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 1we3_1_N DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.556 177.584 -0.047 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 3 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 4 K N 0.499 120.872 120.400 -0.044 0.000 2.520 4 K HA 0.727 5.048 4.320 0.000 0.000 0.256 4 K C -0.266 176.302 176.600 -0.053 0.000 1.033 4 K CA -0.535 55.715 56.287 -0.062 0.000 1.007 4 K CB 1.291 33.760 32.500 -0.053 0.000 1.330 4 K HN 0.950 nan 8.250 nan 0.000 0.507 5 I N 0.844 121.377 120.570 -0.062 0.000 2.637 5 I HA 0.189 4.359 4.170 0.000 0.000 0.285 5 I C -1.514 174.566 176.117 -0.061 0.000 1.222 5 I CA -0.519 60.755 61.300 -0.043 0.000 1.067 5 I CB 0.752 38.726 38.000 -0.043 0.000 1.279 5 I HN 0.357 nan 8.210 nan 0.000 0.441 6 L N 7.183 128.380 121.223 -0.043 0.000 2.418 6 L HA 0.655 4.995 4.340 0.000 0.000 0.265 6 L C -0.666 176.133 176.870 -0.117 0.000 1.143 6 L CA -0.675 54.083 54.840 -0.137 0.000 0.809 6 L CB 1.607 43.633 42.059 -0.056 0.000 1.124 6 L HN 0.356 nan 8.230 nan 0.000 0.456 7 V N 2.139 121.852 119.914 -0.335 0.000 2.752 7 V HA 0.409 4.529 4.120 0.000 0.000 0.302 7 V C -0.783 175.127 176.094 -0.307 0.000 1.133 7 V CA -0.543 61.675 62.300 -0.136 0.000 0.919 7 V CB 1.753 33.533 31.823 -0.071 0.000 1.026 7 V HN 0.433 nan 8.190 nan 0.000 0.429 8 F N 0.521 120.472 119.950 0.002 0.000 2.629 8 F HA 0.615 5.141 4.527 -0.000 0.000 0.386 8 F C 1.237 177.039 175.800 0.003 0.000 1.135 8 F CA -0.652 57.349 58.000 0.002 0.000 1.116 8 F CB 0.238 39.239 39.000 0.001 0.000 1.426 8 F HN 0.583 nan 8.300 nan 0.000 0.501 9 D N 0.232 120.774 120.400 0.237 0.000 3.470 9 D HA -0.336 4.304 4.640 0.000 0.000 0.175 9 D C 1.395 177.742 176.300 0.078 0.000 1.216 9 D CA 1.637 55.710 54.000 0.122 0.000 0.889 9 D CB -0.598 40.261 40.800 0.098 0.000 0.506 9 D HN 0.759 nan 8.370 nan 0.000 0.500 10 E N 0.705 120.940 120.200 0.058 0.000 2.171 10 E HA -0.205 4.146 4.350 0.000 0.000 0.197 10 E C 2.084 178.709 176.600 0.041 0.000 0.997 10 E CA 1.322 57.746 56.400 0.041 0.000 0.810 10 E CB -0.205 29.514 29.700 0.032 0.000 0.738 10 E HN 0.430 nan 8.360 nan 0.000 0.467 11 A N 1.205 124.058 122.820 0.056 0.000 1.873 11 A HA -0.240 4.080 4.320 0.000 0.000 0.218 11 A C 2.371 179.977 177.584 0.036 0.000 1.193 11 A CA 2.234 54.302 52.037 0.051 0.000 0.629 11 A CB -0.889 18.157 19.000 0.078 0.000 0.826 11 A HN 0.402 nan 8.150 nan 0.000 0.447 12 A N -0.529 122.312 122.820 0.034 0.000 1.841 12 A HA -0.146 4.174 4.320 0.000 0.000 0.214 12 A C 2.225 179.812 177.584 0.005 0.000 1.195 12 A CA 1.579 53.618 52.037 0.003 0.000 0.611 12 A CB -0.552 18.434 19.000 -0.023 0.000 0.835 12 A HN 0.540 nan 8.150 nan 0.000 0.443 13 R N -0.947 119.561 120.500 0.013 0.000 2.117 13 R HA -0.126 4.214 4.340 0.000 0.000 0.243 13 R C 2.340 178.646 176.300 0.011 0.000 1.143 13 R CA 1.459 57.566 56.100 0.011 0.000 0.968 13 R CB -0.283 30.026 30.300 0.016 0.000 0.863 13 R HN 0.321 nan 8.270 nan 0.000 0.444 14 R N 0.196 120.704 120.500 0.014 0.000 2.092 14 R HA 0.000 4.341 4.340 0.000 0.000 0.231 14 R C 2.152 178.458 176.300 0.011 0.000 1.119 14 R CA 1.348 57.456 56.100 0.013 0.000 0.970 14 R CB -0.713 29.597 30.300 0.016 0.000 0.864 14 R HN 0.256 nan 8.270 nan 0.000 0.440 15 A N 1.423 124.249 122.820 0.011 0.000 1.858 15 A HA -0.111 4.209 4.320 0.000 0.000 0.216 15 A C 2.403 179.990 177.584 0.006 0.000 1.190 15 A CA 1.129 53.171 52.037 0.009 0.000 0.617 15 A CB -0.693 18.313 19.000 0.009 0.000 0.827 15 A HN 0.179 nan 8.150 nan 0.000 0.443 16 L N -0.659 120.566 121.223 0.004 0.000 2.013 16 L HA -0.268 4.073 4.340 0.000 0.000 0.212 16 L C 2.724 179.596 176.870 0.003 0.000 1.073 16 L CA 2.078 56.919 54.840 0.002 0.000 0.753 16 L CB -0.666 41.392 42.059 -0.000 0.000 0.890 16 L HN 0.661 nan 8.230 nan 0.000 0.432 17 E N 0.478 120.680 120.200 0.004 0.000 2.130 17 E HA -0.271 4.079 4.350 0.000 0.000 0.196 17 E C 2.331 178.934 176.600 0.004 0.000 0.998 17 E CA 1.299 57.702 56.400 0.005 0.000 0.806 17 E CB 0.043 29.747 29.700 0.006 0.000 0.738 17 E HN 0.366 nan 8.360 nan 0.000 0.459 18 R N -0.363 120.139 120.500 0.004 0.000 2.091 18 R HA -0.116 4.224 4.340 0.000 0.000 0.238 18 R C 2.530 178.831 176.300 0.001 0.000 1.136 18 R CA 1.299 57.401 56.100 0.003 0.000 0.959 18 R CB -0.538 29.764 30.300 0.004 0.000 0.856 18 R HN 0.311 nan 8.270 nan 0.000 0.437 19 G N 0.320 109.120 108.800 0.001 0.000 2.433 19 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 19 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 19 G C 1.472 176.371 174.900 -0.001 0.000 1.186 19 G CA 0.845 45.944 45.100 -0.001 0.000 0.779 19 G HN 0.136 nan 8.290 nan 0.000 0.543 20 V N 1.764 121.679 119.914 0.001 0.000 2.278 20 V HA -0.291 3.829 4.120 0.000 0.000 0.251 20 V C 2.697 178.792 176.094 0.001 0.000 1.062 20 V CA 2.144 64.445 62.300 0.001 0.000 1.038 20 V CB -0.486 31.338 31.823 0.002 0.000 0.646 20 V HN 0.380 nan 8.190 nan 0.000 0.447 21 N N -0.026 118.675 118.700 0.001 0.000 2.188 21 N HA -0.102 4.638 4.740 0.000 0.000 0.184 21 N C 1.932 177.442 175.510 -0.000 0.000 1.018 21 N CA 1.531 54.582 53.050 0.001 0.000 0.858 21 N CB -0.382 38.106 38.487 0.002 0.000 0.989 21 N HN 0.516 nan 8.380 nan 0.000 0.426 22 A N 1.218 124.037 122.820 -0.002 0.000 1.873 22 A HA -0.141 4.179 4.320 0.000 0.000 0.218 22 A C 2.551 180.133 177.584 -0.004 0.000 1.193 22 A CA 1.732 53.766 52.037 -0.004 0.000 0.629 22 A CB -0.956 18.040 19.000 -0.006 0.000 0.826 22 A HN 0.090 nan 8.150 nan 0.000 0.447 23 V N -0.233 119.679 119.914 -0.003 0.000 2.216 23 V HA -0.237 3.883 4.120 0.000 0.000 0.243 23 V C 3.079 179.172 176.094 -0.001 0.000 1.044 23 V CA 2.145 64.444 62.300 -0.003 0.000 0.995 23 V CB -1.571 30.251 31.823 -0.002 0.000 0.633 23 V HN 0.665 nan 8.190 nan 0.000 0.446 24 A N 0.646 123.466 122.820 0.000 0.000 1.954 24 A HA -0.343 3.977 4.320 0.000 0.000 0.222 24 A C 2.008 179.594 177.584 0.002 0.000 1.199 24 A CA 2.595 54.633 52.037 0.002 0.000 0.657 24 A CB -0.919 18.082 19.000 0.003 0.000 0.823 24 A HN 0.664 nan 8.150 nan 0.000 0.463 25 N N -0.205 118.496 118.700 0.001 0.000 2.244 25 N HA -0.029 4.711 4.740 0.000 0.000 0.183 25 N C 1.813 177.324 175.510 0.001 0.000 1.016 25 N CA 1.373 54.425 53.050 0.002 0.000 0.866 25 N CB -0.448 38.040 38.487 0.001 0.000 0.980 25 N HN 0.544 nan 8.380 nan 0.000 0.430 26 A N 0.526 123.346 122.820 -0.001 0.000 1.930 26 A HA 0.025 4.345 4.320 0.000 0.000 0.215 26 A C 2.477 180.060 177.584 -0.001 0.000 1.176 26 A CA 0.755 52.791 52.037 -0.002 0.000 0.632 26 A CB -0.456 18.542 19.000 -0.004 0.000 0.819 26 A HN 0.065 nan 8.150 nan 0.000 0.445 27 V N 1.561 121.475 119.914 -0.000 0.000 2.283 27 V HA -0.263 3.857 4.120 0.000 0.000 0.243 27 V C 2.511 178.606 176.094 0.002 0.000 1.039 27 V CA 2.236 64.537 62.300 0.001 0.000 1.016 27 V CB -0.796 31.027 31.823 0.001 0.000 0.650 27 V HN 0.831 nan 8.190 nan 0.000 0.449 28 K N 1.703 122.105 120.400 0.004 0.000 2.360 28 K HA -0.137 4.183 4.320 0.000 0.000 0.201 28 K C 1.711 178.316 176.600 0.007 0.000 1.046 28 K CA 1.787 58.078 56.287 0.005 0.000 0.940 28 K CB -0.838 31.666 32.500 0.007 0.000 0.748 28 K HN 0.524 nan 8.250 nan 0.000 0.465 29 V N -0.298 119.620 119.914 0.007 0.000 3.444 29 V HA -0.065 4.055 4.120 0.000 0.000 0.271 29 V C 1.781 177.880 176.094 0.008 0.000 1.188 29 V CA 1.454 63.760 62.300 0.009 0.000 1.168 29 V CB -0.926 30.902 31.823 0.007 0.000 0.810 29 V HN 0.571 nan 8.190 nan 0.000 0.500 30 T N -2.936 111.620 114.554 0.005 0.000 2.971 30 T HA 0.314 4.664 4.350 0.000 0.000 0.252 30 T C 0.538 175.239 174.700 0.002 0.000 1.022 30 T CA -0.125 61.976 62.100 0.003 0.000 0.980 30 T CB -0.064 68.804 68.868 -0.000 0.000 1.044 30 T HN 0.355 nan 8.240 nan 0.000 0.501 31 L N 2.893 124.117 121.223 0.003 0.000 2.559 31 L HA 0.452 4.792 4.340 0.000 0.000 0.282 31 L C 0.883 177.750 176.870 -0.005 0.000 1.232 31 L CA 2.060 56.900 54.840 -0.000 0.000 0.885 31 L CB -0.597 41.463 42.059 0.002 0.000 1.131 31 L HN 0.787 nan 8.230 nan 0.000 0.498 32 G N 3.628 112.420 108.800 -0.013 0.000 2.712 32 G HA2 -0.165 3.795 3.960 0.000 0.000 0.683 32 G HA3 -0.165 3.795 3.960 0.000 0.000 0.683 32 G C -1.920 172.961 174.900 -0.032 0.000 1.320 32 G CA -0.433 44.651 45.100 -0.027 0.000 0.847 32 G HN 0.521 nan 8.290 nan 0.000 0.553 33 P HA 0.020 nan 4.420 nan 0.000 0.223 33 P C 1.093 178.370 177.300 -0.039 0.000 1.144 33 P CA 1.045 64.110 63.100 -0.058 0.000 0.783 33 P CB 0.123 31.763 31.700 -0.101 0.000 0.771 34 R N -0.820 119.665 120.500 -0.025 0.000 2.734 34 R HA 0.307 4.647 4.340 0.000 0.000 0.395 34 R C 0.619 176.925 176.300 0.010 0.000 1.096 34 R CA -0.350 55.749 56.100 -0.002 0.000 1.071 34 R CB -0.037 30.274 30.300 0.018 0.000 1.348 34 R HN 0.040 nan 8.270 nan 0.000 0.600 35 G N 1.351 110.152 108.800 0.002 0.000 2.568 35 G HA2 -0.028 3.932 3.960 0.000 0.000 0.231 35 G HA3 -0.028 3.932 3.960 0.000 0.000 0.231 35 G C 0.302 175.207 174.900 0.009 0.000 1.261 35 G CA -0.258 44.846 45.100 0.006 0.000 0.855 35 G HN 0.086 nan 8.290 nan 0.000 0.576 36 R N 0.362 120.869 120.500 0.010 0.000 2.541 36 R HA 0.167 4.507 4.340 0.000 0.000 0.263 36 R C 0.289 176.591 176.300 0.003 0.000 1.112 36 R CA -0.601 55.505 56.100 0.009 0.000 1.170 36 R CB 0.308 30.615 30.300 0.012 0.000 1.167 36 R HN 0.680 nan 8.270 nan 0.000 0.582 37 N N -0.660 118.040 118.700 0.001 0.000 2.514 37 N HA 0.231 4.971 4.740 0.000 0.000 0.277 37 N C -0.940 174.567 175.510 -0.004 0.000 1.126 37 N CA -0.349 52.699 53.050 -0.003 0.000 0.978 37 N CB 1.254 39.739 38.487 -0.004 0.000 1.106 37 N HN 0.054 nan 8.380 nan 0.000 0.461 38 V N 2.608 122.518 119.914 -0.007 0.000 2.540 38 V HA 0.297 4.417 4.120 0.000 0.000 0.302 38 V C -0.195 175.893 176.094 -0.009 0.000 1.035 38 V CA -0.784 61.512 62.300 -0.007 0.000 0.873 38 V CB 1.885 33.704 31.823 -0.007 0.000 0.992 38 V HN 0.323 nan 8.190 nan 0.000 0.428 39 V N 6.492 126.401 119.914 -0.009 0.000 2.407 39 V HA 0.491 4.611 4.120 0.000 0.000 0.278 39 V C -0.490 175.598 176.094 -0.011 0.000 1.037 39 V CA -0.407 61.887 62.300 -0.010 0.000 0.900 39 V CB 1.399 33.216 31.823 -0.010 0.000 0.983 39 V HN 0.581 nan 8.190 nan 0.000 0.459 40 L N 5.097 126.313 121.223 -0.011 0.000 2.356 40 L HA 0.526 4.867 4.340 0.000 0.000 0.277 40 L C -0.008 176.856 176.870 -0.009 0.000 0.996 40 L CA -0.319 54.514 54.840 -0.011 0.000 0.822 40 L CB 1.889 43.941 42.059 -0.011 0.000 1.256 40 L HN 0.817 nan 8.230 nan 0.000 0.413 41 E N 3.140 123.333 120.200 -0.010 0.000 2.216 41 E HA 0.502 4.852 4.350 0.000 0.000 0.279 41 E C -1.064 175.534 176.600 -0.004 0.000 0.997 41 E CA -0.975 55.419 56.400 -0.010 0.000 0.817 41 E CB 1.393 31.081 29.700 -0.019 0.000 1.096 41 E HN 0.180 nan 8.360 nan 0.000 0.393 42 K N 3.295 123.701 120.400 0.008 0.000 2.156 42 K HA 0.191 4.511 4.320 0.000 0.000 0.271 42 K C 0.513 177.129 176.600 0.026 0.000 0.995 42 K CA -0.604 55.705 56.287 0.036 0.000 0.890 42 K CB 1.469 34.004 32.500 0.059 0.000 1.073 42 K HN 0.567 nan 8.250 nan 0.000 0.454 43 K N 1.163 121.580 120.400 0.028 0.000 2.059 43 K HA -0.183 4.137 4.320 0.000 0.000 0.212 43 K C 1.394 177.816 176.600 -0.296 0.000 1.050 43 K CA 1.955 58.152 56.287 -0.149 0.000 0.927 43 K CB -0.138 32.245 32.500 -0.194 0.000 0.714 43 K HN 0.355 nan 8.250 nan 0.000 0.447 44 F N 0.039 119.979 119.950 -0.017 0.000 2.387 44 F HA 0.178 4.706 4.527 0.001 0.000 0.278 44 F C 1.820 177.611 175.800 -0.015 0.000 1.010 44 F CA 0.019 58.010 58.000 -0.015 0.000 1.236 44 F CB -1.127 37.864 39.000 -0.015 0.000 1.137 44 F HN -0.050 nan 8.300 nan 0.000 0.604 45 G N 0.501 109.425 108.800 0.206 0.000 2.699 45 G HA2 0.311 4.271 3.960 0.000 0.000 0.246 45 G HA3 0.311 4.271 3.960 0.000 0.000 0.246 45 G C 0.224 175.155 174.900 0.053 0.000 1.219 45 G CA 0.018 45.176 45.100 0.097 0.000 0.866 45 G HN 0.375 nan 8.290 nan 0.000 0.572 46 S N 0.883 116.600 115.700 0.030 0.000 2.626 46 S HA 0.427 4.898 4.470 0.000 0.000 0.257 46 S C -1.898 172.707 174.600 0.007 0.000 1.288 46 S CA -0.814 57.394 58.200 0.013 0.000 0.980 46 S CB 0.971 64.175 63.200 0.007 0.000 0.975 46 S HN 0.628 nan 8.310 nan 0.000 0.577 47 P HA 0.256 nan 4.420 nan 0.000 0.272 47 P C -0.668 176.628 177.300 -0.005 0.000 1.230 47 P CA -0.148 62.949 63.100 -0.004 0.000 0.788 47 P CB 0.302 31.997 31.700 -0.008 0.000 0.949 48 T N 1.370 115.920 114.554 -0.008 0.000 2.908 48 T HA 0.665 5.015 4.350 0.000 0.000 0.290 48 T C 0.114 174.805 174.700 -0.014 0.000 1.034 48 T CA -0.520 61.573 62.100 -0.012 0.000 1.010 48 T CB 0.902 69.762 68.868 -0.013 0.000 1.068 48 T HN 0.438 nan 8.240 nan 0.000 0.481 49 I N -0.616 119.944 120.570 -0.017 0.000 2.545 49 I HA 0.841 5.011 4.170 0.000 0.000 0.292 49 I C -0.628 175.476 176.117 -0.021 0.000 1.040 49 I CA -0.534 60.756 61.300 -0.017 0.000 1.068 49 I CB 2.329 40.321 38.000 -0.014 0.000 1.251 49 I HN 0.491 nan 8.210 nan 0.000 0.424 50 T N 3.687 118.230 114.554 -0.020 0.000 2.742 50 T HA 0.556 4.906 4.350 0.000 0.000 0.282 50 T C 0.057 174.746 174.700 -0.019 0.000 1.025 50 T CA -0.785 61.301 62.100 -0.024 0.000 1.020 50 T CB 2.013 70.866 68.868 -0.025 0.000 1.317 50 T HN 0.729 nan 8.240 nan 0.000 0.538 51 K N -0.103 120.286 120.400 -0.020 0.000 2.617 51 K HA 0.148 4.468 4.320 0.000 0.000 0.184 51 K C -1.011 175.582 176.600 -0.011 0.000 1.295 51 K CA -0.181 56.099 56.287 -0.013 0.000 1.112 51 K CB 0.815 33.307 32.500 -0.013 0.000 1.069 51 K HN 0.484 nan 8.250 nan 0.000 0.570 52 D N 0.205 120.596 120.400 -0.015 0.000 2.349 52 D HA 0.152 4.792 4.640 0.000 0.000 0.232 52 D C 0.934 177.231 176.300 -0.005 0.000 1.071 52 D CA -0.100 53.895 54.000 -0.009 0.000 0.832 52 D CB 1.738 42.524 40.800 -0.022 0.000 1.086 52 D HN 0.221 nan 8.370 nan 0.000 0.504 53 G N 2.843 111.644 108.800 0.002 0.000 2.476 53 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 53 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 53 G C 1.564 176.466 174.900 0.002 0.000 1.164 53 G CA 1.154 46.256 45.100 0.002 0.000 0.768 53 G HN 0.495 nan 8.290 nan 0.000 0.560 54 V N 0.825 120.744 119.914 0.007 0.000 2.407 54 V HA -0.189 3.931 4.120 0.000 0.000 0.248 54 V C 3.029 179.124 176.094 0.002 0.000 1.055 54 V CA 2.307 64.612 62.300 0.009 0.000 1.049 54 V CB -1.305 30.530 31.823 0.020 0.000 0.662 54 V HN 0.368 nan 8.190 nan 0.000 0.455 55 T N 0.590 115.141 114.554 -0.005 0.000 2.674 55 T HA -0.162 4.188 4.350 0.000 0.000 0.265 55 T C 2.003 176.697 174.700 -0.011 0.000 1.039 55 T CA 1.847 63.938 62.100 -0.014 0.000 1.150 55 T CB -0.315 68.536 68.868 -0.027 0.000 0.864 55 T HN 0.319 nan 8.240 nan 0.000 0.427 56 V N 1.922 121.830 119.914 -0.009 0.000 2.295 56 V HA -0.173 3.947 4.120 0.000 0.000 0.246 56 V C 2.946 179.037 176.094 -0.006 0.000 1.049 56 V CA 1.669 63.964 62.300 -0.008 0.000 1.024 56 V CB -1.388 30.431 31.823 -0.007 0.000 0.648 56 V HN 0.537 nan 8.190 nan 0.000 0.447 57 A N -0.187 122.631 122.820 -0.004 0.000 1.927 57 A HA -0.317 4.003 4.320 0.000 0.000 0.220 57 A C 2.298 179.880 177.584 -0.003 0.000 1.185 57 A CA 2.374 54.409 52.037 -0.002 0.000 0.639 57 A CB -0.549 18.452 19.000 0.000 0.000 0.820 57 A HN 0.571 nan 8.150 nan 0.000 0.451 58 K N -0.656 119.742 120.400 -0.003 0.000 2.063 58 K HA -0.132 4.188 4.320 0.000 0.000 0.208 58 K C 1.520 178.116 176.600 -0.005 0.000 1.048 58 K CA 1.344 57.629 56.287 -0.003 0.000 0.928 58 K CB -0.111 32.388 32.500 -0.002 0.000 0.713 58 K HN 0.383 nan 8.250 nan 0.000 0.442 59 E N 0.581 120.776 120.200 -0.007 0.000 2.511 59 E HA -0.020 4.330 4.350 0.000 0.000 0.196 59 E C -0.147 176.446 176.600 -0.011 0.000 1.066 59 E CA 0.267 56.662 56.400 -0.009 0.000 0.871 59 E CB 0.159 29.854 29.700 -0.009 0.000 0.863 59 E HN -0.020 nan 8.360 nan 0.000 0.520 60 V N 2.075 121.983 119.914 -0.010 0.000 2.372 60 V HA 0.151 4.271 4.120 0.000 0.000 0.261 60 V C 0.115 176.200 176.094 -0.015 0.000 1.055 60 V CA -0.106 62.186 62.300 -0.012 0.000 0.930 60 V CB 0.639 32.456 31.823 -0.010 0.000 1.031 60 V HN 0.022 nan 8.190 nan 0.000 0.479 61 E N 5.101 125.288 120.200 -0.021 0.000 2.274 61 E HA 0.512 4.863 4.350 0.000 0.000 0.269 61 E C -1.292 175.286 176.600 -0.038 0.000 0.891 61 E CA -0.669 55.714 56.400 -0.029 0.000 0.784 61 E CB 1.466 31.148 29.700 -0.030 0.000 1.225 61 E HN 0.597 nan 8.360 nan 0.000 0.412 62 L N 3.596 124.793 121.223 -0.044 0.000 2.399 62 L HA 0.342 4.682 4.340 0.000 0.000 0.266 62 L C 1.425 178.248 176.870 -0.078 0.000 1.114 62 L CA -0.499 54.312 54.840 -0.049 0.000 0.804 62 L CB 0.963 42.999 42.059 -0.037 0.000 1.146 62 L HN 0.705 nan 8.230 nan 0.000 0.451 63 E N 0.198 120.356 120.200 -0.070 0.000 2.047 63 E HA -0.147 4.203 4.350 0.000 0.000 0.191 63 E C 0.336 176.864 176.600 -0.120 0.000 0.987 63 E CA 0.765 57.111 56.400 -0.090 0.000 0.799 63 E CB 0.125 29.792 29.700 -0.055 0.000 0.752 63 E HN 0.597 nan 8.360 nan 0.000 0.449 64 D N 0.093 120.451 120.400 -0.071 0.000 2.371 64 D HA -0.068 4.572 4.640 0.000 0.000 0.256 64 D C 0.885 177.157 176.300 -0.047 0.000 1.193 64 D CA 0.158 54.135 54.000 -0.039 0.000 0.881 64 D CB 0.659 41.457 40.800 -0.003 0.000 1.143 64 D HN 0.173 nan 8.370 nan 0.000 0.473 65 H N 3.874 122.940 119.070 -0.007 0.000 2.265 65 H HA -0.163 4.393 4.556 -0.000 0.000 0.295 65 H C 1.981 177.302 175.328 -0.012 0.000 1.084 65 H CA 1.298 57.340 56.048 -0.009 0.000 1.261 65 H CB 0.189 29.945 29.762 -0.010 0.000 1.360 65 H HN 0.503 nan 8.280 nan 0.000 0.487 66 L N 0.659 121.955 121.223 0.121 0.000 1.989 66 L HA -0.202 4.138 4.340 0.000 0.000 0.211 66 L C 2.585 179.473 176.870 0.030 0.000 1.071 66 L CA 1.458 56.331 54.840 0.054 0.000 0.749 66 L CB -0.490 41.589 42.059 0.032 0.000 0.890 66 L HN 0.333 nan 8.230 nan 0.000 0.431 67 E N -0.074 120.138 120.200 0.020 0.000 2.085 67 E HA -0.259 4.091 4.350 0.000 0.000 0.194 67 E C 1.865 178.466 176.600 0.000 0.000 0.994 67 E CA 1.504 57.908 56.400 0.006 0.000 0.801 67 E CB -0.272 29.428 29.700 0.000 0.000 0.743 67 E HN 0.432 nan 8.360 nan 0.000 0.453 68 N N 1.222 119.918 118.700 -0.006 0.000 2.084 68 N HA -0.145 4.595 4.740 0.000 0.000 0.190 68 N C 1.771 177.283 175.510 0.003 0.000 1.030 68 N CA 0.982 54.023 53.050 -0.015 0.000 0.849 68 N CB -0.128 38.332 38.487 -0.044 0.000 1.012 68 N HN 0.081 nan 8.380 nan 0.000 0.423 69 I N -0.174 120.408 120.570 0.020 0.000 2.185 69 I HA -0.283 3.888 4.170 0.000 0.000 0.246 69 I C 2.260 178.382 176.117 0.008 0.000 1.088 69 I CA 1.524 62.836 61.300 0.020 0.000 1.347 69 I CB -0.776 37.238 38.000 0.023 0.000 1.041 69 I HN 0.323 nan 8.210 nan 0.000 0.415 70 G N 0.165 108.968 108.800 0.005 0.000 2.404 70 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 70 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 70 G C 1.878 176.779 174.900 0.001 0.000 1.174 70 G CA 0.760 45.861 45.100 0.002 0.000 0.780 70 G HN 0.496 nan 8.290 nan 0.000 0.537 71 A N 0.169 122.989 122.820 -0.001 0.000 1.883 71 A HA -0.129 4.191 4.320 0.000 0.000 0.217 71 A C 2.432 180.015 177.584 -0.001 0.000 1.186 71 A CA 2.159 54.194 52.037 -0.002 0.000 0.624 71 A CB -0.453 18.543 19.000 -0.007 0.000 0.822 71 A HN 0.312 nan 8.150 nan 0.000 0.444 72 Q N -0.872 118.928 119.800 0.000 0.000 2.050 72 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 72 Q C 2.108 178.110 176.000 0.003 0.000 0.980 72 Q CA 1.324 57.129 55.803 0.002 0.000 0.840 72 Q CB -0.908 27.834 28.738 0.006 0.000 0.898 72 Q HN 0.541 nan 8.270 nan 0.000 0.424 73 L N 0.488 121.713 121.223 0.003 0.000 2.043 73 L HA -0.192 4.148 4.340 0.000 0.000 0.212 73 L C 2.220 179.091 176.870 0.002 0.000 1.075 73 L CA 1.321 56.163 54.840 0.002 0.000 0.752 73 L CB -0.791 41.268 42.059 0.001 0.000 0.891 73 L HN 0.249 nan 8.230 nan 0.000 0.432 74 L N -0.727 120.497 121.223 0.001 0.000 1.988 74 L HA -0.201 4.139 4.340 0.000 0.000 0.207 74 L C 2.470 179.341 176.870 0.002 0.000 1.071 74 L CA 1.768 56.609 54.840 0.001 0.000 0.744 74 L CB -0.682 41.377 42.059 0.001 0.000 0.893 74 L HN 0.153 nan 8.230 nan 0.000 0.433 75 K N -0.414 119.986 120.400 0.001 0.000 2.059 75 K HA -0.232 4.088 4.320 0.000 0.000 0.212 75 K C 2.002 178.604 176.600 0.002 0.000 1.050 75 K CA 1.829 58.117 56.287 0.002 0.000 0.927 75 K CB -0.368 32.133 32.500 0.001 0.000 0.714 75 K HN 0.423 nan 8.250 nan 0.000 0.447 76 E N 0.584 120.786 120.200 0.003 0.000 2.007 76 E HA -0.185 4.165 4.350 0.000 0.000 0.203 76 E C 2.218 178.819 176.600 0.002 0.000 1.020 76 E CA 1.307 57.709 56.400 0.003 0.000 0.845 76 E CB -0.627 29.075 29.700 0.003 0.000 0.779 76 E HN 0.048 nan 8.360 nan 0.000 0.466 77 V N 1.782 121.697 119.914 0.002 0.000 2.453 77 V HA -0.299 3.821 4.120 0.000 0.000 0.252 77 V C 2.415 178.510 176.094 0.002 0.000 1.068 77 V CA 1.966 64.267 62.300 0.001 0.000 1.070 77 V CB -0.981 30.842 31.823 0.001 0.000 0.664 77 V HN 0.304 nan 8.190 nan 0.000 0.461 78 A N 0.678 123.499 122.820 0.002 0.000 1.897 78 A HA -0.171 4.149 4.320 0.000 0.000 0.215 78 A C 2.551 180.137 177.584 0.002 0.000 1.181 78 A CA 2.018 54.057 52.037 0.002 0.000 0.620 78 A CB -0.690 18.312 19.000 0.003 0.000 0.821 78 A HN 0.688 nan 8.150 nan 0.000 0.443 79 S N 1.049 116.751 115.700 0.003 0.000 2.402 79 S HA -0.182 4.288 4.470 0.000 0.000 0.229 79 S C 1.573 176.174 174.600 0.001 0.000 1.021 79 S CA 1.221 59.422 58.200 0.003 0.000 0.974 79 S CB -0.617 62.584 63.200 0.003 0.000 0.800 79 S HN 0.722 nan 8.310 nan 0.000 0.484 80 K N 1.067 121.467 120.400 0.000 0.000 2.773 80 K HA 0.113 4.433 4.320 0.000 0.000 0.222 80 K C 0.519 177.119 176.600 -0.001 0.000 0.985 80 K CA 0.871 57.157 56.287 -0.001 0.000 1.126 80 K CB -0.502 31.998 32.500 -0.000 0.000 0.919 80 K HN 0.300 nan 8.250 nan 0.000 0.487 81 T N -0.411 114.142 114.554 -0.000 0.000 3.058 81 T HA -0.017 4.334 4.350 0.000 0.000 0.247 81 T C 1.367 176.066 174.700 -0.002 0.000 0.987 81 T CA -0.133 61.966 62.100 -0.001 0.000 1.062 81 T CB -0.076 68.792 68.868 0.000 0.000 1.048 81 T HN 0.308 nan 8.240 nan 0.000 0.468 82 N N 1.762 120.461 118.700 -0.001 0.000 2.331 82 N HA -0.100 4.641 4.740 0.000 0.000 0.180 82 N C 0.860 176.367 175.510 -0.005 0.000 1.019 82 N CA 1.004 54.053 53.050 -0.002 0.000 0.881 82 N CB -0.136 38.352 38.487 0.003 0.000 0.972 82 N HN 0.210 nan 8.380 nan 0.000 0.435 83 D N -0.653 119.743 120.400 -0.005 0.000 2.310 83 D HA -0.024 4.616 4.640 0.000 0.000 0.212 83 D C 1.182 177.477 176.300 -0.009 0.000 0.965 83 D CA 0.576 54.571 54.000 -0.008 0.000 0.879 83 D CB 0.389 41.184 40.800 -0.007 0.000 0.921 83 D HN 0.133 nan 8.370 nan 0.000 0.510 84 V N -1.041 118.869 119.914 -0.007 0.000 3.346 84 V HA 0.499 4.619 4.120 0.000 0.000 0.309 84 V C 0.937 177.027 176.094 -0.008 0.000 1.457 84 V CA 0.455 62.751 62.300 -0.007 0.000 1.069 84 V CB 0.845 32.666 31.823 -0.003 0.000 0.944 84 V HN 0.166 nan 8.190 nan 0.000 0.449 85 A N -0.678 122.136 122.820 -0.009 0.000 2.709 85 A HA 0.535 4.855 4.320 0.000 0.000 0.212 85 A C 1.504 179.079 177.584 -0.014 0.000 1.280 85 A CA 0.649 52.680 52.037 -0.010 0.000 1.034 85 A CB 0.123 19.118 19.000 -0.007 0.000 1.255 85 A HN 1.285 nan 8.150 nan 0.000 0.547 86 G N -0.218 108.573 108.800 -0.015 0.000 2.225 86 G HA2 -0.084 3.876 3.960 0.000 0.000 0.267 86 G HA3 -0.084 3.876 3.960 0.000 0.000 0.267 86 G C -0.181 174.709 174.900 -0.017 0.000 1.024 86 G CA 1.302 46.390 45.100 -0.019 0.000 0.784 86 G HN 1.160 nan 8.290 nan 0.000 0.507 87 D N -3.468 116.927 120.400 -0.009 0.000 2.913 87 D HA 0.537 5.177 4.640 0.000 0.000 0.293 87 D C 0.824 177.123 176.300 -0.002 0.000 1.238 87 D CA 1.345 55.342 54.000 -0.004 0.000 0.738 87 D CB -0.329 40.466 40.800 -0.009 0.000 1.254 87 D HN 1.463 nan 8.370 nan 0.000 0.429 88 G N -0.083 108.717 108.800 -0.000 0.000 2.147 88 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 88 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 88 G C 0.971 175.872 174.900 0.002 0.000 1.005 88 G CA 1.243 46.343 45.100 0.000 0.000 0.713 88 G HN 0.615 nan 8.290 nan 0.000 0.515 89 T N -0.878 113.678 114.554 0.004 0.000 2.896 89 T HA -0.010 4.340 4.350 0.000 0.000 0.263 89 T C 2.576 177.279 174.700 0.004 0.000 1.050 89 T CA 2.616 64.719 62.100 0.004 0.000 1.140 89 T CB -0.196 68.676 68.868 0.007 0.000 0.877 89 T HN 0.366 nan 8.240 nan 0.000 0.457 90 T N 1.027 115.584 114.554 0.005 0.000 2.737 90 T HA -0.068 4.282 4.350 0.000 0.000 0.265 90 T C 2.102 176.804 174.700 0.003 0.000 1.038 90 T CA 1.788 63.891 62.100 0.004 0.000 1.144 90 T CB -0.757 68.113 68.868 0.004 0.000 0.866 90 T HN 0.370 nan 8.240 nan 0.000 0.434 91 T N 1.787 116.343 114.554 0.002 0.000 2.759 91 T HA -0.074 4.276 4.350 0.000 0.000 0.269 91 T C 2.239 176.941 174.700 0.003 0.000 1.042 91 T CA 1.190 63.291 62.100 0.002 0.000 1.140 91 T CB -0.439 68.429 68.868 0.001 0.000 0.864 91 T HN 0.419 nan 8.240 nan 0.000 0.455 92 A N 0.865 123.687 122.820 0.003 0.000 1.930 92 A HA -0.087 4.233 4.320 0.000 0.000 0.217 92 A C 2.526 180.112 177.584 0.003 0.000 1.175 92 A CA 1.964 54.003 52.037 0.003 0.000 0.627 92 A CB -1.028 17.974 19.000 0.003 0.000 0.815 92 A HN 0.484 nan 8.150 nan 0.000 0.443 93 T N -0.309 114.247 114.554 0.003 0.000 2.674 93 T HA -0.130 4.220 4.350 0.000 0.000 0.265 93 T C 1.896 176.598 174.700 0.004 0.000 1.039 93 T CA 1.566 63.668 62.100 0.003 0.000 1.150 93 T CB -0.568 68.302 68.868 0.003 0.000 0.864 93 T HN 0.130 nan 8.240 nan 0.000 0.427 94 V N 1.787 121.704 119.914 0.004 0.000 2.231 94 V HA -0.198 3.922 4.120 0.000 0.000 0.248 94 V C 2.573 178.671 176.094 0.005 0.000 1.054 94 V CA 1.765 64.068 62.300 0.005 0.000 1.015 94 V CB -0.806 31.020 31.823 0.005 0.000 0.638 94 V HN 0.439 nan 8.190 nan 0.000 0.444 95 L N -0.108 121.118 121.223 0.005 0.000 2.043 95 L HA -0.251 4.090 4.340 0.000 0.000 0.212 95 L C 2.702 179.575 176.870 0.006 0.000 1.075 95 L CA 1.822 56.665 54.840 0.006 0.000 0.752 95 L CB -0.908 41.154 42.059 0.006 0.000 0.891 95 L HN 0.408 nan 8.230 nan 0.000 0.432 96 A N -0.685 122.138 122.820 0.005 0.000 1.902 96 A HA -0.280 4.040 4.320 0.000 0.000 0.217 96 A C 2.270 179.857 177.584 0.005 0.000 1.181 96 A CA 1.837 53.877 52.037 0.004 0.000 0.623 96 A CB -0.591 18.411 19.000 0.004 0.000 0.818 96 A HN 0.500 nan 8.150 nan 0.000 0.443 97 Q N -0.467 119.336 119.800 0.005 0.000 1.985 97 Q HA -0.214 4.126 4.340 0.000 0.000 0.207 97 Q C 2.286 178.290 176.000 0.006 0.000 0.996 97 Q CA 2.107 57.913 55.803 0.005 0.000 0.851 97 Q CB -0.427 28.314 28.738 0.005 0.000 0.921 97 Q HN 0.591 nan 8.270 nan 0.000 0.418 98 A N 1.002 123.826 122.820 0.006 0.000 1.869 98 A HA -0.256 4.064 4.320 0.000 0.000 0.218 98 A C 2.054 179.642 177.584 0.007 0.000 1.203 98 A CA 2.006 54.047 52.037 0.007 0.000 0.638 98 A CB -1.114 17.891 19.000 0.007 0.000 0.831 98 A HN 0.563 nan 8.150 nan 0.000 0.450 99 I N -0.389 120.185 120.570 0.006 0.000 2.194 99 I HA -0.267 3.903 4.170 0.000 0.000 0.246 99 I C 2.353 178.474 176.117 0.006 0.000 1.093 99 I CA 1.537 62.841 61.300 0.006 0.000 1.355 99 I CB -0.516 37.487 38.000 0.006 0.000 1.046 99 I HN 0.192 nan 8.210 nan 0.000 0.413 100 V N 0.564 120.481 119.914 0.006 0.000 2.343 100 V HA -0.270 3.850 4.120 0.000 0.000 0.247 100 V C 2.589 178.687 176.094 0.007 0.000 1.051 100 V CA 1.777 64.081 62.300 0.006 0.000 1.036 100 V CB -0.777 31.049 31.823 0.005 0.000 0.654 100 V HN 0.379 nan 8.190 nan 0.000 0.451 101 R N 0.166 120.670 120.500 0.006 0.000 2.109 101 R HA -0.177 4.163 4.340 0.000 0.000 0.227 101 R C 2.466 178.770 176.300 0.007 0.000 1.132 101 R CA 1.971 58.075 56.100 0.007 0.000 0.907 101 R CB -0.349 29.954 30.300 0.006 0.000 0.825 101 R HN 0.439 nan 8.270 nan 0.000 0.432 102 E N -0.375 119.829 120.200 0.007 0.000 2.171 102 E HA -0.178 4.172 4.350 0.000 0.000 0.197 102 E C 1.853 178.457 176.600 0.007 0.000 0.997 102 E CA 1.425 57.829 56.400 0.007 0.000 0.810 102 E CB -0.603 29.102 29.700 0.007 0.000 0.738 102 E HN 0.641 nan 8.360 nan 0.000 0.467 103 G N 1.355 110.160 108.800 0.007 0.000 2.453 103 G HA2 -0.218 3.742 3.960 0.000 0.000 0.215 103 G HA3 -0.218 3.742 3.960 0.000 0.000 0.215 103 G C 1.746 176.651 174.900 0.008 0.000 1.201 103 G CA 0.693 45.798 45.100 0.008 0.000 0.784 103 G HN 0.207 nan 8.290 nan 0.000 0.545 104 L N 0.358 121.586 121.223 0.009 0.000 2.131 104 L HA -0.064 4.276 4.340 0.000 0.000 0.210 104 L C 2.797 179.673 176.870 0.009 0.000 1.092 104 L CA 1.507 56.353 54.840 0.010 0.000 0.759 104 L CB -0.363 41.701 42.059 0.010 0.000 0.903 104 L HN 0.287 nan 8.230 nan 0.000 0.435 105 K N 0.543 120.948 120.400 0.008 0.000 1.991 105 K HA -0.210 4.110 4.320 0.000 0.000 0.212 105 K C 1.929 178.534 176.600 0.008 0.000 1.049 105 K CA 1.774 58.065 56.287 0.008 0.000 0.932 105 K CB -0.084 32.420 32.500 0.007 0.000 0.717 105 K HN 0.282 nan 8.250 nan 0.000 0.441 106 N N 0.377 119.081 118.700 0.008 0.000 2.289 106 N HA -0.130 4.610 4.740 0.000 0.000 0.184 106 N C 1.769 177.284 175.510 0.008 0.000 1.016 106 N CA 1.219 54.274 53.050 0.007 0.000 0.872 106 N CB 0.019 38.511 38.487 0.007 0.000 0.973 106 N HN 0.074 nan 8.380 nan 0.000 0.433 107 V N 1.381 121.300 119.914 0.009 0.000 2.548 107 V HA -0.109 4.011 4.120 0.000 0.000 0.249 107 V C 2.319 178.419 176.094 0.011 0.000 1.055 107 V CA 1.530 63.836 62.300 0.010 0.000 1.065 107 V CB -0.605 31.225 31.823 0.012 0.000 0.681 107 V HN 0.255 nan 8.190 nan 0.000 0.462 108 A N -0.252 122.575 122.820 0.010 0.000 2.119 108 A HA 0.217 4.537 4.320 0.000 0.000 0.216 108 A C 2.087 179.677 177.584 0.009 0.000 1.152 108 A CA 1.258 53.301 52.037 0.010 0.000 0.708 108 A CB -0.309 18.698 19.000 0.010 0.000 0.805 108 A HN 0.538 nan 8.150 nan 0.000 0.460 109 A N -1.804 121.020 122.820 0.008 0.000 2.307 109 A HA 0.459 4.779 4.320 0.000 0.000 0.218 109 A C 1.547 179.135 177.584 0.006 0.000 1.228 109 A CA 0.993 53.034 52.037 0.007 0.000 0.857 109 A CB -0.691 18.313 19.000 0.006 0.000 0.897 109 A HN 1.694 nan 8.150 nan 0.000 0.495 110 G N -1.895 106.909 108.800 0.007 0.000 2.179 110 G HA2 0.119 4.079 3.960 0.000 0.000 0.220 110 G HA3 0.119 4.079 3.960 0.000 0.000 0.220 110 G C 0.470 175.374 174.900 0.007 0.000 0.990 110 G CA 0.088 45.192 45.100 0.007 0.000 0.646 110 G HN 1.544 nan 8.290 nan 0.000 0.517 111 A N -0.051 122.774 122.820 0.007 0.000 2.445 111 A HA 0.577 4.898 4.320 0.000 0.000 0.242 111 A C 0.473 178.062 177.584 0.008 0.000 1.075 111 A CA 0.599 52.640 52.037 0.007 0.000 0.777 111 A CB 0.259 19.264 19.000 0.007 0.000 1.013 111 A HN 0.956 nan 8.150 nan 0.000 0.493 112 N N 2.096 120.800 118.700 0.007 0.000 2.442 112 N HA 0.283 5.023 4.740 0.000 0.000 0.265 112 N C -1.920 173.595 175.510 0.008 0.000 1.138 112 N CA -1.722 51.333 53.050 0.008 0.000 0.956 112 N CB 0.952 39.443 38.487 0.007 0.000 1.067 112 N HN 0.192 nan 8.380 nan 0.000 0.474 113 P HA -0.198 nan 4.420 nan 0.000 0.213 113 P C 1.328 178.633 177.300 0.009 0.000 1.170 113 P CA 1.389 64.495 63.100 0.010 0.000 0.902 113 P CB 0.157 31.865 31.700 0.012 0.000 0.789 114 L N -1.086 120.142 121.223 0.009 0.000 2.013 114 L HA -0.245 4.095 4.340 0.000 0.000 0.212 114 L C 2.523 179.397 176.870 0.006 0.000 1.073 114 L CA 1.977 56.822 54.840 0.007 0.000 0.753 114 L CB -1.522 40.541 42.059 0.007 0.000 0.890 114 L HN -0.022 nan 8.230 nan 0.000 0.432 115 A N 0.193 123.017 122.820 0.006 0.000 1.902 115 A HA -0.167 4.153 4.320 0.000 0.000 0.217 115 A C 2.296 179.883 177.584 0.006 0.000 1.181 115 A CA 1.452 53.493 52.037 0.006 0.000 0.623 115 A CB -0.700 18.303 19.000 0.006 0.000 0.818 115 A HN 0.366 nan 8.150 nan 0.000 0.443 116 L N -0.766 120.461 121.223 0.006 0.000 2.042 116 L HA -0.237 4.103 4.340 0.000 0.000 0.210 116 L C 2.630 179.504 176.870 0.006 0.000 1.076 116 L CA 2.058 56.902 54.840 0.006 0.000 0.749 116 L CB -0.453 41.611 42.059 0.007 0.000 0.893 116 L HN 0.507 nan 8.230 nan 0.000 0.432 117 K N 0.539 120.943 120.400 0.006 0.000 1.965 117 K HA -0.212 4.108 4.320 0.000 0.000 0.214 117 K C 2.218 178.821 176.600 0.005 0.000 1.046 117 K CA 1.552 57.842 56.287 0.006 0.000 0.944 117 K CB -0.089 32.415 32.500 0.006 0.000 0.726 117 K HN 0.088 nan 8.250 nan 0.000 0.441 118 R N -0.453 120.050 120.500 0.005 0.000 2.159 118 R HA -0.210 4.130 4.340 0.000 0.000 0.252 118 R C 2.459 178.762 176.300 0.005 0.000 1.144 118 R CA 1.757 57.860 56.100 0.005 0.000 0.961 118 R CB -0.892 29.411 30.300 0.005 0.000 0.877 118 R HN 0.497 nan 8.270 nan 0.000 0.444 119 G N 0.676 109.479 108.800 0.005 0.000 2.403 119 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 119 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 119 G C 1.459 176.363 174.900 0.006 0.000 1.154 119 G CA 0.431 45.534 45.100 0.005 0.000 0.784 119 G HN 0.182 nan 8.290 nan 0.000 0.538 120 I N 0.682 121.256 120.570 0.006 0.000 2.286 120 I HA -0.136 4.034 4.170 0.000 0.000 0.248 120 I C 2.701 178.821 176.117 0.006 0.000 1.115 120 I CA 1.072 62.375 61.300 0.006 0.000 1.392 120 I CB -0.221 37.782 38.000 0.006 0.000 1.065 120 I HN 0.289 nan 8.210 nan 0.000 0.418 121 E N 1.268 121.471 120.200 0.005 0.000 2.015 121 E HA -0.209 4.141 4.350 0.000 0.000 0.191 121 E C 2.133 178.736 176.600 0.005 0.000 0.991 121 E CA 1.066 57.468 56.400 0.005 0.000 0.802 121 E CB -0.146 29.556 29.700 0.004 0.000 0.759 121 E HN 0.438 nan 8.360 nan 0.000 0.447 122 K N 0.825 121.228 120.400 0.005 0.000 2.113 122 K HA -0.176 4.144 4.320 0.000 0.000 0.208 122 K C 2.243 178.847 176.600 0.006 0.000 1.047 122 K CA 1.178 57.469 56.287 0.005 0.000 0.928 122 K CB -0.235 32.268 32.500 0.005 0.000 0.716 122 K HN 0.078 nan 8.250 nan 0.000 0.446 123 A N 1.201 124.024 122.820 0.006 0.000 1.877 123 A HA -0.128 4.192 4.320 0.000 0.000 0.216 123 A C 2.450 180.039 177.584 0.007 0.000 1.186 123 A CA 1.472 53.513 52.037 0.007 0.000 0.620 123 A CB -0.743 18.262 19.000 0.007 0.000 0.822 123 A HN 0.070 nan 8.150 nan 0.000 0.443 124 V N 0.137 120.055 119.914 0.007 0.000 2.287 124 V HA -0.310 3.810 4.120 0.000 0.000 0.248 124 V C 2.418 178.516 176.094 0.006 0.000 1.053 124 V CA 2.394 64.698 62.300 0.007 0.000 1.027 124 V CB -0.925 30.901 31.823 0.006 0.000 0.646 124 V HN 0.644 nan 8.190 nan 0.000 0.447 125 E N 0.167 120.370 120.200 0.006 0.000 2.045 125 E HA -0.339 4.011 4.350 0.000 0.000 0.212 125 E C 2.327 178.931 176.600 0.007 0.000 1.039 125 E CA 1.700 58.103 56.400 0.006 0.000 0.860 125 E CB -0.485 29.218 29.700 0.005 0.000 0.776 125 E HN 0.577 nan 8.360 nan 0.000 0.467 126 A N 1.170 123.994 122.820 0.007 0.000 1.958 126 A HA -0.266 4.054 4.320 0.000 0.000 0.221 126 A C 2.333 179.922 177.584 0.009 0.000 1.178 126 A CA 2.276 54.318 52.037 0.008 0.000 0.642 126 A CB -0.780 18.225 19.000 0.008 0.000 0.816 126 A HN 0.365 nan 8.150 nan 0.000 0.453 127 A N -0.818 122.007 122.820 0.009 0.000 1.873 127 A HA 0.056 4.376 4.320 0.000 0.000 0.215 127 A C 2.245 179.835 177.584 0.009 0.000 1.186 127 A CA 1.677 53.720 52.037 0.010 0.000 0.616 127 A CB -0.965 18.041 19.000 0.010 0.000 0.823 127 A HN 0.418 nan 8.150 nan 0.000 0.442 128 V N 0.157 120.076 119.914 0.008 0.000 2.255 128 V HA -0.309 3.812 4.120 0.000 0.000 0.247 128 V C 2.524 178.622 176.094 0.008 0.000 1.051 128 V CA 2.413 64.717 62.300 0.007 0.000 1.018 128 V CB -0.856 30.971 31.823 0.006 0.000 0.641 128 V HN 0.782 nan 8.190 nan 0.000 0.445 129 E N 0.143 120.348 120.200 0.008 0.000 2.171 129 E HA -0.340 4.010 4.350 0.000 0.000 0.197 129 E C 2.119 178.724 176.600 0.009 0.000 0.997 129 E CA 1.847 58.252 56.400 0.008 0.000 0.810 129 E CB -0.046 29.659 29.700 0.007 0.000 0.738 129 E HN 0.510 nan 8.360 nan 0.000 0.467 130 K N 0.520 120.926 120.400 0.010 0.000 2.116 130 K HA -0.029 4.291 4.320 0.000 0.000 0.203 130 K C 1.825 178.432 176.600 0.012 0.000 1.052 130 K CA 1.015 57.309 56.287 0.012 0.000 0.952 130 K CB -0.161 32.347 32.500 0.014 0.000 0.729 130 K HN 0.181 nan 8.250 nan 0.000 0.446 131 I N 0.813 121.390 120.570 0.011 0.000 2.163 131 I HA -0.330 3.840 4.170 0.000 0.000 0.243 131 I C 2.116 178.239 176.117 0.009 0.000 1.085 131 I CA 1.462 62.768 61.300 0.010 0.000 1.347 131 I CB -0.309 37.696 38.000 0.008 0.000 1.044 131 I HN 0.156 nan 8.210 nan 0.000 0.408 132 K N 1.209 121.614 120.400 0.008 0.000 1.978 132 K HA -0.149 4.171 4.320 0.000 0.000 0.214 132 K C 2.145 178.750 176.600 0.009 0.000 1.049 132 K CA 1.694 57.985 56.287 0.008 0.000 0.939 132 K CB -0.443 32.061 32.500 0.007 0.000 0.721 132 K HN 0.291 nan 8.250 nan 0.000 0.441 133 A N 0.769 123.594 122.820 0.009 0.000 2.272 133 A HA -0.113 4.207 4.320 0.000 0.000 0.213 133 A C 1.724 179.315 177.584 0.012 0.000 1.183 133 A CA 1.046 53.089 52.037 0.010 0.000 0.719 133 A CB -0.210 18.796 19.000 0.010 0.000 0.771 133 A HN 0.231 nan 8.150 nan 0.000 0.484 134 L N -2.131 119.100 121.223 0.012 0.000 2.731 134 L HA 0.503 4.843 4.340 0.000 0.000 0.240 134 L C 1.063 177.940 176.870 0.013 0.000 1.120 134 L CA 0.607 55.456 54.840 0.015 0.000 0.913 134 L CB -0.069 42.000 42.059 0.017 0.000 1.213 134 L HN 0.243 nan 8.230 nan 0.000 0.515 135 A N 0.121 122.947 122.820 0.010 0.000 2.340 135 A HA 0.567 4.887 4.320 0.000 0.000 0.268 135 A C -0.259 177.330 177.584 0.008 0.000 1.100 135 A CA -0.278 51.764 52.037 0.008 0.000 0.803 135 A CB 0.095 19.099 19.000 0.006 0.000 1.043 135 A HN 0.186 nan 8.150 nan 0.000 0.488 136 I N 2.576 123.150 120.570 0.006 0.000 2.336 136 I HA 0.284 4.454 4.170 0.000 0.000 0.292 136 I C -2.271 173.849 176.117 0.004 0.000 0.991 136 I CA -2.031 59.272 61.300 0.006 0.000 1.227 136 I CB 1.866 39.870 38.000 0.006 0.000 1.366 136 I HN 0.401 nan 8.210 nan 0.000 0.466 137 P HA 0.113 nan 4.420 nan 0.000 0.271 137 P C -0.808 176.493 177.300 0.002 0.000 1.216 137 P CA -0.157 62.945 63.100 0.003 0.000 0.776 137 P CB 0.818 32.520 31.700 0.003 0.000 0.881 138 V N 4.060 123.974 119.914 0.001 0.000 2.305 138 V HA 0.207 4.327 4.120 0.000 0.000 0.275 138 V C 0.579 176.672 176.094 -0.001 0.000 1.020 138 V CA 0.136 62.435 62.300 -0.001 0.000 0.811 138 V CB 0.530 32.352 31.823 -0.002 0.000 1.031 138 V HN 0.624 nan 8.190 nan 0.000 0.439 139 E N 0.785 120.985 120.200 0.000 0.000 2.603 139 E HA 0.134 4.484 4.350 0.000 0.000 0.218 139 E C -0.131 176.470 176.600 0.001 0.000 0.878 139 E CA -0.415 55.985 56.400 0.001 0.000 1.348 139 E CB 0.834 30.535 29.700 0.002 0.000 1.318 139 E HN 0.607 nan 8.360 nan 0.000 0.673 140 D N 1.295 121.695 120.400 0.001 0.000 2.372 140 D HA 0.001 4.641 4.640 0.000 0.000 0.243 140 D C 1.160 177.460 176.300 -0.000 0.000 1.297 140 D CA 0.206 54.206 54.000 0.000 0.000 0.958 140 D CB 1.017 41.817 40.800 0.000 0.000 1.114 140 D HN -0.067 nan 8.370 nan 0.000 0.496 141 R N 0.862 121.362 120.500 -0.000 0.000 2.055 141 R HA -0.050 4.290 4.340 0.000 0.000 0.226 141 R C 1.756 178.054 176.300 -0.002 0.000 1.135 141 R CA 1.511 57.610 56.100 -0.001 0.000 0.959 141 R CB -0.194 30.106 30.300 -0.000 0.000 0.854 141 R HN 0.256 nan 8.270 nan 0.000 0.431 142 K N 0.349 120.747 120.400 -0.002 0.000 2.057 142 K HA -0.061 4.259 4.320 0.000 0.000 0.207 142 K C 2.086 178.683 176.600 -0.004 0.000 1.049 142 K CA 1.400 57.685 56.287 -0.003 0.000 0.931 142 K CB -0.323 32.176 32.500 -0.002 0.000 0.714 142 K HN 0.282 nan 8.250 nan 0.000 0.440 143 A N 2.157 124.975 122.820 -0.003 0.000 1.848 143 A HA -0.233 4.087 4.320 0.000 0.000 0.217 143 A C 2.150 179.731 177.584 -0.005 0.000 1.220 143 A CA 1.834 53.869 52.037 -0.003 0.000 0.645 143 A CB -1.009 17.990 19.000 -0.002 0.000 0.842 143 A HN 0.222 nan 8.150 nan 0.000 0.451 144 I N -0.598 119.969 120.570 -0.005 0.000 2.236 144 I HA -0.334 3.836 4.170 0.000 0.000 0.249 144 I C 2.631 178.741 176.117 -0.012 0.000 1.102 144 I CA 2.088 63.383 61.300 -0.008 0.000 1.365 144 I CB -0.483 37.513 38.000 -0.006 0.000 1.051 144 I HN 0.609 nan 8.210 nan 0.000 0.420 145 E N 1.073 121.266 120.200 -0.011 0.000 2.028 145 E HA -0.220 4.130 4.350 0.000 0.000 0.191 145 E C 2.071 178.661 176.600 -0.016 0.000 0.988 145 E CA 1.187 57.577 56.400 -0.016 0.000 0.799 145 E CB 0.059 29.750 29.700 -0.014 0.000 0.755 145 E HN 0.492 nan 8.360 nan 0.000 0.447 146 E N 0.090 120.283 120.200 -0.011 0.000 2.058 146 E HA -0.205 4.145 4.350 0.000 0.000 0.194 146 E C 2.235 178.830 176.600 -0.009 0.000 0.997 146 E CA 1.450 57.845 56.400 -0.009 0.000 0.801 146 E CB -0.051 29.645 29.700 -0.006 0.000 0.746 146 E HN 0.128 nan 8.360 nan 0.000 0.450 147 V N 1.570 121.479 119.914 -0.009 0.000 2.219 147 V HA -0.343 3.777 4.120 0.000 0.000 0.248 147 V C 2.402 178.490 176.094 -0.009 0.000 1.053 147 V CA 2.144 64.439 62.300 -0.009 0.000 1.009 147 V CB -0.879 30.939 31.823 -0.009 0.000 0.636 147 V HN 0.380 nan 8.190 nan 0.000 0.445 148 A N -0.592 122.219 122.820 -0.014 0.000 1.908 148 A HA -0.264 4.056 4.320 0.000 0.000 0.218 148 A C 2.362 179.938 177.584 -0.014 0.000 1.181 148 A CA 2.647 54.673 52.037 -0.017 0.000 0.627 148 A CB -1.114 17.867 19.000 -0.031 0.000 0.818 148 A HN 0.550 nan 8.150 nan 0.000 0.445 149 T N 0.471 115.015 114.554 -0.016 0.000 2.699 149 T HA -0.158 4.192 4.350 0.000 0.000 0.268 149 T C 1.776 176.479 174.700 0.005 0.000 1.036 149 T CA 1.686 63.779 62.100 -0.012 0.000 1.147 149 T CB -0.457 68.404 68.868 -0.012 0.000 0.862 149 T HN 0.480 nan 8.240 nan 0.000 0.446 150 I N 1.627 122.198 120.570 0.003 0.000 2.162 150 I HA -0.145 4.025 4.170 0.000 0.000 0.238 150 I C 2.691 178.816 176.117 0.014 0.000 1.076 150 I CA 1.277 62.580 61.300 0.005 0.000 1.353 150 I CB -0.632 37.367 38.000 -0.003 0.000 1.063 150 I HN 0.236 nan 8.210 nan 0.000 0.408 151 S N 1.274 116.981 115.700 0.010 0.000 2.462 151 S HA -0.120 4.350 4.470 0.000 0.000 0.243 151 S C 1.806 176.433 174.600 0.045 0.000 1.003 151 S CA 1.093 59.302 58.200 0.015 0.000 0.970 151 S CB -0.439 62.764 63.200 0.004 0.000 0.762 151 S HN 0.537 nan 8.310 nan 0.000 0.510 152 A N 1.346 124.208 122.820 0.070 0.000 2.108 152 A HA 0.351 4.671 4.320 0.000 0.000 0.206 152 A C 0.906 178.586 177.584 0.160 0.000 1.212 152 A CA 0.259 52.392 52.037 0.161 0.000 0.843 152 A CB -0.366 18.723 19.000 0.149 0.000 0.902 152 A HN 0.563 nan 8.150 nan 0.000 0.477 153 N N 0.069 118.821 118.700 0.087 0.000 2.780 153 N HA -0.165 4.575 4.740 0.000 0.000 0.247 153 N C -1.439 174.129 175.510 0.097 0.000 1.076 153 N CA 0.755 53.847 53.050 0.070 0.000 0.688 153 N CB -0.628 37.893 38.487 0.057 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.719 119.727 120.400 0.078 0.000 2.369 154 D HA 0.118 4.758 4.640 0.000 0.000 0.212 154 D C -1.995 174.304 176.300 -0.002 0.000 1.326 154 D CA -0.923 53.114 54.000 0.060 0.000 0.933 154 D CB 1.486 42.358 40.800 0.120 0.000 1.516 154 D HN 0.027 nan 8.370 nan 0.000 0.557 155 P HA -0.122 nan 4.420 nan 0.000 0.220 155 P C 0.885 178.161 177.300 -0.039 0.000 1.148 155 P CA 0.994 64.083 63.100 -0.018 0.000 0.803 155 P CB 0.858 32.554 31.700 -0.008 0.000 0.782 156 E N 0.123 120.294 120.200 -0.048 0.000 2.016 156 E HA -0.078 4.272 4.350 0.000 0.000 0.190 156 E C 2.193 178.715 176.600 -0.130 0.000 0.985 156 E CA 1.034 57.392 56.400 -0.070 0.000 0.802 156 E CB -0.696 28.969 29.700 -0.058 0.000 0.762 156 E HN 0.019 nan 8.360 nan 0.000 0.448 157 V N 1.496 121.276 119.914 -0.223 0.000 2.568 157 V HA -0.215 3.905 4.120 0.000 0.000 0.253 157 V C 2.313 178.269 176.094 -0.229 0.000 1.072 157 V CA 1.861 63.933 62.300 -0.379 0.000 1.084 157 V CB -1.184 30.158 31.823 -0.802 0.000 0.676 157 V HN 0.416 nan 8.190 nan 0.000 0.469 158 G N -0.263 108.454 108.800 -0.139 0.000 2.433 158 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 158 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 158 G C 1.689 176.547 174.900 -0.070 0.000 1.186 158 G CA 0.643 45.693 45.100 -0.084 0.000 0.779 158 G HN 0.344 nan 8.290 nan 0.000 0.543 159 K N 0.294 120.656 120.400 -0.063 0.000 1.991 159 K HA -0.008 4.312 4.320 0.000 0.000 0.212 159 K C 2.629 179.203 176.600 -0.043 0.000 1.049 159 K CA 0.884 57.146 56.287 -0.042 0.000 0.932 159 K CB -0.922 31.558 32.500 -0.035 0.000 0.717 159 K HN 0.340 nan 8.250 nan 0.000 0.441 160 L N 0.716 121.898 121.223 -0.069 0.000 1.997 160 L HA -0.251 4.089 4.340 0.000 0.000 0.216 160 L C 2.548 179.378 176.870 -0.066 0.000 1.074 160 L CA 1.470 56.270 54.840 -0.066 0.000 0.763 160 L CB -0.620 41.369 42.059 -0.117 0.000 0.890 160 L HN 0.173 nan 8.230 nan 0.000 0.434 161 I N -0.275 120.237 120.570 -0.096 0.000 2.208 161 I HA -0.315 3.855 4.170 0.000 0.000 0.245 161 I C 2.819 178.910 176.117 -0.044 0.000 1.097 161 I CA 1.204 62.455 61.300 -0.080 0.000 1.363 161 I CB -0.533 37.416 38.000 -0.086 0.000 1.051 161 I HN 0.256 nan 8.210 nan 0.000 0.413 162 A N 0.811 123.612 122.820 -0.032 0.000 1.858 162 A HA -0.230 4.090 4.320 0.000 0.000 0.216 162 A C 2.015 179.607 177.584 0.012 0.000 1.190 162 A CA 2.048 54.078 52.037 -0.011 0.000 0.617 162 A CB -0.654 18.339 19.000 -0.012 0.000 0.827 162 A HN 0.355 nan 8.150 nan 0.000 0.443 163 D N 0.262 120.678 120.400 0.026 0.000 2.092 163 D HA -0.132 4.508 4.640 0.000 0.000 0.193 163 D C 2.273 178.653 176.300 0.134 0.000 0.994 163 D CA 1.687 55.734 54.000 0.079 0.000 0.828 163 D CB -0.672 40.186 40.800 0.097 0.000 0.963 163 D HN 0.418 nan 8.370 nan 0.000 0.450 164 A N 1.073 123.939 122.820 0.076 0.000 1.927 164 A HA -0.240 4.080 4.320 0.000 0.000 0.220 164 A C 2.323 179.923 177.584 0.027 0.000 1.185 164 A CA 1.962 53.997 52.037 -0.003 0.000 0.639 164 A CB -0.642 18.277 19.000 -0.135 0.000 0.820 164 A HN 0.195 nan 8.150 nan 0.000 0.451 165 M N -1.327 118.282 119.600 0.016 0.000 2.156 165 M HA -0.103 4.377 4.480 0.000 0.000 0.264 165 M C 2.080 178.407 176.300 0.044 0.000 1.067 165 M CA 1.203 56.513 55.300 0.016 0.000 1.131 165 M CB -0.513 32.087 32.600 0.000 0.000 1.368 165 M HN 0.383 nan 8.290 nan 0.000 0.416 166 E N 1.134 121.365 120.200 0.052 0.000 2.086 166 E HA -0.230 4.120 4.350 0.000 0.000 0.200 166 E C 1.873 178.513 176.600 0.068 0.000 1.012 166 E CA 1.612 58.042 56.400 0.051 0.000 0.812 166 E CB -0.217 29.511 29.700 0.046 0.000 0.743 166 E HN 0.579 nan 8.360 nan 0.000 0.453 167 K N 0.019 120.496 120.400 0.128 0.000 2.078 167 K HA 0.019 4.340 4.320 0.000 0.000 0.203 167 K C 2.271 178.967 176.600 0.160 0.000 1.043 167 K CA 0.783 57.162 56.287 0.153 0.000 0.960 167 K CB -0.017 32.630 32.500 0.245 0.000 0.761 167 K HN -0.078 nan 8.250 nan 0.000 0.448 168 V N 0.949 120.974 119.914 0.185 0.000 2.759 168 V HA -0.031 4.089 4.120 0.000 0.000 0.256 168 V C 1.049 177.177 176.094 0.058 0.000 1.080 168 V CA 1.029 63.396 62.300 0.112 0.000 1.101 168 V CB -1.202 30.652 31.823 0.051 0.000 0.698 168 V HN 0.648 nan 8.190 nan 0.000 0.477 169 G N 0.005 108.833 108.800 0.047 0.000 2.756 169 G HA2 -0.201 3.759 3.960 0.000 0.000 0.678 169 G HA3 -0.201 3.759 3.960 0.000 0.000 0.678 169 G C 0.264 175.171 174.900 0.012 0.000 1.349 169 G CA 0.086 45.202 45.100 0.027 0.000 0.847 169 G HN 0.200 nan 8.290 nan 0.000 0.548 170 K N 0.236 120.641 120.400 0.007 0.000 1.991 170 K HA -0.101 4.219 4.320 0.000 0.000 0.212 170 K C 1.866 178.463 176.600 -0.004 0.000 1.049 170 K CA 1.980 58.268 56.287 0.001 0.000 0.932 170 K CB -0.101 32.400 32.500 0.001 0.000 0.717 170 K HN 0.634 nan 8.250 nan 0.000 0.441 171 E N 0.792 120.990 120.200 -0.003 0.000 2.416 171 E HA 0.044 4.394 4.350 0.000 0.000 0.189 171 E C 0.649 177.242 176.600 -0.011 0.000 1.091 171 E CA -0.452 55.943 56.400 -0.009 0.000 0.889 171 E CB 0.383 30.078 29.700 -0.008 0.000 1.015 171 E HN 0.280 nan 8.360 nan 0.000 0.479 172 G N 0.883 109.679 108.800 -0.006 0.000 2.535 172 G HA2 0.440 4.400 3.960 0.000 0.000 0.282 172 G HA3 0.440 4.400 3.960 0.000 0.000 0.282 172 G C -0.144 174.742 174.900 -0.024 0.000 1.350 172 G CA -0.589 44.508 45.100 -0.006 0.000 1.039 172 G HN 0.058 nan 8.290 nan 0.000 0.509 173 I N 0.232 120.785 120.570 -0.029 0.000 2.406 173 I HA 0.425 4.595 4.170 0.000 0.000 0.290 173 I C -0.572 175.502 176.117 -0.071 0.000 0.999 173 I CA -0.264 61.008 61.300 -0.047 0.000 1.124 173 I CB 1.727 39.702 38.000 -0.042 0.000 1.289 173 I HN 0.143 nan 8.210 nan 0.000 0.441 174 I N 4.864 125.389 120.570 -0.075 0.000 2.686 174 I HA 0.547 4.717 4.170 0.000 0.000 0.295 174 I C -0.663 175.407 176.117 -0.078 0.000 1.114 174 I CA -0.366 60.874 61.300 -0.100 0.000 1.038 174 I CB 2.627 40.570 38.000 -0.094 0.000 1.238 174 I HN 0.471 nan 8.210 nan 0.000 0.420 175 T N 3.575 118.079 114.554 -0.084 0.000 2.868 175 T HA 0.503 4.853 4.350 0.000 0.000 0.306 175 T C -0.969 173.704 174.700 -0.045 0.000 1.224 175 T CA -0.567 61.500 62.100 -0.054 0.000 1.012 175 T CB 2.632 71.473 68.868 -0.044 0.000 1.221 175 T HN 0.191 nan 8.240 nan 0.000 0.499 176 V N 2.597 122.503 119.914 -0.014 0.000 2.409 176 V HA 0.524 4.644 4.120 0.000 0.000 0.291 176 V C -0.552 175.554 176.094 0.021 0.000 1.020 176 V CA -0.727 61.583 62.300 0.016 0.000 0.848 176 V CB 1.537 33.394 31.823 0.057 0.000 0.990 176 V HN 0.744 nan 8.190 nan 0.000 0.430 177 E N 2.885 123.098 120.200 0.021 0.000 2.227 177 E HA 0.430 4.780 4.350 0.000 0.000 0.268 177 E C -0.686 175.934 176.600 0.033 0.000 0.907 177 E CA -0.930 55.482 56.400 0.019 0.000 0.786 177 E CB 2.265 31.968 29.700 0.005 0.000 1.191 177 E HN 0.617 nan 8.360 nan 0.000 0.411 178 E N 0.983 121.199 120.200 0.027 0.000 1.858 178 E HA 0.092 4.442 4.350 0.000 0.000 0.267 178 E C 0.180 176.793 176.600 0.023 0.000 1.215 178 E CA 0.001 56.418 56.400 0.027 0.000 0.952 178 E CB 0.398 30.108 29.700 0.018 0.000 1.058 178 E HN 0.261 nan 8.360 nan 0.000 0.407 179 S N 2.600 118.318 115.700 0.030 0.000 2.612 179 S HA 0.021 4.491 4.470 0.000 0.000 0.253 179 S C 0.904 175.515 174.600 0.019 0.000 1.346 179 S CA 0.072 58.286 58.200 0.023 0.000 0.976 179 S CB 0.629 63.846 63.200 0.029 0.000 0.949 179 S HN 0.508 nan 8.310 nan 0.000 0.584 180 K N 0.125 120.534 120.400 0.015 0.000 2.399 180 K HA 0.145 4.465 4.320 0.000 0.000 0.196 180 K C 0.560 177.168 176.600 0.014 0.000 1.103 180 K CA 0.086 56.380 56.287 0.012 0.000 0.986 180 K CB 0.248 32.752 32.500 0.007 0.000 0.952 180 K HN 0.645 nan 8.250 nan 0.000 0.541 181 S N 0.880 116.589 115.700 0.016 0.000 2.585 181 S HA 0.164 4.634 4.470 0.000 0.000 0.273 181 S C 0.908 175.522 174.600 0.023 0.000 1.339 181 S CA -0.529 57.681 58.200 0.017 0.000 1.028 181 S CB 0.580 63.791 63.200 0.018 0.000 0.906 181 S HN 0.152 nan 8.310 nan 0.000 0.528 182 L N 0.330 121.565 121.223 0.021 0.000 2.645 182 L HA 0.308 4.648 4.340 0.000 0.000 0.234 182 L C 0.581 177.470 176.870 0.032 0.000 1.165 182 L CA 0.344 55.198 54.840 0.025 0.000 0.944 182 L CB -0.831 41.239 42.059 0.019 0.000 1.149 182 L HN 0.712 nan 8.230 nan 0.000 0.446 183 E N -0.391 119.829 120.200 0.033 0.000 2.288 183 E HA 0.363 4.713 4.350 0.000 0.000 0.268 183 E C -0.745 175.879 176.600 0.040 0.000 0.885 183 E CA -0.555 55.866 56.400 0.035 0.000 0.767 183 E CB 2.286 32.000 29.700 0.023 0.000 1.220 183 E HN -0.121 nan 8.360 nan 0.000 0.427 184 T N 2.526 117.105 114.554 0.041 0.000 2.767 184 T HA 0.316 4.666 4.350 0.000 0.000 0.288 184 T C -0.516 174.182 174.700 -0.003 0.000 0.963 184 T CA -0.462 61.656 62.100 0.031 0.000 1.019 184 T CB 0.645 69.531 68.868 0.030 0.000 0.923 184 T HN 0.365 nan 8.240 nan 0.000 0.468 185 E N 1.459 121.657 120.200 -0.004 0.000 2.410 185 E HA 0.643 4.993 4.350 0.000 0.000 0.269 185 E C -1.417 175.175 176.600 -0.013 0.000 0.937 185 E CA -1.120 55.278 56.400 -0.004 0.000 0.793 185 E CB 1.912 31.620 29.700 0.013 0.000 1.314 185 E HN 0.266 nan 8.360 nan 0.000 0.447 186 L N 1.219 122.447 121.223 0.008 0.000 2.325 186 L HA 0.485 4.825 4.340 0.000 0.000 0.281 186 L C -1.524 175.394 176.870 0.079 0.000 1.004 186 L CA -0.224 54.618 54.840 0.003 0.000 0.823 186 L CB 0.747 42.824 42.059 0.030 0.000 1.236 186 L HN 0.429 nan 8.230 nan 0.000 0.415 187 K N 5.083 125.496 120.400 0.021 0.000 2.378 187 K HA 0.502 4.822 4.320 0.000 0.000 0.252 187 K C -1.439 175.201 176.600 0.066 0.000 0.931 187 K CA -0.381 55.979 56.287 0.121 0.000 0.794 187 K CB 1.947 34.483 32.500 0.060 0.000 1.181 187 K HN 0.307 nan 8.250 nan 0.000 0.425 188 F N 2.321 122.268 119.950 -0.004 0.000 2.359 188 F HA 0.193 4.720 4.527 0.000 0.000 0.355 188 F C 0.347 176.149 175.800 0.003 0.000 1.132 188 F CA -0.817 57.182 58.000 -0.001 0.000 1.246 188 F CB 0.186 39.185 39.000 -0.002 0.000 1.569 188 F HN 0.139 nan 8.300 nan 0.000 0.561 189 V N 1.030 121.000 119.914 0.095 0.000 3.641 189 V HA 0.218 4.338 4.120 0.000 0.000 0.286 189 V C 0.551 176.688 176.094 0.072 0.000 1.027 189 V CA -0.806 61.536 62.300 0.070 0.000 1.032 189 V CB 0.795 32.636 31.823 0.031 0.000 1.238 189 V HN 0.326 nan 8.190 nan 0.000 0.439 190 E N 0.193 120.427 120.200 0.056 0.000 2.222 190 E HA 0.727 5.077 4.350 0.000 0.000 0.272 190 E C 0.075 176.711 176.600 0.059 0.000 0.982 190 E CA 0.115 56.550 56.400 0.058 0.000 0.842 190 E CB 1.754 31.480 29.700 0.043 0.000 1.144 190 E HN 0.938 nan 8.360 nan 0.000 0.397 191 G N 0.132 108.984 108.800 0.085 0.000 2.321 191 G HA2 0.315 4.276 3.960 0.000 0.000 0.296 191 G HA3 0.315 4.276 3.960 0.000 0.000 0.296 191 G C -2.142 172.892 174.900 0.224 0.000 1.287 191 G CA -0.582 44.588 45.100 0.116 0.000 0.846 191 G HN 0.314 nan 8.290 nan 0.000 0.508 192 Y N -0.404 119.920 120.300 0.041 0.000 2.744 192 Y HA 0.797 5.347 4.550 0.000 0.000 0.330 192 Y C -1.049 174.915 175.900 0.107 0.000 1.263 192 Y CA -0.683 57.452 58.100 0.058 0.000 1.065 192 Y CB 2.414 40.899 38.460 0.041 0.000 1.306 192 Y HN 0.795 nan 8.280 nan 0.000 0.459 193 Q N 3.040 122.731 119.800 -0.182 0.000 2.429 193 Q HA 0.426 4.766 4.340 0.000 0.000 0.247 193 Q C -2.159 173.804 176.000 -0.062 0.000 0.915 193 Q CA -0.464 55.319 55.803 -0.033 0.000 0.971 193 Q CB 1.467 30.156 28.738 -0.082 0.000 1.468 193 Q HN 0.587 nan 8.270 nan 0.000 0.439 194 F N 0.110 119.952 119.950 -0.181 0.000 2.611 194 F HA 0.637 5.164 4.527 0.000 0.000 0.324 194 F C -0.308 175.440 175.800 -0.087 0.000 1.061 194 F CA -1.164 56.748 58.000 -0.147 0.000 0.954 194 F CB 1.295 40.251 39.000 -0.073 0.000 1.301 194 F HN 0.225 nan 8.300 nan 0.000 0.482 195 D N 3.028 123.410 120.400 -0.031 0.000 2.619 195 D HA 0.226 4.866 4.640 0.000 0.000 0.224 195 D C -0.471 175.753 176.300 -0.127 0.000 1.133 195 D CA 0.222 54.159 54.000 -0.105 0.000 1.017 195 D CB 0.278 41.070 40.800 -0.013 0.000 1.077 195 D HN 0.338 nan 8.370 nan 0.000 0.503 196 K N 0.154 120.361 120.400 -0.321 0.000 2.546 196 K HA 0.637 4.957 4.320 0.000 0.000 0.264 196 K C 0.059 176.457 176.600 -0.338 0.000 0.937 196 K CA -0.814 55.332 56.287 -0.236 0.000 0.833 196 K CB 2.774 35.212 32.500 -0.103 0.000 1.378 196 K HN 0.267 nan 8.250 nan 0.000 0.432 197 G N 0.178 108.839 108.800 -0.232 0.000 3.140 197 G HA2 0.515 4.475 3.960 0.000 0.000 0.271 197 G HA3 0.515 4.475 3.960 0.000 0.000 0.271 197 G C -1.103 173.719 174.900 -0.130 0.000 1.370 197 G CA -0.727 44.196 45.100 -0.294 0.000 1.014 197 G HN 0.448 nan 8.290 nan 0.000 0.541 198 Y N -0.163 120.178 120.300 0.069 0.000 2.729 198 Y HA 0.221 4.771 4.550 0.000 0.000 0.331 198 Y C 1.435 177.447 175.900 0.186 0.000 1.208 198 Y CA -0.928 57.288 58.100 0.194 0.000 1.521 198 Y CB -0.118 38.501 38.460 0.265 0.000 1.233 198 Y HN 0.276 nan 8.280 nan 0.000 0.539 199 I N 1.498 122.327 120.570 0.431 0.000 2.567 199 I HA -0.186 3.984 4.170 0.000 0.000 0.257 199 I C 0.942 177.184 176.117 0.208 0.000 1.184 199 I CA 1.514 62.988 61.300 0.289 0.000 1.451 199 I CB -0.142 38.035 38.000 0.296 0.000 1.089 199 I HN 0.685 nan 8.210 nan 0.000 0.441 200 S N -0.117 115.678 115.700 0.158 0.000 2.614 200 S HA 0.333 4.803 4.470 0.000 0.000 0.275 200 S C -1.973 172.540 174.600 -0.146 0.000 1.161 200 S CA -1.300 56.834 58.200 -0.110 0.000 0.969 200 S CB 1.712 64.589 63.200 -0.538 0.000 1.059 200 S HN -0.151 nan 8.310 nan 0.000 0.482 201 P HA -0.086 nan 4.420 nan 0.000 0.226 201 P C 0.542 177.561 177.300 -0.468 0.000 1.146 201 P CA 0.877 63.770 63.100 -0.344 0.000 0.773 201 P CB -0.160 31.459 31.700 -0.134 0.000 0.772 202 Y N -1.449 118.586 120.300 -0.441 0.000 2.509 202 Y HA 0.059 4.609 4.550 0.000 0.000 0.293 202 Y C 2.180 177.935 175.900 -0.241 0.000 1.133 202 Y CA 0.588 58.481 58.100 -0.345 0.000 1.283 202 Y CB -1.234 37.021 38.460 -0.342 0.000 1.001 202 Y HN -0.083 nan 8.280 nan 0.000 0.555 203 F N -1.128 118.769 119.950 -0.088 0.000 2.748 203 F HA -0.001 4.526 4.527 0.000 0.000 0.299 203 F C 0.824 176.517 175.800 -0.179 0.000 1.154 203 F CA -0.489 57.455 58.000 -0.093 0.000 1.446 203 F CB -0.043 38.935 39.000 -0.036 0.000 1.112 203 F HN -0.303 nan 8.300 nan 0.000 0.584 204 V N 0.977 120.783 119.914 -0.180 0.000 2.673 204 V HA -0.127 3.993 4.120 0.000 0.000 0.303 204 V C 1.089 177.145 176.094 -0.062 0.000 1.046 204 V CA 0.847 63.032 62.300 -0.192 0.000 1.126 204 V CB 1.087 32.731 31.823 -0.298 0.000 0.934 204 V HN 0.239 nan 8.190 nan 0.000 0.487 205 T N 2.666 117.206 114.554 -0.023 0.000 2.953 205 T HA 0.004 4.354 4.350 0.000 0.000 0.247 205 T C 0.938 175.626 174.700 -0.020 0.000 1.029 205 T CA 0.509 62.605 62.100 -0.007 0.000 1.144 205 T CB -0.057 68.818 68.868 0.011 0.000 0.870 205 T HN 0.623 nan 8.240 nan 0.000 0.446 206 N N 1.590 120.281 118.700 -0.016 0.000 2.469 206 N HA 0.217 4.958 4.740 0.000 0.000 0.253 206 N C -2.439 173.053 175.510 -0.030 0.000 0.970 206 N CA -2.072 50.967 53.050 -0.018 0.000 0.940 206 N CB 2.119 40.605 38.487 -0.002 0.000 1.128 206 N HN -0.089 nan 8.380 nan 0.000 0.503 207 P HA -0.123 nan 4.420 nan 0.000 0.216 207 P C 0.661 177.939 177.300 -0.037 0.000 1.153 207 P CA 1.426 64.491 63.100 -0.059 0.000 0.858 207 P CB 0.565 32.225 31.700 -0.067 0.000 0.789 208 E N -0.769 119.414 120.200 -0.028 0.000 2.007 208 E HA -0.159 4.191 4.350 0.000 0.000 0.194 208 E C 1.997 178.595 176.600 -0.004 0.000 0.999 208 E CA 2.037 58.425 56.400 -0.020 0.000 0.811 208 E CB -1.012 28.672 29.700 -0.027 0.000 0.762 208 E HN 0.344 nan 8.360 nan 0.000 0.450 209 T N -0.920 113.638 114.554 0.007 0.000 3.072 209 T HA -0.073 4.277 4.350 0.000 0.000 0.266 209 T C 1.091 175.820 174.700 0.050 0.000 1.127 209 T CA 0.396 62.514 62.100 0.030 0.000 1.107 209 T CB 0.014 68.904 68.868 0.036 0.000 0.910 209 T HN 0.053 nan 8.240 nan 0.000 0.513 210 M N 1.014 120.639 119.600 0.041 0.000 2.461 210 M HA -0.141 4.339 4.480 0.000 0.000 0.203 210 M C -0.484 175.922 176.300 0.177 0.000 0.428 210 M CA 0.763 56.109 55.300 0.077 0.000 0.509 210 M CB -2.254 30.410 32.600 0.106 0.000 1.851 210 M HN 0.625 nan 8.290 nan 0.000 0.834 211 E N -0.454 119.819 120.200 0.121 0.000 2.281 211 E HA 0.789 5.139 4.350 0.000 0.000 0.262 211 E C -0.045 176.623 176.600 0.114 0.000 0.933 211 E CA -0.557 55.944 56.400 0.168 0.000 0.809 211 E CB 1.757 31.515 29.700 0.097 0.000 1.242 211 E HN 0.362 nan 8.360 nan 0.000 0.418 212 A N 1.511 124.422 122.820 0.152 0.000 2.323 212 A HA 0.451 4.771 4.320 0.000 0.000 0.305 212 A C -0.922 176.706 177.584 0.073 0.000 1.275 212 A CA -0.549 51.549 52.037 0.101 0.000 0.804 212 A CB 0.495 19.589 19.000 0.156 0.000 1.152 212 A HN 0.274 nan 8.150 nan 0.000 0.487 213 V N 4.424 124.364 119.914 0.043 0.000 2.347 213 V HA 0.398 4.518 4.120 0.000 0.000 0.280 213 V C -0.267 175.838 176.094 0.018 0.000 1.021 213 V CA -0.151 62.166 62.300 0.029 0.000 0.847 213 V CB 1.011 32.847 31.823 0.021 0.000 0.990 213 V HN 0.746 nan 8.190 nan 0.000 0.444 214 L N 5.076 126.307 121.223 0.013 0.000 2.333 214 L HA 0.628 4.968 4.340 0.000 0.000 0.280 214 L C -0.082 176.783 176.870 -0.009 0.000 1.004 214 L CA -0.437 54.404 54.840 0.002 0.000 0.820 214 L CB 1.972 44.031 42.059 -0.000 0.000 1.247 214 L HN 0.562 nan 8.230 nan 0.000 0.416 215 E N 2.785 122.975 120.200 -0.017 0.000 2.171 215 E HA 0.176 4.526 4.350 0.000 0.000 0.271 215 E C -1.082 175.485 176.600 -0.056 0.000 0.916 215 E CA -0.685 55.697 56.400 -0.029 0.000 0.774 215 E CB 1.437 31.125 29.700 -0.019 0.000 1.128 215 E HN 0.493 nan 8.360 nan 0.000 0.403 216 D N 1.575 121.926 120.400 -0.080 0.000 2.812 216 D HA -0.185 4.455 4.640 0.000 0.000 0.237 216 D C -1.154 175.016 176.300 -0.218 0.000 1.162 216 D CA 0.875 54.790 54.000 -0.142 0.000 0.740 216 D CB -0.545 40.184 40.800 -0.118 0.000 1.000 216 D HN 0.476 nan 8.370 nan 0.000 0.416 217 A N 0.579 123.274 122.820 -0.209 0.000 2.350 217 A HA 0.774 5.094 4.320 0.000 0.000 0.318 217 A C -0.187 177.217 177.584 -0.299 0.000 1.132 217 A CA -0.640 51.270 52.037 -0.212 0.000 0.811 217 A CB 0.981 19.950 19.000 -0.052 0.000 1.313 217 A HN 0.089 nan 8.150 nan 0.000 0.454 218 F N -0.300 119.650 119.950 0.001 0.000 2.370 218 F HA 0.517 5.044 4.527 0.000 0.000 0.324 218 F C 0.480 176.282 175.800 0.003 0.000 1.116 218 F CA -0.037 57.964 58.000 0.002 0.000 1.123 218 F CB 1.132 40.132 39.000 0.000 0.000 1.238 218 F HN 0.234 nan 8.300 nan 0.000 0.536 219 I N 4.034 124.713 120.570 0.183 0.000 2.621 219 I HA 0.135 4.306 4.170 0.000 0.000 0.276 219 I C -0.923 175.250 176.117 0.093 0.000 1.118 219 I CA -0.748 60.616 61.300 0.107 0.000 1.159 219 I CB 0.966 39.006 38.000 0.067 0.000 1.357 219 I HN 0.296 nan 8.210 nan 0.000 0.513 220 L N 7.496 128.772 121.223 0.088 0.000 2.678 220 L HA 0.222 4.563 4.340 0.000 0.000 0.276 220 L C -0.180 176.715 176.870 0.042 0.000 1.142 220 L CA 0.722 55.598 54.840 0.059 0.000 0.961 220 L CB -0.350 41.734 42.059 0.042 0.000 1.291 220 L HN 0.350 nan 8.230 nan 0.000 0.476 221 I N 6.445 127.034 120.570 0.032 0.000 2.287 221 I HA 0.238 4.408 4.170 0.000 0.000 0.290 221 I C -0.007 176.121 176.117 0.018 0.000 1.069 221 I CA -0.419 60.887 61.300 0.010 0.000 1.237 221 I CB 0.614 38.604 38.000 -0.018 0.000 1.418 221 I HN 0.334 nan 8.210 nan 0.000 0.481 222 V N 5.707 125.633 119.914 0.019 0.000 3.096 222 V HA 0.290 4.410 4.120 0.000 0.000 0.319 222 V C 0.845 176.947 176.094 0.013 0.000 1.082 222 V CA -0.326 61.989 62.300 0.024 0.000 1.022 222 V CB 2.123 33.960 31.823 0.024 0.000 1.103 222 V HN 0.812 nan 8.190 nan 0.000 0.455 223 E N -0.028 120.182 120.200 0.018 0.000 2.639 223 E HA 0.199 4.549 4.350 0.000 0.000 0.225 223 E C 0.574 177.184 176.600 0.016 0.000 0.921 223 E CA -0.170 56.237 56.400 0.011 0.000 1.184 223 E CB 0.673 30.381 29.700 0.013 0.000 1.160 223 E HN 0.618 nan 8.360 nan 0.000 0.547 224 K N 0.827 121.237 120.400 0.017 0.000 2.177 224 K HA 0.281 4.601 4.320 0.000 0.000 0.238 224 K C -0.587 176.025 176.600 0.019 0.000 1.015 224 K CA -0.583 55.713 56.287 0.015 0.000 0.922 224 K CB 1.065 33.568 32.500 0.006 0.000 1.127 224 K HN -0.216 nan 8.250 nan 0.000 0.469 225 K N 2.002 122.413 120.400 0.020 0.000 2.231 225 K HA 0.167 4.487 4.320 0.000 0.000 0.275 225 K C -0.945 175.667 176.600 0.020 0.000 1.105 225 K CA -0.390 55.912 56.287 0.026 0.000 0.931 225 K CB 1.016 33.532 32.500 0.027 0.000 1.296 225 K HN 0.283 nan 8.250 nan 0.000 0.446 226 V N 3.481 123.409 119.914 0.023 0.000 2.390 226 V HA -0.058 4.062 4.120 0.000 0.000 0.260 226 V C 1.129 177.237 176.094 0.023 0.000 1.043 226 V CA 0.503 62.813 62.300 0.017 0.000 1.047 226 V CB 0.232 32.066 31.823 0.020 0.000 1.066 226 V HN 0.825 nan 8.190 nan 0.000 0.481 227 S N 2.252 117.960 115.700 0.014 0.000 2.649 227 S HA 0.161 4.631 4.470 0.000 0.000 0.246 227 S C 0.423 175.028 174.600 0.008 0.000 1.057 227 S CA -0.402 57.808 58.200 0.016 0.000 1.051 227 S CB 0.032 63.241 63.200 0.015 0.000 1.018 227 S HN 0.622 nan 8.310 nan 0.000 0.569 228 N N 0.888 119.588 118.700 0.000 0.000 2.421 228 N HA 0.464 5.204 4.740 0.000 0.000 0.285 228 N C 0.845 176.351 175.510 -0.007 0.000 1.027 228 N CA -0.378 52.669 53.050 -0.005 0.000 0.918 228 N CB 1.684 40.163 38.487 -0.013 0.000 1.152 228 N HN -0.092 nan 8.380 nan 0.000 0.485 229 V N 3.184 123.094 119.914 -0.006 0.000 2.358 229 V HA -0.131 3.989 4.120 0.000 0.000 0.246 229 V C 2.367 178.453 176.094 -0.014 0.000 1.047 229 V CA 1.384 63.680 62.300 -0.006 0.000 1.035 229 V CB -0.682 31.138 31.823 -0.004 0.000 0.658 229 V HN 0.673 nan 8.190 nan 0.000 0.452 230 R N 1.773 122.263 120.500 -0.017 0.000 2.103 230 R HA -0.229 4.111 4.340 0.000 0.000 0.242 230 R C 2.117 178.397 176.300 -0.033 0.000 1.142 230 R CA 2.297 58.383 56.100 -0.023 0.000 0.960 230 R CB -0.664 29.622 30.300 -0.023 0.000 0.858 230 R HN 0.801 nan 8.270 nan 0.000 0.439 231 E N -0.751 119.426 120.200 -0.038 0.000 2.511 231 E HA -0.080 4.270 4.350 0.000 0.000 0.196 231 E C 1.715 178.284 176.600 -0.051 0.000 1.066 231 E CA 0.608 56.975 56.400 -0.055 0.000 0.871 231 E CB -0.091 29.573 29.700 -0.060 0.000 0.863 231 E HN 0.457 nan 8.360 nan 0.000 0.520 232 L N -0.158 121.044 121.223 -0.034 0.000 2.653 232 L HA 0.194 4.534 4.340 0.000 0.000 0.230 232 L C 1.999 178.854 176.870 -0.025 0.000 1.055 232 L CA 0.033 54.857 54.840 -0.027 0.000 0.880 232 L CB 0.131 42.182 42.059 -0.013 0.000 1.195 232 L HN 0.167 nan 8.230 nan 0.000 0.492 233 L N 1.295 122.505 121.223 -0.023 0.000 2.051 233 L HA -0.188 4.152 4.340 0.000 0.000 0.214 233 L C -0.412 176.442 176.870 -0.027 0.000 1.076 233 L CA 1.835 56.663 54.840 -0.021 0.000 0.758 233 L CB -1.739 40.310 42.059 -0.018 0.000 0.890 233 L HN 0.286 nan 8.230 nan 0.000 0.433 234 P HA -0.229 nan 4.420 nan 0.000 0.213 234 P C 1.743 179.018 177.300 -0.040 0.000 1.170 234 P CA 1.880 64.959 63.100 -0.035 0.000 0.902 234 P CB -0.053 31.624 31.700 -0.039 0.000 0.789 235 I N -1.285 119.259 120.570 -0.043 0.000 2.315 235 I HA -0.201 3.970 4.170 0.000 0.000 0.248 235 I C 2.613 178.693 176.117 -0.062 0.000 1.117 235 I CA 0.766 62.032 61.300 -0.056 0.000 1.404 235 I CB -0.788 37.185 38.000 -0.045 0.000 1.071 235 I HN -0.136 nan 8.210 nan 0.000 0.419 236 L N 0.759 121.958 121.223 -0.041 0.000 2.127 236 L HA -0.225 4.116 4.340 0.000 0.000 0.211 236 L C 2.376 179.226 176.870 -0.033 0.000 1.089 236 L CA 1.902 56.723 54.840 -0.031 0.000 0.757 236 L CB -0.558 41.491 42.059 -0.017 0.000 0.899 236 L HN 0.236 nan 8.230 nan 0.000 0.434 237 E N -1.456 118.722 120.200 -0.036 0.000 2.076 237 E HA -0.187 4.163 4.350 0.000 0.000 0.190 237 E C 2.080 178.652 176.600 -0.046 0.000 0.979 237 E CA 0.859 57.239 56.400 -0.032 0.000 0.807 237 E CB -0.039 29.645 29.700 -0.026 0.000 0.761 237 E HN 0.626 nan 8.360 nan 0.000 0.454 238 Q N 0.418 120.178 119.800 -0.068 0.000 2.061 238 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 238 Q C 2.351 178.274 176.000 -0.128 0.000 0.984 238 Q CA 1.564 57.310 55.803 -0.094 0.000 0.846 238 Q CB -0.117 28.550 28.738 -0.118 0.000 0.902 238 Q HN 0.138 nan 8.270 nan 0.000 0.421 239 V N 1.009 120.831 119.914 -0.153 0.000 2.427 239 V HA -0.263 3.857 4.120 0.000 0.000 0.248 239 V C 2.310 178.385 176.094 -0.032 0.000 1.051 239 V CA 1.610 63.814 62.300 -0.159 0.000 1.048 239 V CB -1.103 30.646 31.823 -0.123 0.000 0.666 239 V HN 0.399 nan 8.190 nan 0.000 0.456 240 A N -0.315 122.492 122.820 -0.022 0.000 1.892 240 A HA -0.320 4.000 4.320 0.000 0.000 0.218 240 A C 2.137 179.728 177.584 0.011 0.000 1.188 240 A CA 2.090 54.129 52.037 0.004 0.000 0.631 240 A CB -0.553 18.445 19.000 -0.002 0.000 0.822 240 A HN 0.636 nan 8.150 nan 0.000 0.447 241 Q N -0.866 118.933 119.800 -0.002 0.000 2.488 241 Q HA -0.052 4.288 4.340 0.000 0.000 0.211 241 Q C 1.535 177.548 176.000 0.023 0.000 0.967 241 Q CA 1.231 57.037 55.803 0.006 0.000 0.926 241 Q CB -0.229 28.506 28.738 -0.005 0.000 0.992 241 Q HN 0.685 nan 8.270 nan 0.000 0.506 242 T N -0.872 113.705 114.554 0.038 0.000 3.023 242 T HA 0.021 4.371 4.350 0.000 0.000 0.266 242 T C 1.415 176.179 174.700 0.107 0.000 1.093 242 T CA 0.911 63.069 62.100 0.096 0.000 1.129 242 T CB 0.036 69.016 68.868 0.187 0.000 0.899 242 T HN 0.600 nan 8.240 nan 0.000 0.491 243 G N 1.583 110.432 108.800 0.083 0.000 2.184 243 G HA2 -0.270 3.690 3.960 0.000 0.000 0.264 243 G HA3 -0.270 3.690 3.960 0.000 0.000 0.264 243 G C 0.146 175.093 174.900 0.078 0.000 0.975 243 G CA 0.288 45.427 45.100 0.065 0.000 0.642 243 G HN 0.476 nan 8.290 nan 0.000 0.536 244 K N 1.193 121.673 120.400 0.134 0.000 2.095 244 K HA 0.527 4.847 4.320 0.000 0.000 0.252 244 K C -2.125 174.554 176.600 0.132 0.000 0.977 244 K CA -1.672 54.689 56.287 0.123 0.000 0.900 244 K CB 1.707 34.300 32.500 0.155 0.000 1.060 244 K HN 0.094 nan 8.250 nan 0.000 0.449 245 P HA 0.203 nan 4.420 nan 0.000 0.278 245 P C -1.304 176.059 177.300 0.105 0.000 1.258 245 P CA -0.551 62.586 63.100 0.062 0.000 0.811 245 P CB 0.792 32.503 31.700 0.017 0.000 1.063 246 L N 1.706 122.971 121.223 0.070 0.000 2.410 246 L HA 0.547 4.887 4.340 0.000 0.000 0.270 246 L C -1.544 175.333 176.870 0.012 0.000 0.983 246 L CA -0.971 53.921 54.840 0.085 0.000 0.822 246 L CB 1.785 43.893 42.059 0.082 0.000 1.285 246 L HN 0.162 nan 8.230 nan 0.000 0.409 247 L N 6.152 127.396 121.223 0.034 0.000 2.298 247 L HA 0.630 4.970 4.340 0.000 0.000 0.284 247 L C -1.133 175.752 176.870 0.025 0.000 1.013 247 L CA -0.051 54.795 54.840 0.010 0.000 0.824 247 L CB 0.921 43.006 42.059 0.043 0.000 1.221 247 L HN 0.567 nan 8.230 nan 0.000 0.418 248 I N 6.331 126.895 120.570 -0.011 0.000 2.353 248 I HA 0.317 4.487 4.170 0.000 0.000 0.293 248 I C 0.038 176.186 176.117 0.051 0.000 0.992 248 I CA -0.223 61.084 61.300 0.013 0.000 1.268 248 I CB 1.383 39.374 38.000 -0.014 0.000 1.387 248 I HN 0.583 nan 8.210 nan 0.000 0.478 249 I N 6.240 126.848 120.570 0.063 0.000 2.976 249 I HA 0.308 4.478 4.170 0.000 0.000 0.328 249 I C 0.603 176.752 176.117 0.053 0.000 1.396 249 I CA -0.116 61.237 61.300 0.089 0.000 0.869 249 I CB 0.521 38.569 38.000 0.079 0.000 2.156 249 I HN 0.604 nan 8.210 nan 0.000 0.595 250 A N 1.631 124.485 122.820 0.055 0.000 2.267 250 A HA 0.245 4.565 4.320 0.000 0.000 0.271 250 A C 1.422 179.033 177.584 0.045 0.000 1.131 250 A CA -0.187 51.874 52.037 0.041 0.000 0.818 250 A CB 0.387 19.412 19.000 0.041 0.000 1.118 250 A HN 0.684 nan 8.150 nan 0.000 0.501 251 E N -0.933 119.288 120.200 0.034 0.000 2.347 251 E HA 0.021 4.371 4.350 0.000 0.000 0.196 251 E C -0.283 176.349 176.600 0.054 0.000 1.008 251 E CA 0.983 57.404 56.400 0.034 0.000 0.852 251 E CB 0.185 29.902 29.700 0.028 0.000 0.783 251 E HN 0.486 nan 8.360 nan 0.000 0.505 252 D N -0.730 119.706 120.400 0.059 0.000 2.751 252 D HA 0.118 4.758 4.640 0.000 0.000 0.236 252 D C -1.866 174.476 176.300 0.070 0.000 1.196 252 D CA -0.528 53.514 54.000 0.071 0.000 0.741 252 D CB 2.266 43.105 40.800 0.065 0.000 1.474 252 D HN -0.062 nan 8.370 nan 0.000 0.452 253 V N 3.502 123.469 119.914 0.088 0.000 2.443 253 V HA 0.503 4.623 4.120 0.000 0.000 0.293 253 V C 0.219 176.364 176.094 0.085 0.000 1.021 253 V CA -0.524 61.829 62.300 0.089 0.000 0.848 253 V CB 1.489 33.385 31.823 0.122 0.000 0.998 253 V HN 0.555 nan 8.190 nan 0.000 0.424 254 E N 3.246 123.482 120.200 0.060 0.000 2.442 254 E HA 0.809 5.159 4.350 0.000 0.000 0.261 254 E C 0.599 177.217 176.600 0.031 0.000 0.935 254 E CA -0.391 56.036 56.400 0.045 0.000 0.856 254 E CB 1.540 31.263 29.700 0.038 0.000 1.571 254 E HN 0.898 nan 8.360 nan 0.000 0.431 255 G N 1.009 109.819 108.800 0.018 0.000 2.627 255 G HA2 -0.443 3.517 3.960 0.000 0.000 0.312 255 G HA3 -0.443 3.517 3.960 0.000 0.000 0.312 255 G C 0.743 175.647 174.900 0.007 0.000 1.299 255 G CA 0.966 46.071 45.100 0.008 0.000 0.989 255 G HN 0.752 nan 8.290 nan 0.000 0.547 256 E N 0.282 120.484 120.200 0.005 0.000 2.070 256 E HA -0.127 4.223 4.350 0.000 0.000 0.197 256 E C 3.079 179.688 176.600 0.014 0.000 1.004 256 E CA 1.668 58.070 56.400 0.004 0.000 0.805 256 E CB -0.383 29.318 29.700 0.001 0.000 0.744 256 E HN 0.770 nan 8.360 nan 0.000 0.451 257 A N 1.527 124.359 122.820 0.021 0.000 1.869 257 A HA -0.243 4.077 4.320 0.000 0.000 0.218 257 A C 2.241 179.861 177.584 0.061 0.000 1.203 257 A CA 1.773 53.830 52.037 0.034 0.000 0.638 257 A CB -0.849 18.171 19.000 0.033 0.000 0.831 257 A HN 0.252 nan 8.150 nan 0.000 0.450 258 L N -0.510 120.756 121.223 0.071 0.000 2.083 258 L HA -0.044 4.296 4.340 0.000 0.000 0.209 258 L C 2.697 179.611 176.870 0.073 0.000 1.083 258 L CA 2.185 57.093 54.840 0.113 0.000 0.752 258 L CB -0.905 41.206 42.059 0.087 0.000 0.899 258 L HN 0.395 nan 8.230 nan 0.000 0.433 259 A N -1.491 121.339 122.820 0.016 0.000 1.858 259 A HA -0.213 4.107 4.320 0.000 0.000 0.216 259 A C 2.258 179.843 177.584 0.001 0.000 1.190 259 A CA 2.401 54.423 52.037 -0.025 0.000 0.617 259 A CB -1.266 17.715 19.000 -0.032 0.000 0.827 259 A HN 0.493 nan 8.150 nan 0.000 0.443 260 T N 0.669 115.236 114.554 0.022 0.000 2.684 260 T HA -0.135 4.215 4.350 0.000 0.000 0.267 260 T C 1.840 176.578 174.700 0.063 0.000 1.036 260 T CA 1.546 63.664 62.100 0.029 0.000 1.148 260 T CB -0.490 68.392 68.868 0.024 0.000 0.863 260 T HN 0.348 nan 8.240 nan 0.000 0.436 261 L N 0.724 122.010 121.223 0.105 0.000 2.013 261 L HA -0.143 4.197 4.340 0.000 0.000 0.212 261 L C 2.694 179.730 176.870 0.276 0.000 1.073 261 L CA 1.127 56.066 54.840 0.166 0.000 0.753 261 L CB -0.765 41.418 42.059 0.207 0.000 0.890 261 L HN 0.165 nan 8.230 nan 0.000 0.432 262 V N -0.977 119.098 119.914 0.268 0.000 2.358 262 V HA -0.234 3.886 4.120 0.000 0.000 0.246 262 V C 2.396 178.533 176.094 0.072 0.000 1.047 262 V CA 1.468 63.863 62.300 0.159 0.000 1.035 262 V CB -0.299 31.427 31.823 -0.162 0.000 0.658 262 V HN 0.193 nan 8.190 nan 0.000 0.452 263 V N 0.822 120.751 119.914 0.025 0.000 2.233 263 V HA -0.270 3.850 4.120 0.000 0.000 0.247 263 V C 2.301 178.417 176.094 0.038 0.000 1.050 263 V CA 2.335 64.642 62.300 0.011 0.000 1.010 263 V CB -0.896 30.925 31.823 -0.003 0.000 0.637 263 V HN 0.587 nan 8.190 nan 0.000 0.444 264 N N 0.275 119.004 118.700 0.048 0.000 2.289 264 N HA -0.190 4.550 4.740 0.000 0.000 0.184 264 N C 1.845 177.391 175.510 0.059 0.000 1.016 264 N CA 1.398 54.475 53.050 0.045 0.000 0.872 264 N CB -0.260 38.250 38.487 0.039 0.000 0.973 264 N HN 0.437 nan 8.380 nan 0.000 0.433 265 K N 1.969 122.427 120.400 0.097 0.000 2.002 265 K HA 0.004 4.324 4.320 0.000 0.000 0.209 265 K C 1.847 178.504 176.600 0.096 0.000 1.048 265 K CA 1.117 57.477 56.287 0.122 0.000 0.930 265 K CB -0.611 32.038 32.500 0.248 0.000 0.714 265 K HN 0.129 nan 8.250 nan 0.000 0.438 266 L N 0.089 121.368 121.223 0.093 0.000 2.478 266 L HA 0.117 4.457 4.340 0.000 0.000 0.223 266 L C 2.624 179.518 176.870 0.040 0.000 1.140 266 L CA 0.535 55.416 54.840 0.069 0.000 0.842 266 L CB -0.222 41.886 42.059 0.081 0.000 0.953 266 L HN 0.193 nan 8.230 nan 0.000 0.452 267 R N 0.038 120.561 120.500 0.037 0.000 2.105 267 R HA 0.061 4.401 4.340 0.000 0.000 0.214 267 R C 1.391 177.704 176.300 0.021 0.000 1.091 267 R CA 0.976 57.090 56.100 0.024 0.000 1.007 267 R CB 0.290 30.603 30.300 0.022 0.000 0.912 267 R HN 0.304 nan 8.270 nan 0.000 0.450 268 G N -1.077 107.739 108.800 0.027 0.000 2.192 268 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 268 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 268 G C 0.735 175.648 174.900 0.022 0.000 0.999 268 G CA 0.408 45.521 45.100 0.022 0.000 0.659 268 G HN 0.359 nan 8.290 nan 0.000 0.503 269 T N -0.184 114.384 114.554 0.023 0.000 2.737 269 T HA 0.287 4.637 4.350 0.000 0.000 0.265 269 T C 0.848 175.562 174.700 0.023 0.000 1.038 269 T CA 1.446 63.559 62.100 0.021 0.000 1.144 269 T CB 0.242 69.122 68.868 0.019 0.000 0.866 269 T HN 0.472 nan 8.240 nan 0.000 0.434 270 L N 1.420 122.661 121.223 0.029 0.000 2.562 270 L HA 0.365 4.705 4.340 0.000 0.000 0.266 270 L C -0.936 175.952 176.870 0.030 0.000 0.949 270 L CA -0.738 54.119 54.840 0.028 0.000 0.879 270 L CB 1.932 44.005 42.059 0.023 0.000 1.278 270 L HN 0.117 nan 8.230 nan 0.000 0.404 271 S N 4.523 120.239 115.700 0.027 0.000 2.411 271 S HA 0.578 5.048 4.470 0.000 0.000 0.304 271 S C -0.268 174.326 174.600 -0.010 0.000 1.098 271 S CA -0.510 57.703 58.200 0.021 0.000 1.068 271 S CB 0.498 63.711 63.200 0.022 0.000 1.032 271 S HN 0.478 nan 8.310 nan 0.000 0.511 272 V N -0.191 119.690 119.914 -0.056 0.000 3.182 272 V HA 1.068 5.188 4.120 0.000 0.000 0.311 272 V C -0.165 175.681 176.094 -0.414 0.000 1.221 272 V CA -0.987 61.210 62.300 -0.171 0.000 1.060 272 V CB 1.066 32.782 31.823 -0.177 0.000 1.164 272 V HN 1.349 nan 8.190 nan 0.000 0.466 273 A N 0.054 122.518 122.820 -0.593 0.000 2.530 273 A HA 0.889 5.209 4.320 0.000 0.000 0.297 273 A C -0.568 176.669 177.584 -0.580 0.000 1.059 273 A CA 0.015 51.505 52.037 -0.912 0.000 0.782 273 A CB 0.880 19.711 19.000 -0.281 0.000 1.301 273 A HN 2.329 nan 8.150 nan 0.000 0.394 274 A N 1.674 124.127 122.820 -0.613 0.000 2.292 274 A HA 0.784 5.104 4.320 0.000 0.000 0.319 274 A C -0.509 177.164 177.584 0.148 0.000 1.206 274 A CA -0.464 51.537 52.037 -0.059 0.000 0.835 274 A CB 0.875 19.930 19.000 0.093 0.000 1.164 274 A HN 1.515 nan 8.150 nan 0.000 0.505 275 V N 2.891 122.885 119.914 0.133 0.000 2.735 275 V HA 0.323 4.444 4.120 0.000 0.000 0.310 275 V C 0.057 176.257 176.094 0.177 0.000 1.061 275 V CA -0.942 61.451 62.300 0.156 0.000 0.913 275 V CB 2.092 33.999 31.823 0.140 0.000 1.005 275 V HN 0.980 nan 8.190 nan 0.000 0.428 276 K N 1.954 122.448 120.400 0.157 0.000 2.219 276 K HA 0.591 4.911 4.320 0.000 0.000 0.258 276 K C 0.236 176.956 176.600 0.200 0.000 1.008 276 K CA -0.141 56.230 56.287 0.139 0.000 0.928 276 K CB 0.781 33.339 32.500 0.097 0.000 0.983 276 K HN 0.851 nan 8.250 nan 0.000 0.484 277 A N 3.763 126.638 122.820 0.090 0.000 2.477 277 A HA 0.198 4.518 4.320 0.000 0.000 0.246 277 A C -1.970 175.592 177.584 -0.036 0.000 1.078 277 A CA -1.151 50.891 52.037 0.009 0.000 0.770 277 A CB -0.401 18.569 19.000 -0.052 0.000 1.011 277 A HN 0.449 nan 8.150 nan 0.000 0.494 278 P HA 0.303 nan 4.420 nan 0.000 0.270 278 P C 0.763 177.919 177.300 -0.240 0.000 1.223 278 P CA 1.339 64.417 63.100 -0.036 0.000 0.785 278 P CB 0.364 31.974 31.700 -0.149 0.000 0.923 279 G N 0.724 109.323 108.800 -0.335 0.000 2.801 279 G HA2 -0.155 3.805 3.960 0.000 0.000 0.244 279 G HA3 -0.155 3.805 3.960 0.000 0.000 0.244 279 G C -1.201 173.219 174.900 -0.800 0.000 1.385 279 G CA -0.401 44.468 45.100 -0.385 0.000 0.894 279 G HN 0.450 nan 8.290 nan 0.000 0.562 280 F N -0.053 119.937 119.950 0.066 0.000 2.581 280 F HA 0.664 5.191 4.527 0.000 0.000 0.311 280 F C 0.958 176.788 175.800 0.049 0.000 1.113 280 F CA 0.604 58.638 58.000 0.057 0.000 0.935 280 F CB 1.450 40.484 39.000 0.058 0.000 1.232 280 F HN 2.010 nan 8.300 nan 0.000 0.445 281 G N 2.194 111.109 108.800 0.192 0.000 2.539 281 G HA2 -0.272 3.688 3.960 0.000 0.000 0.256 281 G HA3 -0.272 3.688 3.960 0.000 0.000 0.256 281 G C 0.551 175.499 174.900 0.079 0.000 1.233 281 G CA 0.257 45.431 45.100 0.124 0.000 0.936 281 G HN 0.603 nan 8.290 nan 0.000 0.571 282 D N 0.167 120.608 120.400 0.069 0.000 2.133 282 D HA -0.152 4.488 4.640 0.000 0.000 0.195 282 D C 2.353 178.678 176.300 0.042 0.000 0.997 282 D CA 1.718 55.746 54.000 0.046 0.000 0.840 282 D CB -0.167 40.660 40.800 0.045 0.000 0.947 282 D HN 0.366 nan 8.370 nan 0.000 0.452 283 R N 1.427 121.967 120.500 0.065 0.000 2.117 283 R HA -0.153 4.187 4.340 0.000 0.000 0.243 283 R C 2.129 178.445 176.300 0.027 0.000 1.143 283 R CA 1.479 57.616 56.100 0.061 0.000 0.968 283 R CB -0.433 29.933 30.300 0.111 0.000 0.863 283 R HN 0.145 nan 8.270 nan 0.000 0.444 284 R N 0.164 120.673 120.500 0.015 0.000 2.061 284 R HA -0.082 4.258 4.340 0.000 0.000 0.230 284 R C 2.172 178.445 176.300 -0.045 0.000 1.140 284 R CA 1.970 58.048 56.100 -0.038 0.000 0.940 284 R CB -0.329 29.942 30.300 -0.050 0.000 0.839 284 R HN 0.179 nan 8.270 nan 0.000 0.429 285 K N 0.057 120.441 120.400 -0.026 0.000 2.113 285 K HA -0.233 4.087 4.320 0.000 0.000 0.208 285 K C 1.892 178.465 176.600 -0.046 0.000 1.047 285 K CA 1.946 58.213 56.287 -0.034 0.000 0.928 285 K CB -0.034 32.457 32.500 -0.015 0.000 0.716 285 K HN 0.080 nan 8.250 nan 0.000 0.446 286 E N 0.502 120.684 120.200 -0.031 0.000 2.110 286 E HA -0.139 4.211 4.350 0.000 0.000 0.193 286 E C 1.797 178.361 176.600 -0.060 0.000 0.988 286 E CA 1.545 57.924 56.400 -0.035 0.000 0.804 286 E CB 0.007 29.700 29.700 -0.012 0.000 0.745 286 E HN 0.354 nan 8.360 nan 0.000 0.458 287 M N -0.718 118.849 119.600 -0.055 0.000 2.288 287 M HA -0.022 4.458 4.480 0.000 0.000 0.266 287 M C 2.035 178.226 176.300 -0.181 0.000 1.072 287 M CA 0.686 55.945 55.300 -0.068 0.000 1.132 287 M CB -0.045 32.556 32.600 0.003 0.000 1.386 287 M HN 0.124 nan 8.290 nan 0.000 0.432 288 L N 0.184 121.311 121.223 -0.159 0.000 2.131 288 L HA -0.226 4.114 4.340 0.000 0.000 0.210 288 L C 2.330 179.093 176.870 -0.179 0.000 1.092 288 L CA 1.352 56.084 54.840 -0.179 0.000 0.759 288 L CB -0.410 41.577 42.059 -0.119 0.000 0.903 288 L HN 0.290 nan 8.230 nan 0.000 0.435 289 K N -0.462 119.845 120.400 -0.154 0.000 2.062 289 K HA -0.134 4.187 4.320 0.000 0.000 0.205 289 K C 1.663 178.139 176.600 -0.207 0.000 1.051 289 K CA 1.126 57.327 56.287 -0.142 0.000 0.941 289 K CB -0.142 32.297 32.500 -0.102 0.000 0.719 289 K HN 0.292 nan 8.250 nan 0.000 0.440 290 D N 1.173 121.400 120.400 -0.288 0.000 2.149 290 D HA -0.165 4.475 4.640 0.000 0.000 0.198 290 D C 1.908 177.861 176.300 -0.579 0.000 0.990 290 D CA 1.165 54.893 54.000 -0.453 0.000 0.839 290 D CB -0.023 40.385 40.800 -0.654 0.000 0.948 290 D HN 0.225 nan 8.370 nan 0.000 0.460 291 I N 1.240 121.487 120.570 -0.539 0.000 2.193 291 I HA -0.201 3.969 4.170 0.000 0.000 0.240 291 I C 2.711 178.702 176.117 -0.209 0.000 1.084 291 I CA 0.769 61.837 61.300 -0.387 0.000 1.365 291 I CB -0.338 37.490 38.000 -0.287 0.000 1.064 291 I HN -0.108 nan 8.210 nan 0.000 0.410 292 A N 1.072 123.792 122.820 -0.167 0.000 1.917 292 A HA -0.254 4.066 4.320 0.000 0.000 0.219 292 A C 2.542 180.069 177.584 -0.095 0.000 1.182 292 A CA 2.226 54.202 52.037 -0.102 0.000 0.633 292 A CB -0.921 18.027 19.000 -0.087 0.000 0.819 292 A HN 0.466 nan 8.150 nan 0.000 0.448 293 A N -0.578 122.168 122.820 -0.124 0.000 1.865 293 A HA -0.057 4.263 4.320 0.000 0.000 0.217 293 A C 2.160 179.695 177.584 -0.082 0.000 1.191 293 A CA 2.058 54.035 52.037 -0.100 0.000 0.623 293 A CB -1.070 17.860 19.000 -0.116 0.000 0.826 293 A HN 0.601 nan 8.150 nan 0.000 0.444 294 V N -0.184 119.666 119.914 -0.106 0.000 2.809 294 V HA -0.129 3.991 4.120 0.000 0.000 0.256 294 V C 2.381 178.454 176.094 -0.035 0.000 1.080 294 V CA 2.098 64.362 62.300 -0.060 0.000 1.102 294 V CB -1.126 30.665 31.823 -0.053 0.000 0.705 294 V HN 0.622 nan 8.190 nan 0.000 0.475 295 T N -0.494 114.034 114.554 -0.044 0.000 2.983 295 T HA 0.314 4.664 4.350 0.000 0.000 0.250 295 T C 1.492 176.185 174.700 -0.012 0.000 1.037 295 T CA 1.105 63.193 62.100 -0.020 0.000 1.142 295 T CB 0.170 69.029 68.868 -0.015 0.000 0.876 295 T HN 0.762 nan 8.240 nan 0.000 0.455 296 G N 1.002 109.791 108.800 -0.019 0.000 2.173 296 G HA2 0.145 4.106 3.960 0.000 0.000 0.174 296 G HA3 0.145 4.106 3.960 0.000 0.000 0.174 296 G C 0.158 175.060 174.900 0.004 0.000 1.025 296 G CA -0.317 44.778 45.100 -0.008 0.000 0.706 296 G HN 0.852 nan 8.290 nan 0.000 0.499 297 G N -1.489 107.307 108.800 -0.006 0.000 3.211 297 G HA2 0.912 4.872 3.960 0.000 0.000 0.262 297 G HA3 0.912 4.872 3.960 0.000 0.000 0.262 297 G C -0.654 174.233 174.900 -0.022 0.000 1.352 297 G CA 0.172 45.273 45.100 0.003 0.000 1.004 297 G HN 0.848 nan 8.290 nan 0.000 0.559 298 T N -0.243 114.299 114.554 -0.019 0.000 2.952 298 T HA 0.378 4.728 4.350 0.000 0.000 0.305 298 T C -0.457 174.232 174.700 -0.019 0.000 1.064 298 T CA -0.396 61.682 62.100 -0.036 0.000 1.008 298 T CB 1.852 70.683 68.868 -0.062 0.000 1.078 298 T HN 0.430 nan 8.240 nan 0.000 0.459 299 V N 3.838 123.736 119.914 -0.027 0.000 2.416 299 V HA 0.068 4.188 4.120 0.000 0.000 0.267 299 V C 0.845 176.957 176.094 0.030 0.000 1.007 299 V CA 0.066 62.361 62.300 -0.009 0.000 1.102 299 V CB -0.813 30.994 31.823 -0.026 0.000 1.035 299 V HN 0.778 nan 8.190 nan 0.000 0.473 300 I N 5.588 126.203 120.570 0.076 0.000 2.501 300 I HA 0.021 4.191 4.170 0.000 0.000 0.305 300 I C 0.942 177.143 176.117 0.140 0.000 1.197 300 I CA 0.402 61.811 61.300 0.182 0.000 1.793 300 I CB -0.312 37.809 38.000 0.203 0.000 1.521 300 I HN 0.736 nan 8.210 nan 0.000 0.843 301 S N 3.280 119.051 115.700 0.118 0.000 2.480 301 S HA 0.279 4.749 4.470 0.000 0.000 0.286 301 S C 0.967 175.626 174.600 0.099 0.000 1.180 301 S CA -0.870 57.377 58.200 0.079 0.000 1.075 301 S CB 1.860 65.086 63.200 0.043 0.000 0.996 301 S HN 0.381 nan 8.310 nan 0.000 0.487 302 E N 2.651 122.889 120.200 0.063 0.000 2.268 302 E HA -0.128 4.222 4.350 0.000 0.000 0.195 302 E C 1.429 178.060 176.600 0.051 0.000 0.995 302 E CA 0.910 57.341 56.400 0.050 0.000 0.836 302 E CB -0.190 29.522 29.700 0.020 0.000 0.763 302 E HN 0.850 nan 8.360 nan 0.000 0.491 303 E N 0.995 121.221 120.200 0.044 0.000 2.021 303 E HA -0.135 4.215 4.350 0.000 0.000 0.200 303 E C 1.549 178.172 176.600 0.039 0.000 1.015 303 E CA 0.827 57.247 56.400 0.034 0.000 0.824 303 E CB -0.225 29.491 29.700 0.025 0.000 0.762 303 E HN 0.221 nan 8.360 nan 0.000 0.454 304 L N 1.310 122.560 121.223 0.045 0.000 2.855 304 L HA 0.105 4.445 4.340 0.000 0.000 0.257 304 L C 0.590 177.503 176.870 0.072 0.000 1.206 304 L CA -0.144 54.720 54.840 0.040 0.000 1.042 304 L CB -1.475 40.596 42.059 0.020 0.000 1.321 304 L HN 0.203 nan 8.230 nan 0.000 0.417 305 G N 1.382 110.231 108.800 0.082 0.000 2.329 305 G HA2 -0.298 3.662 3.960 0.000 0.000 0.204 305 G HA3 -0.298 3.662 3.960 0.000 0.000 0.204 305 G C -0.776 174.253 174.900 0.214 0.000 0.435 305 G CA -0.136 45.026 45.100 0.104 0.000 0.977 305 G HN 0.329 nan 8.290 nan 0.000 0.366 306 F N 2.268 122.214 119.950 -0.007 0.000 2.775 306 F HA 0.445 4.972 4.527 0.000 0.000 0.339 306 F C -0.211 175.584 175.800 -0.008 0.000 1.159 306 F CA -1.317 56.678 58.000 -0.009 0.000 1.145 306 F CB 0.828 39.821 39.000 -0.011 0.000 1.408 306 F HN 0.427 nan 8.300 nan 0.000 0.597 307 K N 5.490 125.494 120.400 -0.661 0.000 2.202 307 K HA 0.379 4.699 4.320 0.000 0.000 0.264 307 K C 0.938 177.020 176.600 -0.862 0.000 1.010 307 K CA -0.494 55.449 56.287 -0.574 0.000 0.940 307 K CB 1.096 33.396 32.500 -0.332 0.000 0.983 307 K HN 0.735 nan 8.250 nan 0.000 0.475 308 L N 1.963 122.923 121.223 -0.439 0.000 2.072 308 L HA -0.189 4.151 4.340 0.000 0.000 0.205 308 L C 2.458 179.182 176.870 -0.244 0.000 1.079 308 L CA 1.059 55.715 54.840 -0.306 0.000 0.752 308 L CB -0.372 41.600 42.059 -0.146 0.000 0.906 308 L HN 0.760 nan 8.230 nan 0.000 0.436 309 E N 0.051 120.131 120.200 -0.200 0.000 2.171 309 E HA -0.248 4.102 4.350 0.000 0.000 0.197 309 E C 0.711 177.240 176.600 -0.119 0.000 0.997 309 E CA 1.324 57.647 56.400 -0.128 0.000 0.810 309 E CB -0.768 28.872 29.700 -0.101 0.000 0.738 309 E HN 0.531 nan 8.360 nan 0.000 0.467 310 N N 1.447 120.026 118.700 -0.200 0.000 2.362 310 N HA 0.185 4.925 4.740 0.000 0.000 0.211 310 N C -0.341 175.239 175.510 0.116 0.000 1.170 310 N CA 0.540 53.545 53.050 -0.074 0.000 0.828 310 N CB 0.515 38.959 38.487 -0.071 0.000 1.034 310 N HN 0.215 nan 8.380 nan 0.000 0.475 311 A N 0.383 123.242 122.820 0.065 0.000 2.289 311 A HA 0.448 4.768 4.320 0.000 0.000 0.298 311 A C 0.491 178.144 177.584 0.114 0.000 1.208 311 A CA -0.337 51.846 52.037 0.244 0.000 0.845 311 A CB 0.523 19.623 19.000 0.168 0.000 1.125 311 A HN 0.057 nan 8.150 nan 0.000 0.517 312 T N 2.465 117.086 114.554 0.111 0.000 2.910 312 T HA 0.197 4.547 4.350 0.000 0.000 0.293 312 T C 1.001 175.683 174.700 -0.031 0.000 1.015 312 T CA -0.176 61.937 62.100 0.023 0.000 1.094 312 T CB 0.689 69.565 68.868 0.013 0.000 0.968 312 T HN 0.565 nan 8.240 nan 0.000 0.521 313 L N 3.383 124.553 121.223 -0.088 0.000 2.869 313 L HA 0.107 4.447 4.340 0.000 0.000 0.259 313 L C 1.379 178.162 176.870 -0.145 0.000 1.162 313 L CA 0.810 55.531 54.840 -0.198 0.000 0.975 313 L CB -1.292 40.614 42.059 -0.255 0.000 1.217 313 L HN 0.772 nan 8.230 nan 0.000 0.418 314 S N -3.630 112.039 115.700 -0.052 0.000 2.684 314 S HA 0.129 4.600 4.470 0.000 0.000 0.268 314 S C 1.358 175.965 174.600 0.012 0.000 1.075 314 S CA -0.216 57.984 58.200 0.001 0.000 1.184 314 S CB -0.285 62.914 63.200 -0.001 0.000 1.129 314 S HN 0.354 nan 8.310 nan 0.000 0.630 315 M N 2.443 122.044 119.600 0.001 0.000 2.492 315 M HA 0.284 4.764 4.480 0.000 0.000 0.262 315 M C 0.630 176.944 176.300 0.023 0.000 1.090 315 M CA 0.594 55.893 55.300 -0.003 0.000 1.110 315 M CB -0.342 32.260 32.600 0.003 0.000 1.407 315 M HN 0.433 nan 8.290 nan 0.000 0.470 316 L N -0.424 120.827 121.223 0.047 0.000 2.264 316 L HA 0.740 5.080 4.340 0.000 0.000 0.289 316 L C 0.283 177.241 176.870 0.148 0.000 1.044 316 L CA -0.848 54.044 54.840 0.087 0.000 0.807 316 L CB 0.466 42.581 42.059 0.092 0.000 1.192 316 L HN 0.010 nan 8.230 nan 0.000 0.425 317 G N 3.997 112.856 108.800 0.099 0.000 2.570 317 G HA2 0.539 4.499 3.960 0.000 0.000 0.276 317 G HA3 0.539 4.499 3.960 0.000 0.000 0.276 317 G C -0.423 174.537 174.900 0.099 0.000 1.346 317 G CA -0.703 44.447 45.100 0.084 0.000 1.034 317 G HN 1.051 nan 8.290 nan 0.000 0.512 318 R N -2.697 117.813 120.500 0.016 0.000 2.712 318 R HA 0.708 5.049 4.340 0.000 0.000 0.272 318 R C -1.326 174.932 176.300 -0.071 0.000 1.032 318 R CA -0.704 55.352 56.100 -0.073 0.000 0.874 318 R CB 1.060 31.201 30.300 -0.265 0.000 1.256 318 R HN 1.124 nan 8.270 nan 0.000 0.468 319 A N 0.529 123.297 122.820 -0.088 0.000 2.566 319 A HA 0.410 4.730 4.320 0.000 0.000 0.292 319 A C 0.038 177.580 177.584 -0.070 0.000 1.112 319 A CA -0.803 51.202 52.037 -0.054 0.000 0.707 319 A CB 1.852 20.845 19.000 -0.012 0.000 1.302 319 A HN 0.896 nan 8.150 nan 0.000 0.409 320 E N -0.234 119.939 120.200 -0.045 0.000 2.150 320 E HA -0.062 4.288 4.350 0.000 0.000 0.193 320 E C 0.617 177.196 176.600 -0.035 0.000 0.985 320 E CA 0.939 57.313 56.400 -0.044 0.000 0.814 320 E CB 0.210 29.895 29.700 -0.026 0.000 0.752 320 E HN 0.430 nan 8.360 nan 0.000 0.466 321 R N 0.001 120.488 120.500 -0.020 0.000 2.561 321 R HA 0.321 4.661 4.340 0.000 0.000 0.266 321 R C -2.083 174.220 176.300 0.004 0.000 1.091 321 R CA -0.311 55.783 56.100 -0.010 0.000 0.927 321 R CB 1.914 32.211 30.300 -0.005 0.000 1.240 321 R HN -0.136 nan 8.270 nan 0.000 0.449 322 V N 4.410 124.329 119.914 0.009 0.000 2.487 322 V HA 0.519 4.639 4.120 0.000 0.000 0.298 322 V C -0.547 175.562 176.094 0.025 0.000 1.028 322 V CA -0.701 61.614 62.300 0.025 0.000 0.860 322 V CB 1.760 33.602 31.823 0.032 0.000 0.991 322 V HN 0.675 nan 8.190 nan 0.000 0.427 323 R N 5.656 126.169 120.500 0.023 0.000 2.393 323 R HA 0.717 5.057 4.340 0.000 0.000 0.315 323 R C -1.463 174.846 176.300 0.015 0.000 0.952 323 R CA -0.482 55.632 56.100 0.022 0.000 0.842 323 R CB 1.134 31.441 30.300 0.012 0.000 1.163 323 R HN 0.702 nan 8.270 nan 0.000 0.450 324 I N 3.386 123.990 120.570 0.057 0.000 2.406 324 I HA 0.332 4.502 4.170 0.000 0.000 0.290 324 I C -0.091 176.100 176.117 0.124 0.000 0.999 324 I CA -0.725 60.616 61.300 0.068 0.000 1.124 324 I CB 2.284 40.377 38.000 0.154 0.000 1.289 324 I HN 0.571 nan 8.210 nan 0.000 0.441 325 T N 3.761 118.278 114.554 -0.062 0.000 2.942 325 T HA 0.208 4.558 4.350 0.000 0.000 0.289 325 T C 0.877 175.201 174.700 -0.627 0.000 1.044 325 T CA -0.671 61.339 62.100 -0.150 0.000 1.023 325 T CB 2.153 70.951 68.868 -0.116 0.000 1.123 325 T HN 0.606 nan 8.240 nan 0.000 0.512 326 K N 0.358 120.266 120.400 -0.819 0.000 2.442 326 K HA -0.072 4.248 4.320 0.000 0.000 0.198 326 K C 0.326 176.651 176.600 -0.459 0.000 1.044 326 K CA 1.369 57.059 56.287 -0.995 0.000 0.948 326 K CB 0.196 32.409 32.500 -0.478 0.000 0.762 326 K HN 0.417 nan 8.250 nan 0.000 0.472 327 D N -0.655 119.555 120.400 -0.316 0.000 2.498 327 D HA 0.036 4.677 4.640 0.000 0.000 0.223 327 D C -0.346 175.829 176.300 -0.209 0.000 1.125 327 D CA 0.151 54.030 54.000 -0.202 0.000 0.835 327 D CB 0.923 41.647 40.800 -0.127 0.000 1.086 327 D HN 0.224 nan 8.370 nan 0.000 0.510 328 E N 0.399 120.451 120.200 -0.247 0.000 2.352 328 E HA 0.318 4.668 4.350 0.000 0.000 0.280 328 E C -1.424 174.988 176.600 -0.314 0.000 0.930 328 E CA -0.334 55.903 56.400 -0.273 0.000 0.765 328 E CB 2.028 31.619 29.700 -0.182 0.000 1.219 328 E HN -0.273 nan 8.360 nan 0.000 0.434 329 T N 2.215 116.469 114.554 -0.499 0.000 2.859 329 T HA 0.535 4.885 4.350 0.000 0.000 0.281 329 T C -0.923 173.640 174.700 -0.228 0.000 1.005 329 T CA -0.448 61.396 62.100 -0.427 0.000 1.025 329 T CB 1.605 70.020 68.868 -0.754 0.000 0.977 329 T HN 0.378 nan 8.240 nan 0.000 0.458 330 T N 3.059 117.573 114.554 -0.066 0.000 2.879 330 T HA 0.556 4.906 4.350 0.000 0.000 0.290 330 T C -0.436 174.301 174.700 0.063 0.000 0.993 330 T CA -0.540 61.564 62.100 0.007 0.000 0.975 330 T CB 0.784 69.641 68.868 -0.019 0.000 0.981 330 T HN 0.438 nan 8.240 nan 0.000 0.439 331 I N 3.066 123.702 120.570 0.109 0.000 2.390 331 I HA 0.427 4.597 4.170 0.000 0.000 0.283 331 I C -0.576 175.584 176.117 0.072 0.000 1.016 331 I CA -0.946 60.416 61.300 0.103 0.000 1.151 331 I CB 1.420 39.511 38.000 0.152 0.000 1.293 331 I HN 0.265 nan 8.210 nan 0.000 0.458 332 V N 5.054 124.991 119.914 0.039 0.000 2.435 332 V HA 0.659 4.780 4.120 0.000 0.000 0.290 332 V C 0.770 176.873 176.094 0.014 0.000 1.030 332 V CA -0.185 62.129 62.300 0.022 0.000 0.881 332 V CB 1.358 33.184 31.823 0.005 0.000 0.983 332 V HN 1.029 nan 8.190 nan 0.000 0.445 333 G N 3.625 112.434 108.800 0.015 0.000 2.270 333 G HA2 -0.097 3.864 3.960 0.000 0.000 0.224 333 G HA3 -0.097 3.864 3.960 0.000 0.000 0.224 333 G C 0.405 175.308 174.900 0.005 0.000 1.079 333 G CA -0.355 44.749 45.100 0.007 0.000 0.807 333 G HN 1.381 nan 8.290 nan 0.000 0.492 334 G N -0.275 108.536 108.800 0.019 0.000 2.272 334 G HA2 0.408 4.368 3.960 0.000 0.000 0.247 334 G HA3 0.408 4.368 3.960 0.000 0.000 0.247 334 G C 0.630 175.532 174.900 0.002 0.000 1.272 334 G CA -0.029 45.079 45.100 0.014 0.000 0.921 334 G HN 0.486 nan 8.290 nan 0.000 0.495 335 K N 2.403 122.798 120.400 -0.009 0.000 2.498 335 K HA 0.175 4.495 4.320 0.000 0.000 0.207 335 K C 1.376 177.971 176.600 -0.009 0.000 1.033 335 K CA -0.224 56.056 56.287 -0.011 0.000 1.138 335 K CB 0.924 33.411 32.500 -0.022 0.000 0.860 335 K HN 0.544 nan 8.250 nan 0.000 0.490 336 G N 1.159 109.953 108.800 -0.011 0.000 2.599 336 G HA2 0.062 4.022 3.960 0.000 0.000 0.264 336 G HA3 0.062 4.022 3.960 0.000 0.000 0.264 336 G C -0.548 174.344 174.900 -0.013 0.000 1.200 336 G CA -0.575 44.516 45.100 -0.015 0.000 0.896 336 G HN 0.141 nan 8.290 nan 0.000 0.536 337 K N 0.619 121.010 120.400 -0.015 0.000 2.412 337 K HA 0.026 4.347 4.320 0.000 0.000 0.284 337 K C 1.336 177.928 176.600 -0.013 0.000 1.046 337 K CA -0.154 56.125 56.287 -0.013 0.000 0.999 337 K CB 1.358 33.849 32.500 -0.015 0.000 0.941 337 K HN 0.623 nan 8.250 nan 0.000 0.474 338 K N 3.505 123.901 120.400 -0.008 0.000 2.293 338 K HA -0.273 4.047 4.320 0.000 0.000 0.204 338 K C 0.644 177.239 176.600 -0.010 0.000 1.045 338 K CA 1.743 58.026 56.287 -0.006 0.000 0.933 338 K CB 0.210 32.708 32.500 -0.002 0.000 0.736 338 K HN 0.564 nan 8.250 nan 0.000 0.463 339 E N 0.515 120.708 120.200 -0.012 0.000 2.016 339 E HA -0.156 4.194 4.350 0.000 0.000 0.190 339 E C 1.768 178.356 176.600 -0.020 0.000 0.985 339 E CA 1.263 57.655 56.400 -0.015 0.000 0.802 339 E CB -0.113 29.578 29.700 -0.015 0.000 0.762 339 E HN 0.365 nan 8.360 nan 0.000 0.448 340 D N 1.035 121.420 120.400 -0.024 0.000 2.158 340 D HA -0.188 4.452 4.640 0.000 0.000 0.197 340 D C 2.071 178.349 176.300 -0.038 0.000 0.995 340 D CA 1.039 55.019 54.000 -0.033 0.000 0.846 340 D CB -0.204 40.572 40.800 -0.039 0.000 0.941 340 D HN 0.211 nan 8.370 nan 0.000 0.456 341 I N 1.198 121.748 120.570 -0.032 0.000 2.113 341 I HA -0.237 3.933 4.170 0.000 0.000 0.238 341 I C 2.261 178.366 176.117 -0.021 0.000 1.070 341 I CA 1.198 62.480 61.300 -0.031 0.000 1.332 341 I CB -0.286 37.704 38.000 -0.016 0.000 1.044 341 I HN -0.086 nan 8.210 nan 0.000 0.402 342 E N 0.845 121.037 120.200 -0.013 0.000 2.333 342 E HA -0.193 4.157 4.350 0.000 0.000 0.198 342 E C 2.159 178.751 176.600 -0.013 0.000 1.007 342 E CA 0.943 57.338 56.400 -0.009 0.000 0.845 342 E CB -0.135 29.561 29.700 -0.007 0.000 0.766 342 E HN 0.524 nan 8.360 nan 0.000 0.507 343 A N 1.463 124.272 122.820 -0.020 0.000 1.898 343 A HA -0.155 4.165 4.320 0.000 0.000 0.216 343 A C 2.009 179.579 177.584 -0.024 0.000 1.181 343 A CA 0.961 52.985 52.037 -0.022 0.000 0.620 343 A CB -0.072 18.911 19.000 -0.027 0.000 0.819 343 A HN 0.015 nan 8.150 nan 0.000 0.442 344 R N 0.100 120.581 120.500 -0.030 0.000 2.057 344 R HA 0.042 4.382 4.340 0.000 0.000 0.229 344 R C 2.010 178.301 176.300 -0.016 0.000 1.136 344 R CA 1.333 57.414 56.100 -0.032 0.000 0.952 344 R CB -1.350 28.918 30.300 -0.053 0.000 0.848 344 R HN 0.624 nan 8.270 nan 0.000 0.430 345 I N 1.878 122.442 120.570 -0.009 0.000 2.143 345 I HA -0.373 3.797 4.170 0.000 0.000 0.245 345 I C 1.841 177.958 176.117 0.000 0.000 1.068 345 I CA 1.582 62.884 61.300 0.003 0.000 1.326 345 I CB -0.455 37.549 38.000 0.006 0.000 1.028 345 I HN 0.193 nan 8.210 nan 0.000 0.412 346 N N 0.941 119.638 118.700 -0.004 0.000 2.173 346 N HA -0.069 4.671 4.740 0.000 0.000 0.184 346 N C 1.959 177.466 175.510 -0.006 0.000 1.025 346 N CA 1.577 54.624 53.050 -0.004 0.000 0.852 346 N CB -0.690 37.794 38.487 -0.006 0.000 0.998 346 N HN 0.414 nan 8.380 nan 0.000 0.427 347 G N 1.222 110.016 108.800 -0.009 0.000 2.501 347 G HA2 -0.164 3.796 3.960 0.000 0.000 0.220 347 G HA3 -0.164 3.796 3.960 0.000 0.000 0.220 347 G C 1.530 176.426 174.900 -0.007 0.000 1.114 347 G CA 0.113 45.208 45.100 -0.009 0.000 0.757 347 G HN 0.282 nan 8.290 nan 0.000 0.559 348 I N -0.671 119.896 120.570 -0.005 0.000 2.480 348 I HA 0.045 4.215 4.170 0.000 0.000 0.251 348 I C 2.573 178.689 176.117 -0.001 0.000 1.124 348 I CA 0.676 61.975 61.300 -0.002 0.000 1.444 348 I CB 0.076 38.078 38.000 0.003 0.000 1.098 348 I HN 0.079 nan 8.210 nan 0.000 0.428 349 K N 0.606 121.006 120.400 -0.000 0.000 2.103 349 K HA -0.140 4.181 4.320 0.000 0.000 0.204 349 K C 2.006 178.606 176.600 -0.001 0.000 1.052 349 K CA 1.092 57.379 56.287 -0.000 0.000 0.945 349 K CB 0.008 32.508 32.500 0.000 0.000 0.722 349 K HN 0.270 nan 8.250 nan 0.000 0.443 350 K N 1.142 121.541 120.400 -0.002 0.000 2.025 350 K HA -0.184 4.136 4.320 0.000 0.000 0.207 350 K C 2.090 178.690 176.600 -0.001 0.000 1.049 350 K CA 1.352 57.638 56.287 -0.001 0.000 0.933 350 K CB -0.027 32.472 32.500 -0.003 0.000 0.714 350 K HN 0.202 nan 8.250 nan 0.000 0.438 351 E N 0.922 121.122 120.200 -0.001 0.000 2.418 351 E HA -0.151 4.199 4.350 0.000 0.000 0.197 351 E C 1.707 178.307 176.600 0.001 0.000 1.026 351 E CA 0.249 56.649 56.400 0.000 0.000 0.862 351 E CB 0.168 29.868 29.700 0.000 0.000 0.799 351 E HN 0.078 nan 8.360 nan 0.000 0.518 352 L N 0.988 122.210 121.223 -0.001 0.000 2.240 352 L HA -0.013 4.327 4.340 0.000 0.000 0.211 352 L C 1.539 178.409 176.870 0.000 0.000 1.106 352 L CA 1.532 56.371 54.840 -0.002 0.000 0.793 352 L CB 0.063 42.120 42.059 -0.003 0.000 0.927 352 L HN 0.075 nan 8.230 nan 0.000 0.446 353 E N -1.829 118.371 120.200 0.001 0.000 2.230 353 E HA -0.062 4.288 4.350 0.000 0.000 0.192 353 E C 1.559 178.161 176.600 0.004 0.000 0.987 353 E CA 1.150 57.552 56.400 0.003 0.000 0.841 353 E CB 0.073 29.774 29.700 0.002 0.000 0.783 353 E HN 0.383 nan 8.360 nan 0.000 0.481 354 T N 0.583 115.139 114.554 0.004 0.000 3.088 354 T HA 0.008 4.358 4.350 0.000 0.000 0.259 354 T C 0.760 175.465 174.700 0.009 0.000 1.122 354 T CA 0.408 62.511 62.100 0.006 0.000 1.095 354 T CB 0.128 68.999 68.868 0.006 0.000 0.930 354 T HN 0.032 nan 8.240 nan 0.000 0.508 355 T N 3.146 117.705 114.554 0.008 0.000 2.907 355 T HA 0.133 4.483 4.350 0.000 0.000 0.298 355 T C 0.856 175.564 174.700 0.014 0.000 1.017 355 T CA -0.375 61.731 62.100 0.011 0.000 1.118 355 T CB 0.775 69.646 68.868 0.006 0.000 0.948 355 T HN 0.408 nan 8.240 nan 0.000 0.531 356 D N 0.095 120.507 120.400 0.020 0.000 2.461 356 D HA -0.007 4.634 4.640 0.000 0.000 0.266 356 D C 0.675 176.993 176.300 0.031 0.000 1.085 356 D CA -0.094 53.919 54.000 0.022 0.000 0.887 356 D CB -0.140 40.672 40.800 0.021 0.000 1.309 356 D HN 0.509 nan 8.370 nan 0.000 0.498 357 S N 0.992 116.717 115.700 0.042 0.000 2.455 357 S HA 0.150 4.620 4.470 0.000 0.000 0.278 357 S C 0.934 175.576 174.600 0.069 0.000 1.216 357 S CA -0.512 57.726 58.200 0.064 0.000 1.055 357 S CB 1.703 64.955 63.200 0.088 0.000 0.939 357 S HN 0.062 nan 8.310 nan 0.000 0.494 358 E N 1.595 121.837 120.200 0.070 0.000 2.147 358 E HA -0.265 4.086 4.350 0.000 0.000 0.199 358 E C 1.156 177.804 176.600 0.081 0.000 1.005 358 E CA 1.800 58.238 56.400 0.064 0.000 0.810 358 E CB -0.357 29.383 29.700 0.066 0.000 0.736 358 E HN 0.929 nan 8.360 nan 0.000 0.460 359 Y N 1.142 121.450 120.300 0.014 0.000 2.145 359 Y HA -0.215 4.335 4.550 0.000 0.000 0.286 359 Y C 2.315 178.228 175.900 0.023 0.000 1.145 359 Y CA 1.408 59.518 58.100 0.017 0.000 1.148 359 Y CB -0.582 37.887 38.460 0.016 0.000 0.981 359 Y HN -0.007 nan 8.280 nan 0.000 0.507 360 A N 0.509 123.292 122.820 -0.062 0.000 1.978 360 A HA -0.209 4.111 4.320 0.000 0.000 0.220 360 A C 2.304 179.807 177.584 -0.136 0.000 1.170 360 A CA 1.822 53.785 52.037 -0.124 0.000 0.636 360 A CB -0.618 18.387 19.000 0.008 0.000 0.810 360 A HN 0.560 nan 8.150 nan 0.000 0.448 361 R N -0.355 120.096 120.500 -0.082 0.000 2.070 361 R HA -0.131 4.209 4.340 0.000 0.000 0.232 361 R C 2.160 178.410 176.300 -0.084 0.000 1.138 361 R CA 1.674 57.739 56.100 -0.060 0.000 0.936 361 R CB -0.447 29.839 30.300 -0.024 0.000 0.839 361 R HN 0.668 nan 8.270 nan 0.000 0.429 362 E N 0.818 120.956 120.200 -0.104 0.000 2.171 362 E HA -0.271 4.079 4.350 0.000 0.000 0.197 362 E C 1.977 178.500 176.600 -0.129 0.000 0.997 362 E CA 1.610 57.953 56.400 -0.097 0.000 0.810 362 E CB -0.106 29.541 29.700 -0.088 0.000 0.738 362 E HN 0.385 nan 8.360 nan 0.000 0.467 363 K N 0.872 121.137 120.400 -0.226 0.000 2.103 363 K HA -0.124 4.196 4.320 0.000 0.000 0.204 363 K C 1.952 178.491 176.600 -0.100 0.000 1.052 363 K CA 0.925 57.085 56.287 -0.212 0.000 0.945 363 K CB -0.075 32.188 32.500 -0.394 0.000 0.722 363 K HN -0.014 nan 8.250 nan 0.000 0.443 364 L N 1.715 122.890 121.223 -0.081 0.000 2.217 364 L HA -0.075 4.265 4.340 0.000 0.000 0.211 364 L C 2.575 179.433 176.870 -0.019 0.000 1.107 364 L CA 1.207 56.028 54.840 -0.033 0.000 0.783 364 L CB -0.461 41.582 42.059 -0.026 0.000 0.919 364 L HN 0.223 nan 8.230 nan 0.000 0.442 365 Q N 0.261 120.041 119.800 -0.033 0.000 2.077 365 Q HA -0.258 4.082 4.340 0.000 0.000 0.206 365 Q C 2.100 178.093 176.000 -0.010 0.000 0.989 365 Q CA 2.120 57.912 55.803 -0.020 0.000 0.853 365 Q CB -0.395 28.327 28.738 -0.027 0.000 0.907 365 Q HN 0.763 nan 8.270 nan 0.000 0.418 366 E N 0.246 120.434 120.200 -0.021 0.000 2.072 366 E HA -0.149 4.201 4.350 0.000 0.000 0.191 366 E C 2.071 178.672 176.600 0.002 0.000 0.985 366 E CA 0.686 57.075 56.400 -0.019 0.000 0.801 366 E CB -0.345 29.335 29.700 -0.033 0.000 0.750 366 E HN 0.206 nan 8.360 nan 0.000 0.452 367 R N 0.253 120.772 120.500 0.031 0.000 2.091 367 R HA -0.121 4.219 4.340 0.000 0.000 0.238 367 R C 2.514 178.881 176.300 0.112 0.000 1.136 367 R CA 1.370 57.539 56.100 0.114 0.000 0.959 367 R CB -0.482 29.888 30.300 0.117 0.000 0.856 367 R HN 0.194 nan 8.270 nan 0.000 0.437 368 L N 0.629 121.886 121.223 0.057 0.000 2.046 368 L HA -0.106 4.234 4.340 0.000 0.000 0.208 368 L C 2.131 179.029 176.870 0.048 0.000 1.077 368 L CA 2.037 56.904 54.840 0.045 0.000 0.747 368 L CB -0.566 41.507 42.059 0.022 0.000 0.896 368 L HN 0.132 nan 8.230 nan 0.000 0.432 369 A N -1.310 121.530 122.820 0.035 0.000 2.067 369 A HA -0.107 4.213 4.320 0.000 0.000 0.217 369 A C 2.249 179.856 177.584 0.039 0.000 1.156 369 A CA 1.242 53.297 52.037 0.030 0.000 0.683 369 A CB -0.351 18.656 19.000 0.012 0.000 0.808 369 A HN 0.498 nan 8.150 nan 0.000 0.455 370 K N -0.263 120.167 120.400 0.049 0.000 2.021 370 K HA 0.071 4.392 4.320 0.000 0.000 0.205 370 K C 1.802 178.491 176.600 0.148 0.000 1.047 370 K CA 1.187 57.509 56.287 0.058 0.000 0.943 370 K CB -0.355 32.127 32.500 -0.029 0.000 0.725 370 K HN 0.408 nan 8.250 nan 0.000 0.439 371 L N 1.296 122.633 121.223 0.191 0.000 1.976 371 L HA -0.112 4.228 4.340 0.000 0.000 0.209 371 L C 1.444 178.369 176.870 0.092 0.000 1.071 371 L CA 0.644 55.571 54.840 0.144 0.000 0.746 371 L CB -0.605 41.513 42.059 0.098 0.000 0.890 371 L HN 0.134 nan 8.230 nan 0.000 0.432 372 A N -0.685 122.179 122.820 0.073 0.000 2.346 372 A HA 0.417 4.737 4.320 0.000 0.000 0.252 372 A C 1.430 179.057 177.584 0.071 0.000 1.089 372 A CA 0.355 52.427 52.037 0.058 0.000 0.797 372 A CB -0.056 18.970 19.000 0.043 0.000 1.047 372 A HN 0.562 nan 8.150 nan 0.000 0.494 373 G N -0.433 108.415 108.800 0.079 0.000 2.674 373 G HA2 0.048 4.008 3.960 0.000 0.000 0.236 373 G HA3 0.048 4.008 3.960 0.000 0.000 0.236 373 G C 1.835 176.826 174.900 0.151 0.000 1.178 373 G CA 1.411 46.580 45.100 0.115 0.000 0.721 373 G HN 3.018 nan 8.290 nan 0.000 0.515 374 G N -1.812 107.053 108.800 0.108 0.000 2.509 374 G HA2 0.097 4.058 3.960 0.000 0.000 0.256 374 G HA3 0.097 4.058 3.960 0.000 0.000 0.256 374 G C 0.040 174.975 174.900 0.058 0.000 1.152 374 G CA 0.984 46.145 45.100 0.101 0.000 0.951 374 G HN 1.766 nan 8.290 nan 0.000 0.559 375 V N 1.405 121.334 119.914 0.025 0.000 2.454 375 V HA 0.656 4.776 4.120 0.000 0.000 0.267 375 V C 0.697 176.692 176.094 -0.165 0.000 0.993 375 V CA 0.066 62.338 62.300 -0.046 0.000 0.836 375 V CB 0.703 32.518 31.823 -0.013 0.000 1.055 375 V HN 2.009 nan 8.190 nan 0.000 0.452 376 A N 4.573 127.205 122.820 -0.312 0.000 2.515 376 A HA 0.506 4.826 4.320 0.000 0.000 0.263 376 A C -0.070 177.294 177.584 -0.366 0.000 1.096 376 A CA 0.358 52.008 52.037 -0.645 0.000 0.769 376 A CB 0.122 18.698 19.000 -0.706 0.000 1.040 376 A HN 0.632 nan 8.150 nan 0.000 0.505 377 V N 4.397 124.120 119.914 -0.319 0.000 2.581 377 V HA 0.380 4.500 4.120 0.000 0.000 0.303 377 V C 0.101 176.109 176.094 -0.143 0.000 1.041 377 V CA -0.347 61.853 62.300 -0.168 0.000 0.907 377 V CB 1.813 33.578 31.823 -0.096 0.000 0.994 377 V HN 0.719 nan 8.190 nan 0.000 0.442 378 I N 5.099 125.614 120.570 -0.093 0.000 2.503 378 I HA 0.366 4.536 4.170 0.000 0.000 0.277 378 I C 0.128 176.235 176.117 -0.016 0.000 1.078 378 I CA -0.627 60.631 61.300 -0.069 0.000 1.184 378 I CB 0.592 38.541 38.000 -0.083 0.000 1.353 378 I HN 0.459 nan 8.210 nan 0.000 0.490 379 R N 4.119 124.614 120.500 -0.009 0.000 2.446 379 R HA 0.166 4.506 4.340 0.000 0.000 0.314 379 R C -0.463 175.866 176.300 0.048 0.000 1.003 379 R CA -0.142 55.969 56.100 0.018 0.000 1.018 379 R CB 0.621 30.928 30.300 0.013 0.000 0.945 379 R HN 0.246 nan 8.270 nan 0.000 0.419 380 V N 3.142 123.106 119.914 0.084 0.000 2.406 380 V HA 0.292 4.412 4.120 0.000 0.000 0.272 380 V C 1.075 177.233 176.094 0.107 0.000 1.043 380 V CA -0.580 61.810 62.300 0.151 0.000 0.915 380 V CB 1.451 33.394 31.823 0.200 0.000 0.988 380 V HN 0.836 nan 8.190 nan 0.000 0.466 381 G N 3.283 112.153 108.800 0.117 0.000 2.356 381 G HA2 0.714 4.675 3.960 0.000 0.000 0.298 381 G HA3 0.714 4.675 3.960 0.000 0.000 0.298 381 G C -0.181 174.760 174.900 0.068 0.000 1.145 381 G CA 0.399 45.545 45.100 0.076 0.000 0.850 381 G HN 1.082 nan 8.290 nan 0.000 0.487 382 A N 0.958 123.800 122.820 0.037 0.000 3.005 382 A HA 0.938 5.258 4.320 0.000 0.000 0.282 382 A C 0.554 178.146 177.584 0.013 0.000 1.218 382 A CA 0.352 52.400 52.037 0.018 0.000 0.703 382 A CB 0.720 19.720 19.000 -0.000 0.000 1.387 382 A HN 1.804 nan 8.150 nan 0.000 0.592 383 A N -1.923 120.899 122.820 0.003 0.000 2.167 383 A HA 0.529 4.849 4.320 0.000 0.000 0.184 383 A C 0.563 178.145 177.584 -0.002 0.000 1.675 383 A CA 1.304 53.343 52.037 0.002 0.000 1.215 383 A CB 0.039 19.040 19.000 0.003 0.000 1.427 383 A HN 0.815 nan 8.150 nan 0.000 0.457 384 T N -0.779 113.770 114.554 -0.008 0.000 2.924 384 T HA 0.348 4.699 4.350 0.000 0.000 0.291 384 T C 0.619 175.311 174.700 -0.014 0.000 1.045 384 T CA -0.214 61.879 62.100 -0.011 0.000 1.015 384 T CB 2.253 71.112 68.868 -0.015 0.000 1.103 384 T HN 0.304 nan 8.240 nan 0.000 0.496 385 E N 0.609 120.800 120.200 -0.014 0.000 2.268 385 E HA -0.119 4.231 4.350 0.000 0.000 0.195 385 E C 1.315 177.902 176.600 -0.023 0.000 0.995 385 E CA 1.160 57.551 56.400 -0.015 0.000 0.836 385 E CB 0.132 29.823 29.700 -0.014 0.000 0.763 385 E HN 0.644 nan 8.360 nan 0.000 0.491 386 T N 0.433 114.972 114.554 -0.025 0.000 2.706 386 T HA -0.167 4.183 4.350 0.000 0.000 0.255 386 T C 1.669 176.345 174.700 -0.041 0.000 1.048 386 T CA 1.179 63.260 62.100 -0.033 0.000 1.153 386 T CB -0.389 68.461 68.868 -0.029 0.000 0.865 386 T HN 0.285 nan 8.240 nan 0.000 0.414 387 E N 0.549 120.726 120.200 -0.038 0.000 2.187 387 E HA -0.215 4.135 4.350 0.000 0.000 0.199 387 E C 2.066 178.626 176.600 -0.066 0.000 1.004 387 E CA 0.956 57.327 56.400 -0.049 0.000 0.813 387 E CB -0.180 29.500 29.700 -0.034 0.000 0.736 387 E HN 0.270 nan 8.360 nan 0.000 0.468 388 L N 1.230 122.424 121.223 -0.048 0.000 2.007 388 L HA -0.140 4.200 4.340 0.000 0.000 0.205 388 L C 2.127 178.961 176.870 -0.061 0.000 1.073 388 L CA 1.904 56.715 54.840 -0.048 0.000 0.744 388 L CB -0.339 41.708 42.059 -0.022 0.000 0.898 388 L HN -0.053 nan 8.230 nan 0.000 0.435 389 K N -0.555 119.818 120.400 -0.045 0.000 2.173 389 K HA -0.266 4.054 4.320 0.000 0.000 0.207 389 K C 2.081 178.651 176.600 -0.049 0.000 1.046 389 K CA 1.768 58.032 56.287 -0.039 0.000 0.929 389 K CB -0.286 32.187 32.500 -0.045 0.000 0.720 389 K HN 0.482 nan 8.250 nan 0.000 0.453 390 E N 1.514 121.667 120.200 -0.079 0.000 2.016 390 E HA -0.165 4.185 4.350 0.000 0.000 0.190 390 E C 1.810 178.303 176.600 -0.179 0.000 0.985 390 E CA 1.257 57.600 56.400 -0.095 0.000 0.802 390 E CB 0.154 29.795 29.700 -0.098 0.000 0.762 390 E HN 0.213 nan 8.360 nan 0.000 0.448 391 K N 0.676 120.891 120.400 -0.308 0.000 2.063 391 K HA -0.205 4.115 4.320 0.000 0.000 0.208 391 K C 2.241 178.479 176.600 -0.604 0.000 1.048 391 K CA 1.447 57.299 56.287 -0.724 0.000 0.928 391 K CB -0.202 31.890 32.500 -0.680 0.000 0.713 391 K HN -0.101 nan 8.250 nan 0.000 0.442 392 K N 1.156 121.421 120.400 -0.224 0.000 2.000 392 K HA -0.265 4.055 4.320 0.000 0.000 0.218 392 K C 2.003 178.595 176.600 -0.014 0.000 1.053 392 K CA 2.123 58.380 56.287 -0.051 0.000 0.946 392 K CB -0.756 31.742 32.500 -0.003 0.000 0.723 392 K HN 0.234 nan 8.250 nan 0.000 0.446 393 H N -0.189 118.820 119.070 -0.101 0.000 2.267 393 H HA -0.023 4.533 4.556 0.000 0.000 0.297 393 H C 2.243 177.534 175.328 -0.061 0.000 1.080 393 H CA 2.559 58.568 56.048 -0.065 0.000 1.278 393 H CB -0.158 29.563 29.762 -0.067 0.000 1.365 393 H HN 0.273 nan 8.280 nan 0.000 0.489 394 R N -0.463 119.988 120.500 -0.083 0.000 2.115 394 R HA -0.199 4.141 4.340 0.000 0.000 0.239 394 R C 2.430 178.738 176.300 0.012 0.000 1.133 394 R CA 2.413 58.451 56.100 -0.103 0.000 0.935 394 R CB -0.643 29.542 30.300 -0.192 0.000 0.853 394 R HN 0.414 nan 8.270 nan 0.000 0.433 395 F N 0.110 120.033 119.950 -0.044 0.000 2.126 395 F HA -0.221 4.306 4.527 0.000 0.000 0.299 395 F C 2.646 178.402 175.800 -0.074 0.000 1.096 395 F CA 1.048 59.019 58.000 -0.049 0.000 1.255 395 F CB -0.263 38.718 39.000 -0.032 0.000 0.997 395 F HN 0.335 nan 8.300 nan 0.000 0.479 396 E N 0.687 120.944 120.200 0.095 0.000 2.077 396 E HA -0.230 4.120 4.350 0.000 0.000 0.193 396 E C 1.677 178.238 176.600 -0.065 0.000 0.989 396 E CA 1.589 57.986 56.400 -0.004 0.000 0.800 396 E CB -0.011 29.662 29.700 -0.045 0.000 0.746 396 E HN 0.310 nan 8.360 nan 0.000 0.452 397 D N 0.129 120.442 120.400 -0.145 0.000 2.084 397 D HA -0.150 4.491 4.640 0.000 0.000 0.196 397 D C 1.905 178.170 176.300 -0.057 0.000 0.985 397 D CA 1.321 55.234 54.000 -0.145 0.000 0.826 397 D CB -0.448 40.219 40.800 -0.221 0.000 0.978 397 D HN 0.272 nan 8.370 nan 0.000 0.456 398 A N 1.100 123.913 122.820 -0.011 0.000 1.958 398 A HA -0.215 4.105 4.320 0.000 0.000 0.221 398 A C 2.166 179.747 177.584 -0.005 0.000 1.178 398 A CA 1.418 53.464 52.037 0.015 0.000 0.642 398 A CB -0.787 18.257 19.000 0.073 0.000 0.816 398 A HN 0.254 nan 8.150 nan 0.000 0.453 399 L N 0.678 121.897 121.223 -0.007 0.000 1.961 399 L HA -0.180 4.160 4.340 0.000 0.000 0.210 399 L C 1.989 178.843 176.870 -0.028 0.000 1.072 399 L CA 2.505 57.332 54.840 -0.023 0.000 0.749 399 L CB -0.992 41.053 42.059 -0.024 0.000 0.889 399 L HN 0.416 nan 8.230 nan 0.000 0.432 400 N N 0.358 119.038 118.700 -0.033 0.000 2.094 400 N HA -0.239 4.501 4.740 0.000 0.000 0.191 400 N C 1.771 177.264 175.510 -0.028 0.000 1.023 400 N CA 1.704 54.734 53.050 -0.033 0.000 0.857 400 N CB -0.549 37.913 38.487 -0.041 0.000 1.013 400 N HN 0.574 nan 8.380 nan 0.000 0.426 401 A N 1.266 124.069 122.820 -0.028 0.000 1.841 401 A HA -0.174 4.146 4.320 0.000 0.000 0.216 401 A C 2.471 180.044 177.584 -0.017 0.000 1.199 401 A CA 2.535 54.559 52.037 -0.021 0.000 0.621 401 A CB -1.376 17.612 19.000 -0.019 0.000 0.835 401 A HN 0.349 nan 8.150 nan 0.000 0.445 402 T N 0.149 114.692 114.554 -0.017 0.000 2.699 402 T HA -0.210 4.140 4.350 0.000 0.000 0.268 402 T C 1.989 176.679 174.700 -0.016 0.000 1.036 402 T CA 1.673 63.763 62.100 -0.016 0.000 1.147 402 T CB -0.363 68.493 68.868 -0.019 0.000 0.862 402 T HN 0.495 nan 8.240 nan 0.000 0.446 403 R N 1.147 121.636 120.500 -0.019 0.000 2.081 403 R HA 0.019 4.359 4.340 0.000 0.000 0.235 403 R C 2.889 179.181 176.300 -0.013 0.000 1.131 403 R CA 1.409 57.498 56.100 -0.017 0.000 0.960 403 R CB -0.645 29.642 30.300 -0.021 0.000 0.856 403 R HN 0.430 nan 8.270 nan 0.000 0.436 404 A N 1.542 124.353 122.820 -0.014 0.000 1.898 404 A HA -0.046 4.274 4.320 0.000 0.000 0.216 404 A C 2.450 180.029 177.584 -0.008 0.000 1.181 404 A CA 1.484 53.515 52.037 -0.011 0.000 0.620 404 A CB -0.583 18.410 19.000 -0.012 0.000 0.819 404 A HN 0.376 nan 8.150 nan 0.000 0.442 405 A N -0.464 122.350 122.820 -0.009 0.000 1.948 405 A HA -0.092 4.228 4.320 0.000 0.000 0.220 405 A C 2.185 179.766 177.584 -0.005 0.000 1.177 405 A CA 2.029 54.062 52.037 -0.007 0.000 0.636 405 A CB -0.890 18.105 19.000 -0.008 0.000 0.815 405 A HN 0.439 nan 8.150 nan 0.000 0.449 406 V N -0.127 119.783 119.914 -0.006 0.000 2.548 406 V HA -0.213 3.907 4.120 0.000 0.000 0.249 406 V C 2.313 178.405 176.094 -0.002 0.000 1.055 406 V CA 1.999 64.296 62.300 -0.004 0.000 1.065 406 V CB -0.768 31.052 31.823 -0.004 0.000 0.681 406 V HN 0.646 nan 8.190 nan 0.000 0.462 407 E N 0.235 120.434 120.200 -0.003 0.000 2.077 407 E HA -0.191 4.159 4.350 0.000 0.000 0.193 407 E C 1.395 177.995 176.600 0.000 0.000 0.989 407 E CA 1.408 57.807 56.400 -0.001 0.000 0.800 407 E CB 0.000 29.699 29.700 -0.002 0.000 0.746 407 E HN 0.655 nan 8.360 nan 0.000 0.452 408 E N -0.748 119.452 120.200 -0.000 0.000 2.759 408 E HA 0.233 4.583 4.350 0.000 0.000 0.220 408 E C -0.005 176.596 176.600 0.001 0.000 0.974 408 E CA 0.058 56.459 56.400 0.001 0.000 1.148 408 E CB 1.570 31.271 29.700 0.001 0.000 1.059 408 E HN 0.238 nan 8.360 nan 0.000 0.493 409 G N 2.032 110.832 108.800 0.000 0.000 2.782 409 G HA2 -0.243 3.717 3.960 0.000 0.000 0.228 409 G HA3 -0.243 3.717 3.960 0.000 0.000 0.228 409 G C -0.265 174.635 174.900 -0.000 0.000 1.372 409 G CA -0.249 44.851 45.100 0.001 0.000 0.862 409 G HN 0.263 nan 8.290 nan 0.000 0.547 410 I N -2.314 118.256 120.570 0.000 0.000 2.740 410 I HA 0.908 5.078 4.170 0.000 0.000 0.303 410 I C 0.377 176.494 176.117 0.001 0.000 1.044 410 I CA -1.325 59.974 61.300 -0.001 0.000 1.064 410 I CB 2.123 40.122 38.000 -0.003 0.000 1.249 410 I HN 1.249 nan 8.210 nan 0.000 0.433 411 V N 0.447 120.361 119.914 0.000 0.000 3.102 411 V HA 0.704 4.824 4.120 0.000 0.000 0.312 411 V C -2.846 173.248 176.094 -0.000 0.000 1.135 411 V CA -2.651 59.651 62.300 0.003 0.000 1.022 411 V CB 1.266 33.091 31.823 0.005 0.000 1.056 411 V HN 0.636 nan 8.190 nan 0.000 0.436 412 P HA 0.257 nan 4.420 nan 0.000 0.265 412 P C 0.382 177.675 177.300 -0.012 0.000 1.193 412 P CA 0.944 64.042 63.100 -0.003 0.000 0.765 412 P CB 0.455 32.160 31.700 0.008 0.000 0.823 413 G N 1.786 110.570 108.800 -0.026 0.000 2.509 413 G HA2 0.433 4.393 3.960 0.000 0.000 0.269 413 G HA3 0.433 4.393 3.960 0.000 0.000 0.269 413 G C 0.593 175.467 174.900 -0.043 0.000 1.416 413 G CA -0.386 44.694 45.100 -0.033 0.000 1.052 413 G HN 0.782 nan 8.290 nan 0.000 0.542 414 G N -1.885 106.885 108.800 -0.051 0.000 2.305 414 G HA2 0.209 4.169 3.960 0.000 0.000 0.287 414 G HA3 0.209 4.169 3.960 0.000 0.000 0.287 414 G C 1.558 176.439 174.900 -0.031 0.000 1.036 414 G CA 1.189 46.255 45.100 -0.058 0.000 0.887 414 G HN 2.440 nan 8.290 nan 0.000 0.505 415 G N -2.526 106.264 108.800 -0.018 0.000 2.270 415 G HA2 -0.314 3.646 3.960 0.000 0.000 0.268 415 G HA3 -0.314 3.646 3.960 0.000 0.000 0.268 415 G C 1.614 176.517 174.900 0.004 0.000 0.982 415 G CA 1.436 46.533 45.100 -0.004 0.000 0.628 415 G HN 1.535 nan 8.290 nan 0.000 0.544 416 V N 0.757 120.671 119.914 -0.000 0.000 2.317 416 V HA -0.268 3.852 4.120 0.000 0.000 0.251 416 V C 2.957 179.065 176.094 0.024 0.000 1.065 416 V CA 3.159 65.469 62.300 0.015 0.000 1.049 416 V CB -1.087 30.740 31.823 0.007 0.000 0.651 416 V HN 0.579 nan 8.190 nan 0.000 0.450 417 T N 0.130 114.694 114.554 0.015 0.000 2.708 417 T HA -0.127 4.223 4.350 0.000 0.000 0.266 417 T C 1.883 176.595 174.700 0.019 0.000 1.037 417 T CA 1.526 63.637 62.100 0.018 0.000 1.146 417 T CB -0.323 68.552 68.868 0.011 0.000 0.865 417 T HN 0.321 nan 8.240 nan 0.000 0.435 418 L N 0.456 121.688 121.223 0.015 0.000 2.127 418 L HA -0.078 4.263 4.340 0.000 0.000 0.211 418 L C 2.397 179.279 176.870 0.021 0.000 1.089 418 L CA 0.957 55.806 54.840 0.015 0.000 0.757 418 L CB -0.543 41.523 42.059 0.012 0.000 0.899 418 L HN 0.286 nan 8.230 nan 0.000 0.434 419 L N -0.943 120.296 121.223 0.026 0.000 2.027 419 L HA -0.162 4.178 4.340 0.000 0.000 0.206 419 L C 2.671 179.563 176.870 0.037 0.000 1.074 419 L CA 0.858 55.718 54.840 0.034 0.000 0.745 419 L CB -0.540 41.547 42.059 0.045 0.000 0.898 419 L HN 0.223 nan 8.230 nan 0.000 0.433 420 R N 0.369 120.893 120.500 0.039 0.000 2.303 420 R HA -0.081 4.259 4.340 0.000 0.000 0.225 420 R C 1.993 178.310 176.300 0.029 0.000 1.114 420 R CA 1.099 57.223 56.100 0.039 0.000 1.007 420 R CB -0.887 29.438 30.300 0.041 0.000 0.861 420 R HN 0.356 nan 8.270 nan 0.000 0.471 421 A N 0.665 123.500 122.820 0.024 0.000 2.067 421 A HA 0.031 4.351 4.320 0.000 0.000 0.217 421 A C 2.166 179.761 177.584 0.018 0.000 1.156 421 A CA 0.274 52.322 52.037 0.019 0.000 0.683 421 A CB -0.247 18.763 19.000 0.016 0.000 0.808 421 A HN 0.149 nan 8.150 nan 0.000 0.455 422 I N 0.711 121.293 120.570 0.021 0.000 2.118 422 I HA -0.337 3.833 4.170 0.000 0.000 0.241 422 I C 2.744 178.872 176.117 0.017 0.000 1.070 422 I CA 1.765 63.077 61.300 0.019 0.000 1.327 422 I CB -0.524 37.489 38.000 0.022 0.000 1.034 422 I HN 0.356 nan 8.210 nan 0.000 0.405 423 S N 1.377 117.089 115.700 0.020 0.000 2.372 423 S HA -0.299 4.171 4.470 0.000 0.000 0.227 423 S C 2.247 176.855 174.600 0.014 0.000 1.044 423 S CA 1.450 59.660 58.200 0.017 0.000 1.050 423 S CB -0.839 62.372 63.200 0.019 0.000 0.901 423 S HN 0.572 nan 8.310 nan 0.000 0.447 424 A N 1.411 124.239 122.820 0.014 0.000 1.933 424 A HA -0.015 4.305 4.320 0.000 0.000 0.218 424 A C 2.410 180.000 177.584 0.011 0.000 1.175 424 A CA 1.717 53.761 52.037 0.012 0.000 0.628 424 A CB -0.971 18.037 19.000 0.012 0.000 0.814 424 A HN 0.413 nan 8.150 nan 0.000 0.444 425 V N 0.163 120.084 119.914 0.011 0.000 2.358 425 V HA -0.196 3.924 4.120 0.000 0.000 0.246 425 V C 2.420 178.520 176.094 0.009 0.000 1.047 425 V CA 1.842 64.148 62.300 0.010 0.000 1.035 425 V CB -0.860 30.969 31.823 0.011 0.000 0.658 425 V HN 0.506 nan 8.190 nan 0.000 0.452 426 E N 0.265 120.472 120.200 0.010 0.000 2.038 426 E HA -0.232 4.118 4.350 0.000 0.000 0.195 426 E C 2.290 178.895 176.600 0.008 0.000 1.000 426 E CA 1.365 57.771 56.400 0.009 0.000 0.803 426 E CB -0.327 29.379 29.700 0.010 0.000 0.750 426 E HN 0.600 nan 8.360 nan 0.000 0.448 427 E N 0.759 120.963 120.200 0.008 0.000 2.097 427 E HA -0.196 4.154 4.350 0.000 0.000 0.196 427 E C 2.246 178.850 176.600 0.006 0.000 1.000 427 E CA 0.606 57.010 56.400 0.007 0.000 0.804 427 E CB -0.388 29.316 29.700 0.007 0.000 0.740 427 E HN 0.152 nan 8.360 nan 0.000 0.454 428 L N 1.064 122.291 121.223 0.007 0.000 2.017 428 L HA -0.123 4.217 4.340 0.000 0.000 0.208 428 L C 2.245 179.119 176.870 0.006 0.000 1.073 428 L CA 1.415 56.259 54.840 0.006 0.000 0.745 428 L CB -0.589 41.474 42.059 0.007 0.000 0.894 428 L HN 0.037 nan 8.230 nan 0.000 0.432 429 I N -0.209 120.365 120.570 0.006 0.000 2.194 429 I HA -0.371 3.799 4.170 0.000 0.000 0.246 429 I C 2.351 178.471 176.117 0.005 0.000 1.093 429 I CA 1.680 62.984 61.300 0.006 0.000 1.355 429 I CB -0.523 37.481 38.000 0.006 0.000 1.046 429 I HN 0.284 nan 8.210 nan 0.000 0.413 430 K N 0.908 121.311 120.400 0.005 0.000 2.281 430 K HA -0.175 4.146 4.320 0.000 0.000 0.203 430 K C 1.536 178.138 176.600 0.004 0.000 1.046 430 K CA 1.161 57.450 56.287 0.005 0.000 0.938 430 K CB -0.110 32.392 32.500 0.005 0.000 0.737 430 K HN 0.414 nan 8.250 nan 0.000 0.458 431 K N 0.034 120.437 120.400 0.004 0.000 2.358 431 K HA 0.196 4.516 4.320 0.000 0.000 0.197 431 K C 0.157 176.760 176.600 0.004 0.000 1.025 431 K CA -0.026 56.263 56.287 0.004 0.000 1.104 431 K CB 0.509 33.012 32.500 0.004 0.000 0.855 431 K HN -0.007 nan 8.250 nan 0.000 0.531 432 L N 0.790 122.016 121.223 0.004 0.000 2.322 432 L HA 0.435 4.775 4.340 0.000 0.000 0.269 432 L C -0.381 176.491 176.870 0.004 0.000 1.012 432 L CA -0.732 54.111 54.840 0.004 0.000 0.815 432 L CB 1.816 43.877 42.059 0.005 0.000 1.295 432 L HN 0.052 nan 8.230 nan 0.000 0.438 433 E N 0.095 120.297 120.200 0.004 0.000 2.433 433 E HA 0.567 4.917 4.350 0.000 0.000 0.278 433 E C -0.330 176.272 176.600 0.004 0.000 0.976 433 E CA 0.050 56.453 56.400 0.004 0.000 0.793 433 E CB 2.236 31.938 29.700 0.003 0.000 1.311 433 E HN 0.735 nan 8.360 nan 0.000 0.460 434 G N 2.398 111.200 108.800 0.004 0.000 2.553 434 G HA2 -0.278 3.682 3.960 0.000 0.000 0.242 434 G HA3 -0.278 3.682 3.960 0.000 0.000 0.242 434 G C 0.314 175.217 174.900 0.004 0.000 1.277 434 G CA 0.242 45.344 45.100 0.004 0.000 0.910 434 G HN 0.672 nan 8.290 nan 0.000 0.576 435 D N 0.179 120.582 120.400 0.005 0.000 2.178 435 D HA -0.035 4.605 4.640 0.000 0.000 0.202 435 D C 2.078 178.381 176.300 0.005 0.000 0.974 435 D CA 1.433 55.436 54.000 0.005 0.000 0.841 435 D CB -0.149 40.654 40.800 0.005 0.000 0.953 435 D HN 0.626 nan 8.370 nan 0.000 0.478 436 E N 0.681 120.884 120.200 0.005 0.000 2.085 436 E HA -0.182 4.168 4.350 0.000 0.000 0.194 436 E C 2.001 178.604 176.600 0.005 0.000 0.994 436 E CA 1.201 57.604 56.400 0.005 0.000 0.801 436 E CB 0.035 29.738 29.700 0.005 0.000 0.743 436 E HN 0.176 nan 8.360 nan 0.000 0.453 437 A N -0.064 122.759 122.820 0.005 0.000 1.969 437 A HA -0.155 4.166 4.320 0.000 0.000 0.218 437 A C 2.324 179.911 177.584 0.006 0.000 1.169 437 A CA 1.842 53.882 52.037 0.005 0.000 0.635 437 A CB -0.776 18.227 19.000 0.005 0.000 0.810 437 A HN 0.308 nan 8.150 nan 0.000 0.445 438 T N -0.098 114.459 114.554 0.006 0.000 2.708 438 T HA -0.068 4.282 4.350 0.000 0.000 0.266 438 T C 2.023 176.726 174.700 0.006 0.000 1.037 438 T CA 1.536 63.640 62.100 0.006 0.000 1.146 438 T CB -0.756 68.116 68.868 0.006 0.000 0.865 438 T HN 0.588 nan 8.240 nan 0.000 0.435 439 G N 1.425 110.229 108.800 0.006 0.000 2.491 439 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 439 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 439 G C 1.873 176.777 174.900 0.007 0.000 1.180 439 G CA 1.170 46.274 45.100 0.006 0.000 0.774 439 G HN 0.597 nan 8.290 nan 0.000 0.562 440 A N 0.764 123.588 122.820 0.006 0.000 1.917 440 A HA -0.122 4.199 4.320 0.000 0.000 0.219 440 A C 2.323 179.912 177.584 0.007 0.000 1.182 440 A CA 2.214 54.255 52.037 0.007 0.000 0.633 440 A CB -0.423 18.581 19.000 0.007 0.000 0.819 440 A HN 0.437 nan 8.150 nan 0.000 0.448 441 K N -0.583 119.822 120.400 0.007 0.000 2.097 441 K HA -0.041 4.279 4.320 0.000 0.000 0.206 441 K C 1.820 178.425 176.600 0.008 0.000 1.049 441 K CA 1.379 57.671 56.287 0.007 0.000 0.933 441 K CB -0.363 32.141 32.500 0.007 0.000 0.717 441 K HN 0.566 nan 8.250 nan 0.000 0.442 442 I N 0.699 121.273 120.570 0.007 0.000 2.127 442 I HA -0.294 3.876 4.170 0.000 0.000 0.241 442 I C 2.265 178.387 176.117 0.008 0.000 1.075 442 I CA 1.199 62.504 61.300 0.008 0.000 1.334 442 I CB -0.388 37.617 38.000 0.007 0.000 1.040 442 I HN -0.066 nan 8.210 nan 0.000 0.405 443 V N 0.876 120.794 119.914 0.008 0.000 2.332 443 V HA -0.305 3.815 4.120 0.000 0.000 0.248 443 V C 2.648 178.747 176.094 0.009 0.000 1.055 443 V CA 1.993 64.298 62.300 0.008 0.000 1.038 443 V CB -0.834 30.994 31.823 0.008 0.000 0.651 443 V HN 0.429 nan 8.190 nan 0.000 0.450 444 R N 0.070 120.576 120.500 0.010 0.000 2.105 444 R HA -0.253 4.087 4.340 0.000 0.000 0.239 444 R C 2.445 178.752 176.300 0.012 0.000 1.135 444 R CA 2.036 58.143 56.100 0.011 0.000 0.967 444 R CB -0.203 30.103 30.300 0.011 0.000 0.861 444 R HN 0.376 nan 8.270 nan 0.000 0.442 445 R N 0.674 121.180 120.500 0.011 0.000 2.062 445 R HA 0.035 4.375 4.340 0.000 0.000 0.229 445 R C 1.976 178.282 176.300 0.011 0.000 1.128 445 R CA 1.896 58.002 56.100 0.011 0.000 0.960 445 R CB -0.942 29.363 30.300 0.009 0.000 0.855 445 R HN 0.278 nan 8.270 nan 0.000 0.432 446 A N 1.200 124.026 122.820 0.010 0.000 1.873 446 A HA -0.171 4.149 4.320 0.000 0.000 0.218 446 A C 2.292 179.882 177.584 0.010 0.000 1.193 446 A CA 1.918 53.961 52.037 0.009 0.000 0.629 446 A CB -0.983 18.022 19.000 0.008 0.000 0.826 446 A HN 0.396 nan 8.150 nan 0.000 0.447 447 L N -0.721 120.509 121.223 0.011 0.000 2.270 447 L HA -0.275 4.065 4.340 0.000 0.000 0.217 447 L C 2.375 179.254 176.870 0.015 0.000 1.107 447 L CA 1.712 56.559 54.840 0.013 0.000 0.772 447 L CB -0.615 41.452 42.059 0.014 0.000 0.902 447 L HN 0.536 nan 8.230 nan 0.000 0.439 448 E N -0.858 119.351 120.200 0.015 0.000 2.230 448 E HA -0.125 4.225 4.350 0.000 0.000 0.192 448 E C 1.979 178.587 176.600 0.014 0.000 0.987 448 E CA 0.090 56.500 56.400 0.016 0.000 0.841 448 E CB 0.137 29.846 29.700 0.016 0.000 0.783 448 E HN 0.380 nan 8.360 nan 0.000 0.481 449 E N 0.607 120.814 120.200 0.012 0.000 2.033 449 E HA -0.169 4.181 4.350 0.000 0.000 0.199 449 E C -0.666 175.940 176.600 0.010 0.000 1.011 449 E CA 1.412 57.818 56.400 0.011 0.000 0.815 449 E CB -1.639 28.066 29.700 0.009 0.000 0.755 449 E HN 0.236 nan 8.360 nan 0.000 0.451 450 P HA -0.195 nan 4.420 nan 0.000 0.213 450 P C 1.393 178.697 177.300 0.007 0.000 1.176 450 P CA 2.500 65.604 63.100 0.006 0.000 0.919 450 P CB -0.239 31.464 31.700 0.005 0.000 0.791 451 A N -0.490 122.335 122.820 0.009 0.000 1.873 451 A HA -0.293 4.027 4.320 0.000 0.000 0.218 451 A C 2.405 179.996 177.584 0.012 0.000 1.193 451 A CA 2.161 54.204 52.037 0.010 0.000 0.629 451 A CB -1.377 17.632 19.000 0.016 0.000 0.826 451 A HN 0.008 nan 8.150 nan 0.000 0.447 452 R N -1.247 119.259 120.500 0.011 0.000 2.082 452 R HA -0.237 4.103 4.340 0.000 0.000 0.234 452 R C 2.536 178.846 176.300 0.017 0.000 1.136 452 R CA 2.076 58.182 56.100 0.010 0.000 0.935 452 R CB -0.348 29.959 30.300 0.011 0.000 0.842 452 R HN 0.582 nan 8.270 nan 0.000 0.430 453 Q N 0.698 120.508 119.800 0.017 0.000 2.152 453 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 453 Q C 1.863 177.877 176.000 0.024 0.000 0.985 453 Q CA 1.859 57.674 55.803 0.020 0.000 0.863 453 Q CB -0.239 28.508 28.738 0.014 0.000 0.904 453 Q HN 0.465 nan 8.270 nan 0.000 0.422 454 I N -0.266 120.315 120.570 0.019 0.000 2.113 454 I HA -0.312 3.858 4.170 0.000 0.000 0.238 454 I C 2.242 178.381 176.117 0.037 0.000 1.070 454 I CA 1.115 62.424 61.300 0.016 0.000 1.332 454 I CB -0.675 37.325 38.000 -0.001 0.000 1.044 454 I HN 0.304 nan 8.210 nan 0.000 0.402 455 A N 0.234 123.083 122.820 0.050 0.000 1.917 455 A HA -0.308 4.013 4.320 0.000 0.000 0.219 455 A C 2.184 179.849 177.584 0.135 0.000 1.182 455 A CA 2.307 54.389 52.037 0.075 0.000 0.633 455 A CB -0.700 18.289 19.000 -0.018 0.000 0.819 455 A HN 0.447 nan 8.150 nan 0.000 0.448 456 E N 0.357 120.612 120.200 0.091 0.000 2.038 456 E HA -0.180 4.170 4.350 0.000 0.000 0.195 456 E C 1.889 178.550 176.600 0.102 0.000 1.000 456 E CA 1.622 58.078 56.400 0.094 0.000 0.803 456 E CB -0.197 29.535 29.700 0.053 0.000 0.750 456 E HN 0.597 nan 8.360 nan 0.000 0.448 457 N N 0.020 118.765 118.700 0.075 0.000 2.205 457 N HA -0.169 4.571 4.740 0.000 0.000 0.186 457 N C 1.336 176.904 175.510 0.097 0.000 1.015 457 N CA 1.280 54.370 53.050 0.065 0.000 0.862 457 N CB -0.319 38.192 38.487 0.040 0.000 0.986 457 N HN 0.236 nan 8.380 nan 0.000 0.429 458 A N 0.006 122.912 122.820 0.144 0.000 2.206 458 A HA 0.341 4.661 4.320 0.000 0.000 0.211 458 A C 1.300 179.117 177.584 0.388 0.000 1.158 458 A CA 0.832 53.001 52.037 0.221 0.000 0.761 458 A CB -0.325 18.761 19.000 0.145 0.000 0.801 458 A HN 0.326 nan 8.150 nan 0.000 0.473 459 G N -2.059 106.921 108.800 0.299 0.000 2.255 459 G HA2 -0.196 3.764 3.960 0.000 0.000 0.239 459 G HA3 -0.196 3.764 3.960 0.000 0.000 0.239 459 G C -0.387 174.554 174.900 0.067 0.000 1.083 459 G CA 0.204 45.397 45.100 0.155 0.000 0.826 459 G HN 0.418 nan 8.290 nan 0.000 0.493 460 Y N -0.890 119.430 120.300 0.034 0.000 2.634 460 Y HA 0.571 5.121 4.550 0.000 0.000 0.340 460 Y C 0.553 176.437 175.900 -0.027 0.000 1.058 460 Y CA -1.592 56.510 58.100 0.004 0.000 1.081 460 Y CB 1.053 39.505 38.460 -0.013 0.000 1.295 460 Y HN 0.143 nan 8.280 nan 0.000 0.487 461 E N 0.971 121.237 120.200 0.109 0.000 2.029 461 E HA 0.154 4.504 4.350 0.000 0.000 0.276 461 E C 0.766 177.378 176.600 0.020 0.000 1.163 461 E CA 0.107 56.533 56.400 0.044 0.000 0.909 461 E CB 0.715 30.427 29.700 0.021 0.000 1.046 461 E HN 0.948 nan 8.360 nan 0.000 0.406 462 G N 3.124 111.939 108.800 0.024 0.000 2.721 462 G HA2 -0.433 3.528 3.960 0.000 0.000 0.218 462 G HA3 -0.433 3.528 3.960 0.000 0.000 0.218 462 G C 1.640 176.536 174.900 -0.007 0.000 1.265 462 G CA 1.353 46.455 45.100 0.004 0.000 0.796 462 G HN 0.590 nan 8.290 nan 0.000 0.620 463 S N 0.170 115.873 115.700 0.004 0.000 2.392 463 S HA -0.197 4.273 4.470 0.000 0.000 0.232 463 S C 2.272 176.875 174.600 0.006 0.000 1.041 463 S CA 1.922 60.126 58.200 0.007 0.000 1.026 463 S CB -0.766 62.439 63.200 0.008 0.000 0.845 463 S HN 0.192 nan 8.310 nan 0.000 0.465 464 V N 2.188 122.104 119.914 0.002 0.000 2.261 464 V HA -0.124 3.997 4.120 0.000 0.000 0.246 464 V C 2.501 178.602 176.094 0.012 0.000 1.047 464 V CA 1.977 64.280 62.300 0.005 0.000 1.015 464 V CB -0.741 31.086 31.823 0.006 0.000 0.642 464 V HN 0.480 nan 8.190 nan 0.000 0.446 465 I N -0.078 120.474 120.570 -0.030 0.000 2.163 465 I HA -0.224 3.946 4.170 0.000 0.000 0.243 465 I C 2.342 178.491 176.117 0.052 0.000 1.085 465 I CA 1.349 62.622 61.300 -0.044 0.000 1.347 465 I CB -0.396 37.348 38.000 -0.427 0.000 1.044 465 I HN 0.153 nan 8.210 nan 0.000 0.408 466 V N 0.264 120.187 119.914 0.016 0.000 2.568 466 V HA -0.305 3.815 4.120 0.000 0.000 0.253 466 V C 2.339 178.474 176.094 0.070 0.000 1.072 466 V CA 1.732 64.059 62.300 0.045 0.000 1.084 466 V CB -0.715 31.123 31.823 0.026 0.000 0.676 466 V HN 0.437 nan 8.190 nan 0.000 0.469 467 Q N 0.301 120.136 119.800 0.057 0.000 2.008 467 Q HA -0.128 4.212 4.340 0.000 0.000 0.196 467 Q C 2.301 178.339 176.000 0.064 0.000 0.973 467 Q CA 1.629 57.461 55.803 0.048 0.000 0.826 467 Q CB -0.397 28.356 28.738 0.024 0.000 0.894 467 Q HN 0.690 nan 8.270 nan 0.000 0.439 468 Q N -0.363 119.476 119.800 0.065 0.000 2.297 468 Q HA -0.143 4.197 4.340 0.000 0.000 0.208 468 Q C 1.970 178.070 176.000 0.167 0.000 0.981 468 Q CA 1.169 56.984 55.803 0.021 0.000 0.876 468 Q CB -0.085 28.565 28.738 -0.147 0.000 0.921 468 Q HN 0.435 nan 8.270 nan 0.000 0.446 469 I N 0.173 120.914 120.570 0.284 0.000 2.235 469 I HA -0.227 3.943 4.170 0.000 0.000 0.241 469 I C 1.938 178.206 176.117 0.252 0.000 1.085 469 I CA 0.839 62.356 61.300 0.362 0.000 1.378 469 I CB -0.092 38.064 38.000 0.260 0.000 1.076 469 I HN 0.163 nan 8.210 nan 0.000 0.415 470 L N 0.711 122.024 121.223 0.149 0.000 2.450 470 L HA -0.144 4.196 4.340 0.000 0.000 0.224 470 L C 2.647 179.560 176.870 0.072 0.000 1.149 470 L CA 0.643 55.541 54.840 0.098 0.000 0.816 470 L CB -0.620 41.478 42.059 0.065 0.000 0.932 470 L HN 0.241 nan 8.230 nan 0.000 0.449 471 A N -0.228 122.635 122.820 0.071 0.000 1.873 471 A HA -0.158 4.162 4.320 0.000 0.000 0.215 471 A C 1.282 178.860 177.584 -0.010 0.000 1.186 471 A CA 0.562 52.609 52.037 0.018 0.000 0.616 471 A CB -0.257 18.738 19.000 -0.008 0.000 0.823 471 A HN 0.308 nan 8.150 nan 0.000 0.442 472 E N 0.232 120.432 120.200 -0.001 0.000 2.265 472 E HA 0.252 4.602 4.350 0.000 0.000 0.272 472 E C 0.405 176.995 176.600 -0.017 0.000 1.067 472 E CA 0.581 56.920 56.400 -0.101 0.000 0.900 472 E CB 0.510 30.008 29.700 -0.336 0.000 1.017 472 E HN 0.278 nan 8.360 nan 0.000 0.431 473 T N 4.184 118.715 114.554 -0.037 0.000 2.990 473 T HA 0.077 4.427 4.350 0.000 0.000 0.249 473 T C 1.187 175.881 174.700 -0.010 0.000 1.039 473 T CA -0.100 61.996 62.100 -0.007 0.000 1.036 473 T CB 0.166 69.028 68.868 -0.009 0.000 0.994 473 T HN 0.289 nan 8.240 nan 0.000 0.489 474 K N 1.907 122.284 120.400 -0.038 0.000 1.965 474 K HA -0.055 4.265 4.320 0.000 0.000 0.220 474 K C 0.985 177.584 176.600 -0.002 0.000 1.046 474 K CA 1.136 57.405 56.287 -0.029 0.000 0.974 474 K CB -0.239 32.229 32.500 -0.054 0.000 0.738 474 K HN 0.125 nan 8.250 nan 0.000 0.444 475 N N 1.307 120.010 118.700 0.005 0.000 2.462 475 N HA 0.060 4.800 4.740 0.000 0.000 0.242 475 N C -2.029 173.544 175.510 0.105 0.000 1.010 475 N CA -1.977 51.105 53.050 0.054 0.000 0.939 475 N CB 1.282 39.812 38.487 0.072 0.000 1.127 475 N HN -0.047 nan 8.380 nan 0.000 0.509 476 P HA -0.142 nan 4.420 nan 0.000 0.223 476 P C 0.345 177.712 177.300 0.112 0.000 1.144 476 P CA 1.002 64.157 63.100 0.093 0.000 0.783 476 P CB 0.341 32.077 31.700 0.059 0.000 0.771 477 R N -1.911 118.657 120.500 0.112 0.000 2.313 477 R HA 0.019 4.360 4.340 0.000 0.000 0.199 477 R C 0.732 177.116 176.300 0.140 0.000 0.958 477 R CA -0.258 55.901 56.100 0.097 0.000 1.047 477 R CB -0.589 29.755 30.300 0.073 0.000 0.955 477 R HN 0.218 nan 8.270 nan 0.000 0.481 478 Y N 1.004 121.341 120.300 0.062 0.000 2.526 478 Y HA 0.274 4.824 4.550 0.000 0.000 0.330 478 Y C 0.560 176.536 175.900 0.127 0.000 1.156 478 Y CA 0.457 58.617 58.100 0.100 0.000 1.419 478 Y CB 0.667 39.190 38.460 0.104 0.000 1.250 478 Y HN 0.065 nan 8.280 nan 0.000 0.540 479 G N 4.667 113.236 108.800 -0.386 0.000 2.606 479 G HA2 0.347 4.307 3.960 0.000 0.000 0.300 479 G HA3 0.347 4.307 3.960 0.000 0.000 0.300 479 G C -2.303 172.369 174.900 -0.380 0.000 1.360 479 G CA -1.022 43.924 45.100 -0.258 0.000 0.783 479 G HN 0.613 nan 8.290 nan 0.000 0.484 480 F N 1.156 120.777 119.950 -0.548 0.000 2.427 480 F HA 0.579 5.106 4.527 0.000 0.000 0.346 480 F C -0.033 175.452 175.800 -0.523 0.000 1.120 480 F CA -1.038 56.450 58.000 -0.854 0.000 1.033 480 F CB 1.809 40.200 39.000 -1.016 0.000 1.126 480 F HN 0.372 nan 8.300 nan 0.000 0.462 481 N N 5.088 123.130 118.700 -1.096 0.000 2.645 481 N HA 0.254 4.994 4.740 0.000 0.000 0.233 481 N C 0.624 175.417 175.510 -1.196 0.000 1.058 481 N CA 0.247 52.796 53.050 -0.835 0.000 0.942 481 N CB 1.233 39.412 38.487 -0.514 0.000 1.210 481 N HN 0.744 nan 8.380 nan 0.000 0.512 482 A N 3.159 125.376 122.820 -1.004 0.000 2.139 482 A HA -0.120 4.200 4.320 0.000 0.000 0.221 482 A C 2.055 179.343 177.584 -0.494 0.000 1.159 482 A CA 1.818 53.380 52.037 -0.792 0.000 0.662 482 A CB -0.676 18.132 19.000 -0.319 0.000 0.796 482 A HN 0.712 nan 8.150 nan 0.000 0.463 483 A N -0.500 122.086 122.820 -0.390 0.000 1.854 483 A HA -0.031 4.289 4.320 0.000 0.000 0.214 483 A C 2.378 179.850 177.584 -0.185 0.000 1.192 483 A CA 2.243 54.148 52.037 -0.219 0.000 0.611 483 A CB -1.050 17.847 19.000 -0.173 0.000 0.832 483 A HN 0.804 nan 8.150 nan 0.000 0.442 484 T N -4.354 110.053 114.554 -0.245 0.000 3.065 484 T HA 0.398 4.748 4.350 0.000 0.000 0.252 484 T C 1.239 175.857 174.700 -0.137 0.000 1.099 484 T CA 1.077 63.087 62.100 -0.150 0.000 1.063 484 T CB -0.032 68.758 68.868 -0.131 0.000 0.948 484 T HN 1.803 nan 8.240 nan 0.000 0.506 485 G N 1.233 109.817 108.800 -0.360 0.000 2.256 485 G HA2 -0.172 3.788 3.960 0.000 0.000 0.272 485 G HA3 -0.172 3.788 3.960 0.000 0.000 0.272 485 G C -0.436 174.441 174.900 -0.038 0.000 1.076 485 G CA 0.078 45.036 45.100 -0.237 0.000 0.882 485 G HN 0.689 nan 8.290 nan 0.000 0.497 486 E N -1.455 118.547 120.200 -0.331 0.000 2.383 486 E HA 0.595 4.945 4.350 0.000 0.000 0.275 486 E C -0.877 175.631 176.600 -0.154 0.000 0.918 486 E CA -1.050 55.342 56.400 -0.014 0.000 0.764 486 E CB 1.371 31.083 29.700 0.020 0.000 1.252 486 E HN 0.050 nan 8.360 nan 0.000 0.449 487 F N 1.429 121.417 119.950 0.064 0.000 2.396 487 F HA 0.393 4.920 4.527 0.000 0.000 0.343 487 F C 0.572 176.313 175.800 -0.099 0.000 1.104 487 F CA -0.329 57.620 58.000 -0.085 0.000 1.161 487 F CB 1.129 40.083 39.000 -0.076 0.000 1.146 487 F HN 0.217 nan 8.300 nan 0.000 0.522 488 V N -1.118 118.745 119.914 -0.086 0.000 3.130 488 V HA 0.476 4.596 4.120 0.000 0.000 0.308 488 V C -1.330 174.769 176.094 0.009 0.000 1.413 488 V CA -1.110 61.199 62.300 0.016 0.000 1.053 488 V CB 1.733 33.538 31.823 -0.031 0.000 1.075 488 V HN 0.546 nan 8.190 nan 0.000 0.465 489 D N 1.348 121.785 120.400 0.061 0.000 2.393 489 D HA 0.230 4.870 4.640 0.000 0.000 0.232 489 D C 1.296 177.599 176.300 0.005 0.000 1.192 489 D CA -0.367 53.673 54.000 0.067 0.000 0.882 489 D CB 1.269 42.114 40.800 0.076 0.000 1.038 489 D HN 0.542 nan 8.370 nan 0.000 0.499 490 M N 2.870 122.458 119.600 -0.020 0.000 2.116 490 M HA -0.209 4.271 4.480 0.000 0.000 0.255 490 M C 1.870 178.154 176.300 -0.027 0.000 1.075 490 M CA 1.156 56.429 55.300 -0.045 0.000 1.087 490 M CB -0.798 31.776 32.600 -0.043 0.000 1.340 490 M HN 0.311 nan 8.290 nan 0.000 0.402 491 V N 0.145 120.056 119.914 -0.004 0.000 2.221 491 V HA -0.237 3.884 4.120 0.000 0.000 0.242 491 V C 2.081 178.173 176.094 -0.003 0.000 1.041 491 V CA 1.824 64.124 62.300 -0.001 0.000 0.995 491 V CB -0.816 31.013 31.823 0.010 0.000 0.635 491 V HN 0.461 nan 8.190 nan 0.000 0.448 492 E N 0.215 120.419 120.200 0.006 0.000 2.448 492 E HA -0.165 4.185 4.350 0.000 0.000 0.203 492 E C 1.706 178.303 176.600 -0.005 0.000 1.046 492 E CA 0.950 57.353 56.400 0.005 0.000 0.871 492 E CB -0.212 29.498 29.700 0.017 0.000 0.790 492 E HN 0.597 nan 8.360 nan 0.000 0.545 493 A N 0.046 122.855 122.820 -0.017 0.000 2.348 493 A HA 0.359 4.679 4.320 0.000 0.000 0.224 493 A C 1.481 179.041 177.584 -0.039 0.000 1.227 493 A CA 0.440 52.456 52.037 -0.035 0.000 0.885 493 A CB 0.061 19.026 19.000 -0.058 0.000 0.933 493 A HN 0.238 nan 8.150 nan 0.000 0.506 494 G N -0.038 108.745 108.800 -0.028 0.000 2.249 494 G HA2 -0.232 3.729 3.960 0.000 0.000 0.273 494 G HA3 -0.232 3.729 3.960 0.000 0.000 0.273 494 G C 0.021 174.900 174.900 -0.036 0.000 1.036 494 G CA 0.568 45.652 45.100 -0.027 0.000 0.824 494 G HN 0.595 nan 8.290 nan 0.000 0.504 495 I N 0.455 120.998 120.570 -0.044 0.000 2.621 495 I HA 0.368 4.538 4.170 0.000 0.000 0.276 495 I C 0.245 176.338 176.117 -0.041 0.000 1.118 495 I CA -0.745 60.522 61.300 -0.054 0.000 1.159 495 I CB 0.935 38.884 38.000 -0.085 0.000 1.357 495 I HN -0.052 nan 8.210 nan 0.000 0.513 496 V N 2.654 122.550 119.914 -0.029 0.000 3.158 496 V HA 0.606 4.726 4.120 0.000 0.000 0.315 496 V C -0.678 175.405 176.094 -0.018 0.000 1.148 496 V CA -0.720 61.568 62.300 -0.020 0.000 1.042 496 V CB 2.749 34.564 31.823 -0.014 0.000 1.101 496 V HN 0.371 nan 8.190 nan 0.000 0.448 497 D N 0.266 120.658 120.400 -0.013 0.000 2.859 497 D HA 0.384 5.024 4.640 0.000 0.000 0.223 497 D C -3.005 173.290 176.300 -0.008 0.000 1.218 497 D CA -1.324 52.669 54.000 -0.012 0.000 0.850 497 D CB 2.631 43.424 40.800 -0.011 0.000 1.656 497 D HN 0.215 nan 8.370 nan 0.000 0.484 498 P HA 0.081 nan 4.420 nan 0.000 0.261 498 P C 0.500 177.798 177.300 -0.004 0.000 1.203 498 P CA 0.039 63.135 63.100 -0.006 0.000 0.767 498 P CB 0.564 32.260 31.700 -0.008 0.000 0.785 499 A N 5.108 127.927 122.820 -0.002 0.000 2.084 499 A HA -0.265 4.055 4.320 0.000 0.000 0.221 499 A C 2.093 179.677 177.584 0.000 0.000 1.161 499 A CA 1.630 53.667 52.037 0.000 0.000 0.653 499 A CB -0.906 18.095 19.000 0.002 0.000 0.802 499 A HN 0.505 nan 8.150 nan 0.000 0.457 500 K N -0.263 120.136 120.400 -0.001 0.000 2.057 500 K HA -0.079 4.241 4.320 0.000 0.000 0.206 500 K C 1.801 178.400 176.600 -0.002 0.000 1.050 500 K CA 1.498 57.784 56.287 -0.001 0.000 0.935 500 K CB -0.267 32.231 32.500 -0.002 0.000 0.715 500 K HN 0.263 nan 8.250 nan 0.000 0.439 501 V N 1.132 121.044 119.914 -0.003 0.000 2.255 501 V HA -0.284 3.836 4.120 0.000 0.000 0.247 501 V C 2.256 178.349 176.094 -0.002 0.000 1.051 501 V CA 2.403 64.701 62.300 -0.003 0.000 1.018 501 V CB -0.855 30.965 31.823 -0.005 0.000 0.641 501 V HN 0.466 nan 8.190 nan 0.000 0.445 502 T N -0.128 114.425 114.554 -0.001 0.000 2.595 502 T HA -0.287 4.063 4.350 0.000 0.000 0.264 502 T C 2.037 176.738 174.700 0.002 0.000 1.058 502 T CA 2.099 64.199 62.100 0.001 0.000 1.166 502 T CB -0.395 68.474 68.868 0.001 0.000 0.863 502 T HN 0.423 nan 8.240 nan 0.000 0.415 503 R N 0.706 121.207 120.500 0.003 0.000 2.133 503 R HA -0.149 4.191 4.340 0.000 0.000 0.247 503 R C 2.430 178.732 176.300 0.003 0.000 1.151 503 R CA 1.900 58.002 56.100 0.003 0.000 0.971 503 R CB -0.338 29.964 30.300 0.003 0.000 0.866 503 R HN 0.287 nan 8.270 nan 0.000 0.447 504 S N 0.296 115.997 115.700 0.002 0.000 2.335 504 S HA -0.041 4.429 4.470 0.000 0.000 0.217 504 S C 2.045 176.646 174.600 0.002 0.000 1.032 504 S CA 0.917 59.118 58.200 0.001 0.000 0.985 504 S CB -0.315 62.885 63.200 0.000 0.000 0.896 504 S HN 0.574 nan 8.310 nan 0.000 0.445 505 A N 1.631 124.452 122.820 0.002 0.000 1.903 505 A HA -0.176 4.144 4.320 0.000 0.000 0.219 505 A C 2.152 179.738 177.584 0.003 0.000 1.191 505 A CA 1.844 53.883 52.037 0.002 0.000 0.638 505 A CB -0.949 18.052 19.000 0.002 0.000 0.823 505 A HN 0.399 nan 8.150 nan 0.000 0.451 506 L N -0.534 120.691 121.223 0.003 0.000 1.961 506 L HA -0.214 4.127 4.340 0.000 0.000 0.210 506 L C 2.597 179.470 176.870 0.004 0.000 1.072 506 L CA 2.606 57.448 54.840 0.004 0.000 0.749 506 L CB -0.920 41.142 42.059 0.005 0.000 0.889 506 L HN 0.526 nan 8.230 nan 0.000 0.432 507 Q N -0.554 119.249 119.800 0.004 0.000 2.173 507 Q HA -0.243 4.097 4.340 0.000 0.000 0.208 507 Q C 2.020 178.021 176.000 0.003 0.000 0.989 507 Q CA 1.908 57.713 55.803 0.004 0.000 0.872 507 Q CB -0.277 28.463 28.738 0.003 0.000 0.909 507 Q HN 0.580 nan 8.270 nan 0.000 0.420 508 N N -0.009 118.693 118.700 0.003 0.000 2.080 508 N HA -0.106 4.635 4.740 0.000 0.000 0.189 508 N C 1.691 177.203 175.510 0.003 0.000 1.036 508 N CA 1.290 54.342 53.050 0.002 0.000 0.846 508 N CB -0.391 38.097 38.487 0.002 0.000 1.015 508 N HN 0.239 nan 8.380 nan 0.000 0.423 509 A N 1.424 124.246 122.820 0.003 0.000 1.859 509 A HA -0.104 4.216 4.320 0.000 0.000 0.217 509 A C 2.349 179.936 177.584 0.004 0.000 1.198 509 A CA 2.432 54.471 52.037 0.004 0.000 0.629 509 A CB -1.128 17.874 19.000 0.004 0.000 0.830 509 A HN 0.338 nan 8.150 nan 0.000 0.446 510 A N -1.173 121.649 122.820 0.004 0.000 2.076 510 A HA -0.094 4.226 4.320 0.000 0.000 0.220 510 A C 2.395 179.981 177.584 0.004 0.000 1.160 510 A CA 2.187 54.226 52.037 0.004 0.000 0.653 510 A CB -0.765 18.238 19.000 0.005 0.000 0.801 510 A HN 0.552 nan 8.150 nan 0.000 0.455 511 S N -0.672 115.029 115.700 0.003 0.000 2.357 511 S HA -0.037 4.433 4.470 0.000 0.000 0.221 511 S C 1.896 176.497 174.600 0.002 0.000 1.031 511 S CA 1.035 59.237 58.200 0.002 0.000 0.982 511 S CB -0.389 62.812 63.200 0.002 0.000 0.853 511 S HN 0.520 nan 8.310 nan 0.000 0.458 512 I N 1.278 121.849 120.570 0.002 0.000 2.163 512 I HA -0.158 4.012 4.170 0.000 0.000 0.243 512 I C 2.577 178.695 176.117 0.003 0.000 1.085 512 I CA 1.271 62.572 61.300 0.002 0.000 1.347 512 I CB -0.983 37.018 38.000 0.002 0.000 1.044 512 I HN 0.457 nan 8.210 nan 0.000 0.408 513 G N 0.521 109.323 108.800 0.003 0.000 2.545 513 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 513 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 513 G C 1.832 176.735 174.900 0.004 0.000 1.218 513 G CA 1.007 46.109 45.100 0.004 0.000 0.787 513 G HN 0.511 nan 8.290 nan 0.000 0.571 514 A N 0.216 123.039 122.820 0.004 0.000 1.948 514 A HA -0.026 4.294 4.320 0.000 0.000 0.220 514 A C 2.393 179.979 177.584 0.004 0.000 1.177 514 A CA 1.926 53.966 52.037 0.004 0.000 0.636 514 A CB -0.466 18.537 19.000 0.004 0.000 0.815 514 A HN 0.508 nan 8.150 nan 0.000 0.449 515 L N -0.009 121.215 121.223 0.003 0.000 1.970 515 L HA -0.151 4.189 4.340 0.000 0.000 0.212 515 L C 2.305 179.176 176.870 0.002 0.000 1.071 515 L CA 2.041 56.882 54.840 0.001 0.000 0.751 515 L CB -0.455 41.603 42.059 -0.000 0.000 0.889 515 L HN 0.449 nan 8.230 nan 0.000 0.432 516 I N -0.819 119.752 120.570 0.002 0.000 2.163 516 I HA -0.347 3.823 4.170 0.000 0.000 0.243 516 I C 2.404 178.524 176.117 0.006 0.000 1.085 516 I CA 1.517 62.819 61.300 0.003 0.000 1.347 516 I CB -0.410 37.592 38.000 0.003 0.000 1.044 516 I HN 0.299 nan 8.210 nan 0.000 0.408 517 L N -0.048 121.179 121.223 0.007 0.000 2.127 517 L HA -0.197 4.143 4.340 0.000 0.000 0.211 517 L C 2.174 179.050 176.870 0.011 0.000 1.089 517 L CA 1.460 56.306 54.840 0.009 0.000 0.757 517 L CB -1.070 40.994 42.059 0.009 0.000 0.899 517 L HN 0.268 nan 8.230 nan 0.000 0.434 518 T N -1.574 112.985 114.554 0.009 0.000 3.129 518 T HA 0.007 4.357 4.350 0.000 0.000 0.251 518 T C 0.790 175.495 174.700 0.010 0.000 1.117 518 T CA 0.238 62.344 62.100 0.010 0.000 1.034 518 T CB -0.165 68.707 68.868 0.007 0.000 0.968 518 T HN 0.203 nan 8.240 nan 0.000 0.526 519 T N 2.907 117.466 114.554 0.008 0.000 2.761 519 T HA 0.171 4.521 4.350 0.000 0.000 0.296 519 T C 0.733 175.440 174.700 0.013 0.000 0.934 519 T CA -0.315 61.787 62.100 0.003 0.000 1.091 519 T CB 1.035 69.899 68.868 -0.006 0.000 0.896 519 T HN 0.055 nan 8.240 nan 0.000 0.515 520 E N 1.029 121.240 120.200 0.018 0.000 2.511 520 E HA 0.426 4.776 4.350 0.000 0.000 0.209 520 E C 0.279 176.907 176.600 0.046 0.000 0.986 520 E CA -0.016 56.417 56.400 0.055 0.000 0.974 520 E CB 0.927 30.673 29.700 0.077 0.000 1.030 520 E HN 0.750 nan 8.360 nan 0.000 0.490 521 A N 0.234 123.017 122.820 -0.062 0.000 2.590 521 A HA 0.539 4.859 4.320 0.000 0.000 0.294 521 A C -1.387 176.063 177.584 -0.224 0.000 1.046 521 A CA -0.409 51.474 52.037 -0.257 0.000 0.684 521 A CB 1.224 19.995 19.000 -0.382 0.000 1.279 521 A HN 0.123 nan 8.150 nan 0.000 0.415 522 V N -0.719 119.022 119.914 -0.288 0.000 2.733 522 V HA 0.825 4.945 4.120 0.000 0.000 0.306 522 V C -1.226 174.747 176.094 -0.203 0.000 1.084 522 V CA -0.651 61.540 62.300 -0.182 0.000 0.905 522 V CB 1.556 33.313 31.823 -0.110 0.000 1.010 522 V HN 1.219 nan 8.190 nan 0.000 0.424 523 V N 5.314 125.140 119.914 -0.146 0.000 2.293 523 V HA 0.850 4.970 4.120 0.000 0.000 0.275 523 V C 0.819 176.856 176.094 -0.094 0.000 1.021 523 V CA 0.364 62.589 62.300 -0.126 0.000 0.815 523 V CB 0.539 32.300 31.823 -0.102 0.000 1.025 523 V HN 1.360 nan 8.190 nan 0.000 0.448 524 A N 4.060 126.822 122.820 -0.097 0.000 2.269 524 A HA 0.795 5.115 4.320 0.000 0.000 0.327 524 A C 0.020 177.507 177.584 -0.161 0.000 1.112 524 A CA -0.683 51.290 52.037 -0.107 0.000 0.865 524 A CB 0.732 19.684 19.000 -0.079 0.000 1.227 524 A HN 0.625 nan 8.150 nan 0.000 0.498 525 E N 0.726 120.764 120.200 -0.269 0.000 2.283 525 E HA 0.230 4.580 4.350 0.000 0.000 0.278 525 E C -0.597 175.731 176.600 -0.454 0.000 1.027 525 E CA -0.471 55.738 56.400 -0.319 0.000 0.843 525 E CB 1.418 30.930 29.700 -0.313 0.000 1.062 525 E HN 0.451 nan 8.360 nan 0.000 0.401 526 K N 3.655 123.914 120.400 -0.235 0.000 2.202 526 K HA 0.154 4.474 4.320 0.000 0.000 0.264 526 K C -2.304 174.227 176.600 -0.116 0.000 1.010 526 K CA -1.665 54.534 56.287 -0.147 0.000 0.940 526 K CB 0.042 32.503 32.500 -0.066 0.000 0.983 526 K HN 0.182 nan 8.250 nan 0.000 0.475 527 P HA -0.217 nan 4.420 nan 0.000 0.251 527 P C -0.779 176.564 177.300 0.071 0.000 1.105 527 P CA 0.825 63.986 63.100 0.102 0.000 0.775 527 P CB 0.118 31.861 31.700 0.072 0.000 0.689 528 E N 0.000 120.282 120.200 0.137 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.449 56.400 0.081 0.000 0.976 528 E CB 0.000 29.768 29.700 0.113 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440