646 288 V HN 0.364 nan 8.190 nan 0.000 0.447 289 K N -0.314 119.993 120.400 -0.155 0.000 2.057 289 K HA -0.155 4.165 4.320 0.001 0.000 0.206 289 K C 2.408 178.947 176.600 -0.102 0.000 1.050 289 K CA 1.322 57.453 56.287 -0.259 0.000 0.935 289 K CB -0.232 31.836 32.500 -0.721 0.000 0.715 289 K HN 0.273 nan 8.250 nan 0.000 0.439 290 R N 1.213 121.666 120.500 -0.077 0.000 2.081 290 R HA -0.151 4.189 4.340 0.001 0.000 0.235 290 R C 1.516 177.881 176.300 0.109 0.000 1.131 290 R CA 1.823 57.943 56.100 0.033 0.000 0.960 290 R CB -0.000 30.306 30.300 0.011 0.000 0.856 290 R HN 0.142 nan 8.270 nan 0.000 0.436 291 D N -0.295 120.135 120.400 0.049 0.000 2.117 291 D HA -0.176 4.465 4.640 0.001 0.000 0.198 291 D C 1.844 178.176 176.300 0.053 0.000 0.982 291 D CA 0.959 54.986 54.000 0.044 0.000 0.828 291 D CB -0.203 40.609 40.800 0.019 0.000 0.967 291 D HN 0.251 nan 8.370 nan 0.000 0.464 292 R N -0.346 120.192 120.500 0.064 0.000 2.081 292 R HA -0.158 4.182 4.340 0.001 0.000 0.235 292 R C 2.281 178.642 176.300 0.102 0.000 1.131 292 R CA 0.888 57.032 56.100 0.074 0.000 0.960 292 R CB -0.448 29.905 30.300 0.089 0.000 0.856 292 R HN 0.123 nan 8.270 nan 0.000 0.436 293 F N 0.972 120.923 119.950 0.002 0.000 2.046 293 F HA -0.226 4.301 4.527 0.001 0.000 0.297 293 F C 1.993 177.783 175.800 -0.018 0.000 1.123 293 F CA 1.761 59.755 58.000 -0.010 0.000 1.199 293 F CB -0.726 38.265 39.000 -0.016 0.000 0.972 293 F HN -0.194 nan 8.300 nan 0.000 0.474 294 V N 0.838 120.696 119.914 -0.093 0.000 2.324 294 V HA -0.307 3.814 4.120 0.001 0.000 0.250 294 V C 2.773 178.756 176.094 -0.185 0.000 1.060 294 V CA 2.042 64.226 62.300 -0.193 0.000 1.042 294 V CB -1.838 29.976 31.823 -0.016 0.000 0.650 294 V HN 0.609 nan 8.190 nan 0.000 0.450 295 G N 0.106 108.850 108.800 -0.094 0.000 2.418 295 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 295 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 295 G C 1.840 176.692 174.900 -0.080 0.000 1.158 295 G CA 1.369 46.430 45.100 -0.065 0.000 0.771 295 G HN 0.669 nan 8.290 nan 0.000 0.545 296 S N 0.053 115.687 115.700 -0.111 0.000 2.423 296 S HA -0.022 4.449 4.470 0.001 0.000 0.231 296 S C 2.231 176.759 174.600 -0.121 0.000 1.014 296 S CA 1.202 59.353 58.200 -0.083 0.000 0.965 296 S CB -0.176 62.975 63.200 -0.081 0.000 0.785 296 S HN 0.100 nan 8.310 nan 0.000 0.495 297 V N 2.273 122.012 119.914 -0.291 0.000 2.379 297 V HA -0.098 4.023 4.120 0.001 0.000 0.245 297 V C 2.750 178.793 176.094 -0.086 0.000 1.044 297 V CA 2.018 64.153 62.300 -0.275 0.000 1.036 297 V CB -0.720 30.828 31.823 -0.457 0.000 0.664 297 V HN 0.564 nan 8.190 nan 0.000 0.453 298 K N 0.370 120.705 120.400 -0.108 0.000 2.026 298 K HA -0.265 4.055 4.320 0.001 0.000 0.208 298 K C 2.235 178.815 176.600 -0.034 0.000 1.048 298 K CA 2.095 58.329 56.287 -0.089 0.000 0.929 298 K CB -0.172 32.275 32.500 -0.090 0.000 0.713 298 K HN 0.553 nan 8.250 nan 0.000 0.439 299 E N -0.437 119.764 120.200 0.001 0.000 2.110 299 E HA -0.214 4.137 4.350 0.001 0.000 0.193 299 E C 1.835 178.475 176.600 0.066 0.000 0.988 299 E CA 1.007 57.420 56.400 0.021 0.000 0.804 299 E CB -0.177 29.550 29.700 0.045 0.000 0.745 299 E HN 0.370 nan 8.360 nan 0.000 0.458 300 F N 1.065 121.010 119.950 -0.007 0.000 2.075 300 F HA -0.157 4.371 4.527 0.001 0.000 0.297 300 F C 1.896 177.746 175.800 0.082 0.000 1.113 300 F CA 1.458 59.523 58.000 0.107 0.000 1.218 300 F CB -0.135 38.918 39.000 0.088 0.000 0.984 300 F HN -0.005 nan 8.300 nan 0.000 0.472 301 L N -0.219 121.106 121.223 0.170 0.000 2.131 301 L HA -0.225 4.116 4.340 0.001 0.000 0.210 301 L C 2.381 179.211 176.870 -0.067 0.000 1.092 301 L CA 1.268 56.131 54.840 0.038 0.000 0.759 301 L CB -0.819 41.202 42.059 -0.063 0.000 0.903 301 L HN 0.254 nan 8.230 nan 0.000 0.435 302 Q N -0.840 118.905 119.800 -0.091 0.000 2.224 302 Q HA -0.129 4.212 4.340 0.001 0.000 0.203 302 Q C 2.092 177.974 176.000 -0.197 0.000 0.970 302 Q CA 1.713 57.451 55.803 -0.108 0.000 0.865 302 Q CB -0.042 28.644 28.738 -0.087 0.000 0.922 302 Q HN 0.492 nan 8.270 nan 0.000 0.445 303 T N -0.508 113.845 114.554 -0.334 0.000 2.814 303 T HA -0.074 4.277 4.350 0.001 0.000 0.254 303 T C -0.085 174.140 174.700 -0.791 0.000 1.037 303 T CA 0.653 62.366 62.100 -0.646 0.000 1.143 303 T CB -0.088 68.229 68.868 -0.918 0.000 0.866 303 T HN 0.316 nan 8.240 nan 0.000 0.431 304 W N 3.018 124.116 121.300 -0.337 0.000 2.120 304 W HA 0.444 5.104 4.660 0.001 0.000 0.371 304 W C 0.944 177.181 176.519 -0.470 0.000 0.865 304 W CA -1.038 56.025 57.345 -0.470 0.000 1.529 304 W CB 0.035 29.059 29.460 -0.726 0.000 1.623 304 W HN 0.087 nan 8.180 nan 0.000 0.325 305 K N 1.050 121.381 120.400 -0.115 0.000 2.360 305 K HA -0.187 4.134 4.320 0.001 0.000 0.201 305 K C 1.503 178.081 176.600 -0.037 0.000 1.046 305 K CA 1.273 57.535 56.287 -0.041 0.000 0.940 305 K CB -0.267 32.238 32.500 0.009 0.000 0.748 305 K HN 0.564 nan 8.250 nan 0.000 0.465 306 F N -0.359 119.502 119.950 -0.149 0.000 2.502 306 F HA 0.117 4.644 4.527 0.001 0.000 0.298 306 F C 0.392 176.050 175.800 -0.236 0.000 1.111 306 F CA -0.353 57.500 58.000 -0.244 0.000 1.445 306 F CB -0.519 38.242 39.000 -0.397 0.000 1.081 306 F HN -0.291 nan 8.300 nan 0.000 0.558 307 F N 2.304 121.954 119.950 -0.500 0.000 2.429 307 F HA 0.197 4.724 4.527 0.001 0.000 0.348 307 F C 1.047 176.852 175.800 0.009 0.000 1.109 307 F CA -0.940 56.901 58.000 -0.266 0.000 1.232 307 F CB 0.352 39.148 39.000 -0.340 0.000 1.157 307 F HN 0.023 nan 8.300 nan 0.000 0.564 308 D N 1.979 122.560 120.400 0.301 0.000 2.463 308 D HA 0.340 4.980 4.640 0.001 0.000 0.224 308 D C 0.987 177.502 176.300 0.357 0.000 1.174 308 D CA 0.397 54.565 54.000 0.279 0.000 0.829 308 D CB 0.538 41.426 40.800 0.147 0.000 0.993 308 D HN 0.753 nan 8.370 nan 0.000 0.497 309 G N -0.260 108.731 108.800 0.319 0.000 2.366 309 G HA2 0.161 4.121 3.960 0.001 0.000 0.190 309 G HA3 0.161 4.121 3.960 0.001 0.000 0.190 309 G C -1.807 173.155 174.900 0.103 0.000 1.299 309 G CA -0.093 45.140 45.100 0.222 0.000 1.056 309 G HN 0.212 nan 8.290 nan 0.000 0.468 310 V N 0.469 120.443 119.914 0.101 0.000 3.000 310 V HA 0.659 4.779 4.120 0.001 0.000 0.300 310 V C -2.048 174.127 176.094 0.135 0.000 1.251 310 V CA 0.045 62.383 62.300 0.062 0.000 0.972 310 V CB 2.039 33.864 31.823 0.003 0.000 1.065 310 V HN 1.220 nan 8.190 nan 0.000 0.431 311 D N 5.419 125.919 120.400 0.168 0.000 2.278 311 D HA 0.536 5.176 4.640 0.001 0.000 0.245 311 D C -0.887 175.571 176.300 0.264 0.000 1.052 311 D CA -0.427 53.723 54.000 0.250 0.000 0.834 311 D CB 1.448 42.428 40.800 0.301 0.000 1.194 311 D HN 0.428 nan 8.370 nan 0.000 0.481 312 I N 3.470 124.186 120.570 0.243 0.000 2.330 312 I HA 0.198 4.368 4.170 0.001 0.000 0.289 312 I C -0.265 175.973 176.117 0.202 0.000 1.001 312 I CA -0.497 60.925 61.300 0.203 0.000 1.193 312 I CB 1.272 39.308 38.000 0.061 0.000 1.345 312 I HN 0.477 nan 8.210 nan 0.000 0.461 313 D N 7.272 127.809 120.400 0.228 0.000 2.736 313 D HA 0.032 4.673 4.640 0.001 0.000 0.293 313 D C -0.554 175.789 176.300 0.071 0.000 1.241 313 D CA -0.385 53.735 54.000 0.199 0.000 0.965 313 D CB 0.272 41.252 40.800 0.301 0.000 0.992 313 D HN 0.321 nan 8.370 nan 0.000 0.510 314 W N 2.697 123.781 121.300 -0.360 0.000 2.546 314 W HA 0.273 4.934 4.660 0.001 0.000 0.323 314 W C -0.004 176.320 176.519 -0.326 0.000 1.272 314 W CA -0.868 56.129 57.345 -0.579 0.000 1.404 314 W CB 0.066 29.009 29.460 -0.862 0.000 1.411 314 W HN 0.170 nan 8.180 nan 0.000 0.480 315 E N 6.484 126.708 120.200 0.040 0.000 1.855 315 E HA 0.083 4.434 4.350 0.001 0.000 0.259 315 E C -0.617 175.668 176.600 -0.526 0.000 1.229 315 E CA 0.461 56.547 56.400 -0.523 0.000 1.042 315 E CB -1.296 28.070 29.700 -0.557 0.000 1.079 315 E HN 0.188 nan 8.360 nan 0.000 0.434 316 F N 0.275 120.186 119.950 -0.065 0.000 2.160 316 F HA -0.178 4.349 4.527 0.001 0.000 0.416 316 F C -2.182 173.356 175.800 -0.437 0.000 1.174 316 F CA -0.821 57.060 58.000 -0.197 0.000 1.373 316 F CB -1.586 37.410 39.000 -0.007 0.000 2.115 316 F HN 0.348 nan 8.300 nan 0.000 0.747 317 P HA 0.444 nan 4.420 nan 0.000 0.271 317 P C 0.956 178.085 177.300 -0.284 0.000 1.216 317 P CA 1.606 64.050 63.100 -1.093 0.000 0.776 317 P CB 1.214 32.072 31.700 -1.403 0.000 0.881 318 G N 1.243 110.068 108.800 0.042 0.000 2.195 318 G HA2 0.119 4.080 3.960 0.001 0.000 0.224 318 G HA3 0.119 4.080 3.960 0.001 0.000 0.224 318 G C 0.484 175.492 174.900 0.180 0.000 0.990 318 G CA 0.145 45.305 45.100 0.100 0.000 0.639 318 G HN 1.023 nan 8.290 nan 0.000 0.514 319 G N -0.275 108.738 108.800 0.355 0.000 2.472 319 G HA2 0.360 4.320 3.960 0.001 0.000 0.205 319 G HA3 0.360 4.320 3.960 0.001 0.000 0.205 319 G C 0.448 175.479 174.900 0.218 0.000 1.270 319 G CA 0.520 45.723 45.100 0.171 0.000 0.974 319 G HN 1.463 nan 8.290 nan 0.000 0.542 320 K N -1.965 118.510 120.400 0.124 0.000 3.407 320 K HA -0.144 4.177 4.320 0.001 0.000 0.312 320 K C 1.123 177.928 176.600 0.342 0.000 1.302 320 K CA 2.387 58.785 56.287 0.184 0.000 0.931 320 K CB -2.053 30.537 32.500 0.150 0.000 1.257 320 K HN 1.902 nan 8.250 nan 0.000 0.454 321 G N -0.023 108.886 108.800 0.182 0.000 2.630 321 G HA2 0.526 4.487 3.960 0.001 0.000 0.223 321 G HA3 0.526 4.487 3.960 0.001 0.000 0.223 321 G C 1.208 175.766 174.900 -0.570 0.000 1.434 321 G CA 0.196 45.195 45.100 -0.168 0.000 1.057 321 G HN 0.166 nan 8.290 nan 0.000 0.570 322 A N -0.821 121.285 122.820 -1.190 0.000 1.969 322 A HA 0.037 4.357 4.320 0.001 0.000 0.218 322 A C 1.418 178.818 177.584 -0.307 0.000 1.169 322 A CA 0.944 52.459 52.037 -0.870 0.000 0.635 322 A CB -0.376 17.951 19.000 -1.122 0.000 0.810 322 A HN 0.433 nan 8.150 nan 0.000 0.445 323 N N 0.318 118.848 118.700 -0.284 0.000 2.426 323 N HA 0.212 4.953 4.740 0.001 0.000 0.257 323 N C -2.199 173.198 175.510 -0.187 0.000 1.002 323 N CA -1.762 51.171 53.050 -0.195 0.000 0.942 323 N CB 1.557 39.920 38.487 -0.207 0.000 1.112 323 N HN 0.100 nan 8.380 nan 0.000 0.499 324 P HA 0.071 nan 4.420 nan 0.000 0.245 324 P C -0.183 177.050 177.300 -0.111 0.000 1.212 324 P CA 0.483 63.532 63.100 -0.085 0.000 0.774 324 P CB 0.538 32.219 31.700 -0.032 0.000 0.999 325 N N -0.350 118.261 118.700 -0.148 0.000 2.203 325 N HA 0.196 4.936 4.740 0.001 0.000 0.207 325 N C 0.361 175.732 175.510 -0.232 0.000 1.130 325 N CA 0.129 53.093 53.050 -0.144 0.000 0.861 325 N CB 1.008 39.438 38.487 -0.095 0.000 1.005 325 N HN 0.263 nan 8.380 nan 0.000 0.507 326 L N -0.401 120.588 121.223 -0.391 0.000 2.323 326 L HA 0.755 5.095 4.340 0.001 0.000 0.265 326 L C 0.223 176.669 176.870 -0.706 0.000 1.012 326 L CA -0.862 53.574 54.840 -0.673 0.000 0.820 326 L CB 2.236 43.611 42.059 -1.140 0.000 1.334 326 L HN 0.043 nan 8.230 nan 0.000 0.427 327 G N 0.908 109.404 108.800 -0.508 0.000 2.931 327 G HA2 0.270 4.231 3.960 0.001 0.000 0.675 327 G HA3 0.270 4.231 3.960 0.001 0.000 0.675 327 G C -0.990 173.937 174.900 0.045 0.000 1.339 327 G CA -0.253 44.830 45.100 -0.029 0.000 0.866 327 G HN 0.871 nan 8.290 nan 0.000 0.616 328 S N 1.822 117.606 115.700 0.140 0.000 2.579 328 S HA 0.844 5.315 4.470 0.001 0.000 0.272 328 S C -2.343 172.289 174.600 0.054 0.000 1.141 328 S CA -1.143 57.098 58.200 0.068 0.000 0.843 328 S CB 2.702 65.939 63.200 0.061 0.000 1.122 328 S HN 0.297 nan 8.310 nan 0.000 0.468 329 P HA -0.027 nan 4.420 nan 0.000 0.228 329 P C 1.062 178.363 177.300 0.001 0.000 1.151 329 P CA 0.807 63.907 63.100 -0.001 0.000 0.770 329 P CB 0.100 31.796 31.700 -0.006 0.000 0.786 330 Q N -0.387 119.430 119.800 0.028 0.000 2.424 330 Q HA -0.088 4.252 4.340 0.001 0.000 0.204 330 Q C 0.928 176.966 176.000 0.063 0.000 0.933 330 Q CA 0.542 56.367 55.803 0.037 0.000 0.929 330 Q CB -0.160 28.606 28.738 0.046 0.000 1.037 330 Q HN 0.135 nan 8.270 nan 0.000 0.511 331 D N 0.180 120.626 120.400 0.077 0.000 2.182 331 D HA -0.137 4.504 4.640 0.001 0.000 0.201 331 D C 1.635 177.896 176.300 -0.065 0.000 0.986 331 D CA 1.378 55.431 54.000 0.088 0.000 0.847 331 D CB -0.398 40.401 40.800 -0.002 0.000 0.942 331 D HN 0.478 nan 8.370 nan 0.000 0.467 332 G N 0.762 109.489 108.800 -0.121 0.000 2.421 332 G HA2 -0.309 3.651 3.960 0.001 0.000 0.216 332 G HA3 -0.309 3.651 3.960 0.001 0.000 0.216 332 G C 1.443 176.312 174.900 -0.050 0.000 1.171 332 G CA 0.854 45.851 45.100 -0.173 0.000 0.775 332 G HN 0.358 nan 8.290 nan 0.000 0.543 333 E N -0.104 120.092 120.200 -0.007 0.000 2.077 333 E HA -0.137 4.213 4.350 0.001 0.000 0.193 333 E C 2.501 179.148 176.600 0.077 0.000 0.989 333 E CA 1.538 57.953 56.400 0.025 0.000 0.800 333 E CB -0.232 29.480 29.700 0.020 0.000 0.746 333 E HN 0.352 nan 8.360 nan 0.000 0.452 334 T N 0.148 114.776 114.554 0.123 0.000 2.720 334 T HA -0.211 4.139 4.350 0.001 0.000 0.268 334 T C 1.444 176.290 174.700 0.244 0.000 1.037 334 T CA 1.529 63.739 62.100 0.184 0.000 1.144 334 T CB -0.548 68.484 68.868 0.273 0.000 0.864 334 T HN 0.357 nan 8.240 nan 0.000 0.444 335 Y N 1.763 122.147 120.300 0.140 0.000 2.145 335 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 335 Y C 2.328 178.249 175.900 0.035 0.000 1.145 335 Y CA 0.979 59.142 58.100 0.106 0.000 1.148 335 Y CB -0.616 37.748 38.460 -0.160 0.000 0.981 335 Y HN -0.028 nan 8.280 nan 0.000 0.507 336 V N 0.508 120.546 119.914 0.206 0.000 2.343 336 V HA -0.338 3.783 4.120 0.001 0.000 0.247 336 V C 2.479 178.592 176.094 0.032 0.000 1.051 336 V CA 2.073 64.436 62.300 0.105 0.000 1.036 336 V CB -0.839 31.026 31.823 0.069 0.000 0.654 336 V HN 0.454 nan 8.190 nan 0.000 0.451 337 L N -0.895 120.354 121.223 0.043 0.000 2.046 337 L HA -0.204 4.136 4.340 0.001 0.000 0.208 337 L C 2.477 179.357 176.870 0.018 0.000 1.077 337 L CA 1.354 56.213 54.840 0.030 0.000 0.747 337 L CB -0.610 41.473 42.059 0.040 0.000 0.896 337 L HN 0.342 nan 8.230 nan 0.000 0.432 338 L N -0.625 120.606 121.223 0.012 0.000 1.989 338 L HA -0.256 4.084 4.340 0.001 0.000 0.211 338 L C 2.555 179.408 176.870 -0.028 0.000 1.071 338 L CA 1.930 56.775 54.840 0.008 0.000 0.749 338 L CB -0.435 41.619 42.059 -0.009 0.000 0.890 338 L HN 0.162 nan 8.230 nan 0.000 0.431 339 M N -0.633 118.895 119.600 -0.119 0.000 2.108 339 M HA -0.230 4.251 4.480 0.001 0.000 0.261 339 M C 2.274 178.559 176.300 -0.026 0.000 1.066 339 M CA 1.687 56.927 55.300 -0.100 0.000 1.107 339 M CB -1.150 31.366 32.600 -0.141 0.000 1.356 339 M HN 0.287 nan 8.290 nan 0.000 0.406 340 K N 0.072 120.466 120.400 -0.010 0.000 2.026 340 K HA -0.164 4.156 4.320 0.001 0.000 0.208 340 K C 1.961 178.567 176.600 0.009 0.000 1.048 340 K CA 1.380 57.671 56.287 0.006 0.000 0.929 340 K CB -0.126 32.380 32.500 0.011 0.000 0.713 340 K HN 0.413 nan 8.250 nan 0.000 0.439 341 E N 0.735 120.944 120.200 0.014 0.000 2.150 341 E HA -0.137 4.213 4.350 0.001 0.000 0.193 341 E C 1.993 178.602 176.600 0.014 0.000 0.985 341 E CA 0.757 57.167 56.400 0.018 0.000 0.814 341 E CB 0.035 29.754 29.700 0.031 0.000 0.752 341 E HN 0.202 nan 8.360 nan 0.000 0.466 342 L N 0.284 121.518 121.223 0.017 0.000 2.056 342 L HA -0.146 4.195 4.340 0.001 0.000 0.207 342 L C 2.587 179.456 176.870 -0.002 0.000 1.078 342 L CA 0.820 55.663 54.840 0.005 0.000 0.749 342 L CB -0.193 41.879 42.059 0.022 0.000 0.901 342 L HN 0.030 nan 8.230 nan 0.000 0.433 343 R N 0.724 121.229 120.500 0.008 0.000 2.096 343 R HA -0.128 4.213 4.340 0.001 0.000 0.235 343 R C 2.146 178.455 176.300 0.016 0.000 1.127 343 R CA 1.684 57.794 56.100 0.017 0.000 0.968 343 R CB -0.625 29.685 30.300 0.017 0.000 0.861 343 R HN 0.324 nan 8.270 nan 0.000 0.440 344 A N 0.587 123.413 122.820 0.010 0.000 1.898 344 A HA -0.140 4.180 4.320 0.001 0.000 0.216 344 A C 2.190 179.775 177.584 0.002 0.000 1.181 344 A CA 1.617 53.660 52.037 0.009 0.000 0.620 344 A CB -0.619 18.385 19.000 0.008 0.000 0.819 344 A HN 0.461 nan 8.150 nan 0.000 0.442 345 M N -0.057 119.536 119.600 -0.012 0.000 2.117 345 M HA -0.078 4.402 4.480 0.001 0.000 0.262 345 M C 1.851 178.120 176.300 -0.050 0.000 1.065 345 M CA 1.732 57.011 55.300 -0.035 0.000 1.114 345 M CB -0.809 31.759 32.600 -0.055 0.000 1.361 345 M HN 0.422 nan 8.290 nan 0.000 0.408 346 L N -0.059 121.139 121.223 -0.041 0.000 2.141 346 L HA -0.205 4.136 4.340 0.001 0.000 0.209 346 L C 1.984 178.895 176.870 0.069 0.000 1.094 346 L CA 0.926 55.743 54.840 -0.038 0.000 0.763 346 L CB -0.854 41.218 42.059 0.021 0.000 0.908 346 L HN 0.245 nan 8.230 nan 0.000 0.437 347 D N -0.426 120.009 120.400 0.057 0.000 2.183 347 D HA -0.196 4.445 4.640 0.001 0.000 0.203 347 D C 2.136 178.472 176.300 0.059 0.000 0.969 347 D CA 0.934 54.975 54.000 0.070 0.000 0.842 347 D CB 0.069 40.895 40.800 0.044 0.000 0.957 347 D HN 0.246 nan 8.370 nan 0.000 0.484 348 Q N 0.550 120.368 119.800 0.030 0.000 2.084 348 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 348 Q C 2.039 178.057 176.000 0.029 0.000 0.978 348 Q CA 0.886 56.701 55.803 0.020 0.000 0.844 348 Q CB -0.393 28.344 28.738 -0.002 0.000 0.898 348 Q HN 0.193 nan 8.270 nan 0.000 0.426 349 L N -0.214 121.018 121.223 0.015 0.000 2.093 349 L HA -0.052 4.288 4.340 0.001 0.000 0.208 349 L C 2.050 179.036 176.870 0.194 0.000 1.085 349 L CA 1.865 56.721 54.840 0.025 0.000 0.755 349 L CB -0.669 41.282 42.059 -0.180 0.000 0.904 349 L HN 0.148 nan 8.230 nan 0.000 0.435 350 S N -0.292 115.570 115.700 0.269 0.000 2.399 350 S HA -0.103 4.368 4.470 0.001 0.000 0.231 350 S C 2.006 176.679 174.600 0.120 0.000 1.022 350 S CA 0.976 59.329 58.200 0.254 0.000 0.983 350 S CB -0.463 62.851 63.200 0.190 0.000 0.803 350 S HN 0.636 nan 8.310 nan 0.000 0.480 351 A N 1.166 124.039 122.820 0.088 0.000 2.067 351 A HA -0.009 4.312 4.320 0.001 0.000 0.217 351 A C 1.883 179.495 177.584 0.048 0.000 1.156 351 A CA 0.837 52.906 52.037 0.053 0.000 0.683 351 A CB -0.202 18.821 19.000 0.039 0.000 0.808 351 A HN 0.547 nan 8.150 nan 0.000 0.455 352 E N -0.982 119.254 120.200 0.061 0.000 2.216 352 E HA -0.056 4.294 4.350 0.001 0.000 0.192 352 E C 1.989 178.624 176.600 0.057 0.000 0.973 352 E CA 1.256 57.684 56.400 0.048 0.000 0.851 352 E CB -0.001 29.722 29.700 0.039 0.000 0.804 352 E HN 0.738 nan 8.360 nan 0.000 0.477 353 T N -3.529 111.080 114.554 0.092 0.000 3.000 353 T HA 0.283 4.634 4.350 0.001 0.000 0.248 353 T C 1.688 176.415 174.700 0.045 0.000 1.034 353 T CA 0.575 62.726 62.100 0.085 0.000 1.060 353 T CB 0.765 69.728 68.868 0.158 0.000 0.983 353 T HN 0.249 nan 8.240 nan 0.000 0.482 354 G N 1.835 110.659 108.800 0.041 0.000 2.176 354 G HA2 -0.244 3.716 3.960 0.001 0.000 0.253 354 G HA3 -0.244 3.716 3.960 0.001 0.000 0.253 354 G C 0.243 175.111 174.900 -0.053 0.000 0.979 354 G CA 0.072 45.173 45.100 0.002 0.000 0.641 354 G HN 0.726 nan 8.290 nan 0.000 0.530 355 R N 0.009 120.442 120.500 -0.113 0.000 2.577 355 R HA 0.597 4.937 4.340 0.001 0.000 0.269 355 R C -0.054 175.969 176.300 -0.463 0.000 1.084 355 R CA -0.453 55.462 56.100 -0.307 0.000 1.163 355 R CB 0.489 30.521 30.300 -0.448 0.000 1.100 355 R HN -0.037 nan 8.270 nan 0.000 0.547 356 K N 1.836 121.958 120.400 -0.464 0.000 2.206 356 K HA 0.304 4.625 4.320 0.001 0.000 0.264 356 K C -1.065 175.254 176.600 -0.468 0.000 0.967 356 K CA -0.396 55.692 56.287 -0.331 0.000 0.844 356 K CB 1.295 33.711 32.500 -0.139 0.000 1.099 356 K HN 0.413 nan 8.250 nan 0.000 0.441 357 Y N 0.310 120.631 120.300 0.035 0.000 2.468 357 Y HA 0.332 4.883 4.550 0.001 0.000 0.342 357 Y C 0.501 176.433 175.900 0.054 0.000 1.021 357 Y CA -0.811 57.318 58.100 0.048 0.000 1.079 357 Y CB 1.833 40.318 38.460 0.041 0.000 1.226 357 Y HN 0.445 nan 8.280 nan 0.000 0.460 358 E N 1.807 122.154 120.200 0.244 0.000 2.202 358 E HA 0.537 4.888 4.350 0.001 0.000 0.272 358 E C -1.689 175.013 176.600 0.170 0.000 0.951 358 E CA -1.121 55.389 56.400 0.184 0.000 0.813 358 E CB 2.351 32.192 29.700 0.235 0.000 1.151 358 E HN 0.350 nan 8.360 nan 0.000 0.398 359 L N 2.307 123.598 121.223 0.114 0.000 2.376 359 L HA 0.466 4.807 4.340 0.001 0.000 0.275 359 L C -0.708 176.211 176.870 0.081 0.000 0.987 359 L CA 0.004 54.901 54.840 0.094 0.000 0.828 359 L CB 1.509 43.601 42.059 0.055 0.000 1.249 359 L HN 0.699 nan 8.230 nan 0.000 0.409 360 T N 0.746 115.378 114.554 0.130 0.000 2.804 360 T HA 0.875 5.226 4.350 0.001 0.000 0.290 360 T C -0.663 174.139 174.700 0.170 0.000 1.099 360 T CA -0.679 61.485 62.100 0.107 0.000 1.011 360 T CB 1.662 70.644 68.868 0.190 0.000 1.291 360 T HN 0.709 nan 8.240 nan 0.000 0.523 361 S N -0.692 115.112 115.700 0.173 0.000 2.548 361 S HA 0.647 5.118 4.470 0.001 0.000 0.278 361 S C -1.243 173.530 174.600 0.287 0.000 1.150 361 S CA -0.388 57.968 58.200 0.260 0.000 0.907 361 S CB 0.988 64.347 63.200 0.266 0.000 1.108 361 S HN 1.395 nan 8.310 nan 0.000 0.459 362 A N 4.347 127.369 122.820 0.336 0.000 2.289 362 A HA 0.780 5.101 4.320 0.001 0.000 0.298 362 A C 0.046 177.749 177.584 0.198 0.000 1.208 362 A CA -0.646 51.557 52.037 0.277 0.000 0.845 362 A CB -0.239 18.943 19.000 0.304 0.000 1.125 362 A HN 1.190 nan 8.150 nan 0.000 0.517 363 I N -0.096 120.552 120.570 0.130 0.000 3.002 363 I HA 0.711 4.881 4.170 0.001 0.000 0.310 363 I C 0.082 176.253 176.117 0.089 0.000 1.087 363 I CA -0.781 60.579 61.300 0.100 0.000 1.017 363 I CB 2.032 40.008 38.000 -0.040 0.000 1.226 363 I HN 0.454 nan 8.210 nan 0.000 0.443 364 S N 2.031 117.813 115.700 0.136 0.000 2.562 364 S HA 0.441 4.912 4.470 0.001 0.000 0.281 364 S C 0.929 175.455 174.600 -0.123 0.000 1.333 364 S CA 0.184 58.379 58.200 -0.009 0.000 1.052 364 S CB 1.108 64.155 63.200 -0.255 0.000 0.884 364 S HN 0.870 nan 8.310 nan 0.000 0.506 365 A N 3.988 126.710 122.820 -0.164 0.000 2.275 365 A HA 0.401 4.721 4.320 0.001 0.000 0.212 365 A C 1.096 178.539 177.584 -0.235 0.000 1.201 365 A CA 0.272 52.243 52.037 -0.111 0.000 0.843 365 A CB -0.611 18.422 19.000 0.056 0.000 0.873 365 A HN 0.957 nan 8.150 nan 0.000 0.492 366 G N -0.203 108.338 108.800 -0.431 0.000 2.364 366 G HA2 0.307 4.268 3.960 0.001 0.000 0.267 366 G HA3 0.307 4.268 3.960 0.001 0.000 0.267 366 G C 0.682 175.446 174.900 -0.227 0.000 1.233 366 G CA -0.039 44.705 45.100 -0.594 0.000 0.885 366 G HN 0.405 nan 8.290 nan 0.000 0.490 367 K N 1.730 122.048 120.400 -0.135 0.000 2.074 367 K HA -0.192 4.128 4.320 0.001 0.000 0.209 367 K C 2.113 178.694 176.600 -0.032 0.000 1.048 367 K CA 2.025 58.277 56.287 -0.059 0.000 0.926 367 K CB -0.028 32.453 32.500 -0.032 0.000 0.713 367 K HN 0.696 nan 8.250 nan 0.000 0.444 368 D N 0.637 121.037 120.400 0.001 0.000 2.149 368 D HA -0.232 4.408 4.640 0.001 0.000 0.198 368 D C 1.297 177.573 176.300 -0.039 0.000 0.990 368 D CA 1.523 55.522 54.000 -0.002 0.000 0.839 368 D CB -0.161 40.660 40.800 0.035 0.000 0.948 368 D HN 0.332 nan 8.370 nan 0.000 0.460 369 K N -0.113 120.244 120.400 -0.072 0.000 2.186 369 K HA 0.168 4.488 4.320 0.001 0.000 0.202 369 K C 2.508 179.065 176.600 -0.071 0.000 1.052 369 K CA 0.200 56.426 56.287 -0.102 0.000 0.965 369 K CB 0.254 32.639 32.500 -0.191 0.000 0.746 369 K HN 0.164 nan 8.250 nan 0.000 0.457 370 I N 1.782 122.335 120.570 -0.028 0.000 2.286 370 I HA -0.241 3.930 4.170 0.001 0.000 0.248 370 I C 1.141 177.286 176.117 0.046 0.000 1.115 370 I CA 1.136 62.495 61.300 0.099 0.000 1.392 370 I CB -0.174 37.855 38.000 0.049 0.000 1.065 370 I HN 0.115 nan 8.210 nan 0.000 0.418 371 D N 1.024 121.412 120.400 -0.021 0.000 2.378 371 D HA -0.078 4.563 4.640 0.001 0.000 0.227 371 D C 1.610 177.850 176.300 -0.099 0.000 1.012 371 D CA 0.726 54.698 54.000 -0.047 0.000 0.905 371 D CB 0.003 40.782 40.800 -0.035 0.000 0.895 371 D HN 0.390 nan 8.370 nan 0.000 0.532 372 K N -0.039 120.277 120.400 -0.140 0.000 2.404 372 K HA 0.133 4.453 4.320 0.001 0.000 0.194 372 K C 0.107 176.530 176.600 -0.296 0.000 1.023 372 K CA 0.126 56.303 56.287 -0.182 0.000 1.094 372 K CB 1.399 33.796 32.500 -0.171 0.000 0.841 372 K HN -0.098 nan 8.250 nan 0.000 0.523 373 V N 0.564 120.229 119.914 -0.415 0.000 2.789 373 V HA 0.370 4.491 4.120 0.001 0.000 0.311 373 V C -0.737 175.004 176.094 -0.587 0.000 1.073 373 V CA -1.221 60.675 62.300 -0.674 0.000 0.921 373 V CB 1.780 32.787 31.823 -1.360 0.000 1.009 373 V HN 0.024 nan 8.190 nan 0.000 0.426 374 A N 2.616 125.187 122.820 -0.415 0.000 3.078 374 A HA 0.410 4.731 4.320 0.001 0.000 0.279 374 A C 0.391 177.866 177.584 -0.181 0.000 1.594 374 A CA -0.125 51.781 52.037 -0.218 0.000 1.301 374 A CB -0.663 18.271 19.000 -0.111 0.000 1.162 374 A HN 0.826 nan 8.150 nan 0.000 0.585 375 Y N 1.338 121.608 120.300 -0.049 0.000 2.333 375 Y HA -0.243 4.307 4.550 0.001 0.000 0.290 375 Y C 2.419 178.318 175.900 -0.002 0.000 1.144 375 Y CA 1.656 59.745 58.100 -0.020 0.000 1.228 375 Y CB -0.276 38.155 38.460 -0.049 0.000 0.985 375 Y HN 0.793 nan 8.280 nan 0.000 0.542 376 N N -0.139 118.632 118.700 0.118 0.000 2.443 376 N HA -0.117 4.624 4.740 0.001 0.000 0.184 376 N C 1.398 176.939 175.510 0.051 0.000 1.037 376 N CA 1.598 54.689 53.050 0.069 0.000 0.896 376 N CB -0.644 37.867 38.487 0.039 0.000 0.959 376 N HN 0.306 nan 8.380 nan 0.000 0.442 377 V N 0.646 120.587 119.914 0.045 0.000 2.788 377 V HA 0.187 4.308 4.120 0.001 0.000 0.241 377 V C 2.704 178.831 176.094 0.056 0.000 1.083 377 V CA 0.992 63.312 62.300 0.035 0.000 1.103 377 V CB -0.607 31.225 31.823 0.015 0.000 0.800 377 V HN 0.387 nan 8.190 nan 0.000 0.476 378 A N 1.061 123.934 122.820 0.089 0.000 1.972 378 A HA -0.273 4.048 4.320 0.001 0.000 0.219 378 A C 2.205 179.862 177.584 0.123 0.000 1.169 378 A CA 1.879 53.995 52.037 0.132 0.000 0.635 378 A CB -0.557 18.601 19.000 0.264 0.000 0.810 378 A HN 0.760 nan 8.150 nan 0.000 0.446 379 Q N -0.209 119.665 119.800 0.124 0.000 2.297 379 Q HA -0.196 4.144 4.340 0.001 0.000 0.208 379 Q C 0.961 176.979 176.000 0.031 0.000 0.981 379 Q CA 1.569 57.417 55.803 0.074 0.000 0.876 379 Q CB -0.558 28.215 28.738 0.058 0.000 0.921 379 Q HN 0.573 nan 8.270 nan 0.000 0.446 380 N N 0.224 118.944 118.700 0.032 0.000 2.550 380 N HA -0.017 4.724 4.740 0.001 0.000 0.186 380 N C 0.571 176.088 175.510 0.011 0.000 1.110 380 N CA 1.042 54.101 53.050 0.015 0.000 0.912 380 N CB 0.308 38.805 38.487 0.017 0.000 0.968 380 N HN 0.283 nan 8.380 nan 0.000 0.448 381 S N -0.333 115.377 115.700 0.017 0.000 2.540 381 S HA 0.304 4.775 4.470 0.001 0.000 0.222 381 S C 0.620 175.223 174.600 0.006 0.000 1.008 381 S CA -0.184 58.023 58.200 0.012 0.000 0.939 381 S CB 0.834 64.042 63.200 0.014 0.000 0.865 381 S HN 0.145 nan 8.310 nan 0.000 0.499 382 M N 1.215 120.815 119.600 -0.000 0.000 2.537 382 M HA 0.420 4.900 4.480 0.001 0.000 0.324 382 M C 0.087 176.330 176.300 -0.095 0.000 1.187 382 M CA -0.481 54.805 55.300 -0.023 0.000 0.993 382 M CB 1.265 33.868 32.600 0.005 0.000 1.666 382 M HN -0.141 nan 8.290 nan 0.000 0.461 383 D N -0.233 120.071 120.400 -0.159 0.000 2.262 383 D HA 0.072 4.712 4.640 0.001 0.000 0.212 383 D C 0.037 175.908 176.300 -0.716 0.000 0.964 383 D CA 1.200 54.964 54.000 -0.392 0.000 0.875 383 D CB 0.545 41.136 40.800 -0.349 0.000 0.996 383 D HN 0.484 nan 8.370 nan 0.000 0.497 384 H N -0.790 118.162 119.070 -0.198 0.000 3.012 384 H HA 0.446 5.002 4.556 0.001 0.000 0.367 384 H C -0.625 174.403 175.328 -0.499 0.000 1.211 384 H CA -0.515 55.287 56.048 -0.410 0.000 1.139 384 H CB 2.110 31.456 29.762 -0.694 0.000 1.838 384 H HN -0.159 nan 8.280 nan 0.000 0.550 385 I N 2.706 123.060 120.570 -0.361 0.000 2.420 385 I HA 0.127 4.297 4.170 0.001 0.000 0.282 385 I C -0.721 175.183 176.117 -0.354 0.000 1.019 385 I CA -0.551 60.567 61.300 -0.303 0.000 1.130 385 I CB 0.744 38.626 38.000 -0.198 0.000 1.262 385 I HN 0.252 nan 8.210 nan 0.000 0.454 386 F N 6.813 126.681 119.950 -0.136 0.000 2.464 386 F HA 0.200 4.727 4.527 0.001 0.000 0.353 386 F C 0.242 175.985 175.800 -0.095 0.000 1.191 386 F CA -0.595 57.187 58.000 -0.363 0.000 1.147 386 F CB 0.388 38.847 39.000 -0.901 0.000 1.294 386 F HN 0.298 nan 8.300 nan 0.000 0.583 387 L N 5.359 126.748 121.223 0.277 0.000 2.456 387 L HA 0.201 4.542 4.340 0.001 0.000 0.277 387 L C 0.309 177.339 176.870 0.267 0.000 1.124 387 L CA 0.225 55.180 54.840 0.191 0.000 0.880 387 L CB 0.170 42.303 42.059 0.122 0.000 1.192 387 L HN 0.510 nan 8.230 nan 0.000 0.463 388 M N 4.634 124.250 119.600 0.026 0.000 3.596 388 M HA 0.068 4.549 4.480 0.001 0.000 0.212 388 M C 0.763 176.584 176.300 -0.798 0.000 1.519 388 M CA 0.081 55.091 55.300 -0.484 0.000 1.670 388 M CB -0.678 31.680 32.600 -0.402 0.000 1.113 388 M HN 0.739 nan 8.290 nan 0.000 0.565 389 S N 1.156 116.536 115.700 -0.532 0.000 3.864 389 S HA 0.225 4.695 4.470 0.001 0.000 0.202 389 S C -0.515 173.653 174.600 -0.719 0.000 1.402 389 S CA -0.459 57.487 58.200 -0.423 0.000 1.072 389 S CB -1.170 62.044 63.200 0.023 0.000 1.383 389 S HN 0.579 nan 8.310 nan 0.000 0.458 390 Y N -3.244 116.548 120.300 -0.848 0.000 2.764 390 Y HA 0.591 5.141 4.550 0.001 0.000 0.331 390 Y C -0.291 175.299 175.900 -0.517 0.000 1.280 390 Y CA -1.752 55.968 58.100 -0.633 0.000 1.065 390 Y CB -0.157 38.176 38.460 -0.211 0.000 1.319 390 Y HN 0.121 nan 8.280 nan 0.000 0.453 391 D N -0.344 120.151 120.400 0.159 0.000 2.945 391 D HA -0.200 4.440 4.640 0.001 0.000 0.225 391 D C 0.494 177.003 176.300 0.349 0.000 1.158 391 D CA 1.145 55.326 54.000 0.302 0.000 0.805 391 D CB -1.260 39.707 40.800 0.277 0.000 1.098 391 D HN 0.526 nan 8.370 nan 0.000 0.426 392 F N -0.557 119.622 119.950 0.383 0.000 2.216 392 F HA -0.021 4.506 4.527 0.001 0.000 0.300 392 F C 1.098 177.032 175.800 0.223 0.000 1.085 392 F CA 1.029 59.243 58.000 0.358 0.000 1.326 392 F CB -0.181 39.045 39.000 0.376 0.000 1.027 392 F HN 0.076 nan 8.300 nan 0.000 0.497 393 Y N -1.710 118.967 120.300 0.628 0.000 2.581 393 Y HA 0.650 5.201 4.550 0.001 0.000 0.345 393 Y C 0.475 176.413 175.900 0.064 0.000 1.036 393 Y CA -1.042 57.333 58.100 0.458 0.000 1.042 393 Y CB 1.864 40.620 38.460 0.494 0.000 1.289 393 Y HN -0.126 nan 8.280 nan 0.000 0.471 394 G N -0.522 108.020 108.800 -0.429 0.000 2.342 394 G HA2 0.435 4.395 3.960 0.001 0.000 0.297 394 G HA3 0.435 4.395 3.960 0.001 0.000 0.297 394 G C -0.391 173.988 174.900 -0.867 0.000 1.313 394 G CA -0.236 44.294 45.100 -0.950 0.000 0.830 394 G HN 0.818 nan 8.290 nan 0.000 0.506 395 A N -0.633 121.749 122.820 -0.731 0.000 2.225 395 A HA 0.229 4.549 4.320 0.001 0.000 0.215 395 A C 1.848 179.419 177.584 -0.020 0.000 1.164 395 A CA 2.020 53.896 52.037 -0.269 0.000 0.710 395 A CB -0.931 17.954 19.000 -0.192 0.000 0.780 395 A HN 1.303 nan 8.150 nan 0.000 0.473 396 F N -1.110 118.930 119.950 0.150 0.000 2.699 396 F HA 0.230 4.758 4.527 0.001 0.000 0.298 396 F C 0.242 176.149 175.800 0.179 0.000 1.154 396 F CA -0.212 57.868 58.000 0.134 0.000 1.457 396 F CB -0.223 38.824 39.000 0.078 0.000 1.106 396 F HN 0.136 nan 8.300 nan 0.000 0.585 397 D N 0.815 121.330 120.400 0.193 0.000 2.386 397 D HA 0.238 4.879 4.640 0.001 0.000 0.247 397 D C 0.229 176.662 176.300 0.222 0.000 1.336 397 D CA -0.251 53.899 54.000 0.249 0.000 0.976 397 D CB 0.990 41.967 40.800 0.295 0.000 1.257 397 D HN 0.194 nan 8.370 nan 0.000 0.570 398 L N 2.503 123.821 121.223 0.158 0.000 2.591 398 L HA 0.152 4.493 4.340 0.001 0.000 0.228 398 L C 2.008 178.843 176.870 -0.057 0.000 1.133 398 L CA 0.352 55.235 54.840 0.072 0.000 0.880 398 L CB 0.238 42.359 42.059 0.103 0.000 1.033 398 L HN 0.126 nan 8.230 nan 0.000 0.450 399 K N -0.192 120.197 120.400 -0.018 0.000 2.172 399 K HA 0.129 4.450 4.320 0.001 0.000 0.203 399 K C 0.319 176.879 176.600 -0.066 0.000 1.040 399 K CA 0.247 56.508 56.287 -0.043 0.000 0.974 399 K CB 0.376 32.878 32.500 0.003 0.000 0.857 399 K HN 0.180 nan 8.250 nan 0.000 0.464 400 N N 2.501 121.205 118.700 0.008 0.000 2.500 400 N HA 0.197 4.938 4.740 0.001 0.000 0.236 400 N C -0.652 174.919 175.510 0.102 0.000 1.022 400 N CA 0.092 53.182 53.050 0.067 0.000 0.935 400 N CB 0.971 39.553 38.487 0.157 0.000 1.147 400 N HN 0.061 nan 8.380 nan 0.000 0.512 401 L N 0.676 121.796 121.223 -0.172 0.000 2.375 401 L HA 0.825 5.166 4.340 0.001 0.000 0.268 401 L C 1.101 177.654 176.870 -0.529 0.000 1.058 401 L CA -0.737 53.844 54.840 -0.431 0.000 0.803 401 L CB 1.455 43.006 42.059 -0.846 0.000 1.212 401 L HN 0.464 nan 8.230 nan 0.000 0.451 402 G N -1.181 107.213 108.800 -0.677 0.000 2.349 402 G HA2 0.204 4.164 3.960 0.001 0.000 0.294 402 G HA3 0.204 4.164 3.960 0.001 0.000 0.294 402 G C -1.551 172.891 174.900 -0.762 0.000 1.380 402 G CA -0.816 43.505 45.100 -1.297 0.000 0.811 402 G HN 0.463 nan 8.290 nan 0.000 0.519 403 H N 0.894 119.579 119.070 -0.641 0.000 2.975 403 H HA 0.114 4.670 4.556 0.001 0.000 0.303 403 H C 1.544 177.049 175.328 0.294 0.000 1.023 403 H CA 0.852 56.784 56.048 -0.193 0.000 1.473 403 H CB 1.739 31.349 29.762 -0.255 0.000 1.498 403 H HN 0.735 nan 8.280 nan 0.000 0.549 404 Q N 1.568 121.657 119.800 0.481 0.000 2.378 404 Q HA -0.043 4.297 4.340 0.001 0.000 0.205 404 Q C 0.922 177.157 176.000 0.391 0.000 0.954 404 Q CA 1.445 57.556 55.803 0.514 0.000 0.901 404 Q CB 0.597 29.532 28.738 0.329 0.000 0.981 404 Q HN 0.483 nan 8.270 nan 0.000 0.483 405 T N -0.935 113.816 114.554 0.329 0.000 3.567 405 T HA 0.518 4.869 4.350 0.001 0.000 0.314 405 T C -0.215 174.611 174.700 0.209 0.000 0.942 405 T CA 0.079 62.304 62.100 0.209 0.000 0.997 405 T CB -0.036 68.851 68.868 0.032 0.000 1.205 405 T HN 0.454 nan 8.240 nan 0.000 0.518 406 A N 0.824 123.765 122.820 0.201 0.000 2.448 406 A HA 0.541 4.862 4.320 0.001 0.000 0.239 406 A C 1.379 178.958 177.584 -0.009 0.000 1.080 406 A CA -0.151 51.864 52.037 -0.037 0.000 0.779 406 A CB 0.057 18.950 19.000 -0.179 0.000 1.026 406 A HN 0.489 nan 8.150 nan 0.000 0.499 407 L N 0.610 121.756 121.223 -0.129 0.000 2.102 407 L HA 0.124 4.465 4.340 0.001 0.000 0.202 407 L C 0.656 177.391 176.870 -0.225 0.000 1.076 407 L CA 1.414 56.144 54.840 -0.182 0.000 0.761 407 L CB -0.360 41.560 42.059 -0.232 0.000 0.921 407 L HN 0.761 nan 8.230 nan 0.000 0.444 408 N N -0.880 117.688 118.700 -0.220 0.000 2.653 408 N HA 0.509 5.250 4.740 0.001 0.000 0.294 408 N C -0.753 174.622 175.510 -0.224 0.000 1.305 408 N CA -0.052 52.869 53.050 -0.216 0.000 0.827 408 N CB 1.069 39.437 38.487 -0.198 0.000 1.415 408 N HN 0.150 nan 8.380 nan 0.000 0.546 409 A N 1.041 123.724 122.820 -0.228 0.000 2.351 409 A HA 0.457 4.778 4.320 0.001 0.000 0.257 409 A C -2.085 175.272 177.584 -0.379 0.000 1.087 409 A CA -0.910 50.960 52.037 -0.279 0.000 0.798 409 A CB -0.317 18.538 19.000 -0.243 0.000 1.033 409 A HN 0.432 nan 8.150 nan 0.000 0.488 410 P HA 0.239 nan 4.420 nan 0.000 0.276 410 P C 0.548 177.401 177.300 -0.745 0.000 1.261 410 P CA 0.328 62.861 63.100 -0.945 0.000 0.800 410 P CB 1.131 31.548 31.700 -2.139 0.000 1.066 411 A N 0.936 123.437 122.820 -0.532 0.000 1.969 411 A HA -0.134 4.187 4.320 0.001 0.000 0.218 411 A C 1.731 179.242 177.584 -0.121 0.000 1.169 411 A CA 1.221 53.134 52.037 -0.207 0.000 0.635 411 A CB -1.581 17.408 19.000 -0.018 0.000 0.810 411 A HN 0.806 nan 8.150 nan 0.000 0.445 412 W N -0.993 120.269 121.300 -0.063 0.000 3.077 412 W HA 0.371 5.032 4.660 0.001 0.000 0.245 412 W C 0.441 176.914 176.519 -0.077 0.000 1.316 412 W CA 0.589 57.895 57.345 -0.066 0.000 1.537 412 W CB 0.104 29.519 29.460 -0.075 0.000 1.131 412 W HN 0.138 nan 8.180 nan 0.000 0.695 413 K N 1.630 121.803 120.400 -0.379 0.000 2.956 413 K HA 0.082 4.403 4.320 0.001 0.000 0.239 413 K C -2.207 174.224 176.600 -0.282 0.000 1.253 413 K CA -0.744 55.394 56.287 -0.249 0.000 0.963 413 K CB 0.878 33.255 32.500 -0.204 0.000 1.297 413 K HN -0.290 nan 8.250 nan 0.000 0.566 414 P HA -0.129 nan 4.420 nan 0.000 0.230 414 P C 0.151 177.372 177.300 -0.131 0.000 1.158 414 P CA 0.936 63.934 63.100 -0.170 0.000 0.769 414 P CB 0.202 31.830 31.700 -0.120 0.000 0.807 415 D N -1.270 119.066 120.400 -0.107 0.000 2.328 415 D HA -0.010 4.630 4.640 0.001 0.000 0.221 415 D C -0.072 176.183 176.300 -0.075 0.000 1.072 415 D CA 0.013 53.967 54.000 -0.077 0.000 0.850 415 D CB -0.959 39.810 40.800 -0.052 0.000 0.922 415 D HN -0.037 nan 8.370 nan 0.000 0.516 416 T N 1.094 115.586 114.554 -0.103 0.000 2.866 416 T HA 0.235 4.585 4.350 0.001 0.000 0.293 416 T C 1.348 176.008 174.700 -0.065 0.000 1.005 416 T CA 0.318 62.374 62.100 -0.074 0.000 1.162 416 T CB 1.509 70.308 68.868 -0.114 0.000 0.968 416 T HN 0.249 nan 8.240 nan 0.000 0.530 417 A N 3.962 126.767 122.820 -0.024 0.000 1.855 417 A HA 0.045 4.365 4.320 0.001 0.000 0.213 417 A C 0.667 178.264 177.584 0.021 0.000 1.195 417 A CA 0.672 52.714 52.037 0.008 0.000 0.610 417 A CB -0.390 18.639 19.000 0.049 0.000 0.837 417 A HN 0.748 nan 8.150 nan 0.000 0.444 418 Y N 2.288 122.410 120.300 -0.297 0.000 2.576 418 Y HA 0.330 4.881 4.550 0.001 0.000 0.348 418 Y C 0.982 176.220 175.900 -1.102 0.000 1.212 418 Y CA 0.014 57.739 58.100 -0.624 0.000 1.683 418 Y CB -0.846 37.340 38.460 -0.457 0.000 1.484 418 Y HN 0.373 nan 8.280 nan 0.000 0.477 419 T N -2.992 111.035 114.554 -0.877 0.000 2.883 419 T HA 0.294 4.644 4.350 0.001 0.000 0.296 419 T C 1.051 175.489 174.700 -0.436 0.000 1.117 419 T CA -0.693 60.994 62.100 -0.689 0.000 1.006 419 T CB 1.642 70.318 68.868 -0.319 0.000 1.191 419 T HN 0.200 nan 8.240 nan 0.000 0.508 420 T N 1.039 115.541 114.554 -0.088 0.000 2.746 420 T HA -0.079 4.272 4.350 0.001 0.000 0.267 420 T C 2.073 176.751 174.700 -0.037 0.000 1.039 420 T CA 1.466 63.610 62.100 0.074 0.000 1.142 420 T CB -0.357 68.549 68.868 0.063 0.000 0.866 420 T HN 0.504 nan 8.240 nan 0.000 0.444 421 V N 2.599 122.420 119.914 -0.155 0.000 2.343 421 V HA -0.164 3.956 4.120 0.001 0.000 0.247 421 V C 2.412 178.480 176.094 -0.043 0.000 1.051 421 V CA 1.396 63.626 62.300 -0.115 0.000 1.036 421 V CB -0.599 31.109 31.823 -0.192 0.000 0.654 421 V HN 0.461 nan 8.190 nan 0.000 0.451 422 N N 0.897 119.538 118.700 -0.098 0.000 2.223 422 N HA -0.109 4.631 4.740 0.001 0.000 0.185 422 N C 1.881 177.350 175.510 -0.070 0.000 1.016 422 N CA 1.582 54.580 53.050 -0.086 0.000 0.863 422 N CB -0.485 37.928 38.487 -0.123 0.000 0.983 422 N HN 0.549 nan 8.380 nan 0.000 0.429 423 G N 0.720 109.477 108.800 -0.072 0.000 2.404 423 G HA2 -0.137 3.823 3.960 0.001 0.000 0.215 423 G HA3 -0.137 3.823 3.960 0.001 0.000 0.215 423 G C 1.734 176.623 174.900 -0.019 0.000 1.174 423 G CA 0.598 45.665 45.100 -0.054 0.000 0.780 423 G HN 0.170 nan 8.290 nan 0.000 0.537 424 V N 1.786 121.722 119.914 0.036 0.000 2.295 424 V HA -0.206 3.915 4.120 0.001 0.000 0.246 424 V C 2.680 178.794 176.094 0.034 0.000 1.049 424 V CA 1.866 64.203 62.300 0.062 0.000 1.024 424 V CB -0.522 31.410 31.823 0.183 0.000 0.648 424 V HN 0.314 nan 8.190 nan 0.000 0.447 425 N N 0.780 119.503 118.700 0.038 0.000 2.104 425 N HA -0.155 4.586 4.740 0.001 0.000 0.190 425 N C 1.937 177.448 175.510 0.002 0.000 1.024 425 N CA 1.762 54.824 53.050 0.021 0.000 0.853 425 N CB -0.582 37.913 38.487 0.013 0.000 1.008 425 N HN 0.500 nan 8.380 nan 0.000 0.424 426 A N 1.453 124.267 122.820 -0.010 0.000 1.908 426 A HA -0.099 4.222 4.320 0.001 0.000 0.218 426 A C 2.432 180.016 177.584 -0.000 0.000 1.181 426 A CA 1.071 53.101 52.037 -0.011 0.000 0.627 426 A CB -0.758 18.227 19.000 -0.025 0.000 0.818 426 A HN 0.214 nan 8.150 nan 0.000 0.445 427 L N -0.819 120.395 121.223 -0.015 0.000 2.027 427 L HA -0.143 4.197 4.340 0.001 0.000 0.206 427 L C 2.567 179.438 176.870 0.001 0.000 1.074 427 L CA 1.043 55.872 54.840 -0.018 0.000 0.745 427 L CB -0.565 41.445 42.059 -0.081 0.000 0.898 427 L HN 0.359 nan 8.230 nan 0.000 0.433 428 L N -0.245 120.976 121.223 -0.003 0.000 2.079 428 L HA -0.211 4.129 4.340 0.001 0.000 0.210 428 L C 2.848 179.721 176.870 0.005 0.000 1.081 428 L CA 1.094 55.934 54.840 -0.001 0.000 0.752 428 L CB -0.772 41.287 42.059 -0.001 0.000 0.896 428 L HN 0.266 nan 8.230 nan 0.000 0.433 429 A N -0.611 122.212 122.820 0.006 0.000 1.972 429 A HA -0.231 4.089 4.320 0.001 0.000 0.219 429 A C 2.217 179.807 177.584 0.009 0.000 1.169 429 A CA 1.397 53.437 52.037 0.005 0.000 0.635 429 A CB -0.359 18.642 19.000 0.002 0.000 0.810 429 A HN 0.481 nan 8.150 nan 0.000 0.446 430 Q N -2.161 117.650 119.800 0.019 0.000 2.230 430 Q HA 0.145 4.486 4.340 0.001 0.000 0.202 430 Q C 1.268 177.282 176.000 0.022 0.000 0.963 430 Q CA 0.803 56.622 55.803 0.025 0.000 0.866 430 Q CB 0.034 28.805 28.738 0.055 0.000 0.931 430 Q HN 0.886 nan 8.270 nan 0.000 0.452 431 G N -0.253 108.559 108.800 0.020 0.000 2.227 431 G HA2 -0.173 3.788 3.960 0.001 0.000 0.168 431 G HA3 -0.173 3.788 3.960 0.001 0.000 0.168 431 G C -0.032 174.879 174.900 0.018 0.000 1.006 431 G CA -0.230 44.879 45.100 0.015 0.000 0.684 431 G HN 0.132 nan 8.290 nan 0.000 0.489 432 V N 1.932 121.860 119.914 0.024 0.000 2.655 432 V HA 0.212 4.333 4.120 0.001 0.000 0.300 432 V C 1.112 177.205 176.094 -0.001 0.000 1.044 432 V CA 0.175 62.486 62.300 0.018 0.000 1.095 432 V CB 1.048 32.879 31.823 0.013 0.000 0.952 432 V HN 0.329 nan 8.190 nan 0.000 0.485 433 K N 7.610 128.007 120.400 -0.005 0.000 2.401 433 K HA 0.129 4.450 4.320 0.001 0.000 0.278 433 K C -1.293 175.294 176.600 -0.022 0.000 1.018 433 K CA -1.066 55.214 56.287 -0.013 0.000 0.981 433 K CB 0.626 33.118 32.500 -0.013 0.000 0.933 433 K HN 0.464 nan 8.250 nan 0.000 0.477 434 P HA -0.187 nan 4.420 nan 0.000 0.215 434 P C 1.182 178.462 177.300 -0.033 0.000 1.153 434 P CA 1.427 64.505 63.100 -0.038 0.000 0.853 434 P CB 0.054 31.725 31.700 -0.048 0.000 0.788 435 G N 0.251 109.037 108.800 -0.022 0.000 2.586 435 G HA2 -0.178 3.782 3.960 0.001 0.000 0.215 435 G HA3 -0.178 3.782 3.960 0.001 0.000 0.215 435 G C 1.597 176.501 174.900 0.007 0.000 1.128 435 G CA 0.328 45.425 45.100 -0.006 0.000 0.774 435 G HN 0.271 nan 8.290 nan 0.000 0.543 436 K N -0.185 120.206 120.400 -0.015 0.000 2.314 436 K HA 0.180 4.501 4.320 0.001 0.000 0.198 436 K C 0.702 177.279 176.600 -0.040 0.000 1.045 436 K CA -0.007 56.262 56.287 -0.029 0.000 0.988 436 K CB 0.471 32.940 32.500 -0.051 0.000 0.783 436 K HN 0.339 nan 8.250 nan 0.000 0.484 437 I N 2.453 123.002 120.570 -0.034 0.000 2.352 437 I HA 0.053 4.224 4.170 0.001 0.000 0.290 437 I C -0.199 175.929 176.117 0.018 0.000 1.036 437 I CA -0.558 60.724 61.300 -0.029 0.000 1.336 437 I CB 1.155 39.142 38.000 -0.022 0.000 1.407 437 I HN -0.341 nan 8.210 nan 0.000 0.497 438 V N 7.599 127.542 119.914 0.048 0.000 2.334 438 V HA 0.230 4.351 4.120 0.001 0.000 0.281 438 V C 0.326 176.648 176.094 0.381 0.000 1.016 438 V CA -0.737 61.679 62.300 0.192 0.000 0.832 438 V CB 1.504 33.452 31.823 0.209 0.000 0.999 438 V HN 0.409 nan 8.190 nan 0.000 0.439 439 V N 4.168 124.267 119.914 0.308 0.000 2.715 439 V HA 0.433 4.553 4.120 0.001 0.000 0.299 439 V C 1.124 177.369 176.094 0.252 0.000 1.054 439 V CA 0.256 62.725 62.300 0.282 0.000 1.077 439 V CB 1.350 33.307 31.823 0.223 0.000 0.972 439 V HN 0.962 nan 8.190 nan 0.000 0.484 440 G N 2.791 111.642 108.800 0.085 0.000 2.400 440 G HA2 0.618 4.579 3.960 0.001 0.000 0.301 440 G HA3 0.618 4.579 3.960 0.001 0.000 0.301 440 G C -0.139 174.682 174.900 -0.131 0.000 1.154 440 G CA -0.023 44.840 45.100 -0.396 0.000 0.852 440 G HN 0.879 nan 8.290 nan 0.000 0.511 441 T N -1.729 112.716 114.554 -0.182 0.000 2.916 441 T HA 0.757 5.108 4.350 0.001 0.000 0.292 441 T C -0.315 174.326 174.700 -0.099 0.000 1.055 441 T CA -0.543 61.511 62.100 -0.076 0.000 1.009 441 T CB 2.106 70.924 68.868 -0.083 0.000 1.118 441 T HN 1.169 nan 8.240 nan 0.000 0.497 442 A N 2.498 125.231 122.820 -0.145 0.000 2.318 442 A HA 0.704 5.024 4.320 0.001 0.000 0.324 442 A C 0.418 177.891 177.584 -0.185 0.000 1.170 442 A CA -1.039 50.820 52.037 -0.297 0.000 0.810 442 A CB 0.672 19.258 19.000 -0.690 0.000 1.198 442 A HN 0.956 nan 8.150 nan 0.000 0.484 443 M N 2.434 122.036 119.600 0.004 0.000 2.738 443 M HA 0.264 4.744 4.480 0.001 0.000 0.295 443 M C -0.983 175.471 176.300 0.257 0.000 1.266 443 M CA 0.149 55.487 55.300 0.064 0.000 0.985 443 M CB -0.569 32.044 32.600 0.022 0.000 1.365 443 M HN 0.750 nan 8.290 nan 0.000 0.492 444 Y N -3.278 117.095 120.300 0.122 0.000 2.656 444 Y HA 0.857 5.407 4.550 0.001 0.000 0.334 444 Y C -0.659 175.360 175.900 0.199 0.000 1.179 444 Y CA -1.817 56.369 58.100 0.143 0.000 1.050 444 Y CB 0.423 38.944 38.460 0.102 0.000 1.308 444 Y HN -0.055 nan 8.280 nan 0.000 0.456 445 G N 1.228 110.151 108.800 0.205 0.000 2.473 445 G HA2 0.727 4.687 3.960 0.001 0.000 0.321 445 G HA3 0.727 4.687 3.960 0.001 0.000 0.321 445 G C -1.597 173.418 174.900 0.192 0.000 1.200 445 G CA -1.485 43.723 45.100 0.180 0.000 0.963 445 G HN 0.677 nan 8.290 nan 0.000 0.483 446 R N -0.470 120.093 120.500 0.106 0.000 2.562 446 R HA 0.686 5.026 4.340 0.001 0.000 0.298 446 R C -0.209 175.914 176.300 -0.295 0.000 0.961 446 R CA -0.487 55.576 56.100 -0.062 0.000 0.881 446 R CB 2.343 32.599 30.300 -0.074 0.000 1.159 446 R HN 0.742 nan 8.270 nan 0.000 0.450 447 G N 1.284 109.815 108.800 -0.449 0.000 2.695 447 G HA2 0.539 4.499 3.960 0.001 0.000 0.290 447 G HA3 0.539 4.499 3.960 0.001 0.000 0.290 447 G C -1.517 173.044 174.900 -0.565 0.000 1.410 447 G CA -0.559 44.248 45.100 -0.488 0.000 0.844 447 G HN 0.364 nan 8.290 nan 0.000 0.478 448 W N -1.038 120.278 121.300 0.028 0.000 2.869 448 W HA 0.752 5.413 4.660 0.001 0.000 0.345 448 W C -0.253 176.267 176.519 0.003 0.000 1.191 448 W CA -0.534 56.814 57.345 0.005 0.000 1.104 448 W CB 2.037 31.488 29.460 -0.015 0.000 1.471 448 W HN 0.659 nan 8.180 nan 0.000 0.612 449 T N -1.367 113.337 114.554 0.250 0.000 2.896 449 T HA 0.460 4.811 4.350 0.001 0.000 0.297 449 T C 0.329 175.085 174.700 0.093 0.000 1.108 449 T CA 0.442 62.612 62.100 0.117 0.000 1.004 449 T CB 1.113 70.018 68.868 0.061 0.000 1.159 449 T HN 0.930 nan 8.240 nan 0.000 0.499 450 G N 1.644 110.467 108.800 0.038 0.000 2.283 450 G HA2 -0.199 3.762 3.960 0.001 0.000 0.280 450 G HA3 -0.199 3.762 3.960 0.001 0.000 0.280 450 G C 0.202 175.140 174.900 0.064 0.000 1.029 450 G CA 0.351 45.472 45.100 0.034 0.000 0.840 450 G HN 1.020 nan 8.290 nan 0.000 0.505 451 V N 0.799 120.771 119.914 0.096 0.000 2.599 451 V HA 0.443 4.564 4.120 0.001 0.000 0.300 451 V C 0.580 176.780 176.094 0.178 0.000 1.034 451 V CA 0.709 63.056 62.300 0.077 0.000 1.115 451 V CB 0.699 32.544 31.823 0.036 0.000 0.934 451 V HN 0.997 nan 8.190 nan 0.000 0.485 452 N N 1.765 120.557 118.700 0.153 0.000 3.020 452 N HA 0.631 5.372 4.740 0.001 0.000 0.248 452 N C 0.172 175.739 175.510 0.094 0.000 1.480 452 N CA -0.219 52.956 53.050 0.208 0.000 0.874 452 N CB 1.400 39.934 38.487 0.079 0.000 1.433 452 N HN 0.937 nan 8.380 nan 0.000 0.530 453 G N -1.388 107.368 108.800 -0.072 0.000 2.176 453 G HA2 -0.237 3.723 3.960 0.001 0.000 0.252 453 G HA3 -0.237 3.723 3.960 0.001 0.000 0.252 453 G C -0.627 174.196 174.900 -0.128 0.000 1.024 453 G CA 0.770 45.793 45.100 -0.128 0.000 0.755 453 G HN 0.972 nan 8.290 nan 0.000 0.507 454 Y N -1.187 119.008 120.300 -0.175 0.000 2.376 454 Y HA 0.868 5.419 4.550 0.001 0.000 0.325 454 Y C 0.180 175.962 175.900 -0.196 0.000 1.199 454 Y CA -1.760 56.199 58.100 -0.235 0.000 1.206 454 Y CB 1.017 39.269 38.460 -0.347 0.000 1.229 454 Y HN 0.141 nan 8.280 nan 0.000 0.480 455 Q N 0.619 120.360 119.800 -0.098 0.000 2.359 455 Q HA 0.409 4.749 4.340 0.001 0.000 0.275 455 Q C -0.461 175.494 176.000 -0.075 0.000 1.082 455 Q CA -0.908 54.825 55.803 -0.117 0.000 0.849 455 Q CB 1.069 29.746 28.738 -0.100 0.000 1.377 455 Q HN 0.753 nan 8.270 nan 0.000 0.452 456 N N 1.942 120.606 118.700 -0.060 0.000 2.708 456 N HA -0.234 4.506 4.740 0.001 0.000 0.249 456 N C -0.968 174.528 175.510 -0.024 0.000 1.097 456 N CA 0.837 53.866 53.050 -0.034 0.000 0.710 456 N CB -1.050 37.419 38.487 -0.029 0.000 1.032 456 N HN 0.798 nan 8.380 nan 0.000 0.551 457 N N -1.025 117.684 118.700 0.016 0.000 2.721 457 N HA -0.200 4.541 4.740 0.001 0.000 0.249 457 N C -0.825 174.630 175.510 -0.091 0.000 1.072 457 N CA 0.959 54.038 53.050 0.049 0.000 0.710 457 N CB -0.644 37.867 38.487 0.041 0.000 0.993 457 N HN 0.448 nan 8.380 nan 0.000 0.547 458 I N 0.083 120.538 120.570 -0.191 0.000 2.502 458 I HA 0.191 4.362 4.170 0.001 0.000 0.276 458 I C -1.510 174.174 176.117 -0.721 0.000 1.057 458 I CA -1.960 59.029 61.300 -0.517 0.000 1.163 458 I CB 1.408 38.986 38.000 -0.704 0.000 1.288 458 I HN -0.281 nan 8.210 nan 0.000 0.479 459 P HA -0.168 nan 4.420 nan 0.000 0.217 459 P C 1.493 178.155 177.300 -1.064 0.000 1.148 459 P CA 1.629 63.828 63.100 -1.502 0.000 0.834 459 P CB 0.067 30.608 31.700 -1.932 0.000 0.783 460 F N -0.687 118.705 119.950 -0.930 0.000 2.583 460 F HA -0.097 4.431 4.527 0.001 0.000 0.297 460 F C 2.027 177.435 175.800 -0.653 0.000 1.131 460 F CA 1.536 59.045 58.000 -0.819 0.000 1.467 460 F CB -1.606 36.880 39.000 -0.858 0.000 1.097 460 F HN 0.039 nan 8.300 nan 0.000 0.586 461 T N -3.352 110.914 114.554 -0.481 0.000 3.081 461 T HA 0.362 4.712 4.350 0.001 0.000 0.250 461 T C 1.292 175.878 174.700 -0.191 0.000 1.100 461 T CA 0.372 62.289 62.100 -0.305 0.000 1.038 461 T CB -0.342 68.348 68.868 -0.298 0.000 0.962 461 T HN 0.161 nan 8.240 nan 0.000 0.516 462 G N 1.368 110.047 108.800 -0.202 0.000 2.782 462 G HA2 0.595 4.555 3.960 0.001 0.000 0.201 462 G HA3 0.595 4.555 3.960 0.001 0.000 0.201 462 G C -0.384 174.409 174.900 -0.178 0.000 1.374 462 G CA -0.099 44.931 45.100 -0.117 0.000 1.039 462 G HN 0.604 nan 8.290 nan 0.000 0.576 463 T N -3.620 110.852 114.554 -0.136 0.000 2.901 463 T HA 0.747 5.097 4.350 0.001 0.000 0.293 463 T C -0.504 174.115 174.700 -0.135 0.000 1.084 463 T CA -0.140 61.866 62.100 -0.156 0.000 1.008 463 T CB 1.807 70.624 68.868 -0.086 0.000 1.170 463 T HN 1.302 nan 8.240 nan 0.000 0.509 464 A N 0.570 123.309 122.820 -0.134 0.000 2.356 464 A HA 0.741 5.061 4.320 0.001 0.000 0.323 464 A C 1.146 178.749 177.584 0.031 0.000 1.119 464 A CA -0.260 51.757 52.037 -0.032 0.000 0.790 464 A CB 1.270 20.276 19.000 0.010 0.000 1.273 464 A HN 1.257 nan 8.150 nan 0.000 0.452 465 T N -1.848 112.741 114.554 0.059 0.000 3.065 465 T HA 0.505 4.856 4.350 0.001 0.000 0.252 465 T C 0.805 175.552 174.700 0.078 0.000 1.099 465 T CA 0.855 62.988 62.100 0.055 0.000 1.063 465 T CB -0.071 68.822 68.868 0.040 0.000 0.948 465 T HN 1.998 nan 8.240 nan 0.000 0.506 466 G N 1.412 110.282 108.800 0.116 0.000 2.340 466 G HA2 0.515 4.475 3.960 0.001 0.000 0.299 466 G HA3 0.515 4.475 3.960 0.001 0.000 0.299 466 G C -3.444 171.548 174.900 0.153 0.000 1.291 466 G CA -0.982 44.191 45.100 0.121 0.000 0.841 466 G HN 0.052 nan 8.290 nan 0.000 0.500 467 P HA 0.435 nan 4.420 nan 0.000 0.281 467 P C 0.075 177.393 177.300 0.030 0.000 1.249 467 P CA -0.251 62.872 63.100 0.039 0.000 0.810 467 P CB 2.091 33.800 31.700 0.014 0.000 1.008 468 V N 2.691 122.600 119.914 -0.008 0.000 2.881 468 V HA 0.090 4.211 4.120 0.001 0.000 0.303 468 V C 0.761 176.854 176.094 -0.002 0.000 1.070 468 V CA -0.507 61.794 62.300 0.002 0.000 1.074 468 V CB 0.287 32.100 31.823 -0.017 0.000 1.012 468 V HN 0.577 nan 8.190 nan 0.000 0.482 469 K N 4.082 124.488 120.400 0.009 0.000 2.436 469 K HA 0.298 4.619 4.320 0.001 0.000 0.282 469 K C 0.196 176.807 176.600 0.019 0.000 1.044 469 K CA 0.466 56.765 56.287 0.020 0.000 1.028 469 K CB 0.063 32.585 32.500 0.036 0.000 0.919 469 K HN 0.912 nan 8.250 nan 0.000 0.474 470 G N 2.300 111.107 108.800 0.011 0.000 2.488 470 G HA2 0.116 4.077 3.960 0.001 0.000 0.318 470 G HA3 0.116 4.077 3.960 0.001 0.000 0.318 470 G C 0.595 175.452 174.900 -0.073 0.000 1.188 470 G CA -0.592 44.509 45.100 0.003 0.000 0.944 470 G HN 0.686 nan 8.290 nan 0.000 0.495 471 T N -0.314 114.150 114.554 -0.151 0.000 2.737 471 T HA -0.094 4.257 4.350 0.001 0.000 0.265 471 T C 1.486 175.737 174.700 -0.748 0.000 1.038 471 T CA 1.681 63.481 62.100 -0.500 0.000 1.144 471 T CB -0.108 68.406 68.868 -0.589 0.000 0.866 471 T HN 0.666 nan 8.240 nan 0.000 0.434 472 W N 1.290 122.604 121.300 0.024 0.000 3.283 472 W HA 0.313 4.973 4.660 0.001 0.000 0.235 472 W C 0.781 177.318 176.519 0.030 0.000 1.123 472 W CA -0.567 56.792 57.345 0.024 0.000 1.534 472 W CB 0.630 30.100 29.460 0.016 0.000 0.839 472 W HN 0.179 nan 8.180 nan 0.000 0.734 473 E N 0.867 121.201 120.200 0.224 0.000 2.343 473 E HA 0.310 4.660 4.350 0.001 0.000 0.270 473 E C -0.452 176.202 176.600 0.090 0.000 0.895 473 E CA -0.950 55.537 56.400 0.145 0.000 0.767 473 E CB 0.909 30.697 29.700 0.147 0.000 1.248 473 E HN -0.243 nan 8.360 nan 0.000 0.440 474 N N 0.607 119.348 118.700 0.068 0.000 2.407 474 N HA 0.129 4.869 4.740 0.001 0.000 0.250 474 N C 0.990 176.516 175.510 0.026 0.000 1.236 474 N CA 1.656 54.731 53.050 0.043 0.000 0.879 474 N CB 0.904 39.418 38.487 0.044 0.000 1.088 474 N HN 0.966 nan 8.380 nan 0.000 0.450 475 G N 0.677 109.471 108.800 -0.011 0.000 2.205 475 G HA2 -0.264 3.696 3.960 0.001 0.000 0.261 475 G HA3 -0.264 3.696 3.960 0.001 0.000 0.261 475 G C 0.013 174.888 174.900 -0.042 0.000 0.980 475 G CA 0.103 45.159 45.100 -0.073 0.000 0.632 475 G HN 0.563 nan 8.290 nan 0.000 0.533 476 I N 0.491 121.080 120.570 0.032 0.000 2.582 476 I HA 0.618 4.789 4.170 0.001 0.000 0.292 476 I C -0.136 176.046 176.117 0.109 0.000 1.066 476 I CA -1.441 59.920 61.300 0.103 0.000 1.053 476 I CB 2.451 40.523 38.000 0.119 0.000 1.241 476 I HN 0.252 nan 8.210 nan 0.000 0.421 477 V N 0.511 120.511 119.914 0.143 0.000 2.686 477 V HA 0.530 4.651 4.120 0.001 0.000 0.306 477 V C -0.765 175.409 176.094 0.134 0.000 1.065 477 V CA -0.836 61.524 62.300 0.101 0.000 0.894 477 V CB 1.762 33.646 31.823 0.102 0.000 1.004 477 V HN 0.521 nan 8.190 nan 0.000 0.424 478 D N 2.258 122.716 120.400 0.097 0.000 2.443 478 D HA 0.069 4.709 4.640 0.001 0.000 0.239 478 D C 0.574 176.900 176.300 0.043 0.000 1.136 478 D CA 0.324 54.399 54.000 0.125 0.000 0.879 478 D CB 0.766 41.634 40.800 0.114 0.000 1.195 478 D HN 0.843 nan 8.370 nan 0.000 0.443 479 Y N 3.205 123.510 120.300 0.009 0.000 2.256 479 Y HA -0.255 4.296 4.550 0.001 0.000 0.288 479 Y C 2.301 178.143 175.900 -0.098 0.000 1.155 479 Y CA 1.815 59.881 58.100 -0.057 0.000 1.203 479 Y CB 0.069 38.537 38.460 0.013 0.000 0.980 479 Y HN 0.401 nan 8.280 nan 0.000 0.530 480 R N 0.361 120.776 120.500 -0.141 0.000 2.103 480 R HA -0.285 4.056 4.340 0.001 0.000 0.242 480 R C 2.446 178.534 176.300 -0.353 0.000 1.142 480 R CA 2.221 58.194 56.100 -0.211 0.000 0.960 480 R CB -0.465 29.810 30.300 -0.042 0.000 0.858 480 R HN 0.610 nan 8.270 nan 0.000 0.439 481 Q N 0.213 119.809 119.800 -0.340 0.000 2.172 481 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 481 Q C 2.083 177.634 176.000 -0.748 0.000 0.964 481 Q CA 1.238 56.749 55.803 -0.487 0.000 0.855 481 Q CB 0.022 28.513 28.738 -0.411 0.000 0.918 481 Q HN 0.478 nan 8.270 nan 0.000 0.444 482 I N 0.662 120.861 120.570 -0.618 0.000 2.179 482 I HA -0.257 3.913 4.170 0.001 0.000 0.242 482 I C 2.409 178.144 176.117 -0.637 0.000 1.088 482 I CA 1.121 62.058 61.300 -0.605 0.000 1.357 482 I CB -0.425 37.155 38.000 -0.699 0.000 1.051 482 I HN 0.274 nan 8.210 nan 0.000 0.409 483 A N 0.458 122.853 122.820 -0.708 0.000 1.969 483 A HA -0.176 4.145 4.320 0.001 0.000 0.218 483 A C 2.414 179.774 177.584 -0.373 0.000 1.169 483 A CA 1.988 53.718 52.037 -0.511 0.000 0.635 483 A CB -0.589 18.055 19.000 -0.593 0.000 0.810 483 A HN 0.531 nan 8.150 nan 0.000 0.445 484 S N -1.787 113.663 115.700 -0.416 0.000 2.503 484 S HA 0.057 4.528 4.470 0.001 0.000 0.217 484 S C 1.491 175.870 174.600 -0.368 0.000 0.999 484 S CA 0.749 58.756 58.200 -0.321 0.000 0.914 484 S CB 0.025 63.064 63.200 -0.268 0.000 0.782 484 S HN 0.666 nan 8.310 nan 0.000 0.520 485 Q N -0.971 118.472 119.800 -0.596 0.000 2.254 485 Q HA 0.345 4.686 4.340 0.001 0.000 0.259 485 Q C -0.288 175.347 176.000 -0.608 0.000 0.815 485 Q CA 0.071 55.491 55.803 -0.638 0.000 0.961 485 Q CB 0.469 28.671 28.738 -0.894 0.000 1.140 485 Q HN 0.574 nan 8.270 nan 0.000 0.502 486 F N -0.117 119.490 119.950 -0.572 0.000 2.750 486 F HA 0.345 4.872 4.527 0.001 0.000 0.297 486 F C 0.699 176.188 175.800 -0.517 0.000 1.138 486 F CA -0.087 57.286 58.000 -1.044 0.000 1.346 486 F CB 0.638 38.759 39.000 -1.465 0.000 0.965 486 F HN 0.011 nan 8.300 nan 0.000 0.514 487 M N 0.012 119.540 119.600 -0.120 0.000 2.589 487 M HA 0.261 4.741 4.480 0.001 0.000 0.344 487 M C 0.165 176.498 176.300 0.056 0.000 1.168 487 M CA 0.165 55.467 55.300 0.004 0.000 0.956 487 M CB -0.588 31.969 32.600 -0.072 0.000 1.370 487 M HN 0.175 nan 8.290 nan 0.000 0.518 488 S N -2.451 113.330 115.700 0.135 0.000 2.800 488 S HA 0.889 5.360 4.470 0.001 0.000 0.293 488 S C 0.428 175.197 174.600 0.281 0.000 1.209 488 S CA -0.162 58.131 58.200 0.156 0.000 0.884 488 S CB 1.165 64.412 63.200 0.078 0.000 1.244 488 S HN 0.520 nan 8.310 nan 0.000 0.540 489 G N 1.244 110.157 108.800 0.190 0.000 2.566 489 G HA2 -0.322 3.639 3.960 0.001 0.000 0.280 489 G HA3 -0.322 3.639 3.960 0.001 0.000 0.280 489 G C 0.423 175.400 174.900 0.129 0.000 1.225 489 G CA 0.675 45.878 45.100 0.172 0.000 0.966 489 G HN 1.095 nan 8.290 nan 0.000 0.560 490 E N -0.054 120.161 120.200 0.024 0.000 2.511 490 E HA 0.028 4.378 4.350 0.001 0.000 0.196 490 E C 0.164 176.691 176.600 -0.123 0.000 1.066 490 E CA -0.322 56.019 56.400 -0.099 0.000 0.871 490 E CB 0.020 29.581 29.700 -0.233 0.000 0.863 490 E HN 0.382 nan 8.360 nan 0.000 0.520 491 W N 2.388 123.704 121.300 0.027 0.000 2.381 491 W HA 0.064 4.724 4.660 0.001 0.000 0.321 491 W C 0.562 177.140 176.519 0.098 0.000 1.407 491 W CA -0.412 56.963 57.345 0.050 0.000 1.274 491 W CB 0.460 29.984 29.460 0.107 0.000 1.310 491 W HN -0.063 nan 8.180 nan 0.000 0.551 492 Q N 2.796 122.783 119.800 0.311 0.000 2.299 492 Q HA 0.191 4.531 4.340 0.001 0.000 0.246 492 Q C -1.210 174.979 176.000 0.315 0.000 0.935 492 Q CA -0.697 55.265 55.803 0.265 0.000 0.887 492 Q CB 1.838 30.711 28.738 0.225 0.000 1.223 492 Q HN 0.561 nan 8.270 nan 0.000 0.439 493 Y N 0.467 120.840 120.300 0.122 0.000 2.391 493 Y HA 0.400 4.950 4.550 0.001 0.000 0.341 493 Y C -1.113 174.765 175.900 -0.037 0.000 0.965 493 Y CA -0.287 57.860 58.100 0.078 0.000 1.067 493 Y CB 1.880 40.417 38.460 0.129 0.000 1.199 493 Y HN 0.458 nan 8.280 nan 0.000 0.450 494 T N 5.882 119.987 114.554 -0.749 0.000 3.032 494 T HA 0.202 4.552 4.350 0.001 0.000 0.312 494 T C -2.132 172.222 174.700 -0.578 0.000 1.078 494 T CA -0.567 61.207 62.100 -0.542 0.000 1.028 494 T CB 0.843 69.322 68.868 -0.648 0.000 1.091 494 T HN 0.501 nan 8.240 nan 0.000 0.457 495 Y N 2.876 123.035 120.300 -0.236 0.000 2.369 495 Y HA 0.370 4.921 4.550 0.001 0.000 0.337 495 Y C -0.094 175.815 175.900 0.014 0.000 0.961 495 Y CA -0.965 57.068 58.100 -0.111 0.000 1.186 495 Y CB 0.782 39.262 38.460 0.033 0.000 1.139 495 Y HN 0.554 nan 8.280 nan 0.000 0.494 496 D N 5.267 125.427 120.400 -0.401 0.000 2.359 496 D HA 0.138 4.778 4.640 0.001 0.000 0.250 496 D C 0.757 176.860 176.300 -0.329 0.000 1.264 496 D CA 0.447 54.344 54.000 -0.171 0.000 0.911 496 D CB 1.249 42.015 40.800 -0.055 0.000 1.056 496 D HN 0.833 nan 8.370 nan 0.000 0.499 497 A N 3.297 126.117 122.820 0.001 0.000 2.067 497 A HA -0.112 4.209 4.320 0.001 0.000 0.219 497 A C 2.062 179.650 177.584 0.006 0.000 1.158 497 A CA 1.203 53.317 52.037 0.129 0.000 0.661 497 A CB -0.108 19.006 19.000 0.190 0.000 0.801 497 A HN 0.567 nan 8.150 nan 0.000 0.452 498 T N 0.138 114.661 114.554 -0.051 0.000 2.668 498 T HA 0.041 4.392 4.350 0.001 0.000 0.262 498 T C 2.207 176.811 174.700 -0.161 0.000 1.045 498 T CA 1.601 63.646 62.100 -0.091 0.000 1.152 498 T CB -0.383 68.421 68.868 -0.106 0.000 0.864 498 T HN 0.542 nan 8.240 nan 0.000 0.419 499 A N 0.346 123.019 122.820 -0.244 0.000 2.119 499 A HA 0.097 4.417 4.320 0.001 0.000 0.216 499 A C 0.500 177.892 177.584 -0.321 0.000 1.152 499 A CA 0.452 52.306 52.037 -0.304 0.000 0.708 499 A CB -0.056 18.719 19.000 -0.375 0.000 0.805 499 A HN 0.471 nan 8.150 nan 0.000 0.460 500 E N -1.777 118.217 120.200 -0.343 0.000 2.346 500 E HA -0.143 4.207 4.350 0.001 0.000 0.200 500 E C -0.294 176.014 176.600 -0.486 0.000 1.331 500 E CA 0.835 57.057 56.400 -0.297 0.000 0.668 500 E CB -2.142 27.504 29.700 -0.090 0.000 1.157 500 E HN 1.244 nan 8.360 nan 0.000 0.393 501 A N 1.118 123.403 122.820 -0.891 0.000 2.540 501 A HA 0.740 5.061 4.320 0.001 0.000 0.297 501 A C -2.814 174.304 177.584 -0.776 0.000 1.056 501 A CA -1.074 50.497 52.037 -0.776 0.000 0.700 501 A CB 2.314 20.778 19.000 -0.894 0.000 1.280 501 A HN 0.011 nan 8.150 nan 0.000 0.398 502 P HA 0.730 nan 4.420 nan 0.000 0.285 502 P C -1.631 175.477 177.300 -0.320 0.000 1.280 502 P CA -0.259 62.554 63.100 -0.479 0.000 0.862 502 P CB 1.243 32.695 31.700 -0.414 0.000 1.153 503 Y N -1.447 118.699 120.300 -0.256 0.000 2.565 503 Y HA 0.570 5.120 4.550 0.001 0.000 0.330 503 Y C -1.505 174.534 175.900 0.232 0.000 1.150 503 Y CA -1.517 56.684 58.100 0.168 0.000 1.055 503 Y CB 0.512 39.214 38.460 0.403 0.000 1.337 503 Y HN 0.321 nan 8.280 nan 0.000 0.457 504 V N 0.682 120.923 119.914 0.543 0.000 2.715 504 V HA 0.828 4.949 4.120 0.001 0.000 0.310 504 V C -1.433 175.045 176.094 0.639 0.000 1.054 504 V CA -0.905 61.684 62.300 0.481 0.000 0.928 504 V CB 1.922 34.008 31.823 0.439 0.000 1.007 504 V HN 0.914 nan 8.190 nan 0.000 0.437 505 F N 2.722 122.895 119.950 0.371 0.000 2.581 505 F HA 0.642 5.170 4.527 0.001 0.000 0.311 505 F C -0.398 175.371 175.800 -0.051 0.000 1.113 505 F CA -0.939 57.157 58.000 0.159 0.000 0.935 505 F CB 2.204 41.220 39.000 0.027 0.000 1.232 505 F HN 0.712 nan 8.300 nan 0.000 0.445 506 K N 8.093 127.806 120.400 -1.145 0.000 2.478 506 K HA 0.406 4.727 4.320 0.001 0.000 0.236 506 K C -2.332 173.521 176.600 -1.244 0.000 1.021 506 K CA -1.903 53.666 56.287 -1.197 0.000 1.010 506 K CB 1.498 33.050 32.500 -1.579 0.000 1.331 506 K HN 0.276 nan 8.250 nan 0.000 0.470 507 P HA -0.296 nan 4.420 nan 0.000 0.216 507 P C 1.208 178.318 177.300 -0.317 0.000 1.157 507 P CA 1.668 64.486 63.100 -0.472 0.000 0.880 507 P CB 0.225 31.884 31.700 -0.068 0.000 0.791 508 S N -0.855 114.657 115.700 -0.313 0.000 2.359 508 S HA -0.219 4.251 4.470 0.001 0.000 0.222 508 S C 1.914 176.384 174.600 -0.218 0.000 1.038 508 S CA 2.549 60.616 58.200 -0.222 0.000 1.051 508 S CB -2.216 60.852 63.200 -0.220 0.000 0.944 508 S HN 0.325 nan 8.310 nan 0.000 0.433 509 T N -2.750 111.619 114.554 -0.308 0.000 3.081 509 T HA 0.507 4.857 4.350 0.001 0.000 0.250 509 T C 1.500 176.064 174.700 -0.227 0.000 1.100 509 T CA 0.526 62.484 62.100 -0.237 0.000 1.038 509 T CB -0.216 68.507 68.868 -0.241 0.000 0.962 509 T HN 1.417 nan 8.240 nan 0.000 0.516 510 G N 1.905 110.492 108.800 -0.355 0.000 2.176 510 G HA2 -0.198 3.763 3.960 0.001 0.000 0.252 510 G HA3 -0.198 3.763 3.960 0.001 0.000 0.252 510 G C -0.486 174.303 174.900 -0.185 0.000 1.024 510 G CA -0.046 44.909 45.100 -0.241 0.000 0.755 510 G HN 0.582 nan 8.290 nan 0.000 0.507 511 D N -0.161 120.009 120.400 -0.382 0.000 2.312 511 D HA 0.465 5.105 4.640 0.001 0.000 0.252 511 D C 0.150 176.487 176.300 0.062 0.000 1.150 511 D CA 0.106 54.027 54.000 -0.132 0.000 0.870 511 D CB 1.888 42.587 40.800 -0.168 0.000 1.153 511 D HN 0.243 nan 8.370 nan 0.000 0.457 512 L N 3.871 125.276 121.223 0.303 0.000 2.385 512 L HA 0.522 4.863 4.340 0.001 0.000 0.273 512 L C -1.330 175.768 176.870 0.379 0.000 0.990 512 L CA -0.504 54.596 54.840 0.435 0.000 0.821 512 L CB 1.510 43.761 42.059 0.319 0.000 1.279 512 L HN 0.278 nan 8.230 nan 0.000 0.412 513 I N 3.510 124.319 120.570 0.397 0.000 2.466 513 I HA 0.387 4.558 4.170 0.001 0.000 0.289 513 I C -0.433 176.035 176.117 0.585 0.000 1.026 513 I CA -0.528 60.974 61.300 0.336 0.000 1.078 513 I CB 2.254 40.343 38.000 0.150 0.000 1.249 513 I HN 0.591 nan 8.210 nan 0.000 0.429 514 T N 6.416 121.281 114.554 0.519 0.000 2.797 514 T HA 0.787 5.138 4.350 0.001 0.000 0.279 514 T C -0.768 174.226 174.700 0.490 0.000 0.991 514 T CA -0.244 62.189 62.100 0.554 0.000 0.979 514 T CB 0.538 69.729 68.868 0.538 0.000 0.943 514 T HN 0.455 nan 8.240 nan 0.000 0.444 515 F N 1.302 121.356 119.950 0.173 0.000 3.090 515 F HA 0.758 5.285 4.527 0.001 0.000 0.324 515 F C -1.374 174.460 175.800 0.057 0.000 1.189 515 F CA -1.404 56.633 58.000 0.061 0.000 0.907 515 F CB 0.371 39.443 39.000 0.120 0.000 1.445 515 F HN 0.274 nan 8.300 nan 0.000 0.500 516 D N 0.615 121.061 120.400 0.076 0.000 2.252 516 D HA 0.440 5.080 4.640 0.001 0.000 0.245 516 D C -1.253 175.101 176.300 0.091 0.000 1.009 516 D CA 0.144 54.119 54.000 -0.041 0.000 0.870 516 D CB 1.946 42.709 40.800 -0.062 0.000 1.251 516 D HN 0.696 nan 8.370 nan 0.000 0.460 517 D N -0.981 119.454 120.400 0.058 0.000 2.714 517 D HA 0.421 5.061 4.640 0.001 0.000 0.278 517 D C 0.696 177.025 176.300 0.049 0.000 1.102 517 D CA -0.677 53.419 54.000 0.160 0.000 1.108 517 D CB 0.325 41.356 40.800 0.386 0.000 1.444 517 D HN 0.218 nan 8.370 nan 0.000 0.568 518 A N -0.082 122.777 122.820 0.065 0.000 1.917 518 A HA -0.232 4.088 4.320 0.001 0.000 0.219 518 A C 2.186 179.777 177.584 0.012 0.000 1.182 518 A CA 2.364 54.413 52.037 0.021 0.000 0.633 518 A CB -0.800 18.226 19.000 0.044 0.000 0.819 518 A HN 0.604 nan 8.150 nan 0.000 0.448 519 R N 0.016 120.520 120.500 0.007 0.000 2.062 519 R HA -0.120 4.221 4.340 0.001 0.000 0.229 519 R C 2.558 178.894 176.300 0.059 0.000 1.128 519 R CA 1.894 57.952 56.100 -0.070 0.000 0.960 519 R CB -0.322 29.749 30.300 -0.382 0.000 0.855 519 R HN 0.666 nan 8.270 nan 0.000 0.432 520 S N -0.260 115.567 115.700 0.212 0.000 2.382 520 S HA -0.104 4.366 4.470 0.001 0.000 0.228 520 S C 2.036 176.678 174.600 0.070 0.000 1.027 520 S CA 1.411 59.727 58.200 0.194 0.000 0.991 520 S CB -0.547 62.710 63.200 0.096 0.000 0.823 520 S HN 0.160 nan 8.310 nan 0.000 0.469 521 V N 2.108 122.041 119.914 0.032 0.000 2.358 521 V HA -0.174 3.947 4.120 0.001 0.000 0.246 521 V C 2.965 179.071 176.094 0.019 0.000 1.047 521 V CA 2.154 64.457 62.300 0.006 0.000 1.035 521 V CB -1.113 30.691 31.823 -0.031 0.000 0.658 521 V HN 0.530 nan 8.190 nan 0.000 0.452 522 Q N 0.868 120.679 119.800 0.018 0.000 2.112 522 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 522 Q C 2.111 178.137 176.000 0.042 0.000 0.987 522 Q CA 2.511 58.325 55.803 0.018 0.000 0.858 522 Q CB -0.630 28.110 28.738 0.004 0.000 0.905 522 Q HN 0.593 nan 8.270 nan 0.000 0.420 523 A N 0.328 123.181 122.820 0.056 0.000 1.902 523 A HA -0.221 4.099 4.320 0.001 0.000 0.217 523 A C 2.002 179.642 177.584 0.093 0.000 1.181 523 A CA 1.818 53.897 52.037 0.070 0.000 0.623 523 A CB -0.478 18.567 19.000 0.074 0.000 0.818 523 A HN 0.424 nan 8.150 nan 0.000 0.443 524 K N -0.901 119.549 120.400 0.083 0.000 2.097 524 K HA -0.061 4.260 4.320 0.001 0.000 0.205 524 K C 2.142 178.840 176.600 0.163 0.000 1.050 524 K CA 0.974 57.341 56.287 0.135 0.000 0.938 524 K CB -0.388 32.165 32.500 0.089 0.000 0.718 524 K HN 0.466 nan 8.250 nan 0.000 0.442 525 G N 1.768 110.623 108.800 0.093 0.000 2.402 525 G HA2 -0.279 3.681 3.960 0.001 0.000 0.216 525 G HA3 -0.279 3.681 3.960 0.001 0.000 0.216 525 G C 1.441 176.383 174.900 0.069 0.000 1.162 525 G CA 0.689 45.828 45.100 0.065 0.000 0.777 525 G HN 0.214 nan 8.290 nan 0.000 0.539 526 K N -0.700 119.749 120.400 0.081 0.000 2.057 526 K HA -0.148 4.172 4.320 0.001 0.000 0.207 526 K C 2.179 178.842 176.600 0.104 0.000 1.049 526 K CA 1.111 57.443 56.287 0.075 0.000 0.931 526 K CB -0.363 32.181 32.500 0.073 0.000 0.714 526 K HN 0.320 nan 8.250 nan 0.000 0.440 527 Y N 1.291 121.599 120.300 0.014 0.000 2.165 527 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 527 Y C 1.803 177.713 175.900 0.016 0.000 1.155 527 Y CA 1.454 59.562 58.100 0.013 0.000 1.164 527 Y CB -0.451 38.017 38.460 0.014 0.000 0.978 527 Y HN -0.153 nan 8.280 nan 0.000 0.513 528 V N 0.532 120.408 119.914 -0.064 0.000 2.343 528 V HA -0.330 3.791 4.120 0.001 0.000 0.247 528 V C 2.531 178.552 176.094 -0.122 0.000 1.051 528 V CA 2.106 64.320 62.300 -0.143 0.000 1.036 528 V CB -0.795 31.024 31.823 -0.007 0.000 0.654 528 V HN 0.452 nan 8.190 nan 0.000 0.451 529 L N -0.341 120.850 121.223 -0.053 0.000 2.056 529 L HA -0.152 4.188 4.340 0.001 0.000 0.207 529 L C 2.384 179.223 176.870 -0.053 0.000 1.078 529 L CA 1.490 56.309 54.840 -0.036 0.000 0.749 529 L CB -0.768 41.288 42.059 -0.005 0.000 0.901 529 L HN 0.352 nan 8.230 nan 0.000 0.433 530 D N 0.124 120.489 120.400 -0.060 0.000 2.117 530 D HA -0.129 4.511 4.640 0.001 0.000 0.198 530 D C 1.908 178.150 176.300 -0.097 0.000 0.982 530 D CA 1.111 55.079 54.000 -0.053 0.000 0.828 530 D CB -0.025 40.768 40.800 -0.012 0.000 0.967 530 D HN 0.154 nan 8.370 nan 0.000 0.464 531 K N 0.536 120.815 120.400 -0.201 0.000 2.404 531 K HA 0.077 4.397 4.320 0.001 0.000 0.194 531 K C 0.111 176.618 176.600 -0.155 0.000 1.023 531 K CA -0.008 56.149 56.287 -0.217 0.000 1.094 531 K CB 0.348 32.596 32.500 -0.418 0.000 0.841 531 K HN 0.239 nan 8.250 nan 0.000 0.523 532 Q N 0.869 120.596 119.800 -0.121 0.000 2.460 532 Q HA -0.189 4.152 4.340 0.001 0.000 0.311 532 Q C -0.498 175.457 176.000 -0.075 0.000 1.396 532 Q CA 0.317 56.075 55.803 -0.074 0.000 0.838 532 Q CB -1.892 26.817 28.738 -0.049 0.000 1.140 532 Q HN 0.295 nan 8.270 nan 0.000 0.415 533 L N -1.771 119.392 121.223 -0.100 0.000 2.488 533 L HA 0.316 4.656 4.340 0.001 0.000 0.249 533 L C 1.886 178.743 176.870 -0.022 0.000 1.151 533 L CA 0.342 55.139 54.840 -0.073 0.000 0.806 533 L CB 0.106 42.104 42.059 -0.101 0.000 1.261 533 L HN 0.335 nan 8.230 nan 0.000 0.484 534 G N -1.027 107.775 108.800 0.003 0.000 2.408 534 G HA2 0.313 4.273 3.960 0.001 0.000 0.217 534 G HA3 0.313 4.273 3.960 0.001 0.000 0.217 534 G C 0.552 175.467 174.900 0.024 0.000 1.150 534 G CA 0.837 45.954 45.100 0.027 0.000 0.776 534 G HN 0.931 nan 8.290 nan 0.000 0.542 535 G N -1.477 107.350 108.800 0.045 0.000 2.441 535 G HA2 0.365 4.325 3.960 0.001 0.000 0.222 535 G HA3 0.365 4.325 3.960 0.001 0.000 0.222 535 G C -1.818 173.161 174.900 0.131 0.000 1.254 535 G CA -0.689 44.451 45.100 0.066 0.000 0.959 535 G HN 0.459 nan 8.290 nan 0.000 0.474 536 L N 0.331 121.650 121.223 0.160 0.000 2.445 536 L HA 0.808 5.148 4.340 0.001 0.000 0.262 536 L C -0.816 176.237 176.870 0.304 0.000 0.974 536 L CA -0.913 54.050 54.840 0.205 0.000 0.822 536 L CB 2.301 44.420 42.059 0.100 0.000 1.339 536 L HN 0.831 nan 8.230 nan 0.000 0.409 537 F N 0.319 120.376 119.950 0.180 0.000 2.629 537 F HA 0.912 5.440 4.527 0.001 0.000 0.316 537 F C -0.633 175.293 175.800 0.209 0.000 1.081 537 F CA -0.802 57.298 58.000 0.167 0.000 0.954 537 F CB 1.911 40.996 39.000 0.142 0.000 1.337 537 F HN 0.412 nan 8.300 nan 0.000 0.474 538 S N 1.293 117.046 115.700 0.087 0.000 2.569 538 S HA 0.481 4.952 4.470 0.001 0.000 0.280 538 S C -1.895 172.832 174.600 0.213 0.000 1.111 538 S CA -0.697 57.491 58.200 -0.020 0.000 0.887 538 S CB 1.873 65.070 63.200 -0.005 0.000 1.095 538 S HN 1.158 nan 8.310 nan 0.000 0.476 539 W N 2.027 123.268 121.300 -0.098 0.000 2.391 539 W HA 0.493 5.154 4.660 0.001 0.000 0.311 539 W C -0.598 175.872 176.519 -0.081 0.000 1.087 539 W CA -0.276 57.008 57.345 -0.101 0.000 1.209 539 W CB 0.747 29.966 29.460 -0.401 0.000 1.273 539 W HN 1.106 nan 8.180 nan 0.000 0.482 540 E N 5.118 124.590 120.200 -1.214 0.000 2.663 540 E HA -0.281 4.070 4.350 0.001 0.000 0.190 540 E C 0.192 176.451 176.600 -0.568 0.000 1.367 540 E CA 0.462 56.195 56.400 -1.112 0.000 0.699 540 E CB -1.364 27.674 29.700 -1.103 0.000 1.132 540 E HN 0.564 nan 8.360 nan 0.000 0.402 541 I N 2.150 122.454 120.570 -0.444 0.000 2.423 541 I HA -0.236 3.935 4.170 0.001 0.000 0.254 541 I C 1.785 177.510 176.117 -0.654 0.000 1.151 541 I CA 2.419 63.524 61.300 -0.325 0.000 1.421 541 I CB -0.158 37.782 38.000 -0.100 0.000 1.079 541 I HN 0.633 nan 8.210 nan 0.000 0.431 542 D N 0.361 120.143 120.400 -1.030 0.000 2.269 542 D HA -0.131 4.510 4.640 0.001 0.000 0.208 542 D C 1.795 177.691 176.300 -0.673 0.000 0.963 542 D CA 1.060 54.093 54.000 -1.612 0.000 0.864 542 D CB -0.186 39.886 40.800 -1.214 0.000 0.936 542 D HN 0.456 nan 8.370 nan 0.000 0.505 543 A N 0.431 123.024 122.820 -0.379 0.000 2.208 543 A HA 0.009 4.330 4.320 0.001 0.000 0.209 543 A C 0.755 178.353 177.584 0.022 0.000 1.161 543 A CA 0.165 52.145 52.037 -0.094 0.000 0.782 543 A CB -0.155 18.839 19.000 -0.009 0.000 0.816 543 A HN 0.171 nan 8.150 nan 0.000 0.477 544 D N -0.363 120.024 120.400 -0.023 0.000 2.283 544 D HA 0.240 4.881 4.640 0.001 0.000 0.248 544 D C 0.731 177.115 176.300 0.140 0.000 1.072 544 D CA -0.146 53.918 54.000 0.106 0.000 0.929 544 D CB 0.705 41.519 40.800 0.023 0.000 1.182 544 D HN 0.219 nan 8.370 nan 0.000 0.433 545 N N 1.865 120.702 118.700 0.228 0.000 2.236 545 N HA 0.186 4.927 4.740 0.001 0.000 0.196 545 N C 1.147 176.752 175.510 0.157 0.000 1.114 545 N CA 0.512 53.664 53.050 0.170 0.000 0.859 545 N CB 0.936 39.507 38.487 0.139 0.000 0.982 545 N HN 0.573 nan 8.380 nan 0.000 0.493 546 G N 0.112 109.002 108.800 0.150 0.000 2.352 546 G HA2 -0.246 3.715 3.960 0.001 0.000 0.204 546 G HA3 -0.246 3.715 3.960 0.001 0.000 0.204 546 G C 0.591 175.554 174.900 0.105 0.000 1.004 546 G CA 0.238 45.412 45.100 0.122 0.000 0.648 546 G HN 0.266 nan 8.290 nan 0.000 0.491 547 D N 0.912 121.388 120.400 0.127 0.000 2.123 547 D HA -0.059 4.582 4.640 0.001 0.000 0.196 547 D C 2.572 178.847 176.300 -0.041 0.000 0.992 547 D CA 1.197 55.246 54.000 0.083 0.000 0.833 547 D CB 0.008 40.918 40.800 0.183 0.000 0.954 547 D HN 0.393 nan 8.370 nan 0.000 0.455 548 I N 0.550 121.029 120.570 -0.151 0.000 2.193 548 I HA -0.168 4.002 4.170 0.001 0.000 0.240 548 I C 2.457 178.519 176.117 -0.091 0.000 1.084 548 I CA 0.553 61.740 61.300 -0.188 0.000 1.365 548 I CB -1.112 36.733 38.000 -0.260 0.000 1.064 548 I HN 0.040 nan 8.210 nan 0.000 0.410 549 L N 1.569 122.764 121.223 -0.046 0.000 2.083 549 L HA -0.146 4.195 4.340 0.001 0.000 0.209 549 L C 2.104 178.934 176.870 -0.066 0.000 1.083 549 L CA 1.722 56.543 54.840 -0.032 0.000 0.752 549 L CB -0.981 41.088 42.059 0.017 0.000 0.899 549 L HN 0.196 nan 8.230 nan 0.000 0.433 550 N N -0.709 117.994 118.700 0.005 0.000 2.084 550 N HA -0.149 4.591 4.740 0.001 0.000 0.190 550 N C 1.905 177.321 175.510 -0.157 0.000 1.030 550 N CA 1.637 54.708 53.050 0.036 0.000 0.849 550 N CB -0.465 38.166 38.487 0.239 0.000 1.012 550 N HN 0.329 nan 8.380 nan 0.000 0.423 551 S N 0.925 116.580 115.700 -0.074 0.000 2.382 551 S HA -0.010 4.460 4.470 0.001 0.000 0.228 551 S C 2.024 176.553 174.600 -0.118 0.000 1.027 551 S CA 0.845 58.999 58.200 -0.076 0.000 0.991 551 S CB -0.121 63.053 63.200 -0.044 0.000 0.823 551 S HN 0.298 nan 8.310 nan 0.000 0.469 552 M N 1.623 121.150 119.600 -0.122 0.000 2.080 552 M HA -0.150 4.331 4.480 0.001 0.000 0.260 552 M C 2.090 178.294 176.300 -0.160 0.000 1.068 552 M CA 1.300 56.540 55.300 -0.100 0.000 1.109 552 M CB -0.578 31.981 32.600 -0.068 0.000 1.342 552 M HN 0.283 nan 8.290 nan 0.000 0.405 553 N N 0.433 118.944 118.700 -0.315 0.000 2.058 553 N HA -0.116 4.624 4.740 0.001 0.000 0.191 553 N C 1.776 177.031 175.510 -0.425 0.000 1.037 553 N CA 1.810 54.576 53.050 -0.473 0.000 0.848 553 N CB -0.242 37.634 38.487 -1.018 0.000 1.021 553 N HN 0.329 nan 8.380 nan 0.000 0.422 554 A N 1.202 123.733 122.820 -0.480 0.000 1.877 554 A HA -0.158 4.162 4.320 0.001 0.000 0.216 554 A C 2.412 179.962 177.584 -0.057 0.000 1.186 554 A CA 2.247 54.195 52.037 -0.150 0.000 0.620 554 A CB -0.870 18.123 19.000 -0.010 0.000 0.822 554 A HN 0.491 nan 8.150 nan 0.000 0.443 555 S N -0.301 115.361 115.700 -0.064 0.000 2.442 555 S HA -0.013 4.457 4.470 0.001 0.000 0.236 555 S C 1.549 176.144 174.600 -0.010 0.000 1.007 555 S CA 1.374 59.563 58.200 -0.020 0.000 0.965 555 S CB -0.517 62.676 63.200 -0.011 0.000 0.773 555 S HN 0.439 nan 8.310 nan 0.000 0.504 556 L N 0.608 121.814 121.223 -0.028 0.000 2.592 556 L HA 0.341 4.682 4.340 0.001 0.000 0.227 556 L C 1.843 178.715 176.870 0.002 0.000 1.127 556 L CA 0.397 55.231 54.840 -0.009 0.000 0.884 556 L CB -0.351 41.700 42.059 -0.012 0.000 1.065 556 L HN 0.615 nan 8.230 nan 0.000 0.457 557 G N -0.368 108.435 108.800 0.004 0.000 2.159 557 G HA2 -0.233 3.727 3.960 0.001 0.000 0.227 557 G HA3 -0.233 3.727 3.960 0.001 0.000 0.227 557 G C 0.043 174.971 174.900 0.047 0.000 0.986 557 G CA -0.441 44.676 45.100 0.027 0.000 0.651 557 G HN 0.303 nan 8.290 nan 0.000 0.523 558 N N 1.302 120.025 118.700 0.039 0.000 2.492 558 N HA 0.399 5.140 4.740 0.001 0.000 0.262 558 N C 0.494 176.117 175.510 0.188 0.000 1.202 558 N CA 0.465 53.571 53.050 0.093 0.000 0.926 558 N CB 1.071 39.599 38.487 0.068 0.000 1.078 558 N HN 0.301 nan 8.380 nan 0.000 0.454 559 S N 0.743 116.540 115.700 0.162 0.000 2.565 559 S HA 0.343 4.814 4.470 0.001 0.000 0.276 559 S C 0.403 175.099 174.600 0.160 0.000 1.326 559 S CA -0.879 57.406 58.200 0.142 0.000 1.045 559 S CB 0.835 64.084 63.200 0.081 0.000 0.918 559 S HN 0.629 nan 8.310 nan 0.000 0.505 560 A N 2.712 125.571 122.820 0.066 0.000 2.488 560 A HA 0.538 4.859 4.320 0.001 0.000 0.249 560 A C 0.971 178.496 177.584 -0.100 0.000 1.083 560 A CA -0.085 51.867 52.037 -0.141 0.000 0.768 560 A CB -0.351 18.549 19.000 -0.166 0.000 1.017 560 A HN 0.896 nan 8.150 nan 0.000 0.496 561 G N 0.782 109.496 108.800 -0.142 0.000 2.535 561 G HA2 0.455 4.416 3.960 0.001 0.000 0.282 561 G HA3 0.455 4.416 3.960 0.001 0.000 0.282 561 G C 0.297 175.154 174.900 -0.071 0.000 1.350 561 G CA -0.274 44.787 45.100 -0.066 0.000 1.039 561 G HN 0.781 nan 8.290 nan 0.000 0.509 562 V N 0.000 119.890 119.914 -0.040 0.000 2.409 562 V HA 0.000 4.121 4.120 0.001 0.000 0.244 562 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 562 V CB 0.000 31.811 31.823 -0.019 0.000 1.184 562 V HN 0.000 nan 8.190 nan 0.000 0.556