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 1oi8_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVcESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVcK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQE 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.008 175.900 0.180 0.000 1.272 26 Y CA 0.000 58.142 58.100 0.070 0.000 1.940 26 Y CB 0.000 38.440 38.460 -0.033 0.000 1.050 27 E N 2.015 122.517 120.200 0.504 0.000 2.259 27 E HA 0.216 4.565 4.350 -0.000 0.000 0.281 27 E C -0.606 176.222 176.600 0.381 0.000 1.037 27 E CA -0.676 55.914 56.400 0.316 0.000 0.854 27 E CB 1.029 30.888 29.700 0.265 0.000 1.051 27 E HN 0.663 nan 8.360 nan 0.000 0.409 28 Q N 4.090 123.996 119.800 0.176 0.000 2.337 28 Q HA -0.046 4.293 4.340 -0.000 0.000 0.270 28 Q C -0.440 175.669 176.000 0.182 0.000 1.002 28 Q CA 0.685 56.598 55.803 0.183 0.000 0.888 28 Q CB 0.609 29.384 28.738 0.062 0.000 1.222 28 Q HN 0.647 nan 8.270 nan 0.000 0.400 29 D N 0.525 121.041 120.400 0.193 0.000 3.006 29 D HA -0.241 4.399 4.640 -0.000 0.000 0.208 29 D C -0.600 175.763 176.300 0.105 0.000 1.116 29 D CA 1.714 55.786 54.000 0.120 0.000 0.998 29 D CB -0.819 40.023 40.800 0.070 0.000 1.124 29 D HN 0.733 nan 8.370 nan 0.000 0.413 30 K N 0.882 121.371 120.400 0.148 0.000 2.298 30 K HA 0.297 4.617 4.320 -0.000 0.000 0.280 30 K C -0.559 176.065 176.600 0.039 0.000 1.032 30 K CA 0.104 56.406 56.287 0.025 0.000 0.958 30 K CB 0.765 33.220 32.500 -0.076 0.000 0.978 30 K HN -0.184 nan 8.250 nan 0.000 0.472 31 T N 4.418 118.943 114.554 -0.048 0.000 2.744 31 T HA 0.248 4.598 4.350 -0.000 0.000 0.291 31 T C -1.153 173.526 174.700 -0.035 0.000 0.957 31 T CA -0.235 61.891 62.100 0.043 0.000 1.002 31 T CB 0.041 68.926 68.868 0.029 0.000 0.919 31 T HN 0.336 nan 8.240 nan 0.000 0.468 32 Y N 2.013 122.404 120.300 0.152 0.000 2.341 32 Y HA 0.392 4.942 4.550 -0.000 0.000 0.337 32 Y C 0.843 176.811 175.900 0.114 0.000 1.014 32 Y CA -1.073 57.099 58.100 0.120 0.000 1.111 32 Y CB 1.151 39.672 38.460 0.102 0.000 1.194 32 Y HN 0.343 nan 8.280 nan 0.000 0.462 33 K N 4.827 125.352 120.400 0.208 0.000 2.262 33 K HA 0.539 4.859 4.320 -0.000 0.000 0.282 33 K C -1.129 175.556 176.600 0.142 0.000 1.066 33 K CA -0.150 56.227 56.287 0.150 0.000 0.901 33 K CB 0.709 33.261 32.500 0.086 0.000 1.089 33 K HN 0.564 nan 8.250 nan 0.000 0.476 34 I N 1.922 122.584 120.570 0.154 0.000 2.478 34 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 34 I C -0.340 175.871 176.117 0.157 0.000 1.042 34 I CA -0.585 60.784 61.300 0.115 0.000 1.067 34 I CB 2.309 40.351 38.000 0.071 0.000 1.233 34 I HN 0.390 nan 8.210 nan 0.000 0.431 35 T N 5.477 120.086 114.554 0.092 0.000 2.771 35 T HA 0.494 4.843 4.350 -0.000 0.000 0.281 35 T C -0.276 174.467 174.700 0.072 0.000 0.982 35 T CA -0.442 61.707 62.100 0.082 0.000 0.978 35 T CB 1.582 70.460 68.868 0.017 0.000 0.930 35 T HN 0.178 nan 8.240 nan 0.000 0.447 36 V N 5.622 125.617 119.914 0.135 0.000 2.370 36 V HA 0.447 4.567 4.120 -0.000 0.000 0.283 36 V C -0.079 176.083 176.094 0.113 0.000 1.023 36 V CA -0.770 61.598 62.300 0.114 0.000 0.857 36 V CB 1.044 32.978 31.823 0.185 0.000 0.985 36 V HN 0.711 nan 8.190 nan 0.000 0.443 37 L N 5.801 127.048 121.223 0.041 0.000 2.322 37 L HA 0.767 5.107 4.340 -0.000 0.000 0.279 37 L C -0.378 176.541 176.870 0.081 0.000 1.036 37 L CA -0.580 54.264 54.840 0.006 0.000 0.807 37 L CB 1.647 43.639 42.059 -0.112 0.000 1.226 37 L HN 0.971 nan 8.230 nan 0.000 0.433 38 H N -0.527 118.531 119.070 -0.019 0.000 3.079 38 H HA 0.727 5.283 4.556 -0.000 0.000 0.356 38 H C -1.050 174.325 175.328 0.079 0.000 1.221 38 H CA -0.800 55.271 56.048 0.039 0.000 1.185 38 H CB 1.811 31.617 29.762 0.072 0.000 1.882 38 H HN 0.560 nan 8.280 nan 0.000 0.543 39 T N 0.529 115.175 114.554 0.155 0.000 2.812 39 T HA 0.625 4.975 4.350 -0.000 0.000 0.294 39 T C -1.093 173.719 174.700 0.185 0.000 1.159 39 T CA -0.846 61.331 62.100 0.129 0.000 1.008 39 T CB 2.125 71.088 68.868 0.158 0.000 1.289 39 T HN 1.154 nan 8.240 nan 0.000 0.514 40 N N -0.981 117.806 118.700 0.145 0.000 2.961 40 N HA 0.208 4.947 4.740 -0.000 0.000 0.245 40 N C -1.586 173.993 175.510 0.116 0.000 1.404 40 N CA -0.608 52.522 53.050 0.133 0.000 0.880 40 N CB 0.894 39.460 38.487 0.131 0.000 1.461 40 N HN 0.880 nan 8.380 nan 0.000 0.510 41 D N 0.000 120.461 120.400 0.101 0.000 2.689 41 D HA -0.226 4.414 4.640 -0.000 0.000 0.237 41 D C 0.850 177.222 176.300 0.119 0.000 1.148 41 D CA 1.053 55.073 54.000 0.034 0.000 0.656 41 D CB -0.971 39.931 40.800 0.170 0.000 1.050 41 D HN 0.699 nan 8.370 nan 0.000 0.426 42 H N 0.638 119.695 119.070 -0.023 0.000 2.319 42 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 42 H C 0.861 176.328 175.328 0.231 0.000 1.092 42 H CA 2.688 58.771 56.048 0.058 0.000 1.302 42 H CB 0.097 29.830 29.762 -0.048 0.000 1.373 42 H HN 0.411 nan 8.280 nan 0.000 0.497 43 H N -1.030 118.088 119.070 0.080 0.000 2.692 43 H HA -0.143 4.413 4.556 -0.000 0.000 0.316 43 H C 1.414 176.686 175.328 -0.093 0.000 1.176 43 H CA 1.244 57.318 56.048 0.044 0.000 1.142 43 H CB -1.671 28.173 29.762 0.138 0.000 1.475 43 H HN 0.837 nan 8.280 nan 0.000 0.423 44 G N -0.071 108.665 108.800 -0.108 0.000 2.162 44 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.260 44 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.260 44 G C 0.201 174.891 174.900 -0.351 0.000 0.976 44 G CA 0.542 45.563 45.100 -0.132 0.000 0.655 44 G HN 0.694 nan 8.290 nan 0.000 0.533 45 H N 0.362 119.016 119.070 -0.693 0.000 2.794 45 H HA 0.376 4.932 4.556 -0.000 0.000 0.256 45 H C 1.689 176.983 175.328 -0.058 0.000 1.637 45 H CA 0.098 55.888 56.048 -0.430 0.000 1.222 45 H CB -0.889 28.612 29.762 -0.436 0.000 1.545 45 H HN 0.578 nan 8.280 nan 0.000 0.518 46 F N -2.215 117.842 119.950 0.179 0.000 2.234 46 F HA -0.021 4.506 4.527 -0.001 0.000 0.299 46 F C 0.842 176.852 175.800 0.351 0.000 1.087 46 F CA -0.091 58.101 58.000 0.320 0.000 1.340 46 F CB -0.004 39.124 39.000 0.213 0.000 1.031 46 F HN 0.229 nan 8.300 nan 0.000 0.500 47 W N 4.640 125.622 121.300 -0.531 0.000 2.578 47 W HA 0.356 5.016 4.660 -0.001 0.000 0.353 47 W C 0.089 176.538 176.519 -0.117 0.000 1.088 47 W CA -1.522 55.635 57.345 -0.314 0.000 1.235 47 W CB 1.195 30.298 29.460 -0.596 0.000 1.362 47 W HN -0.089 nan 8.180 nan 0.000 0.592 48 R N 2.825 123.058 120.500 -0.444 0.000 2.784 48 R HA 0.013 4.352 4.340 -0.000 0.000 0.266 48 R C 0.310 176.504 176.300 -0.177 0.000 1.044 48 R CA -0.169 55.743 56.100 -0.312 0.000 1.151 48 R CB 0.102 30.136 30.300 -0.443 0.000 1.037 48 R HN 0.462 nan 8.270 nan 0.000 0.478 49 N N 0.485 119.008 118.700 -0.296 0.000 2.366 49 N HA -0.105 4.634 4.740 -0.000 0.000 0.277 49 N C 0.481 175.859 175.510 -0.219 0.000 1.275 49 N CA -0.034 52.886 53.050 -0.217 0.000 0.964 49 N CB 0.205 38.525 38.487 -0.278 0.000 1.167 49 N HN 0.822 nan 8.380 nan 0.000 0.568 50 E N -1.635 118.379 120.200 -0.310 0.000 2.409 50 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 50 E C -0.008 176.348 176.600 -0.406 0.000 1.024 50 E CA 1.092 57.264 56.400 -0.380 0.000 0.861 50 E CB -0.537 28.841 29.700 -0.536 0.000 0.788 50 E HN 0.644 nan 8.360 nan 0.000 0.521 51 Y N -0.042 120.207 120.300 -0.084 0.000 2.555 51 Y HA 0.402 4.952 4.550 -0.001 0.000 0.259 51 Y C 1.522 177.351 175.900 -0.118 0.000 1.179 51 Y CA -0.371 57.679 58.100 -0.083 0.000 1.230 51 Y CB 0.931 39.349 38.460 -0.070 0.000 1.146 51 Y HN 0.175 nan 8.280 nan 0.000 0.526 52 G N 0.318 109.077 108.800 -0.068 0.000 2.148 52 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 52 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 52 G C 0.034 174.830 174.900 -0.175 0.000 0.981 52 G CA 0.043 45.072 45.100 -0.118 0.000 0.670 52 G HN 0.421 nan 8.290 nan 0.000 0.528 53 E N -0.150 119.884 120.200 -0.277 0.000 2.343 53 E HA 0.508 4.858 4.350 -0.000 0.000 0.269 53 E C 1.101 177.340 176.600 -0.601 0.000 1.047 53 E CA -0.360 55.805 56.400 -0.393 0.000 0.874 53 E CB 0.594 30.008 29.700 -0.476 0.000 1.033 53 E HN 0.957 nan 8.360 nan 0.000 0.409 54 Y N 0.390 120.688 120.300 -0.005 0.000 2.892 54 Y HA -0.361 4.189 4.550 -0.000 0.000 0.465 54 Y C 0.585 176.470 175.900 -0.024 0.000 1.195 54 Y CA 0.423 58.522 58.100 -0.001 0.000 2.512 54 Y CB -2.010 36.469 38.460 0.032 0.000 1.230 54 Y HN 1.034 nan 8.280 nan 0.000 0.633 55 G N -0.884 108.146 108.800 0.383 0.000 2.733 55 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.686 55 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.686 55 G C -0.113 174.884 174.900 0.162 0.000 1.373 55 G CA -0.265 44.952 45.100 0.194 0.000 0.838 55 G HN 1.274 nan 8.290 nan 0.000 0.588 56 L N 0.862 122.195 121.223 0.184 0.000 2.313 56 L HA 0.106 4.445 4.340 -0.000 0.000 0.214 56 L C 3.190 180.114 176.870 0.090 0.000 1.119 56 L CA 1.660 56.595 54.840 0.159 0.000 0.809 56 L CB -0.641 41.536 42.059 0.196 0.000 0.933 56 L HN 0.886 nan 8.230 nan 0.000 0.449 57 A N 0.330 123.173 122.820 0.038 0.000 1.898 57 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 57 A C 2.531 180.108 177.584 -0.012 0.000 1.181 57 A CA 1.633 53.668 52.037 -0.003 0.000 0.620 57 A CB -0.556 18.395 19.000 -0.081 0.000 0.819 57 A HN 0.362 nan 8.150 nan 0.000 0.442 58 A N -0.988 121.817 122.820 -0.025 0.000 1.930 58 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 58 A C 2.169 179.761 177.584 0.013 0.000 1.175 58 A CA 1.688 53.718 52.037 -0.012 0.000 0.627 58 A CB -0.575 18.415 19.000 -0.016 0.000 0.815 58 A HN 0.641 nan 8.150 nan 0.000 0.443 59 Q N -0.300 119.524 119.800 0.039 0.000 2.096 59 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 59 Q C 2.092 178.101 176.000 0.016 0.000 0.982 59 Q CA 2.236 58.063 55.803 0.041 0.000 0.850 59 Q CB -0.122 28.664 28.738 0.079 0.000 0.901 59 Q HN 0.609 nan 8.270 nan 0.000 0.422 60 K N -0.453 119.961 120.400 0.024 0.000 2.026 60 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 60 K C 1.887 178.485 176.600 -0.003 0.000 1.048 60 K CA 2.128 58.422 56.287 0.013 0.000 0.929 60 K CB -0.494 32.024 32.500 0.031 0.000 0.713 60 K HN 0.126 nan 8.250 nan 0.000 0.439 61 T N 1.538 116.091 114.554 -0.002 0.000 2.684 61 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 61 T C 1.614 176.305 174.700 -0.015 0.000 1.036 61 T CA 1.498 63.593 62.100 -0.008 0.000 1.148 61 T CB -0.352 68.510 68.868 -0.009 0.000 0.863 61 T HN 0.227 nan 8.240 nan 0.000 0.436 62 L N 1.293 122.507 121.223 -0.016 0.000 1.994 62 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 62 L C 2.468 179.315 176.870 -0.039 0.000 1.071 62 L CA 1.565 56.391 54.840 -0.024 0.000 0.745 62 L CB -0.817 41.230 42.059 -0.020 0.000 0.892 62 L HN 0.076 nan 8.230 nan 0.000 0.431 63 V N 0.112 119.996 119.914 -0.049 0.000 2.287 63 V HA -0.307 3.812 4.120 -0.000 0.000 0.248 63 V C 2.331 178.389 176.094 -0.060 0.000 1.053 63 V CA 1.998 64.254 62.300 -0.074 0.000 1.027 63 V CB -0.910 30.846 31.823 -0.113 0.000 0.646 63 V HN 0.469 nan 8.190 nan 0.000 0.447 64 D N 0.657 121.032 120.400 -0.041 0.000 2.123 64 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 64 D C 2.210 178.494 176.300 -0.026 0.000 0.992 64 D CA 1.687 55.670 54.000 -0.029 0.000 0.833 64 D CB -0.686 40.105 40.800 -0.015 0.000 0.954 64 D HN 0.471 nan 8.370 nan 0.000 0.455 65 G N 0.767 109.551 108.800 -0.026 0.000 2.446 65 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 65 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 65 G C 1.809 176.691 174.900 -0.030 0.000 1.168 65 G CA 0.478 45.564 45.100 -0.024 0.000 0.771 65 G HN 0.288 nan 8.290 nan 0.000 0.551 66 I N 0.132 120.678 120.570 -0.040 0.000 2.286 66 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 66 I C 3.027 179.120 176.117 -0.040 0.000 1.115 66 I CA 0.950 62.222 61.300 -0.046 0.000 1.392 66 I CB -0.173 37.790 38.000 -0.062 0.000 1.065 66 I HN 0.083 nan 8.210 nan 0.000 0.418 67 R N 0.621 121.097 120.500 -0.041 0.000 2.092 67 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 67 R C 2.331 178.619 176.300 -0.020 0.000 1.119 67 R CA 1.296 57.376 56.100 -0.033 0.000 0.970 67 R CB -0.269 30.010 30.300 -0.034 0.000 0.864 67 R HN 0.305 nan 8.270 nan 0.000 0.440 68 K N 1.245 121.634 120.400 -0.018 0.000 2.002 68 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 68 K C 2.052 178.645 176.600 -0.011 0.000 1.048 68 K CA 1.710 57.990 56.287 -0.012 0.000 0.930 68 K CB -0.010 32.484 32.500 -0.010 0.000 0.714 68 K HN 0.109 nan 8.250 nan 0.000 0.438 69 E N 0.065 120.256 120.200 -0.016 0.000 2.058 69 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 69 E C 1.840 178.432 176.600 -0.013 0.000 0.997 69 E CA 1.675 58.065 56.400 -0.016 0.000 0.801 69 E CB 0.073 29.759 29.700 -0.023 0.000 0.746 69 E HN 0.176 nan 8.360 nan 0.000 0.450 70 V N 1.075 120.980 119.914 -0.015 0.000 2.358 70 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 70 V C 2.462 178.556 176.094 0.001 0.000 1.047 70 V CA 1.701 63.997 62.300 -0.008 0.000 1.035 70 V CB -0.728 31.089 31.823 -0.010 0.000 0.658 70 V HN 0.460 nan 8.190 nan 0.000 0.452 71 A N 0.111 122.931 122.820 -0.000 0.000 1.940 71 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 71 A C 2.403 179.990 177.584 0.006 0.000 1.176 71 A CA 2.075 54.115 52.037 0.006 0.000 0.631 71 A CB -0.738 18.264 19.000 0.005 0.000 0.814 71 A HN 0.578 nan 8.150 nan 0.000 0.446 72 A N -0.613 122.208 122.820 0.001 0.000 1.972 72 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 72 A C 1.868 179.453 177.584 0.001 0.000 1.169 72 A CA 1.965 54.002 52.037 0.001 0.000 0.635 72 A CB -0.307 18.692 19.000 -0.002 0.000 0.810 72 A HN 0.452 nan 8.150 nan 0.000 0.446 73 E N -0.930 119.270 120.200 0.001 0.000 2.489 73 E HA 0.255 4.605 4.350 -0.000 0.000 0.193 73 E C 1.072 177.676 176.600 0.007 0.000 1.057 73 E CA 0.622 57.024 56.400 0.002 0.000 0.866 73 E CB -0.499 29.202 29.700 0.001 0.000 0.916 73 E HN 0.740 nan 8.360 nan 0.000 0.500 74 G N -0.942 107.864 108.800 0.010 0.000 2.157 74 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 74 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 74 G C 0.566 175.485 174.900 0.033 0.000 0.979 74 G CA 0.161 45.271 45.100 0.016 0.000 0.650 74 G HN 0.617 nan 8.290 nan 0.000 0.529 75 G N -0.813 108.007 108.800 0.033 0.000 2.537 75 G HA2 0.689 4.649 3.960 -0.000 0.000 0.297 75 G HA3 0.689 4.649 3.960 -0.000 0.000 0.297 75 G C -0.093 174.832 174.900 0.042 0.000 1.310 75 G CA 0.504 45.633 45.100 0.049 0.000 1.027 75 G HN 0.851 nan 8.290 nan 0.000 0.505 76 S N -2.114 113.611 115.700 0.041 0.000 2.599 76 S HA 0.669 5.139 4.470 -0.000 0.000 0.294 76 S C -0.865 173.736 174.600 0.002 0.000 1.094 76 S CA -0.448 57.763 58.200 0.020 0.000 0.931 76 S CB 2.107 65.317 63.200 0.018 0.000 1.093 76 S HN 0.463 nan 8.310 nan 0.000 0.488 77 V N 2.537 122.437 119.914 -0.024 0.000 2.656 77 V HA 0.567 4.687 4.120 -0.000 0.000 0.307 77 V C -0.903 175.134 176.094 -0.094 0.000 1.051 77 V CA -0.622 61.648 62.300 -0.050 0.000 0.893 77 V CB 1.803 33.588 31.823 -0.063 0.000 0.999 77 V HN 0.704 nan 8.190 nan 0.000 0.426 78 L N 5.061 126.214 121.223 -0.116 0.000 2.385 78 L HA 0.652 4.991 4.340 -0.000 0.000 0.273 78 L C -1.511 175.247 176.870 -0.186 0.000 0.990 78 L CA -0.748 53.970 54.840 -0.203 0.000 0.821 78 L CB 1.886 43.818 42.059 -0.211 0.000 1.279 78 L HN 0.592 nan 8.230 nan 0.000 0.412 79 L N 5.759 126.830 121.223 -0.254 0.000 2.356 79 L HA 0.655 4.995 4.340 -0.000 0.000 0.277 79 L C -1.540 175.198 176.870 -0.220 0.000 0.996 79 L CA -0.092 54.578 54.840 -0.282 0.000 0.822 79 L CB 1.640 43.414 42.059 -0.474 0.000 1.256 79 L HN 0.464 nan 8.230 nan 0.000 0.413 80 L N 3.395 124.583 121.223 -0.059 0.000 2.371 80 L HA 0.696 5.036 4.340 -0.000 0.000 0.262 80 L C -0.368 176.649 176.870 0.246 0.000 1.006 80 L CA -0.691 54.206 54.840 0.095 0.000 0.818 80 L CB 2.223 44.326 42.059 0.073 0.000 1.354 80 L HN 0.665 nan 8.230 nan 0.000 0.415 81 S N -0.213 115.626 115.700 0.232 0.000 2.503 81 S HA 0.575 5.045 4.470 -0.000 0.000 0.301 81 S C 0.568 175.267 174.600 0.164 0.000 1.087 81 S CA -0.201 58.109 58.200 0.184 0.000 1.042 81 S CB 1.733 64.927 63.200 -0.010 0.000 1.043 81 S HN 0.798 nan 8.310 nan 0.000 0.489 82 G N 1.823 110.727 108.800 0.173 0.000 3.181 82 G HA2 0.500 4.460 3.960 -0.000 0.000 0.219 82 G HA3 0.500 4.460 3.960 -0.000 0.000 0.219 82 G C 0.894 175.969 174.900 0.291 0.000 1.182 82 G CA 0.184 45.397 45.100 0.188 0.000 0.791 82 G HN 1.555 nan 8.290 nan 0.000 0.537 83 G N 0.143 109.079 108.800 0.227 0.000 2.698 83 G HA2 0.051 4.011 3.960 -0.000 0.000 0.225 83 G HA3 0.051 4.011 3.960 -0.000 0.000 0.225 83 G C -0.239 174.780 174.900 0.199 0.000 1.345 83 G CA -0.114 45.119 45.100 0.222 0.000 0.871 83 G HN 0.706 nan 8.290 nan 0.000 0.540 84 D N -1.077 119.368 120.400 0.075 0.000 2.848 84 D HA -0.130 4.510 4.640 -0.000 0.000 0.245 84 D C 1.523 177.688 176.300 -0.224 0.000 1.122 84 D CA 1.009 54.969 54.000 -0.067 0.000 0.769 84 D CB -0.750 40.043 40.800 -0.012 0.000 1.025 84 D HN 0.603 nan 8.370 nan 0.000 0.423 85 I N -0.652 119.895 120.570 -0.039 0.000 2.400 85 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 85 I C 1.396 177.553 176.117 0.067 0.000 1.109 85 I CA 0.726 62.011 61.300 -0.024 0.000 1.425 85 I CB -0.530 37.325 38.000 -0.241 0.000 1.094 85 I HN 0.206 nan 8.210 nan 0.000 0.425 86 N N 2.266 121.058 118.700 0.154 0.000 2.492 86 N HA 0.059 4.799 4.740 -0.000 0.000 0.260 86 N C -0.328 175.355 175.510 0.288 0.000 1.215 86 N CA 0.841 54.028 53.050 0.228 0.000 0.923 86 N CB 0.581 39.230 38.487 0.270 0.000 1.092 86 N HN 0.180 nan 8.380 nan 0.000 0.448 87 T N -0.071 114.626 114.554 0.240 0.000 0.575 87 T HA 0.045 4.395 4.350 -0.000 0.000 0.770 87 T C 0.741 175.526 174.700 0.142 0.000 0.992 87 T CA 0.603 62.827 62.100 0.207 0.000 4.059 87 T CB -1.149 67.884 68.868 0.275 0.000 2.293 87 T HN 0.973 nan 8.240 nan 0.000 0.396 88 G N 0.828 109.638 108.800 0.018 0.000 2.977 88 G HA2 0.259 4.219 3.960 -0.000 0.000 0.211 88 G HA3 0.259 4.219 3.960 -0.000 0.000 0.211 88 G C -0.362 174.375 174.900 -0.273 0.000 0.994 88 G CA 0.152 45.203 45.100 -0.082 0.000 0.795 88 G HN 1.477 nan 8.290 nan 0.000 0.518 89 V N 0.930 120.681 119.914 -0.272 0.000 2.567 89 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 89 V C 1.282 177.283 176.094 -0.155 0.000 1.047 89 V CA -0.302 61.794 62.300 -0.340 0.000 0.880 89 V CB 0.981 32.468 31.823 -0.560 0.000 1.009 89 V HN 0.257 nan 8.190 nan 0.000 0.429 90 c N 2.544 121.069 118.600 -0.124 0.000 2.413 90 c HA -0.123 4.447 4.570 -0.000 0.000 0.277 90 c C 2.477 176.556 174.090 -0.018 0.000 1.265 90 c CA 1.496 57.793 56.329 -0.053 0.000 1.752 90 c CB -0.650 41.833 42.510 -0.045 0.000 1.998 90 c HN 1.057 nan 8.230 nan 0.000 0.489 91 E N 0.108 120.297 120.200 -0.019 0.000 2.118 91 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 91 E C 2.361 179.072 176.600 0.185 0.000 0.992 91 E CA 1.565 58.007 56.400 0.069 0.000 0.804 91 E CB -0.300 29.445 29.700 0.074 0.000 0.741 91 E HN 0.603 nan 8.360 nan 0.000 0.458 92 S N 0.122 115.958 115.700 0.228 0.000 2.345 92 S HA -0.148 4.322 4.470 -0.000 0.000 0.219 92 S C 1.348 176.004 174.600 0.092 0.000 1.031 92 S CA 1.266 59.594 58.200 0.213 0.000 0.984 92 S CB -0.271 63.065 63.200 0.226 0.000 0.874 92 S HN 0.142 nan 8.310 nan 0.000 0.451 93 D N 1.779 122.221 120.400 0.071 0.000 2.123 93 D HA -0.100 4.539 4.640 -0.000 0.000 0.196 93 D C 1.964 178.303 176.300 0.066 0.000 0.992 93 D CA 0.742 54.788 54.000 0.077 0.000 0.833 93 D CB -0.665 40.172 40.800 0.062 0.000 0.954 93 D HN 0.309 nan 8.370 nan 0.000 0.455 94 L N 0.274 121.519 121.223 0.036 0.000 2.079 94 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 94 L C 1.176 178.065 176.870 0.032 0.000 1.081 94 L CA 1.617 56.465 54.840 0.012 0.000 0.752 94 L CB -0.160 41.885 42.059 -0.022 0.000 0.896 94 L HN 0.099 nan 8.230 nan 0.000 0.433 95 Q N -0.617 119.206 119.800 0.038 0.000 2.222 95 Q HA 0.028 4.368 4.340 -0.000 0.000 0.206 95 Q C -0.568 175.468 176.000 0.060 0.000 0.877 95 Q CA -0.221 55.601 55.803 0.032 0.000 0.958 95 Q CB 0.456 29.186 28.738 -0.012 0.000 1.075 95 Q HN 0.326 nan 8.270 nan 0.000 0.483 96 D N 0.373 120.847 120.400 0.122 0.000 2.701 96 D HA -0.262 4.378 4.640 -0.000 0.000 0.235 96 D C 0.352 176.817 176.300 0.275 0.000 1.155 96 D CA 1.040 55.168 54.000 0.213 0.000 0.649 96 D CB -1.206 39.760 40.800 0.278 0.000 1.050 96 D HN 0.545 nan 8.370 nan 0.000 0.425 97 A N -0.715 122.189 122.820 0.141 0.000 2.816 97 A HA -0.398 3.922 4.320 -0.000 0.000 0.270 97 A C 1.572 179.169 177.584 0.022 0.000 1.413 97 A CA 2.461 54.573 52.037 0.125 0.000 0.866 97 A CB -1.986 17.184 19.000 0.283 0.000 1.032 97 A HN 0.620 nan 8.150 nan 0.000 0.642 98 E N 0.285 120.287 120.200 -0.331 0.000 2.049 98 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 98 E C -0.233 175.805 176.600 -0.936 0.000 1.007 98 E CA 1.596 57.415 56.400 -0.969 0.000 0.809 98 E CB -0.500 28.348 29.700 -1.420 0.000 0.749 98 E HN 0.612 nan 8.360 nan 0.000 0.450 99 P HA -0.162 nan 4.420 nan 0.000 0.216 99 P C 0.278 177.214 177.300 -0.607 0.000 1.150 99 P CA 1.893 64.203 63.100 -1.316 0.000 0.843 99 P CB -0.096 30.472 31.700 -1.888 0.000 0.787 100 D N -0.763 119.414 120.400 -0.371 0.000 2.103 100 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 100 D C 1.792 177.939 176.300 -0.255 0.000 0.978 100 D CA 0.997 54.904 54.000 -0.156 0.000 0.829 100 D CB -0.859 39.923 40.800 -0.031 0.000 0.981 100 D HN 0.090 nan 8.370 nan 0.000 0.464 101 F N 0.974 120.869 119.950 -0.093 0.000 2.146 101 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 101 F C 2.390 178.195 175.800 0.009 0.000 1.096 101 F CA 0.969 58.977 58.000 0.012 0.000 1.275 101 F CB -0.151 38.884 39.000 0.059 0.000 1.008 101 F HN -0.181 nan 8.300 nan 0.000 0.480 102 R N -0.222 120.282 120.500 0.008 0.000 2.092 102 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 102 R C 2.573 178.895 176.300 0.038 0.000 1.119 102 R CA 1.107 57.200 56.100 -0.011 0.000 0.970 102 R CB -1.149 29.047 30.300 -0.174 0.000 0.864 102 R HN 0.394 nan 8.270 nan 0.000 0.440 103 G N 1.017 109.809 108.800 -0.013 0.000 2.440 103 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 103 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 103 G C 1.434 176.388 174.900 0.091 0.000 1.154 103 G CA 0.653 45.782 45.100 0.048 0.000 0.767 103 G HN 0.177 nan 8.290 nan 0.000 0.552 104 M N 0.682 120.321 119.600 0.064 0.000 2.213 104 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 104 M C 2.297 178.785 176.300 0.314 0.000 1.062 104 M CA 0.860 56.234 55.300 0.122 0.000 1.105 104 M CB -0.299 32.186 32.600 -0.191 0.000 1.385 104 M HN 0.117 nan 8.290 nan 0.000 0.417 105 N N 0.753 119.664 118.700 0.352 0.000 2.120 105 N HA -0.136 4.603 4.740 -0.000 0.000 0.188 105 N C 1.585 177.222 175.510 0.211 0.000 1.024 105 N CA 1.179 54.435 53.050 0.343 0.000 0.852 105 N CB -0.440 38.207 38.487 0.266 0.000 1.003 105 N HN 0.225 nan 8.380 nan 0.000 0.424 106 L N 0.821 122.140 121.223 0.160 0.000 2.109 106 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 106 L C 1.891 178.815 176.870 0.089 0.000 1.086 106 L CA 1.044 55.951 54.840 0.112 0.000 0.760 106 L CB -0.484 41.633 42.059 0.097 0.000 0.910 106 L HN -0.110 nan 8.230 nan 0.000 0.437 107 V N 0.450 120.427 119.914 0.105 0.000 2.490 107 V HA 0.044 4.164 4.120 -0.000 0.000 0.250 107 V C 1.634 177.705 176.094 -0.037 0.000 1.061 107 V CA 1.227 63.552 62.300 0.043 0.000 1.064 107 V CB -1.307 30.567 31.823 0.086 0.000 0.670 107 V HN 0.729 nan 8.190 nan 0.000 0.461 108 G N -1.410 107.407 108.800 0.027 0.000 2.288 108 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.205 108 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.205 108 G C -0.268 174.558 174.900 -0.124 0.000 1.071 108 G CA -0.459 44.637 45.100 -0.007 0.000 0.788 108 G HN 0.371 nan 8.290 nan 0.000 0.491 109 Y N 0.761 120.918 120.300 -0.239 0.000 2.712 109 Y HA 0.159 4.708 4.550 -0.001 0.000 0.333 109 Y C 1.650 177.359 175.900 -0.319 0.000 1.225 109 Y CA 0.897 58.725 58.100 -0.454 0.000 1.499 109 Y CB 0.617 38.481 38.460 -0.994 0.000 1.288 109 Y HN 0.237 nan 8.280 nan 0.000 0.575 110 D N 1.355 121.674 120.400 -0.135 0.000 2.301 110 D HA 0.280 4.920 4.640 -0.000 0.000 0.206 110 D C 0.269 176.697 176.300 0.213 0.000 0.979 110 D CA 0.851 54.827 54.000 -0.040 0.000 0.874 110 D CB 0.474 40.986 40.800 -0.480 0.000 0.968 110 D HN 0.506 nan 8.370 nan 0.000 0.510 111 A N 0.051 122.960 122.820 0.148 0.000 2.566 111 A HA 0.631 4.951 4.320 -0.000 0.000 0.290 111 A C -1.702 176.030 177.584 0.246 0.000 1.071 111 A CA -0.677 51.565 52.037 0.342 0.000 0.658 111 A CB 1.637 20.873 19.000 0.393 0.000 1.285 111 A HN 0.032 nan 8.150 nan 0.000 0.427 112 M N 0.971 120.766 119.600 0.325 0.000 2.421 112 M HA 0.715 5.195 4.480 -0.000 0.000 0.287 112 M C -0.781 175.645 176.300 0.210 0.000 1.183 112 M CA -0.548 54.900 55.300 0.246 0.000 0.916 112 M CB 1.932 34.719 32.600 0.311 0.000 1.701 112 M HN 1.721 nan 8.290 nan 0.000 0.470 113 A N 4.540 127.467 122.820 0.179 0.000 2.401 113 A HA 0.538 4.858 4.320 -0.000 0.000 0.259 113 A C -0.298 177.362 177.584 0.126 0.000 1.103 113 A CA -0.504 51.625 52.037 0.154 0.000 0.789 113 A CB 0.001 19.108 19.000 0.179 0.000 1.035 113 A HN 0.874 nan 8.150 nan 0.000 0.491 114 I N 2.735 123.332 120.570 0.044 0.000 2.517 114 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 114 I C 1.280 177.413 176.117 0.027 0.000 1.106 114 I CA 0.314 61.599 61.300 -0.025 0.000 1.402 114 I CB 0.614 38.476 38.000 -0.229 0.000 1.399 114 I HN 0.744 nan 8.210 nan 0.000 0.535 115 G N 4.589 113.350 108.800 -0.066 0.000 2.522 115 G HA2 0.091 4.050 3.960 -0.000 0.000 0.304 115 G HA3 0.091 4.050 3.960 -0.000 0.000 0.304 115 G C 0.917 175.763 174.900 -0.091 0.000 1.210 115 G CA -0.605 44.230 45.100 -0.442 0.000 0.960 115 G HN 0.740 nan 8.290 nan 0.000 0.497 116 N N -0.727 117.876 118.700 -0.163 0.000 2.244 116 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 116 N C 1.200 176.850 175.510 0.233 0.000 1.016 116 N CA 1.186 54.317 53.050 0.136 0.000 0.866 116 N CB -0.390 38.130 38.487 0.054 0.000 0.980 116 N HN 0.626 nan 8.380 nan 0.000 0.430 117 H N 0.197 119.398 119.070 0.219 0.000 2.559 117 H HA 0.087 4.642 4.556 -0.000 0.000 0.273 117 H C 0.782 176.227 175.328 0.195 0.000 1.000 117 H CA 0.549 56.755 56.048 0.263 0.000 1.195 117 H CB 0.395 30.352 29.762 0.325 0.000 1.368 117 H HN 0.306 nan 8.280 nan 0.000 0.592 118 E N 0.112 120.424 120.200 0.185 0.000 2.418 118 E HA -0.058 4.291 4.350 -0.000 0.000 0.197 118 E C 0.576 177.023 176.600 -0.255 0.000 1.026 118 E CA 0.394 56.770 56.400 -0.041 0.000 0.862 118 E CB -0.159 29.427 29.700 -0.190 0.000 0.799 118 E HN 0.371 nan 8.360 nan 0.000 0.518 119 F N -0.161 119.899 119.950 0.184 0.000 2.639 119 F HA 0.150 4.677 4.527 -0.000 0.000 0.300 119 F C 1.087 177.035 175.800 0.247 0.000 1.109 119 F CA -0.154 57.981 58.000 0.225 0.000 1.335 119 F CB 0.458 39.735 39.000 0.462 0.000 1.014 119 F HN -0.117 nan 8.300 nan 0.000 0.537 120 D N -0.308 120.285 120.400 0.322 0.000 2.269 120 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 120 D C 0.542 177.032 176.300 0.316 0.000 0.963 120 D CA 0.883 55.082 54.000 0.331 0.000 0.864 120 D CB 0.056 41.052 40.800 0.325 0.000 0.936 120 D HN 0.181 nan 8.370 nan 0.000 0.505 121 N N 0.285 119.073 118.700 0.147 0.000 2.432 121 N HA 0.320 5.060 4.740 -0.000 0.000 0.292 121 N C -2.601 172.704 175.510 -0.342 0.000 1.193 121 N CA -1.393 51.664 53.050 0.013 0.000 0.878 121 N CB 1.558 40.048 38.487 0.006 0.000 1.252 121 N HN -0.200 nan 8.380 nan 0.000 0.520 122 P HA -0.014 nan 4.420 nan 0.000 0.269 122 P C 1.182 178.255 177.300 -0.378 0.000 1.217 122 P CA -0.334 62.399 63.100 -0.612 0.000 0.783 122 P CB 0.690 32.227 31.700 -0.273 0.000 0.898 123 L N 2.516 123.546 121.223 -0.320 0.000 2.079 123 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 123 L C 1.919 178.688 176.870 -0.169 0.000 1.081 123 L CA 2.242 56.976 54.840 -0.178 0.000 0.752 123 L CB -1.528 40.480 42.059 -0.086 0.000 0.896 123 L HN 0.321 nan 8.230 nan 0.000 0.433 124 T N -1.240 113.214 114.554 -0.168 0.000 2.788 124 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 124 T C 1.964 176.546 174.700 -0.198 0.000 1.044 124 T CA 1.573 63.575 62.100 -0.163 0.000 1.139 124 T CB -0.331 68.458 68.868 -0.131 0.000 0.867 124 T HN 0.222 nan 8.240 nan 0.000 0.454 125 V N 1.410 121.211 119.914 -0.189 0.000 2.343 125 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 125 V C 2.374 178.316 176.094 -0.253 0.000 1.051 125 V CA 1.200 63.380 62.300 -0.200 0.000 1.036 125 V CB -0.626 31.126 31.823 -0.119 0.000 0.654 125 V HN 0.334 nan 8.190 nan 0.000 0.451 126 L N 0.158 121.241 121.223 -0.233 0.000 2.083 126 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 126 L C 2.578 179.290 176.870 -0.263 0.000 1.083 126 L CA 1.862 56.550 54.840 -0.253 0.000 0.752 126 L CB -0.738 41.168 42.059 -0.256 0.000 0.899 126 L HN 0.161 nan 8.230 nan 0.000 0.433 127 R N -0.590 119.773 120.500 -0.229 0.000 2.096 127 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 127 R C 2.207 178.291 176.300 -0.359 0.000 1.127 127 R CA 1.403 57.361 56.100 -0.236 0.000 0.968 127 R CB -0.818 29.361 30.300 -0.201 0.000 0.861 127 R HN 0.478 nan 8.270 nan 0.000 0.440 128 Q N 1.112 120.632 119.800 -0.465 0.000 2.230 128 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 128 Q C 1.799 177.209 176.000 -0.983 0.000 0.963 128 Q CA 1.373 56.733 55.803 -0.739 0.000 0.866 128 Q CB 0.069 28.305 28.738 -0.837 0.000 0.931 128 Q HN 0.385 nan 8.270 nan 0.000 0.452 129 Q N -0.162 119.189 119.800 -0.748 0.000 2.167 129 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 129 Q C 1.807 177.373 176.000 -0.723 0.000 0.970 129 Q CA 1.452 56.798 55.803 -0.761 0.000 0.855 129 Q CB 0.015 28.233 28.738 -0.867 0.000 0.911 129 Q HN 0.537 nan 8.270 nan 0.000 0.438 130 E N 0.459 120.349 120.200 -0.516 0.000 2.153 130 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 130 E C 1.916 178.321 176.600 -0.325 0.000 0.988 130 E CA 0.529 56.704 56.400 -0.375 0.000 0.811 130 E CB 0.096 29.658 29.700 -0.229 0.000 0.746 130 E HN 0.059 nan 8.360 nan 0.000 0.466 131 K N 0.672 120.856 120.400 -0.360 0.000 1.985 131 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 131 K C 1.808 178.309 176.600 -0.166 0.000 1.047 131 K CA 1.194 57.306 56.287 -0.292 0.000 0.932 131 K CB -0.350 31.909 32.500 -0.402 0.000 0.716 131 K HN 0.218 nan 8.250 nan 0.000 0.439 132 W N 1.131 122.298 121.300 -0.221 0.000 2.338 132 W HA 0.012 4.672 4.660 -0.000 0.000 0.304 132 W C 0.954 177.364 176.519 -0.181 0.000 1.212 132 W CA 0.559 57.803 57.345 -0.167 0.000 1.264 132 W CB -1.219 28.146 29.460 -0.158 0.000 1.142 132 W HN 0.030 nan 8.180 nan 0.000 0.512 133 A N 1.069 123.811 122.820 -0.129 0.000 2.488 133 A HA 0.115 4.435 4.320 -0.000 0.000 0.249 133 A C 1.008 178.391 177.584 -0.336 0.000 1.083 133 A CA 0.016 51.799 52.037 -0.423 0.000 0.768 133 A CB 0.186 18.596 19.000 -0.983 0.000 1.017 133 A HN 0.265 nan 8.150 nan 0.000 0.496 134 K N 1.118 121.423 120.400 -0.157 0.000 2.410 134 K HA 0.208 4.528 4.320 -0.000 0.000 0.200 134 K C -0.834 175.862 176.600 0.161 0.000 1.023 134 K CA 0.167 56.483 56.287 0.048 0.000 1.149 134 K CB -0.074 32.526 32.500 0.166 0.000 0.859 134 K HN 0.720 nan 8.250 nan 0.000 0.514 135 F N -0.641 119.401 119.950 0.153 0.000 2.593 135 F HA 0.604 5.130 4.527 -0.001 0.000 0.320 135 F C -2.857 173.032 175.800 0.149 0.000 1.060 135 F CA -3.706 54.401 58.000 0.179 0.000 0.940 135 F CB 0.336 39.468 39.000 0.220 0.000 1.268 135 F HN -0.243 nan 8.300 nan 0.000 0.475 136 P HA 0.278 nan 4.420 nan 0.000 0.280 136 P C -1.037 176.408 177.300 0.242 0.000 1.244 136 P CA -0.204 63.003 63.100 0.178 0.000 0.784 136 P CB 1.564 33.366 31.700 0.169 0.000 0.913 137 L N 4.146 125.428 121.223 0.098 0.000 2.261 137 L HA 0.387 4.726 4.340 -0.000 0.000 0.289 137 L C 0.336 177.226 176.870 0.033 0.000 1.059 137 L CA -0.478 54.409 54.840 0.079 0.000 0.816 137 L CB 0.129 42.162 42.059 -0.043 0.000 1.191 137 L HN 0.228 nan 8.230 nan 0.000 0.431 138 L N 3.003 124.270 121.223 0.073 0.000 2.317 138 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 138 L C 0.131 177.021 176.870 0.034 0.000 1.024 138 L CA -0.215 54.670 54.840 0.076 0.000 0.810 138 L CB 1.884 44.031 42.059 0.146 0.000 1.240 138 L HN 0.548 nan 8.230 nan 0.000 0.427 139 S N 0.852 116.581 115.700 0.047 0.000 2.652 139 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 139 S C 0.276 174.922 174.600 0.077 0.000 1.172 139 S CA -0.009 58.230 58.200 0.066 0.000 1.009 139 S CB 1.687 64.897 63.200 0.016 0.000 1.094 139 S HN 0.707 nan 8.310 nan 0.000 0.471 140 A N 3.639 126.504 122.820 0.074 0.000 2.021 140 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 140 A C 1.575 179.146 177.584 -0.021 0.000 1.163 140 A CA 1.074 53.133 52.037 0.037 0.000 0.676 140 A CB -0.318 18.758 19.000 0.126 0.000 0.818 140 A HN 0.889 nan 8.150 nan 0.000 0.453 141 N N -0.106 118.627 118.700 0.056 0.000 2.235 141 N HA 0.148 4.888 4.740 -0.000 0.000 0.209 141 N C -0.253 175.309 175.510 0.087 0.000 1.122 141 N CA -0.028 53.115 53.050 0.155 0.000 0.845 141 N CB 0.152 38.755 38.487 0.194 0.000 1.004 141 N HN 0.415 nan 8.380 nan 0.000 0.499 142 I N 1.208 121.693 120.570 -0.143 0.000 2.362 142 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 142 I C -1.063 174.849 176.117 -0.342 0.000 0.994 142 I CA -0.833 60.302 61.300 -0.275 0.000 1.158 142 I CB 0.785 38.684 38.000 -0.169 0.000 1.315 142 I HN -0.146 nan 8.210 nan 0.000 0.451 143 Y N 3.396 123.578 120.300 -0.197 0.000 2.462 143 Y HA 0.342 4.892 4.550 -0.000 0.000 0.346 143 Y C 0.093 175.920 175.900 -0.122 0.000 0.976 143 Y CA -0.843 57.182 58.100 -0.125 0.000 1.044 143 Y CB 1.921 40.329 38.460 -0.086 0.000 1.230 143 Y HN 0.453 nan 8.280 nan 0.000 0.455 144 Q N 3.000 122.821 119.800 0.035 0.000 2.296 144 Q HA 0.147 4.486 4.340 -0.000 0.000 0.263 144 Q C 0.737 176.766 176.000 0.048 0.000 1.026 144 Q CA 0.130 55.943 55.803 0.016 0.000 0.912 144 Q CB 0.743 29.464 28.738 -0.027 0.000 1.198 144 Q HN 0.644 nan 8.270 nan 0.000 0.407 145 K N 1.353 121.777 120.400 0.040 0.000 2.063 145 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 145 K C 1.789 178.398 176.600 0.017 0.000 1.048 145 K CA 1.770 58.074 56.287 0.028 0.000 0.928 145 K CB 0.045 32.563 32.500 0.029 0.000 0.713 145 K HN 0.765 nan 8.250 nan 0.000 0.442 146 S N 0.148 115.856 115.700 0.014 0.000 2.402 146 S HA -0.109 4.360 4.470 -0.000 0.000 0.229 146 S C 2.012 176.614 174.600 0.003 0.000 1.021 146 S CA 1.600 59.804 58.200 0.006 0.000 0.974 146 S CB -0.400 62.802 63.200 0.003 0.000 0.800 146 S HN 0.415 nan 8.310 nan 0.000 0.484 147 T N -3.378 111.180 114.554 0.006 0.000 3.023 147 T HA 0.493 4.842 4.350 -0.000 0.000 0.253 147 T C 1.491 176.203 174.700 0.021 0.000 1.038 147 T CA 0.516 62.619 62.100 0.006 0.000 0.962 147 T CB -0.192 68.674 68.868 -0.005 0.000 1.018 147 T HN 1.144 nan 8.240 nan 0.000 0.521 148 G N 2.021 110.844 108.800 0.038 0.000 2.283 148 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.280 148 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.280 148 G C -0.218 174.783 174.900 0.169 0.000 1.029 148 G CA 0.627 45.764 45.100 0.062 0.000 0.840 148 G HN 1.028 nan 8.290 nan 0.000 0.505 149 E N -0.321 119.970 120.200 0.151 0.000 2.207 149 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 149 E C 0.569 177.166 176.600 -0.005 0.000 0.927 149 E CA -1.306 55.153 56.400 0.100 0.000 0.799 149 E CB 0.998 30.698 29.700 0.000 0.000 1.172 149 E HN 0.279 nan 8.360 nan 0.000 0.404 150 R N 3.022 123.397 120.500 -0.208 0.000 2.570 150 R HA 0.081 4.421 4.340 -0.000 0.000 0.277 150 R C 0.883 176.973 176.300 -0.350 0.000 1.039 150 R CA 0.114 55.926 56.100 -0.481 0.000 1.065 150 R CB 0.520 30.546 30.300 -0.457 0.000 0.964 150 R HN 0.683 nan 8.270 nan 0.000 0.428 151 L N 2.417 123.384 121.223 -0.426 0.000 2.341 151 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 151 L C -0.042 176.265 176.870 -0.937 0.000 1.115 151 L CA 0.836 55.272 54.840 -0.674 0.000 0.820 151 L CB 0.124 41.689 42.059 -0.823 0.000 0.944 151 L HN 0.429 nan 8.230 nan 0.000 0.452 152 F N -1.548 118.303 119.950 -0.165 0.000 2.640 152 F HA 0.371 4.898 4.527 -0.000 0.000 0.324 152 F C 0.197 175.890 175.800 -0.178 0.000 1.077 152 F CA -1.364 56.552 58.000 -0.140 0.000 0.965 152 F CB 0.867 39.816 39.000 -0.085 0.000 1.351 152 F HN -0.387 nan 8.300 nan 0.000 0.487 153 K N 2.831 123.252 120.400 0.034 0.000 2.412 153 K HA 0.123 4.442 4.320 -0.000 0.000 0.281 153 K C -1.824 174.714 176.600 -0.104 0.000 1.027 153 K CA -1.155 55.058 56.287 -0.123 0.000 0.989 153 K CB 0.729 33.161 32.500 -0.114 0.000 0.935 153 K HN 0.235 nan 8.250 nan 0.000 0.475 154 P HA -0.064 nan 4.420 nan 0.000 0.221 154 P C -0.496 176.854 177.300 0.084 0.000 1.155 154 P CA 0.965 64.014 63.100 -0.085 0.000 0.812 154 P CB 0.235 31.872 31.700 -0.104 0.000 0.801 155 W N -1.212 120.114 121.300 0.043 0.000 3.074 155 W HA 0.746 5.405 4.660 -0.000 0.000 0.332 155 W C -2.019 174.511 176.519 0.019 0.000 1.253 155 W CA -1.481 55.893 57.345 0.048 0.000 1.180 155 W CB 0.980 30.462 29.460 0.037 0.000 1.445 155 W HN -0.157 nan 8.180 nan 0.000 0.573 156 A N 1.728 124.823 122.820 0.457 0.000 2.454 156 A HA 0.876 5.196 4.320 -0.000 0.000 0.302 156 A C -1.687 175.902 177.584 0.007 0.000 1.079 156 A CA -1.001 51.153 52.037 0.195 0.000 0.731 156 A CB 1.967 20.975 19.000 0.014 0.000 1.299 156 A HN 0.629 nan 8.150 nan 0.000 0.413 157 L N 0.758 121.810 121.223 -0.284 0.000 2.346 157 L HA 0.721 5.061 4.340 -0.000 0.000 0.274 157 L C -1.412 174.998 176.870 -0.767 0.000 1.007 157 L CA -0.357 54.291 54.840 -0.320 0.000 0.818 157 L CB 1.653 43.657 42.059 -0.091 0.000 1.284 157 L HN 0.678 nan 8.230 nan 0.000 0.424 158 F N 1.137 121.111 119.950 0.041 0.000 2.565 158 F HA 0.481 5.008 4.527 -0.000 0.000 0.313 158 F C -0.111 175.681 175.800 -0.014 0.000 1.091 158 F CA -0.971 57.042 58.000 0.023 0.000 0.915 158 F CB 1.887 40.897 39.000 0.017 0.000 1.208 158 F HN 0.178 nan 8.300 nan 0.000 0.453 159 K N 2.851 123.344 120.400 0.155 0.000 2.240 159 K HA 0.525 4.845 4.320 -0.000 0.000 0.271 159 K C -1.073 175.570 176.600 0.073 0.000 1.018 159 K CA -0.481 55.849 56.287 0.072 0.000 0.874 159 K CB 0.615 33.144 32.500 0.048 0.000 1.098 159 K HN 0.411 nan 8.250 nan 0.000 0.458 160 R N 4.269 124.778 120.500 0.015 0.000 2.451 160 R HA 0.259 4.599 4.340 -0.000 0.000 0.307 160 R C -0.057 176.233 176.300 -0.018 0.000 0.965 160 R CA -0.423 55.678 56.100 0.002 0.000 0.865 160 R CB 1.072 31.356 30.300 -0.027 0.000 1.174 160 R HN 0.954 nan 8.270 nan 0.000 0.455 161 Q N 0.665 120.489 119.800 0.041 0.000 2.049 161 Q HA -0.298 4.042 4.340 -0.000 0.000 0.409 161 Q C -0.033 176.002 176.000 0.059 0.000 0.726 161 Q CA 2.158 58.017 55.803 0.094 0.000 0.896 161 Q CB -0.638 28.230 28.738 0.216 0.000 3.134 161 Q HN 0.587 nan 8.270 nan 0.000 0.836 162 D N 0.555 120.988 120.400 0.056 0.000 2.339 162 D HA 0.194 4.833 4.640 -0.000 0.000 0.217 162 D C 0.059 176.281 176.300 -0.130 0.000 1.050 162 D CA 0.376 54.383 54.000 0.012 0.000 0.856 162 D CB 0.073 40.961 40.800 0.147 0.000 0.922 162 D HN 0.135 nan 8.370 nan 0.000 0.518 163 L N 0.903 121.961 121.223 -0.274 0.000 2.350 163 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 163 L C 0.574 177.328 176.870 -0.193 0.000 1.099 163 L CA -0.483 54.130 54.840 -0.378 0.000 0.808 163 L CB 1.309 42.983 42.059 -0.642 0.000 1.149 163 L HN -0.338 nan 8.230 nan 0.000 0.442 164 K N 3.987 124.292 120.400 -0.158 0.000 2.263 164 K HA 0.559 4.879 4.320 -0.000 0.000 0.272 164 K C -1.089 175.454 176.600 -0.095 0.000 1.033 164 K CA -0.398 55.838 56.287 -0.086 0.000 0.884 164 K CB 0.820 33.284 32.500 -0.060 0.000 1.107 164 K HN 0.498 nan 8.250 nan 0.000 0.460 165 I N 3.627 124.183 120.570 -0.023 0.000 2.406 165 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 165 I C -0.270 175.906 176.117 0.099 0.000 0.999 165 I CA -0.850 60.457 61.300 0.012 0.000 1.124 165 I CB 1.936 39.963 38.000 0.044 0.000 1.289 165 I HN 0.638 nan 8.210 nan 0.000 0.441 166 A N 6.479 129.317 122.820 0.030 0.000 2.305 166 A HA 0.793 5.113 4.320 -0.000 0.000 0.322 166 A C -0.641 177.024 177.584 0.134 0.000 1.187 166 A CA -0.476 51.586 52.037 0.040 0.000 0.825 166 A CB 1.176 20.087 19.000 -0.149 0.000 1.164 166 A HN 0.458 nan 8.150 nan 0.000 0.498 167 V N 3.919 123.988 119.914 0.258 0.000 2.409 167 V HA 0.361 4.480 4.120 -0.000 0.000 0.291 167 V C -0.234 176.026 176.094 0.276 0.000 1.020 167 V CA -0.171 62.284 62.300 0.258 0.000 0.848 167 V CB 1.199 33.230 31.823 0.347 0.000 0.990 167 V HN 0.762 nan 8.190 nan 0.000 0.430 168 I N 3.392 124.089 120.570 0.212 0.000 2.428 168 I HA 0.651 4.821 4.170 -0.000 0.000 0.296 168 I C 0.889 177.123 176.117 0.195 0.000 0.985 168 I CA -0.158 61.284 61.300 0.237 0.000 1.260 168 I CB 1.699 39.806 38.000 0.178 0.000 1.389 168 I HN 0.713 nan 8.210 nan 0.000 0.484 169 G N 6.231 115.145 108.800 0.190 0.000 2.379 169 G HA2 0.754 4.714 3.960 -0.000 0.000 0.327 169 G HA3 0.754 4.714 3.960 -0.000 0.000 0.327 169 G C -1.012 173.971 174.900 0.138 0.000 1.145 169 G CA -0.438 44.755 45.100 0.154 0.000 0.905 169 G HN 0.422 nan 8.290 nan 0.000 0.466 170 L N 0.789 122.093 121.223 0.134 0.000 2.388 170 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 170 L C -0.254 176.707 176.870 0.151 0.000 0.998 170 L CA -0.821 54.099 54.840 0.134 0.000 0.817 170 L CB 2.939 45.069 42.059 0.118 0.000 1.338 170 L HN 0.429 nan 8.230 nan 0.000 0.414 171 T N -0.403 114.251 114.554 0.166 0.000 2.861 171 T HA 0.242 4.592 4.350 -0.000 0.000 0.287 171 T C -0.251 174.522 174.700 0.122 0.000 1.003 171 T CA -0.442 61.766 62.100 0.181 0.000 0.977 171 T CB 1.895 70.916 68.868 0.254 0.000 0.996 171 T HN 0.607 nan 8.240 nan 0.000 0.448 172 T N 1.939 116.501 114.554 0.013 0.000 2.934 172 T HA 0.013 4.363 4.350 -0.000 0.000 0.306 172 T C 1.139 175.722 174.700 -0.194 0.000 1.042 172 T CA -0.289 61.752 62.100 -0.099 0.000 1.145 172 T CB 0.106 68.822 68.868 -0.252 0.000 0.982 172 T HN 0.661 nan 8.240 nan 0.000 0.544 173 D N 2.934 123.240 120.400 -0.156 0.000 2.363 173 D HA -0.047 4.592 4.640 -0.000 0.000 0.226 173 D C 1.042 177.098 176.300 -0.408 0.000 1.020 173 D CA 0.200 54.034 54.000 -0.275 0.000 0.892 173 D CB -0.068 40.694 40.800 -0.064 0.000 0.900 173 D HN 0.544 nan 8.370 nan 0.000 0.531 174 D N 0.701 120.918 120.400 -0.306 0.000 2.310 174 D HA -0.092 4.548 4.640 -0.000 0.000 0.212 174 D C 1.563 177.647 176.300 -0.361 0.000 0.965 174 D CA 0.810 54.660 54.000 -0.250 0.000 0.879 174 D CB -0.148 40.599 40.800 -0.088 0.000 0.921 174 D HN 0.202 nan 8.370 nan 0.000 0.510 175 T N 0.513 114.708 114.554 -0.599 0.000 2.685 175 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 175 T C 1.952 176.154 174.700 -0.830 0.000 1.034 175 T CA 1.708 63.386 62.100 -0.705 0.000 1.149 175 T CB -0.193 68.039 68.868 -1.061 0.000 0.860 175 T HN 0.242 nan 8.240 nan 0.000 0.449 176 A N 0.690 122.835 122.820 -1.125 0.000 2.066 176 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 176 A C 2.187 179.587 177.584 -0.307 0.000 1.157 176 A CA 1.439 52.934 52.037 -0.904 0.000 0.670 176 A CB -0.367 18.252 19.000 -0.636 0.000 0.804 176 A HN 0.461 nan 8.150 nan 0.000 0.453 177 K N -0.106 120.149 120.400 -0.241 0.000 2.167 177 K HA 0.031 4.350 4.320 -0.000 0.000 0.203 177 K C 1.706 178.306 176.600 0.000 0.000 1.052 177 K CA 1.335 57.572 56.287 -0.083 0.000 0.956 177 K CB -0.190 32.250 32.500 -0.100 0.000 0.735 177 K HN 0.671 nan 8.250 nan 0.000 0.451 178 I N -2.932 117.629 120.570 -0.014 0.000 3.081 178 I HA 0.275 4.445 4.170 -0.000 0.000 0.274 178 I C 1.042 177.228 176.117 0.114 0.000 1.178 178 I CA -0.134 61.206 61.300 0.066 0.000 1.460 178 I CB 0.178 38.229 38.000 0.086 0.000 1.137 178 I HN -0.061 nan 8.210 nan 0.000 0.443 179 G N 1.057 109.968 108.800 0.185 0.000 2.510 179 G HA2 0.097 4.057 3.960 -0.000 0.000 0.280 179 G HA3 0.097 4.057 3.960 -0.000 0.000 0.280 179 G C -0.713 174.319 174.900 0.219 0.000 1.386 179 G CA -0.584 44.690 45.100 0.291 0.000 1.047 179 G HN 0.277 nan 8.290 nan 0.000 0.527 180 N N 1.004 119.719 118.700 0.024 0.000 2.416 180 N HA 0.154 4.894 4.740 -0.000 0.000 0.265 180 N C -1.163 174.186 175.510 -0.267 0.000 1.195 180 N CA -1.996 50.886 53.050 -0.281 0.000 0.943 180 N CB 1.546 39.587 38.487 -0.744 0.000 1.115 180 N HN -0.022 nan 8.380 nan 0.000 0.481 181 P HA -0.121 nan 4.420 nan 0.000 0.222 181 P C 0.403 177.665 177.300 -0.064 0.000 1.147 181 P CA 1.197 64.327 63.100 0.050 0.000 0.790 181 P CB 0.365 32.078 31.700 0.022 0.000 0.780 182 E N -1.385 118.686 120.200 -0.215 0.000 2.268 182 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 182 E C 1.379 177.929 176.600 -0.084 0.000 0.995 182 E CA 0.747 57.050 56.400 -0.162 0.000 0.836 182 E CB -0.376 29.202 29.700 -0.204 0.000 0.763 182 E HN 0.351 nan 8.360 nan 0.000 0.491 183 Y N -1.219 118.860 120.300 -0.369 0.000 2.561 183 Y HA -0.020 4.529 4.550 -0.000 0.000 0.291 183 Y C 0.974 176.591 175.900 -0.472 0.000 1.141 183 Y CA 0.225 58.023 58.100 -0.503 0.000 1.303 183 Y CB 0.074 38.062 38.460 -0.787 0.000 1.015 183 Y HN 0.023 nan 8.280 nan 0.000 0.547 184 F N -1.410 118.659 119.950 0.197 0.000 2.735 184 F HA 0.181 4.708 4.527 -0.000 0.000 0.308 184 F C 1.952 177.807 175.800 0.092 0.000 1.112 184 F CA -0.171 57.915 58.000 0.145 0.000 1.235 184 F CB -0.861 38.227 39.000 0.146 0.000 1.027 184 F HN -0.102 nan 8.300 nan 0.000 0.528 185 T N -3.339 111.321 114.554 0.178 0.000 2.867 185 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 185 T C 1.240 176.001 174.700 0.102 0.000 1.057 185 T CA 1.680 63.850 62.100 0.117 0.000 1.136 185 T CB -0.128 68.779 68.868 0.065 0.000 0.874 185 T HN 0.053 nan 8.240 nan 0.000 0.466 186 D N 0.367 120.827 120.400 0.101 0.000 2.525 186 D HA 0.365 5.004 4.640 -0.000 0.000 0.229 186 D C -0.530 175.818 176.300 0.081 0.000 1.202 186 D CA -0.482 53.561 54.000 0.073 0.000 0.828 186 D CB -0.261 40.566 40.800 0.044 0.000 1.008 186 D HN 0.517 nan 8.370 nan 0.000 0.493 187 I N 1.256 121.903 120.570 0.128 0.000 2.582 187 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 187 I C -0.366 175.788 176.117 0.062 0.000 1.066 187 I CA -0.899 60.454 61.300 0.089 0.000 1.053 187 I CB 2.222 40.324 38.000 0.171 0.000 1.241 187 I HN -0.046 nan 8.210 nan 0.000 0.421 188 E N 4.979 125.171 120.200 -0.014 0.000 2.288 188 E HA 0.569 4.919 4.350 -0.000 0.000 0.268 188 E C -1.703 174.830 176.600 -0.111 0.000 0.885 188 E CA -0.761 55.648 56.400 0.015 0.000 0.767 188 E CB 2.345 32.073 29.700 0.046 0.000 1.220 188 E HN 0.239 nan 8.360 nan 0.000 0.427 189 F N 1.437 121.376 119.950 -0.019 0.000 2.361 189 F HA 0.348 4.874 4.527 -0.000 0.000 0.364 189 F C 0.893 176.705 175.800 0.019 0.000 1.117 189 F CA -0.822 57.175 58.000 -0.006 0.000 1.071 189 F CB 1.415 40.344 39.000 -0.119 0.000 1.188 189 F HN 0.334 nan 8.300 nan 0.000 0.464 190 R N 2.853 123.471 120.500 0.198 0.000 2.641 190 R HA 0.134 4.474 4.340 -0.000 0.000 0.269 190 R C 0.217 176.594 176.300 0.128 0.000 1.074 190 R CA -0.646 55.529 56.100 0.125 0.000 1.133 190 R CB 0.601 30.973 30.300 0.119 0.000 1.029 190 R HN 0.616 nan 8.270 nan 0.000 0.488 191 K N 4.957 125.399 120.400 0.070 0.000 2.430 191 K HA 0.026 4.346 4.320 -0.000 0.000 0.280 191 K C -1.649 174.991 176.600 0.066 0.000 1.063 191 K CA -1.175 55.140 56.287 0.047 0.000 1.071 191 K CB 0.820 33.328 32.500 0.013 0.000 0.899 191 K HN 0.385 nan 8.250 nan 0.000 0.473 192 P HA -0.197 nan 4.420 nan 0.000 0.218 192 P C 0.793 178.134 177.300 0.068 0.000 1.149 192 P CA 1.287 64.439 63.100 0.087 0.000 0.817 192 P CB 0.089 31.839 31.700 0.084 0.000 0.785 193 A N 0.430 123.276 122.820 0.044 0.000 1.933 193 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 193 A C 1.988 179.594 177.584 0.038 0.000 1.175 193 A CA 2.037 54.095 52.037 0.034 0.000 0.628 193 A CB -1.161 17.849 19.000 0.017 0.000 0.814 193 A HN 0.086 nan 8.150 nan 0.000 0.444 194 D N -0.920 119.504 120.400 0.039 0.000 2.137 194 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 194 D C 1.897 178.232 176.300 0.058 0.000 0.970 194 D CA 1.381 55.403 54.000 0.037 0.000 0.837 194 D CB -0.328 40.488 40.800 0.026 0.000 0.981 194 D HN 0.541 nan 8.370 nan 0.000 0.475 195 E N 1.054 121.304 120.200 0.084 0.000 2.085 195 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 195 E C 1.902 178.565 176.600 0.106 0.000 0.994 195 E CA 1.405 57.877 56.400 0.120 0.000 0.801 195 E CB -0.221 29.576 29.700 0.162 0.000 0.743 195 E HN 0.171 nan 8.360 nan 0.000 0.453 196 A N 0.651 123.523 122.820 0.087 0.000 1.902 196 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 196 A C 1.999 179.619 177.584 0.059 0.000 1.181 196 A CA 1.849 53.932 52.037 0.077 0.000 0.623 196 A CB -0.429 18.608 19.000 0.062 0.000 0.818 196 A HN 0.211 nan 8.150 nan 0.000 0.443 197 K N -0.263 120.166 120.400 0.048 0.000 2.063 197 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 197 K C 1.834 178.458 176.600 0.040 0.000 1.048 197 K CA 1.502 57.810 56.287 0.034 0.000 0.928 197 K CB -0.426 32.090 32.500 0.026 0.000 0.713 197 K HN 0.476 nan 8.250 nan 0.000 0.442 198 L N 0.535 121.791 121.223 0.056 0.000 2.056 198 L HA -0.163 4.176 4.340 -0.000 0.000 0.207 198 L C 2.366 179.283 176.870 0.079 0.000 1.078 198 L CA 0.848 55.727 54.840 0.065 0.000 0.749 198 L CB -0.507 41.600 42.059 0.081 0.000 0.901 198 L HN -0.017 nan 8.230 nan 0.000 0.433 199 V N 0.024 119.999 119.914 0.103 0.000 2.427 199 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 199 V C 2.332 178.448 176.094 0.036 0.000 1.051 199 V CA 1.573 63.947 62.300 0.123 0.000 1.048 199 V CB -0.284 31.654 31.823 0.192 0.000 0.666 199 V HN 0.298 nan 8.190 nan 0.000 0.456 200 I N -0.081 120.503 120.570 0.023 0.000 2.208 200 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 200 I C 2.683 178.783 176.117 -0.029 0.000 1.097 200 I CA 2.020 63.309 61.300 -0.017 0.000 1.363 200 I CB -0.301 37.697 38.000 -0.003 0.000 1.051 200 I HN 0.383 nan 8.210 nan 0.000 0.413 201 Q N 0.883 120.681 119.800 -0.004 0.000 2.084 201 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 201 Q C 2.165 178.160 176.000 -0.009 0.000 0.978 201 Q CA 1.816 57.616 55.803 -0.004 0.000 0.844 201 Q CB -0.106 28.638 28.738 0.010 0.000 0.898 201 Q HN 0.449 nan 8.270 nan 0.000 0.426 202 E N 0.147 120.351 120.200 0.008 0.000 2.065 202 E HA -0.249 4.101 4.350 -0.000 0.000 0.201 202 E C 2.049 178.612 176.600 -0.062 0.000 1.016 202 E CA 1.595 58.002 56.400 0.011 0.000 0.818 202 E CB -0.206 29.546 29.700 0.085 0.000 0.749 202 E HN 0.459 nan 8.360 nan 0.000 0.453 203 L N 0.351 121.482 121.223 -0.153 0.000 2.017 203 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 203 L C 2.825 179.595 176.870 -0.166 0.000 1.073 203 L CA 1.419 56.090 54.840 -0.282 0.000 0.745 203 L CB -0.371 41.455 42.059 -0.389 0.000 0.894 203 L HN 0.233 nan 8.230 nan 0.000 0.432 204 Q N -0.694 119.044 119.800 -0.104 0.000 2.181 204 Q HA -0.232 4.107 4.340 -0.000 0.000 0.205 204 Q C 2.139 178.112 176.000 -0.046 0.000 0.980 204 Q CA 1.215 56.980 55.803 -0.063 0.000 0.862 204 Q CB 0.028 28.743 28.738 -0.039 0.000 0.905 204 Q HN 0.479 nan 8.270 nan 0.000 0.429 205 Q N -1.099 118.677 119.800 -0.040 0.000 2.398 205 Q HA -0.015 4.325 4.340 -0.000 0.000 0.204 205 Q C 1.691 177.677 176.000 -0.022 0.000 0.932 205 Q CA 1.445 57.235 55.803 -0.022 0.000 0.916 205 Q CB 0.621 29.355 28.738 -0.007 0.000 1.024 205 Q HN 0.533 nan 8.270 nan 0.000 0.504 206 T N -2.448 112.082 114.554 -0.040 0.000 3.397 206 T HA 0.132 4.482 4.350 -0.000 0.000 0.233 206 T C 1.497 176.167 174.700 -0.051 0.000 0.969 206 T CA -0.163 61.920 62.100 -0.027 0.000 1.316 206 T CB -0.070 68.799 68.868 0.002 0.000 1.175 206 T HN -0.129 nan 8.240 nan 0.000 0.381 207 E N 1.762 121.896 120.200 -0.109 0.000 2.216 207 E HA 0.070 4.419 4.350 -0.000 0.000 0.192 207 E C 0.041 176.574 176.600 -0.111 0.000 0.988 207 E CA 0.345 56.668 56.400 -0.129 0.000 0.834 207 E CB -0.219 29.315 29.700 -0.276 0.000 0.772 207 E HN 0.635 nan 8.360 nan 0.000 0.479 208 K N 0.884 121.217 120.400 -0.113 0.000 3.239 208 K HA -0.121 4.198 4.320 -0.000 0.000 0.270 208 K C -2.405 174.158 176.600 -0.062 0.000 1.049 208 K CA 0.248 56.493 56.287 -0.069 0.000 0.769 208 K CB -1.455 31.024 32.500 -0.035 0.000 1.305 208 K HN 0.229 nan 8.250 nan 0.000 0.469 209 P HA 0.037 nan 4.420 nan 0.000 0.272 209 P C 0.136 177.416 177.300 -0.034 0.000 1.223 209 P CA -0.078 62.972 63.100 -0.084 0.000 0.784 209 P CB 0.645 32.269 31.700 -0.127 0.000 0.923 210 D N 0.701 121.079 120.400 -0.036 0.000 2.194 210 D HA 0.053 4.693 4.640 -0.000 0.000 0.204 210 D C 0.772 177.067 176.300 -0.008 0.000 0.964 210 D CA 1.375 55.377 54.000 0.003 0.000 0.846 210 D CB 0.286 40.986 40.800 -0.166 0.000 0.962 210 D HN 0.372 nan 8.370 nan 0.000 0.490 211 I N 0.679 121.195 120.570 -0.090 0.000 2.619 211 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 211 I C -0.748 175.330 176.117 -0.065 0.000 1.100 211 I CA -0.669 60.586 61.300 -0.075 0.000 1.043 211 I CB 2.942 40.851 38.000 -0.152 0.000 1.239 211 I HN -0.321 nan 8.210 nan 0.000 0.420 212 I N 6.356 126.896 120.570 -0.050 0.000 2.436 212 I HA 0.530 4.700 4.170 -0.000 0.000 0.289 212 I C -0.770 175.334 176.117 -0.023 0.000 1.010 212 I CA -0.513 60.766 61.300 -0.035 0.000 1.098 212 I CB 1.964 39.940 38.000 -0.040 0.000 1.266 212 I HN 0.334 nan 8.210 nan 0.000 0.434 213 I N 4.621 125.194 120.570 0.005 0.000 2.569 213 I HA 0.622 4.791 4.170 -0.000 0.000 0.296 213 I C -0.101 176.048 176.117 0.054 0.000 1.028 213 I CA -0.642 60.668 61.300 0.016 0.000 1.082 213 I CB 2.226 40.230 38.000 0.007 0.000 1.264 213 I HN 0.623 nan 8.210 nan 0.000 0.429 214 A N 4.573 127.425 122.820 0.053 0.000 2.288 214 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 214 A C -0.278 177.352 177.584 0.077 0.000 1.217 214 A CA -0.527 51.556 52.037 0.076 0.000 0.840 214 A CB 0.966 20.006 19.000 0.066 0.000 1.179 214 A HN 0.767 nan 8.150 nan 0.000 0.504 215 A N 2.783 125.666 122.820 0.104 0.000 2.252 215 A HA 0.688 5.007 4.320 -0.000 0.000 0.309 215 A C 0.449 178.105 177.584 0.120 0.000 1.285 215 A CA 0.197 52.300 52.037 0.110 0.000 0.900 215 A CB -0.082 18.999 19.000 0.136 0.000 1.157 215 A HN 1.500 nan 8.150 nan 0.000 0.536 216 T N -0.298 114.320 114.554 0.107 0.000 2.907 216 T HA 0.554 4.903 4.350 -0.000 0.000 0.292 216 T C -0.733 174.051 174.700 0.140 0.000 1.043 216 T CA -0.468 61.703 62.100 0.117 0.000 1.003 216 T CB 1.325 70.240 68.868 0.077 0.000 1.084 216 T HN 0.638 nan 8.240 nan 0.000 0.483 217 H N 1.893 121.010 119.070 0.079 0.000 2.418 217 H HA 0.590 5.146 4.556 -0.000 0.000 0.238 217 H C 0.304 175.630 175.328 -0.003 0.000 1.403 217 H CA -0.569 55.529 56.048 0.085 0.000 1.419 217 H CB 0.137 29.963 29.762 0.106 0.000 1.463 217 H HN 0.675 nan 8.280 nan 0.000 0.515 218 M N 1.379 120.973 119.600 -0.009 0.000 2.180 218 M HA 0.306 4.786 4.480 -0.000 0.000 0.289 218 M C 0.409 176.736 176.300 0.045 0.000 1.089 218 M CA 0.634 55.932 55.300 -0.004 0.000 1.120 218 M CB 1.562 34.178 32.600 0.026 0.000 1.864 218 M HN 0.606 nan 8.290 nan 0.000 0.636 219 G N 1.064 109.841 108.800 -0.039 0.000 2.911 219 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 219 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 219 G C -1.346 173.201 174.900 -0.588 0.000 1.136 219 G CA -0.867 44.068 45.100 -0.275 0.000 0.764 219 G HN 0.458 nan 8.290 nan 0.000 0.626 220 H N 1.829 120.499 119.070 -0.668 0.000 2.556 220 H HA 0.606 5.161 4.556 -0.000 0.000 0.310 220 H C -0.971 173.969 175.328 -0.647 0.000 1.057 220 H CA -0.253 55.495 56.048 -0.501 0.000 1.264 220 H CB 0.682 30.291 29.762 -0.256 0.000 1.404 220 H HN 0.431 nan 8.280 nan 0.000 0.462 221 Y N 2.768 122.921 120.300 -0.244 0.000 2.331 221 Y HA 0.122 4.672 4.550 -0.000 0.000 0.334 221 Y C 0.228 176.020 175.900 -0.180 0.000 0.960 221 Y CA -1.294 56.756 58.100 -0.084 0.000 1.130 221 Y CB 0.900 39.353 38.460 -0.011 0.000 1.164 221 Y HN 0.554 nan 8.280 nan 0.000 0.458 222 D N 2.823 123.293 120.400 0.117 0.000 2.658 222 D HA -0.122 4.518 4.640 -0.000 0.000 0.230 222 D C 0.872 177.192 176.300 0.032 0.000 1.118 222 D CA 1.218 55.274 54.000 0.094 0.000 0.848 222 D CB 0.149 41.010 40.800 0.102 0.000 1.160 222 D HN 0.705 nan 8.370 nan 0.000 0.497 223 N N 1.705 120.408 118.700 0.006 0.000 2.693 223 N HA -0.250 4.489 4.740 -0.000 0.000 0.249 223 N C 0.816 176.319 175.510 -0.011 0.000 1.119 223 N CA 1.867 54.913 53.050 -0.007 0.000 0.717 223 N CB -0.989 37.497 38.487 -0.003 0.000 1.071 223 N HN 0.769 nan 8.380 nan 0.000 0.555 224 G N -1.012 107.785 108.800 -0.006 0.000 2.168 224 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 224 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 224 G C -0.229 174.691 174.900 0.034 0.000 0.997 224 G CA 0.486 45.620 45.100 0.058 0.000 0.708 224 G HN 0.651 nan 8.290 nan 0.000 0.520 225 E N 0.287 120.477 120.200 -0.016 0.000 1.932 225 E HA 0.350 4.700 4.350 -0.000 0.000 0.259 225 E C 1.252 177.717 176.600 -0.225 0.000 1.099 225 E CA -0.086 56.214 56.400 -0.167 0.000 0.970 225 E CB -0.039 29.604 29.700 -0.096 0.000 1.143 225 E HN 0.834 nan 8.360 nan 0.000 0.441 226 H N 1.211 120.156 119.070 -0.210 0.000 2.535 226 H HA 0.222 4.777 4.556 -0.000 0.000 0.273 226 H C 1.389 176.430 175.328 -0.479 0.000 0.983 226 H CA 0.250 55.924 56.048 -0.623 0.000 1.238 226 H CB 0.118 29.590 29.762 -0.482 0.000 1.412 226 H HN 0.508 nan 8.280 nan 0.000 0.562 227 G N 0.540 109.102 108.800 -0.397 0.000 2.634 227 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.318 227 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.318 227 G C 1.534 176.402 174.900 -0.054 0.000 1.207 227 G CA 1.005 45.986 45.100 -0.198 0.000 0.987 227 G HN 0.476 nan 8.290 nan 0.000 0.547 228 S N 1.911 117.569 115.700 -0.070 0.000 2.489 228 S HA 0.078 4.548 4.470 -0.000 0.000 0.228 228 S C 1.056 175.631 174.600 -0.041 0.000 0.995 228 S CA 0.501 58.673 58.200 -0.047 0.000 0.934 228 S CB -0.247 62.914 63.200 -0.065 0.000 0.771 228 S HN 0.553 nan 8.310 nan 0.000 0.522 229 N N 1.867 120.519 118.700 -0.080 0.000 2.503 229 N HA 0.355 5.095 4.740 -0.000 0.000 0.267 229 N C -0.067 175.381 175.510 -0.103 0.000 1.214 229 N CA -0.007 52.994 53.050 -0.082 0.000 0.959 229 N CB 0.703 39.063 38.487 -0.211 0.000 1.142 229 N HN 0.193 nan 8.380 nan 0.000 0.455 230 A N 2.144 124.907 122.820 -0.095 0.000 2.483 230 A HA 0.238 4.558 4.320 -0.000 0.000 0.238 230 A C -2.003 175.411 177.584 -0.283 0.000 1.070 230 A CA -0.781 51.141 52.037 -0.192 0.000 0.770 230 A CB -0.560 18.368 19.000 -0.119 0.000 1.008 230 A HN 0.417 nan 8.150 nan 0.000 0.497 231 P HA 0.111 nan 4.420 nan 0.000 0.263 231 P C 0.636 177.929 177.300 -0.011 0.000 1.175 231 P CA 1.128 63.996 63.100 -0.386 0.000 0.761 231 P CB 0.615 32.127 31.700 -0.312 0.000 0.794 232 G N 1.842 110.741 108.800 0.166 0.000 3.247 232 G HA2 0.110 4.069 3.960 -0.000 0.000 0.163 232 G HA3 0.110 4.069 3.960 -0.000 0.000 0.163 232 G C 0.419 175.343 174.900 0.040 0.000 1.206 232 G CA -0.201 44.979 45.100 0.134 0.000 0.918 232 G HN 0.286 nan 8.290 nan 0.000 0.625 233 D N -0.514 119.872 120.400 -0.024 0.000 2.117 233 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 233 D C 2.730 179.006 176.300 -0.040 0.000 0.982 233 D CA 0.759 54.743 54.000 -0.028 0.000 0.828 233 D CB -0.206 40.578 40.800 -0.027 0.000 0.967 233 D HN 0.036 nan 8.370 nan 0.000 0.464 234 V N 1.100 120.954 119.914 -0.100 0.000 2.307 234 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 234 V C 2.471 178.549 176.094 -0.027 0.000 1.045 234 V CA 1.653 63.896 62.300 -0.096 0.000 1.024 234 V CB -0.398 31.313 31.823 -0.187 0.000 0.651 234 V HN 0.185 nan 8.190 nan 0.000 0.449 235 E N -0.382 119.826 120.200 0.014 0.000 2.110 235 E HA -0.273 4.076 4.350 -0.000 0.000 0.193 235 E C 2.231 178.840 176.600 0.014 0.000 0.988 235 E CA 1.685 58.106 56.400 0.034 0.000 0.804 235 E CB -0.130 29.619 29.700 0.081 0.000 0.745 235 E HN 0.582 nan 8.360 nan 0.000 0.458 236 M N 0.099 119.706 119.600 0.011 0.000 2.117 236 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 236 M C 2.205 178.506 176.300 0.001 0.000 1.065 236 M CA 1.826 57.131 55.300 0.009 0.000 1.114 236 M CB -0.067 32.543 32.600 0.016 0.000 1.361 236 M HN 0.179 nan 8.290 nan 0.000 0.408 237 A N 0.626 123.442 122.820 -0.007 0.000 1.933 237 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 237 A C 2.081 179.650 177.584 -0.024 0.000 1.175 237 A CA 1.777 53.803 52.037 -0.018 0.000 0.628 237 A CB -0.689 18.294 19.000 -0.028 0.000 0.814 237 A HN 0.608 nan 8.150 nan 0.000 0.444 238 R N -0.788 119.699 120.500 -0.021 0.000 2.148 238 R HA 0.003 4.343 4.340 -0.000 0.000 0.227 238 R C 2.104 178.396 176.300 -0.014 0.000 1.103 238 R CA 1.012 57.099 56.100 -0.021 0.000 0.983 238 R CB -0.260 30.030 30.300 -0.016 0.000 0.874 238 R HN 0.511 nan 8.270 nan 0.000 0.451 239 A N 0.485 123.301 122.820 -0.007 0.000 2.147 239 A HA 0.173 4.492 4.320 -0.000 0.000 0.211 239 A C 0.915 178.497 177.584 -0.003 0.000 1.160 239 A CA -0.007 52.029 52.037 -0.003 0.000 0.781 239 A CB 0.151 19.152 19.000 0.003 0.000 0.842 239 A HN 0.047 nan 8.150 nan 0.000 0.475 240 L N 0.287 121.507 121.223 -0.005 0.000 2.466 240 L HA 0.271 4.611 4.340 -0.000 0.000 0.257 240 L C -2.240 174.624 176.870 -0.011 0.000 1.189 240 L CA -2.106 52.731 54.840 -0.005 0.000 0.813 240 L CB 0.118 42.175 42.059 -0.004 0.000 1.118 240 L HN 0.007 nan 8.230 nan 0.000 0.471 241 P HA 0.039 nan 4.420 nan 0.000 0.269 241 P C -0.879 176.408 177.300 -0.022 0.000 1.209 241 P CA -0.264 62.827 63.100 -0.014 0.000 0.776 241 P CB 0.527 32.221 31.700 -0.011 0.000 0.876 242 A N 2.911 125.715 122.820 -0.027 0.000 2.520 242 A HA 0.412 4.731 4.320 -0.000 0.000 0.245 242 A C 1.577 179.138 177.584 -0.038 0.000 1.072 242 A CA 0.588 52.602 52.037 -0.038 0.000 0.761 242 A CB -1.369 17.607 19.000 -0.040 0.000 1.004 242 A HN 0.883 nan 8.150 nan 0.000 0.499 243 G N 1.768 110.538 108.800 -0.050 0.000 2.180 243 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.263 243 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.263 243 G C 1.251 176.136 174.900 -0.026 0.000 0.989 243 G CA 1.524 46.598 45.100 -0.044 0.000 0.692 243 G HN 2.053 nan 8.290 nan 0.000 0.526 244 S N -1.163 114.524 115.700 -0.022 0.000 2.419 244 S HA 0.259 4.729 4.470 -0.000 0.000 0.233 244 S C 1.046 175.637 174.600 -0.014 0.000 1.016 244 S CA 0.993 59.184 58.200 -0.016 0.000 0.974 244 S CB 0.115 63.308 63.200 -0.013 0.000 0.786 244 S HN 0.604 nan 8.310 nan 0.000 0.492 245 L N 0.609 121.825 121.223 -0.012 0.000 2.329 245 L HA 0.637 4.977 4.340 -0.000 0.000 0.279 245 L C 1.311 178.179 176.870 -0.004 0.000 1.014 245 L CA -0.388 54.448 54.840 -0.007 0.000 0.814 245 L CB 1.570 43.632 42.059 0.005 0.000 1.257 245 L HN 0.130 nan 8.230 nan 0.000 0.424 246 A N 4.565 127.372 122.820 -0.023 0.000 1.898 246 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 246 A C 0.698 178.340 177.584 0.097 0.000 1.181 246 A CA 1.455 53.472 52.037 -0.034 0.000 0.620 246 A CB -0.022 18.837 19.000 -0.236 0.000 0.819 246 A HN 0.769 nan 8.150 nan 0.000 0.442 247 M N -2.802 116.838 119.600 0.066 0.000 2.643 247 M HA 0.616 5.096 4.480 -0.000 0.000 0.276 247 M C -2.209 174.128 176.300 0.062 0.000 1.200 247 M CA -0.615 54.770 55.300 0.141 0.000 0.863 247 M CB 1.432 34.162 32.600 0.217 0.000 1.711 247 M HN -0.080 nan 8.290 nan 0.000 0.492 248 I N 2.680 123.283 120.570 0.056 0.000 2.328 248 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 248 I C -0.659 175.445 176.117 -0.022 0.000 1.012 248 I CA -1.018 60.297 61.300 0.025 0.000 1.195 248 I CB 1.831 39.848 38.000 0.028 0.000 1.350 248 I HN 0.451 nan 8.210 nan 0.000 0.464 249 V N 6.596 126.487 119.914 -0.037 0.000 2.389 249 V HA 0.439 4.559 4.120 -0.000 0.000 0.264 249 V C 0.849 176.936 176.094 -0.012 0.000 1.049 249 V CA -0.054 62.186 62.300 -0.100 0.000 0.932 249 V CB 0.657 32.445 31.823 -0.058 0.000 1.011 249 V HN 0.900 nan 8.190 nan 0.000 0.475 250 G N 3.043 111.834 108.800 -0.015 0.000 2.887 250 G HA2 0.907 4.866 3.960 -0.000 0.000 0.277 250 G HA3 0.907 4.866 3.960 -0.000 0.000 0.277 250 G C -0.167 174.741 174.900 0.014 0.000 1.346 250 G CA -0.214 44.890 45.100 0.007 0.000 1.058 250 G HN 1.085 nan 8.290 nan 0.000 0.535 251 G N -3.369 105.394 108.800 -0.062 0.000 2.490 251 G HA2 0.531 4.491 3.960 -0.000 0.000 0.308 251 G HA3 0.531 4.491 3.960 -0.000 0.000 0.308 251 G C -0.134 174.616 174.900 -0.250 0.000 1.286 251 G CA 0.983 45.994 45.100 -0.149 0.000 0.825 251 G HN 1.753 nan 8.290 nan 0.000 0.479 252 H N -1.516 117.231 119.070 -0.537 0.000 4.784 252 H HA -0.339 4.217 4.556 -0.000 0.000 0.074 252 H C 2.323 177.629 175.328 -0.036 0.000 0.597 252 H CA 3.770 59.590 56.048 -0.380 0.000 0.998 252 H CB -1.389 28.137 29.762 -0.392 0.000 0.434 252 H HN 1.203 nan 8.280 nan 0.000 0.784 253 S N 1.116 116.771 115.700 -0.075 0.000 2.447 253 S HA -0.106 4.363 4.470 -0.000 0.000 0.233 253 S C 0.929 175.495 174.600 -0.057 0.000 1.006 253 S CA 1.272 59.423 58.200 -0.082 0.000 0.957 253 S CB -0.120 62.995 63.200 -0.141 0.000 0.773 253 S HN 0.743 nan 8.310 nan 0.000 0.507 254 Q N 1.390 121.168 119.800 -0.037 0.000 2.456 254 Q HA -0.109 4.230 4.340 -0.000 0.000 0.325 254 Q C -1.485 174.567 176.000 0.088 0.000 1.453 254 Q CA 0.705 56.522 55.803 0.025 0.000 0.848 254 Q CB -1.629 27.092 28.738 -0.029 0.000 1.123 254 Q HN 0.677 nan 8.270 nan 0.000 0.374 255 D N 0.861 121.253 120.400 -0.013 0.000 2.457 255 D HA 0.380 5.020 4.640 -0.000 0.000 0.240 255 D C -2.528 173.637 176.300 -0.224 0.000 1.041 255 D CA -1.631 52.270 54.000 -0.165 0.000 0.861 255 D CB 1.866 42.560 40.800 -0.176 0.000 1.394 255 D HN -0.081 nan 8.370 nan 0.000 0.473 256 P HA 0.085 nan 4.420 nan 0.000 0.281 256 P C -0.051 176.967 177.300 -0.469 0.000 1.286 256 P CA -0.377 62.421 63.100 -0.504 0.000 0.772 256 P CB 0.694 31.904 31.700 -0.817 0.000 0.862 257 V N 5.320 125.004 119.914 -0.383 0.000 2.326 257 V HA 0.082 4.201 4.120 -0.000 0.000 0.249 257 V C 0.241 176.107 176.094 -0.380 0.000 1.114 257 V CA 0.267 62.303 62.300 -0.440 0.000 1.028 257 V CB -0.587 30.944 31.823 -0.487 0.000 1.170 257 V HN 0.638 nan 8.190 nan 0.000 0.494 258 c N 6.649 125.031 118.600 -0.364 0.000 2.381 258 c HA 0.574 5.144 4.570 -0.000 0.000 0.328 258 c C 0.043 174.045 174.090 -0.146 0.000 1.190 258 c CA -1.087 55.086 56.329 -0.261 0.000 1.369 258 c CB 1.121 43.394 42.510 -0.394 0.000 2.029 258 c HN 0.618 nan 8.230 nan 0.000 0.448 259 M N 2.612 122.160 119.600 -0.088 0.000 2.108 259 M HA 0.296 4.776 4.480 -0.000 0.000 0.354 259 M C 1.032 177.326 176.300 -0.010 0.000 1.229 259 M CA -0.601 54.672 55.300 -0.046 0.000 1.081 259 M CB 0.634 33.221 32.600 -0.022 0.000 1.606 259 M HN 0.853 nan 8.290 nan 0.000 0.467 260 A N 3.008 125.827 122.820 -0.002 0.000 1.935 260 A HA 0.541 4.860 4.320 -0.000 0.000 0.214 260 A C 0.951 178.541 177.584 0.010 0.000 1.178 260 A CA 1.313 53.356 52.037 0.010 0.000 0.640 260 A CB 0.133 19.140 19.000 0.010 0.000 0.825 260 A HN 0.817 nan 8.150 nan 0.000 0.447 261 A N -1.155 121.670 122.820 0.010 0.000 2.583 261 A HA 0.567 4.887 4.320 -0.000 0.000 0.289 261 A C -0.561 177.030 177.584 0.012 0.000 1.151 261 A CA -0.378 51.665 52.037 0.010 0.000 0.695 261 A CB 0.219 19.224 19.000 0.009 0.000 1.290 261 A HN 0.231 nan 8.150 nan 0.000 0.419 262 E N 1.050 121.256 120.200 0.010 0.000 2.558 262 E HA 0.027 4.377 4.350 -0.000 0.000 0.255 262 E C -0.215 176.394 176.600 0.015 0.000 0.968 262 E CA 0.606 57.011 56.400 0.008 0.000 0.939 262 E CB -0.074 29.626 29.700 0.000 0.000 0.921 262 E HN 0.526 nan 8.360 nan 0.000 0.477 263 N N 3.083 121.799 118.700 0.026 0.000 2.708 263 N HA -0.185 4.554 4.740 -0.000 0.000 0.251 263 N C -1.242 174.299 175.510 0.052 0.000 1.123 263 N CA 1.083 54.157 53.050 0.040 0.000 0.739 263 N CB -0.480 38.018 38.487 0.018 0.000 1.113 263 N HN 0.508 nan 8.380 nan 0.000 0.561 264 K N 0.894 121.322 120.400 0.046 0.000 2.637 264 K HA 0.250 4.570 4.320 -0.000 0.000 0.248 264 K C -0.139 176.475 176.600 0.023 0.000 0.971 264 K CA -0.438 55.874 56.287 0.041 0.000 0.858 264 K CB 1.855 34.369 32.500 0.024 0.000 1.170 264 K HN 0.028 nan 8.250 nan 0.000 0.443 265 K N 1.964 122.376 120.400 0.020 0.000 2.355 265 K HA 0.070 4.390 4.320 -0.000 0.000 0.270 265 K C 0.306 176.892 176.600 -0.023 0.000 1.003 265 K CA -0.058 56.203 56.287 -0.042 0.000 0.957 265 K CB 0.635 33.084 32.500 -0.084 0.000 0.939 265 K HN 0.399 nan 8.250 nan 0.000 0.482 266 Q N 1.151 120.936 119.800 -0.025 0.000 2.304 266 Q HA -0.022 4.318 4.340 -0.000 0.000 0.301 266 Q C -0.285 175.716 176.000 0.002 0.000 1.063 266 Q CA 0.037 55.847 55.803 0.012 0.000 0.947 266 Q CB 0.404 29.188 28.738 0.075 0.000 1.201 266 Q HN 0.242 nan 8.270 nan 0.000 0.389 267 V N 3.210 123.130 119.914 0.010 0.000 2.567 267 V HA 0.004 4.124 4.120 -0.000 0.000 0.289 267 V C 0.202 176.304 176.094 0.013 0.000 1.049 267 V CA -0.317 61.987 62.300 0.006 0.000 0.969 267 V CB 1.392 33.220 31.823 0.009 0.000 0.995 267 V HN 0.873 nan 8.190 nan 0.000 0.471 268 D N 1.837 122.242 120.400 0.009 0.000 2.686 268 D HA -0.252 4.388 4.640 -0.000 0.000 0.235 268 D C -0.100 176.205 176.300 0.009 0.000 1.160 268 D CA 0.672 54.679 54.000 0.011 0.000 0.645 268 D CB -0.876 39.927 40.800 0.006 0.000 1.039 268 D HN 0.659 nan 8.370 nan 0.000 0.423 269 Y N 0.121 120.361 120.300 -0.100 0.000 2.987 269 Y HA 0.019 4.568 4.550 -0.000 0.000 0.339 269 Y C 0.107 175.953 175.900 -0.090 0.000 1.272 269 Y CA 0.343 58.375 58.100 -0.114 0.000 1.562 269 Y CB 0.531 38.883 38.460 -0.180 0.000 1.253 269 Y HN -0.033 nan 8.280 nan 0.000 0.604 270 V N 9.327 128.725 119.914 -0.859 0.000 2.398 270 V HA 0.304 4.424 4.120 -0.000 0.000 0.286 270 V C -2.041 173.494 176.094 -0.931 0.000 1.026 270 V CA -2.177 59.726 62.300 -0.663 0.000 0.868 270 V CB 1.334 32.930 31.823 -0.379 0.000 0.982 270 V HN 0.723 nan 8.190 nan 0.000 0.443 271 P HA 0.155 nan 4.420 nan 0.000 0.266 271 P C 0.927 177.980 177.300 -0.413 0.000 1.193 271 P CA 1.239 64.064 63.100 -0.459 0.000 0.770 271 P CB 0.510 31.687 31.700 -0.872 0.000 0.836 272 G N 0.726 109.462 108.800 -0.108 0.000 2.153 272 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.252 272 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.252 272 G C 0.221 175.081 174.900 -0.067 0.000 0.994 272 G CA 0.474 45.553 45.100 -0.036 0.000 0.698 272 G HN 0.855 nan 8.290 nan 0.000 0.521 273 T N -2.053 112.421 114.554 -0.134 0.000 2.942 273 T HA 0.756 5.106 4.350 -0.000 0.000 0.289 273 T C -2.515 172.203 174.700 0.031 0.000 1.044 273 T CA -1.642 60.399 62.100 -0.098 0.000 1.023 273 T CB 2.744 71.488 68.868 -0.206 0.000 1.123 273 T HN 0.055 nan 8.240 nan 0.000 0.512 274 P HA 0.271 nan 4.420 nan 0.000 0.266 274 P C -0.762 176.627 177.300 0.148 0.000 1.195 274 P CA -0.454 62.686 63.100 0.066 0.000 0.768 274 P CB 0.127 31.848 31.700 0.034 0.000 0.838 275 c N 4.407 123.073 118.600 0.109 0.000 2.344 275 c HA 0.367 4.937 4.570 -0.000 0.000 0.326 275 c C -0.039 174.110 174.090 0.097 0.000 1.201 275 c CA -0.758 55.618 56.329 0.078 0.000 1.410 275 c CB -0.364 42.147 42.510 0.001 0.000 2.070 275 c HN 0.584 nan 8.230 nan 0.000 0.445 276 K N 7.767 128.181 120.400 0.024 0.000 2.262 276 K HA 0.461 4.781 4.320 -0.000 0.000 0.282 276 K C -2.214 174.333 176.600 -0.089 0.000 1.066 276 K CA -1.247 55.040 56.287 -0.001 0.000 0.901 276 K CB 1.217 33.732 32.500 0.025 0.000 1.089 276 K HN 0.530 nan 8.250 nan 0.000 0.476 277 P HA 0.038 nan 4.420 nan 0.000 0.274 277 P C -0.679 176.628 177.300 0.012 0.000 1.246 277 P CA -0.320 62.601 63.100 -0.297 0.000 0.795 277 P CB 0.668 31.971 31.700 -0.662 0.000 1.006 278 D N 0.010 120.407 120.400 -0.006 0.000 2.344 278 D HA 0.164 4.803 4.640 -0.000 0.000 0.244 278 D C -0.578 175.778 176.300 0.093 0.000 1.134 278 D CA 0.196 54.233 54.000 0.062 0.000 0.930 278 D CB 0.523 41.393 40.800 0.117 0.000 1.175 278 D HN 0.232 nan 8.370 nan 0.000 0.437 279 Q N 1.691 121.451 119.800 -0.066 0.000 2.263 279 Q HA 0.261 4.600 4.340 -0.000 0.000 0.266 279 Q C -1.595 174.269 176.000 -0.227 0.000 1.002 279 Q CA -0.780 54.824 55.803 -0.331 0.000 0.790 279 Q CB 1.191 29.438 28.738 -0.818 0.000 1.272 279 Q HN 0.336 nan 8.270 nan 0.000 0.435 280 Q N 2.733 122.419 119.800 -0.190 0.000 2.292 280 Q HA 0.228 4.567 4.340 -0.000 0.000 0.270 280 Q C -0.735 175.186 176.000 -0.132 0.000 1.024 280 Q CA -0.533 55.195 55.803 -0.125 0.000 0.768 280 Q CB 1.715 30.411 28.738 -0.070 0.000 1.250 280 Q HN 0.873 nan 8.270 nan 0.000 0.447 281 N N 1.522 120.149 118.700 -0.120 0.000 2.727 281 N HA -0.255 4.485 4.740 -0.000 0.000 0.249 281 N C 0.549 175.984 175.510 -0.125 0.000 1.048 281 N CA 1.893 54.882 53.050 -0.101 0.000 0.714 281 N CB -0.966 37.480 38.487 -0.068 0.000 0.959 281 N HN 1.087 nan 8.380 nan 0.000 0.544 282 G N -1.489 107.197 108.800 -0.189 0.000 2.159 282 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.256 282 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.256 282 G C 0.093 174.838 174.900 -0.258 0.000 0.977 282 G CA 0.396 45.366 45.100 -0.217 0.000 0.652 282 G HN 0.566 nan 8.290 nan 0.000 0.531 283 I N -0.029 120.383 120.570 -0.263 0.000 2.418 283 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 283 I C 0.219 176.210 176.117 -0.210 0.000 1.008 283 I CA -1.201 59.995 61.300 -0.173 0.000 1.104 283 I CB 0.888 38.845 38.000 -0.072 0.000 1.264 283 I HN 0.124 nan 8.210 nan 0.000 0.438 284 W N 7.028 128.339 121.300 0.017 0.000 2.181 284 W HA 0.412 5.072 4.660 -0.000 0.000 0.335 284 W C -0.155 176.334 176.519 -0.050 0.000 1.310 284 W CA -0.130 57.205 57.345 -0.017 0.000 1.226 284 W CB 0.307 29.777 29.460 0.018 0.000 1.155 284 W HN 0.211 nan 8.180 nan 0.000 0.565 285 I N 4.557 125.226 120.570 0.165 0.000 2.447 285 I HA 0.385 4.555 4.170 -0.000 0.000 0.287 285 I C -0.305 175.778 176.117 -0.056 0.000 1.023 285 I CA -1.256 60.080 61.300 0.060 0.000 1.083 285 I CB 0.986 39.051 38.000 0.109 0.000 1.245 285 I HN 0.176 nan 8.210 nan 0.000 0.434 286 V N 2.818 122.647 119.914 -0.142 0.000 2.864 286 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 286 V C -0.888 175.134 176.094 -0.119 0.000 1.073 286 V CA -0.436 61.722 62.300 -0.236 0.000 0.956 286 V CB 1.962 33.532 31.823 -0.421 0.000 1.023 286 V HN 0.915 nan 8.190 nan 0.000 0.435 287 Q N 1.725 121.537 119.800 0.020 0.000 2.479 287 Q HA 0.710 5.049 4.340 -0.000 0.000 0.276 287 Q C -0.951 175.128 176.000 0.132 0.000 0.989 287 Q CA -0.151 55.720 55.803 0.114 0.000 0.864 287 Q CB 2.276 31.002 28.738 -0.019 0.000 1.444 287 Q HN 1.314 nan 8.270 nan 0.000 0.388 288 A N 2.887 125.794 122.820 0.145 0.000 2.793 288 A HA 0.285 4.605 4.320 -0.000 0.000 0.301 288 A C 0.279 177.960 177.584 0.161 0.000 1.172 288 A CA 0.734 52.796 52.037 0.042 0.000 0.973 288 A CB -0.547 18.416 19.000 -0.063 0.000 1.164 288 A HN 1.112 nan 8.150 nan 0.000 0.542 289 H N 0.310 119.358 119.070 -0.037 0.000 1.475 289 H HA -0.279 4.277 4.556 -0.000 0.000 0.090 289 H C 0.200 175.476 175.328 -0.085 0.000 0.616 289 H CA 1.969 57.987 56.048 -0.050 0.000 1.899 289 H CB -0.947 28.846 29.762 0.052 0.000 2.253 289 H HN 0.726 nan 8.280 nan 0.000 0.961 290 E N -1.090 119.016 120.200 -0.157 0.000 2.398 290 E HA 0.136 4.486 4.350 -0.000 0.000 0.280 290 E C -0.933 175.487 176.600 -0.301 0.000 1.122 290 E CA -0.148 56.061 56.400 -0.318 0.000 0.873 290 E CB 0.581 29.810 29.700 -0.785 0.000 1.294 290 E HN 0.498 nan 8.360 nan 0.000 0.435 291 W N 0.421 121.512 121.300 -0.348 0.000 3.456 291 W HA -0.184 4.476 4.660 -0.000 0.000 0.314 291 W C 1.078 177.258 176.519 -0.565 0.000 1.192 291 W CA 1.969 58.903 57.345 -0.685 0.000 0.654 291 W CB -2.321 26.362 29.460 -1.296 0.000 2.251 291 W HN 1.698 nan 8.180 nan 0.000 1.360 292 G N -0.917 107.876 108.800 -0.011 0.000 2.153 292 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.252 292 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.252 292 G C 1.326 176.177 174.900 -0.082 0.000 0.994 292 G CA 0.819 45.942 45.100 0.038 0.000 0.698 292 G HN 0.423 nan 8.290 nan 0.000 0.521 293 K N -1.480 118.782 120.400 -0.231 0.000 2.148 293 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 293 K C 0.331 176.660 176.600 -0.452 0.000 1.050 293 K CA 1.109 57.197 56.287 -0.332 0.000 0.942 293 K CB 0.053 32.259 32.500 -0.490 0.000 0.724 293 K HN 0.571 nan 8.250 nan 0.000 0.446 294 Y N -1.082 119.212 120.300 -0.010 0.000 2.524 294 Y HA 0.313 4.863 4.550 -0.000 0.000 0.347 294 Y C -0.539 175.311 175.900 -0.084 0.000 1.005 294 Y CA -1.325 56.752 58.100 -0.037 0.000 1.025 294 Y CB 1.634 40.059 38.460 -0.058 0.000 1.275 294 Y HN -0.420 nan 8.280 nan 0.000 0.460 295 V N 2.609 122.553 119.914 0.050 0.000 2.350 295 V HA 0.555 4.675 4.120 -0.000 0.000 0.276 295 V C 0.542 176.509 176.094 -0.213 0.000 1.028 295 V CA -0.748 61.498 62.300 -0.090 0.000 0.860 295 V CB 0.974 32.746 31.823 -0.084 0.000 0.990 295 V HN 0.957 nan 8.190 nan 0.000 0.453 296 G N 4.122 112.638 108.800 -0.473 0.000 2.527 296 G HA2 0.508 4.468 3.960 -0.000 0.000 0.248 296 G HA3 0.508 4.468 3.960 -0.000 0.000 0.248 296 G C -0.261 174.451 174.900 -0.313 0.000 1.231 296 G CA -0.395 44.366 45.100 -0.564 0.000 0.838 296 G HN 0.701 nan 8.290 nan 0.000 0.570 297 R N 0.868 121.137 120.500 -0.385 0.000 2.518 297 R HA 0.529 4.869 4.340 -0.000 0.000 0.296 297 R C -0.999 175.136 176.300 -0.276 0.000 1.080 297 R CA -0.593 55.365 56.100 -0.238 0.000 0.922 297 R CB 1.226 31.381 30.300 -0.243 0.000 1.184 297 R HN 0.659 nan 8.270 nan 0.000 0.445 298 A N 4.178 126.984 122.820 -0.024 0.000 2.273 298 A HA 0.385 4.704 4.320 -0.000 0.000 0.315 298 A C -1.102 176.375 177.584 -0.180 0.000 1.256 298 A CA -0.746 51.252 52.037 -0.066 0.000 0.851 298 A CB 0.860 19.905 19.000 0.075 0.000 1.172 298 A HN 0.695 nan 8.150 nan 0.000 0.508 299 D N 2.402 122.623 120.400 -0.299 0.000 2.329 299 D HA 0.511 5.151 4.640 -0.000 0.000 0.232 299 D C -0.940 175.186 176.300 -0.291 0.000 1.088 299 D CA 0.563 54.453 54.000 -0.184 0.000 0.835 299 D CB 0.991 41.710 40.800 -0.135 0.000 1.078 299 D HN 0.333 nan 8.370 nan 0.000 0.495 300 F N 0.956 120.900 119.950 -0.010 0.000 2.523 300 F HA 0.297 4.824 4.527 -0.000 0.000 0.329 300 F C 0.885 176.720 175.800 0.057 0.000 1.061 300 F CA -0.782 57.230 58.000 0.020 0.000 0.967 300 F CB 1.737 40.764 39.000 0.046 0.000 1.218 300 F HN -0.035 nan 8.300 nan 0.000 0.480 301 E N 1.867 122.250 120.200 0.305 0.000 2.210 301 E HA 0.267 4.617 4.350 -0.000 0.000 0.266 301 E C -1.647 175.121 176.600 0.280 0.000 0.883 301 E CA -0.609 55.935 56.400 0.240 0.000 0.761 301 E CB 2.848 32.634 29.700 0.143 0.000 1.156 301 E HN 0.447 nan 8.360 nan 0.000 0.412 302 F N 2.763 122.783 119.950 0.117 0.000 2.482 302 F HA 0.515 5.042 4.527 -0.000 0.000 0.331 302 F C -0.462 175.377 175.800 0.066 0.000 1.115 302 F CA -0.720 57.301 58.000 0.036 0.000 0.955 302 F CB 1.204 40.169 39.000 -0.058 0.000 1.136 302 F HN 0.323 nan 8.300 nan 0.000 0.452 303 R N 5.223 125.390 120.500 -0.555 0.000 2.510 303 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 303 R C -0.840 175.131 176.300 -0.549 0.000 1.084 303 R CA -0.477 55.421 56.100 -0.337 0.000 0.934 303 R CB 0.747 30.999 30.300 -0.079 0.000 1.201 303 R HN 0.838 nan 8.270 nan 0.000 0.431 304 N N 2.884 121.341 118.700 -0.405 0.000 2.727 304 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 304 N C 0.631 175.941 175.510 -0.333 0.000 1.048 304 N CA 1.887 54.867 53.050 -0.116 0.000 0.714 304 N CB -0.999 37.506 38.487 0.029 0.000 0.959 304 N HN 1.117 nan 8.380 nan 0.000 0.544 305 G N -1.212 107.031 108.800 -0.928 0.000 2.253 305 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.251 305 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.251 305 G C -0.115 174.504 174.900 -0.467 0.000 0.998 305 G CA 0.515 45.308 45.100 -0.510 0.000 0.621 305 G HN 0.539 nan 8.290 nan 0.000 0.524 306 E N 0.781 120.672 120.200 -0.515 0.000 2.313 306 E HA 0.512 4.862 4.350 -0.000 0.000 0.276 306 E C 0.183 176.641 176.600 -0.237 0.000 1.031 306 E CA -0.117 56.124 56.400 -0.266 0.000 0.857 306 E CB 0.615 30.213 29.700 -0.170 0.000 1.040 306 E HN 0.147 nan 8.360 nan 0.000 0.408 307 M N 2.866 122.454 119.600 -0.020 0.000 2.243 307 M HA 0.310 4.789 4.480 -0.000 0.000 0.324 307 M C -0.653 175.814 176.300 0.278 0.000 1.031 307 M CA -0.416 54.963 55.300 0.131 0.000 0.949 307 M CB 1.482 34.116 32.600 0.056 0.000 1.615 307 M HN 0.228 nan 8.290 nan 0.000 0.430 308 K N 3.160 123.760 120.400 0.334 0.000 2.376 308 K HA 0.515 4.834 4.320 -0.000 0.000 0.257 308 K C -0.708 176.055 176.600 0.272 0.000 0.939 308 K CA -0.467 56.001 56.287 0.302 0.000 0.809 308 K CB 2.875 35.470 32.500 0.158 0.000 1.121 308 K HN 0.667 nan 8.250 nan 0.000 0.425 309 M N 4.512 124.164 119.600 0.087 0.000 2.194 309 M HA -0.010 4.469 4.480 -0.000 0.000 0.347 309 M C 1.008 177.146 176.300 -0.271 0.000 1.439 309 M CA -0.173 54.836 55.300 -0.485 0.000 1.131 309 M CB 0.826 32.831 32.600 -0.992 0.000 1.733 309 M HN 0.657 nan 8.290 nan 0.000 0.467 310 V N 2.567 122.332 119.914 -0.248 0.000 2.500 310 V HA 0.246 4.366 4.120 -0.000 0.000 0.243 310 V C 0.355 176.348 176.094 -0.167 0.000 1.039 310 V CA 0.926 63.139 62.300 -0.145 0.000 1.053 310 V CB -0.350 31.427 31.823 -0.078 0.000 0.695 310 V HN 0.914 nan 8.190 nan 0.000 0.463 311 N N -1.270 117.296 118.700 -0.223 0.000 2.264 311 N HA 0.589 5.329 4.740 -0.000 0.000 0.288 311 N C -2.202 173.177 175.510 -0.219 0.000 1.094 311 N CA -0.494 52.442 53.050 -0.189 0.000 0.817 311 N CB 2.660 41.059 38.487 -0.148 0.000 1.604 311 N HN 0.407 nan 8.380 nan 0.000 0.473 312 Y N 1.885 122.010 120.300 -0.291 0.000 2.425 312 Y HA 0.389 4.939 4.550 -0.000 0.000 0.344 312 Y C -1.266 174.530 175.900 -0.174 0.000 0.969 312 Y CA -0.360 57.577 58.100 -0.272 0.000 1.052 312 Y CB 1.199 39.457 38.460 -0.336 0.000 1.215 312 Y HN 0.476 nan 8.280 nan 0.000 0.451 313 Q N 5.300 124.516 119.800 -0.973 0.000 2.462 313 Q HA 0.552 4.892 4.340 -0.000 0.000 0.285 313 Q C -2.269 173.256 176.000 -0.792 0.000 1.035 313 Q CA -1.143 54.266 55.803 -0.656 0.000 0.799 313 Q CB 2.552 31.099 28.738 -0.318 0.000 1.452 313 Q HN 0.756 nan 8.270 nan 0.000 0.404 314 L N 2.744 123.720 121.223 -0.413 0.000 2.262 314 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 314 L C -0.627 176.202 176.870 -0.068 0.000 1.035 314 L CA -0.728 53.923 54.840 -0.315 0.000 0.820 314 L CB 1.000 42.760 42.059 -0.497 0.000 1.204 314 L HN 0.577 nan 8.230 nan 0.000 0.424 315 I N 5.861 126.420 120.570 -0.018 0.000 2.312 315 I HA 0.239 4.408 4.170 -0.000 0.000 0.291 315 I C -2.062 174.161 176.117 0.178 0.000 1.031 315 I CA -1.940 59.393 61.300 0.054 0.000 1.293 315 I CB 1.037 39.020 38.000 -0.027 0.000 1.403 315 I HN 0.279 nan 8.210 nan 0.000 0.484 316 P HA 0.037 nan 4.420 nan 0.000 0.271 316 P C -0.413 176.895 177.300 0.014 0.000 1.216 316 P CA -0.153 62.978 63.100 0.051 0.000 0.771 316 P CB 0.668 32.398 31.700 0.049 0.000 0.864 317 V N 4.640 124.540 119.914 -0.022 0.000 2.218 317 V HA 0.127 4.247 4.120 -0.000 0.000 0.261 317 V C 0.400 176.522 176.094 0.046 0.000 1.142 317 V CA -0.311 62.007 62.300 0.031 0.000 0.965 317 V CB -1.136 30.725 31.823 0.063 0.000 1.190 317 V HN 0.664 nan 8.190 nan 0.000 0.478 318 N N 1.943 120.663 118.700 0.032 0.000 2.735 318 N HA -0.175 4.564 4.740 -0.000 0.000 0.248 318 N C -0.086 175.449 175.510 0.042 0.000 1.083 318 N CA 0.650 53.715 53.050 0.024 0.000 0.703 318 N CB -0.918 37.562 38.487 -0.012 0.000 1.005 318 N HN 0.576 nan 8.380 nan 0.000 0.550 319 L N -0.185 121.088 121.223 0.085 0.000 2.452 319 L HA 0.202 4.541 4.340 -0.000 0.000 0.267 319 L C 0.919 177.926 176.870 0.228 0.000 1.188 319 L CA 0.514 55.446 54.840 0.153 0.000 0.821 319 L CB 0.507 42.632 42.059 0.110 0.000 1.102 319 L HN 0.012 nan 8.230 nan 0.000 0.470 320 K N 1.724 122.227 120.400 0.172 0.000 2.508 320 K HA 0.443 4.763 4.320 -0.000 0.000 0.260 320 K C -1.399 175.106 176.600 -0.158 0.000 0.949 320 K CA -0.988 55.264 56.287 -0.059 0.000 0.834 320 K CB 2.762 35.221 32.500 -0.069 0.000 1.365 320 K HN 0.454 nan 8.250 nan 0.000 0.437 321 K N 1.162 121.293 120.400 -0.449 0.000 2.259 321 K HA 0.378 4.697 4.320 -0.000 0.000 0.252 321 K C -0.866 175.567 176.600 -0.278 0.000 0.936 321 K CA -1.064 55.002 56.287 -0.369 0.000 0.810 321 K CB 2.238 34.383 32.500 -0.592 0.000 1.143 321 K HN 0.295 nan 8.250 nan 0.000 0.427 322 K N 2.295 122.567 120.400 -0.213 0.000 2.416 322 K HA 0.101 4.421 4.320 -0.000 0.000 0.283 322 K C -0.788 175.702 176.600 -0.184 0.000 1.037 322 K CA -0.340 55.829 56.287 -0.197 0.000 0.995 322 K CB 0.470 32.869 32.500 -0.167 0.000 0.938 322 K HN 0.537 nan 8.250 nan 0.000 0.475 323 V N 2.010 121.812 119.914 -0.187 0.000 3.102 323 V HA 0.510 4.630 4.120 -0.000 0.000 0.312 323 V C -0.540 175.446 176.094 -0.181 0.000 1.135 323 V CA -1.090 61.074 62.300 -0.227 0.000 1.022 323 V CB 1.998 33.611 31.823 -0.351 0.000 1.056 323 V HN 0.939 nan 8.190 nan 0.000 0.436 324 T N -1.713 112.721 114.554 -0.200 0.000 2.879 324 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 324 T C -1.037 173.589 174.700 -0.124 0.000 0.993 324 T CA -0.478 61.574 62.100 -0.081 0.000 0.975 324 T CB 1.044 69.891 68.868 -0.035 0.000 0.981 324 T HN 0.532 nan 8.240 nan 0.000 0.439 325 W N 1.387 122.666 121.300 -0.036 0.000 2.089 325 W HA 0.442 5.102 4.660 0.000 0.000 0.362 325 W C 1.888 178.393 176.519 -0.024 0.000 1.362 325 W CA -0.634 56.693 57.345 -0.030 0.000 1.460 325 W CB 0.436 29.879 29.460 -0.029 0.000 1.204 325 W HN 0.818 nan 8.180 nan 0.000 0.657 326 E N 0.465 120.821 120.200 0.262 0.000 2.049 326 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 326 E C 1.494 178.155 176.600 0.101 0.000 1.007 326 E CA 1.735 58.216 56.400 0.135 0.000 0.809 326 E CB -0.259 29.513 29.700 0.119 0.000 0.749 326 E HN 0.478 nan 8.360 nan 0.000 0.450 327 D N -0.715 119.748 120.400 0.104 0.000 2.358 327 D HA -0.039 4.600 4.640 -0.000 0.000 0.241 327 D C 1.177 177.512 176.300 0.059 0.000 1.094 327 D CA 0.904 54.938 54.000 0.057 0.000 0.907 327 D CB 0.098 40.910 40.800 0.020 0.000 0.893 327 D HN 0.331 nan 8.370 nan 0.000 0.528 328 G N 0.661 109.513 108.800 0.087 0.000 2.199 328 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 328 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 328 G C 0.282 175.233 174.900 0.084 0.000 0.982 328 G CA 0.221 45.363 45.100 0.070 0.000 0.632 328 G HN 0.649 nan 8.290 nan 0.000 0.529 329 K N 1.275 121.744 120.400 0.116 0.000 2.447 329 K HA 0.428 4.748 4.320 -0.000 0.000 0.281 329 K C 0.181 176.902 176.600 0.202 0.000 1.031 329 K CA 0.513 56.876 56.287 0.126 0.000 1.019 329 K CB 0.225 32.773 32.500 0.080 0.000 0.918 329 K HN 0.107 nan 8.250 nan 0.000 0.476 330 S N 3.242 119.013 115.700 0.119 0.000 2.489 330 S HA 0.273 4.742 4.470 -0.000 0.000 0.291 330 S C -1.301 173.350 174.600 0.085 0.000 1.151 330 S CA -0.779 57.469 58.200 0.081 0.000 1.082 330 S CB 0.706 63.920 63.200 0.023 0.000 1.019 330 S HN 0.755 nan 8.310 nan 0.000 0.492 331 E N 2.823 123.061 120.200 0.063 0.000 2.449 331 E HA 0.484 4.834 4.350 -0.000 0.000 0.278 331 E C -1.370 175.194 176.600 -0.061 0.000 0.992 331 E CA -1.199 55.221 56.400 0.033 0.000 0.807 331 E CB 1.269 31.041 29.700 0.119 0.000 1.350 331 E HN 0.386 nan 8.360 nan 0.000 0.462 332 R N 0.916 121.365 120.500 -0.085 0.000 2.265 332 R HA 0.483 4.823 4.340 -0.000 0.000 0.328 332 R C -1.034 175.200 176.300 -0.110 0.000 0.969 332 R CA -0.622 55.387 56.100 -0.152 0.000 0.832 332 R CB 1.826 31.995 30.300 -0.219 0.000 1.139 332 R HN 0.318 nan 8.270 nan 0.000 0.457 333 V N 5.130 124.947 119.914 -0.161 0.000 2.513 333 V HA 0.322 4.441 4.120 -0.000 0.000 0.299 333 V C 0.306 176.280 176.094 -0.200 0.000 1.035 333 V CA -0.980 61.233 62.300 -0.144 0.000 0.889 333 V CB 1.937 33.665 31.823 -0.160 0.000 0.988 333 V HN 0.635 nan 8.190 nan 0.000 0.440 334 L N 3.501 124.655 121.223 -0.115 0.000 2.490 334 L HA 0.111 4.450 4.340 -0.000 0.000 0.274 334 L C 0.873 177.685 176.870 -0.096 0.000 1.201 334 L CA 0.213 55.010 54.840 -0.072 0.000 0.869 334 L CB 0.143 42.193 42.059 -0.016 0.000 1.123 334 L HN 0.670 nan 8.230 nan 0.000 0.484 335 Y N 0.716 120.999 120.300 -0.028 0.000 2.352 335 Y HA -0.108 4.442 4.550 -0.000 0.000 0.292 335 Y C 1.505 177.394 175.900 -0.019 0.000 1.136 335 Y CA 0.939 59.023 58.100 -0.027 0.000 1.227 335 Y CB 0.034 38.484 38.460 -0.017 0.000 0.991 335 Y HN 0.719 nan 8.280 nan 0.000 0.545 336 T N -4.182 110.455 114.554 0.139 0.000 2.812 336 T HA 0.491 4.840 4.350 -0.000 0.000 0.294 336 T C -2.974 171.751 174.700 0.043 0.000 1.159 336 T CA -2.360 59.787 62.100 0.078 0.000 1.008 336 T CB 1.743 70.657 68.868 0.077 0.000 1.289 336 T HN -0.418 nan 8.240 nan 0.000 0.514 337 P HA 0.210 nan 4.420 nan 0.000 0.267 337 P C -0.208 177.098 177.300 0.012 0.000 1.200 337 P CA -0.173 62.936 63.100 0.013 0.000 0.772 337 P CB 0.197 31.902 31.700 0.008 0.000 0.855 338 E N 1.676 121.879 120.200 0.004 0.000 2.413 338 E HA 0.104 4.453 4.350 -0.000 0.000 0.263 338 E C -0.650 175.948 176.600 -0.004 0.000 1.015 338 E CA -0.096 56.303 56.400 -0.001 0.000 0.916 338 E CB 0.101 29.797 29.700 -0.007 0.000 0.947 338 E HN 0.284 nan 8.360 nan 0.000 0.440 339 I N 3.617 124.182 120.570 -0.007 0.000 2.354 339 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 339 I C 0.151 176.256 176.117 -0.020 0.000 0.989 339 I CA -0.765 60.529 61.300 -0.010 0.000 1.188 339 I CB 1.667 39.663 38.000 -0.006 0.000 1.342 339 I HN 0.567 nan 8.210 nan 0.000 0.457 340 A N 5.864 128.672 122.820 -0.019 0.000 2.425 340 A HA 0.237 4.556 4.320 -0.000 0.000 0.249 340 A C 0.139 177.704 177.584 -0.031 0.000 1.084 340 A CA -0.306 51.716 52.037 -0.025 0.000 0.781 340 A CB 0.103 19.093 19.000 -0.017 0.000 1.019 340 A HN 0.737 nan 8.150 nan 0.000 0.490 341 E N 1.908 122.079 120.200 -0.048 0.000 2.290 341 E HA -0.000 4.349 4.350 -0.000 0.000 0.277 341 E C -0.118 176.463 176.600 -0.032 0.000 1.035 341 E CA -0.323 56.042 56.400 -0.059 0.000 0.873 341 E CB 0.615 30.248 29.700 -0.111 0.000 1.029 341 E HN 0.676 nan 8.360 nan 0.000 0.419 342 N N 2.976 121.666 118.700 -0.016 0.000 2.483 342 N HA -0.080 4.659 4.740 -0.000 0.000 0.264 342 N C 0.552 176.069 175.510 0.013 0.000 1.197 342 N CA 0.028 53.080 53.050 0.003 0.000 0.927 342 N CB 0.884 39.380 38.487 0.015 0.000 1.065 342 N HN 0.439 nan 8.380 nan 0.000 0.461 343 Q N 2.298 122.109 119.800 0.019 0.000 2.269 343 Q HA -0.120 4.219 4.340 -0.000 0.000 0.201 343 Q C 1.511 177.540 176.000 0.050 0.000 0.946 343 Q CA 0.891 56.712 55.803 0.031 0.000 0.877 343 Q CB -0.114 28.640 28.738 0.027 0.000 0.963 343 Q HN 0.747 nan 8.270 nan 0.000 0.472 344 Q N 0.001 119.829 119.800 0.047 0.000 2.124 344 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 344 Q C 1.973 178.021 176.000 0.080 0.000 0.977 344 Q CA 1.336 57.174 55.803 0.058 0.000 0.850 344 Q CB 0.066 28.834 28.738 0.050 0.000 0.901 344 Q HN 0.207 nan 8.270 nan 0.000 0.429 345 M N 0.248 119.896 119.600 0.080 0.000 2.099 345 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 345 M C 1.695 178.090 176.300 0.158 0.000 1.067 345 M CA 1.320 56.686 55.300 0.110 0.000 1.124 345 M CB -0.202 32.452 32.600 0.091 0.000 1.353 345 M HN 0.231 nan 8.290 nan 0.000 0.410 346 I N -0.436 120.211 120.570 0.127 0.000 2.264 346 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 346 I C 2.175 178.428 176.117 0.227 0.000 1.111 346 I CA 1.357 62.773 61.300 0.194 0.000 1.382 346 I CB -1.745 36.318 38.000 0.106 0.000 1.060 346 I HN 0.296 nan 8.210 nan 0.000 0.418 347 S N 0.948 116.736 115.700 0.148 0.000 2.383 347 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 347 S C 1.969 176.644 174.600 0.125 0.000 1.026 347 S CA 0.820 59.091 58.200 0.119 0.000 0.981 347 S CB -0.404 62.843 63.200 0.077 0.000 0.818 347 S HN 0.366 nan 8.310 nan 0.000 0.472 348 L N 1.373 122.685 121.223 0.148 0.000 2.056 348 L HA 0.096 4.436 4.340 -0.000 0.000 0.207 348 L C 1.747 178.778 176.870 0.268 0.000 1.078 348 L CA 1.711 56.653 54.840 0.170 0.000 0.749 348 L CB -0.311 41.841 42.059 0.156 0.000 0.901 348 L HN 0.261 nan 8.230 nan 0.000 0.433 349 L N -1.956 119.464 121.223 0.328 0.000 2.416 349 L HA 0.059 4.399 4.340 -0.000 0.000 0.216 349 L C 2.341 179.446 176.870 0.392 0.000 1.098 349 L CA 0.318 55.427 54.840 0.449 0.000 0.840 349 L CB -0.289 42.135 42.059 0.608 0.000 0.981 349 L HN 0.114 nan 8.230 nan 0.000 0.462 350 S N 0.799 116.685 115.700 0.309 0.000 2.359 350 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 350 S C -0.499 174.057 174.600 -0.074 0.000 1.035 350 S CA 1.623 59.886 58.200 0.105 0.000 1.018 350 S CB -0.872 62.426 63.200 0.164 0.000 0.876 350 S HN 0.261 nan 8.310 nan 0.000 0.448 351 P HA -0.063 nan 4.420 nan 0.000 0.215 351 P C 0.898 178.004 177.300 -0.323 0.000 1.153 351 P CA 1.029 63.971 63.100 -0.262 0.000 0.853 351 P CB -0.092 31.375 31.700 -0.388 0.000 0.788 352 F N -0.510 119.347 119.950 -0.155 0.000 2.102 352 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 352 F C 2.691 178.407 175.800 -0.140 0.000 1.105 352 F CA 1.395 59.273 58.000 -0.203 0.000 1.239 352 F CB -1.343 37.419 39.000 -0.396 0.000 0.991 352 F HN -0.100 nan 8.300 nan 0.000 0.474 353 Q N 0.810 120.623 119.800 0.021 0.000 2.084 353 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 353 Q C 1.862 177.717 176.000 -0.240 0.000 0.978 353 Q CA 1.921 57.600 55.803 -0.207 0.000 0.844 353 Q CB -0.409 27.736 28.738 -0.988 0.000 0.898 353 Q HN 0.224 nan 8.270 nan 0.000 0.426 354 N N 0.213 118.777 118.700 -0.227 0.000 2.135 354 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 354 N C 1.431 176.869 175.510 -0.120 0.000 1.027 354 N CA 1.461 54.409 53.050 -0.170 0.000 0.849 354 N CB -0.415 37.988 38.487 -0.140 0.000 1.002 354 N HN 0.392 nan 8.380 nan 0.000 0.425 355 K N 0.688 121.017 120.400 -0.117 0.000 2.020 355 K HA -0.143 4.177 4.320 -0.000 0.000 0.212 355 K C 2.029 178.588 176.600 -0.068 0.000 1.050 355 K CA 1.914 58.144 56.287 -0.095 0.000 0.929 355 K CB -0.595 31.833 32.500 -0.119 0.000 0.714 355 K HN 0.142 nan 8.250 nan 0.000 0.443 356 G N 1.286 110.057 108.800 -0.048 0.000 2.459 356 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 356 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 356 G C 1.523 176.391 174.900 -0.054 0.000 1.183 356 G CA 1.212 46.293 45.100 -0.031 0.000 0.776 356 G HN 0.460 nan 8.290 nan 0.000 0.552 357 K N 0.602 120.955 120.400 -0.078 0.000 2.057 357 K HA 0.057 4.377 4.320 -0.000 0.000 0.207 357 K C 2.724 179.291 176.600 -0.055 0.000 1.049 357 K CA 1.458 57.696 56.287 -0.081 0.000 0.931 357 K CB -0.359 32.071 32.500 -0.117 0.000 0.714 357 K HN 0.206 nan 8.250 nan 0.000 0.440 358 A N 0.823 123.609 122.820 -0.056 0.000 1.930 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 358 A C 2.048 179.617 177.584 -0.025 0.000 1.175 358 A CA 1.393 53.407 52.037 -0.038 0.000 0.627 358 A CB -0.490 18.484 19.000 -0.044 0.000 0.815 358 A HN 0.483 nan 8.150 nan 0.000 0.443 359 Q N -0.790 118.985 119.800 -0.041 0.000 2.124 359 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 359 Q C 1.669 177.649 176.000 -0.034 0.000 0.977 359 Q CA 1.172 56.944 55.803 -0.053 0.000 0.850 359 Q CB -0.161 28.522 28.738 -0.092 0.000 0.901 359 Q HN 0.679 nan 8.270 nan 0.000 0.429 360 L N -0.204 121.009 121.223 -0.017 0.000 2.558 360 L HA -0.005 4.335 4.340 -0.000 0.000 0.225 360 L C 1.418 178.365 176.870 0.129 0.000 1.128 360 L CA 0.254 55.125 54.840 0.051 0.000 0.868 360 L CB 0.140 42.205 42.059 0.010 0.000 1.006 360 L HN 0.119 nan 8.230 nan 0.000 0.454 361 E N -0.039 120.203 120.200 0.071 0.000 2.435 361 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 361 E C 0.714 177.360 176.600 0.077 0.000 1.029 361 E CA -0.062 56.372 56.400 0.056 0.000 0.865 361 E CB 0.387 30.097 29.700 0.016 0.000 0.833 361 E HN 0.302 nan 8.360 nan 0.000 0.510 362 V N 0.664 120.662 119.914 0.138 0.000 2.763 362 V HA 0.035 4.155 4.120 -0.000 0.000 0.306 362 V C 0.129 176.259 176.094 0.060 0.000 1.059 362 V CA -0.619 61.757 62.300 0.126 0.000 1.138 362 V CB 1.028 32.950 31.823 0.165 0.000 0.940 362 V HN 0.006 nan 8.190 nan 0.000 0.489 363 K N 4.217 124.615 120.400 -0.004 0.000 2.368 363 K HA 0.336 4.656 4.320 -0.000 0.000 0.282 363 K C 0.679 177.196 176.600 -0.138 0.000 1.035 363 K CA 0.155 56.400 56.287 -0.069 0.000 0.973 363 K CB 0.747 33.222 32.500 -0.042 0.000 0.957 363 K HN 0.909 nan 8.250 nan 0.000 0.474 364 I N 0.113 120.543 120.570 -0.233 0.000 4.323 364 I HA 0.412 4.582 4.170 -0.000 0.000 0.328 364 I C 0.559 176.577 176.117 -0.165 0.000 1.310 364 I CA -0.344 60.792 61.300 -0.273 0.000 1.186 364 I CB 0.942 38.654 38.000 -0.479 0.000 1.130 364 I HN 0.689 nan 8.210 nan 0.000 0.411 365 G N 1.618 110.342 108.800 -0.126 0.000 2.428 365 G HA2 0.496 4.456 3.960 -0.000 0.000 0.305 365 G HA3 0.496 4.456 3.960 -0.000 0.000 0.305 365 G C -1.957 172.904 174.900 -0.065 0.000 1.260 365 G CA -0.239 44.809 45.100 -0.087 0.000 0.853 365 G HN 0.432 nan 8.290 nan 0.000 0.480 366 E N -1.842 118.329 120.200 -0.047 0.000 2.433 366 E HA 0.678 5.027 4.350 -0.000 0.000 0.278 366 E C -1.497 175.093 176.600 -0.017 0.000 0.976 366 E CA -0.905 55.477 56.400 -0.031 0.000 0.793 366 E CB 2.325 32.012 29.700 -0.022 0.000 1.311 366 E HN 0.603 nan 8.360 nan 0.000 0.460 367 T N 0.045 114.595 114.554 -0.007 0.000 2.909 367 T HA 0.249 4.599 4.350 -0.000 0.000 0.299 367 T C -0.386 174.325 174.700 0.018 0.000 1.073 367 T CA -0.596 61.511 62.100 0.012 0.000 0.999 367 T CB 1.082 69.953 68.868 0.006 0.000 1.098 367 T HN 0.615 nan 8.240 nan 0.000 0.477 368 N N 2.049 120.769 118.700 0.033 0.000 2.322 368 N HA 0.323 5.063 4.740 -0.000 0.000 0.194 368 N C 0.392 175.921 175.510 0.032 0.000 1.126 368 N CA -0.094 52.973 53.050 0.029 0.000 0.845 368 N CB 0.461 38.967 38.487 0.032 0.000 0.976 368 N HN 0.815 nan 8.380 nan 0.000 0.475 369 G N -0.596 108.225 108.800 0.035 0.000 2.601 369 G HA2 0.375 4.334 3.960 -0.000 0.000 0.291 369 G HA3 0.375 4.334 3.960 -0.000 0.000 0.291 369 G C -1.708 173.211 174.900 0.031 0.000 1.456 369 G CA -1.150 43.971 45.100 0.036 0.000 0.804 369 G HN 0.258 nan 8.290 nan 0.000 0.499 370 R N 0.057 120.574 120.500 0.028 0.000 2.489 370 R HA 0.375 4.715 4.340 -0.000 0.000 0.287 370 R C -0.405 175.912 176.300 0.029 0.000 1.053 370 R CA -0.151 55.963 56.100 0.023 0.000 1.036 370 R CB 0.180 30.493 30.300 0.022 0.000 0.966 370 R HN 0.340 nan 8.270 nan 0.000 0.432 371 L N 4.149 125.383 121.223 0.017 0.000 2.255 371 L HA 0.229 4.569 4.340 -0.000 0.000 0.289 371 L C -0.156 176.727 176.870 0.022 0.000 1.046 371 L CA -0.520 54.330 54.840 0.016 0.000 0.816 371 L CB 1.433 43.484 42.059 -0.015 0.000 1.197 371 L HN 0.611 nan 8.230 nan 0.000 0.427 372 E N 2.340 122.564 120.200 0.039 0.000 2.129 372 E HA 0.266 4.616 4.350 -0.000 0.000 0.283 372 E C 0.718 177.348 176.600 0.050 0.000 1.080 372 E CA 0.044 56.471 56.400 0.044 0.000 0.867 372 E CB 1.038 30.771 29.700 0.055 0.000 1.056 372 E HN 0.599 nan 8.360 nan 0.000 0.404 373 G N 3.815 112.640 108.800 0.042 0.000 3.735 373 G HA2 0.055 4.014 3.960 -0.000 0.000 0.283 373 G HA3 0.055 4.014 3.960 -0.000 0.000 0.283 373 G C -0.415 174.518 174.900 0.056 0.000 1.007 373 G CA -0.499 44.631 45.100 0.049 0.000 0.821 373 G HN 0.436 nan 8.290 nan 0.000 0.505 374 D N 0.414 120.847 120.400 0.055 0.000 2.399 374 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 374 D C 1.554 177.904 176.300 0.083 0.000 1.133 374 D CA -0.212 53.822 54.000 0.057 0.000 0.890 374 D CB 1.217 42.040 40.800 0.038 0.000 1.201 374 D HN 0.022 nan 8.370 nan 0.000 0.432 375 R N 1.101 121.658 120.500 0.094 0.000 2.083 375 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 375 R C 1.348 177.764 176.300 0.194 0.000 1.137 375 R CA 1.416 57.598 56.100 0.137 0.000 0.951 375 R CB -0.139 30.239 30.300 0.131 0.000 0.851 375 R HN 0.588 nan 8.270 nan 0.000 0.434 376 D N 0.365 120.829 120.400 0.108 0.000 2.378 376 D HA -0.143 4.497 4.640 -0.000 0.000 0.222 376 D C 1.118 177.379 176.300 -0.064 0.000 0.980 376 D CA 0.970 54.956 54.000 -0.024 0.000 0.907 376 D CB 0.115 40.810 40.800 -0.176 0.000 0.899 376 D HN 0.122 nan 8.370 nan 0.000 0.527 377 K N 0.445 120.891 120.400 0.076 0.000 2.273 377 K HA 0.050 4.369 4.320 -0.000 0.000 0.206 377 K C 2.379 179.088 176.600 0.182 0.000 1.072 377 K CA 0.943 57.286 56.287 0.093 0.000 0.953 377 K CB -0.409 32.125 32.500 0.057 0.000 1.043 377 K HN 0.202 nan 8.250 nan 0.000 0.477 378 V N 0.101 120.122 119.914 0.179 0.000 2.970 378 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 378 V C 1.477 177.717 176.094 0.242 0.000 1.100 378 V CA 1.100 63.523 62.300 0.205 0.000 1.122 378 V CB -0.718 31.203 31.823 0.165 0.000 0.721 378 V HN 0.138 nan 8.190 nan 0.000 0.483 379 R N -1.450 119.159 120.500 0.182 0.000 2.356 379 R HA 0.384 4.724 4.340 -0.000 0.000 0.234 379 R C 0.873 176.784 176.300 -0.649 0.000 0.929 379 R CA 0.417 56.494 56.100 -0.039 0.000 1.084 379 R CB 0.008 30.271 30.300 -0.062 0.000 1.105 379 R HN 0.583 nan 8.270 nan 0.000 0.515 380 F N -0.950 118.645 119.950 -0.591 0.000 2.671 380 F HA 0.128 4.655 4.527 -0.000 0.000 0.303 380 F C 0.630 176.000 175.800 -0.718 0.000 0.935 380 F CA -0.463 57.105 58.000 -0.721 0.000 1.136 380 F CB 0.754 39.571 39.000 -0.305 0.000 0.929 380 F HN -0.258 nan 8.300 nan 0.000 0.659 381 V N -2.328 117.541 119.914 -0.075 0.000 3.160 381 V HA 0.542 4.662 4.120 -0.000 0.000 0.310 381 V C -0.864 175.474 176.094 0.406 0.000 1.181 381 V CA -1.205 61.224 62.300 0.214 0.000 1.047 381 V CB 1.440 33.364 31.823 0.169 0.000 1.068 381 V HN -0.123 nan 8.190 nan 0.000 0.441 382 Q N 2.315 122.365 119.800 0.417 0.000 2.289 382 Q HA 0.409 4.749 4.340 -0.000 0.000 0.273 382 Q C 0.345 176.484 176.000 0.230 0.000 1.029 382 Q CA 0.477 56.481 55.803 0.335 0.000 0.896 382 Q CB 0.983 29.901 28.738 0.299 0.000 1.182 382 Q HN 1.131 nan 8.270 nan 0.000 0.385 383 T N -1.399 113.276 114.554 0.201 0.000 2.940 383 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 383 T C 1.022 175.804 174.700 0.138 0.000 1.045 383 T CA -0.759 61.431 62.100 0.151 0.000 1.018 383 T CB 0.820 69.766 68.868 0.130 0.000 1.151 383 T HN 0.485 nan 8.240 nan 0.000 0.529 384 N N 0.735 119.508 118.700 0.122 0.000 2.396 384 N HA -0.091 4.648 4.740 -0.000 0.000 0.180 384 N C 1.497 177.054 175.510 0.079 0.000 1.028 384 N CA 0.902 54.032 53.050 0.134 0.000 0.893 384 N CB -0.749 37.825 38.487 0.145 0.000 0.967 384 N HN 0.561 nan 8.380 nan 0.000 0.440 385 M N 0.866 120.499 119.600 0.055 0.000 2.156 385 M HA 0.214 4.694 4.480 -0.000 0.000 0.264 385 M C 1.915 178.229 176.300 0.023 0.000 1.067 385 M CA 1.383 56.691 55.300 0.014 0.000 1.131 385 M CB -0.913 31.701 32.600 0.023 0.000 1.368 385 M HN 0.195 nan 8.290 nan 0.000 0.416 386 G N 0.203 109.044 108.800 0.068 0.000 2.446 386 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 386 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 386 G C 1.656 176.600 174.900 0.073 0.000 1.168 386 G CA 0.628 45.773 45.100 0.076 0.000 0.771 386 G HN 0.349 nan 8.290 nan 0.000 0.551 387 R N -0.238 120.328 120.500 0.110 0.000 2.096 387 R HA 0.032 4.372 4.340 -0.000 0.000 0.235 387 R C 2.475 178.842 176.300 0.112 0.000 1.127 387 R CA 0.786 56.980 56.100 0.157 0.000 0.968 387 R CB -1.165 29.285 30.300 0.250 0.000 0.861 387 R HN 0.449 nan 8.270 nan 0.000 0.440 388 L N 1.001 122.191 121.223 -0.055 0.000 1.994 388 L HA -0.081 4.258 4.340 -0.000 0.000 0.208 388 L C 2.179 178.925 176.870 -0.207 0.000 1.071 388 L CA 1.554 56.210 54.840 -0.307 0.000 0.745 388 L CB -0.517 41.283 42.059 -0.432 0.000 0.892 388 L HN 0.028 nan 8.230 nan 0.000 0.431 389 I N -0.764 119.737 120.570 -0.116 0.000 2.151 389 I HA -0.361 3.809 4.170 -0.000 0.000 0.243 389 I C 2.380 178.434 176.117 -0.105 0.000 1.080 389 I CA 1.697 62.941 61.300 -0.094 0.000 1.339 389 I CB -0.396 37.583 38.000 -0.035 0.000 1.039 389 I HN 0.280 nan 8.210 nan 0.000 0.409 390 L N 0.206 121.399 121.223 -0.050 0.000 2.141 390 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 390 L C 2.819 179.642 176.870 -0.079 0.000 1.094 390 L CA 0.991 55.815 54.840 -0.027 0.000 0.763 390 L CB -0.750 41.336 42.059 0.044 0.000 0.908 390 L HN 0.240 nan 8.230 nan 0.000 0.437 391 A N 0.398 123.147 122.820 -0.119 0.000 1.902 391 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 391 A C 2.575 179.814 177.584 -0.574 0.000 1.181 391 A CA 1.777 53.686 52.037 -0.212 0.000 0.623 391 A CB -0.650 18.334 19.000 -0.027 0.000 0.818 391 A HN 0.388 nan 8.150 nan 0.000 0.443 392 A N -0.717 121.615 122.820 -0.813 0.000 1.902 392 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 392 A C 2.130 179.543 177.584 -0.286 0.000 1.181 392 A CA 1.695 53.263 52.037 -0.781 0.000 0.623 392 A CB -0.573 18.156 19.000 -0.452 0.000 0.818 392 A HN 0.663 nan 8.150 nan 0.000 0.443 393 Q N -1.044 118.651 119.800 -0.175 0.000 2.119 393 Q HA -0.061 4.278 4.340 -0.000 0.000 0.201 393 Q C 2.186 178.156 176.000 -0.051 0.000 0.972 393 Q CA 1.496 57.260 55.803 -0.064 0.000 0.847 393 Q CB -0.247 28.479 28.738 -0.019 0.000 0.903 393 Q HN 0.707 nan 8.270 nan 0.000 0.433 394 M N 0.213 119.771 119.600 -0.069 0.000 2.175 394 M HA -0.160 4.319 4.480 -0.000 0.000 0.264 394 M C 1.632 177.908 176.300 -0.040 0.000 1.063 394 M CA 1.452 56.726 55.300 -0.043 0.000 1.119 394 M CB -0.245 32.348 32.600 -0.012 0.000 1.377 394 M HN 0.184 nan 8.290 nan 0.000 0.415 395 D N 0.275 120.648 120.400 -0.045 0.000 2.144 395 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 395 D C 2.037 178.334 176.300 -0.005 0.000 0.978 395 D CA 1.165 55.173 54.000 0.014 0.000 0.833 395 D CB 0.142 41.008 40.800 0.110 0.000 0.961 395 D HN 0.028 nan 8.370 nan 0.000 0.470 396 R N -0.276 120.204 120.500 -0.035 0.000 2.090 396 R HA -0.026 4.314 4.340 -0.000 0.000 0.228 396 R C 2.001 178.287 176.300 -0.024 0.000 1.110 396 R CA 2.149 58.210 56.100 -0.066 0.000 0.973 396 R CB -0.877 29.345 30.300 -0.130 0.000 0.869 396 R HN 0.331 nan 8.270 nan 0.000 0.440 397 T N -3.945 110.593 114.554 -0.027 0.000 3.060 397 T HA 0.245 4.595 4.350 -0.000 0.000 0.249 397 T C 1.277 175.818 174.700 -0.265 0.000 1.079 397 T CA 0.268 62.306 62.100 -0.104 0.000 1.013 397 T CB 0.232 69.054 68.868 -0.077 0.000 0.975 397 T HN 0.367 nan 8.240 nan 0.000 0.518 398 G N 1.550 110.262 108.800 -0.147 0.000 2.160 398 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.251 398 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.251 398 G C 0.286 175.108 174.900 -0.130 0.000 1.008 398 G CA -0.044 44.977 45.100 -0.131 0.000 0.724 398 G HN 1.161 nan 8.290 nan 0.000 0.514 399 A N -0.421 122.328 122.820 -0.120 0.000 2.386 399 A HA 0.570 4.890 4.320 -0.000 0.000 0.248 399 A C 1.220 178.826 177.584 0.037 0.000 1.082 399 A CA 0.636 52.630 52.037 -0.071 0.000 0.789 399 A CB 0.407 19.358 19.000 -0.081 0.000 1.025 399 A HN 0.219 nan 8.150 nan 0.000 0.490 400 D N -0.288 120.197 120.400 0.141 0.000 2.240 400 D HA 0.153 4.792 4.640 -0.000 0.000 0.206 400 D C 0.170 176.692 176.300 0.371 0.000 0.963 400 D CA 1.479 55.638 54.000 0.265 0.000 0.863 400 D CB 0.058 41.102 40.800 0.406 0.000 0.973 400 D HN 0.560 nan 8.370 nan 0.000 0.501 401 F N -0.458 119.551 119.950 0.099 0.000 2.789 401 F HA 0.734 5.261 4.527 -0.000 0.000 0.319 401 F C -1.720 174.156 175.800 0.125 0.000 1.168 401 F CA -1.681 56.383 58.000 0.106 0.000 0.934 401 F CB 1.283 40.345 39.000 0.104 0.000 1.375 401 F HN -0.142 nan 8.300 nan 0.000 0.480 402 A N 0.586 123.449 122.820 0.073 0.000 2.608 402 A HA 0.793 5.112 4.320 -0.000 0.000 0.292 402 A C -2.282 175.410 177.584 0.181 0.000 1.066 402 A CA -0.428 51.604 52.037 -0.008 0.000 0.676 402 A CB 1.473 20.485 19.000 0.020 0.000 1.277 402 A HN 1.911 nan 8.150 nan 0.000 0.413 403 V N 2.147 122.140 119.914 0.131 0.000 3.048 403 V HA 0.881 5.001 4.120 -0.000 0.000 0.303 403 V C -1.052 175.108 176.094 0.110 0.000 1.214 403 V CA -0.103 62.280 62.300 0.139 0.000 0.984 403 V CB 2.105 34.083 31.823 0.258 0.000 1.054 403 V HN 1.638 nan 8.190 nan 0.000 0.430 404 M N 2.870 122.504 119.600 0.056 0.000 2.644 404 M HA 0.672 5.152 4.480 -0.000 0.000 0.273 404 M C -0.988 175.333 176.300 0.035 0.000 1.253 404 M CA -0.572 54.757 55.300 0.048 0.000 0.852 404 M CB 2.073 34.702 32.600 0.048 0.000 1.708 404 M HN 0.353 nan 8.290 nan 0.000 0.471 405 S N 0.990 116.693 115.700 0.004 0.000 2.531 405 S HA 0.311 4.781 4.470 -0.000 0.000 0.279 405 S C 1.240 175.894 174.600 0.090 0.000 1.305 405 S CA 0.122 58.361 58.200 0.065 0.000 1.058 405 S CB 1.139 64.379 63.200 0.066 0.000 0.899 405 S HN 0.909 nan 8.310 nan 0.000 0.493 406 G N 2.645 111.527 108.800 0.136 0.000 2.448 406 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 406 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 406 G C 1.315 176.295 174.900 0.133 0.000 1.127 406 G CA 0.574 45.774 45.100 0.167 0.000 0.766 406 G HN 0.791 nan 8.290 nan 0.000 0.552 407 G N 0.323 109.195 108.800 0.121 0.000 2.625 407 G HA2 0.190 4.150 3.960 -0.000 0.000 0.214 407 G HA3 0.190 4.150 3.960 -0.000 0.000 0.214 407 G C 1.446 176.391 174.900 0.076 0.000 1.132 407 G CA 0.943 46.101 45.100 0.098 0.000 0.782 407 G HN 0.532 nan 8.290 nan 0.000 0.538 408 G N 0.031 108.864 108.800 0.056 0.000 2.985 408 G HA2 0.255 4.214 3.960 -0.000 0.000 0.209 408 G HA3 0.255 4.214 3.960 -0.000 0.000 0.209 408 G C 0.424 175.350 174.900 0.044 0.000 1.165 408 G CA -0.323 44.804 45.100 0.046 0.000 0.776 408 G HN 0.391 nan 8.290 nan 0.000 0.541 409 I N 0.916 121.517 120.570 0.051 0.000 2.312 409 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 409 I C 0.839 176.974 176.117 0.029 0.000 1.008 409 I CA -0.650 60.669 61.300 0.032 0.000 1.226 409 I CB 1.749 39.781 38.000 0.052 0.000 1.371 409 I HN -0.077 nan 8.210 nan 0.000 0.468 410 R N 2.992 123.482 120.500 -0.018 0.000 2.365 410 R HA 0.307 4.647 4.340 -0.000 0.000 0.223 410 R C -0.280 176.009 176.300 -0.019 0.000 0.899 410 R CA 0.141 56.222 56.100 -0.031 0.000 1.059 410 R CB 0.400 30.606 30.300 -0.157 0.000 1.086 410 R HN 0.625 nan 8.270 nan 0.000 0.522 411 D N -1.220 119.171 120.400 -0.014 0.000 2.725 411 D HA 0.199 4.839 4.640 -0.000 0.000 0.292 411 D C -1.054 175.246 176.300 0.000 0.000 1.288 411 D CA -0.233 53.764 54.000 -0.005 0.000 0.784 411 D CB 1.892 42.677 40.800 -0.025 0.000 1.308 411 D HN -0.247 nan 8.370 nan 0.000 0.429 412 S N -0.227 115.476 115.700 0.004 0.000 2.713 412 S HA 0.723 5.193 4.470 -0.000 0.000 0.283 412 S C -0.112 174.484 174.600 -0.007 0.000 1.161 412 S CA -0.512 57.691 58.200 0.005 0.000 0.999 412 S CB 0.940 64.148 63.200 0.013 0.000 1.039 412 S HN 0.259 nan 8.310 nan 0.000 0.548 413 I N 2.013 122.579 120.570 -0.007 0.000 2.468 413 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 413 I C -0.327 175.787 176.117 -0.006 0.000 1.039 413 I CA -0.595 60.696 61.300 -0.014 0.000 1.074 413 I CB 1.600 39.586 38.000 -0.024 0.000 1.228 413 I HN 0.498 nan 8.210 nan 0.000 0.436 414 E N 4.439 124.636 120.200 -0.005 0.000 2.392 414 E HA 0.322 4.672 4.350 -0.000 0.000 0.259 414 E C 0.142 176.742 176.600 -0.001 0.000 1.108 414 E CA -0.406 55.994 56.400 -0.000 0.000 0.916 414 E CB 0.887 30.587 29.700 -0.000 0.000 0.989 414 E HN 0.622 nan 8.360 nan 0.000 0.432 415 A N 1.187 124.010 122.820 0.005 0.000 2.561 415 A HA 0.411 4.731 4.320 -0.000 0.000 0.234 415 A C 0.931 178.515 177.584 0.000 0.000 1.055 415 A CA 0.995 53.036 52.037 0.006 0.000 0.756 415 A CB -0.357 18.649 19.000 0.011 0.000 0.986 415 A HN 0.793 nan 8.150 nan 0.000 0.505 416 G N 1.580 110.379 108.800 -0.002 0.000 2.341 416 G HA2 0.066 4.026 3.960 -0.000 0.000 0.196 416 G HA3 0.066 4.026 3.960 -0.000 0.000 0.196 416 G C -0.988 173.904 174.900 -0.014 0.000 1.231 416 G CA -0.108 44.988 45.100 -0.007 0.000 1.155 416 G HN 0.854 nan 8.290 nan 0.000 0.529 417 D N 0.582 120.971 120.400 -0.018 0.000 2.345 417 D HA 0.587 5.227 4.640 -0.000 0.000 0.247 417 D C 0.390 176.669 176.300 -0.035 0.000 1.108 417 D CA 0.359 54.343 54.000 -0.027 0.000 0.894 417 D CB 1.131 41.917 40.800 -0.024 0.000 1.203 417 D HN 0.513 nan 8.370 nan 0.000 0.430 418 I N 1.230 121.769 120.570 -0.052 0.000 2.406 418 I HA 0.184 4.353 4.170 -0.000 0.000 0.290 418 I C 0.512 176.571 176.117 -0.096 0.000 0.999 418 I CA -0.587 60.673 61.300 -0.066 0.000 1.124 418 I CB 1.551 39.507 38.000 -0.074 0.000 1.289 418 I HN 0.252 nan 8.210 nan 0.000 0.441 419 S N 4.056 119.708 115.700 -0.079 0.000 2.718 419 S HA 0.411 4.881 4.470 -0.000 0.000 0.300 419 S C 0.851 175.392 174.600 -0.098 0.000 1.117 419 S CA -0.523 57.629 58.200 -0.080 0.000 1.002 419 S CB 0.931 64.130 63.200 -0.001 0.000 1.092 419 S HN 0.516 nan 8.310 nan 0.000 0.542 420 Y N 0.634 120.922 120.300 -0.020 0.000 2.151 420 Y HA -0.127 4.422 4.550 -0.000 0.000 0.284 420 Y C 2.633 178.514 175.900 -0.031 0.000 1.166 420 Y CA 2.023 60.111 58.100 -0.020 0.000 1.163 420 Y CB -0.512 37.939 38.460 -0.015 0.000 0.974 420 Y HN 0.685 nan 8.280 nan 0.000 0.511 421 K N 0.833 121.305 120.400 0.120 0.000 2.057 421 K HA -0.176 4.143 4.320 -0.000 0.000 0.207 421 K C 1.424 178.022 176.600 -0.004 0.000 1.049 421 K CA 1.921 58.228 56.287 0.034 0.000 0.931 421 K CB -0.559 31.946 32.500 0.008 0.000 0.714 421 K HN 0.406 nan 8.250 nan 0.000 0.440 422 N N -0.699 117.995 118.700 -0.010 0.000 2.061 422 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 422 N C 1.541 177.031 175.510 -0.032 0.000 1.030 422 N CA 1.679 54.712 53.050 -0.028 0.000 0.856 422 N CB -0.092 38.374 38.487 -0.035 0.000 1.023 422 N HN -0.052 nan 8.380 nan 0.000 0.424 423 V N 0.506 120.407 119.914 -0.023 0.000 2.307 423 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 423 V C 2.356 178.434 176.094 -0.026 0.000 1.045 423 V CA 1.251 63.539 62.300 -0.020 0.000 1.024 423 V CB -0.529 31.291 31.823 -0.005 0.000 0.651 423 V HN 0.531 nan 8.190 nan 0.000 0.449 424 c N 0.031 118.621 118.600 -0.016 0.000 2.398 424 c HA -0.206 4.364 4.570 -0.000 0.000 0.276 424 c C 2.734 176.759 174.090 -0.110 0.000 1.222 424 c CA 1.109 57.407 56.329 -0.051 0.000 1.746 424 c CB -1.100 41.384 42.510 -0.044 0.000 2.039 424 c HN 0.532 nan 8.230 nan 0.000 0.470 425 K N 0.448 120.789 120.400 -0.098 0.000 2.147 425 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 425 K C 1.859 178.381 176.600 -0.129 0.000 1.049 425 K CA 1.197 57.413 56.287 -0.120 0.000 0.936 425 K CB -0.245 32.206 32.500 -0.081 0.000 0.722 425 K HN 0.418 nan 8.250 nan 0.000 0.446 426 V N 0.907 120.763 119.914 -0.097 0.000 2.453 426 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 426 V C 0.953 176.974 176.094 -0.120 0.000 1.048 426 V CA 1.347 63.596 62.300 -0.085 0.000 1.049 426 V CB -0.112 31.680 31.823 -0.052 0.000 0.672 426 V HN 0.311 nan 8.190 nan 0.000 0.457 427 Q N -0.126 119.595 119.800 -0.131 0.000 3.122 427 Q HA 0.251 4.591 4.340 -0.000 0.000 0.282 427 Q C -2.100 173.790 176.000 -0.183 0.000 0.947 427 Q CA -1.156 54.566 55.803 -0.134 0.000 0.812 427 Q CB 1.443 30.155 28.738 -0.043 0.000 1.333 427 Q HN 0.412 nan 8.270 nan 0.000 0.430 428 P HA 0.067 nan 4.420 nan 0.000 0.245 428 P C 0.497 177.657 177.300 -0.233 0.000 1.203 428 P CA 0.391 63.257 63.100 -0.390 0.000 0.792 428 P CB 0.228 31.562 31.700 -0.611 0.000 0.997 429 F N 0.033 119.971 119.950 -0.020 0.000 2.695 429 F HA 0.439 4.966 4.527 -0.000 0.000 0.303 429 F C 1.688 177.541 175.800 0.087 0.000 1.091 429 F CA -0.239 57.740 58.000 -0.035 0.000 1.300 429 F CB -0.859 38.111 39.000 -0.049 0.000 1.071 429 F HN 0.008 nan 8.300 nan 0.000 0.578 430 G N 1.390 110.350 108.800 0.267 0.000 2.198 430 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 430 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 430 G C 0.084 175.166 174.900 0.303 0.000 1.042 430 G CA -0.064 45.212 45.100 0.295 0.000 0.791 430 G HN 0.445 nan 8.290 nan 0.000 0.502 431 N N -1.095 117.758 118.700 0.254 0.000 2.479 431 N HA 0.391 5.131 4.740 -0.000 0.000 0.257 431 N C 0.380 175.997 175.510 0.178 0.000 1.232 431 N CA -0.218 52.963 53.050 0.218 0.000 0.920 431 N CB 1.061 39.665 38.487 0.194 0.000 1.105 431 N HN 0.089 nan 8.380 nan 0.000 0.444 432 V N 2.256 122.266 119.914 0.161 0.000 2.472 432 V HA 0.204 4.324 4.120 -0.000 0.000 0.290 432 V C 0.169 176.336 176.094 0.121 0.000 1.037 432 V CA -0.761 61.616 62.300 0.127 0.000 0.908 432 V CB 1.712 33.589 31.823 0.089 0.000 0.985 432 V HN 0.324 nan 8.190 nan 0.000 0.454 433 V N 5.877 125.868 119.914 0.129 0.000 2.530 433 V HA 0.441 4.560 4.120 -0.000 0.000 0.282 433 V C 0.201 176.342 176.094 0.080 0.000 1.048 433 V CA 0.055 62.431 62.300 0.128 0.000 0.997 433 V CB 1.290 33.215 31.823 0.170 0.000 0.987 433 V HN 0.777 nan 8.190 nan 0.000 0.477 434 V N 3.486 123.434 119.914 0.055 0.000 3.141 434 V HA 0.906 5.025 4.120 -0.000 0.000 0.312 434 V C -1.128 174.987 176.094 0.035 0.000 1.157 434 V CA -0.868 61.389 62.300 -0.071 0.000 1.041 434 V CB 2.140 33.886 31.823 -0.127 0.000 1.071 434 V HN 0.898 nan 8.190 nan 0.000 0.441 435 Y N -0.432 119.770 120.300 -0.164 0.000 2.625 435 Y HA 0.994 5.544 4.550 -0.000 0.000 0.338 435 Y C -0.667 175.180 175.900 -0.088 0.000 1.123 435 Y CA -0.988 57.047 58.100 -0.108 0.000 1.046 435 Y CB 1.457 39.869 38.460 -0.080 0.000 1.299 435 Y HN 1.282 nan 8.280 nan 0.000 0.464 436 A N 1.745 124.683 122.820 0.198 0.000 2.408 436 A HA 0.531 4.850 4.320 -0.000 0.000 0.295 436 A C -1.840 175.864 177.584 0.202 0.000 1.040 436 A CA -0.835 51.302 52.037 0.167 0.000 0.707 436 A CB 0.890 19.966 19.000 0.127 0.000 1.235 436 A HN 0.709 nan 8.150 nan 0.000 0.418 437 D N 3.116 123.647 120.400 0.219 0.000 2.312 437 D HA 0.510 5.149 4.640 -0.000 0.000 0.252 437 D C 0.240 176.628 176.300 0.146 0.000 1.150 437 D CA 0.601 54.706 54.000 0.175 0.000 0.870 437 D CB 1.072 41.964 40.800 0.153 0.000 1.153 437 D HN 0.711 nan 8.370 nan 0.000 0.457 438 M N -0.828 118.875 119.600 0.171 0.000 2.575 438 M HA 0.451 4.931 4.480 -0.000 0.000 0.284 438 M C -0.317 176.104 176.300 0.201 0.000 1.253 438 M CA -0.936 54.461 55.300 0.163 0.000 0.861 438 M CB 2.058 34.748 32.600 0.150 0.000 1.733 438 M HN 0.160 nan 8.290 nan 0.000 0.462 439 T N -0.935 113.717 114.554 0.162 0.000 2.813 439 T HA 0.389 4.739 4.350 -0.000 0.000 0.297 439 T C 1.167 176.023 174.700 0.258 0.000 1.036 439 T CA 0.011 62.217 62.100 0.176 0.000 1.044 439 T CB 0.892 69.827 68.868 0.112 0.000 0.993 439 T HN 0.911 nan 8.240 nan 0.000 0.535 440 G N 0.253 109.244 108.800 0.319 0.000 2.450 440 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.220 440 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.220 440 G C 1.420 176.388 174.900 0.114 0.000 1.130 440 G CA 0.651 45.924 45.100 0.290 0.000 0.760 440 G HN 0.783 nan 8.290 nan 0.000 0.557 441 K N 0.763 121.226 120.400 0.106 0.000 2.026 441 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 441 K C 2.345 178.990 176.600 0.076 0.000 1.048 441 K CA 1.566 57.893 56.287 0.067 0.000 0.929 441 K CB -0.266 32.268 32.500 0.057 0.000 0.713 441 K HN 0.425 nan 8.250 nan 0.000 0.439 442 E N 0.190 120.453 120.200 0.104 0.000 2.110 442 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 442 E C 2.013 178.709 176.600 0.160 0.000 0.988 442 E CA 1.085 57.560 56.400 0.124 0.000 0.804 442 E CB 0.038 29.812 29.700 0.125 0.000 0.745 442 E HN 0.066 nan 8.360 nan 0.000 0.458 443 V N 1.505 121.507 119.914 0.147 0.000 2.343 443 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 443 V C 2.213 178.357 176.094 0.082 0.000 1.051 443 V CA 1.480 63.863 62.300 0.138 0.000 1.036 443 V CB -0.362 31.420 31.823 -0.069 0.000 0.654 443 V HN 0.285 nan 8.190 nan 0.000 0.451 444 I N 0.090 120.666 120.570 0.009 0.000 2.163 444 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 444 I C 2.317 178.433 176.117 -0.001 0.000 1.085 444 I CA 1.794 63.075 61.300 -0.032 0.000 1.347 444 I CB -0.530 37.445 38.000 -0.041 0.000 1.044 444 I HN 0.337 nan 8.210 nan 0.000 0.408 445 D N -0.070 120.357 120.400 0.045 0.000 2.117 445 D HA -0.223 4.416 4.640 -0.000 0.000 0.197 445 D C 1.902 178.241 176.300 0.065 0.000 0.987 445 D CA 1.328 55.354 54.000 0.042 0.000 0.829 445 D CB -0.403 40.433 40.800 0.061 0.000 0.961 445 D HN 0.345 nan 8.370 nan 0.000 0.460 446 Y N 1.349 121.668 120.300 0.031 0.000 2.089 446 Y HA -0.137 4.413 4.550 -0.000 0.000 0.282 446 Y C 2.225 178.158 175.900 0.056 0.000 1.139 446 Y CA 1.416 59.553 58.100 0.062 0.000 1.123 446 Y CB -0.445 38.095 38.460 0.133 0.000 0.980 446 Y HN -0.114 nan 8.280 nan 0.000 0.493 447 L N -0.900 120.414 121.223 0.152 0.000 2.201 447 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 447 L C 2.265 179.050 176.870 -0.143 0.000 1.105 447 L CA 1.555 56.427 54.840 0.054 0.000 0.775 447 L CB -0.800 41.311 42.059 0.088 0.000 0.913 447 L HN 0.228 nan 8.230 nan 0.000 0.440 448 T N -0.128 114.328 114.554 -0.164 0.000 2.746 448 T HA -0.148 4.201 4.350 -0.000 0.000 0.267 448 T C 2.031 176.635 174.700 -0.161 0.000 1.039 448 T CA 1.349 63.329 62.100 -0.199 0.000 1.142 448 T CB -0.117 68.663 68.868 -0.147 0.000 0.866 448 T HN 0.461 nan 8.240 nan 0.000 0.444 449 A N 0.814 123.531 122.820 -0.172 0.000 1.872 449 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 449 A C 2.549 179.989 177.584 -0.241 0.000 1.187 449 A CA 1.090 53.014 52.037 -0.187 0.000 0.614 449 A CB -0.921 17.955 19.000 -0.207 0.000 0.826 449 A HN 0.338 nan 8.150 nan 0.000 0.442 450 V N 0.032 119.734 119.914 -0.353 0.000 2.490 450 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 450 V C 2.904 178.953 176.094 -0.075 0.000 1.061 450 V CA 1.717 63.768 62.300 -0.416 0.000 1.064 450 V CB -1.053 30.471 31.823 -0.499 0.000 0.670 450 V HN 0.591 nan 8.190 nan 0.000 0.461 451 A N -0.960 121.913 122.820 0.088 0.000 2.216 451 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 451 A C 2.027 179.823 177.584 0.354 0.000 1.160 451 A CA 1.175 53.415 52.037 0.338 0.000 0.725 451 A CB -0.379 18.600 19.000 -0.035 0.000 0.784 451 A HN 0.661 nan 8.150 nan 0.000 0.472 452 Q N -0.716 119.148 119.800 0.106 0.000 2.360 452 Q HA 0.162 4.501 4.340 -0.000 0.000 0.202 452 Q C -0.090 175.924 176.000 0.022 0.000 0.915 452 Q CA -0.222 55.624 55.803 0.072 0.000 0.943 452 Q CB 0.069 28.811 28.738 0.005 0.000 1.064 452 Q HN 0.494 nan 8.270 nan 0.000 0.511 453 M N 1.300 120.897 119.600 -0.004 0.000 2.239 453 M HA 0.122 4.602 4.480 -0.000 0.000 0.348 453 M C -0.027 176.272 176.300 -0.002 0.000 1.239 453 M CA 0.734 56.024 55.300 -0.017 0.000 1.114 453 M CB 0.248 32.820 32.600 -0.046 0.000 1.641 453 M HN -0.097 nan 8.290 nan 0.000 0.453 454 K N 3.498 123.892 120.400 -0.010 0.000 2.118 454 K HA 0.511 4.831 4.320 -0.000 0.000 0.254 454 K C -2.193 174.359 176.600 -0.080 0.000 0.961 454 K CA -1.560 54.687 56.287 -0.067 0.000 0.876 454 K CB 0.895 33.346 32.500 -0.081 0.000 1.077 454 K HN 0.367 nan 8.250 nan 0.000 0.440 455 P HA -0.091 nan 4.420 nan 0.000 0.271 455 P C -0.311 176.605 177.300 -0.639 0.000 1.233 455 P CA 0.359 63.091 63.100 -0.613 0.000 0.789 455 P CB 0.345 31.644 31.700 -0.668 0.000 0.951 456 D N -1.561 118.136 120.400 -1.173 0.000 2.981 456 D HA -0.131 4.509 4.640 -0.000 0.000 0.223 456 D C -0.741 175.363 176.300 -0.326 0.000 1.151 456 D CA 1.432 54.947 54.000 -0.809 0.000 0.827 456 D CB -1.515 39.054 40.800 -0.385 0.000 1.101 456 D HN 0.556 nan 8.370 nan 0.000 0.426 457 S N -3.182 112.364 115.700 -0.257 0.000 2.564 457 S HA 0.683 5.153 4.470 -0.000 0.000 0.274 457 S C 1.474 176.082 174.600 0.014 0.000 1.124 457 S CA -0.058 58.102 58.200 -0.068 0.000 0.869 457 S CB 1.734 64.922 63.200 -0.020 0.000 1.105 457 S HN 0.088 nan 8.310 nan 0.000 0.472 458 G N 1.047 109.886 108.800 0.064 0.000 2.462 458 G HA2 0.005 3.964 3.960 -0.000 0.000 0.220 458 G HA3 0.005 3.964 3.960 -0.000 0.000 0.220 458 G C 1.347 176.343 174.900 0.161 0.000 1.121 458 G CA 0.859 46.025 45.100 0.109 0.000 0.758 458 G HN 1.318 nan 8.290 nan 0.000 0.559 459 A N -0.474 122.453 122.820 0.177 0.000 2.119 459 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 459 A C 1.087 178.827 177.584 0.259 0.000 1.153 459 A CA -0.156 52.041 52.037 0.267 0.000 0.692 459 A CB -0.471 18.677 19.000 0.247 0.000 0.799 459 A HN 0.418 nan 8.150 nan 0.000 0.458 460 Y N 2.628 122.959 120.300 0.052 0.000 2.865 460 Y HA 0.131 4.681 4.550 -0.000 0.000 0.338 460 Y C -2.296 173.640 175.900 0.061 0.000 1.269 460 Y CA -2.076 56.021 58.100 -0.005 0.000 1.585 460 Y CB 0.305 38.701 38.460 -0.106 0.000 1.224 460 Y HN 0.168 nan 8.280 nan 0.000 0.554 461 P HA 0.062 nan 4.420 nan 0.000 0.286 461 P C -1.282 175.613 177.300 -0.674 0.000 1.269 461 P CA -0.296 62.490 63.100 -0.523 0.000 0.787 461 P CB 1.272 32.575 31.700 -0.662 0.000 0.920 462 Q N 2.783 122.378 119.800 -0.341 0.000 2.274 462 Q HA 0.402 4.741 4.340 -0.000 0.000 0.256 462 Q C -0.456 175.397 176.000 -0.245 0.000 0.927 462 Q CA -0.137 55.573 55.803 -0.154 0.000 0.939 462 Q CB 0.692 29.446 28.738 0.027 0.000 1.201 462 Q HN 0.417 nan 8.270 nan 0.000 0.426 463 F N 0.410 120.440 119.950 0.132 0.000 2.523 463 F HA 0.722 5.249 4.527 -0.000 0.000 0.329 463 F C 0.171 176.045 175.800 0.124 0.000 1.061 463 F CA -1.044 57.043 58.000 0.146 0.000 0.967 463 F CB 1.648 40.715 39.000 0.111 0.000 1.218 463 F HN 0.463 nan 8.300 nan 0.000 0.480 464 A N 1.629 124.662 122.820 0.354 0.000 2.398 464 A HA 0.635 4.954 4.320 -0.000 0.000 0.301 464 A C -0.295 177.445 177.584 0.260 0.000 1.041 464 A CA -0.727 51.457 52.037 0.245 0.000 0.711 464 A CB 0.735 19.845 19.000 0.183 0.000 1.240 464 A HN 0.824 nan 8.150 nan 0.000 0.420 465 N N -0.639 118.160 118.700 0.165 0.000 2.782 465 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 465 N C -0.541 175.001 175.510 0.054 0.000 1.101 465 N CA 1.405 54.528 53.050 0.121 0.000 0.764 465 N CB -1.408 37.187 38.487 0.180 0.000 1.122 465 N HN 0.631 nan 8.380 nan 0.000 0.561 466 V N 0.298 120.218 119.914 0.010 0.000 2.555 466 V HA 0.753 4.873 4.120 -0.000 0.000 0.302 466 V C 0.211 176.125 176.094 -0.301 0.000 1.038 466 V CA -0.561 61.647 62.300 -0.155 0.000 0.887 466 V CB 2.210 33.919 31.823 -0.190 0.000 0.991 466 V HN 0.303 nan 8.190 nan 0.000 0.434 467 S N 4.157 119.670 115.700 -0.312 0.000 2.548 467 S HA 0.994 5.463 4.470 -0.000 0.000 0.286 467 S C -0.929 173.477 174.600 -0.323 0.000 1.098 467 S CA -0.715 57.241 58.200 -0.407 0.000 0.930 467 S CB 2.336 65.394 63.200 -0.237 0.000 1.070 467 S HN 1.054 nan 8.310 nan 0.000 0.480 468 F N -1.914 117.848 119.950 -0.312 0.000 2.900 468 F HA 0.730 5.257 4.527 -0.000 0.000 0.321 468 F C -2.257 173.360 175.800 -0.305 0.000 1.160 468 F CA -1.481 56.336 58.000 -0.305 0.000 0.890 468 F CB 0.463 39.242 39.000 -0.368 0.000 1.334 468 F HN 0.416 nan 8.300 nan 0.000 0.459 469 V N 1.746 121.742 119.914 0.136 0.000 2.378 469 V HA 0.797 4.917 4.120 -0.000 0.000 0.288 469 V C -0.010 176.086 176.094 0.003 0.000 1.016 469 V CA -0.579 61.755 62.300 0.058 0.000 0.840 469 V CB 0.832 32.658 31.823 0.005 0.000 0.994 469 V HN 1.166 nan 8.190 nan 0.000 0.431 470 A N 5.323 128.098 122.820 -0.076 0.000 2.289 470 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 470 A C -0.033 177.539 177.584 -0.020 0.000 1.208 470 A CA -0.484 51.432 52.037 -0.201 0.000 0.845 470 A CB 0.442 19.204 19.000 -0.397 0.000 1.125 470 A HN 1.009 nan 8.150 nan 0.000 0.517 471 K N 1.799 122.187 120.400 -0.021 0.000 2.535 471 K HA 0.513 4.832 4.320 -0.000 0.000 0.250 471 K C -0.601 176.005 176.600 0.011 0.000 0.948 471 K CA -0.518 55.786 56.287 0.027 0.000 0.796 471 K CB 1.457 33.973 32.500 0.027 0.000 1.216 471 K HN 0.400 nan 8.250 nan 0.000 0.432 472 D N 2.477 122.897 120.400 0.034 0.000 2.907 472 D HA -0.161 4.479 4.640 -0.000 0.000 0.226 472 D C 0.657 176.962 176.300 0.007 0.000 1.141 472 D CA 1.964 55.977 54.000 0.021 0.000 0.779 472 D CB -0.917 39.888 40.800 0.008 0.000 1.095 472 D HN 1.347 nan 8.370 nan 0.000 0.430 473 G N 0.488 109.298 108.800 0.017 0.000 2.148 473 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 473 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 473 G C 0.188 175.051 174.900 -0.062 0.000 0.981 473 G CA 1.236 46.332 45.100 -0.006 0.000 0.670 473 G HN 0.729 nan 8.290 nan 0.000 0.528 474 K N -0.078 120.272 120.400 -0.083 0.000 2.375 474 K HA 0.734 5.054 4.320 -0.000 0.000 0.249 474 K C -0.190 176.296 176.600 -0.189 0.000 0.942 474 K CA -1.239 54.974 56.287 -0.123 0.000 0.806 474 K CB 1.126 33.578 32.500 -0.080 0.000 1.227 474 K HN 0.088 nan 8.250 nan 0.000 0.430 475 L N 3.888 124.960 121.223 -0.251 0.000 2.264 475 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 475 L C -0.253 176.505 176.870 -0.185 0.000 1.044 475 L CA -0.895 53.740 54.840 -0.342 0.000 0.807 475 L CB 1.050 42.797 42.059 -0.520 0.000 1.192 475 L HN 0.637 nan 8.230 nan 0.000 0.425 476 N N 2.867 121.493 118.700 -0.124 0.000 2.456 476 N HA 0.157 4.897 4.740 -0.000 0.000 0.296 476 N C -0.540 174.946 175.510 -0.039 0.000 1.102 476 N CA -0.528 52.482 53.050 -0.067 0.000 0.924 476 N CB 1.621 40.081 38.487 -0.045 0.000 1.186 476 N HN 0.530 nan 8.380 nan 0.000 0.492 477 D N 0.496 120.871 120.400 -0.041 0.000 2.697 477 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 477 D C -0.128 176.149 176.300 -0.039 0.000 1.167 477 D CA 0.414 54.391 54.000 -0.038 0.000 0.656 477 D CB -1.008 39.773 40.800 -0.033 0.000 1.025 477 D HN 0.324 nan 8.370 nan 0.000 0.419 478 L N 0.519 121.709 121.223 -0.055 0.000 2.500 478 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 478 L C 0.365 177.169 176.870 -0.109 0.000 1.149 478 L CA 0.570 55.366 54.840 -0.072 0.000 0.897 478 L CB 0.165 42.151 42.059 -0.122 0.000 1.178 478 L HN -0.014 nan 8.230 nan 0.000 0.473 479 K N 6.047 126.373 120.400 -0.124 0.000 2.318 479 K HA 0.604 4.924 4.320 -0.000 0.000 0.249 479 K C -1.253 175.223 176.600 -0.207 0.000 0.942 479 K CA -0.938 55.265 56.287 -0.140 0.000 0.808 479 K CB 2.338 34.781 32.500 -0.095 0.000 1.189 479 K HN 0.323 nan 8.250 nan 0.000 0.428 480 I N 2.608 123.044 120.570 -0.222 0.000 2.406 480 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 480 I C 0.130 176.215 176.117 -0.052 0.000 0.999 480 I CA -0.693 60.472 61.300 -0.224 0.000 1.124 480 I CB 1.060 38.816 38.000 -0.407 0.000 1.289 480 I HN 0.707 nan 8.210 nan 0.000 0.441 481 K N 4.217 124.610 120.400 -0.013 0.000 3.069 481 K HA -0.221 4.098 4.320 -0.000 0.000 0.267 481 K C 0.938 177.540 176.600 0.003 0.000 1.082 481 K CA 0.770 57.071 56.287 0.024 0.000 0.782 481 K CB -1.362 31.176 32.500 0.063 0.000 1.230 481 K HN 1.201 nan 8.250 nan 0.000 0.488 482 G N -0.639 108.146 108.800 -0.025 0.000 2.148 482 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 482 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 482 G C -0.381 174.507 174.900 -0.019 0.000 0.981 482 G CA 0.540 45.624 45.100 -0.026 0.000 0.670 482 G HN 0.281 nan 8.290 nan 0.000 0.528 483 E N 0.375 120.566 120.200 -0.014 0.000 2.222 483 E HA 0.462 4.812 4.350 -0.000 0.000 0.267 483 E C -2.553 174.038 176.600 -0.016 0.000 0.884 483 E CA -2.175 54.226 56.400 0.002 0.000 0.764 483 E CB 1.944 31.667 29.700 0.039 0.000 1.169 483 E HN 0.063 nan 8.360 nan 0.000 0.413 484 P HA -0.021 nan 4.420 nan 0.000 0.267 484 P C -0.106 177.183 177.300 -0.018 0.000 1.200 484 P CA -0.140 62.942 63.100 -0.030 0.000 0.772 484 P CB 0.464 32.155 31.700 -0.015 0.000 0.855 485 V N 3.396 123.265 119.914 -0.074 0.000 2.585 485 V HA 0.019 4.138 4.120 -0.000 0.000 0.296 485 V C 0.711 176.833 176.094 0.047 0.000 1.035 485 V CA 0.552 62.804 62.300 -0.079 0.000 1.084 485 V CB 0.284 31.976 31.823 -0.219 0.000 0.953 485 V HN 0.556 nan 8.190 nan 0.000 0.483 486 D N 7.202 127.715 120.400 0.187 0.000 2.280 486 D HA 0.302 4.942 4.640 -0.000 0.000 0.236 486 D C -1.487 174.912 176.300 0.164 0.000 1.082 486 D CA -2.140 51.945 54.000 0.141 0.000 0.834 486 D CB 2.384 43.256 40.800 0.120 0.000 1.100 486 D HN 0.224 nan 8.370 nan 0.000 0.486 487 P HA -0.084 nan 4.420 nan 0.000 0.220 487 P C 0.771 178.126 177.300 0.092 0.000 1.148 487 P CA 0.693 63.846 63.100 0.089 0.000 0.803 487 P CB 0.310 32.038 31.700 0.048 0.000 0.782 488 A N -0.667 122.194 122.820 0.068 0.000 2.132 488 A HA 0.017 4.337 4.320 -0.000 0.000 0.213 488 A C 1.387 178.980 177.584 0.016 0.000 1.154 488 A CA 0.107 52.168 52.037 0.040 0.000 0.753 488 A CB -0.639 18.374 19.000 0.021 0.000 0.826 488 A HN 0.136 nan 8.150 nan 0.000 0.469 489 K N 0.751 121.154 120.400 0.004 0.000 2.185 489 K HA 0.311 4.630 4.320 -0.000 0.000 0.271 489 K C -0.879 175.577 176.600 -0.241 0.000 1.013 489 K CA -0.120 56.069 56.287 -0.163 0.000 0.943 489 K CB 0.502 32.837 32.500 -0.274 0.000 0.998 489 K HN 0.131 nan 8.250 nan 0.000 0.468 490 T N 3.468 117.854 114.554 -0.280 0.000 2.806 490 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 490 T C -1.102 173.399 174.700 -0.332 0.000 0.966 490 T CA -0.135 61.867 62.100 -0.164 0.000 1.060 490 T CB 0.178 69.008 68.868 -0.063 0.000 0.927 490 T HN 0.357 nan 8.240 nan 0.000 0.485 491 Y N 1.074 121.449 120.300 0.125 0.000 2.446 491 Y HA 0.547 5.097 4.550 -0.000 0.000 0.345 491 Y C 0.459 176.480 175.900 0.203 0.000 0.984 491 Y CA -1.249 56.967 58.100 0.194 0.000 1.058 491 Y CB 1.679 40.307 38.460 0.280 0.000 1.220 491 Y HN 0.427 nan 8.280 nan 0.000 0.455 492 R N 3.610 124.288 120.500 0.296 0.000 2.255 492 R HA 0.526 4.865 4.340 -0.000 0.000 0.326 492 R C -1.146 175.152 176.300 -0.002 0.000 0.986 492 R CA -0.484 55.698 56.100 0.136 0.000 0.847 492 R CB 0.768 31.070 30.300 0.003 0.000 1.111 492 R HN 0.860 nan 8.270 nan 0.000 0.452 493 M N 4.008 123.495 119.600 -0.188 0.000 2.268 493 M HA 0.455 4.935 4.480 -0.000 0.000 0.344 493 M C -1.022 175.142 176.300 -0.226 0.000 1.106 493 M CA -0.474 54.470 55.300 -0.593 0.000 1.010 493 M CB 1.688 33.755 32.600 -0.888 0.000 1.649 493 M HN 0.787 nan 8.290 nan 0.000 0.443 494 A N 3.548 126.252 122.820 -0.194 0.000 2.303 494 A HA 0.808 5.127 4.320 -0.000 0.000 0.317 494 A C -0.260 177.310 177.584 -0.023 0.000 1.149 494 A CA -0.300 51.717 52.037 -0.034 0.000 0.822 494 A CB 1.447 20.444 19.000 -0.005 0.000 1.131 494 A HN 0.883 nan 8.150 nan 0.000 0.493 495 T N 0.215 114.795 114.554 0.043 0.000 2.649 495 T HA 0.460 4.809 4.350 -0.000 0.000 0.305 495 T C -1.544 173.213 174.700 0.095 0.000 1.409 495 T CA -0.521 61.623 62.100 0.073 0.000 1.021 495 T CB 0.245 69.175 68.868 0.103 0.000 1.726 495 T HN 0.440 nan 8.240 nan 0.000 0.475 496 L N 3.440 124.731 121.223 0.113 0.000 2.375 496 L HA 0.429 4.768 4.340 -0.000 0.000 0.268 496 L C 1.941 178.908 176.870 0.161 0.000 1.058 496 L CA -0.269 54.656 54.840 0.141 0.000 0.803 496 L CB 1.000 43.161 42.059 0.170 0.000 1.212 496 L HN 0.953 nan 8.230 nan 0.000 0.451 497 N N 1.623 120.426 118.700 0.173 0.000 2.094 497 N HA -0.308 4.432 4.740 -0.000 0.000 0.191 497 N C 1.636 177.248 175.510 0.170 0.000 1.023 497 N CA 1.612 54.772 53.050 0.182 0.000 0.857 497 N CB -0.888 37.700 38.487 0.168 0.000 1.013 497 N HN 0.585 nan 8.380 nan 0.000 0.426 498 F N 1.988 121.976 119.950 0.062 0.000 2.043 498 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 498 F C 1.764 177.553 175.800 -0.018 0.000 1.118 498 F CA 2.221 60.237 58.000 0.027 0.000 1.202 498 F CB -0.778 38.234 39.000 0.021 0.000 0.965 498 F HN 0.043 nan 8.300 nan 0.000 0.482 499 N N 0.294 118.925 118.700 -0.116 0.000 2.188 499 N HA -0.063 4.676 4.740 -0.000 0.000 0.184 499 N C 1.889 177.355 175.510 -0.074 0.000 1.018 499 N CA 1.292 54.167 53.050 -0.292 0.000 0.858 499 N CB -0.564 37.758 38.487 -0.274 0.000 0.989 499 N HN 0.424 nan 8.380 nan 0.000 0.426 500 A N 0.228 123.069 122.820 0.034 0.000 1.972 500 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 500 A C 1.952 179.514 177.584 -0.036 0.000 1.169 500 A CA 1.796 53.879 52.037 0.076 0.000 0.635 500 A CB -0.945 18.185 19.000 0.217 0.000 0.810 500 A HN 0.448 nan 8.150 nan 0.000 0.446 501 T N -4.539 109.972 114.554 -0.071 0.000 3.235 501 T HA 0.448 4.798 4.350 -0.000 0.000 0.251 501 T C 1.081 175.704 174.700 -0.127 0.000 1.060 501 T CA 0.904 62.940 62.100 -0.107 0.000 0.949 501 T CB 0.107 68.931 68.868 -0.073 0.000 1.020 501 T HN 1.612 nan 8.240 nan 0.000 0.564 502 G N 0.260 108.975 108.800 -0.142 0.000 2.148 502 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.203 502 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.203 502 G C 0.384 175.122 174.900 -0.269 0.000 0.993 502 G CA -0.462 44.559 45.100 -0.132 0.000 0.661 502 G HN 0.961 nan 8.290 nan 0.000 0.518 503 G N -0.215 108.216 108.800 -0.616 0.000 2.441 503 G HA2 0.472 4.431 3.960 -0.000 0.000 0.243 503 G HA3 0.472 4.431 3.960 -0.000 0.000 0.243 503 G C 0.592 175.094 174.900 -0.664 0.000 1.281 503 G CA 0.869 45.241 45.100 -1.215 0.000 0.854 503 G HN 0.689 nan 8.290 nan 0.000 0.560 504 D N 0.205 120.475 120.400 -0.217 0.000 2.983 504 D HA -0.206 4.434 4.640 -0.000 0.000 0.225 504 D C 1.649 178.059 176.300 0.183 0.000 1.174 504 D CA 2.429 56.499 54.000 0.116 0.000 0.831 504 D CB -1.246 39.688 40.800 0.223 0.000 1.104 504 D HN 1.694 nan 8.370 nan 0.000 0.421 505 G N -1.206 107.639 108.800 0.074 0.000 2.168 505 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.257 505 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.257 505 G C 0.257 175.230 174.900 0.122 0.000 0.997 505 G CA 0.443 45.586 45.100 0.072 0.000 0.708 505 G HN 0.427 nan 8.290 nan 0.000 0.520 506 Y N 0.731 120.977 120.300 -0.090 0.000 2.578 506 Y HA 0.359 4.909 4.550 -0.000 0.000 0.339 506 Y C -1.375 174.500 175.900 -0.042 0.000 1.231 506 Y CA -1.637 56.418 58.100 -0.074 0.000 1.461 506 Y CB 0.067 38.510 38.460 -0.029 0.000 1.323 506 Y HN 0.043 nan 8.280 nan 0.000 0.590 507 P HA 0.072 nan 4.420 nan 0.000 0.267 507 P C -0.454 176.971 177.300 0.207 0.000 1.205 507 P CA 0.012 63.181 63.100 0.115 0.000 0.765 507 P CB 0.419 32.185 31.700 0.109 0.000 0.828 508 R N 2.639 123.193 120.500 0.090 0.000 2.522 508 R HA 0.105 4.445 4.340 -0.000 0.000 0.284 508 R C 0.887 177.195 176.300 0.013 0.000 1.032 508 R CA 0.149 56.262 56.100 0.021 0.000 1.049 508 R CB 0.091 30.368 30.300 -0.038 0.000 0.956 508 R HN 0.557 nan 8.270 nan 0.000 0.422 509 L N 2.069 123.249 121.223 -0.072 0.000 2.701 509 L HA 0.022 4.362 4.340 -0.000 0.000 0.238 509 L C 1.432 178.043 176.870 -0.432 0.000 1.106 509 L CA 0.009 54.768 54.840 -0.135 0.000 0.898 509 L CB 0.076 42.113 42.059 -0.036 0.000 1.188 509 L HN 0.681 nan 8.230 nan 0.000 0.508 510 D N -0.323 119.684 120.400 -0.656 0.000 2.348 510 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 510 D C 0.961 176.930 176.300 -0.551 0.000 0.970 510 D CA 0.811 54.110 54.000 -1.168 0.000 0.889 510 D CB -0.264 40.064 40.800 -0.787 0.000 0.912 510 D HN 0.406 nan 8.370 nan 0.000 0.524 511 N N -0.205 118.323 118.700 -0.286 0.000 2.353 511 N HA 0.010 4.750 4.740 -0.000 0.000 0.185 511 N C 0.035 175.502 175.510 -0.071 0.000 1.098 511 N CA -0.109 52.860 53.050 -0.136 0.000 0.872 511 N CB 0.406 38.841 38.487 -0.086 0.000 0.970 511 N HN 0.089 nan 8.380 nan 0.000 0.467 512 K N 1.652 122.014 120.400 -0.064 0.000 2.326 512 K HA 0.055 4.375 4.320 -0.000 0.000 0.275 512 K C -1.507 175.123 176.600 0.051 0.000 1.018 512 K CA -1.244 55.050 56.287 0.011 0.000 0.962 512 K CB 0.733 33.253 32.500 0.033 0.000 0.953 512 K HN -0.022 nan 8.250 nan 0.000 0.475 513 P HA -0.098 nan 4.420 nan 0.000 0.223 513 P C 0.859 178.203 177.300 0.073 0.000 1.151 513 P CA 0.977 64.110 63.100 0.055 0.000 0.787 513 P CB 0.183 31.908 31.700 0.042 0.000 0.788 514 G N -1.661 107.192 108.800 0.088 0.000 3.026 514 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.208 514 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.208 514 G C 0.011 174.971 174.900 0.100 0.000 1.169 514 G CA -0.196 44.963 45.100 0.099 0.000 0.788 514 G HN 0.255 nan 8.290 nan 0.000 0.533 515 Y N 0.946 121.211 120.300 -0.059 0.000 2.319 515 Y HA 0.485 5.034 4.550 -0.000 0.000 0.328 515 Y C -0.609 175.147 175.900 -0.241 0.000 1.133 515 Y CA -0.581 57.436 58.100 -0.137 0.000 1.265 515 Y CB 1.297 39.698 38.460 -0.097 0.000 1.218 515 Y HN -0.115 nan 8.280 nan 0.000 0.508 516 V N 6.606 125.894 119.914 -1.043 0.000 2.686 516 V HA 0.213 4.333 4.120 -0.000 0.000 0.306 516 V C -0.920 174.439 176.094 -1.224 0.000 1.065 516 V CA -1.238 60.419 62.300 -1.072 0.000 0.894 516 V CB 1.810 32.896 31.823 -1.229 0.000 1.004 516 V HN 0.815 nan 8.190 nan 0.000 0.424 517 N N 2.597 120.798 118.700 -0.832 0.000 2.462 517 N HA 0.136 4.876 4.740 -0.000 0.000 0.242 517 N C 1.145 176.441 175.510 -0.358 0.000 1.010 517 N CA 0.303 53.046 53.050 -0.513 0.000 0.939 517 N CB 1.969 40.311 38.487 -0.242 0.000 1.127 517 N HN 0.847 nan 8.380 nan 0.000 0.509 518 T N 0.513 114.892 114.554 -0.292 0.000 3.035 518 T HA 0.096 4.446 4.350 -0.000 0.000 0.268 518 T C 1.396 175.780 174.700 -0.528 0.000 1.109 518 T CA 0.848 62.751 62.100 -0.328 0.000 1.119 518 T CB -0.352 68.453 68.868 -0.105 0.000 0.900 518 T HN 0.628 nan 8.240 nan 0.000 0.503 519 G N 0.913 109.509 108.800 -0.340 0.000 2.189 519 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 519 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 519 G C -0.069 174.680 174.900 -0.252 0.000 0.975 519 G CA 0.177 45.072 45.100 -0.342 0.000 0.644 519 G HN 0.572 nan 8.290 nan 0.000 0.537 520 F N 0.949 120.885 119.950 -0.023 0.000 2.495 520 F HA 0.541 5.067 4.527 -0.000 0.000 0.365 520 F C 1.319 177.141 175.800 0.036 0.000 1.090 520 F CA -1.002 57.005 58.000 0.012 0.000 1.235 520 F CB 0.526 39.542 39.000 0.027 0.000 1.119 520 F HN -0.003 nan 8.300 nan 0.000 0.562 521 I N 3.939 124.666 120.570 0.261 0.000 2.428 521 I HA 0.042 4.212 4.170 -0.000 0.000 0.289 521 I C 1.086 177.298 176.117 0.158 0.000 1.019 521 I CA -0.425 60.987 61.300 0.186 0.000 1.351 521 I CB 1.003 39.109 38.000 0.176 0.000 1.412 521 I HN 0.630 nan 8.210 nan 0.000 0.513 522 D N 5.306 125.787 120.400 0.136 0.000 2.133 522 D HA -0.295 4.345 4.640 -0.000 0.000 0.192 522 D C 1.814 178.158 176.300 0.073 0.000 1.001 522 D CA 1.963 56.023 54.000 0.099 0.000 0.844 522 D CB -0.308 40.548 40.800 0.092 0.000 0.944 522 D HN 0.580 nan 8.370 nan 0.000 0.447 523 A N 0.262 123.128 122.820 0.076 0.000 1.929 523 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 523 A C 2.207 179.834 177.584 0.072 0.000 1.176 523 A CA 1.484 53.556 52.037 0.058 0.000 0.628 523 A CB -0.615 18.417 19.000 0.053 0.000 0.816 523 A HN 0.240 nan 8.150 nan 0.000 0.444 524 E N 0.523 120.778 120.200 0.092 0.000 2.058 524 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 524 E C 2.035 178.668 176.600 0.055 0.000 0.997 524 E CA 1.840 58.294 56.400 0.090 0.000 0.801 524 E CB -0.294 29.475 29.700 0.114 0.000 0.746 524 E HN 0.304 nan 8.360 nan 0.000 0.450 525 V N 1.514 121.455 119.914 0.045 0.000 2.343 525 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 525 V C 2.662 178.779 176.094 0.038 0.000 1.051 525 V CA 1.624 63.928 62.300 0.006 0.000 1.036 525 V CB -0.605 31.221 31.823 0.005 0.000 0.654 525 V HN 0.252 nan 8.190 nan 0.000 0.451 526 L N 0.538 121.783 121.223 0.037 0.000 2.017 526 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 526 L C 2.459 179.368 176.870 0.066 0.000 1.073 526 L CA 2.116 56.982 54.840 0.043 0.000 0.745 526 L CB -0.923 41.143 42.059 0.012 0.000 0.894 526 L HN 0.230 nan 8.230 nan 0.000 0.432 527 K N 0.011 120.436 120.400 0.042 0.000 2.009 527 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 527 K C 1.898 178.506 176.600 0.014 0.000 1.049 527 K CA 1.809 58.105 56.287 0.016 0.000 0.929 527 K CB -0.431 32.099 32.500 0.050 0.000 0.714 527 K HN 0.444 nan 8.250 nan 0.000 0.440 528 A N 0.218 123.060 122.820 0.036 0.000 1.930 528 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 528 A C 2.146 179.748 177.584 0.030 0.000 1.175 528 A CA 1.349 53.398 52.037 0.020 0.000 0.627 528 A CB -0.836 18.168 19.000 0.006 0.000 0.815 528 A HN 0.561 nan 8.150 nan 0.000 0.443 529 Y N 0.507 120.779 120.300 -0.046 0.000 2.181 529 Y HA -0.189 4.360 4.550 -0.000 0.000 0.288 529 Y C 1.978 177.858 175.900 -0.033 0.000 1.146 529 Y CA 1.820 59.899 58.100 -0.035 0.000 1.164 529 Y CB -0.242 38.200 38.460 -0.031 0.000 0.982 529 Y HN 0.275 nan 8.280 nan 0.000 0.515 530 I N 0.052 120.625 120.570 0.006 0.000 2.226 530 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 530 I C 2.389 178.424 176.117 -0.136 0.000 1.100 530 I CA 1.665 62.914 61.300 -0.085 0.000 1.374 530 I CB -0.515 37.458 38.000 -0.045 0.000 1.057 530 I HN 0.318 nan 8.210 nan 0.000 0.413 531 Q N 0.933 120.668 119.800 -0.109 0.000 2.096 531 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 531 Q C 2.018 177.950 176.000 -0.114 0.000 0.982 531 Q CA 1.962 57.703 55.803 -0.103 0.000 0.850 531 Q CB -0.139 28.554 28.738 -0.074 0.000 0.901 531 Q HN 0.587 nan 8.270 nan 0.000 0.422 532 K N -1.221 119.091 120.400 -0.148 0.000 2.393 532 K HA 0.182 4.501 4.320 -0.000 0.000 0.193 532 K C 1.211 177.692 176.600 -0.198 0.000 1.026 532 K CA 0.757 56.957 56.287 -0.145 0.000 1.064 532 K CB 0.577 33.004 32.500 -0.121 0.000 0.833 532 K HN -0.130 nan 8.250 nan 0.000 0.521 533 S N 0.291 115.820 115.700 -0.283 0.000 2.540 533 S HA 0.067 4.537 4.470 -0.000 0.000 0.222 533 S C 0.335 174.849 174.600 -0.143 0.000 1.008 533 S CA -0.531 57.499 58.200 -0.283 0.000 0.939 533 S CB 0.679 63.550 63.200 -0.547 0.000 0.865 533 S HN 0.335 nan 8.310 nan 0.000 0.499 534 S N 3.764 119.393 115.700 -0.118 0.000 2.564 534 S HA 0.296 4.766 4.470 -0.000 0.000 0.278 534 S C -2.405 172.167 174.600 -0.048 0.000 1.333 534 S CA -1.117 57.041 58.200 -0.069 0.000 1.048 534 S CB 0.140 63.297 63.200 -0.072 0.000 0.900 534 S HN 0.149 nan 8.310 nan 0.000 0.505 535 P HA 0.256 nan 4.420 nan 0.000 0.280 535 P C -0.927 176.381 177.300 0.014 0.000 1.244 535 P CA -0.407 62.686 63.100 -0.012 0.000 0.784 535 P CB 0.369 32.066 31.700 -0.005 0.000 0.913 536 L N 2.446 123.690 121.223 0.034 0.000 2.331 536 L HA 0.216 4.556 4.340 -0.000 0.000 0.278 536 L C 0.744 177.685 176.870 0.119 0.000 1.106 536 L CA -0.159 54.747 54.840 0.110 0.000 0.824 536 L CB 0.252 42.366 42.059 0.091 0.000 1.142 536 L HN 0.379 nan 8.230 nan 0.000 0.443 537 D N 2.275 122.768 120.400 0.155 0.000 2.427 537 D HA 0.155 4.795 4.640 -0.000 0.000 0.226 537 D C 0.875 177.286 176.300 0.185 0.000 1.076 537 D CA -0.595 53.474 54.000 0.115 0.000 0.849 537 D CB 1.762 42.593 40.800 0.052 0.000 1.052 537 D HN 0.309 nan 8.370 nan 0.000 0.515 538 V N 2.258 122.287 119.914 0.191 0.000 3.026 538 V HA -0.146 3.974 4.120 -0.000 0.000 0.265 538 V C 1.941 178.136 176.094 0.168 0.000 1.121 538 V CA 1.781 64.232 62.300 0.253 0.000 1.142 538 V CB -0.817 31.102 31.823 0.160 0.000 0.730 538 V HN 0.492 nan 8.190 nan 0.000 0.503 539 S N 0.331 116.079 115.700 0.080 0.000 2.399 539 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 539 S C 1.835 176.418 174.600 -0.029 0.000 1.022 539 S CA 1.770 59.988 58.200 0.030 0.000 0.983 539 S CB -0.471 62.738 63.200 0.014 0.000 0.803 539 S HN 0.501 nan 8.310 nan 0.000 0.480 540 V N 0.353 120.191 119.914 -0.127 0.000 2.515 540 V HA -0.065 4.055 4.120 -0.000 0.000 0.250 540 V C 1.479 177.320 176.094 -0.422 0.000 1.058 540 V CA 1.473 63.565 62.300 -0.347 0.000 1.064 540 V CB -0.891 30.587 31.823 -0.575 0.000 0.675 540 V HN 0.659 nan 8.190 nan 0.000 0.461 541 Y N -0.836 119.500 120.300 0.060 0.000 2.524 541 Y HA 0.406 4.955 4.550 -0.000 0.000 0.266 541 Y C 0.850 176.787 175.900 0.061 0.000 1.180 541 Y CA -0.878 57.261 58.100 0.065 0.000 1.244 541 Y CB 0.058 38.561 38.460 0.072 0.000 1.125 541 Y HN 0.141 nan 8.280 nan 0.000 0.524 542 E N 2.271 122.547 120.200 0.127 0.000 2.194 542 E HA 0.275 4.625 4.350 -0.000 0.000 0.284 542 E C -2.747 173.906 176.600 0.088 0.000 1.035 542 E CA -3.069 53.395 56.400 0.108 0.000 0.836 542 E CB 0.674 30.420 29.700 0.077 0.000 1.070 542 E HN -0.007 nan 8.360 nan 0.000 0.401 543 P HA 0.086 nan 4.420 nan 0.000 0.268 543 P C -0.706 176.634 177.300 0.066 0.000 1.204 543 P CA 0.063 63.217 63.100 0.091 0.000 0.768 543 P CB 0.538 32.311 31.700 0.121 0.000 0.842 544 K N 2.322 122.748 120.400 0.043 0.000 3.239 544 K HA 0.296 4.616 4.320 -0.000 0.000 0.204 544 K C 0.776 177.386 176.600 0.017 0.000 1.126 544 K CA -0.210 56.095 56.287 0.030 0.000 0.948 544 K CB 0.203 32.713 32.500 0.016 0.000 0.818 544 K HN 0.767 nan 8.250 nan 0.000 0.480 545 G N 1.662 110.479 108.800 0.029 0.000 2.225 545 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 545 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 545 G C 0.704 175.566 174.900 -0.062 0.000 1.024 545 G CA 0.815 45.921 45.100 0.009 0.000 0.784 545 G HN 0.380 nan 8.290 nan 0.000 0.507 546 E N -0.934 119.212 120.200 -0.089 0.000 2.110 546 E HA 0.113 4.463 4.350 -0.000 0.000 0.193 546 E C 1.782 178.165 176.600 -0.361 0.000 0.988 546 E CA 1.391 57.688 56.400 -0.171 0.000 0.804 546 E CB 0.010 29.625 29.700 -0.141 0.000 0.745 546 E HN 1.192 nan 8.360 nan 0.000 0.458 547 V N -1.112 118.537 119.914 -0.443 0.000 2.483 547 V HA 0.747 4.867 4.120 -0.000 0.000 0.295 547 V C -0.284 175.536 176.094 -0.457 0.000 1.035 547 V CA -0.723 61.051 62.300 -0.876 0.000 0.896 547 V CB 1.871 32.886 31.823 -1.347 0.000 0.986 547 V HN 0.086 nan 8.190 nan 0.000 0.447 548 S N 3.310 118.723 115.700 -0.479 0.000 2.556 548 S HA 0.637 5.107 4.470 -0.000 0.000 0.271 548 S C -0.314 174.249 174.600 -0.062 0.000 1.135 548 S CA -0.751 57.421 58.200 -0.047 0.000 0.858 548 S CB 1.850 65.072 63.200 0.036 0.000 1.114 548 S HN 0.854 nan 8.310 nan 0.000 0.468 549 W N 0.262 121.665 121.300 0.173 0.000 2.952 549 W HA 0.300 4.960 4.660 -0.000 0.000 0.251 549 W C 0.365 176.947 176.519 0.106 0.000 1.144 549 W CA -0.128 57.315 57.345 0.165 0.000 1.551 549 W CB 0.251 29.817 29.460 0.176 0.000 0.978 549 W HN 0.645 nan 8.180 nan 0.000 0.648 550 Q N -0.761 119.239 119.800 0.332 0.000 2.626 550 Q HA 0.575 4.915 4.340 -0.000 0.000 0.300 550 Q C -0.375 175.712 176.000 0.145 0.000 0.988 550 Q CA -0.064 55.852 55.803 0.187 0.000 0.761 550 Q CB 2.264 31.091 28.738 0.148 0.000 1.494 550 Q HN -0.011 nan 8.270 nan 0.000 0.439 551 E N 0.000 120.261 120.200 0.101 0.000 2.725 551 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 551 E CA 0.000 nan 56.400 nan 0.000 0.976 551 E CB 0.000 nan 29.700 nan 0.000 0.812 551 E HN 0.000 nan 8.360 nan 0.000 0.440