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_B 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 VAEKPEK 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 0.000 177.546 177.584 -0.064 0.000 1.274 3 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 3 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 4 K N 0.249 120.617 120.400 -0.053 0.000 2.139 4 K HA 0.707 5.027 4.320 0.001 0.000 0.243 4 K C -0.867 175.703 176.600 -0.050 0.000 0.983 4 K CA -0.324 55.924 56.287 -0.065 0.000 0.890 4 K CB 2.086 34.554 32.500 -0.053 0.000 1.090 4 K HN 0.581 nan 8.250 nan 0.000 0.445 5 I N 1.058 121.593 120.570 -0.058 0.000 2.569 5 I HA 0.320 4.490 4.170 0.001 0.000 0.290 5 I C -1.602 174.489 176.117 -0.043 0.000 1.088 5 I CA -0.912 60.369 61.300 -0.033 0.000 1.047 5 I CB 1.220 39.201 38.000 -0.032 0.000 1.237 5 I HN 0.384 nan 8.210 nan 0.000 0.421 6 L N 7.969 129.187 121.223 -0.008 0.000 2.276 6 L HA 0.541 4.881 4.340 0.001 0.000 0.286 6 L C -0.743 176.106 176.870 -0.036 0.000 1.024 6 L CA -0.822 53.972 54.840 -0.076 0.000 0.826 6 L CB 1.554 43.614 42.059 0.003 0.000 1.211 6 L HN 0.342 nan 8.230 nan 0.000 0.422 7 V N 3.717 123.527 119.914 -0.173 0.000 2.459 7 V HA 0.500 4.621 4.120 0.001 0.000 0.295 7 V C -0.216 175.774 176.094 -0.174 0.000 1.029 7 V CA -0.312 61.965 62.300 -0.038 0.000 0.874 7 V CB 1.611 33.420 31.823 -0.022 0.000 0.985 7 V HN 0.392 nan 8.190 nan 0.000 0.438 8 F N 0.682 120.634 119.950 0.003 0.000 2.697 8 F HA 0.535 5.062 4.527 0.000 0.000 0.386 8 F C 1.071 176.873 175.800 0.004 0.000 1.154 8 F CA -0.601 57.400 58.000 0.003 0.000 1.108 8 F CB 0.254 39.255 39.000 0.002 0.000 1.429 8 F HN 0.530 nan 8.300 nan 0.000 0.509 9 D N 0.353 120.907 120.400 0.256 0.000 3.386 9 D HA -0.261 4.379 4.640 0.001 0.000 0.179 9 D C 1.523 177.872 176.300 0.082 0.000 1.267 9 D CA 1.624 55.703 54.000 0.132 0.000 0.931 9 D CB -0.082 40.781 40.800 0.106 0.000 0.533 9 D HN 0.580 nan 8.370 nan 0.000 0.543 10 E N -0.145 120.091 120.200 0.061 0.000 2.171 10 E HA -0.174 4.176 4.350 0.001 0.000 0.197 10 E C 1.945 178.570 176.600 0.042 0.000 0.997 10 E CA 1.383 57.808 56.400 0.042 0.000 0.810 10 E CB -0.492 29.228 29.700 0.033 0.000 0.738 10 E HN 0.458 nan 8.360 nan 0.000 0.467 11 A N 1.585 124.438 122.820 0.054 0.000 1.892 11 A HA -0.189 4.132 4.320 0.001 0.000 0.218 11 A C 2.452 180.059 177.584 0.039 0.000 1.188 11 A CA 2.474 54.541 52.037 0.050 0.000 0.631 11 A CB -0.692 18.350 19.000 0.069 0.000 0.822 11 A HN 0.305 nan 8.150 nan 0.000 0.447 12 A N -0.213 122.631 122.820 0.040 0.000 1.841 12 A HA -0.155 4.165 4.320 0.001 0.000 0.214 12 A C 2.229 179.819 177.584 0.011 0.000 1.195 12 A CA 1.538 53.583 52.037 0.013 0.000 0.611 12 A CB -0.553 18.443 19.000 -0.008 0.000 0.835 12 A HN 0.562 nan 8.150 nan 0.000 0.443 13 R N -1.008 119.502 120.500 0.017 0.000 2.091 13 R HA -0.126 4.214 4.340 0.001 0.000 0.238 13 R C 2.351 178.658 176.300 0.013 0.000 1.136 13 R CA 1.351 57.459 56.100 0.013 0.000 0.959 13 R CB -0.370 29.940 30.300 0.017 0.000 0.856 13 R HN 0.298 nan 8.270 nan 0.000 0.437 14 R N 0.808 121.318 120.500 0.016 0.000 2.070 14 R HA -0.052 4.288 4.340 0.001 0.000 0.233 14 R C 2.311 178.618 176.300 0.012 0.000 1.137 14 R CA 1.713 57.822 56.100 0.014 0.000 0.945 14 R CB -1.176 29.134 30.300 0.016 0.000 0.845 14 R HN 0.285 nan 8.270 nan 0.000 0.430 15 A N 1.442 124.270 122.820 0.013 0.000 1.873 15 A HA -0.162 4.158 4.320 0.001 0.000 0.218 15 A C 2.478 180.067 177.584 0.009 0.000 1.193 15 A CA 1.519 53.563 52.037 0.012 0.000 0.629 15 A CB -0.791 18.218 19.000 0.015 0.000 0.826 15 A HN 0.220 nan 8.150 nan 0.000 0.447 16 L N -0.995 120.232 121.223 0.007 0.000 1.990 16 L HA -0.279 4.061 4.340 0.001 0.000 0.213 16 L C 2.745 179.617 176.870 0.004 0.000 1.072 16 L CA 2.170 57.013 54.840 0.004 0.000 0.755 16 L CB -0.689 41.371 42.059 0.002 0.000 0.889 16 L HN 0.649 nan 8.230 nan 0.000 0.432 17 E N 0.250 120.453 120.200 0.005 0.000 2.097 17 E HA -0.285 4.066 4.350 0.001 0.000 0.196 17 E C 2.325 178.927 176.600 0.004 0.000 1.000 17 E CA 1.436 57.839 56.400 0.005 0.000 0.804 17 E CB 0.031 29.735 29.700 0.007 0.000 0.740 17 E HN 0.303 nan 8.360 nan 0.000 0.454 18 R N -0.559 119.944 120.500 0.004 0.000 2.096 18 R HA -0.152 4.188 4.340 0.001 0.000 0.240 18 R C 2.528 178.828 176.300 -0.000 0.000 1.139 18 R CA 1.431 57.532 56.100 0.002 0.000 0.952 18 R CB -0.641 29.661 30.300 0.003 0.000 0.854 18 R HN 0.331 nan 8.270 nan 0.000 0.436 19 G N 0.110 108.910 108.800 -0.000 0.000 2.421 19 G HA2 -0.226 3.734 3.960 0.001 0.000 0.216 19 G HA3 -0.226 3.734 3.960 0.001 0.000 0.216 19 G C 1.462 176.360 174.900 -0.002 0.000 1.171 19 G CA 0.918 46.016 45.100 -0.003 0.000 0.775 19 G HN 0.156 nan 8.290 nan 0.000 0.543 20 V N 1.769 121.683 119.914 0.000 0.000 2.252 20 V HA -0.262 3.859 4.120 0.001 0.000 0.249 20 V C 2.682 178.776 176.094 0.000 0.000 1.056 20 V CA 2.044 64.344 62.300 0.001 0.000 1.022 20 V CB -0.522 31.302 31.823 0.002 0.000 0.641 20 V HN 0.367 nan 8.190 nan 0.000 0.445 21 N N 0.321 119.022 118.700 0.000 0.000 2.166 21 N HA -0.133 4.607 4.740 0.001 0.000 0.186 21 N C 1.964 177.473 175.510 -0.002 0.000 1.019 21 N CA 1.613 54.663 53.050 0.000 0.000 0.856 21 N CB -0.468 38.020 38.487 0.001 0.000 0.993 21 N HN 0.505 nan 8.380 nan 0.000 0.426 22 A N 1.179 123.997 122.820 -0.003 0.000 1.884 22 A HA -0.163 4.157 4.320 0.001 0.000 0.219 22 A C 2.585 180.166 177.584 -0.006 0.000 1.197 22 A CA 1.920 53.954 52.037 -0.006 0.000 0.637 22 A CB -0.959 18.036 19.000 -0.008 0.000 0.827 22 A HN 0.124 nan 8.150 nan 0.000 0.450 23 V N -0.458 119.453 119.914 -0.006 0.000 2.283 23 V HA -0.169 3.951 4.120 0.001 0.000 0.243 23 V C 3.076 179.168 176.094 -0.004 0.000 1.039 23 V CA 1.850 64.146 62.300 -0.006 0.000 1.016 23 V CB -1.331 30.489 31.823 -0.005 0.000 0.650 23 V HN 0.651 nan 8.190 nan 0.000 0.449 24 A N 0.723 123.542 122.820 -0.002 0.000 1.917 24 A HA -0.268 4.052 4.320 0.001 0.000 0.219 24 A C 1.997 179.581 177.584 -0.000 0.000 1.182 24 A CA 2.276 54.313 52.037 -0.000 0.000 0.633 24 A CB -0.700 18.301 19.000 0.001 0.000 0.819 24 A HN 0.620 nan 8.150 nan 0.000 0.448 25 N N 0.039 118.739 118.700 -0.001 0.000 2.396 25 N HA 0.009 4.749 4.740 0.001 0.000 0.180 25 N C 1.702 177.211 175.510 -0.002 0.000 1.028 25 N CA 1.226 54.276 53.050 -0.001 0.000 0.893 25 N CB -0.413 38.074 38.487 -0.001 0.000 0.967 25 N HN 0.508 nan 8.380 nan 0.000 0.440 26 A N 0.451 123.269 122.820 -0.004 0.000 1.970 26 A HA 0.028 4.348 4.320 0.001 0.000 0.216 26 A C 2.401 179.981 177.584 -0.006 0.000 1.170 26 A CA 0.722 52.755 52.037 -0.007 0.000 0.645 26 A CB -0.342 18.653 19.000 -0.009 0.000 0.816 26 A HN 0.064 nan 8.150 nan 0.000 0.447 27 V N 1.404 121.315 119.914 -0.005 0.000 2.255 27 V HA -0.268 3.853 4.120 0.001 0.000 0.243 27 V C 2.478 178.571 176.094 -0.001 0.000 1.038 27 V CA 2.220 64.517 62.300 -0.004 0.000 1.008 27 V CB -0.851 30.970 31.823 -0.002 0.000 0.645 27 V HN 0.823 nan 8.190 nan 0.000 0.449 28 K N 0.746 121.147 120.400 0.001 0.000 2.293 28 K HA -0.188 4.132 4.320 0.001 0.000 0.204 28 K C 1.736 178.339 176.600 0.004 0.000 1.045 28 K CA 1.827 58.116 56.287 0.004 0.000 0.933 28 K CB -0.985 31.518 32.500 0.005 0.000 0.736 28 K HN 0.332 nan 8.250 nan 0.000 0.463 29 V N 2.252 122.168 119.914 0.002 0.000 2.794 29 V HA -0.245 3.876 4.120 0.001 0.000 0.260 29 V C 2.544 178.639 176.094 0.002 0.000 1.103 29 V CA 2.181 64.483 62.300 0.003 0.000 1.125 29 V CB -1.012 30.810 31.823 -0.001 0.000 0.702 29 V HN 0.786 nan 8.190 nan 0.000 0.494 30 T N -3.035 111.519 114.554 0.000 0.000 3.040 30 T HA 0.144 4.494 4.350 0.001 0.000 0.252 30 T C 0.732 175.432 174.700 -0.000 0.000 1.064 30 T CA -0.229 61.871 62.100 -0.001 0.000 1.110 30 T CB -0.128 68.738 68.868 -0.003 0.000 0.921 30 T HN 0.195 nan 8.240 nan 0.000 0.480 31 L N 2.988 124.212 121.223 0.001 0.000 2.593 31 L HA 0.395 4.735 4.340 0.001 0.000 0.287 31 L C 0.940 177.808 176.870 -0.003 0.000 1.243 31 L CA 1.821 56.661 54.840 -0.000 0.000 0.890 31 L CB -0.899 41.161 42.059 0.003 0.000 1.134 31 L HN 0.851 nan 8.230 nan 0.000 0.502 32 G N 3.908 112.700 108.800 -0.013 0.000 2.796 32 G HA2 -0.172 3.788 3.960 0.001 0.000 0.571 32 G HA3 -0.172 3.788 3.960 0.001 0.000 0.571 32 G C -1.946 172.937 174.900 -0.029 0.000 1.370 32 G CA -0.268 44.817 45.100 -0.024 0.000 0.856 32 G HN 0.645 nan 8.290 nan 0.000 0.538 33 P HA -0.048 nan 4.420 nan 0.000 0.219 33 P C 1.334 178.616 177.300 -0.030 0.000 1.150 33 P CA 1.047 64.117 63.100 -0.050 0.000 0.814 33 P CB 0.110 31.762 31.700 -0.080 0.000 0.787 34 R N 0.032 120.524 120.500 -0.013 0.000 2.317 34 R HA 0.226 4.567 4.340 0.001 0.000 0.208 34 R C 1.347 177.653 176.300 0.010 0.000 0.914 34 R CA -0.050 56.055 56.100 0.009 0.000 1.060 34 R CB -0.905 29.421 30.300 0.043 0.000 1.015 34 R HN 0.154 nan 8.270 nan 0.000 0.498 35 G N 1.185 109.986 108.800 0.002 0.000 2.559 35 G HA2 0.098 4.059 3.960 0.001 0.000 0.235 35 G HA3 0.098 4.059 3.960 0.001 0.000 0.235 35 G C -0.093 174.808 174.900 0.000 0.000 1.266 35 G CA -0.236 44.866 45.100 0.003 0.000 0.847 35 G HN 0.166 nan 8.290 nan 0.000 0.583 36 R N 0.022 120.522 120.500 0.001 0.000 2.893 36 R HA 0.378 4.719 4.340 0.001 0.000 0.245 36 R C -0.212 176.085 176.300 -0.006 0.000 1.192 36 R CA -0.914 55.185 56.100 -0.002 0.000 1.077 36 R CB 0.893 31.193 30.300 -0.000 0.000 1.253 36 R HN 0.516 nan 8.270 nan 0.000 0.505 37 N N -0.394 118.301 118.700 -0.008 0.000 2.492 37 N HA 0.350 5.090 4.740 0.001 0.000 0.289 37 N C -0.956 174.546 175.510 -0.013 0.000 1.133 37 N CA -0.459 52.584 53.050 -0.012 0.000 0.961 37 N CB 1.589 40.069 38.487 -0.013 0.000 1.186 37 N HN 0.089 nan 8.380 nan 0.000 0.493 38 V N 0.766 120.669 119.914 -0.018 0.000 2.630 38 V HA 0.415 4.535 4.120 0.001 0.000 0.305 38 V C -0.009 176.072 176.094 -0.021 0.000 1.046 38 V CA -0.815 61.474 62.300 -0.018 0.000 0.934 38 V CB 2.128 33.939 31.823 -0.020 0.000 1.003 38 V HN 0.302 nan 8.190 nan 0.000 0.451 39 V N 5.281 125.184 119.914 -0.019 0.000 2.334 39 V HA 0.418 4.538 4.120 0.001 0.000 0.281 39 V C -0.311 175.771 176.094 -0.021 0.000 1.016 39 V CA -0.356 61.933 62.300 -0.019 0.000 0.832 39 V CB 1.317 33.130 31.823 -0.016 0.000 0.999 39 V HN 0.591 nan 8.190 nan 0.000 0.439 40 L N 4.446 125.655 121.223 -0.023 0.000 2.257 40 L HA 0.510 4.850 4.340 0.001 0.000 0.290 40 L C 0.546 177.404 176.870 -0.019 0.000 1.044 40 L CA -0.302 54.525 54.840 -0.023 0.000 0.810 40 L CB 1.288 43.331 42.059 -0.027 0.000 1.193 40 L HN 0.648 nan 8.230 nan 0.000 0.425 41 E N 4.084 124.272 120.200 -0.021 0.000 2.376 41 E HA 0.086 4.437 4.350 0.001 0.000 0.266 41 E C -0.792 175.797 176.600 -0.018 0.000 1.009 41 E CA -0.343 56.044 56.400 -0.022 0.000 0.902 41 E CB 0.708 30.389 29.700 -0.031 0.000 0.972 41 E HN 0.289 nan 8.360 nan 0.000 0.439 42 K N 3.543 123.937 120.400 -0.011 0.000 2.203 42 K HA 0.196 4.516 4.320 0.001 0.000 0.251 42 K C 0.625 177.219 176.600 -0.010 0.000 0.944 42 K CA -0.591 55.702 56.287 0.009 0.000 0.829 42 K CB 1.396 33.917 32.500 0.035 0.000 1.125 42 K HN 0.465 nan 8.250 nan 0.000 0.430 43 K N 0.794 121.197 120.400 0.004 0.000 2.113 43 K HA -0.152 4.168 4.320 0.001 0.000 0.208 43 K C 0.981 177.361 176.600 -0.367 0.000 1.047 43 K CA 1.858 58.064 56.287 -0.135 0.000 0.928 43 K CB -0.055 32.450 32.500 0.009 0.000 0.716 43 K HN 0.352 nan 8.250 nan 0.000 0.446 44 F N -0.897 119.044 119.950 -0.015 0.000 2.347 44 F HA 0.211 4.739 4.527 0.001 0.000 0.266 44 F C 1.777 177.569 175.800 -0.013 0.000 0.884 44 F CA -0.089 57.903 58.000 -0.014 0.000 1.123 44 F CB -0.689 38.302 39.000 -0.015 0.000 1.098 44 F HN -0.041 nan 8.300 nan 0.000 0.803 45 G N 0.323 109.241 108.800 0.197 0.000 2.468 45 G HA2 0.305 4.266 3.960 0.001 0.000 0.264 45 G HA3 0.305 4.266 3.960 0.001 0.000 0.264 45 G C 0.178 175.109 174.900 0.052 0.000 1.460 45 G CA 0.206 45.365 45.100 0.099 0.000 1.060 45 G HN 0.321 nan 8.290 nan 0.000 0.543 46 S N 0.637 116.357 115.700 0.033 0.000 2.608 46 S HA 0.457 4.927 4.470 0.001 0.000 0.261 46 S C -1.693 172.915 174.600 0.013 0.000 1.314 46 S CA -0.639 57.571 58.200 0.017 0.000 0.992 46 S CB 1.426 64.633 63.200 0.012 0.000 0.935 46 S HN 0.558 nan 8.310 nan 0.000 0.564 47 P HA 0.299 nan 4.420 nan 0.000 0.289 47 P C -0.712 176.586 177.300 -0.004 0.000 1.299 47 P CA -0.434 62.665 63.100 -0.002 0.000 0.766 47 P CB 0.225 31.919 31.700 -0.009 0.000 1.226 48 T N 0.654 115.201 114.554 -0.012 0.000 2.771 48 T HA 0.499 4.849 4.350 0.001 0.000 0.281 48 T C 0.120 174.805 174.700 -0.026 0.000 0.982 48 T CA -0.249 61.839 62.100 -0.021 0.000 0.978 48 T CB -0.044 68.805 68.868 -0.031 0.000 0.930 48 T HN 0.184 nan 8.240 nan 0.000 0.447 49 I N 4.110 124.665 120.570 -0.025 0.000 2.405 49 I HA 0.292 4.463 4.170 0.001 0.000 0.280 49 I C 0.387 176.483 176.117 -0.034 0.000 1.027 49 I CA -0.412 60.873 61.300 -0.024 0.000 1.161 49 I CB 1.003 38.995 38.000 -0.014 0.000 1.300 49 I HN 0.587 nan 8.210 nan 0.000 0.463 50 T N 3.837 118.363 114.554 -0.047 0.000 0.000 50 T HA 0.386 4.737 4.350 0.001 0.000 0.000 50 T C 0.501 175.177 174.700 -0.040 0.000 0.000 50 T CA -0.762 61.299 62.100 -0.065 0.000 0.000 50 T CB 2.446 71.244 68.868 -0.117 0.000 0.000 50 T HN 0.537 nan 8.240 nan 0.000 0.000 51 K N 0.053 120.432 120.400 -0.035 0.000 2.586 51 K HA 0.126 4.446 4.320 0.001 0.000 0.198 51 K C -0.663 175.935 176.600 -0.004 0.000 1.170 51 K CA -0.122 56.157 56.287 -0.013 0.000 1.069 51 K CB 0.670 33.169 32.500 -0.000 0.000 0.944 51 K HN 0.594 nan 8.250 nan 0.000 0.572 52 D N -0.056 120.327 120.400 -0.029 0.000 2.232 52 D HA 0.120 4.760 4.640 0.001 0.000 0.242 52 D C 0.841 177.133 176.300 -0.012 0.000 1.093 52 D CA 0.045 54.041 54.000 -0.006 0.000 0.845 52 D CB 1.713 42.471 40.800 -0.069 0.000 1.124 52 D HN 0.328 nan 8.370 nan 0.000 0.467 53 G N 3.159 111.966 108.800 0.011 0.000 2.739 53 G HA2 -0.287 3.673 3.960 0.001 0.000 0.216 53 G HA3 -0.287 3.673 3.960 0.001 0.000 0.216 53 G C 1.684 176.584 174.900 0.000 0.000 1.298 53 G CA 2.120 47.223 45.100 0.005 0.000 0.804 53 G HN 0.536 nan 8.290 nan 0.000 0.623 54 V N -0.486 119.435 119.914 0.012 0.000 2.317 54 V HA -0.256 3.865 4.120 0.001 0.000 0.251 54 V C 2.784 178.874 176.094 -0.006 0.000 1.065 54 V CA 2.909 65.215 62.300 0.009 0.000 1.049 54 V CB -1.830 30.008 31.823 0.024 0.000 0.651 54 V HN 0.399 nan 8.190 nan 0.000 0.450 55 T N 0.592 115.131 114.554 -0.025 0.000 2.684 55 T HA -0.170 4.180 4.350 0.001 0.000 0.267 55 T C 1.957 176.633 174.700 -0.040 0.000 1.036 55 T CA 2.002 64.071 62.100 -0.052 0.000 1.148 55 T CB -0.488 68.307 68.868 -0.122 0.000 0.863 55 T HN 0.392 nan 8.240 nan 0.000 0.436 56 V N 1.775 121.667 119.914 -0.037 0.000 2.244 56 V HA -0.137 3.983 4.120 0.001 0.000 0.244 56 V C 2.964 179.047 176.094 -0.018 0.000 1.042 56 V CA 1.636 63.919 62.300 -0.027 0.000 1.006 56 V CB -1.419 30.390 31.823 -0.023 0.000 0.641 56 V HN 0.544 nan 8.190 nan 0.000 0.446 57 A N -0.101 122.711 122.820 -0.013 0.000 1.915 57 A HA -0.351 3.970 4.320 0.001 0.000 0.220 57 A C 2.238 179.817 177.584 -0.008 0.000 1.198 57 A CA 2.570 54.602 52.037 -0.008 0.000 0.647 57 A CB -0.633 18.365 19.000 -0.003 0.000 0.825 57 A HN 0.584 nan 8.150 nan 0.000 0.456 58 K N -0.821 119.574 120.400 -0.007 0.000 2.280 58 K HA -0.102 4.218 4.320 0.001 0.000 0.202 58 K C 1.573 178.168 176.600 -0.008 0.000 1.047 58 K CA 1.143 57.427 56.287 -0.005 0.000 0.942 58 K CB -0.041 32.457 32.500 -0.003 0.000 0.739 58 K HN 0.443 nan 8.250 nan 0.000 0.457 59 E N 0.524 120.717 120.200 -0.013 0.000 2.371 59 E HA -0.016 4.335 4.350 0.001 0.000 0.194 59 E C 0.144 176.735 176.600 -0.015 0.000 1.012 59 E CA 0.251 56.642 56.400 -0.014 0.000 0.860 59 E CB 0.207 29.896 29.700 -0.018 0.000 0.811 59 E HN -0.031 nan 8.360 nan 0.000 0.502 60 V N 2.357 122.262 119.914 -0.015 0.000 2.479 60 V HA 0.032 4.152 4.120 0.001 0.000 0.281 60 V C 0.095 176.178 176.094 -0.018 0.000 1.031 60 V CA 0.207 62.497 62.300 -0.016 0.000 1.038 60 V CB 0.743 32.557 31.823 -0.014 0.000 0.981 60 V HN 0.017 nan 8.190 nan 0.000 0.478 61 E N 4.768 124.954 120.200 -0.023 0.000 2.283 61 E HA 0.497 4.847 4.350 0.001 0.000 0.258 61 E C -1.073 175.504 176.600 -0.039 0.000 0.893 61 E CA -0.378 56.005 56.400 -0.029 0.000 0.798 61 E CB 1.125 30.807 29.700 -0.029 0.000 1.242 61 E HN 0.594 nan 8.360 nan 0.000 0.414 62 L N 3.481 124.678 121.223 -0.044 0.000 2.375 62 L HA 0.386 4.726 4.340 0.001 0.000 0.271 62 L C 1.556 178.375 176.870 -0.086 0.000 1.107 62 L CA -0.284 54.524 54.840 -0.053 0.000 0.806 62 L CB 1.243 43.278 42.059 -0.041 0.000 1.146 62 L HN 0.714 nan 8.230 nan 0.000 0.447 63 E N 0.885 121.034 120.200 -0.086 0.000 2.152 63 E HA -0.155 4.195 4.350 0.001 0.000 0.192 63 E C 0.106 176.604 176.600 -0.170 0.000 0.983 63 E CA 0.404 56.732 56.400 -0.119 0.000 0.818 63 E CB 0.357 30.011 29.700 -0.077 0.000 0.758 63 E HN 0.695 nan 8.360 nan 0.000 0.467 64 D N -0.456 119.878 120.400 -0.111 0.000 2.295 64 D HA -0.009 4.631 4.640 0.001 0.000 0.248 64 D C 0.955 177.206 176.300 -0.081 0.000 1.154 64 D CA -0.053 53.899 54.000 -0.080 0.000 0.857 64 D CB 0.625 41.414 40.800 -0.018 0.000 1.117 64 D HN 0.102 nan 8.370 nan 0.000 0.468 65 H N 3.493 122.558 119.070 -0.007 0.000 2.267 65 H HA -0.186 4.369 4.556 -0.001 0.000 0.291 65 H C 1.776 177.097 175.328 -0.012 0.000 1.094 65 H CA 1.584 57.626 56.048 -0.010 0.000 1.227 65 H CB -0.059 29.697 29.762 -0.011 0.000 1.351 65 H HN 0.499 nan 8.280 nan 0.000 0.483 66 L N 0.456 121.749 121.223 0.118 0.000 2.046 66 L HA -0.165 4.175 4.340 0.001 0.000 0.208 66 L C 2.539 179.426 176.870 0.029 0.000 1.077 66 L CA 1.247 56.120 54.840 0.054 0.000 0.747 66 L CB -0.509 41.570 42.059 0.035 0.000 0.896 66 L HN 0.285 nan 8.230 nan 0.000 0.432 67 E N 0.134 120.345 120.200 0.019 0.000 2.110 67 E HA -0.237 4.114 4.350 0.001 0.000 0.193 67 E C 1.881 178.480 176.600 -0.002 0.000 0.988 67 E CA 1.234 57.637 56.400 0.004 0.000 0.804 67 E CB -0.064 29.634 29.700 -0.003 0.000 0.745 67 E HN 0.386 nan 8.360 nan 0.000 0.458 68 N N 0.939 119.635 118.700 -0.008 0.000 2.142 68 N HA -0.125 4.616 4.740 0.001 0.000 0.186 68 N C 1.656 177.167 175.510 0.002 0.000 1.023 68 N CA 0.934 53.976 53.050 -0.014 0.000 0.852 68 N CB -0.063 38.403 38.487 -0.037 0.000 0.998 68 N HN 0.091 nan 8.380 nan 0.000 0.424 69 I N -0.237 120.342 120.570 0.016 0.000 2.194 69 I HA -0.224 3.946 4.170 0.001 0.000 0.246 69 I C 2.250 178.371 176.117 0.006 0.000 1.093 69 I CA 1.427 62.736 61.300 0.015 0.000 1.355 69 I CB -0.714 37.297 38.000 0.017 0.000 1.046 69 I HN 0.298 nan 8.210 nan 0.000 0.413 70 G N 0.241 109.043 108.800 0.004 0.000 2.408 70 G HA2 -0.163 3.797 3.960 0.001 0.000 0.217 70 G HA3 -0.163 3.797 3.960 0.001 0.000 0.217 70 G C 1.880 176.781 174.900 0.000 0.000 1.150 70 G CA 0.707 45.808 45.100 0.002 0.000 0.776 70 G HN 0.487 nan 8.290 nan 0.000 0.542 71 A N 0.259 123.078 122.820 -0.002 0.000 1.908 71 A HA -0.104 4.216 4.320 0.001 0.000 0.218 71 A C 2.423 180.005 177.584 -0.002 0.000 1.181 71 A CA 1.971 54.006 52.037 -0.004 0.000 0.627 71 A CB -0.355 18.640 19.000 -0.009 0.000 0.818 71 A HN 0.326 nan 8.150 nan 0.000 0.445 72 Q N -0.098 119.701 119.800 -0.000 0.000 1.993 72 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 72 Q C 2.245 178.246 176.000 0.002 0.000 0.984 72 Q CA 1.502 57.306 55.803 0.002 0.000 0.837 72 Q CB -0.768 27.973 28.738 0.004 0.000 0.902 72 Q HN 0.713 nan 8.270 nan 0.000 0.423 73 L N 0.370 121.594 121.223 0.002 0.000 2.089 73 L HA -0.243 4.097 4.340 0.001 0.000 0.213 73 L C 2.455 179.327 176.870 0.003 0.000 1.079 73 L CA 0.881 55.722 54.840 0.002 0.000 0.758 73 L CB -0.572 41.487 42.059 0.002 0.000 0.891 73 L HN 0.174 nan 8.230 nan 0.000 0.433 74 L N -0.444 120.780 121.223 0.002 0.000 2.109 74 L HA -0.146 4.194 4.340 0.001 0.000 0.207 74 L C 2.514 179.385 176.870 0.003 0.000 1.086 74 L CA 1.622 56.463 54.840 0.002 0.000 0.760 74 L CB -0.382 41.678 42.059 0.001 0.000 0.910 74 L HN 0.054 nan 8.230 nan 0.000 0.437 75 K N -0.432 119.969 120.400 0.002 0.000 2.063 75 K HA -0.276 4.044 4.320 0.001 0.000 0.208 75 K C 2.041 178.644 176.600 0.005 0.000 1.048 75 K CA 1.888 58.176 56.287 0.003 0.000 0.928 75 K CB -0.188 32.313 32.500 0.002 0.000 0.713 75 K HN 0.461 nan 8.250 nan 0.000 0.442 76 E N 0.728 120.931 120.200 0.005 0.000 2.070 76 E HA -0.209 4.142 4.350 0.001 0.000 0.197 76 E C 1.908 178.512 176.600 0.007 0.000 1.004 76 E CA 1.464 57.868 56.400 0.006 0.000 0.805 76 E CB 0.071 29.774 29.700 0.005 0.000 0.744 76 E HN 0.025 nan 8.360 nan 0.000 0.451 77 V N 1.183 121.100 119.914 0.006 0.000 2.324 77 V HA -0.339 3.781 4.120 0.001 0.000 0.250 77 V C 2.409 178.507 176.094 0.008 0.000 1.060 77 V CA 1.974 64.278 62.300 0.006 0.000 1.042 77 V CB -0.905 30.921 31.823 0.005 0.000 0.650 77 V HN 0.486 nan 8.190 nan 0.000 0.450 78 A N 0.611 123.436 122.820 0.008 0.000 1.858 78 A HA -0.218 4.102 4.320 0.001 0.000 0.216 78 A C 2.584 180.176 177.584 0.013 0.000 1.190 78 A CA 2.547 54.590 52.037 0.010 0.000 0.617 78 A CB -0.917 18.088 19.000 0.008 0.000 0.827 78 A HN 0.683 nan 8.150 nan 0.000 0.443 79 S N 0.038 115.746 115.700 0.013 0.000 2.345 79 S HA -0.213 4.257 4.470 0.001 0.000 0.220 79 S C 1.919 176.528 174.600 0.015 0.000 1.031 79 S CA 1.788 59.997 58.200 0.016 0.000 0.996 79 S CB -0.462 62.746 63.200 0.014 0.000 0.882 79 S HN 0.404 nan 8.310 nan 0.000 0.445 80 K N 1.482 121.889 120.400 0.012 0.000 2.218 80 K HA -0.048 4.272 4.320 0.001 0.000 0.205 80 K C 1.911 178.517 176.600 0.011 0.000 1.046 80 K CA 2.013 58.307 56.287 0.011 0.000 0.933 80 K CB -1.165 31.340 32.500 0.009 0.000 0.728 80 K HN 0.532 nan 8.250 nan 0.000 0.454 81 T N -0.191 114.370 114.554 0.011 0.000 2.978 81 T HA -0.037 4.313 4.350 0.001 0.000 0.262 81 T C 1.469 176.177 174.700 0.013 0.000 1.063 81 T CA 1.190 63.296 62.100 0.011 0.000 1.140 81 T CB -0.328 68.546 68.868 0.010 0.000 0.886 81 T HN 0.377 nan 8.240 nan 0.000 0.470 82 N N 1.387 120.098 118.700 0.018 0.000 2.188 82 N HA -0.104 4.637 4.740 0.001 0.000 0.184 82 N C 1.355 176.877 175.510 0.019 0.000 1.018 82 N CA 1.175 54.239 53.050 0.023 0.000 0.858 82 N CB -0.142 38.365 38.487 0.033 0.000 0.989 82 N HN 0.176 nan 8.380 nan 0.000 0.426 83 D N -0.596 119.814 120.400 0.017 0.000 2.097 83 D HA -0.066 4.574 4.640 0.001 0.000 0.197 83 D C 1.813 178.119 176.300 0.010 0.000 0.984 83 D CA 0.850 54.859 54.000 0.014 0.000 0.826 83 D CB -0.311 40.497 40.800 0.013 0.000 0.973 83 D HN 0.103 nan 8.370 nan 0.000 0.460 84 V N 0.100 120.020 119.914 0.009 0.000 3.041 84 V HA 0.060 4.180 4.120 0.001 0.000 0.260 84 V C 1.750 177.847 176.094 0.005 0.000 1.105 84 V CA 1.525 63.829 62.300 0.006 0.000 1.125 84 V CB 0.053 31.880 31.823 0.006 0.000 0.730 84 V HN 0.256 nan 8.190 nan 0.000 0.479 85 A N -1.988 120.835 122.820 0.005 0.000 2.480 85 A HA 0.510 4.830 4.320 0.001 0.000 0.191 85 A C 1.767 179.352 177.584 0.001 0.000 1.503 85 A CA 0.975 53.013 52.037 0.002 0.000 1.110 85 A CB 0.436 19.438 19.000 0.002 0.000 1.401 85 A HN 1.029 nan 8.150 nan 0.000 0.533 86 G N -0.439 108.364 108.800 0.005 0.000 2.220 86 G HA2 -0.259 3.701 3.960 0.001 0.000 0.269 86 G HA3 -0.259 3.701 3.960 0.001 0.000 0.269 86 G C -0.024 174.879 174.900 0.004 0.000 0.977 86 G CA 1.064 46.166 45.100 0.004 0.000 0.634 86 G HN 0.952 nan 8.290 nan 0.000 0.539 87 D N -2.428 117.975 120.400 0.004 0.000 2.583 87 D HA 0.585 5.225 4.640 0.001 0.000 0.248 87 D C 0.827 177.131 176.300 0.007 0.000 1.209 87 D CA 0.995 54.998 54.000 0.005 0.000 0.848 87 D CB 0.722 41.517 40.800 -0.009 0.000 1.431 87 D HN 1.341 nan 8.370 nan 0.000 0.436 88 G N 0.397 109.201 108.800 0.008 0.000 2.137 88 G HA2 -0.294 3.667 3.960 0.001 0.000 0.237 88 G HA3 -0.294 3.667 3.960 0.001 0.000 0.237 88 G C 0.919 175.825 174.900 0.009 0.000 1.002 88 G CA 1.173 46.276 45.100 0.005 0.000 0.702 88 G HN 0.742 nan 8.290 nan 0.000 0.515 89 T N -2.490 112.074 114.554 0.016 0.000 2.737 89 T HA -0.090 4.260 4.350 0.001 0.000 0.265 89 T C 2.268 176.975 174.700 0.011 0.000 1.038 89 T CA 2.362 64.472 62.100 0.016 0.000 1.144 89 T CB -0.610 68.272 68.868 0.024 0.000 0.866 89 T HN 0.306 nan 8.240 nan 0.000 0.434 90 T N 2.189 116.749 114.554 0.011 0.000 2.652 90 T HA -0.132 4.218 4.350 0.001 0.000 0.267 90 T C 2.274 176.977 174.700 0.005 0.000 1.039 90 T CA 1.958 64.061 62.100 0.007 0.000 1.153 90 T CB -1.125 67.746 68.868 0.005 0.000 0.863 90 T HN 0.484 nan 8.240 nan 0.000 0.428 91 T N 1.925 116.481 114.554 0.004 0.000 2.737 91 T HA -0.116 4.235 4.350 0.001 0.000 0.269 91 T C 2.320 177.023 174.700 0.004 0.000 1.040 91 T CA 1.282 63.383 62.100 0.002 0.000 1.142 91 T CB -0.546 68.322 68.868 -0.000 0.000 0.861 91 T HN 0.463 nan 8.240 nan 0.000 0.456 92 A N 1.157 123.980 122.820 0.005 0.000 1.930 92 A HA -0.090 4.231 4.320 0.001 0.000 0.217 92 A C 2.552 180.139 177.584 0.005 0.000 1.175 92 A CA 1.956 53.996 52.037 0.005 0.000 0.627 92 A CB -1.106 17.898 19.000 0.006 0.000 0.815 92 A HN 0.502 nan 8.150 nan 0.000 0.443 93 T N -0.122 114.436 114.554 0.005 0.000 2.643 93 T HA -0.147 4.204 4.350 0.001 0.000 0.264 93 T C 1.889 176.592 174.700 0.004 0.000 1.045 93 T CA 1.654 63.757 62.100 0.004 0.000 1.155 93 T CB -0.700 68.170 68.868 0.004 0.000 0.863 93 T HN 0.130 nan 8.240 nan 0.000 0.420 94 V N 1.803 121.720 119.914 0.004 0.000 2.231 94 V HA -0.199 3.921 4.120 0.001 0.000 0.248 94 V C 2.584 178.681 176.094 0.005 0.000 1.054 94 V CA 1.773 64.076 62.300 0.005 0.000 1.015 94 V CB -0.851 30.975 31.823 0.005 0.000 0.638 94 V HN 0.421 nan 8.190 nan 0.000 0.444 95 L N -0.160 121.066 121.223 0.005 0.000 2.127 95 L HA -0.210 4.130 4.340 0.001 0.000 0.211 95 L C 2.623 179.497 176.870 0.005 0.000 1.089 95 L CA 1.524 56.367 54.840 0.005 0.000 0.757 95 L CB -0.764 41.298 42.059 0.005 0.000 0.899 95 L HN 0.389 nan 8.230 nan 0.000 0.434 96 A N -0.574 122.249 122.820 0.005 0.000 1.855 96 A HA -0.263 4.057 4.320 0.001 0.000 0.215 96 A C 2.271 179.858 177.584 0.005 0.000 1.191 96 A CA 1.658 53.698 52.037 0.005 0.000 0.613 96 A CB -0.577 18.425 19.000 0.004 0.000 0.829 96 A HN 0.456 nan 8.150 nan 0.000 0.442 97 Q N -0.406 119.397 119.800 0.005 0.000 2.045 97 Q HA -0.201 4.139 4.340 0.001 0.000 0.206 97 Q C 2.216 178.219 176.000 0.005 0.000 0.991 97 Q CA 2.045 57.851 55.803 0.005 0.000 0.851 97 Q CB -0.411 28.330 28.738 0.004 0.000 0.911 97 Q HN 0.592 nan 8.270 nan 0.000 0.418 98 A N 0.969 123.793 122.820 0.006 0.000 1.859 98 A HA -0.236 4.085 4.320 0.001 0.000 0.217 98 A C 2.042 179.629 177.584 0.006 0.000 1.198 98 A CA 1.853 53.894 52.037 0.006 0.000 0.629 98 A CB -0.974 18.030 19.000 0.007 0.000 0.830 98 A HN 0.539 nan 8.150 nan 0.000 0.446 99 I N -0.310 120.264 120.570 0.006 0.000 2.208 99 I HA -0.236 3.935 4.170 0.001 0.000 0.245 99 I C 2.331 178.452 176.117 0.006 0.000 1.097 99 I CA 1.311 62.615 61.300 0.006 0.000 1.363 99 I CB -0.397 37.607 38.000 0.006 0.000 1.051 99 I HN 0.179 nan 8.210 nan 0.000 0.413 100 V N 1.785 121.702 119.914 0.006 0.000 2.343 100 V HA -0.266 3.855 4.120 0.001 0.000 0.247 100 V C 2.630 178.728 176.094 0.006 0.000 1.051 100 V CA 2.319 64.623 62.300 0.006 0.000 1.036 100 V CB -0.943 30.884 31.823 0.005 0.000 0.654 100 V HN 0.539 nan 8.190 nan 0.000 0.451 101 R N 0.935 121.439 120.500 0.006 0.000 2.055 101 R HA -0.150 4.190 4.340 0.001 0.000 0.228 101 R C 2.164 178.468 176.300 0.007 0.000 1.143 101 R CA 1.726 57.830 56.100 0.007 0.000 0.945 101 R CB -0.753 29.550 30.300 0.006 0.000 0.841 101 R HN 0.388 nan 8.270 nan 0.000 0.429 102 E N 0.977 121.181 120.200 0.007 0.000 2.171 102 E HA -0.122 4.229 4.350 0.001 0.000 0.197 102 E C 1.849 178.453 176.600 0.007 0.000 0.997 102 E CA 1.927 58.331 56.400 0.007 0.000 0.810 102 E CB -0.564 29.140 29.700 0.007 0.000 0.738 102 E HN 0.569 nan 8.360 nan 0.000 0.467 103 G N 0.010 108.815 108.800 0.007 0.000 2.404 103 G HA2 -0.153 3.807 3.960 0.001 0.000 0.213 103 G HA3 -0.153 3.807 3.960 0.001 0.000 0.213 103 G C 1.572 176.477 174.900 0.009 0.000 1.189 103 G CA 0.495 45.599 45.100 0.008 0.000 0.796 103 G HN 0.299 nan 8.290 nan 0.000 0.532 104 L N 0.392 121.620 121.223 0.009 0.000 2.187 104 L HA -0.076 4.264 4.340 0.001 0.000 0.213 104 L C 2.802 179.678 176.870 0.010 0.000 1.100 104 L CA 1.210 56.056 54.840 0.010 0.000 0.765 104 L CB -0.228 41.836 42.059 0.010 0.000 0.904 104 L HN 0.245 nan 8.230 nan 0.000 0.437 105 K N 0.370 120.776 120.400 0.009 0.000 1.985 105 K HA -0.184 4.136 4.320 0.001 0.000 0.210 105 K C 1.869 178.474 176.600 0.009 0.000 1.047 105 K CA 1.550 57.843 56.287 0.009 0.000 0.932 105 K CB -0.040 32.465 32.500 0.008 0.000 0.716 105 K HN 0.299 nan 8.250 nan 0.000 0.439 106 N N 0.745 119.450 118.700 0.009 0.000 2.205 106 N HA -0.148 4.592 4.740 0.001 0.000 0.186 106 N C 1.823 177.338 175.510 0.010 0.000 1.015 106 N CA 1.155 54.211 53.050 0.009 0.000 0.862 106 N CB -0.206 38.286 38.487 0.008 0.000 0.986 106 N HN 0.067 nan 8.380 nan 0.000 0.429 107 V N 1.417 121.338 119.914 0.011 0.000 2.358 107 V HA -0.133 3.988 4.120 0.001 0.000 0.246 107 V C 2.466 178.568 176.094 0.014 0.000 1.047 107 V CA 1.629 63.936 62.300 0.013 0.000 1.035 107 V CB -0.858 30.973 31.823 0.014 0.000 0.658 107 V HN 0.264 nan 8.190 nan 0.000 0.452 108 A N 0.190 123.018 122.820 0.013 0.000 1.972 108 A HA -0.037 4.283 4.320 0.001 0.000 0.219 108 A C 2.243 179.834 177.584 0.011 0.000 1.169 108 A CA 1.681 53.726 52.037 0.013 0.000 0.635 108 A CB -0.612 18.396 19.000 0.012 0.000 0.810 108 A HN 0.586 nan 8.150 nan 0.000 0.446 109 A N -1.762 121.063 122.820 0.010 0.000 2.239 109 A HA 0.381 4.701 4.320 0.001 0.000 0.209 109 A C 1.785 179.374 177.584 0.008 0.000 1.171 109 A CA 1.297 53.339 52.037 0.008 0.000 0.768 109 A CB -1.016 17.989 19.000 0.008 0.000 0.790 109 A HN 1.873 nan 8.150 nan 0.000 0.478 110 G N -2.337 106.469 108.800 0.010 0.000 2.176 110 G HA2 0.104 4.064 3.960 0.001 0.000 0.232 110 G HA3 0.104 4.064 3.960 0.001 0.000 0.232 110 G C 0.479 175.385 174.900 0.010 0.000 0.986 110 G CA 0.204 45.310 45.100 0.010 0.000 0.643 110 G HN 1.608 nan 8.290 nan 0.000 0.522 111 A N 0.001 122.827 122.820 0.010 0.000 2.483 111 A HA 0.517 4.837 4.320 0.001 0.000 0.238 111 A C 0.558 178.148 177.584 0.010 0.000 1.070 111 A CA 0.743 52.785 52.037 0.009 0.000 0.770 111 A CB 0.193 19.198 19.000 0.009 0.000 1.008 111 A HN 1.159 nan 8.150 nan 0.000 0.497 112 N N 2.543 121.249 118.700 0.010 0.000 2.401 112 N HA 0.206 4.946 4.740 0.001 0.000 0.255 112 N C -1.195 174.321 175.510 0.010 0.000 1.110 112 N CA -1.867 51.190 53.050 0.011 0.000 0.949 112 N CB 0.933 39.426 38.487 0.010 0.000 1.110 112 N HN 0.288 nan 8.380 nan 0.000 0.490 113 P HA -0.197 nan 4.420 nan 0.000 0.216 113 P C 1.354 178.659 177.300 0.009 0.000 1.150 113 P CA 1.253 64.359 63.100 0.011 0.000 0.837 113 P CB 0.303 32.010 31.700 0.012 0.000 0.786 114 L N -0.273 120.955 121.223 0.009 0.000 1.989 114 L HA -0.186 4.154 4.340 0.001 0.000 0.211 114 L C 2.893 179.768 176.870 0.007 0.000 1.071 114 L CA 1.986 56.831 54.840 0.008 0.000 0.749 114 L CB -1.583 40.481 42.059 0.008 0.000 0.890 114 L HN -0.036 nan 8.230 nan 0.000 0.431 115 A N 0.161 122.985 122.820 0.008 0.000 1.933 115 A HA -0.155 4.165 4.320 0.001 0.000 0.218 115 A C 2.296 179.884 177.584 0.007 0.000 1.175 115 A CA 1.381 53.422 52.037 0.007 0.000 0.628 115 A CB -0.725 18.279 19.000 0.007 0.000 0.814 115 A HN 0.362 nan 8.150 nan 0.000 0.444 116 L N -0.758 120.469 121.223 0.007 0.000 2.042 116 L HA -0.251 4.089 4.340 0.001 0.000 0.210 116 L C 2.654 179.528 176.870 0.007 0.000 1.076 116 L CA 2.048 56.893 54.840 0.007 0.000 0.749 116 L CB -0.443 41.621 42.059 0.008 0.000 0.893 116 L HN 0.470 nan 8.230 nan 0.000 0.432 117 K N 0.178 120.582 120.400 0.007 0.000 1.985 117 K HA -0.193 4.127 4.320 0.001 0.000 0.210 117 K C 2.299 178.903 176.600 0.006 0.000 1.047 117 K CA 1.375 57.666 56.287 0.006 0.000 0.932 117 K CB -0.031 32.473 32.500 0.006 0.000 0.716 117 K HN 0.153 nan 8.250 nan 0.000 0.439 118 R N -0.501 120.003 120.500 0.006 0.000 2.113 118 R HA -0.175 4.165 4.340 0.001 0.000 0.244 118 R C 2.446 178.749 176.300 0.006 0.000 1.142 118 R CA 1.681 57.785 56.100 0.006 0.000 0.953 118 R CB -0.769 29.535 30.300 0.006 0.000 0.860 118 R HN 0.427 nan 8.270 nan 0.000 0.438 119 G N 1.024 109.828 108.800 0.006 0.000 2.418 119 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 119 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 119 G C 1.483 176.387 174.900 0.006 0.000 1.158 119 G CA 0.622 45.725 45.100 0.006 0.000 0.771 119 G HN 0.187 nan 8.290 nan 0.000 0.545 120 I N 0.452 121.026 120.570 0.006 0.000 2.179 120 I HA -0.155 4.016 4.170 0.001 0.000 0.242 120 I C 2.770 178.890 176.117 0.006 0.000 1.088 120 I CA 1.284 62.588 61.300 0.006 0.000 1.357 120 I CB -0.307 37.697 38.000 0.006 0.000 1.051 120 I HN 0.256 nan 8.210 nan 0.000 0.409 121 E N 1.114 121.318 120.200 0.006 0.000 2.023 121 E HA -0.257 4.094 4.350 0.001 0.000 0.196 121 E C 2.193 178.797 176.600 0.006 0.000 1.003 121 E CA 1.463 57.866 56.400 0.006 0.000 0.809 121 E CB -0.079 29.625 29.700 0.005 0.000 0.755 121 E HN 0.418 nan 8.360 nan 0.000 0.449 122 K N 0.458 120.862 120.400 0.006 0.000 2.063 122 K HA -0.176 4.145 4.320 0.001 0.000 0.208 122 K C 2.249 178.853 176.600 0.006 0.000 1.048 122 K CA 1.187 57.477 56.287 0.006 0.000 0.928 122 K CB -0.241 32.263 32.500 0.006 0.000 0.713 122 K HN 0.084 nan 8.250 nan 0.000 0.442 123 A N 1.263 124.087 122.820 0.007 0.000 1.883 123 A HA -0.144 4.177 4.320 0.001 0.000 0.217 123 A C 2.453 180.042 177.584 0.007 0.000 1.186 123 A CA 1.664 53.706 52.037 0.007 0.000 0.624 123 A CB -0.779 18.225 19.000 0.007 0.000 0.822 123 A HN 0.084 nan 8.150 nan 0.000 0.444 124 V N 0.125 120.044 119.914 0.007 0.000 2.343 124 V HA -0.293 3.827 4.120 0.001 0.000 0.247 124 V C 2.392 178.490 176.094 0.007 0.000 1.051 124 V CA 2.290 64.594 62.300 0.007 0.000 1.036 124 V CB -1.002 30.825 31.823 0.006 0.000 0.654 124 V HN 0.628 nan 8.190 nan 0.000 0.451 125 E N 0.500 120.703 120.200 0.006 0.000 2.033 125 E HA -0.280 4.071 4.350 0.001 0.000 0.199 125 E C 2.379 178.983 176.600 0.007 0.000 1.011 125 E CA 1.548 57.952 56.400 0.006 0.000 0.815 125 E CB -0.432 29.272 29.700 0.006 0.000 0.755 125 E HN 0.586 nan 8.360 nan 0.000 0.451 126 A N 1.444 124.268 122.820 0.007 0.000 1.917 126 A HA -0.216 4.105 4.320 0.001 0.000 0.219 126 A C 2.387 179.976 177.584 0.008 0.000 1.182 126 A CA 2.057 54.099 52.037 0.008 0.000 0.633 126 A CB -0.751 18.253 19.000 0.008 0.000 0.819 126 A HN 0.327 nan 8.150 nan 0.000 0.448 127 A N -0.605 122.220 122.820 0.008 0.000 1.877 127 A HA -0.006 4.314 4.320 0.001 0.000 0.216 127 A C 2.241 179.829 177.584 0.008 0.000 1.186 127 A CA 1.855 53.897 52.037 0.009 0.000 0.620 127 A CB -1.044 17.961 19.000 0.008 0.000 0.822 127 A HN 0.459 nan 8.150 nan 0.000 0.443 128 V N 0.112 120.030 119.914 0.007 0.000 2.287 128 V HA -0.301 3.819 4.120 0.001 0.000 0.248 128 V C 2.503 178.601 176.094 0.007 0.000 1.053 128 V CA 2.356 64.659 62.300 0.007 0.000 1.027 128 V CB -0.869 30.958 31.823 0.006 0.000 0.646 128 V HN 0.752 nan 8.190 nan 0.000 0.447 129 E N 0.283 120.487 120.200 0.007 0.000 2.097 129 E HA -0.333 4.018 4.350 0.001 0.000 0.196 129 E C 2.189 178.794 176.600 0.008 0.000 1.000 129 E CA 1.779 58.183 56.400 0.007 0.000 0.804 129 E CB -0.038 29.666 29.700 0.007 0.000 0.740 129 E HN 0.490 nan 8.360 nan 0.000 0.454 130 K N 0.645 121.050 120.400 0.009 0.000 2.155 130 K HA -0.068 4.252 4.320 0.001 0.000 0.203 130 K C 1.843 178.449 176.600 0.010 0.000 1.052 130 K CA 0.968 57.261 56.287 0.011 0.000 0.948 130 K CB -0.168 32.339 32.500 0.012 0.000 0.728 130 K HN 0.186 nan 8.250 nan 0.000 0.448 131 I N 0.681 121.257 120.570 0.009 0.000 2.142 131 I HA -0.327 3.843 4.170 0.001 0.000 0.240 131 I C 2.086 178.207 176.117 0.007 0.000 1.078 131 I CA 1.473 62.778 61.300 0.008 0.000 1.343 131 I CB -0.324 37.679 38.000 0.006 0.000 1.046 131 I HN 0.146 nan 8.210 nan 0.000 0.405 132 K N 1.230 121.634 120.400 0.007 0.000 2.009 132 K HA -0.188 4.132 4.320 0.001 0.000 0.210 132 K C 2.306 178.910 176.600 0.007 0.000 1.049 132 K CA 1.696 57.986 56.287 0.006 0.000 0.929 132 K CB -0.483 32.020 32.500 0.006 0.000 0.714 132 K HN 0.314 nan 8.250 nan 0.000 0.440 133 A N 1.306 124.130 122.820 0.008 0.000 1.997 133 A HA -0.180 4.141 4.320 0.001 0.000 0.221 133 A C 1.946 179.536 177.584 0.010 0.000 1.172 133 A CA 1.583 53.625 52.037 0.009 0.000 0.645 133 A CB -0.619 18.387 19.000 0.010 0.000 0.813 133 A HN 0.247 nan 8.150 nan 0.000 0.454 134 L N -1.190 120.040 121.223 0.011 0.000 2.640 134 L HA 0.278 4.618 4.340 0.001 0.000 0.230 134 L C 1.196 178.072 176.870 0.010 0.000 1.123 134 L CA -0.106 54.741 54.840 0.012 0.000 0.900 134 L CB -0.200 41.867 42.059 0.015 0.000 1.146 134 L HN 0.350 nan 8.230 nan 0.000 0.484 135 A N 1.011 123.835 122.820 0.008 0.000 2.462 135 A HA 0.478 4.799 4.320 0.001 0.000 0.243 135 A C -0.205 177.383 177.584 0.006 0.000 1.076 135 A CA 0.201 52.241 52.037 0.006 0.000 0.773 135 A CB 0.219 19.222 19.000 0.005 0.000 1.010 135 A HN 0.186 nan 8.150 nan 0.000 0.493 136 I N 2.760 123.333 120.570 0.005 0.000 2.498 136 I HA 0.305 4.475 4.170 0.001 0.000 0.290 136 I C -2.407 173.712 176.117 0.004 0.000 1.032 136 I CA -2.249 59.054 61.300 0.005 0.000 1.073 136 I CB 2.675 40.678 38.000 0.005 0.000 1.251 136 I HN 0.422 nan 8.210 nan 0.000 0.426 137 P HA 0.098 nan 4.420 nan 0.000 0.275 137 P C -0.754 176.548 177.300 0.003 0.000 1.227 137 P CA -0.261 62.841 63.100 0.004 0.000 0.781 137 P CB 0.647 32.349 31.700 0.004 0.000 0.906 138 V N 3.699 123.615 119.914 0.003 0.000 2.521 138 V HA 0.074 4.194 4.120 0.001 0.000 0.286 138 V C 1.051 177.148 176.094 0.005 0.000 1.034 138 V CA 0.704 63.006 62.300 0.003 0.000 1.045 138 V CB 0.004 31.829 31.823 0.003 0.000 0.974 138 V HN 0.637 nan 8.190 nan 0.000 0.480 139 E N 2.587 122.789 120.200 0.005 0.000 2.789 139 E HA 0.189 4.539 4.350 0.001 0.000 0.217 139 E C -0.588 176.016 176.600 0.006 0.000 0.970 139 E CA -0.120 56.283 56.400 0.006 0.000 1.201 139 E CB 0.794 30.497 29.700 0.005 0.000 1.069 139 E HN 1.003 nan 8.360 nan 0.000 0.499 140 D N -1.060 119.344 120.400 0.007 0.000 2.710 140 D HA 0.051 4.691 4.640 0.001 0.000 0.276 140 D C 0.474 176.780 176.300 0.010 0.000 1.267 140 D CA -0.714 53.291 54.000 0.008 0.000 0.772 140 D CB 0.957 41.761 40.800 0.006 0.000 1.299 140 D HN -0.243 nan 8.370 nan 0.000 0.421 141 R N 0.584 121.091 120.500 0.012 0.000 2.133 141 R HA -0.188 4.152 4.340 0.001 0.000 0.247 141 R C 1.816 178.123 176.300 0.012 0.000 1.151 141 R CA 1.866 57.975 56.100 0.016 0.000 0.971 141 R CB -0.302 30.008 30.300 0.018 0.000 0.866 141 R HN 0.589 nan 8.270 nan 0.000 0.447 142 K N -0.345 120.060 120.400 0.008 0.000 1.973 142 K HA -0.095 4.225 4.320 0.001 0.000 0.210 142 K C 2.005 178.605 176.600 0.001 0.000 1.045 142 K CA 1.407 57.697 56.287 0.004 0.000 0.937 142 K CB -0.277 32.224 32.500 0.002 0.000 0.721 142 K HN 0.154 nan 8.250 nan 0.000 0.438 143 A N 1.657 124.478 122.820 0.002 0.000 1.971 143 A HA -0.230 4.091 4.320 0.001 0.000 0.222 143 A C 2.121 179.704 177.584 -0.001 0.000 1.182 143 A CA 1.939 53.976 52.037 -0.001 0.000 0.649 143 A CB -0.716 18.284 19.000 0.001 0.000 0.818 143 A HN 0.441 nan 8.150 nan 0.000 0.458 144 I N -1.478 119.094 120.570 0.003 0.000 2.333 144 I HA -0.174 3.997 4.170 0.001 0.000 0.246 144 I C 2.530 178.648 176.117 0.001 0.000 1.106 144 I CA 1.464 62.766 61.300 0.004 0.000 1.411 144 I CB -0.463 37.543 38.000 0.011 0.000 1.082 144 I HN 0.557 nan 8.210 nan 0.000 0.420 145 E N 1.362 121.565 120.200 0.004 0.000 2.130 145 E HA -0.272 4.078 4.350 0.001 0.000 0.196 145 E C 1.874 178.467 176.600 -0.012 0.000 0.998 145 E CA 1.640 58.040 56.400 0.001 0.000 0.806 145 E CB 0.116 29.819 29.700 0.004 0.000 0.738 145 E HN 0.498 nan 8.360 nan 0.000 0.459 146 E N -0.098 120.094 120.200 -0.014 0.000 2.001 146 E HA -0.183 4.167 4.350 0.001 0.000 0.195 146 E C 2.271 178.854 176.600 -0.027 0.000 1.002 146 E CA 1.451 57.838 56.400 -0.023 0.000 0.819 146 E CB -0.210 29.478 29.700 -0.020 0.000 0.769 146 E HN 0.109 nan 8.360 nan 0.000 0.454 147 V N 1.742 121.643 119.914 -0.022 0.000 2.277 147 V HA -0.380 3.740 4.120 0.001 0.000 0.255 147 V C 2.352 178.428 176.094 -0.030 0.000 1.074 147 V CA 2.251 64.537 62.300 -0.023 0.000 1.058 147 V CB -0.894 30.919 31.823 -0.015 0.000 0.656 147 V HN 0.410 nan 8.190 nan 0.000 0.449 148 A N -0.872 121.932 122.820 -0.027 0.000 1.873 148 A HA -0.200 4.120 4.320 0.001 0.000 0.215 148 A C 2.378 179.926 177.584 -0.060 0.000 1.186 148 A CA 2.349 54.364 52.037 -0.036 0.000 0.616 148 A CB -1.026 17.964 19.000 -0.017 0.000 0.823 148 A HN 0.514 nan 8.150 nan 0.000 0.442 149 T N 0.591 115.112 114.554 -0.054 0.000 2.665 149 T HA -0.163 4.187 4.350 0.001 0.000 0.268 149 T C 1.801 176.457 174.700 -0.073 0.000 1.035 149 T CA 1.702 63.761 62.100 -0.068 0.000 1.151 149 T CB -0.464 68.372 68.868 -0.053 0.000 0.862 149 T HN 0.415 nan 8.240 nan 0.000 0.438 150 I N 0.650 121.183 120.570 -0.062 0.000 2.090 150 I HA -0.181 3.990 4.170 0.001 0.000 0.236 150 I C 2.816 178.896 176.117 -0.062 0.000 1.064 150 I CA 1.144 62.406 61.300 -0.062 0.000 1.324 150 I CB -0.533 37.433 38.000 -0.056 0.000 1.044 150 I HN 0.218 nan 8.210 nan 0.000 0.399 151 S N 0.299 115.965 115.700 -0.056 0.000 2.407 151 S HA -0.227 4.244 4.470 0.001 0.000 0.235 151 S C 1.920 176.480 174.600 -0.067 0.000 1.036 151 S CA 1.732 59.901 58.200 -0.053 0.000 1.013 151 S CB -0.189 62.983 63.200 -0.047 0.000 0.820 151 S HN 0.512 nan 8.310 nan 0.000 0.476 152 A N 0.284 123.046 122.820 -0.096 0.000 2.147 152 A HA 0.321 4.641 4.320 0.001 0.000 0.211 152 A C 0.885 178.399 177.584 -0.117 0.000 1.160 152 A CA 0.738 52.695 52.037 -0.134 0.000 0.781 152 A CB -0.429 18.436 19.000 -0.225 0.000 0.842 152 A HN 0.642 nan 8.150 nan 0.000 0.475 153 N N 0.074 118.717 118.700 -0.094 0.000 2.727 153 N HA -0.150 4.590 4.740 0.001 0.000 0.251 153 N C -1.168 174.286 175.510 -0.092 0.000 1.040 153 N CA 1.120 54.122 53.050 -0.081 0.000 0.712 153 N CB -0.887 37.562 38.487 -0.063 0.000 0.912 153 N HN 0.554 nan 8.380 nan 0.000 0.545 154 D N -2.024 118.312 120.400 -0.107 0.000 2.726 154 D HA 0.219 4.860 4.640 0.001 0.000 0.203 154 D C -2.350 173.889 176.300 -0.101 0.000 1.297 154 D CA -1.130 52.804 54.000 -0.111 0.000 0.863 154 D CB 1.466 42.171 40.800 -0.159 0.000 1.669 154 D HN -0.096 nan 8.370 nan 0.000 0.561 155 P HA -0.042 nan 4.420 nan 0.000 0.216 155 P C 1.001 178.275 177.300 -0.043 0.000 1.153 155 P CA 1.043 64.113 63.100 -0.051 0.000 0.848 155 P CB 0.584 32.263 31.700 -0.036 0.000 0.787 156 E N -0.368 119.806 120.200 -0.043 0.000 2.023 156 E HA -0.144 4.206 4.350 0.001 0.000 0.196 156 E C 2.047 178.639 176.600 -0.014 0.000 1.003 156 E CA 1.298 57.690 56.400 -0.014 0.000 0.809 156 E CB -0.959 28.740 29.700 -0.003 0.000 0.755 156 E HN -0.014 nan 8.360 nan 0.000 0.449 157 V N 1.085 120.916 119.914 -0.138 0.000 2.324 157 V HA -0.254 3.866 4.120 0.001 0.000 0.250 157 V C 2.371 178.425 176.094 -0.066 0.000 1.060 157 V CA 2.119 64.255 62.300 -0.273 0.000 1.042 157 V CB -1.031 30.361 31.823 -0.718 0.000 0.650 157 V HN 0.474 nan 8.190 nan 0.000 0.450 158 G N -1.013 107.740 108.800 -0.077 0.000 2.470 158 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 158 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 158 G C 1.614 176.521 174.900 0.012 0.000 1.121 158 G CA 0.953 46.035 45.100 -0.030 0.000 0.766 158 G HN 0.504 nan 8.290 nan 0.000 0.553 159 K N 0.187 120.601 120.400 0.023 0.000 1.980 159 K HA 0.092 4.412 4.320 0.001 0.000 0.208 159 K C 2.498 179.139 176.600 0.068 0.000 1.043 159 K CA 0.562 56.873 56.287 0.040 0.000 0.938 159 K CB -0.374 32.149 32.500 0.038 0.000 0.724 159 K HN 0.275 nan 8.250 nan 0.000 0.438 160 L N 1.490 122.775 121.223 0.103 0.000 2.051 160 L HA -0.250 4.091 4.340 0.001 0.000 0.214 160 L C 2.552 179.476 176.870 0.089 0.000 1.076 160 L CA 0.992 55.898 54.840 0.109 0.000 0.758 160 L CB -0.639 41.521 42.059 0.168 0.000 0.890 160 L HN 0.315 nan 8.230 nan 0.000 0.433 161 I N 0.226 120.868 120.570 0.120 0.000 2.286 161 I HA -0.238 3.933 4.170 0.001 0.000 0.248 161 I C 2.827 178.976 176.117 0.053 0.000 1.115 161 I CA 1.630 62.980 61.300 0.084 0.000 1.392 161 I CB -1.403 36.650 38.000 0.088 0.000 1.065 161 I HN 0.200 nan 8.210 nan 0.000 0.418 162 A N 0.540 123.392 122.820 0.052 0.000 1.872 162 A HA -0.173 4.147 4.320 0.001 0.000 0.214 162 A C 2.025 179.648 177.584 0.065 0.000 1.187 162 A CA 1.550 53.614 52.037 0.046 0.000 0.614 162 A CB -0.506 18.515 19.000 0.035 0.000 0.826 162 A HN 0.314 nan 8.150 nan 0.000 0.442 163 D N 0.368 120.815 120.400 0.079 0.000 2.087 163 D HA -0.125 4.515 4.640 0.001 0.000 0.192 163 D C 2.319 178.730 176.300 0.186 0.000 0.993 163 D CA 1.794 55.866 54.000 0.121 0.000 0.828 163 D CB -0.606 40.272 40.800 0.130 0.000 0.968 163 D HN 0.385 nan 8.370 nan 0.000 0.448 164 A N 1.058 123.953 122.820 0.125 0.000 1.841 164 A HA -0.232 4.089 4.320 0.001 0.000 0.216 164 A C 2.239 179.898 177.584 0.124 0.000 1.199 164 A CA 2.491 54.571 52.037 0.072 0.000 0.621 164 A CB -0.854 18.057 19.000 -0.149 0.000 0.835 164 A HN 0.219 nan 8.150 nan 0.000 0.445 165 M N 0.123 119.760 119.600 0.063 0.000 2.116 165 M HA -0.257 4.223 4.480 0.001 0.000 0.255 165 M C 1.886 178.232 176.300 0.076 0.000 1.075 165 M CA 2.625 57.959 55.300 0.056 0.000 1.087 165 M CB -0.513 32.110 32.600 0.038 0.000 1.340 165 M HN 0.650 nan 8.290 nan 0.000 0.402 166 E N -0.076 120.177 120.200 0.088 0.000 2.047 166 E HA -0.201 4.149 4.350 0.001 0.000 0.191 166 E C 0.684 177.332 176.600 0.081 0.000 0.987 166 E CA 1.233 57.677 56.400 0.072 0.000 0.799 166 E CB -0.063 29.674 29.700 0.061 0.000 0.752 166 E HN 0.537 nan 8.360 nan 0.000 0.449 167 K N 0.065 120.549 120.400 0.140 0.000 2.911 167 K HA 0.126 4.446 4.320 0.001 0.000 0.239 167 K C -0.139 176.581 176.600 0.201 0.000 1.090 167 K CA -0.181 56.166 56.287 0.099 0.000 1.225 167 K CB 1.004 33.466 32.500 -0.063 0.000 1.087 167 K HN 0.001 nan 8.250 nan 0.000 0.464 168 V N -1.076 118.931 119.914 0.154 0.000 3.777 168 V HA 0.133 4.253 4.120 0.001 0.000 0.285 168 V C 0.400 176.537 176.094 0.071 0.000 1.668 168 V CA -0.077 62.304 62.300 0.134 0.000 1.178 168 V CB 0.546 32.457 31.823 0.148 0.000 0.962 168 V HN 0.574 nan 8.190 nan 0.000 0.411 169 G N 2.463 111.298 108.800 0.057 0.000 2.825 169 G HA2 -0.265 3.695 3.960 0.001 0.000 0.684 169 G HA3 -0.265 3.695 3.960 0.001 0.000 0.684 169 G C 0.522 175.441 174.900 0.031 0.000 1.528 169 G CA 0.356 45.478 45.100 0.036 0.000 0.963 169 G HN 0.686 nan 8.290 nan 0.000 0.577 170 K N -0.337 120.076 120.400 0.023 0.000 2.280 170 K HA -0.021 4.300 4.320 0.001 0.000 0.202 170 K C 1.474 178.083 176.600 0.014 0.000 1.047 170 K CA 2.009 58.306 56.287 0.017 0.000 0.942 170 K CB 0.128 32.636 32.500 0.013 0.000 0.739 170 K HN 0.625 nan 8.250 nan 0.000 0.457 171 E N 1.208 121.417 120.200 0.016 0.000 2.465 171 E HA 0.075 4.425 4.350 0.001 0.000 0.191 171 E C 0.814 177.423 176.600 0.015 0.000 1.053 171 E CA -0.218 56.190 56.400 0.013 0.000 0.869 171 E CB 0.573 30.280 29.700 0.013 0.000 0.977 171 E HN 0.482 nan 8.360 nan 0.000 0.483 172 G N 1.035 109.847 108.800 0.020 0.000 2.525 172 G HA2 0.393 4.353 3.960 0.001 0.000 0.276 172 G HA3 0.393 4.353 3.960 0.001 0.000 0.276 172 G C -0.208 174.698 174.900 0.009 0.000 1.388 172 G CA -0.424 44.689 45.100 0.023 0.000 1.050 172 G HN 0.061 nan 8.290 nan 0.000 0.520 173 I N -0.011 120.560 120.570 0.001 0.000 2.534 173 I HA 0.354 4.524 4.170 0.001 0.000 0.288 173 I C -0.820 175.270 176.117 -0.045 0.000 1.077 173 I CA -0.420 60.868 61.300 -0.019 0.000 1.051 173 I CB 2.103 40.091 38.000 -0.021 0.000 1.234 173 I HN 0.201 nan 8.210 nan 0.000 0.425 174 I N 5.030 125.567 120.570 -0.055 0.000 2.530 174 I HA 0.486 4.657 4.170 0.001 0.000 0.297 174 I C -0.407 175.655 176.117 -0.091 0.000 1.011 174 I CA -0.448 60.798 61.300 -0.091 0.000 1.107 174 I CB 2.353 40.305 38.000 -0.080 0.000 1.285 174 I HN 0.398 nan 8.210 nan 0.000 0.436 175 T N 4.399 118.879 114.554 -0.124 0.000 2.876 175 T HA 0.464 4.815 4.350 0.001 0.000 0.289 175 T C -0.599 174.012 174.700 -0.148 0.000 1.014 175 T CA -0.460 61.572 62.100 -0.113 0.000 0.986 175 T CB 2.329 71.135 68.868 -0.104 0.000 1.021 175 T HN 0.186 nan 8.240 nan 0.000 0.458 176 V N 3.412 123.251 119.914 -0.125 0.000 2.347 176 V HA 0.479 4.599 4.120 0.001 0.000 0.280 176 V C 0.079 176.101 176.094 -0.122 0.000 1.021 176 V CA -0.545 61.659 62.300 -0.161 0.000 0.847 176 V CB 1.226 32.979 31.823 -0.117 0.000 0.990 176 V HN 0.834 nan 8.190 nan 0.000 0.444 177 E N 2.344 122.456 120.200 -0.147 0.000 2.320 177 E HA 0.434 4.784 4.350 0.001 0.000 0.264 177 E C -0.839 175.704 176.600 -0.095 0.000 0.923 177 E CA -0.871 55.468 56.400 -0.101 0.000 0.796 177 E CB 2.464 32.105 29.700 -0.098 0.000 1.262 177 E HN 0.704 nan 8.360 nan 0.000 0.428 178 E N 1.451 121.615 120.200 -0.059 0.000 1.963 178 E HA 0.118 4.468 4.350 0.001 0.000 0.274 178 E C -0.383 176.190 176.600 -0.045 0.000 1.061 178 E CA -0.200 56.174 56.400 -0.043 0.000 0.847 178 E CB 0.679 30.366 29.700 -0.022 0.000 1.083 178 E HN 0.380 nan 8.360 nan 0.000 0.402 179 S N 3.527 119.195 115.700 -0.054 0.000 2.611 179 S HA 0.025 4.496 4.470 0.001 0.000 0.252 179 S C 0.967 175.550 174.600 -0.029 0.000 1.369 179 S CA 0.063 58.234 58.200 -0.047 0.000 0.975 179 S CB 0.605 63.776 63.200 -0.049 0.000 0.937 179 S HN 0.509 nan 8.310 nan 0.000 0.584 180 K N 0.215 120.600 120.400 -0.025 0.000 2.399 180 K HA 0.189 4.510 4.320 0.001 0.000 0.196 180 K C 1.003 177.596 176.600 -0.011 0.000 1.117 180 K CA 0.399 56.675 56.287 -0.017 0.000 0.965 180 K CB -0.300 32.189 32.500 -0.018 0.000 0.983 180 K HN 0.716 nan 8.250 nan 0.000 0.531 181 S N 0.332 116.025 115.700 -0.012 0.000 2.655 181 S HA 0.255 4.725 4.470 0.001 0.000 0.265 181 S C 1.439 176.039 174.600 -0.001 0.000 1.240 181 S CA -0.543 57.654 58.200 -0.006 0.000 0.986 181 S CB 0.615 63.812 63.200 -0.006 0.000 0.985 181 S HN 0.070 nan 8.310 nan 0.000 0.562 182 L N -0.332 120.893 121.223 0.004 0.000 2.376 182 L HA 0.184 4.524 4.340 0.001 0.000 0.219 182 L C 1.370 178.248 176.870 0.015 0.000 1.133 182 L CA 0.853 55.699 54.840 0.009 0.000 0.816 182 L CB -0.418 41.647 42.059 0.009 0.000 0.933 182 L HN 0.765 nan 8.230 nan 0.000 0.449 183 E N -0.270 119.936 120.200 0.011 0.000 2.214 183 E HA 0.210 4.561 4.350 0.001 0.000 0.274 183 E C -0.674 175.931 176.600 0.008 0.000 0.977 183 E CA -0.493 55.916 56.400 0.015 0.000 0.827 183 E CB 1.427 31.135 29.700 0.013 0.000 1.130 183 E HN -0.120 nan 8.360 nan 0.000 0.394 184 T N 3.304 117.870 114.554 0.020 0.000 2.856 184 T HA 0.266 4.617 4.350 0.001 0.000 0.292 184 T C -0.696 173.989 174.700 -0.025 0.000 0.980 184 T CA -0.396 61.700 62.100 -0.006 0.000 1.091 184 T CB 0.830 69.728 68.868 0.049 0.000 0.936 184 T HN 0.406 nan 8.240 nan 0.000 0.503 185 E N 1.327 121.485 120.200 -0.070 0.000 2.288 185 E HA 0.529 4.879 4.350 0.001 0.000 0.268 185 E C -1.327 175.205 176.600 -0.113 0.000 0.885 185 E CA -1.007 55.356 56.400 -0.063 0.000 0.767 185 E CB 2.172 31.844 29.700 -0.047 0.000 1.220 185 E HN 0.249 nan 8.360 nan 0.000 0.427 186 L N 2.153 123.322 121.223 -0.089 0.000 2.296 186 L HA 0.493 4.833 4.340 0.001 0.000 0.286 186 L C -1.360 175.431 176.870 -0.132 0.000 1.023 186 L CA -0.135 54.610 54.840 -0.159 0.000 0.812 186 L CB 0.597 42.585 42.059 -0.119 0.000 1.223 186 L HN 0.431 nan 8.230 nan 0.000 0.421 187 K N 4.900 125.159 120.400 -0.236 0.000 2.498 187 K HA 0.541 4.861 4.320 0.001 0.000 0.254 187 K C -1.545 174.913 176.600 -0.238 0.000 0.933 187 K CA -0.464 55.758 56.287 -0.108 0.000 0.806 187 K CB 2.003 34.473 32.500 -0.049 0.000 1.301 187 K HN 0.298 nan 8.250 nan 0.000 0.432 188 F N 0.734 120.661 119.950 -0.038 0.000 2.432 188 F HA 0.494 5.021 4.527 0.001 0.000 0.329 188 F C 0.406 176.183 175.800 -0.039 0.000 1.076 188 F CA -0.908 57.070 58.000 -0.036 0.000 1.018 188 F CB 1.186 40.170 39.000 -0.028 0.000 1.201 188 F HN 0.050 nan 8.300 nan 0.000 0.489 189 V N 0.748 120.740 119.914 0.129 0.000 2.994 189 V HA 0.486 4.606 4.120 0.001 0.000 0.318 189 V C -1.039 175.089 176.094 0.057 0.000 1.085 189 V CA -0.777 61.554 62.300 0.051 0.000 0.998 189 V CB 2.183 34.000 31.823 -0.010 0.000 1.063 189 V HN 0.718 nan 8.190 nan 0.000 0.447 190 E N 1.006 121.221 120.200 0.024 0.000 2.182 190 E HA 0.577 4.928 4.350 0.001 0.000 0.258 190 E C 0.179 176.792 176.600 0.021 0.000 0.879 190 E CA 0.758 57.172 56.400 0.024 0.000 0.754 190 E CB 1.116 30.825 29.700 0.016 0.000 1.162 190 E HN 1.072 nan 8.360 nan 0.000 0.419 191 G N 3.009 111.830 108.800 0.035 0.000 2.569 191 G HA2 -0.350 3.610 3.960 0.001 0.000 0.259 191 G HA3 -0.350 3.610 3.960 0.001 0.000 0.259 191 G C -0.943 174.002 174.900 0.075 0.000 1.263 191 G CA 0.109 45.248 45.100 0.065 0.000 0.928 191 G HN 0.548 nan 8.290 nan 0.000 0.572 192 Y N 2.326 122.639 120.300 0.021 0.000 2.308 192 Y HA 0.572 5.122 4.550 0.001 0.000 0.329 192 Y C 0.521 176.437 175.900 0.026 0.000 1.111 192 Y CA 0.517 58.646 58.100 0.048 0.000 1.179 192 Y CB 1.354 39.863 38.460 0.081 0.000 1.201 192 Y HN 0.979 nan 8.280 nan 0.000 0.483 193 Q N 4.690 124.356 119.800 -0.224 0.000 2.472 193 Q HA 0.602 4.942 4.340 0.001 0.000 0.281 193 Q C -2.110 173.792 176.000 -0.163 0.000 0.997 193 Q CA -0.886 54.798 55.803 -0.199 0.000 0.828 193 Q CB 1.845 30.464 28.738 -0.198 0.000 1.443 193 Q HN 0.516 nan 8.270 nan 0.000 0.390 194 F N -1.405 118.525 119.950 -0.034 0.000 2.643 194 F HA 0.613 5.140 4.527 0.000 0.000 0.314 194 F C -0.820 174.974 175.800 -0.009 0.000 1.096 194 F CA -1.241 56.745 58.000 -0.022 0.000 0.953 194 F CB 1.410 40.444 39.000 0.057 0.000 1.345 194 F HN 0.438 nan 8.300 nan 0.000 0.468 195 D N 2.556 123.050 120.400 0.156 0.000 2.741 195 D HA 0.195 4.836 4.640 0.001 0.000 0.233 195 D C -0.557 175.818 176.300 0.125 0.000 1.160 195 D CA 0.170 54.207 54.000 0.062 0.000 1.003 195 D CB 0.283 41.106 40.800 0.038 0.000 1.064 195 D HN 0.298 nan 8.370 nan 0.000 0.503 196 K N 0.393 120.876 120.400 0.139 0.000 2.501 196 K HA 0.544 4.864 4.320 0.001 0.000 0.252 196 K C 0.158 176.784 176.600 0.043 0.000 0.934 196 K CA -0.721 55.675 56.287 0.181 0.000 0.797 196 K CB 2.980 35.726 32.500 0.410 0.000 1.270 196 K HN 0.226 nan 8.250 nan 0.000 0.431 197 G N 0.619 109.408 108.800 -0.017 0.000 2.938 197 G HA2 0.455 4.415 3.960 0.001 0.000 0.258 197 G HA3 0.455 4.415 3.960 0.001 0.000 0.258 197 G C -0.916 173.988 174.900 0.008 0.000 1.356 197 G CA -0.620 44.391 45.100 -0.148 0.000 1.052 197 G HN 0.454 nan 8.290 nan 0.000 0.550 198 Y N -0.115 120.268 120.300 0.138 0.000 2.650 198 Y HA 0.260 4.810 4.550 0.001 0.000 0.331 198 Y C 1.420 177.446 175.900 0.210 0.000 1.165 198 Y CA -1.278 56.967 58.100 0.242 0.000 1.473 198 Y CB -0.248 38.382 38.460 0.282 0.000 1.224 198 Y HN 0.274 nan 8.280 nan 0.000 0.533 199 I N 1.528 122.383 120.570 0.476 0.000 2.800 199 I HA -0.189 3.981 4.170 0.001 0.000 0.266 199 I C 0.864 177.077 176.117 0.160 0.000 1.249 199 I CA 1.444 62.928 61.300 0.306 0.000 1.458 199 I CB -0.278 37.914 38.000 0.320 0.000 1.093 199 I HN 0.656 nan 8.210 nan 0.000 0.466 200 S N -0.307 115.405 115.700 0.021 0.000 2.592 200 S HA 0.295 4.765 4.470 0.001 0.000 0.275 200 S C -1.954 172.377 174.600 -0.448 0.000 1.169 200 S CA -1.130 56.905 58.200 -0.274 0.000 0.958 200 S CB 1.691 64.583 63.200 -0.512 0.000 1.095 200 S HN -0.185 nan 8.310 nan 0.000 0.471 201 P HA -0.164 nan 4.420 nan 0.000 0.218 201 P C 0.840 177.755 177.300 -0.641 0.000 1.146 201 P CA 1.343 64.076 63.100 -0.612 0.000 0.820 201 P CB -0.195 31.231 31.700 -0.457 0.000 0.778 202 Y N -1.047 118.986 120.300 -0.444 0.000 2.333 202 Y HA -0.068 4.482 4.550 0.001 0.000 0.290 202 Y C 2.336 178.125 175.900 -0.184 0.000 1.144 202 Y CA 0.711 58.625 58.100 -0.309 0.000 1.228 202 Y CB -1.301 36.984 38.460 -0.291 0.000 0.985 202 Y HN -0.106 nan 8.280 nan 0.000 0.542 203 F N -0.747 119.159 119.950 -0.074 0.000 2.722 203 F HA -0.051 4.476 4.527 0.000 0.000 0.298 203 F C 0.818 176.529 175.800 -0.149 0.000 1.175 203 F CA -0.563 57.391 58.000 -0.078 0.000 1.462 203 F CB -0.287 38.694 39.000 -0.031 0.000 1.111 203 F HN -0.257 nan 8.300 nan 0.000 0.592 204 V N 0.973 120.809 119.914 -0.129 0.000 2.617 204 V HA -0.136 3.984 4.120 0.001 0.000 0.304 204 V C 1.065 177.158 176.094 -0.002 0.000 1.040 204 V CA 0.905 63.128 62.300 -0.129 0.000 1.149 204 V CB 1.053 32.754 31.823 -0.203 0.000 0.914 204 V HN 0.238 nan 8.190 nan 0.000 0.487 205 T N 2.879 117.449 114.554 0.027 0.000 3.021 205 T HA 0.041 4.392 4.350 0.001 0.000 0.245 205 T C 0.864 175.581 174.700 0.027 0.000 1.028 205 T CA 0.371 62.493 62.100 0.037 0.000 1.139 205 T CB -0.021 68.875 68.868 0.047 0.000 0.884 205 T HN 0.587 nan 8.240 nan 0.000 0.457 206 N N 1.734 120.452 118.700 0.029 0.000 2.417 206 N HA 0.234 4.975 4.740 0.001 0.000 0.274 206 N C -2.182 173.339 175.510 0.017 0.000 0.987 206 N CA -2.083 50.982 53.050 0.024 0.000 0.912 206 N CB 2.451 40.956 38.487 0.031 0.000 1.177 206 N HN 0.011 nan 8.380 nan 0.000 0.490 207 P HA 0.047 nan 4.420 nan 0.000 0.231 207 P C 0.279 177.584 177.300 0.008 0.000 1.168 207 P CA 0.894 63.995 63.100 0.002 0.000 0.779 207 P CB 0.750 32.450 31.700 -0.000 0.000 0.844 208 E N -0.316 119.892 120.200 0.013 0.000 2.276 208 E HA -0.010 4.340 4.350 0.001 0.000 0.193 208 E C 1.449 178.060 176.600 0.018 0.000 0.983 208 E CA 1.331 57.739 56.400 0.013 0.000 0.861 208 E CB 0.040 29.746 29.700 0.011 0.000 0.817 208 E HN 0.316 nan 8.360 nan 0.000 0.485 209 T N -2.323 112.247 114.554 0.027 0.000 3.040 209 T HA 0.128 4.478 4.350 0.001 0.000 0.266 209 T C 0.863 175.599 174.700 0.059 0.000 1.005 209 T CA -0.367 61.754 62.100 0.035 0.000 0.906 209 T CB 0.356 69.244 68.868 0.033 0.000 1.082 209 T HN -0.106 nan 8.240 nan 0.000 0.531 210 M N 1.111 120.750 119.600 0.065 0.000 2.612 210 M HA -0.153 4.328 4.480 0.001 0.000 0.194 210 M C -0.275 176.157 176.300 0.220 0.000 0.530 210 M CA 0.755 56.124 55.300 0.116 0.000 0.548 210 M CB -2.545 30.131 32.600 0.128 0.000 2.013 210 M HN 0.615 nan 8.290 nan 0.000 0.711 211 E N -0.525 119.768 120.200 0.155 0.000 2.254 211 E HA 0.763 5.113 4.350 0.001 0.000 0.258 211 E C 0.126 176.830 176.600 0.172 0.000 1.033 211 E CA -0.337 56.175 56.400 0.187 0.000 0.893 211 E CB 1.395 31.154 29.700 0.099 0.000 1.204 211 E HN 0.348 nan 8.360 nan 0.000 0.425 212 A N 1.316 124.249 122.820 0.188 0.000 2.545 212 A HA 0.403 4.723 4.320 0.001 0.000 0.300 212 A C -1.018 176.625 177.584 0.098 0.000 1.252 212 A CA -0.552 51.574 52.037 0.148 0.000 0.753 212 A CB 0.410 19.547 19.000 0.228 0.000 1.144 212 A HN 0.247 nan 8.150 nan 0.000 0.457 213 V N 3.913 123.867 119.914 0.066 0.000 2.364 213 V HA 0.366 4.487 4.120 0.001 0.000 0.272 213 V C -0.196 175.920 176.094 0.036 0.000 1.036 213 V CA -0.134 62.193 62.300 0.045 0.000 0.880 213 V CB 0.945 32.788 31.823 0.034 0.000 0.991 213 V HN 0.710 nan 8.190 nan 0.000 0.460 214 L N 4.901 126.142 121.223 0.030 0.000 2.294 214 L HA 0.534 4.874 4.340 0.001 0.000 0.283 214 L C 0.105 176.984 176.870 0.015 0.000 1.015 214 L CA -0.542 54.313 54.840 0.025 0.000 0.831 214 L CB 1.433 43.506 42.059 0.024 0.000 1.217 214 L HN 0.522 nan 8.230 nan 0.000 0.420 215 E N 2.529 122.737 120.200 0.014 0.000 2.289 215 E HA 0.031 4.382 4.350 0.001 0.000 0.278 215 E C -0.327 176.269 176.600 -0.006 0.000 1.032 215 E CA -0.265 56.137 56.400 0.004 0.000 0.854 215 E CB 1.074 30.777 29.700 0.006 0.000 1.046 215 E HN 0.506 nan 8.360 nan 0.000 0.409 216 D N 1.733 122.116 120.400 -0.028 0.000 3.359 216 D HA -0.210 4.430 4.640 0.001 0.000 0.212 216 D C -1.461 174.794 176.300 -0.074 0.000 1.160 216 D CA 0.987 54.948 54.000 -0.064 0.000 1.008 216 D CB -0.414 40.352 40.800 -0.056 0.000 0.809 216 D HN 0.527 nan 8.370 nan 0.000 0.387 217 A N 2.256 125.018 122.820 -0.097 0.000 2.437 217 A HA 0.808 5.128 4.320 0.001 0.000 0.292 217 A C -0.726 176.754 177.584 -0.174 0.000 1.173 217 A CA -0.798 51.210 52.037 -0.048 0.000 0.785 217 A CB 0.911 19.933 19.000 0.035 0.000 1.351 217 A HN 0.210 nan 8.150 nan 0.000 0.431 218 F N -0.425 119.519 119.950 -0.011 0.000 2.425 218 F HA 0.624 5.152 4.527 0.000 0.000 0.331 218 F C -0.123 175.668 175.800 -0.015 0.000 1.085 218 F CA -0.281 57.712 58.000 -0.013 0.000 1.028 218 F CB 1.627 40.619 39.000 -0.014 0.000 1.177 218 F HN 0.179 nan 8.300 nan 0.000 0.487 219 I N 3.653 124.309 120.570 0.143 0.000 2.382 219 I HA 0.250 4.420 4.170 0.001 0.000 0.286 219 I C -0.960 175.196 176.117 0.066 0.000 1.002 219 I CA -0.417 60.929 61.300 0.076 0.000 1.135 219 I CB 1.457 39.473 38.000 0.026 0.000 1.288 219 I HN 0.311 nan 8.210 nan 0.000 0.448 220 L N 8.618 129.869 121.223 0.047 0.000 2.270 220 L HA 0.518 4.858 4.340 0.001 0.000 0.286 220 L C -0.494 176.371 176.870 -0.008 0.000 1.059 220 L CA 0.212 55.064 54.840 0.019 0.000 0.839 220 L CB -0.009 42.056 42.059 0.011 0.000 1.221 220 L HN 0.407 nan 8.230 nan 0.000 0.431 221 I N 6.289 126.839 120.570 -0.032 0.000 2.281 221 I HA 0.250 4.421 4.170 0.001 0.000 0.293 221 I C -0.571 175.501 176.117 -0.076 0.000 1.085 221 I CA -0.448 60.813 61.300 -0.064 0.000 1.257 221 I CB 0.772 38.717 38.000 -0.092 0.000 1.430 221 I HN 0.251 nan 8.210 nan 0.000 0.489 222 V N 6.379 126.256 119.914 -0.062 0.000 2.417 222 V HA 0.154 4.274 4.120 0.001 0.000 0.291 222 V C 1.007 177.060 176.094 -0.068 0.000 1.024 222 V CA -0.442 61.823 62.300 -0.058 0.000 0.861 222 V CB 1.780 33.585 31.823 -0.031 0.000 0.985 222 V HN 0.780 nan 8.190 nan 0.000 0.436 223 E N 4.664 124.818 120.200 -0.076 0.000 2.016 223 E HA -0.105 4.245 4.350 0.001 0.000 0.190 223 E C 1.032 177.593 176.600 -0.065 0.000 0.985 223 E CA 0.847 57.200 56.400 -0.078 0.000 0.802 223 E CB 0.184 29.837 29.700 -0.078 0.000 0.762 223 E HN 0.781 nan 8.360 nan 0.000 0.448 224 K N 0.910 121.282 120.400 -0.046 0.000 2.143 224 K HA 0.123 4.443 4.320 0.001 0.000 0.239 224 K C 0.260 176.842 176.600 -0.031 0.000 1.048 224 K CA -0.419 55.846 56.287 -0.037 0.000 0.867 224 K CB 0.459 32.947 32.500 -0.020 0.000 1.088 224 K HN -0.161 nan 8.250 nan 0.000 0.510 225 K N -0.374 120.012 120.400 -0.024 0.000 2.233 225 K HA 0.246 4.566 4.320 0.001 0.000 0.239 225 K C -0.692 175.907 176.600 -0.001 0.000 1.064 225 K CA -0.576 55.704 56.287 -0.013 0.000 0.884 225 K CB 0.697 33.191 32.500 -0.009 0.000 1.166 225 K HN 0.290 nan 8.250 nan 0.000 0.512 226 V N 1.690 121.610 119.914 0.010 0.000 2.637 226 V HA 0.028 4.148 4.120 0.001 0.000 0.274 226 V C -0.023 176.086 176.094 0.025 0.000 1.004 226 V CA -0.372 61.938 62.300 0.017 0.000 0.894 226 V CB 1.159 32.994 31.823 0.021 0.000 1.046 226 V HN 0.961 nan 8.190 nan 0.000 0.467 227 S N 2.172 117.884 115.700 0.020 0.000 2.631 227 S HA 0.161 4.631 4.470 0.001 0.000 0.246 227 S C 0.531 175.142 174.600 0.018 0.000 1.068 227 S CA -0.017 58.197 58.200 0.022 0.000 0.995 227 S CB 0.142 63.353 63.200 0.019 0.000 0.944 227 S HN 0.632 nan 8.310 nan 0.000 0.529 228 N N 1.720 120.428 118.700 0.014 0.000 2.422 228 N HA 0.332 5.072 4.740 0.001 0.000 0.264 228 N C 0.951 176.468 175.510 0.011 0.000 1.063 228 N CA -0.186 52.870 53.050 0.011 0.000 0.959 228 N CB 1.336 39.827 38.487 0.008 0.000 1.087 228 N HN -0.025 nan 8.380 nan 0.000 0.483 229 V N 4.507 124.426 119.914 0.009 0.000 2.407 229 V HA -0.246 3.874 4.120 0.001 0.000 0.248 229 V C 2.317 178.413 176.094 0.004 0.000 1.055 229 V CA 1.632 63.937 62.300 0.008 0.000 1.049 229 V CB -0.649 31.178 31.823 0.006 0.000 0.662 229 V HN 0.681 nan 8.190 nan 0.000 0.455 230 R N 0.305 120.806 120.500 0.002 0.000 2.148 230 R HA -0.249 4.092 4.340 0.001 0.000 0.230 230 R C 2.308 178.608 176.300 0.000 0.000 1.120 230 R CA 2.226 58.326 56.100 0.000 0.000 0.902 230 R CB -0.683 29.617 30.300 0.000 0.000 0.839 230 R HN 0.588 nan 8.270 nan 0.000 0.431 231 E N 0.600 120.801 120.200 0.003 0.000 2.197 231 E HA -0.263 4.088 4.350 0.001 0.000 0.205 231 E C 2.115 178.716 176.600 0.002 0.000 1.029 231 E CA 1.471 57.873 56.400 0.004 0.000 0.828 231 E CB -0.259 29.445 29.700 0.008 0.000 0.737 231 E HN 0.355 nan 8.360 nan 0.000 0.464 232 L N 0.202 121.426 121.223 0.001 0.000 2.007 232 L HA -0.174 4.166 4.340 0.001 0.000 0.205 232 L C 2.506 179.370 176.870 -0.011 0.000 1.073 232 L CA 0.672 55.510 54.840 -0.003 0.000 0.744 232 L CB -0.527 41.533 42.059 0.001 0.000 0.898 232 L HN 0.155 nan 8.230 nan 0.000 0.435 233 L N -0.169 121.048 121.223 -0.010 0.000 2.064 233 L HA -0.306 4.034 4.340 0.001 0.000 0.234 233 L C -0.267 176.590 176.870 -0.021 0.000 1.103 233 L CA 2.142 56.973 54.840 -0.014 0.000 0.824 233 L CB -2.488 39.565 42.059 -0.011 0.000 0.919 233 L HN 0.246 nan 8.230 nan 0.000 0.447 234 P HA -0.280 nan 4.420 nan 0.000 0.216 234 P C 1.832 179.111 177.300 -0.035 0.000 1.167 234 P CA 2.085 65.171 63.100 -0.023 0.000 0.914 234 P CB -0.116 31.574 31.700 -0.015 0.000 0.793 235 I N -1.471 119.078 120.570 -0.035 0.000 2.439 235 I HA -0.154 4.016 4.170 0.001 0.000 0.251 235 I C 2.417 178.489 176.117 -0.074 0.000 1.139 235 I CA 0.874 62.142 61.300 -0.054 0.000 1.438 235 I CB -0.264 37.713 38.000 -0.039 0.000 1.085 235 I HN -0.167 nan 8.210 nan 0.000 0.427 236 L N 0.526 121.716 121.223 -0.054 0.000 2.083 236 L HA -0.230 4.111 4.340 0.001 0.000 0.209 236 L C 2.430 179.261 176.870 -0.064 0.000 1.083 236 L CA 1.491 56.297 54.840 -0.056 0.000 0.752 236 L CB -0.497 41.541 42.059 -0.035 0.000 0.899 236 L HN 0.285 nan 8.230 nan 0.000 0.433 237 E N -0.438 119.730 120.200 -0.055 0.000 2.028 237 E HA -0.231 4.120 4.350 0.001 0.000 0.190 237 E C 2.153 178.709 176.600 -0.074 0.000 0.984 237 E CA 0.981 57.349 56.400 -0.053 0.000 0.800 237 E CB -0.162 29.515 29.700 -0.039 0.000 0.758 237 E HN 0.544 nan 8.360 nan 0.000 0.448 238 Q N 0.647 120.396 119.800 -0.085 0.000 2.062 238 Q HA -0.208 4.132 4.340 0.001 0.000 0.209 238 Q C 2.454 178.352 176.000 -0.170 0.000 0.996 238 Q CA 1.984 57.719 55.803 -0.112 0.000 0.859 238 Q CB -0.383 28.284 28.738 -0.118 0.000 0.920 238 Q HN 0.156 nan 8.270 nan 0.000 0.415 239 V N 1.014 120.800 119.914 -0.214 0.000 2.295 239 V HA -0.273 3.848 4.120 0.001 0.000 0.246 239 V C 2.350 178.341 176.094 -0.172 0.000 1.049 239 V CA 1.737 63.858 62.300 -0.298 0.000 1.024 239 V CB -1.173 30.483 31.823 -0.279 0.000 0.648 239 V HN 0.441 nan 8.190 nan 0.000 0.447 240 A N -0.695 122.062 122.820 -0.105 0.000 1.948 240 A HA -0.321 3.999 4.320 0.001 0.000 0.220 240 A C 2.154 179.708 177.584 -0.050 0.000 1.177 240 A CA 2.091 54.092 52.037 -0.060 0.000 0.636 240 A CB -0.537 18.437 19.000 -0.043 0.000 0.815 240 A HN 0.656 nan 8.150 nan 0.000 0.449 241 Q N -1.072 118.691 119.800 -0.063 0.000 2.436 241 Q HA -0.064 4.277 4.340 0.001 0.000 0.209 241 Q C 1.626 177.602 176.000 -0.039 0.000 0.965 241 Q CA 1.407 57.183 55.803 -0.045 0.000 0.910 241 Q CB -0.121 28.589 28.738 -0.047 0.000 0.980 241 Q HN 0.726 nan 8.270 nan 0.000 0.491 242 T N -1.235 113.281 114.554 -0.063 0.000 3.043 242 T HA 0.059 4.409 4.350 0.001 0.000 0.263 242 T C 1.334 176.054 174.700 0.032 0.000 1.094 242 T CA 0.804 62.891 62.100 -0.022 0.000 1.127 242 T CB 0.145 68.967 68.868 -0.076 0.000 0.905 242 T HN 0.536 nan 8.240 nan 0.000 0.490 243 G N 1.651 110.462 108.800 0.017 0.000 2.162 243 G HA2 -0.226 3.735 3.960 0.001 0.000 0.260 243 G HA3 -0.226 3.735 3.960 0.001 0.000 0.260 243 G C 0.021 174.962 174.900 0.068 0.000 0.976 243 G CA -0.050 45.071 45.100 0.035 0.000 0.655 243 G HN 0.368 nan 8.290 nan 0.000 0.533 244 K N 0.541 121.011 120.400 0.116 0.000 2.123 244 K HA 0.570 4.891 4.320 0.001 0.000 0.259 244 K C -2.262 174.439 176.600 0.167 0.000 0.960 244 K CA -2.233 54.169 56.287 0.193 0.000 0.872 244 K CB 1.355 34.122 32.500 0.446 0.000 1.079 244 K HN 0.029 nan 8.250 nan 0.000 0.440 245 P HA 0.179 nan 4.420 nan 0.000 0.271 245 P C -0.879 176.502 177.300 0.135 0.000 1.244 245 P CA -0.475 62.680 63.100 0.092 0.000 0.793 245 P CB 0.466 32.202 31.700 0.059 0.000 0.984 246 L N 1.283 122.545 121.223 0.066 0.000 2.464 246 L HA 0.591 4.932 4.340 0.001 0.000 0.266 246 L C -1.858 175.015 176.870 0.005 0.000 0.965 246 L CA -0.791 54.092 54.840 0.072 0.000 0.833 246 L CB 1.838 43.917 42.059 0.032 0.000 1.296 246 L HN 0.105 nan 8.230 nan 0.000 0.405 247 L N 6.014 127.255 121.223 0.030 0.000 2.305 247 L HA 0.650 4.990 4.340 0.001 0.000 0.284 247 L C -1.159 175.717 176.870 0.010 0.000 1.013 247 L CA -0.008 54.834 54.840 0.003 0.000 0.819 247 L CB 1.165 43.247 42.059 0.038 0.000 1.227 247 L HN 0.580 nan 8.230 nan 0.000 0.417 248 I N 6.430 126.988 120.570 -0.021 0.000 2.336 248 I HA 0.381 4.552 4.170 0.001 0.000 0.292 248 I C -0.495 175.637 176.117 0.025 0.000 0.991 248 I CA -0.322 60.975 61.300 -0.005 0.000 1.227 248 I CB 1.321 39.306 38.000 -0.025 0.000 1.366 248 I HN 0.517 nan 8.210 nan 0.000 0.466 249 I N 6.307 126.888 120.570 0.019 0.000 2.411 249 I HA 0.648 4.818 4.170 0.001 0.000 0.284 249 I C -0.164 175.941 176.117 -0.020 0.000 1.012 249 I CA -0.226 61.083 61.300 0.015 0.000 1.119 249 I CB 1.564 39.561 38.000 -0.006 0.000 1.261 249 I HN 0.637 nan 8.210 nan 0.000 0.448 250 A N 4.348 127.162 122.820 -0.010 0.000 2.556 250 A HA 0.403 4.723 4.320 0.001 0.000 0.294 250 A C 0.732 178.299 177.584 -0.029 0.000 1.091 250 A CA -0.564 51.458 52.037 -0.025 0.000 0.704 250 A CB 1.584 20.581 19.000 -0.006 0.000 1.300 250 A HN 0.796 nan 8.150 nan 0.000 0.406 251 E N -0.239 119.930 120.200 -0.052 0.000 2.169 251 E HA -0.235 4.115 4.350 0.001 0.000 0.202 251 E C 0.022 176.604 176.600 -0.031 0.000 1.016 251 E CA 2.187 58.545 56.400 -0.070 0.000 0.817 251 E CB 0.089 29.737 29.700 -0.087 0.000 0.736 251 E HN 0.645 nan 8.360 nan 0.000 0.462 252 D N -2.630 117.769 120.400 -0.002 0.000 2.742 252 D HA 0.190 4.831 4.640 0.001 0.000 0.262 252 D C -2.005 174.321 176.300 0.045 0.000 1.240 252 D CA -0.501 53.518 54.000 0.032 0.000 0.752 252 D CB 1.847 42.662 40.800 0.026 0.000 1.290 252 D HN -0.130 nan 8.370 nan 0.000 0.420 253 V N 2.623 122.582 119.914 0.074 0.000 2.445 253 V HA 0.432 4.552 4.120 0.001 0.000 0.283 253 V C -0.010 176.138 176.094 0.091 0.000 1.014 253 V CA -0.539 61.812 62.300 0.085 0.000 0.852 253 V CB 1.198 33.093 31.823 0.120 0.000 1.021 253 V HN 0.555 nan 8.190 nan 0.000 0.435 254 E N 3.240 123.479 120.200 0.065 0.000 2.476 254 E HA 0.843 5.194 4.350 0.001 0.000 0.246 254 E C 0.687 177.316 176.600 0.047 0.000 0.872 254 E CA -0.333 56.101 56.400 0.058 0.000 0.867 254 E CB 1.481 31.208 29.700 0.044 0.000 1.533 254 E HN 0.823 nan 8.360 nan 0.000 0.399 255 G N 1.257 110.080 108.800 0.037 0.000 2.594 255 G HA2 -0.460 3.500 3.960 0.001 0.000 0.297 255 G HA3 -0.460 3.500 3.960 0.001 0.000 0.297 255 G C 0.793 175.709 174.900 0.027 0.000 1.273 255 G CA 1.067 46.184 45.100 0.028 0.000 0.974 255 G HN 0.862 nan 8.290 nan 0.000 0.552 256 E N 0.330 120.542 120.200 0.021 0.000 2.204 256 E HA 0.206 4.556 4.350 0.001 0.000 0.194 256 E C 2.711 179.326 176.600 0.025 0.000 0.989 256 E CA 1.655 58.066 56.400 0.017 0.000 0.824 256 E CB -0.328 29.378 29.700 0.011 0.000 0.756 256 E HN 1.008 nan 8.360 nan 0.000 0.477 257 A N 1.730 124.569 122.820 0.031 0.000 1.902 257 A HA -0.141 4.179 4.320 0.001 0.000 0.217 257 A C 2.226 179.848 177.584 0.063 0.000 1.181 257 A CA 1.399 53.459 52.037 0.038 0.000 0.623 257 A CB -0.595 18.426 19.000 0.036 0.000 0.818 257 A HN 0.314 nan 8.150 nan 0.000 0.443 258 L N -0.288 120.982 121.223 0.078 0.000 2.005 258 L HA 0.027 4.367 4.340 0.001 0.000 0.207 258 L C 2.685 179.619 176.870 0.107 0.000 1.072 258 L CA 2.209 57.126 54.840 0.129 0.000 0.744 258 L CB -0.954 41.179 42.059 0.122 0.000 0.895 258 L HN 0.336 nan 8.230 nan 0.000 0.433 259 A N -1.239 121.611 122.820 0.050 0.000 1.958 259 A HA -0.294 4.026 4.320 0.001 0.000 0.221 259 A C 2.259 179.853 177.584 0.016 0.000 1.178 259 A CA 2.647 54.691 52.037 0.011 0.000 0.642 259 A CB -1.416 17.581 19.000 -0.004 0.000 0.816 259 A HN 0.573 nan 8.150 nan 0.000 0.453 260 T N 0.396 114.970 114.554 0.033 0.000 2.622 260 T HA -0.138 4.212 4.350 0.001 0.000 0.266 260 T C 1.830 176.560 174.700 0.051 0.000 1.047 260 T CA 1.628 63.745 62.100 0.028 0.000 1.159 260 T CB -0.492 68.390 68.868 0.024 0.000 0.863 260 T HN 0.390 nan 8.240 nan 0.000 0.422 261 L N 0.791 122.069 121.223 0.091 0.000 2.043 261 L HA -0.143 4.197 4.340 0.001 0.000 0.212 261 L C 2.673 179.678 176.870 0.225 0.000 1.075 261 L CA 0.993 55.910 54.840 0.128 0.000 0.752 261 L CB -0.865 41.282 42.059 0.146 0.000 0.891 261 L HN 0.146 nan 8.230 nan 0.000 0.432 262 V N -0.807 119.255 119.914 0.246 0.000 2.237 262 V HA -0.266 3.854 4.120 0.001 0.000 0.245 262 V C 2.420 178.525 176.094 0.019 0.000 1.046 262 V CA 1.813 64.202 62.300 0.148 0.000 1.007 262 V CB -0.455 31.307 31.823 -0.103 0.000 0.638 262 V HN 0.200 nan 8.190 nan 0.000 0.445 263 V N 0.810 120.705 119.914 -0.031 0.000 2.252 263 V HA -0.311 3.810 4.120 0.001 0.000 0.249 263 V C 2.291 178.379 176.094 -0.009 0.000 1.056 263 V CA 2.429 64.701 62.300 -0.048 0.000 1.022 263 V CB -1.013 30.784 31.823 -0.043 0.000 0.641 263 V HN 0.589 nan 8.190 nan 0.000 0.445 264 N N 0.319 119.028 118.700 0.014 0.000 2.205 264 N HA -0.209 4.531 4.740 0.001 0.000 0.186 264 N C 1.889 177.417 175.510 0.030 0.000 1.015 264 N CA 1.663 54.722 53.050 0.016 0.000 0.862 264 N CB -0.249 38.246 38.487 0.014 0.000 0.986 264 N HN 0.499 nan 8.380 nan 0.000 0.429 265 K N 1.897 122.334 120.400 0.062 0.000 2.025 265 K HA 0.011 4.332 4.320 0.001 0.000 0.207 265 K C 1.954 178.596 176.600 0.070 0.000 1.049 265 K CA 1.014 57.355 56.287 0.090 0.000 0.933 265 K CB -0.614 32.009 32.500 0.205 0.000 0.714 265 K HN 0.101 nan 8.250 nan 0.000 0.438 266 L N 0.114 121.365 121.223 0.048 0.000 2.275 266 L HA -0.015 4.326 4.340 0.001 0.000 0.215 266 L C 2.525 179.402 176.870 0.011 0.000 1.119 266 L CA 0.753 55.607 54.840 0.023 0.000 0.790 266 L CB -0.224 41.816 42.059 -0.033 0.000 0.919 266 L HN 0.145 nan 8.230 nan 0.000 0.443 267 R N -0.070 120.434 120.500 0.007 0.000 2.062 267 R HA 0.019 4.359 4.340 0.001 0.000 0.226 267 R C 1.472 177.778 176.300 0.009 0.000 1.125 267 R CA 1.433 57.535 56.100 0.003 0.000 0.966 267 R CB -0.103 30.196 30.300 -0.001 0.000 0.861 267 R HN 0.296 nan 8.270 nan 0.000 0.433 268 G N -2.569 106.240 108.800 0.014 0.000 2.260 268 G HA2 -0.206 3.754 3.960 0.001 0.000 0.179 268 G HA3 -0.206 3.754 3.960 0.001 0.000 0.179 268 G C 0.968 175.875 174.900 0.011 0.000 1.002 268 G CA 0.330 45.439 45.100 0.015 0.000 0.677 268 G HN 0.305 nan 8.290 nan 0.000 0.486 269 T N -0.004 114.555 114.554 0.008 0.000 2.580 269 T HA 0.083 4.433 4.350 0.001 0.000 0.265 269 T C 0.681 175.383 174.700 0.003 0.000 1.063 269 T CA 1.833 63.935 62.100 0.003 0.000 1.170 269 T CB -0.002 68.867 68.868 0.001 0.000 0.863 269 T HN 0.633 nan 8.240 nan 0.000 0.418 270 L N 0.704 121.930 121.223 0.006 0.000 2.422 270 L HA 0.497 4.837 4.340 0.001 0.000 0.264 270 L C -0.684 176.192 176.870 0.008 0.000 0.984 270 L CA -0.725 54.116 54.840 0.002 0.000 0.819 270 L CB 2.131 44.184 42.059 -0.010 0.000 1.330 270 L HN 0.138 nan 8.230 nan 0.000 0.410 271 S N 4.390 120.095 115.700 0.009 0.000 2.404 271 S HA 0.756 5.226 4.470 0.001 0.000 0.309 271 S C -0.344 174.244 174.600 -0.020 0.000 1.076 271 S CA -0.156 58.050 58.200 0.011 0.000 1.095 271 S CB 0.262 63.475 63.200 0.023 0.000 0.972 271 S HN 0.871 nan 8.310 nan 0.000 0.484 272 V N -0.499 119.374 119.914 -0.069 0.000 3.156 272 V HA 1.063 5.184 4.120 0.001 0.000 0.310 272 V C -0.382 175.458 176.094 -0.423 0.000 1.234 272 V CA -0.952 61.238 62.300 -0.183 0.000 1.065 272 V CB 1.126 32.835 31.823 -0.191 0.000 1.088 272 V HN 1.407 nan 8.190 nan 0.000 0.451 273 A N 0.242 122.717 122.820 -0.575 0.000 2.512 273 A HA 0.939 5.259 4.320 0.001 0.000 0.294 273 A C -0.508 176.761 177.584 -0.525 0.000 1.054 273 A CA -0.016 51.505 52.037 -0.858 0.000 0.756 273 A CB 1.040 19.900 19.000 -0.232 0.000 1.293 273 A HN 2.396 nan 8.150 nan 0.000 0.395 274 A N 1.316 123.827 122.820 -0.514 0.000 2.312 274 A HA 0.849 5.169 4.320 0.001 0.000 0.326 274 A C -0.546 177.166 177.584 0.214 0.000 1.172 274 A CA -0.512 51.531 52.037 0.010 0.000 0.821 274 A CB 1.032 20.136 19.000 0.173 0.000 1.166 274 A HN 1.649 nan 8.150 nan 0.000 0.493 275 V N 2.501 122.523 119.914 0.180 0.000 2.851 275 V HA 0.279 4.399 4.120 0.001 0.000 0.307 275 V C -0.218 175.983 176.094 0.179 0.000 1.129 275 V CA -1.000 61.436 62.300 0.226 0.000 0.932 275 V CB 2.114 34.108 31.823 0.285 0.000 1.024 275 V HN 1.002 nan 8.190 nan 0.000 0.426 276 K N 2.060 122.562 120.400 0.170 0.000 2.276 276 K HA 0.605 4.925 4.320 0.001 0.000 0.259 276 K C 0.428 177.049 176.600 0.036 0.000 1.001 276 K CA -0.049 56.297 56.287 0.098 0.000 0.927 276 K CB 0.715 33.276 32.500 0.101 0.000 0.969 276 K HN 0.879 nan 8.250 nan 0.000 0.490 277 A N 3.323 126.115 122.820 -0.047 0.000 2.520 277 A HA 0.067 4.387 4.320 0.001 0.000 0.235 277 A C -1.243 176.236 177.584 -0.175 0.000 1.065 277 A CA -0.947 50.996 52.037 -0.157 0.000 0.764 277 A CB -0.331 18.585 19.000 -0.139 0.000 1.002 277 A HN 0.565 nan 8.150 nan 0.000 0.502 278 P HA -0.132 nan 4.420 nan 0.000 0.203 278 P C 1.349 178.654 177.300 0.009 0.000 0.968 278 P CA 1.443 64.388 63.100 -0.259 0.000 0.904 278 P CB -0.444 31.013 31.700 -0.405 0.000 0.646 279 G N -0.801 108.015 108.800 0.027 0.000 2.311 279 G HA2 0.187 4.147 3.960 0.001 0.000 0.274 279 G HA3 0.187 4.147 3.960 0.001 0.000 0.274 279 G C -0.319 174.754 174.900 0.288 0.000 1.511 279 G CA 0.201 45.383 45.100 0.138 0.000 1.041 279 G HN 0.281 nan 8.290 nan 0.000 0.527 280 F N -2.324 117.619 119.950 -0.012 0.000 2.824 280 F HA 0.570 5.098 4.527 0.001 0.000 0.330 280 F C 1.232 177.027 175.800 -0.009 0.000 1.175 280 F CA 0.155 58.152 58.000 -0.006 0.000 0.974 280 F CB 0.956 39.961 39.000 0.009 0.000 1.430 280 F HN 0.990 nan 8.300 nan 0.000 0.507 281 G N 1.408 110.253 108.800 0.076 0.000 2.596 281 G HA2 -0.348 3.612 3.960 0.001 0.000 0.421 281 G HA3 -0.348 3.612 3.960 0.001 0.000 0.421 281 G C 0.681 175.581 174.900 0.001 0.000 1.364 281 G CA 0.970 46.092 45.100 0.038 0.000 0.954 281 G HN 0.646 nan 8.290 nan 0.000 0.524 282 D N 0.773 121.183 120.400 0.016 0.000 2.348 282 D HA -0.043 4.597 4.640 0.001 0.000 0.216 282 D C 2.513 178.812 176.300 -0.002 0.000 0.970 282 D CA 1.106 55.105 54.000 -0.002 0.000 0.889 282 D CB -0.105 40.697 40.800 0.003 0.000 0.912 282 D HN 0.649 nan 8.370 nan 0.000 0.524 283 R N 1.635 122.146 120.500 0.017 0.000 2.093 283 R HA -0.038 4.303 4.340 0.001 0.000 0.224 283 R C 2.144 178.444 176.300 0.000 0.000 1.101 283 R CA 0.666 56.773 56.100 0.012 0.000 0.979 283 R CB -0.335 29.979 30.300 0.023 0.000 0.877 283 R HN 0.106 nan 8.270 nan 0.000 0.441 284 R N 1.060 121.558 120.500 -0.003 0.000 2.189 284 R HA 0.019 4.360 4.340 0.001 0.000 0.218 284 R C 1.473 177.731 176.300 -0.071 0.000 1.074 284 R CA 1.039 57.114 56.100 -0.042 0.000 0.991 284 R CB -0.134 30.129 30.300 -0.062 0.000 0.883 284 R HN 0.203 nan 8.270 nan 0.000 0.457 285 K N 0.765 121.129 120.400 -0.061 0.000 2.001 285 K HA -0.070 4.250 4.320 0.001 0.000 0.208 285 K C 2.009 178.571 176.600 -0.062 0.000 1.048 285 K CA 1.366 57.612 56.287 -0.068 0.000 0.932 285 K CB -0.020 32.447 32.500 -0.055 0.000 0.715 285 K HN 0.154 nan 8.250 nan 0.000 0.437 286 E N 0.584 120.759 120.200 -0.042 0.000 2.204 286 E HA -0.151 4.200 4.350 0.001 0.000 0.195 286 E C 1.899 178.478 176.600 -0.034 0.000 0.990 286 E CA 1.158 57.538 56.400 -0.034 0.000 0.821 286 E CB -0.023 29.666 29.700 -0.019 0.000 0.750 286 E HN 0.387 nan 8.360 nan 0.000 0.477 287 M N -0.230 119.351 119.600 -0.033 0.000 2.236 287 M HA -0.044 4.436 4.480 0.001 0.000 0.266 287 M C 2.326 178.570 176.300 -0.093 0.000 1.070 287 M CA 0.687 55.977 55.300 -0.018 0.000 1.137 287 M CB -0.128 32.475 32.600 0.005 0.000 1.378 287 M HN 0.059 nan 8.290 nan 0.000 0.426 288 L N 0.248 121.396 121.223 -0.123 0.000 2.012 288 L HA -0.263 4.078 4.340 0.001 0.000 0.210 288 L C 2.514 179.289 176.870 -0.159 0.000 1.073 288 L CA 1.445 56.189 54.840 -0.161 0.000 0.748 288 L CB -0.671 41.302 42.059 -0.142 0.000 0.891 288 L HN 0.271 nan 8.230 nan 0.000 0.431 289 K N -0.088 120.237 120.400 -0.124 0.000 2.063 289 K HA -0.219 4.101 4.320 0.001 0.000 0.208 289 K C 1.676 178.203 176.600 -0.123 0.000 1.048 289 K CA 1.930 58.149 56.287 -0.113 0.000 0.928 289 K CB -0.336 32.116 32.500 -0.081 0.000 0.713 289 K HN 0.309 nan 8.250 nan 0.000 0.442 290 D N 0.899 121.227 120.400 -0.119 0.000 2.087 290 D HA -0.136 4.505 4.640 0.001 0.000 0.192 290 D C 1.890 178.004 176.300 -0.310 0.000 0.993 290 D CA 1.126 55.047 54.000 -0.131 0.000 0.828 290 D CB -0.233 40.554 40.800 -0.021 0.000 0.968 290 D HN 0.118 nan 8.370 nan 0.000 0.448 291 I N 0.899 121.187 120.570 -0.471 0.000 2.151 291 I HA -0.332 3.838 4.170 0.001 0.000 0.243 291 I C 2.407 178.342 176.117 -0.303 0.000 1.080 291 I CA 1.133 62.085 61.300 -0.580 0.000 1.339 291 I CB -0.439 37.301 38.000 -0.432 0.000 1.039 291 I HN -0.018 nan 8.210 nan 0.000 0.409 292 A N 1.191 123.883 122.820 -0.212 0.000 1.852 292 A HA -0.297 4.023 4.320 0.001 0.000 0.217 292 A C 2.591 180.102 177.584 -0.122 0.000 1.215 292 A CA 2.570 54.520 52.037 -0.144 0.000 0.641 292 A CB -1.306 17.616 19.000 -0.130 0.000 0.838 292 A HN 0.450 nan 8.150 nan 0.000 0.450 293 A N -1.123 121.630 122.820 -0.111 0.000 1.997 293 A HA -0.075 4.245 4.320 0.001 0.000 0.221 293 A C 2.189 179.728 177.584 -0.074 0.000 1.172 293 A CA 2.221 54.211 52.037 -0.077 0.000 0.645 293 A CB -0.948 18.016 19.000 -0.060 0.000 0.813 293 A HN 0.548 nan 8.150 nan 0.000 0.454 294 V N -0.163 119.683 119.914 -0.114 0.000 2.407 294 V HA -0.153 3.967 4.120 0.001 0.000 0.245 294 V C 2.770 178.822 176.094 -0.070 0.000 1.041 294 V CA 2.208 64.456 62.300 -0.087 0.000 1.040 294 V CB -1.111 30.627 31.823 -0.142 0.000 0.671 294 V HN 0.802 nan 8.190 nan 0.000 0.455 295 T N -2.882 111.617 114.554 -0.092 0.000 3.054 295 T HA 0.315 4.666 4.350 0.001 0.000 0.259 295 T C 1.680 176.344 174.700 -0.060 0.000 1.092 295 T CA 1.115 63.173 62.100 -0.070 0.000 1.121 295 T CB 0.624 69.450 68.868 -0.071 0.000 0.912 295 T HN 0.847 nan 8.240 nan 0.000 0.489 296 G N 0.886 109.652 108.800 -0.058 0.000 2.254 296 G HA2 -0.103 3.857 3.960 0.001 0.000 0.225 296 G HA3 -0.103 3.857 3.960 0.001 0.000 0.225 296 G C 0.676 175.557 174.900 -0.032 0.000 1.003 296 G CA 0.014 45.089 45.100 -0.041 0.000 0.622 296 G HN 0.948 nan 8.290 nan 0.000 0.507 297 G N -0.463 108.317 108.800 -0.033 0.000 2.527 297 G HA2 0.474 4.434 3.960 0.001 0.000 0.279 297 G HA3 0.474 4.434 3.960 0.001 0.000 0.279 297 G C -0.020 174.853 174.900 -0.045 0.000 1.374 297 G CA 1.117 46.206 45.100 -0.018 0.000 1.053 297 G HN 0.853 nan 8.290 nan 0.000 0.539 298 T N -0.687 113.832 114.554 -0.058 0.000 2.876 298 T HA 0.415 4.765 4.350 0.001 0.000 0.289 298 T C -0.247 174.339 174.700 -0.190 0.000 1.014 298 T CA -0.367 61.659 62.100 -0.122 0.000 0.986 298 T CB 1.893 70.697 68.868 -0.106 0.000 1.021 298 T HN 0.334 nan 8.240 nan 0.000 0.458 299 V N 4.136 123.898 119.914 -0.254 0.000 2.427 299 V HA 0.235 4.355 4.120 0.001 0.000 0.268 299 V C 0.771 176.614 176.094 -0.418 0.000 1.046 299 V CA -0.323 61.818 62.300 -0.265 0.000 0.970 299 V CB 0.199 31.889 31.823 -0.220 0.000 1.001 299 V HN 0.820 nan 8.190 nan 0.000 0.476 300 I N 4.475 124.867 120.570 -0.296 0.000 2.397 300 I HA 0.013 4.183 4.170 0.001 0.000 0.291 300 I C 0.759 176.764 176.117 -0.187 0.000 1.125 300 I CA 0.346 61.484 61.300 -0.269 0.000 1.961 300 I CB -0.368 37.586 38.000 -0.077 0.000 1.508 300 I HN 0.599 nan 8.210 nan 0.000 0.886 301 S N 3.577 119.104 115.700 -0.288 0.000 2.466 301 S HA -0.013 4.458 4.470 0.001 0.000 0.286 301 S C 1.488 176.089 174.600 0.003 0.000 1.221 301 S CA -0.452 57.669 58.200 -0.131 0.000 1.091 301 S CB 0.356 63.470 63.200 -0.143 0.000 0.956 301 S HN 0.662 nan 8.310 nan 0.000 0.501 302 E N 2.613 122.817 120.200 0.006 0.000 2.204 302 E HA -0.246 4.104 4.350 0.001 0.000 0.195 302 E C 0.768 177.397 176.600 0.048 0.000 0.990 302 E CA 1.428 57.851 56.400 0.038 0.000 0.821 302 E CB -0.207 29.499 29.700 0.011 0.000 0.750 302 E HN 0.770 nan 8.360 nan 0.000 0.477 303 E N 0.426 120.644 120.200 0.030 0.000 2.419 303 E HA 0.124 4.474 4.350 0.001 0.000 0.190 303 E C 1.101 177.734 176.600 0.056 0.000 1.040 303 E CA -0.029 56.391 56.400 0.033 0.000 0.900 303 E CB 0.584 30.290 29.700 0.010 0.000 1.054 303 E HN 0.281 nan 8.360 nan 0.000 0.462 304 L N 0.045 121.333 121.223 0.108 0.000 2.858 304 L HA 0.482 4.822 4.340 0.001 0.000 0.251 304 L C 0.783 177.824 176.870 0.286 0.000 1.149 304 L CA 0.916 55.859 54.840 0.171 0.000 0.955 304 L CB 0.673 42.818 42.059 0.143 0.000 1.289 304 L HN 0.252 nan 8.230 nan 0.000 0.542 305 G N 0.280 109.229 108.800 0.248 0.000 2.638 305 G HA2 -0.217 3.743 3.960 0.001 0.000 0.269 305 G HA3 -0.217 3.743 3.960 0.001 0.000 0.269 305 G C -0.574 174.392 174.900 0.111 0.000 1.141 305 G CA 0.008 45.193 45.100 0.141 0.000 1.081 305 G HN 0.105 nan 8.290 nan 0.000 0.527 306 F N -0.345 119.597 119.950 -0.013 0.000 2.591 306 F HA 0.636 5.164 4.527 0.001 0.000 0.309 306 F C 0.305 176.097 175.800 -0.013 0.000 1.098 306 F CA -0.975 57.017 58.000 -0.013 0.000 0.937 306 F CB 2.219 41.210 39.000 -0.014 0.000 1.250 306 F HN 0.041 nan 8.300 nan 0.000 0.447 307 K N 2.573 123.056 120.400 0.139 0.000 2.244 307 K HA 0.338 4.658 4.320 0.001 0.000 0.260 307 K C 0.478 177.129 176.600 0.084 0.000 0.951 307 K CA -0.791 55.544 56.287 0.080 0.000 0.826 307 K CB 2.309 34.825 32.500 0.028 0.000 1.108 307 K HN 0.537 nan 8.250 nan 0.000 0.433 308 L N 4.495 125.755 121.223 0.061 0.000 2.013 308 L HA -0.242 4.098 4.340 0.001 0.000 0.212 308 L C 2.034 178.924 176.870 0.033 0.000 1.073 308 L CA 2.070 56.937 54.840 0.045 0.000 0.753 308 L CB -0.521 41.553 42.059 0.025 0.000 0.890 308 L HN 0.809 nan 8.230 nan 0.000 0.432 309 E N -1.312 118.901 120.200 0.022 0.000 2.130 309 E HA -0.258 4.092 4.350 0.001 0.000 0.196 309 E C 0.947 177.552 176.600 0.009 0.000 0.998 309 E CA 1.566 57.972 56.400 0.010 0.000 0.806 309 E CB -0.753 28.950 29.700 0.005 0.000 0.738 309 E HN 0.580 nan 8.360 nan 0.000 0.459 310 N N 1.288 119.997 118.700 0.015 0.000 2.362 310 N HA 0.169 4.909 4.740 0.001 0.000 0.211 310 N C -0.158 175.370 175.510 0.029 0.000 1.170 310 N CA 0.529 53.584 53.050 0.008 0.000 0.828 310 N CB 0.453 38.934 38.487 -0.011 0.000 1.034 310 N HN 0.242 nan 8.380 nan 0.000 0.475 311 A N 0.408 123.251 122.820 0.039 0.000 2.406 311 A HA 0.483 4.803 4.320 0.001 0.000 0.243 311 A C 0.483 178.082 177.584 0.025 0.000 1.082 311 A CA 0.293 52.361 52.037 0.052 0.000 0.786 311 A CB 0.378 19.401 19.000 0.038 0.000 1.029 311 A HN 0.161 nan 8.150 nan 0.000 0.495 312 T N 0.835 115.408 114.554 0.032 0.000 2.903 312 T HA 0.412 4.762 4.350 0.001 0.000 0.299 312 T C 1.071 175.773 174.700 0.003 0.000 1.093 312 T CA -0.696 61.411 62.100 0.010 0.000 1.002 312 T CB 1.237 70.120 68.868 0.026 0.000 1.127 312 T HN 0.419 nan 8.240 nan 0.000 0.488 313 L N 1.169 122.373 121.223 -0.031 0.000 2.353 313 L HA -0.108 4.233 4.340 0.001 0.000 0.220 313 L C 2.766 179.684 176.870 0.080 0.000 1.133 313 L CA 1.289 56.107 54.840 -0.038 0.000 0.798 313 L CB -0.692 41.303 42.059 -0.106 0.000 0.922 313 L HN 0.852 nan 8.230 nan 0.000 0.445 314 S N 0.842 116.578 115.700 0.061 0.000 2.383 314 S HA -0.197 4.273 4.470 0.001 0.000 0.227 314 S C 1.646 176.295 174.600 0.082 0.000 1.026 314 S CA 1.047 59.292 58.200 0.074 0.000 0.981 314 S CB -0.370 62.863 63.200 0.055 0.000 0.818 314 S HN 0.621 nan 8.310 nan 0.000 0.472 315 M N 0.605 120.253 119.600 0.080 0.000 2.626 315 M HA 0.493 4.973 4.480 0.001 0.000 0.262 315 M C -0.496 175.841 176.300 0.063 0.000 1.256 315 M CA -0.099 55.244 55.300 0.071 0.000 0.981 315 M CB -0.245 32.412 32.600 0.094 0.000 1.492 315 M HN 0.082 nan 8.290 nan 0.000 0.474 316 L N 1.170 122.460 121.223 0.112 0.000 2.334 316 L HA 0.732 5.072 4.340 0.001 0.000 0.275 316 L C 0.697 177.644 176.870 0.128 0.000 1.036 316 L CA -0.775 54.159 54.840 0.157 0.000 0.807 316 L CB 1.736 43.991 42.059 0.327 0.000 1.231 316 L HN 0.383 nan 8.230 nan 0.000 0.438 317 G N 1.554 110.399 108.800 0.075 0.000 2.539 317 G HA2 0.483 4.443 3.960 0.001 0.000 0.258 317 G HA3 0.483 4.443 3.960 0.001 0.000 0.258 317 G C -0.779 174.093 174.900 -0.046 0.000 1.202 317 G CA -0.338 44.764 45.100 0.003 0.000 0.851 317 G HN 0.625 nan 8.290 nan 0.000 0.556 318 R N -0.186 120.243 120.500 -0.118 0.000 2.604 318 R HA 0.624 4.964 4.340 0.001 0.000 0.281 318 R C -0.961 175.246 176.300 -0.155 0.000 1.020 318 R CA -0.497 55.458 56.100 -0.242 0.000 0.899 318 R CB 1.862 31.959 30.300 -0.339 0.000 1.205 318 R HN 0.824 nan 8.270 nan 0.000 0.450 319 A N 2.062 124.792 122.820 -0.149 0.000 2.539 319 A HA 0.258 4.578 4.320 0.001 0.000 0.296 319 A C 0.175 177.711 177.584 -0.080 0.000 1.073 319 A CA -0.657 51.329 52.037 -0.085 0.000 0.700 319 A CB 1.848 20.823 19.000 -0.041 0.000 1.296 319 A HN 0.976 nan 8.150 nan 0.000 0.405 320 E N 0.270 120.440 120.200 -0.051 0.000 2.150 320 E HA -0.047 4.303 4.350 0.001 0.000 0.193 320 E C 0.690 177.273 176.600 -0.028 0.000 0.985 320 E CA 1.036 57.411 56.400 -0.041 0.000 0.814 320 E CB 0.150 29.834 29.700 -0.027 0.000 0.752 320 E HN 0.513 nan 8.360 nan 0.000 0.466 321 R N -1.346 119.143 120.500 -0.018 0.000 2.712 321 R HA 0.403 4.743 4.340 0.001 0.000 0.272 321 R C -2.165 174.136 176.300 0.002 0.000 1.032 321 R CA -0.640 55.456 56.100 -0.006 0.000 0.874 321 R CB 2.054 32.353 30.300 -0.003 0.000 1.256 321 R HN -0.042 nan 8.270 nan 0.000 0.468 322 V N 2.698 122.617 119.914 0.009 0.000 2.697 322 V HA 0.486 4.607 4.120 0.001 0.000 0.300 322 V C -0.940 175.165 176.094 0.018 0.000 1.115 322 V CA -0.741 61.568 62.300 0.014 0.000 0.912 322 V CB 1.993 33.830 31.823 0.023 0.000 1.024 322 V HN 0.674 nan 8.190 nan 0.000 0.431 323 R N 4.761 125.263 120.500 0.005 0.000 2.445 323 R HA 0.765 5.106 4.340 0.001 0.000 0.308 323 R C -1.174 175.129 176.300 0.004 0.000 0.961 323 R CA -0.571 55.537 56.100 0.012 0.000 0.862 323 R CB 2.183 32.481 30.300 -0.004 0.000 1.144 323 R HN 0.604 nan 8.270 nan 0.000 0.447 324 I N 2.491 123.100 120.570 0.065 0.000 2.439 324 I HA 0.248 4.418 4.170 0.001 0.000 0.283 324 I C -0.111 176.060 176.117 0.091 0.000 1.023 324 I CA -0.481 60.863 61.300 0.074 0.000 1.100 324 I CB 2.153 40.274 38.000 0.202 0.000 1.238 324 I HN 0.533 nan 8.210 nan 0.000 0.445 325 T N 3.666 118.148 114.554 -0.120 0.000 2.884 325 T HA 0.178 4.528 4.350 0.001 0.000 0.277 325 T C 1.188 175.465 174.700 -0.704 0.000 0.976 325 T CA -0.760 61.217 62.100 -0.205 0.000 0.956 325 T CB 1.730 70.519 68.868 -0.132 0.000 1.113 325 T HN 0.567 nan 8.240 nan 0.000 0.554 326 K N 0.778 120.814 120.400 -0.606 0.000 2.218 326 K HA -0.170 4.151 4.320 0.001 0.000 0.205 326 K C 0.433 176.747 176.600 -0.477 0.000 1.046 326 K CA 1.859 57.731 56.287 -0.693 0.000 0.933 326 K CB 0.007 32.394 32.500 -0.189 0.000 0.728 326 K HN 0.724 nan 8.250 nan 0.000 0.454 327 D N -1.436 118.775 120.400 -0.315 0.000 2.740 327 D HA 0.060 4.700 4.640 0.001 0.000 0.305 327 D C -0.742 175.470 176.300 -0.147 0.000 1.583 327 D CA -0.276 53.615 54.000 -0.181 0.000 0.790 327 D CB 0.103 40.839 40.800 -0.106 0.000 1.187 327 D HN 0.197 nan 8.370 nan 0.000 0.447 328 E N 0.118 120.200 120.200 -0.197 0.000 2.372 328 E HA 0.421 4.771 4.350 0.001 0.000 0.279 328 E C -1.637 174.809 176.600 -0.257 0.000 0.946 328 E CA -0.352 55.927 56.400 -0.200 0.000 0.769 328 E CB 2.235 31.840 29.700 -0.159 0.000 1.230 328 E HN -0.112 nan 8.360 nan 0.000 0.442 329 T N 2.217 116.512 114.554 -0.432 0.000 2.879 329 T HA 0.444 4.795 4.350 0.001 0.000 0.290 329 T C -1.134 173.281 174.700 -0.477 0.000 0.993 329 T CA -0.517 61.301 62.100 -0.470 0.000 0.975 329 T CB 1.677 70.159 68.868 -0.643 0.000 0.981 329 T HN 0.335 nan 8.240 nan 0.000 0.439 330 T N 3.689 118.109 114.554 -0.224 0.000 2.809 330 T HA 0.505 4.855 4.350 0.001 0.000 0.284 330 T C 0.013 174.694 174.700 -0.031 0.000 0.992 330 T CA -0.513 61.513 62.100 -0.124 0.000 0.957 330 T CB 0.499 69.318 68.868 -0.082 0.000 0.942 330 T HN 0.463 nan 8.240 nan 0.000 0.439 331 I N 3.919 124.517 120.570 0.046 0.000 2.310 331 I HA 0.287 4.458 4.170 0.001 0.000 0.287 331 I C 0.108 176.267 176.117 0.070 0.000 1.073 331 I CA -0.709 60.638 61.300 0.078 0.000 1.216 331 I CB 0.620 38.702 38.000 0.137 0.000 1.415 331 I HN 0.282 nan 8.210 nan 0.000 0.480 332 V N 4.543 124.478 119.914 0.034 0.000 2.904 332 V HA 0.380 4.500 4.120 0.001 0.000 0.305 332 V C 1.336 177.439 176.094 0.015 0.000 1.067 332 V CA -0.141 62.174 62.300 0.025 0.000 1.044 332 V CB 1.301 33.130 31.823 0.010 0.000 1.050 332 V HN 1.007 nan 8.190 nan 0.000 0.475 333 G N 2.793 111.600 108.800 0.011 0.000 2.390 333 G HA2 -0.166 3.794 3.960 0.001 0.000 0.299 333 G HA3 -0.166 3.794 3.960 0.001 0.000 0.299 333 G C 0.582 175.475 174.900 -0.011 0.000 1.002 333 G CA 0.124 45.222 45.100 -0.002 0.000 0.979 333 G HN 1.470 nan 8.290 nan 0.000 0.513 334 G N -0.661 108.140 108.800 0.001 0.000 2.414 334 G HA2 0.392 4.353 3.960 0.001 0.000 0.236 334 G HA3 0.392 4.353 3.960 0.001 0.000 0.236 334 G C 0.808 175.692 174.900 -0.028 0.000 1.293 334 G CA -0.282 44.809 45.100 -0.015 0.000 0.869 334 G HN 0.289 nan 8.290 nan 0.000 0.556 335 K N 2.060 122.431 120.400 -0.047 0.000 2.410 335 K HA 0.092 4.412 4.320 0.001 0.000 0.200 335 K C 1.593 178.170 176.600 -0.039 0.000 1.023 335 K CA 0.118 56.376 56.287 -0.047 0.000 1.149 335 K CB 0.353 32.811 32.500 -0.070 0.000 0.859 335 K HN 0.545 nan 8.250 nan 0.000 0.514 336 G N 1.657 110.435 108.800 -0.037 0.000 2.760 336 G HA2 -0.147 3.814 3.960 0.001 0.000 0.236 336 G HA3 -0.147 3.814 3.960 0.001 0.000 0.236 336 G C -0.328 174.559 174.900 -0.023 0.000 1.243 336 G CA -0.251 44.828 45.100 -0.034 0.000 0.850 336 G HN 0.153 nan 8.290 nan 0.000 0.595 337 K N 0.466 120.854 120.400 -0.020 0.000 2.297 337 K HA 0.120 4.440 4.320 0.001 0.000 0.286 337 K C 1.539 178.134 176.600 -0.009 0.000 1.053 337 K CA -0.377 55.902 56.287 -0.013 0.000 0.940 337 K CB 0.769 33.262 32.500 -0.011 0.000 1.019 337 K HN 0.566 nan 8.250 nan 0.000 0.475 338 K N 2.898 123.295 120.400 -0.005 0.000 2.059 338 K HA -0.262 4.059 4.320 0.001 0.000 0.212 338 K C 0.892 177.492 176.600 -0.000 0.000 1.050 338 K CA 2.212 58.499 56.287 -0.001 0.000 0.927 338 K CB 0.148 32.648 32.500 0.000 0.000 0.714 338 K HN 0.564 nan 8.250 nan 0.000 0.447 339 E N 0.811 121.010 120.200 -0.002 0.000 2.110 339 E HA -0.167 4.183 4.350 0.001 0.000 0.193 339 E C 1.577 178.175 176.600 -0.003 0.000 0.988 339 E CA 1.703 58.102 56.400 -0.001 0.000 0.804 339 E CB -0.169 29.530 29.700 -0.001 0.000 0.745 339 E HN 0.416 nan 8.360 nan 0.000 0.458 340 D N -0.227 120.169 120.400 -0.007 0.000 2.144 340 D HA -0.099 4.541 4.640 0.001 0.000 0.199 340 D C 1.701 177.995 176.300 -0.011 0.000 0.984 340 D CA 0.841 54.833 54.000 -0.012 0.000 0.834 340 D CB -0.001 40.787 40.800 -0.020 0.000 0.955 340 D HN 0.159 nan 8.370 nan 0.000 0.465 341 I N 0.713 121.280 120.570 -0.006 0.000 2.110 341 I HA -0.210 3.961 4.170 0.001 0.000 0.236 341 I C 2.225 178.347 176.117 0.008 0.000 1.068 341 I CA 1.068 62.370 61.300 0.003 0.000 1.333 341 I CB -0.318 37.689 38.000 0.012 0.000 1.054 341 I HN -0.019 nan 8.210 nan 0.000 0.402 342 E N 1.039 121.244 120.200 0.008 0.000 2.086 342 E HA -0.299 4.051 4.350 0.001 0.000 0.200 342 E C 2.237 178.841 176.600 0.006 0.000 1.012 342 E CA 1.617 58.022 56.400 0.008 0.000 0.812 342 E CB -0.290 29.414 29.700 0.006 0.000 0.743 342 E HN 0.555 nan 8.360 nan 0.000 0.453 343 A N 0.907 123.728 122.820 0.002 0.000 2.015 343 A HA -0.141 4.180 4.320 0.001 0.000 0.219 343 A C 2.073 179.656 177.584 -0.000 0.000 1.163 343 A CA 1.275 53.312 52.037 0.000 0.000 0.646 343 A CB -0.223 18.776 19.000 -0.002 0.000 0.806 343 A HN -0.021 nan 8.150 nan 0.000 0.448 344 R N -0.093 120.407 120.500 0.000 0.000 2.093 344 R HA 0.156 4.496 4.340 0.001 0.000 0.224 344 R C 1.746 178.052 176.300 0.010 0.000 1.101 344 R CA 1.232 57.333 56.100 0.001 0.000 0.979 344 R CB -0.578 29.721 30.300 -0.002 0.000 0.877 344 R HN 0.568 nan 8.270 nan 0.000 0.441 345 I N 0.575 121.154 120.570 0.015 0.000 2.141 345 I HA -0.252 3.919 4.170 0.001 0.000 0.236 345 I C 1.379 177.502 176.117 0.010 0.000 1.071 345 I CA 1.216 62.527 61.300 0.018 0.000 1.345 345 I CB -0.335 37.677 38.000 0.020 0.000 1.066 345 I HN 0.175 nan 8.210 nan 0.000 0.406 346 N N 1.142 119.846 118.700 0.008 0.000 2.513 346 N HA -0.126 4.614 4.740 0.001 0.000 0.187 346 N C 1.687 177.198 175.510 0.003 0.000 1.056 346 N CA 1.338 54.391 53.050 0.005 0.000 0.907 346 N CB -0.417 38.073 38.487 0.004 0.000 0.954 346 N HN 0.479 nan 8.380 nan 0.000 0.445 347 G N 0.495 109.296 108.800 0.003 0.000 2.464 347 G HA2 -0.052 3.908 3.960 0.001 0.000 0.217 347 G HA3 -0.052 3.908 3.960 0.001 0.000 0.217 347 G C 1.634 176.534 174.900 -0.000 0.000 1.138 347 G CA 0.014 45.115 45.100 0.001 0.000 0.793 347 G HN 0.248 nan 8.290 nan 0.000 0.539 348 I N 0.101 120.672 120.570 0.001 0.000 2.277 348 I HA -0.052 4.118 4.170 0.001 0.000 0.243 348 I C 2.715 178.830 176.117 -0.003 0.000 1.094 348 I CA 0.840 62.139 61.300 -0.001 0.000 1.393 348 I CB -0.149 37.852 38.000 0.001 0.000 1.078 348 I HN 0.067 nan 8.210 nan 0.000 0.417 349 K N 1.223 121.623 120.400 -0.000 0.000 1.978 349 K HA -0.186 4.135 4.320 0.001 0.000 0.214 349 K C 1.725 178.324 176.600 -0.001 0.000 1.049 349 K CA 1.448 57.735 56.287 -0.001 0.000 0.939 349 K CB -0.235 32.265 32.500 0.001 0.000 0.721 349 K HN -0.047 nan 8.250 nan 0.000 0.441 350 K N 1.108 121.509 120.400 0.000 0.000 2.664 350 K HA -0.088 4.232 4.320 0.001 0.000 0.193 350 K C 1.311 177.911 176.600 -0.000 0.000 1.028 350 K CA 0.704 56.991 56.287 0.001 0.000 1.005 350 K CB -0.011 32.490 32.500 0.001 0.000 0.815 350 K HN 0.210 nan 8.250 nan 0.000 0.496 351 E N -0.800 119.399 120.200 -0.002 0.000 2.467 351 E HA 0.103 4.454 4.350 0.001 0.000 0.213 351 E C 1.344 177.942 176.600 -0.004 0.000 0.823 351 E CA 0.102 56.501 56.400 -0.003 0.000 1.233 351 E CB 0.292 29.989 29.700 -0.004 0.000 1.233 351 E HN 0.201 nan 8.360 nan 0.000 0.585 352 L N 1.841 123.061 121.223 -0.005 0.000 2.201 352 L HA -0.085 4.255 4.340 0.001 0.000 0.212 352 L C 1.685 178.553 176.870 -0.002 0.000 1.105 352 L CA 1.306 56.143 54.840 -0.006 0.000 0.775 352 L CB -0.236 41.819 42.059 -0.008 0.000 0.913 352 L HN 0.160 nan 8.230 nan 0.000 0.440 353 E N -0.927 119.273 120.200 -0.000 0.000 2.322 353 E HA -0.021 4.330 4.350 0.001 0.000 0.195 353 E C 0.309 176.911 176.600 0.003 0.000 1.198 353 E CA 0.320 56.721 56.400 0.002 0.000 1.132 353 E CB -0.083 29.618 29.700 0.002 0.000 1.213 353 E HN 0.228 nan 8.360 nan 0.000 0.450 354 T N -1.002 113.554 114.554 0.003 0.000 3.416 354 T HA 0.022 4.372 4.350 0.001 0.000 0.298 354 T C 0.013 174.716 174.700 0.005 0.000 0.874 354 T CA -0.301 61.801 62.100 0.004 0.000 0.901 354 T CB 0.825 69.695 68.868 0.003 0.000 1.215 354 T HN 0.108 nan 8.240 nan 0.000 0.677 355 T N 2.772 117.328 114.554 0.003 0.000 2.771 355 T HA 0.336 4.686 4.350 0.001 0.000 0.291 355 T C 0.172 174.878 174.700 0.010 0.000 0.954 355 T CA -0.389 61.714 62.100 0.004 0.000 1.045 355 T CB 1.574 70.440 68.868 -0.004 0.000 0.917 355 T HN 0.039 nan 8.240 nan 0.000 0.484 356 D N 1.876 122.286 120.400 0.016 0.000 2.634 356 D HA 0.011 4.651 4.640 0.001 0.000 0.262 356 D C 1.123 177.442 176.300 0.033 0.000 1.354 356 D CA 0.496 54.510 54.000 0.022 0.000 1.028 356 D CB -0.499 40.314 40.800 0.022 0.000 1.061 356 D HN 0.618 nan 8.370 nan 0.000 0.387 357 S N 1.961 117.687 115.700 0.044 0.000 3.712 357 S HA -0.166 4.304 4.470 0.001 0.000 0.442 357 S C 0.989 175.637 174.600 0.081 0.000 1.086 357 S CA 0.139 58.381 58.200 0.070 0.000 1.356 357 S CB 0.079 63.336 63.200 0.095 0.000 0.876 357 S HN 0.247 nan 8.310 nan 0.000 0.547 358 E N 2.280 122.526 120.200 0.077 0.000 2.339 358 E HA -0.279 4.071 4.350 0.001 0.000 0.201 358 E C 1.178 177.845 176.600 0.111 0.000 1.015 358 E CA 1.442 57.887 56.400 0.074 0.000 0.841 358 E CB -0.155 29.587 29.700 0.070 0.000 0.754 358 E HN 0.993 nan 8.360 nan 0.000 0.508 359 Y N 0.229 120.531 120.300 0.002 0.000 2.163 359 Y HA -0.079 4.471 4.550 0.001 0.000 0.288 359 Y C 2.034 177.934 175.900 0.000 0.000 1.136 359 Y CA 1.480 59.580 58.100 -0.001 0.000 1.147 359 Y CB -0.681 37.776 38.460 -0.004 0.000 0.987 359 Y HN 0.085 nan 8.280 nan 0.000 0.509 360 A N 0.710 123.468 122.820 -0.103 0.000 2.015 360 A HA -0.131 4.189 4.320 0.001 0.000 0.219 360 A C 2.232 179.732 177.584 -0.140 0.000 1.163 360 A CA 1.394 53.317 52.037 -0.189 0.000 0.646 360 A CB -0.519 18.447 19.000 -0.057 0.000 0.806 360 A HN 0.535 nan 8.150 nan 0.000 0.448 361 R N -0.319 120.139 120.500 -0.070 0.000 2.235 361 R HA -0.023 4.317 4.340 0.001 0.000 0.213 361 R C 1.532 177.794 176.300 -0.062 0.000 1.059 361 R CA 1.084 57.155 56.100 -0.047 0.000 0.997 361 R CB -0.125 30.168 30.300 -0.012 0.000 0.884 361 R HN 0.648 nan 8.270 nan 0.000 0.462 362 E N 0.681 120.825 120.200 -0.094 0.000 2.170 362 E HA -0.048 4.302 4.350 0.001 0.000 0.191 362 E C 1.623 178.146 176.600 -0.127 0.000 0.981 362 E CA 0.593 56.942 56.400 -0.085 0.000 0.830 362 E CB 0.303 29.978 29.700 -0.042 0.000 0.775 362 E HN 0.252 nan 8.360 nan 0.000 0.470 363 K N 0.632 120.903 120.400 -0.215 0.000 2.044 363 K HA 0.026 4.347 4.320 0.001 0.000 0.204 363 K C 1.847 178.382 176.600 -0.109 0.000 1.049 363 K CA 0.600 56.772 56.287 -0.191 0.000 0.945 363 K CB -0.027 32.301 32.500 -0.288 0.000 0.724 363 K HN 0.130 nan 8.250 nan 0.000 0.440 364 L N 1.378 122.543 121.223 -0.098 0.000 2.737 364 L HA -0.061 4.279 4.340 0.001 0.000 0.246 364 L C 2.001 178.846 176.870 -0.041 0.000 1.153 364 L CA 0.485 55.292 54.840 -0.056 0.000 0.920 364 L CB -0.325 41.706 42.059 -0.047 0.000 1.090 364 L HN 0.282 nan 8.230 nan 0.000 0.430 365 Q N 0.135 119.905 119.800 -0.051 0.000 2.404 365 Q HA -0.057 4.283 4.340 0.001 0.000 0.262 365 Q C 1.928 177.904 176.000 -0.040 0.000 0.846 365 Q CA 0.211 55.990 55.803 -0.039 0.000 0.978 365 Q CB 0.494 29.209 28.738 -0.039 0.000 1.156 365 Q HN 0.574 nan 8.270 nan 0.000 0.548 366 E N -0.150 120.020 120.200 -0.050 0.000 2.208 366 E HA -0.120 4.231 4.350 0.001 0.000 0.193 366 E C 1.769 178.337 176.600 -0.053 0.000 0.988 366 E CA 0.260 56.627 56.400 -0.055 0.000 0.828 366 E CB 0.014 29.680 29.700 -0.057 0.000 0.763 366 E HN 0.163 nan 8.360 nan 0.000 0.478 367 R N 0.320 120.804 120.500 -0.027 0.000 2.064 367 R HA -0.076 4.265 4.340 0.001 0.000 0.228 367 R C 2.370 178.682 176.300 0.021 0.000 1.144 367 R CA 1.315 57.423 56.100 0.013 0.000 0.932 367 R CB -0.556 29.762 30.300 0.030 0.000 0.833 367 R HN 0.189 nan 8.270 nan 0.000 0.429 368 L N 0.969 122.198 121.223 0.010 0.000 2.351 368 L HA -0.159 4.181 4.340 0.001 0.000 0.220 368 L C 1.819 178.691 176.870 0.003 0.000 1.127 368 L CA 1.675 56.523 54.840 0.013 0.000 0.786 368 L CB -0.600 41.460 42.059 0.001 0.000 0.914 368 L HN 0.212 nan 8.230 nan 0.000 0.443 369 A N -0.529 122.278 122.820 -0.022 0.000 1.843 369 A HA -0.125 4.195 4.320 0.001 0.000 0.213 369 A C 2.225 179.775 177.584 -0.057 0.000 1.202 369 A CA 1.369 53.381 52.037 -0.042 0.000 0.607 369 A CB -0.357 18.605 19.000 -0.062 0.000 0.847 369 A HN 0.454 nan 8.150 nan 0.000 0.445 370 K N 0.130 120.460 120.400 -0.118 0.000 1.978 370 K HA -0.115 4.205 4.320 0.001 0.000 0.214 370 K C 1.845 178.433 176.600 -0.020 0.000 1.049 370 K CA 1.619 57.768 56.287 -0.230 0.000 0.939 370 K CB -0.719 31.364 32.500 -0.694 0.000 0.721 370 K HN 0.398 nan 8.250 nan 0.000 0.441 371 L N 0.792 122.095 121.223 0.133 0.000 2.171 371 L HA -0.260 4.081 4.340 0.001 0.000 0.216 371 L C 2.308 179.248 176.870 0.116 0.000 1.084 371 L CA 1.321 56.291 54.840 0.217 0.000 0.771 371 L CB -0.677 41.477 42.059 0.159 0.000 0.890 371 L HN 0.311 nan 8.230 nan 0.000 0.437 372 A N -0.637 122.220 122.820 0.061 0.000 2.278 372 A HA 0.337 4.657 4.320 0.001 0.000 0.212 372 A C 1.797 179.404 177.584 0.038 0.000 1.213 372 A CA 0.714 52.776 52.037 0.041 0.000 0.840 372 A CB -0.600 18.413 19.000 0.023 0.000 0.866 372 A HN 0.527 nan 8.150 nan 0.000 0.489 373 G N 0.435 109.262 108.800 0.044 0.000 2.952 373 G HA2 -0.271 3.689 3.960 0.001 0.000 0.346 373 G HA3 -0.271 3.689 3.960 0.001 0.000 0.346 373 G C 1.199 176.121 174.900 0.037 0.000 1.191 373 G CA 0.580 45.705 45.100 0.041 0.000 0.961 373 G HN 1.796 nan 8.290 nan 0.000 0.588 374 G N 0.115 108.943 108.800 0.046 0.000 2.388 374 G HA2 0.403 4.364 3.960 0.001 0.000 0.289 374 G HA3 0.403 4.364 3.960 0.001 0.000 0.289 374 G C -0.264 174.673 174.900 0.062 0.000 0.791 374 G CA 0.674 45.816 45.100 0.069 0.000 1.619 374 G HN 1.332 nan 8.290 nan 0.000 0.375 375 V N 2.278 122.229 119.914 0.061 0.000 2.483 375 V HA 0.682 4.802 4.120 0.001 0.000 0.297 375 V C 0.422 176.492 176.094 -0.039 0.000 1.027 375 V CA -0.553 61.749 62.300 0.003 0.000 0.855 375 V CB 1.451 33.257 31.823 -0.027 0.000 0.995 375 V HN 0.966 nan 8.190 nan 0.000 0.424 376 A N 4.759 127.494 122.820 -0.143 0.000 2.306 376 A HA 0.927 5.248 4.320 0.001 0.000 0.330 376 A C -0.867 176.534 177.584 -0.305 0.000 1.146 376 A CA -0.574 51.223 52.037 -0.400 0.000 0.827 376 A CB 1.699 20.390 19.000 -0.515 0.000 1.178 376 A HN 0.742 nan 8.150 nan 0.000 0.490 377 V N 2.871 122.569 119.914 -0.360 0.000 2.577 377 V HA 0.252 4.372 4.120 0.001 0.000 0.294 377 V C -0.796 175.131 176.094 -0.279 0.000 1.052 377 V CA -0.044 62.101 62.300 -0.258 0.000 0.891 377 V CB 1.384 33.095 31.823 -0.187 0.000 1.017 377 V HN 0.746 nan 8.190 nan 0.000 0.436 378 I N 5.228 125.618 120.570 -0.299 0.000 2.312 378 I HA 0.445 4.615 4.170 0.001 0.000 0.291 378 I C 0.501 176.414 176.117 -0.339 0.000 1.031 378 I CA -0.277 60.804 61.300 -0.366 0.000 1.293 378 I CB 0.721 38.387 38.000 -0.556 0.000 1.403 378 I HN 0.418 nan 8.210 nan 0.000 0.484 379 R N 5.865 126.210 120.500 -0.257 0.000 2.233 379 R HA 0.392 4.732 4.340 0.001 0.000 0.334 379 R C -0.781 175.407 176.300 -0.187 0.000 1.037 379 R CA -0.675 55.311 56.100 -0.191 0.000 0.920 379 R CB 1.173 31.398 30.300 -0.125 0.000 1.137 379 R HN 0.385 nan 8.270 nan 0.000 0.492 380 V N 2.657 122.446 119.914 -0.209 0.000 2.572 380 V HA 0.208 4.328 4.120 0.001 0.000 0.291 380 V C 1.061 177.139 176.094 -0.026 0.000 1.039 380 V CA -0.100 62.129 62.300 -0.120 0.000 1.055 380 V CB 1.121 32.907 31.823 -0.063 0.000 0.969 380 V HN 0.873 nan 8.190 nan 0.000 0.482 381 G N 2.753 111.562 108.800 0.015 0.000 2.454 381 G HA2 0.857 4.817 3.960 0.001 0.000 0.329 381 G HA3 0.857 4.817 3.960 0.001 0.000 0.329 381 G C -0.723 174.202 174.900 0.041 0.000 1.177 381 G CA -0.071 45.040 45.100 0.019 0.000 0.951 381 G HN 1.242 nan 8.290 nan 0.000 0.485 382 A N -0.662 122.175 122.820 0.028 0.000 2.601 382 A HA 0.774 5.095 4.320 0.001 0.000 0.291 382 A C 0.556 178.151 177.584 0.018 0.000 1.075 382 A CA 0.359 52.413 52.037 0.030 0.000 0.671 382 A CB 0.705 19.726 19.000 0.036 0.000 1.277 382 A HN 1.856 nan 8.150 nan 0.000 0.417 383 A N -0.304 122.526 122.820 0.016 0.000 2.021 383 A HA 0.467 4.787 4.320 0.001 0.000 0.216 383 A C 1.127 178.716 177.584 0.009 0.000 1.163 383 A CA 2.047 54.090 52.037 0.011 0.000 0.676 383 A CB -0.392 18.614 19.000 0.009 0.000 0.818 383 A HN 1.983 nan 8.150 nan 0.000 0.453 384 T N -4.320 110.241 114.554 0.012 0.000 2.906 384 T HA 0.510 4.860 4.350 0.001 0.000 0.295 384 T C 0.347 175.054 174.700 0.013 0.000 1.075 384 T CA -0.095 62.011 62.100 0.010 0.000 1.005 384 T CB 1.907 70.780 68.868 0.009 0.000 1.136 384 T HN 0.002 nan 8.240 nan 0.000 0.498 385 E N 1.342 121.548 120.200 0.010 0.000 2.038 385 E HA -0.112 4.238 4.350 0.001 0.000 0.195 385 E C 2.035 178.644 176.600 0.015 0.000 1.000 385 E CA 2.342 58.749 56.400 0.012 0.000 0.803 385 E CB -0.983 28.722 29.700 0.009 0.000 0.750 385 E HN 0.788 nan 8.360 nan 0.000 0.448 386 T N 0.379 114.940 114.554 0.012 0.000 2.720 386 T HA -0.211 4.140 4.350 0.001 0.000 0.268 386 T C 1.756 176.465 174.700 0.015 0.000 1.037 386 T CA 1.628 63.735 62.100 0.011 0.000 1.144 386 T CB -0.318 68.554 68.868 0.007 0.000 0.864 386 T HN 0.372 nan 8.240 nan 0.000 0.444 387 E N 0.335 120.545 120.200 0.017 0.000 2.047 387 E HA -0.109 4.241 4.350 0.001 0.000 0.191 387 E C 2.203 178.825 176.600 0.035 0.000 0.987 387 E CA 0.715 57.128 56.400 0.022 0.000 0.799 387 E CB -0.205 29.507 29.700 0.019 0.000 0.752 387 E HN 0.286 nan 8.360 nan 0.000 0.449 388 L N 2.009 123.254 121.223 0.036 0.000 1.990 388 L HA -0.236 4.104 4.340 0.001 0.000 0.213 388 L C 2.391 179.299 176.870 0.063 0.000 1.072 388 L CA 2.299 57.168 54.840 0.049 0.000 0.755 388 L CB -0.643 41.437 42.059 0.035 0.000 0.889 388 L HN 0.053 nan 8.230 nan 0.000 0.432 389 K N -0.992 119.437 120.400 0.049 0.000 2.127 389 K HA -0.294 4.026 4.320 0.001 0.000 0.208 389 K C 2.089 178.740 176.600 0.084 0.000 1.047 389 K CA 1.977 58.299 56.287 0.057 0.000 0.927 389 K CB -0.105 32.415 32.500 0.032 0.000 0.716 389 K HN 0.486 nan 8.250 nan 0.000 0.450 390 E N 0.740 120.981 120.200 0.068 0.000 2.122 390 E HA -0.098 4.252 4.350 0.001 0.000 0.190 390 E C 1.793 178.462 176.600 0.116 0.000 0.977 390 E CA 1.195 57.643 56.400 0.080 0.000 0.820 390 E CB 0.043 29.763 29.700 0.032 0.000 0.770 390 E HN 0.231 nan 8.360 nan 0.000 0.462 391 K N 0.602 121.061 120.400 0.098 0.000 2.026 391 K HA -0.205 4.115 4.320 0.001 0.000 0.208 391 K C 2.176 178.909 176.600 0.221 0.000 1.048 391 K CA 1.635 57.989 56.287 0.112 0.000 0.929 391 K CB -0.121 32.450 32.500 0.118 0.000 0.713 391 K HN 0.003 nan 8.250 nan 0.000 0.439 392 K N -0.252 120.281 120.400 0.222 0.000 2.009 392 K HA -0.280 4.040 4.320 0.001 0.000 0.210 392 K C 2.180 178.914 176.600 0.224 0.000 1.049 392 K CA 2.146 58.574 56.287 0.235 0.000 0.929 392 K CB -0.324 32.251 32.500 0.126 0.000 0.714 392 K HN 0.267 nan 8.250 nan 0.000 0.440 393 H N 0.416 119.543 119.070 0.096 0.000 2.319 393 H HA -0.089 4.467 4.556 0.001 0.000 0.297 393 H C 2.029 177.391 175.328 0.056 0.000 1.097 393 H CA 2.263 58.350 56.048 0.064 0.000 1.285 393 H CB 0.104 29.886 29.762 0.033 0.000 1.368 393 H HN 0.174 nan 8.280 nan 0.000 0.495 394 R N -0.966 119.576 120.500 0.069 0.000 2.103 394 R HA -0.173 4.168 4.340 0.001 0.000 0.242 394 R C 2.306 178.531 176.300 -0.125 0.000 1.142 394 R CA 1.708 57.771 56.100 -0.061 0.000 0.960 394 R CB -0.488 29.745 30.300 -0.111 0.000 0.858 394 R HN 0.346 nan 8.270 nan 0.000 0.439 395 F N 1.187 121.096 119.950 -0.070 0.000 2.095 395 F HA -0.208 4.319 4.527 0.000 0.000 0.298 395 F C 2.413 178.147 175.800 -0.109 0.000 1.104 395 F CA 1.515 59.471 58.000 -0.074 0.000 1.232 395 F CB -0.120 38.845 39.000 -0.058 0.000 0.987 395 F HN 0.092 nan 8.300 nan 0.000 0.475 396 E N 0.024 120.253 120.200 0.047 0.000 2.058 396 E HA -0.242 4.109 4.350 0.001 0.000 0.194 396 E C 1.769 178.292 176.600 -0.128 0.000 0.997 396 E CA 1.552 57.907 56.400 -0.074 0.000 0.801 396 E CB -0.365 29.236 29.700 -0.165 0.000 0.746 396 E HN 0.387 nan 8.360 nan 0.000 0.450 397 D N 0.739 121.002 120.400 -0.229 0.000 2.104 397 D HA -0.155 4.486 4.640 0.001 0.000 0.194 397 D C 1.990 178.242 176.300 -0.080 0.000 0.994 397 D CA 1.489 55.393 54.000 -0.161 0.000 0.830 397 D CB -0.456 40.253 40.800 -0.151 0.000 0.959 397 D HN 0.184 nan 8.370 nan 0.000 0.452 398 A N 0.743 123.521 122.820 -0.070 0.000 1.917 398 A HA -0.198 4.122 4.320 0.001 0.000 0.219 398 A C 2.433 180.008 177.584 -0.015 0.000 1.182 398 A CA 1.257 53.268 52.037 -0.045 0.000 0.633 398 A CB -0.880 18.086 19.000 -0.056 0.000 0.819 398 A HN 0.227 nan 8.150 nan 0.000 0.448 399 L N -0.458 120.766 121.223 0.002 0.000 1.961 399 L HA -0.231 4.109 4.340 0.001 0.000 0.210 399 L C 2.409 179.272 176.870 -0.012 0.000 1.072 399 L CA 1.503 56.344 54.840 0.003 0.000 0.749 399 L CB -0.821 41.240 42.059 0.004 0.000 0.889 399 L HN 0.410 nan 8.230 nan 0.000 0.432 400 N N 0.266 118.952 118.700 -0.024 0.000 2.133 400 N HA -0.259 4.482 4.740 0.001 0.000 0.193 400 N C 1.711 177.211 175.510 -0.017 0.000 1.012 400 N CA 1.771 54.808 53.050 -0.022 0.000 0.871 400 N CB -0.308 38.160 38.487 -0.031 0.000 1.011 400 N HN 0.425 nan 8.380 nan 0.000 0.435 401 A N 0.891 123.699 122.820 -0.020 0.000 1.841 401 A HA -0.107 4.213 4.320 0.001 0.000 0.214 401 A C 2.454 180.031 177.584 -0.011 0.000 1.195 401 A CA 2.073 54.100 52.037 -0.017 0.000 0.611 401 A CB -1.188 17.798 19.000 -0.023 0.000 0.835 401 A HN 0.312 nan 8.150 nan 0.000 0.443 402 T N 0.337 114.885 114.554 -0.009 0.000 2.597 402 T HA -0.225 4.126 4.350 0.001 0.000 0.267 402 T C 2.088 176.787 174.700 -0.002 0.000 1.053 402 T CA 1.651 63.749 62.100 -0.003 0.000 1.165 402 T CB -0.362 68.507 68.868 0.002 0.000 0.863 402 T HN 0.360 nan 8.240 nan 0.000 0.427 403 R N 1.476 121.974 120.500 -0.003 0.000 2.112 403 R HA -0.057 4.284 4.340 0.001 0.000 0.242 403 R C 2.797 179.095 176.300 -0.002 0.000 1.137 403 R CA 1.805 57.904 56.100 -0.002 0.000 0.944 403 R CB -1.462 28.835 30.300 -0.004 0.000 0.857 403 R HN 0.516 nan 8.270 nan 0.000 0.435 404 A N 1.071 123.889 122.820 -0.004 0.000 1.972 404 A HA -0.066 4.254 4.320 0.001 0.000 0.219 404 A C 2.428 180.011 177.584 -0.002 0.000 1.169 404 A CA 1.917 53.953 52.037 -0.003 0.000 0.635 404 A CB -0.573 18.425 19.000 -0.004 0.000 0.810 404 A HN 0.398 nan 8.150 nan 0.000 0.446 405 A N -0.439 122.379 122.820 -0.003 0.000 1.877 405 A HA -0.039 4.282 4.320 0.001 0.000 0.216 405 A C 2.225 179.809 177.584 -0.000 0.000 1.186 405 A CA 1.891 53.926 52.037 -0.003 0.000 0.620 405 A CB -1.032 17.965 19.000 -0.004 0.000 0.822 405 A HN 0.435 nan 8.150 nan 0.000 0.443 406 V N 0.209 120.124 119.914 0.001 0.000 2.343 406 V HA -0.288 3.833 4.120 0.001 0.000 0.247 406 V C 2.391 178.487 176.094 0.003 0.000 1.051 406 V CA 2.321 64.623 62.300 0.003 0.000 1.036 406 V CB -0.971 30.855 31.823 0.004 0.000 0.654 406 V HN 0.632 nan 8.190 nan 0.000 0.451 407 E N 0.218 120.420 120.200 0.002 0.000 2.001 407 E HA -0.207 4.144 4.350 0.001 0.000 0.195 407 E C 1.965 178.567 176.600 0.002 0.000 1.002 407 E CA 1.580 57.981 56.400 0.002 0.000 0.819 407 E CB -0.150 29.551 29.700 0.002 0.000 0.769 407 E HN 0.654 nan 8.360 nan 0.000 0.454 408 E N -0.102 120.099 120.200 0.002 0.000 2.481 408 E HA 0.207 4.557 4.350 0.001 0.000 0.198 408 E C 0.437 177.038 176.600 0.002 0.000 1.027 408 E CA 0.163 56.564 56.400 0.002 0.000 0.900 408 E CB 1.216 30.917 29.700 0.002 0.000 0.993 408 E HN 0.290 nan 8.360 nan 0.000 0.482 409 G N 1.419 110.220 108.800 0.002 0.000 2.466 409 G HA2 -0.146 3.815 3.960 0.001 0.000 0.316 409 G HA3 -0.146 3.815 3.960 0.001 0.000 0.316 409 G C -1.147 173.753 174.900 -0.000 0.000 1.270 409 G CA -0.762 44.338 45.100 0.001 0.000 0.982 409 G HN 0.108 nan 8.290 nan 0.000 0.506 410 I N 0.377 120.947 120.570 -0.000 0.000 2.686 410 I HA 0.643 4.813 4.170 0.001 0.000 0.295 410 I C 0.273 176.389 176.117 -0.001 0.000 1.114 410 I CA -1.100 60.198 61.300 -0.002 0.000 1.038 410 I CB 2.019 40.017 38.000 -0.003 0.000 1.238 410 I HN 1.013 nan 8.210 nan 0.000 0.420 411 V N 3.973 123.885 119.914 -0.003 0.000 3.141 411 V HA 0.725 4.845 4.120 0.001 0.000 0.312 411 V C -2.749 173.342 176.094 -0.006 0.000 1.157 411 V CA -2.214 60.085 62.300 -0.001 0.000 1.041 411 V CB 1.517 33.340 31.823 0.000 0.000 1.071 411 V HN 0.529 nan 8.190 nan 0.000 0.441 412 P HA 0.256 nan 4.420 nan 0.000 0.271 412 P C 0.211 177.499 177.300 -0.021 0.000 1.216 412 P CA 0.619 63.713 63.100 -0.011 0.000 0.771 412 P CB 1.080 32.780 31.700 0.000 0.000 0.864 413 G N 1.500 110.279 108.800 -0.036 0.000 2.546 413 G HA2 0.392 4.352 3.960 0.001 0.000 0.239 413 G HA3 0.392 4.352 3.960 0.001 0.000 0.239 413 G C 0.791 175.658 174.900 -0.055 0.000 1.476 413 G CA -0.233 44.840 45.100 -0.045 0.000 1.064 413 G HN 0.725 nan 8.290 nan 0.000 0.561 414 G N -1.712 107.049 108.800 -0.066 0.000 2.296 414 G HA2 0.186 4.146 3.960 0.001 0.000 0.282 414 G HA3 0.186 4.146 3.960 0.001 0.000 0.282 414 G C 1.572 176.446 174.900 -0.044 0.000 1.014 414 G CA 1.339 46.396 45.100 -0.072 0.000 0.812 414 G HN 2.419 nan 8.290 nan 0.000 0.508 415 G N -2.701 106.082 108.800 -0.030 0.000 2.189 415 G HA2 -0.289 3.672 3.960 0.001 0.000 0.267 415 G HA3 -0.289 3.672 3.960 0.001 0.000 0.267 415 G C 1.519 176.413 174.900 -0.010 0.000 0.975 415 G CA 1.315 46.406 45.100 -0.015 0.000 0.644 415 G HN 1.469 nan 8.290 nan 0.000 0.537 416 V N 0.481 120.384 119.914 -0.019 0.000 2.282 416 V HA -0.236 3.884 4.120 0.001 0.000 0.249 416 V C 2.923 179.022 176.094 0.008 0.000 1.057 416 V CA 3.288 65.584 62.300 -0.007 0.000 1.032 416 V CB -1.004 30.807 31.823 -0.019 0.000 0.645 416 V HN 0.678 nan 8.190 nan 0.000 0.447 417 T N -0.283 114.272 114.554 0.003 0.000 2.720 417 T HA -0.198 4.152 4.350 0.001 0.000 0.268 417 T C 1.714 176.421 174.700 0.011 0.000 1.037 417 T CA 1.968 64.074 62.100 0.009 0.000 1.144 417 T CB -0.263 68.608 68.868 0.004 0.000 0.864 417 T HN 0.323 nan 8.240 nan 0.000 0.444 418 L N 0.533 121.760 121.223 0.008 0.000 2.201 418 L HA 0.142 4.482 4.340 0.001 0.000 0.212 418 L C 2.499 179.378 176.870 0.014 0.000 1.105 418 L CA 0.990 55.836 54.840 0.009 0.000 0.775 418 L CB -0.604 41.459 42.059 0.006 0.000 0.913 418 L HN 0.285 nan 8.230 nan 0.000 0.440 419 L N -0.900 120.333 121.223 0.017 0.000 2.056 419 L HA -0.154 4.187 4.340 0.001 0.000 0.207 419 L C 2.657 179.545 176.870 0.029 0.000 1.078 419 L CA 0.828 55.682 54.840 0.024 0.000 0.749 419 L CB -0.445 41.632 42.059 0.030 0.000 0.901 419 L HN 0.234 nan 8.230 nan 0.000 0.433 420 R N 0.204 120.723 120.500 0.031 0.000 2.193 420 R HA -0.057 4.283 4.340 0.001 0.000 0.229 420 R C 2.087 178.402 176.300 0.025 0.000 1.110 420 R CA 1.127 57.247 56.100 0.034 0.000 0.988 420 R CB -0.844 29.478 30.300 0.036 0.000 0.871 420 R HN 0.327 nan 8.270 nan 0.000 0.458 421 A N 0.870 123.702 122.820 0.020 0.000 2.119 421 A HA -0.016 4.305 4.320 0.001 0.000 0.217 421 A C 2.172 179.766 177.584 0.016 0.000 1.153 421 A CA 0.509 52.555 52.037 0.017 0.000 0.692 421 A CB -0.358 18.650 19.000 0.013 0.000 0.799 421 A HN 0.161 nan 8.150 nan 0.000 0.458 422 I N 0.786 121.367 120.570 0.019 0.000 2.127 422 I HA -0.310 3.860 4.170 0.001 0.000 0.241 422 I C 2.919 179.046 176.117 0.017 0.000 1.075 422 I CA 1.730 63.041 61.300 0.018 0.000 1.334 422 I CB -0.488 37.524 38.000 0.020 0.000 1.040 422 I HN 0.502 nan 8.210 nan 0.000 0.405 423 S N 1.461 117.173 115.700 0.019 0.000 2.407 423 S HA -0.255 4.215 4.470 0.001 0.000 0.235 423 S C 2.165 176.773 174.600 0.014 0.000 1.036 423 S CA 1.171 59.382 58.200 0.018 0.000 1.013 423 S CB -0.756 62.456 63.200 0.020 0.000 0.820 423 S HN 0.468 nan 8.310 nan 0.000 0.476 424 A N 1.585 124.413 122.820 0.014 0.000 1.873 424 A HA 0.109 4.429 4.320 0.001 0.000 0.215 424 A C 2.450 180.040 177.584 0.011 0.000 1.186 424 A CA 1.544 53.588 52.037 0.012 0.000 0.616 424 A CB -1.062 17.945 19.000 0.012 0.000 0.823 424 A HN 0.493 nan 8.150 nan 0.000 0.442 425 V N 0.057 119.977 119.914 0.011 0.000 2.407 425 V HA -0.236 3.884 4.120 0.001 0.000 0.248 425 V C 2.485 178.585 176.094 0.010 0.000 1.055 425 V CA 2.307 64.613 62.300 0.010 0.000 1.049 425 V CB -0.881 30.948 31.823 0.010 0.000 0.662 425 V HN 0.650 nan 8.190 nan 0.000 0.455 426 E N 0.864 121.070 120.200 0.010 0.000 2.033 426 E HA -0.273 4.077 4.350 0.001 0.000 0.199 426 E C 2.153 178.759 176.600 0.009 0.000 1.011 426 E CA 1.867 58.272 56.400 0.010 0.000 0.815 426 E CB -0.336 29.371 29.700 0.011 0.000 0.755 426 E HN 0.557 nan 8.360 nan 0.000 0.451 427 E N -0.317 119.888 120.200 0.009 0.000 2.097 427 E HA -0.180 4.170 4.350 0.001 0.000 0.196 427 E C 1.948 178.552 176.600 0.007 0.000 1.000 427 E CA 1.130 57.535 56.400 0.008 0.000 0.804 427 E CB -0.474 29.231 29.700 0.008 0.000 0.740 427 E HN 0.320 nan 8.360 nan 0.000 0.454 428 L N 0.279 121.506 121.223 0.007 0.000 2.046 428 L HA -0.086 4.254 4.340 0.001 0.000 0.208 428 L C 2.081 178.955 176.870 0.006 0.000 1.077 428 L CA 1.646 56.490 54.840 0.007 0.000 0.747 428 L CB -0.583 41.480 42.059 0.007 0.000 0.896 428 L HN 0.237 nan 8.230 nan 0.000 0.432 429 I N -0.157 120.418 120.570 0.007 0.000 2.194 429 I HA -0.369 3.802 4.170 0.001 0.000 0.246 429 I C 2.378 178.498 176.117 0.006 0.000 1.093 429 I CA 1.691 62.995 61.300 0.006 0.000 1.355 429 I CB -0.522 37.483 38.000 0.007 0.000 1.046 429 I HN 0.302 nan 8.210 nan 0.000 0.413 430 K N 0.531 120.934 120.400 0.006 0.000 2.286 430 K HA -0.232 4.089 4.320 0.001 0.000 0.203 430 K C 1.870 178.473 176.600 0.005 0.000 1.045 430 K CA 1.139 57.429 56.287 0.005 0.000 0.935 430 K CB -0.135 32.368 32.500 0.005 0.000 0.737 430 K HN 0.061 nan 8.250 nan 0.000 0.460 431 K N 0.556 120.959 120.400 0.005 0.000 2.374 431 K HA 0.186 4.507 4.320 0.001 0.000 0.196 431 K C -0.128 176.475 176.600 0.005 0.000 1.023 431 K CA 0.087 56.377 56.287 0.005 0.000 1.103 431 K CB 0.412 32.915 32.500 0.005 0.000 0.848 431 K HN -0.050 nan 8.250 nan 0.000 0.528 432 L N 0.194 121.420 121.223 0.005 0.000 2.332 432 L HA 0.479 4.819 4.340 0.001 0.000 0.269 432 L C 0.038 176.911 176.870 0.005 0.000 1.016 432 L CA -0.815 54.028 54.840 0.005 0.000 0.809 432 L CB 1.919 43.981 42.059 0.005 0.000 1.280 432 L HN 0.049 nan 8.230 nan 0.000 0.447 433 E N -0.716 119.487 120.200 0.005 0.000 2.447 433 E HA 0.513 4.863 4.350 0.001 0.000 0.258 433 E C -0.119 176.484 176.600 0.005 0.000 0.916 433 E CA -0.394 56.009 56.400 0.005 0.000 0.846 433 E CB 1.457 31.160 29.700 0.004 0.000 1.517 433 E HN 0.721 nan 8.360 nan 0.000 0.418 434 G N 1.111 109.914 108.800 0.005 0.000 2.530 434 G HA2 -0.366 3.594 3.960 0.001 0.000 0.405 434 G HA3 -0.366 3.594 3.960 0.001 0.000 0.405 434 G C 0.410 175.313 174.900 0.006 0.000 1.363 434 G CA 0.749 45.852 45.100 0.005 0.000 0.927 434 G HN 0.698 nan 8.290 nan 0.000 0.525 435 D N 0.043 120.447 120.400 0.006 0.000 2.218 435 D HA -0.071 4.569 4.640 0.001 0.000 0.204 435 D C 2.114 178.418 176.300 0.006 0.000 0.976 435 D CA 1.367 55.371 54.000 0.006 0.000 0.853 435 D CB -0.167 40.638 40.800 0.007 0.000 0.939 435 D HN 0.674 nan 8.370 nan 0.000 0.481 436 E N 0.465 120.668 120.200 0.006 0.000 2.118 436 E HA -0.158 4.192 4.350 0.001 0.000 0.195 436 E C 1.997 178.600 176.600 0.006 0.000 0.992 436 E CA 0.956 57.359 56.400 0.006 0.000 0.804 436 E CB 0.090 29.794 29.700 0.006 0.000 0.741 436 E HN 0.188 nan 8.360 nan 0.000 0.458 437 A N -0.056 122.768 122.820 0.006 0.000 1.968 437 A HA -0.115 4.205 4.320 0.001 0.000 0.217 437 A C 2.295 179.883 177.584 0.006 0.000 1.169 437 A CA 1.633 53.673 52.037 0.006 0.000 0.638 437 A CB -0.612 18.391 19.000 0.006 0.000 0.812 437 A HN 0.244 nan 8.150 nan 0.000 0.446 438 T N -0.037 114.521 114.554 0.006 0.000 2.708 438 T HA -0.063 4.287 4.350 0.001 0.000 0.266 438 T C 2.024 176.728 174.700 0.007 0.000 1.037 438 T CA 1.506 63.610 62.100 0.007 0.000 1.146 438 T CB -0.731 68.141 68.868 0.007 0.000 0.865 438 T HN 0.576 nan 8.240 nan 0.000 0.435 439 G N 1.388 110.193 108.800 0.007 0.000 2.491 439 G HA2 -0.174 3.786 3.960 0.001 0.000 0.218 439 G HA3 -0.174 3.786 3.960 0.001 0.000 0.218 439 G C 1.853 176.757 174.900 0.007 0.000 1.180 439 G CA 1.156 46.260 45.100 0.007 0.000 0.774 439 G HN 0.598 nan 8.290 nan 0.000 0.562 440 A N 0.806 123.630 122.820 0.007 0.000 1.883 440 A HA -0.077 4.243 4.320 0.001 0.000 0.217 440 A C 2.317 179.905 177.584 0.008 0.000 1.186 440 A CA 2.147 54.189 52.037 0.007 0.000 0.624 440 A CB -0.441 18.563 19.000 0.007 0.000 0.822 440 A HN 0.415 nan 8.150 nan 0.000 0.444 441 K N -0.414 119.991 120.400 0.007 0.000 2.103 441 K HA -0.117 4.204 4.320 0.001 0.000 0.207 441 K C 1.797 178.402 176.600 0.008 0.000 1.048 441 K CA 1.564 57.856 56.287 0.008 0.000 0.930 441 K CB -0.452 32.053 32.500 0.007 0.000 0.716 441 K HN 0.575 nan 8.250 nan 0.000 0.444 442 I N 0.716 121.290 120.570 0.008 0.000 2.151 442 I HA -0.307 3.863 4.170 0.001 0.000 0.243 442 I C 2.239 178.361 176.117 0.008 0.000 1.080 442 I CA 1.269 62.574 61.300 0.008 0.000 1.339 442 I CB -0.448 37.556 38.000 0.007 0.000 1.039 442 I HN -0.041 nan 8.210 nan 0.000 0.409 443 V N 0.737 120.656 119.914 0.008 0.000 2.358 443 V HA -0.274 3.847 4.120 0.001 0.000 0.246 443 V C 2.635 178.734 176.094 0.009 0.000 1.047 443 V CA 1.878 64.183 62.300 0.008 0.000 1.035 443 V CB -0.832 30.996 31.823 0.008 0.000 0.658 443 V HN 0.419 nan 8.190 nan 0.000 0.452 444 R N 0.221 120.726 120.500 0.009 0.000 2.096 444 R HA -0.281 4.059 4.340 0.001 0.000 0.240 444 R C 2.460 178.767 176.300 0.011 0.000 1.139 444 R CA 2.341 58.447 56.100 0.010 0.000 0.952 444 R CB -0.235 30.071 30.300 0.010 0.000 0.854 444 R HN 0.390 nan 8.270 nan 0.000 0.436 445 R N 0.478 120.984 120.500 0.010 0.000 2.057 445 R HA 0.026 4.366 4.340 0.001 0.000 0.229 445 R C 2.055 178.361 176.300 0.010 0.000 1.136 445 R CA 1.994 58.100 56.100 0.010 0.000 0.952 445 R CB -0.994 29.311 30.300 0.009 0.000 0.848 445 R HN 0.299 nan 8.270 nan 0.000 0.430 446 A N 1.133 123.958 122.820 0.009 0.000 1.927 446 A HA -0.191 4.129 4.320 0.001 0.000 0.220 446 A C 2.289 179.878 177.584 0.009 0.000 1.185 446 A CA 1.947 53.989 52.037 0.008 0.000 0.639 446 A CB -0.994 18.011 19.000 0.008 0.000 0.820 446 A HN 0.417 nan 8.150 nan 0.000 0.451 447 L N -0.818 120.411 121.223 0.009 0.000 2.351 447 L HA -0.253 4.087 4.340 0.001 0.000 0.220 447 L C 2.353 179.229 176.870 0.010 0.000 1.127 447 L CA 1.591 56.437 54.840 0.010 0.000 0.786 447 L CB -0.527 41.539 42.059 0.011 0.000 0.914 447 L HN 0.551 nan 8.230 nan 0.000 0.443 448 E N -1.023 119.184 120.200 0.011 0.000 2.190 448 E HA -0.127 4.224 4.350 0.001 0.000 0.191 448 E C 1.901 178.506 176.600 0.009 0.000 0.978 448 E CA -0.015 56.392 56.400 0.011 0.000 0.839 448 E CB 0.109 29.817 29.700 0.012 0.000 0.787 448 E HN 0.299 nan 8.360 nan 0.000 0.473 449 E N 0.746 120.951 120.200 0.009 0.000 2.086 449 E HA -0.192 4.158 4.350 0.001 0.000 0.205 449 E C -0.680 175.925 176.600 0.008 0.000 1.027 449 E CA 1.614 58.019 56.400 0.008 0.000 0.830 449 E CB -1.549 28.156 29.700 0.008 0.000 0.751 449 E HN 0.230 nan 8.360 nan 0.000 0.456 450 P HA -0.161 nan 4.420 nan 0.000 0.213 450 P C 1.313 178.615 177.300 0.003 0.000 1.170 450 P CA 2.431 65.533 63.100 0.003 0.000 0.902 450 P CB -0.231 31.469 31.700 0.000 0.000 0.789 451 A N -0.225 122.596 122.820 0.002 0.000 1.873 451 A HA -0.277 4.043 4.320 0.001 0.000 0.218 451 A C 2.282 179.871 177.584 0.008 0.000 1.193 451 A CA 1.847 53.885 52.037 0.001 0.000 0.629 451 A CB -1.251 17.750 19.000 0.001 0.000 0.826 451 A HN 0.023 nan 8.150 nan 0.000 0.447 452 R N -1.201 119.304 120.500 0.008 0.000 2.113 452 R HA -0.174 4.166 4.340 0.001 0.000 0.231 452 R C 2.461 178.776 176.300 0.024 0.000 1.129 452 R CA 1.682 57.789 56.100 0.013 0.000 0.915 452 R CB -0.511 29.797 30.300 0.012 0.000 0.837 452 R HN 0.530 nan 8.270 nan 0.000 0.430 453 Q N 0.477 120.290 119.800 0.021 0.000 2.197 453 Q HA -0.171 4.170 4.340 0.001 0.000 0.207 453 Q C 2.145 178.164 176.000 0.032 0.000 0.984 453 Q CA 1.437 57.255 55.803 0.025 0.000 0.869 453 Q CB -0.285 28.462 28.738 0.016 0.000 0.906 453 Q HN 0.467 nan 8.270 nan 0.000 0.426 454 I N 0.005 120.591 120.570 0.026 0.000 2.113 454 I HA -0.285 3.886 4.170 0.001 0.000 0.238 454 I C 2.348 178.500 176.117 0.059 0.000 1.070 454 I CA 1.120 62.434 61.300 0.024 0.000 1.332 454 I CB -0.539 37.461 38.000 0.001 0.000 1.044 454 I HN 0.087 nan 8.210 nan 0.000 0.402 455 A N 0.308 123.176 122.820 0.081 0.000 1.883 455 A HA -0.296 4.025 4.320 0.001 0.000 0.217 455 A C 2.173 179.874 177.584 0.196 0.000 1.186 455 A CA 2.209 54.331 52.037 0.143 0.000 0.624 455 A CB -0.684 18.343 19.000 0.045 0.000 0.822 455 A HN 0.421 nan 8.150 nan 0.000 0.444 456 E N 0.608 120.879 120.200 0.119 0.000 2.033 456 E HA -0.202 4.149 4.350 0.001 0.000 0.199 456 E C 1.757 178.422 176.600 0.108 0.000 1.011 456 E CA 2.027 58.490 56.400 0.105 0.000 0.815 456 E CB -0.544 29.191 29.700 0.058 0.000 0.755 456 E HN 0.762 nan 8.360 nan 0.000 0.451 457 N N -0.602 118.147 118.700 0.082 0.000 2.348 457 N HA -0.173 4.567 4.740 0.001 0.000 0.185 457 N C 1.345 176.913 175.510 0.096 0.000 1.019 457 N CA 0.568 53.658 53.050 0.067 0.000 0.880 457 N CB -0.101 38.412 38.487 0.043 0.000 0.965 457 N HN 0.200 nan 8.380 nan 0.000 0.437 458 A N 0.460 123.380 122.820 0.167 0.000 2.123 458 A HA 0.305 4.625 4.320 0.001 0.000 0.214 458 A C 1.474 179.248 177.584 0.317 0.000 1.152 458 A CA 0.849 53.039 52.037 0.256 0.000 0.728 458 A CB 0.057 19.240 19.000 0.305 0.000 0.814 458 A HN 0.302 nan 8.150 nan 0.000 0.464 459 G N -2.242 106.696 108.800 0.230 0.000 2.226 459 G HA2 -0.156 3.804 3.960 0.001 0.000 0.176 459 G HA3 -0.156 3.804 3.960 0.001 0.000 0.176 459 G C -0.337 174.450 174.900 -0.188 0.000 1.042 459 G CA 0.053 45.155 45.100 0.003 0.000 0.732 459 G HN 0.389 nan 8.290 nan 0.000 0.494 460 Y N -0.761 119.562 120.300 0.038 0.000 2.693 460 Y HA 0.715 5.265 4.550 0.000 0.000 0.331 460 Y C 0.228 176.113 175.900 -0.025 0.000 1.092 460 Y CA -1.440 56.662 58.100 0.004 0.000 1.131 460 Y CB 0.928 39.376 38.460 -0.020 0.000 1.318 460 Y HN -0.029 nan 8.280 nan 0.000 0.510 461 E N 0.731 121.005 120.200 0.124 0.000 2.044 461 E HA 0.201 4.551 4.350 0.001 0.000 0.282 461 E C 0.848 177.462 176.600 0.024 0.000 1.031 461 E CA -0.023 56.407 56.400 0.049 0.000 0.824 461 E CB 1.127 30.843 29.700 0.025 0.000 1.076 461 E HN 0.917 nan 8.360 nan 0.000 0.395 462 G N 3.037 111.853 108.800 0.026 0.000 2.672 462 G HA2 -0.373 3.588 3.960 0.001 0.000 0.218 462 G HA3 -0.373 3.588 3.960 0.001 0.000 0.218 462 G C 1.531 176.431 174.900 -0.001 0.000 1.238 462 G CA 1.233 46.339 45.100 0.010 0.000 0.791 462 G HN 0.506 nan 8.290 nan 0.000 0.606 463 S N -0.038 115.665 115.700 0.006 0.000 2.374 463 S HA -0.169 4.301 4.470 0.001 0.000 0.227 463 S C 2.458 177.061 174.600 0.004 0.000 1.037 463 S CA 1.350 59.553 58.200 0.006 0.000 1.024 463 S CB -0.515 62.689 63.200 0.007 0.000 0.861 463 S HN 0.212 nan 8.310 nan 0.000 0.456 464 V N 2.203 122.118 119.914 0.001 0.000 2.220 464 V HA -0.221 3.899 4.120 0.001 0.000 0.246 464 V C 2.142 178.240 176.094 0.007 0.000 1.049 464 V CA 1.942 64.243 62.300 0.001 0.000 1.003 464 V CB -0.685 31.141 31.823 0.004 0.000 0.634 464 V HN 0.446 nan 8.190 nan 0.000 0.444 465 I N -0.366 120.188 120.570 -0.026 0.000 2.163 465 I HA -0.248 3.922 4.170 0.001 0.000 0.243 465 I C 2.391 178.546 176.117 0.063 0.000 1.085 465 I CA 1.442 62.730 61.300 -0.020 0.000 1.347 465 I CB -0.520 37.248 38.000 -0.387 0.000 1.044 465 I HN 0.155 nan 8.210 nan 0.000 0.408 466 V N 0.403 120.326 119.914 0.014 0.000 2.380 466 V HA -0.301 3.819 4.120 0.001 0.000 0.251 466 V C 2.534 178.664 176.094 0.061 0.000 1.063 466 V CA 1.664 63.986 62.300 0.036 0.000 1.055 466 V CB -0.677 31.158 31.823 0.019 0.000 0.657 466 V HN 0.467 nan 8.190 nan 0.000 0.455 467 Q N -0.420 119.408 119.800 0.047 0.000 2.046 467 Q HA -0.229 4.112 4.340 0.001 0.000 0.200 467 Q C 2.259 178.292 176.000 0.053 0.000 0.975 467 Q CA 1.809 57.636 55.803 0.039 0.000 0.836 467 Q CB -0.446 28.302 28.738 0.016 0.000 0.896 467 Q HN 0.743 nan 8.270 nan 0.000 0.428 468 Q N 0.016 119.845 119.800 0.049 0.000 2.170 468 Q HA -0.095 4.245 4.340 0.001 0.000 0.203 468 Q C 2.049 178.163 176.000 0.190 0.000 0.976 468 Q CA 0.737 56.539 55.803 -0.001 0.000 0.858 468 Q CB 0.036 28.577 28.738 -0.328 0.000 0.907 468 Q HN 0.353 nan 8.270 nan 0.000 0.433 469 I N 0.129 120.866 120.570 0.279 0.000 2.133 469 I HA -0.296 3.874 4.170 0.001 0.000 0.238 469 I C 2.016 178.278 176.117 0.241 0.000 1.074 469 I CA 0.966 62.439 61.300 0.288 0.000 1.342 469 I CB -0.215 37.882 38.000 0.161 0.000 1.053 469 I HN 0.248 nan 8.210 nan 0.000 0.404 470 L N 0.584 121.893 121.223 0.144 0.000 2.353 470 L HA -0.185 4.155 4.340 0.001 0.000 0.220 470 L C 2.618 179.543 176.870 0.091 0.000 1.133 470 L CA 0.765 55.666 54.840 0.102 0.000 0.798 470 L CB -0.615 41.483 42.059 0.065 0.000 0.922 470 L HN 0.262 nan 8.230 nan 0.000 0.445 471 A N -0.183 122.697 122.820 0.100 0.000 1.825 471 A HA -0.175 4.145 4.320 0.001 0.000 0.214 471 A C 1.332 178.941 177.584 0.043 0.000 1.206 471 A CA 0.581 52.651 52.037 0.055 0.000 0.609 471 A CB -0.380 18.638 19.000 0.030 0.000 0.851 471 A HN 0.329 nan 8.150 nan 0.000 0.445 472 E N 1.112 121.348 120.200 0.060 0.000 2.081 472 E HA 0.175 4.525 4.350 0.001 0.000 0.270 472 E C 0.108 176.723 176.600 0.024 0.000 1.180 472 E CA 0.428 56.795 56.400 -0.055 0.000 0.926 472 E CB 0.148 29.623 29.700 -0.375 0.000 1.035 472 E HN 0.477 nan 8.360 nan 0.000 0.418 473 T N 1.010 115.568 114.554 0.006 0.000 3.243 473 T HA 0.206 4.556 4.350 0.001 0.000 0.264 473 T C 0.787 175.491 174.700 0.008 0.000 1.000 473 T CA -0.435 61.681 62.100 0.027 0.000 0.901 473 T CB 0.229 69.111 68.868 0.024 0.000 1.083 473 T HN 0.275 nan 8.240 nan 0.000 0.559 474 K N 1.560 121.949 120.400 -0.018 0.000 2.044 474 K HA 0.096 4.417 4.320 0.001 0.000 0.204 474 K C 0.724 177.325 176.600 0.001 0.000 1.045 474 K CA 0.562 56.837 56.287 -0.020 0.000 0.951 474 K CB -0.045 32.425 32.500 -0.049 0.000 0.738 474 K HN 0.305 nan 8.250 nan 0.000 0.443 475 N N 1.421 120.127 118.700 0.010 0.000 2.518 475 N HA 0.110 4.850 4.740 0.001 0.000 0.254 475 N C -2.120 173.450 175.510 0.099 0.000 0.979 475 N CA -2.296 50.782 53.050 0.046 0.000 0.930 475 N CB 1.436 39.950 38.487 0.044 0.000 1.152 475 N HN -0.187 nan 8.380 nan 0.000 0.505 476 P HA -0.172 nan 4.420 nan 0.000 0.220 476 P C 0.495 177.859 177.300 0.107 0.000 1.144 476 P CA 1.014 64.169 63.100 0.092 0.000 0.800 476 P CB 0.344 32.079 31.700 0.058 0.000 0.772 477 R N -1.870 118.692 120.500 0.104 0.000 2.339 477 R HA -0.040 4.300 4.340 0.001 0.000 0.199 477 R C 0.669 177.056 176.300 0.145 0.000 1.018 477 R CA -0.085 56.071 56.100 0.094 0.000 1.036 477 R CB -0.658 29.686 30.300 0.073 0.000 0.899 477 R HN 0.229 nan 8.270 nan 0.000 0.473 478 Y N 0.867 121.198 120.300 0.052 0.000 2.496 478 Y HA 0.311 4.862 4.550 0.001 0.000 0.334 478 Y C 0.472 176.437 175.900 0.108 0.000 1.080 478 Y CA -0.006 58.147 58.100 0.088 0.000 1.355 478 Y CB 0.551 39.071 38.460 0.100 0.000 1.193 478 Y HN 0.037 nan 8.280 nan 0.000 0.523 479 G N 4.621 113.200 108.800 -0.370 0.000 2.663 479 G HA2 0.366 4.326 3.960 0.001 0.000 0.299 479 G HA3 0.366 4.326 3.960 0.001 0.000 0.299 479 G C -2.270 172.353 174.900 -0.460 0.000 1.372 479 G CA -0.932 43.968 45.100 -0.334 0.000 0.781 479 G HN 0.464 nan 8.290 nan 0.000 0.491 480 F N 1.528 121.084 119.950 -0.657 0.000 2.415 480 F HA 0.543 5.070 4.527 0.000 0.000 0.348 480 F C 0.138 175.611 175.800 -0.545 0.000 1.119 480 F CA -1.705 55.743 58.000 -0.920 0.000 1.069 480 F CB 1.737 40.086 39.000 -1.084 0.000 1.124 480 F HN 0.302 nan 8.300 nan 0.000 0.472 481 N N 5.135 123.166 118.700 -1.115 0.000 2.719 481 N HA 0.156 4.896 4.740 0.001 0.000 0.243 481 N C 0.707 175.469 175.510 -1.247 0.000 1.104 481 N CA 0.373 52.907 53.050 -0.860 0.000 0.981 481 N CB 0.861 39.029 38.487 -0.533 0.000 1.290 481 N HN 0.800 nan 8.380 nan 0.000 0.513 482 A N 2.569 124.744 122.820 -1.074 0.000 2.245 482 A HA -0.086 4.235 4.320 0.001 0.000 0.217 482 A C 1.837 179.152 177.584 -0.448 0.000 1.171 482 A CA 1.710 53.269 52.037 -0.798 0.000 0.688 482 A CB -0.227 18.593 19.000 -0.299 0.000 0.781 482 A HN 0.657 nan 8.150 nan 0.000 0.479 483 A N -1.112 121.472 122.820 -0.394 0.000 2.014 483 A HA 0.141 4.462 4.320 0.001 0.000 0.210 483 A C 2.209 179.695 177.584 -0.164 0.000 1.188 483 A CA 1.719 53.633 52.037 -0.206 0.000 0.731 483 A CB -0.444 18.458 19.000 -0.165 0.000 0.858 483 A HN 0.723 nan 8.150 nan 0.000 0.464 484 T N -5.124 109.286 114.554 -0.239 0.000 3.014 484 T HA 0.406 4.756 4.350 0.001 0.000 0.250 484 T C 1.289 175.924 174.700 -0.109 0.000 1.060 484 T CA 1.175 63.191 62.100 -0.140 0.000 1.040 484 T CB 0.186 68.975 68.868 -0.131 0.000 0.971 484 T HN 1.695 nan 8.240 nan 0.000 0.497 485 G N 1.315 109.928 108.800 -0.311 0.000 2.182 485 G HA2 -0.161 3.799 3.960 0.001 0.000 0.248 485 G HA3 -0.161 3.799 3.960 0.001 0.000 0.248 485 G C -0.449 174.491 174.900 0.066 0.000 1.042 485 G CA 0.016 45.044 45.100 -0.120 0.000 0.775 485 G HN 0.690 nan 8.290 nan 0.000 0.501 486 E N -1.113 118.970 120.200 -0.196 0.000 2.314 486 E HA 0.559 4.909 4.350 0.001 0.000 0.272 486 E C -0.774 175.817 176.600 -0.015 0.000 0.884 486 E CA -1.052 55.392 56.400 0.074 0.000 0.753 486 E CB 1.414 31.147 29.700 0.056 0.000 1.213 486 E HN 0.052 nan 8.360 nan 0.000 0.432 487 F N 1.842 121.872 119.950 0.133 0.000 2.456 487 F HA 0.286 4.813 4.527 0.001 0.000 0.358 487 F C 0.654 176.481 175.800 0.046 0.000 1.095 487 F CA -0.218 57.801 58.000 0.032 0.000 1.216 487 F CB 0.867 39.902 39.000 0.057 0.000 1.125 487 F HN 0.199 nan 8.300 nan 0.000 0.549 488 V N -0.705 119.242 119.914 0.054 0.000 3.203 488 V HA 0.454 4.575 4.120 0.001 0.000 0.305 488 V C -1.145 175.018 176.094 0.115 0.000 1.361 488 V CA -1.161 61.209 62.300 0.117 0.000 1.066 488 V CB 1.818 33.648 31.823 0.011 0.000 1.085 488 V HN 0.561 nan 8.190 nan 0.000 0.456 489 D N 1.681 122.156 120.400 0.125 0.000 2.374 489 D HA 0.192 4.832 4.640 0.001 0.000 0.240 489 D C 1.248 177.567 176.300 0.031 0.000 1.229 489 D CA -0.367 53.699 54.000 0.109 0.000 0.895 489 D CB 1.294 42.150 40.800 0.093 0.000 1.046 489 D HN 0.535 nan 8.370 nan 0.000 0.498 490 M N 3.108 122.709 119.600 0.002 0.000 2.089 490 M HA -0.195 4.285 4.480 0.001 0.000 0.257 490 M C 2.033 178.319 176.300 -0.023 0.000 1.071 490 M CA 1.134 56.412 55.300 -0.037 0.000 1.096 490 M CB -0.961 31.612 32.600 -0.046 0.000 1.330 490 M HN 0.311 nan 8.290 nan 0.000 0.403 491 V N -0.009 119.904 119.914 -0.002 0.000 2.270 491 V HA -0.246 3.875 4.120 0.001 0.000 0.245 491 V C 2.404 178.497 176.094 -0.002 0.000 1.043 491 V CA 2.109 64.408 62.300 -0.002 0.000 1.014 491 V CB -0.815 31.013 31.823 0.009 0.000 0.645 491 V HN 0.524 nan 8.190 nan 0.000 0.447 492 E N 0.314 120.519 120.200 0.007 0.000 2.153 492 E HA -0.213 4.137 4.350 0.001 0.000 0.194 492 E C 2.040 178.637 176.600 -0.004 0.000 0.988 492 E CA 1.280 57.684 56.400 0.007 0.000 0.811 492 E CB -0.159 29.552 29.700 0.019 0.000 0.746 492 E HN 0.580 nan 8.360 nan 0.000 0.466 493 A N -0.012 122.800 122.820 -0.014 0.000 2.167 493 A HA 0.166 4.486 4.320 0.001 0.000 0.214 493 A C 1.766 179.326 177.584 -0.040 0.000 1.151 493 A CA 1.057 53.074 52.037 -0.032 0.000 0.735 493 A CB -0.363 18.604 19.000 -0.055 0.000 0.802 493 A HN 0.485 nan 8.150 nan 0.000 0.467 494 G N -1.057 107.724 108.800 -0.033 0.000 2.132 494 G HA2 -0.205 3.755 3.960 0.001 0.000 0.234 494 G HA3 -0.205 3.755 3.960 0.001 0.000 0.234 494 G C 0.095 174.967 174.900 -0.046 0.000 0.989 494 G CA 0.193 45.273 45.100 -0.034 0.000 0.676 494 G HN 0.530 nan 8.290 nan 0.000 0.522 495 I N 1.694 122.231 120.570 -0.055 0.000 2.317 495 I HA 0.424 4.595 4.170 0.001 0.000 0.286 495 I C 0.652 176.738 176.117 -0.052 0.000 1.119 495 I CA -0.870 60.389 61.300 -0.068 0.000 1.228 495 I CB 0.623 38.563 38.000 -0.099 0.000 1.476 495 I HN 0.152 nan 8.210 nan 0.000 0.514 496 V N 0.666 120.555 119.914 -0.041 0.000 2.960 496 V HA 0.690 4.811 4.120 0.001 0.000 0.315 496 V C -0.838 175.239 176.094 -0.028 0.000 1.087 496 V CA -0.671 61.611 62.300 -0.030 0.000 0.982 496 V CB 2.654 34.465 31.823 -0.021 0.000 1.039 496 V HN 0.247 nan 8.190 nan 0.000 0.437 497 D N 1.972 122.359 120.400 -0.022 0.000 2.738 497 D HA 0.487 5.127 4.640 0.001 0.000 0.237 497 D C -3.002 173.290 176.300 -0.013 0.000 1.123 497 D CA -1.330 52.658 54.000 -0.019 0.000 0.856 497 D CB 2.635 43.423 40.800 -0.019 0.000 1.552 497 D HN 0.490 nan 8.370 nan 0.000 0.480 498 P HA 0.041 nan 4.420 nan 0.000 0.265 498 P C 0.477 177.774 177.300 -0.005 0.000 1.222 498 P CA -0.062 63.034 63.100 -0.007 0.000 0.767 498 P CB 0.719 32.415 31.700 -0.008 0.000 0.801 499 A N 5.002 127.821 122.820 -0.003 0.000 2.042 499 A HA -0.252 4.068 4.320 0.001 0.000 0.222 499 A C 2.229 179.813 177.584 -0.000 0.000 1.167 499 A CA 1.776 53.813 52.037 -0.001 0.000 0.649 499 A CB -0.979 18.022 19.000 0.001 0.000 0.809 499 A HN 0.532 nan 8.150 nan 0.000 0.457 500 K N -0.031 120.368 120.400 -0.001 0.000 2.026 500 K HA -0.135 4.186 4.320 0.001 0.000 0.208 500 K C 2.013 178.613 176.600 0.000 0.000 1.048 500 K CA 1.938 58.225 56.287 0.000 0.000 0.929 500 K CB -0.446 32.054 32.500 0.000 0.000 0.713 500 K HN 0.467 nan 8.250 nan 0.000 0.439 501 V N -0.935 118.979 119.914 -0.001 0.000 2.295 501 V HA -0.213 3.908 4.120 0.001 0.000 0.246 501 V C 2.027 178.121 176.094 -0.000 0.000 1.049 501 V CA 2.295 64.595 62.300 -0.001 0.000 1.024 501 V CB -1.375 30.446 31.823 -0.003 0.000 0.648 501 V HN 0.265 nan 8.190 nan 0.000 0.447 502 T N 0.562 115.116 114.554 -0.001 0.000 2.580 502 T HA -0.279 4.071 4.350 0.001 0.000 0.265 502 T C 2.006 176.707 174.700 0.002 0.000 1.063 502 T CA 2.717 64.817 62.100 -0.000 0.000 1.170 502 T CB -0.476 68.391 68.868 -0.001 0.000 0.863 502 T HN 0.616 nan 8.240 nan 0.000 0.418 503 R N 0.714 121.215 120.500 0.002 0.000 2.113 503 R HA -0.156 4.184 4.340 0.001 0.000 0.244 503 R C 2.569 178.871 176.300 0.004 0.000 1.142 503 R CA 2.079 58.181 56.100 0.003 0.000 0.953 503 R CB -0.478 29.824 30.300 0.004 0.000 0.860 503 R HN 0.299 nan 8.270 nan 0.000 0.438 504 S N 0.557 116.259 115.700 0.003 0.000 2.343 504 S HA -0.155 4.315 4.470 0.001 0.000 0.219 504 S C 2.090 176.693 174.600 0.005 0.000 1.033 504 S CA 1.201 59.403 58.200 0.004 0.000 1.014 504 S CB -0.528 62.674 63.200 0.004 0.000 0.915 504 S HN 0.602 nan 8.310 nan 0.000 0.435 505 A N 1.873 124.695 122.820 0.004 0.000 1.881 505 A HA -0.200 4.120 4.320 0.001 0.000 0.219 505 A C 2.178 179.765 177.584 0.005 0.000 1.215 505 A CA 2.082 54.122 52.037 0.005 0.000 0.648 505 A CB -1.085 17.917 19.000 0.004 0.000 0.832 505 A HN 0.430 nan 8.150 nan 0.000 0.455 506 L N -0.222 121.004 121.223 0.004 0.000 2.017 506 L HA -0.209 4.131 4.340 0.001 0.000 0.208 506 L C 2.443 179.316 176.870 0.005 0.000 1.073 506 L CA 2.547 57.390 54.840 0.005 0.000 0.745 506 L CB -1.057 41.005 42.059 0.005 0.000 0.894 506 L HN 0.562 nan 8.230 nan 0.000 0.432 507 Q N -0.616 119.187 119.800 0.005 0.000 2.124 507 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 507 Q C 1.941 177.944 176.000 0.005 0.000 0.977 507 Q CA 1.623 57.429 55.803 0.005 0.000 0.850 507 Q CB -0.250 28.491 28.738 0.005 0.000 0.901 507 Q HN 0.620 nan 8.270 nan 0.000 0.429 508 N N 0.478 119.181 118.700 0.005 0.000 2.171 508 N HA -0.079 4.661 4.740 0.001 0.000 0.184 508 N C 1.695 177.208 175.510 0.005 0.000 1.021 508 N CA 1.195 54.248 53.050 0.005 0.000 0.854 508 N CB -0.257 38.233 38.487 0.006 0.000 0.994 508 N HN 0.200 nan 8.380 nan 0.000 0.426 509 A N 1.375 124.198 122.820 0.005 0.000 1.858 509 A HA -0.010 4.310 4.320 0.001 0.000 0.216 509 A C 2.359 179.946 177.584 0.005 0.000 1.190 509 A CA 2.102 54.142 52.037 0.005 0.000 0.617 509 A CB -0.962 18.041 19.000 0.005 0.000 0.827 509 A HN 0.308 nan 8.150 nan 0.000 0.443 510 A N -1.009 121.814 122.820 0.005 0.000 2.019 510 A HA -0.060 4.260 4.320 0.001 0.000 0.219 510 A C 2.412 179.999 177.584 0.005 0.000 1.164 510 A CA 2.081 54.121 52.037 0.005 0.000 0.644 510 A CB -0.791 18.212 19.000 0.006 0.000 0.805 510 A HN 0.559 nan 8.150 nan 0.000 0.449 511 S N -0.418 115.284 115.700 0.005 0.000 2.345 511 S HA -0.097 4.373 4.470 0.001 0.000 0.220 511 S C 1.864 176.466 174.600 0.004 0.000 1.031 511 S CA 1.451 59.654 58.200 0.004 0.000 0.996 511 S CB -0.312 62.891 63.200 0.004 0.000 0.882 511 S HN 0.409 nan 8.310 nan 0.000 0.445 512 I N 1.621 122.193 120.570 0.004 0.000 2.500 512 I HA 0.014 4.184 4.170 0.001 0.000 0.252 512 I C 2.647 178.766 176.117 0.003 0.000 1.142 512 I CA 1.153 62.455 61.300 0.003 0.000 1.451 512 I CB -2.094 35.908 38.000 0.003 0.000 1.093 512 I HN 0.427 nan 8.210 nan 0.000 0.430 513 G N 1.326 110.128 108.800 0.004 0.000 2.545 513 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 513 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 513 G C 1.887 176.790 174.900 0.004 0.000 1.218 513 G CA 1.377 46.480 45.100 0.004 0.000 0.787 513 G HN 0.454 nan 8.290 nan 0.000 0.571 514 A N 0.428 123.251 122.820 0.005 0.000 1.927 514 A HA -0.080 4.240 4.320 0.001 0.000 0.220 514 A C 2.437 180.024 177.584 0.004 0.000 1.185 514 A CA 1.722 53.762 52.037 0.005 0.000 0.639 514 A CB -0.515 18.488 19.000 0.005 0.000 0.820 514 A HN 0.318 nan 8.150 nan 0.000 0.451 515 L N -0.285 120.940 121.223 0.003 0.000 1.971 515 L HA -0.233 4.107 4.340 0.001 0.000 0.215 515 L C 2.606 179.477 176.870 0.001 0.000 1.072 515 L CA 2.188 57.030 54.840 0.002 0.000 0.758 515 L CB -1.327 40.733 42.059 0.001 0.000 0.889 515 L HN 0.468 nan 8.230 nan 0.000 0.433 516 I N -0.209 120.362 120.570 0.001 0.000 2.145 516 I HA -0.387 3.783 4.170 0.001 0.000 0.244 516 I C 2.469 178.588 176.117 0.003 0.000 1.075 516 I CA 1.271 62.572 61.300 0.001 0.000 1.332 516 I CB -0.413 37.589 38.000 0.002 0.000 1.033 516 I HN 0.274 nan 8.210 nan 0.000 0.410 517 L N 0.448 121.674 121.223 0.005 0.000 2.351 517 L HA -0.191 4.149 4.340 0.001 0.000 0.220 517 L C 2.233 179.108 176.870 0.008 0.000 1.127 517 L CA 1.740 56.585 54.840 0.007 0.000 0.786 517 L CB -1.283 40.781 42.059 0.008 0.000 0.914 517 L HN 0.499 nan 8.230 nan 0.000 0.443 518 T N -5.154 109.404 114.554 0.006 0.000 3.163 518 T HA 0.084 4.434 4.350 0.001 0.000 0.252 518 T C 0.713 175.416 174.700 0.006 0.000 1.056 518 T CA -0.329 61.775 62.100 0.007 0.000 0.947 518 T CB -0.360 68.511 68.868 0.006 0.000 1.016 518 T HN 0.033 nan 8.240 nan 0.000 0.554 519 T N 2.420 116.976 114.554 0.003 0.000 2.907 519 T HA 0.365 4.715 4.350 0.001 0.000 0.298 519 T C 0.608 175.312 174.700 0.007 0.000 1.017 519 T CA -0.267 61.830 62.100 -0.004 0.000 1.118 519 T CB 1.493 70.356 68.868 -0.009 0.000 0.948 519 T HN 0.327 nan 8.240 nan 0.000 0.531 520 E N 0.119 120.320 120.200 0.001 0.000 2.679 520 E HA 0.469 4.819 4.350 0.001 0.000 0.221 520 E C -0.333 176.274 176.600 0.011 0.000 0.928 520 E CA -0.040 56.384 56.400 0.039 0.000 1.296 520 E CB 0.662 30.400 29.700 0.063 0.000 1.235 520 E HN 0.800 nan 8.360 nan 0.000 0.622 521 A N -0.635 122.124 122.820 -0.101 0.000 2.601 521 A HA 0.740 5.060 4.320 0.001 0.000 0.291 521 A C -1.619 175.822 177.584 -0.238 0.000 1.075 521 A CA -0.421 51.426 52.037 -0.316 0.000 0.671 521 A CB 1.605 20.300 19.000 -0.509 0.000 1.277 521 A HN 0.079 nan 8.150 nan 0.000 0.417 522 V N 0.162 119.900 119.914 -0.293 0.000 2.891 522 V HA 0.519 4.640 4.120 0.001 0.000 0.304 522 V C -1.109 174.874 176.094 -0.186 0.000 1.171 522 V CA -0.509 61.687 62.300 -0.174 0.000 0.943 522 V CB 2.089 33.849 31.823 -0.107 0.000 1.037 522 V HN 0.928 nan 8.190 nan 0.000 0.427 523 V N 3.914 123.749 119.914 -0.132 0.000 2.304 523 V HA 0.863 4.984 4.120 0.001 0.000 0.278 523 V C 0.335 176.377 176.094 -0.088 0.000 1.018 523 V CA -0.076 62.155 62.300 -0.115 0.000 0.814 523 V CB 1.108 32.871 31.823 -0.099 0.000 1.021 523 V HN 1.045 nan 8.190 nan 0.000 0.440 524 A N 3.848 126.612 122.820 -0.093 0.000 2.389 524 A HA 0.885 5.205 4.320 0.001 0.000 0.293 524 A C -0.303 177.165 177.584 -0.194 0.000 1.186 524 A CA -0.738 51.231 52.037 -0.112 0.000 0.828 524 A CB 0.986 19.948 19.000 -0.062 0.000 1.369 524 A HN 0.555 nan 8.150 nan 0.000 0.446 525 E N 1.188 121.158 120.200 -0.384 0.000 2.316 525 E HA 0.104 4.454 4.350 0.001 0.000 0.275 525 E C -0.428 175.896 176.600 -0.460 0.000 1.029 525 E CA -0.078 56.029 56.400 -0.488 0.000 0.871 525 E CB 0.858 30.133 29.700 -0.709 0.000 1.022 525 E HN 0.477 nan 8.360 nan 0.000 0.418 526 K N 5.208 125.479 120.400 -0.215 0.000 2.430 526 K HA 0.030 4.350 4.320 0.001 0.000 0.280 526 K C -2.031 174.533 176.600 -0.059 0.000 1.063 526 K CA -1.127 55.099 56.287 -0.102 0.000 1.071 526 K CB 0.240 32.709 32.500 -0.051 0.000 0.899 526 K HN 0.199 nan 8.250 nan 0.000 0.473 527 P HA -0.127 nan 4.420 nan 0.000 0.263 527 P C -1.087 176.273 177.300 0.100 0.000 1.168 527 P CA 0.376 63.570 63.100 0.157 0.000 0.759 527 P CB 0.445 32.216 31.700 0.118 0.000 0.782 528 E N 2.535 122.812 120.200 0.128 0.000 1.800 528 E HA 0.020 4.370 4.350 0.001 0.000 0.262 528 E C 0.878 177.505 176.600 0.046 0.000 1.219 528 E CA 0.185 56.629 56.400 0.074 0.000 1.051 528 E CB -0.556 29.187 29.700 0.073 0.000 1.074 528 E HN 0.311 nan 8.360 nan 0.000 0.433 529 K N 0.000 120.422 120.400 0.036 0.000 2.780 529 K HA 0.000 4.320 4.320 0.001 0.000 0.191 529 K CA 0.000 56.302 56.287 0.025 0.000 0.838 529 K CB 0.000 32.511 32.500 0.019 0.000 1.064 529 K HN 0.000 nan 8.250 nan 0.000 0.543