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 2c7c_1_M DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 0.000 177.562 177.584 -0.037 0.000 1.274 3 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 3 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 4 K N 0.943 121.322 120.400 -0.035 0.000 2.208 4 K HA 0.611 4.932 4.320 0.000 0.000 0.247 4 K C -1.115 175.460 176.600 -0.042 0.000 0.953 4 K CA -0.600 55.652 56.287 -0.058 0.000 0.837 4 K CB 1.911 34.382 32.500 -0.048 0.000 1.131 4 K HN 0.792 nan 8.250 nan 0.000 0.431 5 D N 0.476 120.836 120.400 -0.067 0.000 2.253 5 D HA 0.453 5.094 4.640 0.000 0.000 0.249 5 D C -1.163 175.179 176.300 0.070 0.000 1.049 5 D CA -0.595 53.419 54.000 0.025 0.000 0.929 5 D CB 1.228 42.087 40.800 0.098 0.000 1.176 5 D HN 0.077 nan 8.370 nan 0.000 0.437 6 V N 3.065 123.034 119.914 0.093 0.000 2.655 6 V HA 0.406 4.526 4.120 0.000 0.000 0.301 6 V C -0.506 175.383 176.094 -0.343 0.000 1.082 6 V CA -0.807 61.453 62.300 -0.067 0.000 0.899 6 V CB 1.909 33.661 31.823 -0.119 0.000 1.014 6 V HN 0.488 nan 8.190 nan 0.000 0.429 7 K N 4.215 124.332 120.400 -0.471 0.000 2.498 7 K HA 0.742 5.062 4.320 0.000 0.000 0.254 7 K C -1.551 174.664 176.600 -0.641 0.000 0.933 7 K CA -0.557 55.322 56.287 -0.680 0.000 0.806 7 K CB 2.876 35.053 32.500 -0.538 0.000 1.301 7 K HN 0.446 nan 8.250 nan 0.000 0.432 8 F N -0.116 119.809 119.950 -0.041 0.000 2.572 8 F HA 0.528 5.056 4.527 0.000 0.000 0.342 8 F C 1.537 177.314 175.800 -0.039 0.000 1.064 8 F CA 0.087 58.073 58.000 -0.024 0.000 1.008 8 F CB 1.218 40.211 39.000 -0.011 0.000 1.303 8 F HN 0.815 nan 8.300 nan 0.000 0.492 9 G N 1.287 110.199 108.800 0.186 0.000 2.620 9 G HA2 -0.489 3.471 3.960 0.000 0.000 0.315 9 G HA3 -0.489 3.471 3.960 0.000 0.000 0.315 9 G C 1.017 175.942 174.900 0.042 0.000 1.179 9 G CA 1.133 46.292 45.100 0.100 0.000 0.971 9 G HN 0.787 nan 8.290 nan 0.000 0.544 10 N N 1.581 120.297 118.700 0.027 0.000 2.109 10 N HA -0.013 4.727 4.740 0.000 0.000 0.188 10 N C 1.834 177.324 175.510 -0.033 0.000 1.034 10 N CA 2.418 55.467 53.050 -0.002 0.000 0.846 10 N CB -0.594 37.893 38.487 -0.000 0.000 1.010 10 N HN 0.587 nan 8.380 nan 0.000 0.425 11 D N 0.241 120.609 120.400 -0.053 0.000 2.116 11 D HA -0.145 4.495 4.640 0.000 0.000 0.193 11 D C 1.889 178.077 176.300 -0.187 0.000 0.998 11 D CA 1.847 55.769 54.000 -0.129 0.000 0.836 11 D CB -0.564 40.141 40.800 -0.158 0.000 0.951 11 D HN 0.448 nan 8.370 nan 0.000 0.449 12 A N 0.693 123.423 122.820 -0.150 0.000 1.873 12 A HA -0.241 4.079 4.320 0.000 0.000 0.218 12 A C 2.161 179.700 177.584 -0.075 0.000 1.193 12 A CA 1.800 53.761 52.037 -0.128 0.000 0.629 12 A CB -0.590 18.385 19.000 -0.041 0.000 0.826 12 A HN 0.101 nan 8.150 nan 0.000 0.447 13 R N -0.931 119.545 120.500 -0.040 0.000 2.092 13 R HA -0.050 4.290 4.340 0.000 0.000 0.231 13 R C 2.004 178.285 176.300 -0.032 0.000 1.119 13 R CA 1.231 57.318 56.100 -0.021 0.000 0.970 13 R CB -0.465 29.831 30.300 -0.006 0.000 0.864 13 R HN 0.391 nan 8.270 nan 0.000 0.440 14 V N 1.520 121.402 119.914 -0.052 0.000 2.392 14 V HA -0.273 3.847 4.120 0.000 0.000 0.249 14 V C 2.015 178.074 176.094 -0.057 0.000 1.059 14 V CA 1.670 63.937 62.300 -0.054 0.000 1.051 14 V CB -0.303 31.480 31.823 -0.066 0.000 0.658 14 V HN 0.242 nan 8.190 nan 0.000 0.455 15 K N -0.521 119.827 120.400 -0.087 0.000 2.076 15 K HA 0.054 4.374 4.320 0.000 0.000 0.204 15 K C 2.056 178.656 176.600 0.001 0.000 1.051 15 K CA 1.220 57.476 56.287 -0.052 0.000 0.949 15 K CB -0.611 31.830 32.500 -0.099 0.000 0.726 15 K HN 0.396 nan 8.250 nan 0.000 0.443 16 M N 0.617 120.218 119.600 0.002 0.000 2.149 16 M HA -0.182 4.298 4.480 0.000 0.000 0.261 16 M C 2.138 178.445 176.300 0.012 0.000 1.064 16 M CA 1.165 56.476 55.300 0.018 0.000 1.102 16 M CB -0.481 32.130 32.600 0.018 0.000 1.369 16 M HN 0.029 nan 8.290 nan 0.000 0.408 17 L N 0.793 122.017 121.223 0.002 0.000 1.944 17 L HA -0.234 4.106 4.340 0.000 0.000 0.218 17 L C 2.475 179.348 176.870 0.005 0.000 1.075 17 L CA 2.030 56.871 54.840 0.002 0.000 0.767 17 L CB -0.677 41.379 42.059 -0.005 0.000 0.890 17 L HN 0.174 nan 8.230 nan 0.000 0.434 18 R N -0.610 119.892 120.500 0.003 0.000 2.105 18 R HA -0.142 4.198 4.340 0.000 0.000 0.239 18 R C 2.158 178.466 176.300 0.013 0.000 1.135 18 R CA 1.153 57.257 56.100 0.007 0.000 0.967 18 R CB -1.033 29.271 30.300 0.006 0.000 0.861 18 R HN 0.655 nan 8.270 nan 0.000 0.442 19 G N 0.480 109.291 108.800 0.019 0.000 2.440 19 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 19 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 19 G C 1.404 176.314 174.900 0.016 0.000 1.154 19 G CA 0.757 45.871 45.100 0.023 0.000 0.767 19 G HN 0.265 nan 8.290 nan 0.000 0.552 20 V N 0.956 120.879 119.914 0.015 0.000 2.379 20 V HA -0.130 3.990 4.120 0.000 0.000 0.245 20 V C 2.429 178.528 176.094 0.009 0.000 1.044 20 V CA 2.558 64.865 62.300 0.012 0.000 1.036 20 V CB -0.584 31.248 31.823 0.013 0.000 0.664 20 V HN 0.478 nan 8.190 nan 0.000 0.453 21 N N -0.371 118.334 118.700 0.008 0.000 2.084 21 N HA -0.150 4.590 4.740 0.000 0.000 0.190 21 N C 1.683 177.197 175.510 0.006 0.000 1.030 21 N CA 1.660 54.714 53.050 0.006 0.000 0.849 21 N CB -0.220 38.270 38.487 0.005 0.000 1.012 21 N HN 0.394 nan 8.380 nan 0.000 0.423 22 V N 1.495 121.413 119.914 0.006 0.000 2.427 22 V HA -0.135 3.985 4.120 0.000 0.000 0.248 22 V C 2.147 178.243 176.094 0.003 0.000 1.051 22 V CA 1.018 63.321 62.300 0.005 0.000 1.048 22 V CB -0.520 31.307 31.823 0.006 0.000 0.666 22 V HN 0.405 nan 8.190 nan 0.000 0.456 23 L N 0.698 121.923 121.223 0.004 0.000 2.027 23 L HA -0.100 4.240 4.340 0.000 0.000 0.206 23 L C 2.520 179.391 176.870 0.002 0.000 1.074 23 L CA 2.689 57.530 54.840 0.002 0.000 0.745 23 L CB -1.222 40.838 42.059 0.002 0.000 0.898 23 L HN 0.329 nan 8.230 nan 0.000 0.433 24 A N -0.333 122.489 122.820 0.004 0.000 1.873 24 A HA -0.217 4.103 4.320 0.000 0.000 0.215 24 A C 1.861 179.448 177.584 0.004 0.000 1.186 24 A CA 1.778 53.818 52.037 0.005 0.000 0.616 24 A CB -0.694 18.310 19.000 0.007 0.000 0.823 24 A HN 0.483 nan 8.150 nan 0.000 0.442 25 D N -0.242 120.161 120.400 0.004 0.000 2.264 25 D HA 0.098 4.738 4.640 0.000 0.000 0.208 25 D C 2.054 178.355 176.300 0.002 0.000 0.966 25 D CA 1.077 55.079 54.000 0.003 0.000 0.864 25 D CB -0.171 40.631 40.800 0.003 0.000 0.933 25 D HN 0.426 nan 8.370 nan 0.000 0.499 26 A N 0.275 123.096 122.820 0.001 0.000 1.826 26 A HA -0.100 4.220 4.320 0.000 0.000 0.214 26 A C 2.327 179.910 177.584 -0.000 0.000 1.212 26 A CA 1.084 53.121 52.037 -0.000 0.000 0.605 26 A CB -0.987 18.012 19.000 -0.002 0.000 0.861 26 A HN 0.154 nan 8.150 nan 0.000 0.447 27 V N 1.641 121.555 119.914 -0.001 0.000 2.626 27 V HA -0.230 3.890 4.120 0.000 0.000 0.252 27 V C 2.537 178.632 176.094 0.001 0.000 1.067 27 V CA 2.563 64.862 62.300 -0.001 0.000 1.081 27 V CB -0.755 31.067 31.823 -0.003 0.000 0.686 27 V HN 0.815 nan 8.190 nan 0.000 0.468 28 K N 0.586 120.987 120.400 0.003 0.000 2.280 28 K HA -0.123 4.198 4.320 0.000 0.000 0.202 28 K C 1.784 178.387 176.600 0.004 0.000 1.047 28 K CA 1.923 58.213 56.287 0.004 0.000 0.942 28 K CB -0.835 31.668 32.500 0.006 0.000 0.739 28 K HN 0.527 nan 8.250 nan 0.000 0.457 29 V N 0.373 120.289 119.914 0.003 0.000 2.970 29 V HA -0.119 4.002 4.120 0.000 0.000 0.260 29 V C 2.147 178.242 176.094 0.002 0.000 1.100 29 V CA 1.747 64.049 62.300 0.003 0.000 1.122 29 V CB -1.004 30.820 31.823 0.002 0.000 0.721 29 V HN 0.551 nan 8.190 nan 0.000 0.483 30 T N -2.574 111.980 114.554 0.001 0.000 3.148 30 T HA 0.087 4.437 4.350 0.000 0.000 0.253 30 T C 1.544 176.244 174.700 -0.001 0.000 1.134 30 T CA 1.019 63.119 62.100 -0.001 0.000 1.051 30 T CB 0.031 68.898 68.868 -0.002 0.000 0.959 30 T HN 0.425 nan 8.240 nan 0.000 0.525 31 L N 1.568 122.792 121.223 0.002 0.000 2.341 31 L HA 0.472 4.812 4.340 0.000 0.000 0.214 31 L C 1.260 178.131 176.870 0.002 0.000 1.115 31 L CA 0.308 55.150 54.840 0.003 0.000 0.820 31 L CB -0.630 41.433 42.059 0.006 0.000 0.944 31 L HN 0.397 nan 8.230 nan 0.000 0.452 32 G N -0.869 107.932 108.800 0.002 0.000 2.377 32 G HA2 0.405 4.365 3.960 0.000 0.000 0.299 32 G HA3 0.405 4.365 3.960 0.000 0.000 0.299 32 G C -1.819 173.076 174.900 -0.008 0.000 1.150 32 G CA -0.710 44.390 45.100 0.000 0.000 0.847 32 G HN 0.082 nan 8.290 nan 0.000 0.501 33 P HA -0.065 nan 4.420 nan 0.000 0.215 33 P C 0.809 178.096 177.300 -0.022 0.000 1.157 33 P CA 1.086 64.171 63.100 -0.025 0.000 0.863 33 P CB 0.358 32.033 31.700 -0.041 0.000 0.787 34 K N 0.693 121.080 120.400 -0.021 0.000 2.911 34 K HA 0.271 4.591 4.320 0.000 0.000 0.239 34 K C 1.170 177.767 176.600 -0.005 0.000 1.090 34 K CA -0.315 55.963 56.287 -0.014 0.000 1.225 34 K CB -0.176 32.315 32.500 -0.016 0.000 1.087 34 K HN 0.119 nan 8.250 nan 0.000 0.464 35 G N 0.946 109.743 108.800 -0.005 0.000 2.621 35 G HA2 0.173 4.133 3.960 0.000 0.000 0.271 35 G HA3 0.173 4.133 3.960 0.000 0.000 0.271 35 G C 0.111 175.011 174.900 -0.001 0.000 1.236 35 G CA -0.655 44.444 45.100 -0.001 0.000 0.958 35 G HN 0.137 nan 8.290 nan 0.000 0.512 36 R N -0.217 120.284 120.500 0.001 0.000 2.553 36 R HA 0.311 4.651 4.340 0.000 0.000 0.263 36 R C -0.127 176.173 176.300 -0.000 0.000 1.066 36 R CA -0.677 55.423 56.100 0.001 0.000 1.135 36 R CB 0.240 30.541 30.300 0.002 0.000 1.148 36 R HN 0.566 nan 8.270 nan 0.000 0.558 37 N N -0.207 118.492 118.700 -0.001 0.000 2.472 37 N HA 0.415 5.155 4.740 0.000 0.000 0.289 37 N C -0.674 174.835 175.510 -0.001 0.000 1.156 37 N CA -0.543 52.506 53.050 -0.001 0.000 0.940 37 N CB 1.955 40.441 38.487 -0.001 0.000 1.200 37 N HN 0.091 nan 8.380 nan 0.000 0.511 38 V N 0.891 120.804 119.914 -0.002 0.000 2.823 38 V HA 0.422 4.543 4.120 0.000 0.000 0.312 38 V C -0.278 175.815 176.094 -0.003 0.000 1.072 38 V CA -0.814 61.484 62.300 -0.002 0.000 0.937 38 V CB 2.370 34.191 31.823 -0.003 0.000 1.013 38 V HN 0.320 nan 8.190 nan 0.000 0.430 39 V N 4.962 124.874 119.914 -0.003 0.000 2.409 39 V HA 0.487 4.607 4.120 0.000 0.000 0.291 39 V C -0.760 175.331 176.094 -0.005 0.000 1.020 39 V CA -0.567 61.731 62.300 -0.004 0.000 0.848 39 V CB 1.586 33.407 31.823 -0.004 0.000 0.990 39 V HN 0.501 nan 8.190 nan 0.000 0.430 40 L N 3.359 124.579 121.223 -0.005 0.000 2.307 40 L HA 0.518 4.859 4.340 0.000 0.000 0.284 40 L C 0.204 177.069 176.870 -0.008 0.000 1.023 40 L CA -0.256 54.580 54.840 -0.007 0.000 0.810 40 L CB 1.211 43.267 42.059 -0.006 0.000 1.231 40 L HN 0.655 nan 8.230 nan 0.000 0.423 41 D N 2.843 123.235 120.400 -0.013 0.000 2.319 41 D HA 0.160 4.800 4.640 0.000 0.000 0.235 41 D C -0.324 175.965 176.300 -0.019 0.000 1.304 41 D CA 0.772 54.761 54.000 -0.020 0.000 0.894 41 D CB 0.796 41.579 40.800 -0.028 0.000 1.183 41 D HN 0.484 nan 8.370 nan 0.000 0.472 42 K N -0.659 119.723 120.400 -0.030 0.000 2.569 42 K HA 0.209 4.530 4.320 0.000 0.000 0.259 42 K C 0.257 176.800 176.600 -0.095 0.000 0.932 42 K CA -0.497 55.769 56.287 -0.035 0.000 0.833 42 K CB 1.379 33.883 32.500 0.007 0.000 1.340 42 K HN 0.288 nan 8.250 nan 0.000 0.429 43 S N 1.813 117.408 115.700 -0.176 0.000 2.423 43 S HA 0.057 4.527 4.470 0.000 0.000 0.231 43 S C 0.008 174.198 174.600 -0.684 0.000 1.014 43 S CA 0.848 58.779 58.200 -0.448 0.000 0.965 43 S CB -0.160 62.699 63.200 -0.569 0.000 0.785 43 S HN 0.394 nan 8.310 nan 0.000 0.495 44 F N -0.193 119.755 119.950 -0.002 0.000 2.591 44 F HA 0.589 5.117 4.527 0.001 0.000 0.309 44 F C 0.793 176.592 175.800 -0.002 0.000 1.098 44 F CA -0.432 57.567 58.000 -0.002 0.000 0.937 44 F CB 1.508 40.507 39.000 -0.002 0.000 1.250 44 F HN 0.237 nan 8.300 nan 0.000 0.447 45 G N 1.034 109.948 108.800 0.190 0.000 2.697 45 G HA2 0.144 4.104 3.960 0.000 0.000 0.240 45 G HA3 0.144 4.104 3.960 0.000 0.000 0.240 45 G C -0.488 174.447 174.900 0.059 0.000 1.346 45 G CA -0.580 44.580 45.100 0.100 0.000 0.887 45 G HN 1.297 nan 8.290 nan 0.000 0.569 46 A N 1.518 124.362 122.820 0.040 0.000 2.407 46 A HA 0.690 5.010 4.320 0.000 0.000 0.248 46 A C -0.965 176.630 177.584 0.018 0.000 1.082 46 A CA 0.009 52.060 52.037 0.024 0.000 0.785 46 A CB 0.043 19.054 19.000 0.018 0.000 1.020 46 A HN 0.922 nan 8.150 nan 0.000 0.489 47 P HA 0.113 nan 4.420 nan 0.000 0.271 47 P C -0.371 176.931 177.300 0.004 0.000 1.218 47 P CA 0.085 63.186 63.100 0.002 0.000 0.780 47 P CB 0.327 32.024 31.700 -0.004 0.000 0.901 48 T N 4.075 118.631 114.554 0.003 0.000 2.855 48 T HA 0.262 4.612 4.350 0.000 0.000 0.290 48 T C 0.684 175.384 174.700 0.001 0.000 0.941 48 T CA -0.102 62.000 62.100 0.003 0.000 1.030 48 T CB -0.924 67.946 68.868 0.003 0.000 0.935 48 T HN 0.215 nan 8.240 nan 0.000 0.564 49 I N 3.408 123.979 120.570 0.001 0.000 2.517 49 I HA 0.302 4.473 4.170 0.000 0.000 0.285 49 I C 0.930 177.047 176.117 -0.000 0.000 1.106 49 I CA 0.076 61.376 61.300 0.000 0.000 1.402 49 I CB 0.459 38.459 38.000 0.001 0.000 1.399 49 I HN 0.452 nan 8.210 nan 0.000 0.535 50 T N 4.820 119.373 114.554 -0.001 0.000 2.821 50 T HA 0.356 4.707 4.350 0.000 0.000 0.306 50 T C -0.052 174.646 174.700 -0.003 0.000 1.313 50 T CA -0.732 61.367 62.100 -0.002 0.000 1.012 50 T CB 1.608 70.474 68.868 -0.003 0.000 1.298 50 T HN 0.670 nan 8.240 nan 0.000 0.502 51 K N 0.955 121.353 120.400 -0.003 0.000 2.413 51 K HA 0.197 4.517 4.320 0.000 0.000 0.204 51 K C -0.580 176.017 176.600 -0.005 0.000 1.041 51 K CA -0.334 55.951 56.287 -0.004 0.000 1.082 51 K CB 0.517 33.014 32.500 -0.004 0.000 0.871 51 K HN 0.462 nan 8.250 nan 0.000 0.535 52 D N 0.505 120.902 120.400 -0.005 0.000 2.325 52 D HA 0.066 4.706 4.640 0.000 0.000 0.251 52 D C 1.214 177.510 176.300 -0.007 0.000 1.196 52 D CA -0.027 53.969 54.000 -0.006 0.000 0.866 52 D CB 1.294 42.090 40.800 -0.007 0.000 1.101 52 D HN 0.180 nan 8.370 nan 0.000 0.476 53 G N 2.598 111.394 108.800 -0.008 0.000 2.448 53 G HA2 -0.197 3.764 3.960 0.000 0.000 0.219 53 G HA3 -0.197 3.764 3.960 0.000 0.000 0.219 53 G C 1.441 176.334 174.900 -0.012 0.000 1.127 53 G CA 0.702 45.797 45.100 -0.008 0.000 0.766 53 G HN 0.483 nan 8.290 nan 0.000 0.552 54 V N 0.958 120.864 119.914 -0.015 0.000 2.307 54 V HA -0.158 3.962 4.120 0.000 0.000 0.245 54 V C 3.079 179.162 176.094 -0.018 0.000 1.045 54 V CA 2.179 64.467 62.300 -0.019 0.000 1.024 54 V CB -0.579 31.231 31.823 -0.022 0.000 0.651 54 V HN 0.361 nan 8.190 nan 0.000 0.449 55 S N 0.015 115.706 115.700 -0.014 0.000 2.356 55 S HA -0.170 4.300 4.470 0.000 0.000 0.223 55 S C 2.027 176.621 174.600 -0.011 0.000 1.032 55 S CA 1.564 59.757 58.200 -0.012 0.000 1.005 55 S CB -0.275 62.920 63.200 -0.009 0.000 0.867 55 S HN 0.360 nan 8.310 nan 0.000 0.449 56 V N 1.986 121.894 119.914 -0.010 0.000 2.343 56 V HA -0.183 3.937 4.120 0.000 0.000 0.247 56 V C 2.643 178.732 176.094 -0.009 0.000 1.051 56 V CA 1.659 63.954 62.300 -0.008 0.000 1.036 56 V CB -1.209 30.610 31.823 -0.006 0.000 0.654 56 V HN 0.538 nan 8.190 nan 0.000 0.451 57 A N 0.045 122.858 122.820 -0.011 0.000 1.902 57 A HA -0.267 4.054 4.320 0.000 0.000 0.217 57 A C 2.393 179.968 177.584 -0.015 0.000 1.181 57 A CA 2.134 54.163 52.037 -0.013 0.000 0.623 57 A CB -0.565 18.425 19.000 -0.017 0.000 0.818 57 A HN 0.495 nan 8.150 nan 0.000 0.443 58 R N -0.680 119.810 120.500 -0.017 0.000 2.081 58 R HA -0.161 4.180 4.340 0.000 0.000 0.235 58 R C 1.842 178.133 176.300 -0.015 0.000 1.131 58 R CA 1.821 57.910 56.100 -0.018 0.000 0.960 58 R CB -0.151 30.137 30.300 -0.020 0.000 0.856 58 R HN 0.429 nan 8.270 nan 0.000 0.436 59 E N -0.019 120.174 120.200 -0.013 0.000 2.478 59 E HA 0.073 4.423 4.350 0.000 0.000 0.194 59 E C -0.301 176.292 176.600 -0.011 0.000 1.045 59 E CA 0.001 56.394 56.400 -0.012 0.000 0.868 59 E CB 0.209 29.903 29.700 -0.010 0.000 0.885 59 E HN 0.188 nan 8.360 nan 0.000 0.505 60 I N 2.313 122.877 120.570 -0.010 0.000 2.533 60 I HA 0.145 4.315 4.170 0.000 0.000 0.284 60 I C 0.198 176.310 176.117 -0.008 0.000 1.109 60 I CA 0.455 61.751 61.300 -0.008 0.000 1.412 60 I CB 0.509 38.506 38.000 -0.006 0.000 1.396 60 I HN 0.123 nan 8.210 nan 0.000 0.543 61 E N 8.237 128.433 120.200 -0.008 0.000 2.651 61 E HA 0.191 4.541 4.350 0.000 0.000 0.360 61 E C -2.000 174.595 176.600 -0.008 0.000 0.932 61 E CA -0.319 56.076 56.400 -0.009 0.000 0.761 61 E CB 0.591 30.283 29.700 -0.013 0.000 1.462 61 E HN 0.469 nan 8.360 nan 0.000 0.392 62 L N 2.729 123.950 121.223 -0.003 0.000 2.421 62 L HA 0.379 4.719 4.340 0.000 0.000 0.263 62 L C 1.871 178.740 176.870 -0.003 0.000 1.122 62 L CA -0.460 54.380 54.840 0.001 0.000 0.804 62 L CB 0.920 42.985 42.059 0.010 0.000 1.150 62 L HN 0.572 nan 8.230 nan 0.000 0.457 63 E N 0.617 120.817 120.200 -0.001 0.000 2.204 63 E HA -0.171 4.179 4.350 0.000 0.000 0.194 63 E C 0.247 176.848 176.600 0.002 0.000 0.989 63 E CA 0.461 56.859 56.400 -0.004 0.000 0.824 63 E CB 0.307 30.006 29.700 -0.003 0.000 0.756 63 E HN 0.586 nan 8.360 nan 0.000 0.477 64 D N 0.915 121.326 120.400 0.020 0.000 2.336 64 D HA -0.006 4.634 4.640 0.000 0.000 0.249 64 D C 0.476 176.798 176.300 0.037 0.000 1.213 64 D CA 0.062 54.090 54.000 0.047 0.000 0.870 64 D CB 0.857 41.704 40.800 0.079 0.000 1.076 64 D HN -0.000 nan 8.370 nan 0.000 0.483 65 K N 2.813 123.199 120.400 -0.024 0.000 2.283 65 K HA -0.093 4.228 4.320 0.000 0.000 0.202 65 K C 1.554 178.100 176.600 -0.090 0.000 1.048 65 K CA 0.835 57.062 56.287 -0.099 0.000 0.948 65 K CB 0.148 32.534 32.500 -0.190 0.000 0.742 65 K HN 0.423 nan 8.250 nan 0.000 0.458 66 F N 1.641 121.575 119.950 -0.026 0.000 2.146 66 F HA -0.105 4.422 4.527 -0.001 0.000 0.298 66 F C 2.077 177.864 175.800 -0.021 0.000 1.096 66 F CA 1.216 59.199 58.000 -0.028 0.000 1.275 66 F CB -0.155 38.824 39.000 -0.036 0.000 1.008 66 F HN 0.045 nan 8.300 nan 0.000 0.480 67 E N -0.428 119.881 120.200 0.181 0.000 2.158 67 E HA -0.156 4.194 4.350 0.000 0.000 0.191 67 E C 1.855 178.487 176.600 0.054 0.000 0.982 67 E CA 0.565 57.021 56.400 0.092 0.000 0.823 67 E CB -0.235 29.506 29.700 0.069 0.000 0.766 67 E HN 0.213 nan 8.360 nan 0.000 0.468 68 N N 1.257 119.980 118.700 0.039 0.000 2.104 68 N HA -0.150 4.590 4.740 0.000 0.000 0.190 68 N C 1.736 177.252 175.510 0.010 0.000 1.024 68 N CA 1.229 54.286 53.050 0.012 0.000 0.853 68 N CB -0.028 38.455 38.487 -0.007 0.000 1.008 68 N HN 0.142 nan 8.380 nan 0.000 0.424 69 M N -0.341 119.269 119.600 0.016 0.000 2.082 69 M HA -0.121 4.359 4.480 0.000 0.000 0.258 69 M C 2.168 178.484 176.300 0.028 0.000 1.069 69 M CA 1.882 57.192 55.300 0.017 0.000 1.102 69 M CB -0.771 31.847 32.600 0.030 0.000 1.336 69 M HN 0.242 nan 8.290 nan 0.000 0.404 70 G N -0.248 108.577 108.800 0.043 0.000 2.446 70 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 70 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 70 G C 1.593 176.505 174.900 0.020 0.000 1.168 70 G CA 1.090 46.211 45.100 0.034 0.000 0.771 70 G HN 0.560 nan 8.290 nan 0.000 0.551 71 A N 0.018 122.848 122.820 0.017 0.000 1.883 71 A HA -0.114 4.206 4.320 0.000 0.000 0.217 71 A C 2.413 179.997 177.584 -0.000 0.000 1.186 71 A CA 2.062 54.103 52.037 0.007 0.000 0.624 71 A CB -0.430 18.573 19.000 0.005 0.000 0.822 71 A HN 0.322 nan 8.150 nan 0.000 0.444 72 Q N -0.717 119.082 119.800 -0.002 0.000 2.084 72 Q HA -0.157 4.184 4.340 0.000 0.000 0.202 72 Q C 2.195 178.190 176.000 -0.008 0.000 0.978 72 Q CA 1.779 57.577 55.803 -0.008 0.000 0.844 72 Q CB -0.498 28.234 28.738 -0.011 0.000 0.898 72 Q HN 0.798 nan 8.270 nan 0.000 0.426 73 M N -0.406 119.194 119.600 0.001 0.000 2.065 73 M HA -0.174 4.306 4.480 0.000 0.000 0.259 73 M C 2.309 178.608 176.300 -0.001 0.000 1.069 73 M CA 1.309 56.612 55.300 0.004 0.000 1.110 73 M CB -0.447 32.163 32.600 0.016 0.000 1.328 73 M HN -0.041 nan 8.290 nan 0.000 0.405 74 V N 0.321 120.236 119.914 0.001 0.000 2.358 74 V HA -0.253 3.867 4.120 0.000 0.000 0.246 74 V C 2.202 178.285 176.094 -0.017 0.000 1.047 74 V CA 1.775 64.074 62.300 -0.002 0.000 1.035 74 V CB -0.693 31.132 31.823 0.005 0.000 0.658 74 V HN 0.429 nan 8.190 nan 0.000 0.452 75 K N -0.296 120.092 120.400 -0.020 0.000 2.026 75 K HA -0.206 4.114 4.320 0.000 0.000 0.208 75 K C 2.351 178.922 176.600 -0.048 0.000 1.048 75 K CA 1.538 57.807 56.287 -0.030 0.000 0.929 75 K CB -0.216 32.269 32.500 -0.025 0.000 0.713 75 K HN 0.333 nan 8.250 nan 0.000 0.439 76 E N 0.854 121.027 120.200 -0.045 0.000 2.047 76 E HA -0.131 4.219 4.350 0.000 0.000 0.191 76 E C 1.960 178.503 176.600 -0.096 0.000 0.987 76 E CA 1.058 57.422 56.400 -0.060 0.000 0.799 76 E CB 0.082 29.757 29.700 -0.041 0.000 0.752 76 E HN 0.033 nan 8.360 nan 0.000 0.449 77 V N 1.296 121.160 119.914 -0.083 0.000 2.626 77 V HA -0.176 3.945 4.120 0.000 0.000 0.252 77 V C 2.491 178.462 176.094 -0.205 0.000 1.067 77 V CA 1.463 63.683 62.300 -0.132 0.000 1.081 77 V CB -0.696 31.113 31.823 -0.023 0.000 0.686 77 V HN 0.297 nan 8.190 nan 0.000 0.468 78 A N -0.894 121.853 122.820 -0.121 0.000 1.969 78 A HA -0.183 4.137 4.320 0.000 0.000 0.218 78 A C 2.520 180.018 177.584 -0.144 0.000 1.169 78 A CA 1.899 53.870 52.037 -0.111 0.000 0.635 78 A CB -0.577 18.391 19.000 -0.054 0.000 0.810 78 A HN 0.446 nan 8.150 nan 0.000 0.445 79 S N -0.405 115.210 115.700 -0.141 0.000 2.356 79 S HA -0.177 4.293 4.470 0.000 0.000 0.223 79 S C 2.038 176.510 174.600 -0.215 0.000 1.032 79 S CA 1.751 59.868 58.200 -0.139 0.000 1.005 79 S CB -0.283 62.855 63.200 -0.105 0.000 0.867 79 S HN 0.613 nan 8.310 nan 0.000 0.449 80 K N 0.727 120.925 120.400 -0.337 0.000 2.113 80 K HA -0.124 4.196 4.320 0.000 0.000 0.208 80 K C 2.289 178.463 176.600 -0.709 0.000 1.047 80 K CA 1.307 57.272 56.287 -0.537 0.000 0.928 80 K CB -0.344 31.713 32.500 -0.738 0.000 0.716 80 K HN 0.425 nan 8.250 nan 0.000 0.446 81 A N 1.797 124.185 122.820 -0.720 0.000 1.855 81 A HA -0.200 4.120 4.320 0.000 0.000 0.215 81 A C 1.997 179.533 177.584 -0.079 0.000 1.191 81 A CA 1.569 53.457 52.037 -0.250 0.000 0.613 81 A CB -0.744 18.215 19.000 -0.069 0.000 0.829 81 A HN 0.380 nan 8.150 nan 0.000 0.442 82 N N -0.104 118.538 118.700 -0.097 0.000 2.149 82 N HA -0.183 4.558 4.740 0.000 0.000 0.188 82 N C 0.485 175.969 175.510 -0.044 0.000 1.019 82 N CA 1.564 54.582 53.050 -0.053 0.000 0.857 82 N CB -0.272 38.179 38.487 -0.060 0.000 0.997 82 N HN 0.352 nan 8.380 nan 0.000 0.426 83 D N -0.009 120.352 120.400 -0.065 0.000 2.378 83 D HA -0.008 4.633 4.640 0.000 0.000 0.227 83 D C 0.912 177.206 176.300 -0.009 0.000 1.012 83 D CA 0.266 54.237 54.000 -0.047 0.000 0.905 83 D CB 0.155 40.917 40.800 -0.063 0.000 0.895 83 D HN 0.396 nan 8.370 nan 0.000 0.532 84 A N -0.526 122.303 122.820 0.014 0.000 2.390 84 A HA 0.570 4.890 4.320 0.000 0.000 0.232 84 A C 1.597 179.211 177.584 0.051 0.000 1.233 84 A CA 0.605 52.672 52.037 0.050 0.000 0.907 84 A CB 0.696 19.752 19.000 0.093 0.000 0.967 84 A HN 0.152 nan 8.150 nan 0.000 0.512 85 A N -2.709 120.133 122.820 0.037 0.000 1.817 85 A HA 0.475 4.795 4.320 0.000 0.000 0.204 85 A C 1.877 179.481 177.584 0.033 0.000 1.741 85 A CA 1.123 53.183 52.037 0.038 0.000 1.196 85 A CB -0.460 18.562 19.000 0.037 0.000 1.211 85 A HN 1.763 nan 8.150 nan 0.000 0.450 86 G N 0.017 108.827 108.800 0.017 0.000 2.435 86 G HA2 -0.380 3.580 3.960 0.000 0.000 0.245 86 G HA3 -0.380 3.580 3.960 0.000 0.000 0.245 86 G C 0.436 175.338 174.900 0.004 0.000 1.073 86 G CA 1.354 46.459 45.100 0.009 0.000 0.638 86 G HN 0.769 nan 8.290 nan 0.000 0.521 87 D N -1.927 118.479 120.400 0.010 0.000 2.440 87 D HA 0.501 5.141 4.640 0.000 0.000 0.282 87 D C 1.830 178.134 176.300 0.007 0.000 1.189 87 D CA 1.547 55.552 54.000 0.008 0.000 1.105 87 D CB 0.081 40.888 40.800 0.013 0.000 1.173 87 D HN 1.251 nan 8.370 nan 0.000 0.577 88 G N -1.474 107.334 108.800 0.014 0.000 2.396 88 G HA2 -0.381 3.579 3.960 0.000 0.000 0.242 88 G HA3 -0.381 3.579 3.960 0.000 0.000 0.242 88 G C 1.344 176.252 174.900 0.013 0.000 1.069 88 G CA 1.250 46.364 45.100 0.023 0.000 0.633 88 G HN 0.510 nan 8.290 nan 0.000 0.517 89 T N 1.058 115.611 114.554 -0.003 0.000 2.570 89 T HA -0.193 4.157 4.350 0.000 0.000 0.266 89 T C 2.389 177.087 174.700 -0.003 0.000 1.071 89 T CA 2.887 64.980 62.100 -0.013 0.000 1.172 89 T CB -0.993 67.864 68.868 -0.019 0.000 0.864 89 T HN 0.554 nan 8.240 nan 0.000 0.421 90 T N 1.855 116.409 114.554 0.000 0.000 2.821 90 T HA -0.091 4.259 4.350 0.000 0.000 0.267 90 T C 2.339 177.045 174.700 0.010 0.000 1.046 90 T CA 1.604 63.706 62.100 0.004 0.000 1.139 90 T CB -0.799 68.071 68.868 0.002 0.000 0.871 90 T HN 0.466 nan 8.240 nan 0.000 0.454 91 T N 2.299 116.862 114.554 0.015 0.000 2.684 91 T HA -0.096 4.254 4.350 0.000 0.000 0.267 91 T C 2.439 177.156 174.700 0.029 0.000 1.036 91 T CA 1.260 63.373 62.100 0.021 0.000 1.148 91 T CB -0.651 68.231 68.868 0.024 0.000 0.863 91 T HN 0.452 nan 8.240 nan 0.000 0.436 92 A N 1.541 124.381 122.820 0.035 0.000 1.865 92 A HA -0.158 4.163 4.320 0.000 0.000 0.217 92 A C 2.603 180.208 177.584 0.035 0.000 1.191 92 A CA 2.243 54.308 52.037 0.048 0.000 0.623 92 A CB -1.393 17.640 19.000 0.054 0.000 0.826 92 A HN 0.490 nan 8.150 nan 0.000 0.444 93 T N -0.420 114.147 114.554 0.021 0.000 2.746 93 T HA -0.110 4.240 4.350 0.000 0.000 0.267 93 T C 1.860 176.570 174.700 0.017 0.000 1.039 93 T CA 1.532 63.641 62.100 0.016 0.000 1.142 93 T CB -0.422 68.450 68.868 0.007 0.000 0.866 93 T HN 0.144 nan 8.240 nan 0.000 0.444 94 V N 1.369 121.292 119.914 0.016 0.000 2.343 94 V HA -0.095 4.025 4.120 0.000 0.000 0.247 94 V C 2.457 178.562 176.094 0.018 0.000 1.051 94 V CA 1.396 63.705 62.300 0.016 0.000 1.036 94 V CB -0.612 31.220 31.823 0.014 0.000 0.654 94 V HN 0.435 nan 8.190 nan 0.000 0.451 95 L N -0.151 121.086 121.223 0.023 0.000 2.056 95 L HA -0.134 4.206 4.340 0.000 0.000 0.207 95 L C 2.740 179.625 176.870 0.025 0.000 1.078 95 L CA 1.487 56.342 54.840 0.024 0.000 0.749 95 L CB -0.808 41.269 42.059 0.029 0.000 0.901 95 L HN 0.356 nan 8.230 nan 0.000 0.433 96 A N -0.219 122.617 122.820 0.028 0.000 1.865 96 A HA -0.318 4.002 4.320 0.000 0.000 0.217 96 A C 2.257 179.854 177.584 0.021 0.000 1.191 96 A CA 2.081 54.135 52.037 0.028 0.000 0.623 96 A CB -0.734 18.285 19.000 0.031 0.000 0.826 96 A HN 0.493 nan 8.150 nan 0.000 0.444 97 Q N -0.544 119.266 119.800 0.017 0.000 2.061 97 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 97 Q C 2.109 178.117 176.000 0.013 0.000 0.984 97 Q CA 2.047 57.859 55.803 0.014 0.000 0.846 97 Q CB -0.402 28.343 28.738 0.012 0.000 0.902 97 Q HN 0.590 nan 8.270 nan 0.000 0.421 98 A N 0.194 123.023 122.820 0.014 0.000 2.019 98 A HA -0.114 4.206 4.320 0.000 0.000 0.219 98 A C 1.889 179.480 177.584 0.012 0.000 1.164 98 A CA 1.259 53.303 52.037 0.012 0.000 0.644 98 A CB -0.450 18.558 19.000 0.013 0.000 0.805 98 A HN 0.512 nan 8.150 nan 0.000 0.449 99 I N -1.014 119.564 120.570 0.014 0.000 2.385 99 I HA -0.099 4.071 4.170 0.000 0.000 0.244 99 I C 2.204 178.328 176.117 0.013 0.000 1.089 99 I CA 0.780 62.088 61.300 0.013 0.000 1.410 99 I CB -0.300 37.709 38.000 0.016 0.000 1.117 99 I HN 0.208 nan 8.210 nan 0.000 0.429 100 I N 0.748 121.327 120.570 0.014 0.000 2.163 100 I HA -0.272 3.898 4.170 0.000 0.000 0.243 100 I C 2.347 178.469 176.117 0.010 0.000 1.085 100 I CA 1.630 62.937 61.300 0.013 0.000 1.347 100 I CB -0.497 37.512 38.000 0.015 0.000 1.044 100 I HN 0.207 nan 8.210 nan 0.000 0.408 101 T N 0.027 114.586 114.554 0.009 0.000 3.051 101 T HA -0.073 4.277 4.350 0.000 0.000 0.269 101 T C 1.629 176.332 174.700 0.005 0.000 1.127 101 T CA 0.886 62.990 62.100 0.006 0.000 1.107 101 T CB -0.075 68.797 68.868 0.006 0.000 0.898 101 T HN 0.319 nan 8.240 nan 0.000 0.517 102 E N 0.415 120.619 120.200 0.006 0.000 2.201 102 E HA 0.140 4.490 4.350 0.000 0.000 0.193 102 E C 2.512 179.116 176.600 0.006 0.000 0.957 102 E CA 0.523 56.927 56.400 0.006 0.000 0.858 102 E CB -0.417 29.287 29.700 0.006 0.000 0.816 102 E HN 0.490 nan 8.360 nan 0.000 0.475 103 G N 1.277 110.081 108.800 0.007 0.000 2.394 103 G HA2 -0.156 3.804 3.960 0.000 0.000 0.215 103 G HA3 -0.156 3.804 3.960 0.000 0.000 0.215 103 G C 1.583 176.487 174.900 0.007 0.000 1.165 103 G CA 0.274 45.378 45.100 0.007 0.000 0.784 103 G HN 0.074 nan 8.290 nan 0.000 0.535 104 L N 0.731 121.958 121.223 0.006 0.000 2.046 104 L HA 0.060 4.400 4.340 0.000 0.000 0.208 104 L C 2.646 179.517 176.870 0.002 0.000 1.077 104 L CA 1.636 56.479 54.840 0.005 0.000 0.747 104 L CB -0.520 41.541 42.059 0.004 0.000 0.896 104 L HN 0.197 nan 8.230 nan 0.000 0.432 105 K N -0.457 119.944 120.400 0.002 0.000 2.057 105 K HA -0.199 4.122 4.320 0.000 0.000 0.207 105 K C 2.078 178.679 176.600 0.002 0.000 1.049 105 K CA 1.391 57.679 56.287 0.001 0.000 0.931 105 K CB -0.083 32.417 32.500 0.001 0.000 0.714 105 K HN 0.285 nan 8.250 nan 0.000 0.440 106 A N 0.779 123.601 122.820 0.003 0.000 1.858 106 A HA -0.142 4.178 4.320 0.000 0.000 0.216 106 A C 2.228 179.814 177.584 0.003 0.000 1.190 106 A CA 1.751 53.790 52.037 0.003 0.000 0.617 106 A CB -0.934 18.068 19.000 0.004 0.000 0.827 106 A HN 0.266 nan 8.150 nan 0.000 0.443 107 V N -0.160 119.757 119.914 0.004 0.000 2.407 107 V HA -0.136 3.984 4.120 0.000 0.000 0.248 107 V C 2.711 178.808 176.094 0.004 0.000 1.055 107 V CA 2.285 64.588 62.300 0.005 0.000 1.049 107 V CB -0.752 31.075 31.823 0.007 0.000 0.662 107 V HN 0.601 nan 8.190 nan 0.000 0.455 108 A N -0.017 122.804 122.820 0.002 0.000 1.972 108 A HA 0.046 4.367 4.320 0.000 0.000 0.219 108 A C 2.215 179.799 177.584 0.000 0.000 1.169 108 A CA 1.721 53.758 52.037 0.001 0.000 0.635 108 A CB -0.825 18.175 19.000 -0.001 0.000 0.810 108 A HN 0.944 nan 8.150 nan 0.000 0.446 109 A N -1.580 121.240 122.820 0.001 0.000 2.261 109 A HA 0.420 4.741 4.320 0.000 0.000 0.208 109 A C 1.584 179.168 177.584 0.001 0.000 1.223 109 A CA 1.090 53.127 52.037 0.000 0.000 0.833 109 A CB -1.135 17.866 19.000 0.001 0.000 0.830 109 A HN 1.885 nan 8.150 nan 0.000 0.483 110 G N -1.700 107.100 108.800 0.001 0.000 2.131 110 G HA2 -0.221 3.739 3.960 0.000 0.000 0.223 110 G HA3 -0.221 3.739 3.960 0.000 0.000 0.223 110 G C 0.089 174.990 174.900 0.001 0.000 0.990 110 G CA 0.252 45.352 45.100 0.001 0.000 0.671 110 G HN 0.395 nan 8.290 nan 0.000 0.521 111 M N 0.303 119.905 119.600 0.002 0.000 2.291 111 M HA 0.353 4.833 4.480 0.000 0.000 0.324 111 M C 0.627 176.929 176.300 0.003 0.000 1.148 111 M CA -0.813 54.489 55.300 0.002 0.000 1.104 111 M CB 0.714 33.316 32.600 0.003 0.000 1.483 111 M HN 0.142 nan 8.290 nan 0.000 0.467 112 N N 2.948 121.650 118.700 0.003 0.000 2.442 112 N HA 0.146 4.886 4.740 0.000 0.000 0.265 112 N C -1.960 173.553 175.510 0.005 0.000 1.138 112 N CA -1.841 51.211 53.050 0.003 0.000 0.956 112 N CB 0.833 39.321 38.487 0.003 0.000 1.067 112 N HN 0.288 nan 8.380 nan 0.000 0.474 113 P HA -0.109 nan 4.420 nan 0.000 0.221 113 P C 1.147 178.451 177.300 0.008 0.000 1.150 113 P CA 0.932 64.037 63.100 0.008 0.000 0.800 113 P CB 0.325 32.031 31.700 0.011 0.000 0.787 114 M N 0.018 119.622 119.600 0.007 0.000 2.156 114 M HA -0.048 4.433 4.480 0.000 0.000 0.264 114 M C 1.660 177.963 176.300 0.005 0.000 1.067 114 M CA 1.542 56.846 55.300 0.006 0.000 1.131 114 M CB -1.199 31.404 32.600 0.005 0.000 1.368 114 M HN -0.204 nan 8.290 nan 0.000 0.416 115 D N -0.301 120.102 120.400 0.004 0.000 2.144 115 D HA -0.078 4.562 4.640 0.000 0.000 0.200 115 D C 2.112 178.414 176.300 0.004 0.000 0.978 115 D CA 1.091 55.093 54.000 0.003 0.000 0.833 115 D CB -0.132 40.669 40.800 0.003 0.000 0.961 115 D HN 0.307 nan 8.370 nan 0.000 0.470 116 L N 0.916 122.142 121.223 0.005 0.000 2.012 116 L HA -0.204 4.136 4.340 0.000 0.000 0.210 116 L C 2.573 179.447 176.870 0.006 0.000 1.073 116 L CA 1.275 56.118 54.840 0.005 0.000 0.748 116 L CB -0.354 41.709 42.059 0.006 0.000 0.891 116 L HN -0.018 nan 8.230 nan 0.000 0.431 117 K N 0.472 120.875 120.400 0.006 0.000 2.032 117 K HA -0.252 4.068 4.320 0.000 0.000 0.209 117 K C 2.310 178.912 176.600 0.004 0.000 1.048 117 K CA 1.556 57.847 56.287 0.006 0.000 0.927 117 K CB -0.152 32.352 32.500 0.007 0.000 0.712 117 K HN 0.074 nan 8.250 nan 0.000 0.441 118 R N -0.477 120.025 120.500 0.003 0.000 2.249 118 R HA -0.111 4.229 4.340 0.000 0.000 0.230 118 R C 1.876 178.177 176.300 0.002 0.000 1.121 118 R CA 1.447 57.548 56.100 0.002 0.000 0.997 118 R CB -0.152 30.149 30.300 0.002 0.000 0.867 118 R HN 0.445 nan 8.270 nan 0.000 0.465 119 G N -0.159 108.642 108.800 0.002 0.000 2.559 119 G HA2 -0.043 3.917 3.960 0.000 0.000 0.209 119 G HA3 -0.043 3.917 3.960 0.000 0.000 0.209 119 G C 1.331 176.233 174.900 0.003 0.000 1.151 119 G CA -0.097 45.005 45.100 0.003 0.000 0.824 119 G HN 0.160 nan 8.290 nan 0.000 0.543 120 I N 1.325 121.897 120.570 0.004 0.000 2.163 120 I HA -0.158 4.012 4.170 0.000 0.000 0.243 120 I C 2.345 178.463 176.117 0.002 0.000 1.085 120 I CA 1.397 62.699 61.300 0.004 0.000 1.347 120 I CB -0.222 37.782 38.000 0.006 0.000 1.044 120 I HN 0.042 nan 8.210 nan 0.000 0.408 121 D N 0.824 121.224 120.400 0.000 0.000 2.126 121 D HA -0.255 4.385 4.640 0.000 0.000 0.190 121 D C 2.149 178.446 176.300 -0.004 0.000 1.001 121 D CA 1.428 55.426 54.000 -0.003 0.000 0.841 121 D CB -0.158 40.640 40.800 -0.003 0.000 0.949 121 D HN 0.182 nan 8.370 nan 0.000 0.446 122 K N -0.024 120.375 120.400 -0.002 0.000 2.032 122 K HA -0.143 4.177 4.320 0.000 0.000 0.209 122 K C 2.002 178.601 176.600 -0.001 0.000 1.048 122 K CA 1.378 57.664 56.287 -0.002 0.000 0.927 122 K CB -0.120 32.380 32.500 -0.000 0.000 0.712 122 K HN 0.115 nan 8.250 nan 0.000 0.441 123 A N 0.409 123.230 122.820 0.001 0.000 1.898 123 A HA -0.085 4.235 4.320 0.000 0.000 0.216 123 A C 2.231 179.816 177.584 0.001 0.000 1.181 123 A CA 1.364 53.402 52.037 0.002 0.000 0.620 123 A CB -0.538 18.464 19.000 0.004 0.000 0.819 123 A HN 0.166 nan 8.150 nan 0.000 0.442 124 V N -0.270 119.643 119.914 -0.001 0.000 2.261 124 V HA -0.236 3.884 4.120 0.000 0.000 0.246 124 V C 2.798 178.887 176.094 -0.008 0.000 1.047 124 V CA 2.584 64.882 62.300 -0.004 0.000 1.015 124 V CB -1.168 30.651 31.823 -0.007 0.000 0.642 124 V HN 0.608 nan 8.190 nan 0.000 0.446 125 T N 0.276 114.824 114.554 -0.010 0.000 2.708 125 T HA -0.160 4.190 4.350 0.000 0.000 0.266 125 T C 2.049 176.745 174.700 -0.007 0.000 1.037 125 T CA 1.621 63.714 62.100 -0.011 0.000 1.146 125 T CB -0.495 68.366 68.868 -0.012 0.000 0.865 125 T HN 0.564 nan 8.240 nan 0.000 0.435 126 A N 1.559 124.377 122.820 -0.003 0.000 1.883 126 A HA 0.059 4.379 4.320 0.000 0.000 0.217 126 A C 2.647 180.232 177.584 0.001 0.000 1.186 126 A CA 2.021 54.058 52.037 -0.001 0.000 0.624 126 A CB -1.167 17.834 19.000 0.001 0.000 0.822 126 A HN 0.521 nan 8.150 nan 0.000 0.444 127 A N -0.808 122.013 122.820 0.002 0.000 1.933 127 A HA 0.024 4.345 4.320 0.000 0.000 0.218 127 A C 2.176 179.762 177.584 0.003 0.000 1.175 127 A CA 1.722 53.762 52.037 0.005 0.000 0.628 127 A CB -0.794 18.210 19.000 0.006 0.000 0.814 127 A HN 0.414 nan 8.150 nan 0.000 0.444 128 V N -0.288 119.625 119.914 -0.002 0.000 2.667 128 V HA -0.175 3.946 4.120 0.000 0.000 0.252 128 V C 2.478 178.570 176.094 -0.003 0.000 1.065 128 V CA 2.175 64.472 62.300 -0.005 0.000 1.083 128 V CB -0.524 31.290 31.823 -0.014 0.000 0.692 128 V HN 0.623 nan 8.190 nan 0.000 0.468 129 E N 0.321 120.519 120.200 -0.003 0.000 2.047 129 E HA -0.172 4.178 4.350 0.000 0.000 0.191 129 E C 2.264 178.866 176.600 0.003 0.000 0.987 129 E CA 1.038 57.437 56.400 -0.001 0.000 0.799 129 E CB -0.134 29.566 29.700 -0.001 0.000 0.752 129 E HN 0.462 nan 8.360 nan 0.000 0.449 130 E N -0.043 120.160 120.200 0.005 0.000 2.204 130 E HA -0.157 4.193 4.350 0.000 0.000 0.195 130 E C 2.037 178.644 176.600 0.010 0.000 0.990 130 E CA 0.378 56.783 56.400 0.009 0.000 0.821 130 E CB -0.199 29.508 29.700 0.011 0.000 0.750 130 E HN 0.226 nan 8.360 nan 0.000 0.477 131 L N 1.408 122.636 121.223 0.008 0.000 2.141 131 L HA -0.158 4.182 4.340 0.000 0.000 0.209 131 L C 1.948 178.823 176.870 0.008 0.000 1.094 131 L CA 1.589 56.435 54.840 0.009 0.000 0.763 131 L CB -0.106 41.957 42.059 0.007 0.000 0.908 131 L HN -0.049 nan 8.230 nan 0.000 0.437 132 K N -0.795 119.608 120.400 0.005 0.000 2.057 132 K HA -0.108 4.213 4.320 0.000 0.000 0.207 132 K C 2.083 178.688 176.600 0.007 0.000 1.049 132 K CA 1.306 57.596 56.287 0.004 0.000 0.931 132 K CB -0.397 32.104 32.500 0.002 0.000 0.714 132 K HN 0.417 nan 8.250 nan 0.000 0.440 133 A N 1.257 124.082 122.820 0.008 0.000 1.930 133 A HA -0.106 4.214 4.320 0.000 0.000 0.217 133 A C 2.075 179.667 177.584 0.014 0.000 1.175 133 A CA 0.987 53.030 52.037 0.010 0.000 0.627 133 A CB -0.386 18.620 19.000 0.011 0.000 0.815 133 A HN 0.208 nan 8.150 nan 0.000 0.443 134 L N -0.090 121.142 121.223 0.016 0.000 2.217 134 L HA 0.086 4.426 4.340 0.000 0.000 0.211 134 L C 1.617 178.497 176.870 0.017 0.000 1.107 134 L CA 1.372 56.224 54.840 0.020 0.000 0.783 134 L CB -0.356 41.716 42.059 0.022 0.000 0.919 134 L HN 0.253 nan 8.230 nan 0.000 0.442 135 S N 0.412 116.120 115.700 0.013 0.000 3.716 135 S HA 0.093 4.564 4.470 0.000 0.000 0.254 135 S C 0.182 174.788 174.600 0.011 0.000 1.209 135 S CA -0.561 57.646 58.200 0.011 0.000 1.026 135 S CB -1.248 61.958 63.200 0.009 0.000 1.625 135 S HN 0.115 nan 8.310 nan 0.000 0.500 136 V N 6.668 126.590 119.914 0.012 0.000 2.720 136 V HA 0.063 4.183 4.120 0.000 0.000 0.307 136 V C -1.586 174.513 176.094 0.008 0.000 1.071 136 V CA -1.057 61.250 62.300 0.011 0.000 1.199 136 V CB -0.321 31.510 31.823 0.013 0.000 0.900 136 V HN 0.603 nan 8.190 nan 0.000 0.494 137 P HA 0.215 nan 4.420 nan 0.000 0.272 137 P C -0.596 176.706 177.300 0.004 0.000 1.254 137 P CA -0.253 62.850 63.100 0.005 0.000 0.795 137 P CB 0.462 32.164 31.700 0.004 0.000 1.022 138 C N -0.103 119.198 119.300 0.002 0.000 2.888 138 C HA 0.683 5.143 4.460 0.000 0.000 0.308 138 C C 0.828 175.817 174.990 -0.001 0.000 1.213 138 C CA 0.459 59.477 59.018 0.001 0.000 1.461 138 C CB 0.715 28.456 27.740 0.000 0.000 1.934 138 C HN 0.654 nan 8.230 nan 0.000 0.474 139 S N 1.137 116.836 115.700 -0.002 0.000 3.299 139 S HA 0.123 4.593 4.470 0.000 0.000 0.213 139 S C -0.335 174.262 174.600 -0.004 0.000 0.997 139 S CA 0.550 58.748 58.200 -0.003 0.000 1.189 139 S CB -0.532 62.667 63.200 -0.002 0.000 1.106 139 S HN 0.990 nan 8.310 nan 0.000 0.403 140 D N 1.123 121.521 120.400 -0.003 0.000 2.432 140 D HA 0.390 5.030 4.640 0.000 0.000 0.258 140 D C 0.779 177.076 176.300 -0.005 0.000 1.146 140 D CA 0.107 54.105 54.000 -0.004 0.000 1.015 140 D CB 1.182 41.980 40.800 -0.002 0.000 1.107 140 D HN 0.168 nan 8.370 nan 0.000 0.529 141 S N -0.207 115.490 115.700 -0.005 0.000 2.400 141 S HA -0.187 4.284 4.470 0.000 0.000 0.232 141 S C 1.691 176.288 174.600 -0.006 0.000 1.025 141 S CA 1.226 59.422 58.200 -0.006 0.000 0.993 141 S CB -0.255 62.941 63.200 -0.006 0.000 0.808 141 S HN 0.602 nan 8.310 nan 0.000 0.478 142 K N 1.610 122.007 120.400 -0.004 0.000 2.001 142 K HA -0.042 4.278 4.320 0.000 0.000 0.208 142 K C 2.327 178.924 176.600 -0.005 0.000 1.048 142 K CA 1.158 57.443 56.287 -0.004 0.000 0.932 142 K CB -0.414 32.084 32.500 -0.003 0.000 0.715 142 K HN 0.283 nan 8.250 nan 0.000 0.437 143 A N 1.725 124.543 122.820 -0.004 0.000 1.908 143 A HA -0.170 4.151 4.320 0.000 0.000 0.218 143 A C 2.072 179.653 177.584 -0.006 0.000 1.181 143 A CA 1.485 53.519 52.037 -0.004 0.000 0.627 143 A CB -0.581 18.417 19.000 -0.003 0.000 0.818 143 A HN 0.322 nan 8.150 nan 0.000 0.445 144 I N -0.047 120.519 120.570 -0.007 0.000 2.127 144 I HA -0.277 3.893 4.170 0.000 0.000 0.241 144 I C 3.001 179.113 176.117 -0.008 0.000 1.075 144 I CA 1.641 62.936 61.300 -0.008 0.000 1.334 144 I CB -1.662 36.333 38.000 -0.010 0.000 1.040 144 I HN 0.379 nan 8.210 nan 0.000 0.405 145 A N 0.005 122.820 122.820 -0.008 0.000 1.908 145 A HA -0.283 4.037 4.320 0.000 0.000 0.218 145 A C 2.361 179.940 177.584 -0.008 0.000 1.181 145 A CA 2.040 54.072 52.037 -0.008 0.000 0.627 145 A CB -0.783 18.213 19.000 -0.008 0.000 0.818 145 A HN 0.576 nan 8.150 nan 0.000 0.445 146 Q N -0.696 119.099 119.800 -0.008 0.000 2.016 146 Q HA -0.120 4.221 4.340 0.000 0.000 0.200 146 Q C 1.999 177.993 176.000 -0.009 0.000 0.978 146 Q CA 1.938 57.736 55.803 -0.009 0.000 0.833 146 Q CB -0.308 28.425 28.738 -0.008 0.000 0.895 146 Q HN 0.373 nan 8.270 nan 0.000 0.427 147 V N 0.541 120.451 119.914 -0.007 0.000 2.594 147 V HA -0.140 3.980 4.120 0.000 0.000 0.253 147 V C 1.955 178.046 176.094 -0.006 0.000 1.069 147 V CA 2.032 64.328 62.300 -0.006 0.000 1.082 147 V CB -0.692 31.129 31.823 -0.004 0.000 0.680 147 V HN 0.628 nan 8.190 nan 0.000 0.469 148 G N -0.196 108.600 108.800 -0.007 0.000 2.433 148 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 148 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 148 G C 1.720 176.616 174.900 -0.006 0.000 1.186 148 G CA 1.685 46.781 45.100 -0.006 0.000 0.779 148 G HN 0.595 nan 8.290 nan 0.000 0.543 149 T N -0.133 114.416 114.554 -0.008 0.000 2.833 149 T HA -0.010 4.340 4.350 0.000 0.000 0.269 149 T C 2.391 177.084 174.700 -0.012 0.000 1.054 149 T CA 1.207 63.301 62.100 -0.010 0.000 1.135 149 T CB -0.240 68.621 68.868 -0.012 0.000 0.869 149 T HN 0.258 nan 8.240 nan 0.000 0.466 150 I N 1.281 121.844 120.570 -0.012 0.000 2.233 150 I HA -0.115 4.055 4.170 0.000 0.000 0.243 150 I C 3.065 179.176 176.117 -0.009 0.000 1.093 150 I CA 1.246 62.538 61.300 -0.014 0.000 1.380 150 I CB -0.515 37.477 38.000 -0.014 0.000 1.067 150 I HN 0.301 nan 8.210 nan 0.000 0.413 151 S N 0.752 116.449 115.700 -0.005 0.000 2.356 151 S HA -0.127 4.343 4.470 0.000 0.000 0.223 151 S C 1.982 176.582 174.600 0.000 0.000 1.032 151 S CA 1.401 59.601 58.200 0.000 0.000 1.005 151 S CB -0.246 62.957 63.200 0.005 0.000 0.867 151 S HN 0.447 nan 8.310 nan 0.000 0.449 152 A N 1.203 124.022 122.820 -0.001 0.000 2.261 152 A HA 0.216 4.536 4.320 0.000 0.000 0.208 152 A C 0.799 178.380 177.584 -0.005 0.000 1.223 152 A CA 0.545 52.581 52.037 -0.001 0.000 0.833 152 A CB -1.100 17.899 19.000 -0.001 0.000 0.830 152 A HN 0.821 nan 8.150 nan 0.000 0.483 153 N N -0.507 118.188 118.700 -0.008 0.000 2.738 153 N HA -0.255 4.485 4.740 0.000 0.000 0.249 153 N C 0.083 175.585 175.510 -0.014 0.000 1.047 153 N CA 0.636 53.679 53.050 -0.012 0.000 0.707 153 N CB -1.006 37.475 38.487 -0.010 0.000 0.937 153 N HN 0.522 nan 8.380 nan 0.000 0.545 154 S N -1.574 114.117 115.700 -0.014 0.000 2.931 154 S HA -0.187 4.283 4.470 0.000 0.000 0.271 154 S C -0.224 174.369 174.600 -0.012 0.000 1.309 154 S CA 0.811 59.002 58.200 -0.015 0.000 1.181 154 S CB -0.992 62.197 63.200 -0.019 0.000 1.435 154 S HN 0.709 nan 8.310 nan 0.000 0.670 155 D N 2.025 122.419 120.400 -0.009 0.000 2.429 155 D HA 0.143 4.783 4.640 0.000 0.000 0.253 155 D C 1.072 177.367 176.300 -0.008 0.000 1.294 155 D CA 0.224 54.219 54.000 -0.007 0.000 1.063 155 D CB 0.166 40.963 40.800 -0.005 0.000 1.096 155 D HN 0.554 nan 8.370 nan 0.000 0.516 156 E N 0.736 120.931 120.200 -0.009 0.000 2.265 156 E HA -0.176 4.174 4.350 0.000 0.000 0.196 156 E C 1.904 178.500 176.600 -0.007 0.000 0.996 156 E CA 1.348 57.743 56.400 -0.008 0.000 0.832 156 E CB 0.230 29.924 29.700 -0.009 0.000 0.756 156 E HN 0.604 nan 8.360 nan 0.000 0.491 157 T N -1.763 112.787 114.554 -0.006 0.000 2.809 157 T HA -0.067 4.283 4.350 0.000 0.000 0.260 157 T C 2.092 176.788 174.700 -0.006 0.000 1.039 157 T CA 0.779 62.875 62.100 -0.006 0.000 1.141 157 T CB -0.484 68.380 68.868 -0.005 0.000 0.869 157 T HN -0.026 nan 8.240 nan 0.000 0.437 158 V N 2.043 121.954 119.914 -0.005 0.000 2.490 158 V HA 0.011 4.131 4.120 0.000 0.000 0.250 158 V C 3.061 179.152 176.094 -0.006 0.000 1.061 158 V CA 1.744 64.042 62.300 -0.004 0.000 1.064 158 V CB -1.480 30.341 31.823 -0.002 0.000 0.670 158 V HN 0.716 nan 8.190 nan 0.000 0.461 159 G N -0.583 108.213 108.800 -0.007 0.000 2.421 159 G HA2 -0.297 3.663 3.960 0.000 0.000 0.216 159 G HA3 -0.297 3.663 3.960 0.000 0.000 0.216 159 G C 1.657 176.553 174.900 -0.008 0.000 1.171 159 G CA 1.013 46.109 45.100 -0.008 0.000 0.775 159 G HN 0.454 nan 8.290 nan 0.000 0.543 160 K N -0.542 119.854 120.400 -0.007 0.000 2.057 160 K HA -0.049 4.271 4.320 0.000 0.000 0.207 160 K C 2.523 179.119 176.600 -0.008 0.000 1.049 160 K CA 0.829 57.112 56.287 -0.007 0.000 0.931 160 K CB -0.215 32.281 32.500 -0.007 0.000 0.714 160 K HN 0.192 nan 8.250 nan 0.000 0.440 161 L N 1.403 122.622 121.223 -0.008 0.000 1.989 161 L HA -0.196 4.145 4.340 0.000 0.000 0.211 161 L C 2.214 179.077 176.870 -0.011 0.000 1.071 161 L CA 1.593 56.428 54.840 -0.009 0.000 0.749 161 L CB -0.580 41.474 42.059 -0.008 0.000 0.890 161 L HN 0.220 nan 8.230 nan 0.000 0.431 162 I N -1.059 119.504 120.570 -0.011 0.000 2.163 162 I HA -0.365 3.805 4.170 0.000 0.000 0.243 162 I C 2.561 178.670 176.117 -0.013 0.000 1.085 162 I CA 1.339 62.630 61.300 -0.014 0.000 1.347 162 I CB -0.528 37.464 38.000 -0.013 0.000 1.044 162 I HN 0.273 nan 8.210 nan 0.000 0.408 163 A N 0.364 123.177 122.820 -0.011 0.000 1.858 163 A HA -0.229 4.092 4.320 0.000 0.000 0.216 163 A C 2.212 179.790 177.584 -0.010 0.000 1.190 163 A CA 1.749 53.780 52.037 -0.010 0.000 0.617 163 A CB -0.648 18.347 19.000 -0.009 0.000 0.827 163 A HN 0.446 nan 8.150 nan 0.000 0.443 164 E N -0.446 119.748 120.200 -0.010 0.000 2.347 164 E HA 0.013 4.363 4.350 0.000 0.000 0.196 164 E C 2.157 178.750 176.600 -0.010 0.000 1.008 164 E CA 0.546 56.941 56.400 -0.009 0.000 0.852 164 E CB -0.173 29.522 29.700 -0.008 0.000 0.783 164 E HN 0.625 nan 8.360 nan 0.000 0.505 165 A N 1.193 124.006 122.820 -0.012 0.000 1.854 165 A HA -0.120 4.200 4.320 0.000 0.000 0.214 165 A C 2.145 179.720 177.584 -0.015 0.000 1.192 165 A CA 0.980 53.008 52.037 -0.015 0.000 0.611 165 A CB -0.310 18.680 19.000 -0.017 0.000 0.832 165 A HN 0.093 nan 8.150 nan 0.000 0.442 166 M N -0.968 118.623 119.600 -0.016 0.000 2.175 166 M HA -0.122 4.358 4.480 0.000 0.000 0.264 166 M C 1.474 177.766 176.300 -0.013 0.000 1.063 166 M CA 1.692 56.982 55.300 -0.016 0.000 1.119 166 M CB -0.477 32.112 32.600 -0.017 0.000 1.377 166 M HN 0.359 nan 8.290 nan 0.000 0.415 167 D N 0.310 120.704 120.400 -0.011 0.000 2.378 167 D HA -0.055 4.585 4.640 0.000 0.000 0.227 167 D C 1.638 177.932 176.300 -0.009 0.000 1.012 167 D CA 0.876 54.870 54.000 -0.009 0.000 0.905 167 D CB 0.308 41.103 40.800 -0.008 0.000 0.895 167 D HN 0.244 nan 8.370 nan 0.000 0.532 168 K N -1.176 119.218 120.400 -0.010 0.000 2.286 168 K HA 0.125 4.445 4.320 0.000 0.000 0.203 168 K C 1.546 178.140 176.600 -0.010 0.000 1.078 168 K CA 0.095 56.377 56.287 -0.009 0.000 0.957 168 K CB 0.347 32.842 32.500 -0.009 0.000 1.018 168 K HN -0.067 nan 8.250 nan 0.000 0.484 169 V N 0.812 120.719 119.914 -0.012 0.000 3.235 169 V HA 0.147 4.267 4.120 0.000 0.000 0.259 169 V C 0.305 176.391 176.094 -0.013 0.000 1.133 169 V CA 1.190 63.483 62.300 -0.013 0.000 1.128 169 V CB -0.046 31.768 31.823 -0.016 0.000 0.757 169 V HN 0.595 nan 8.190 nan 0.000 0.469 170 G N 0.001 108.793 108.800 -0.013 0.000 2.699 170 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 170 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 170 G C 0.185 175.076 174.900 -0.016 0.000 1.301 170 G CA 0.081 45.173 45.100 -0.013 0.000 0.816 170 G HN 0.264 nan 8.290 nan 0.000 0.595 171 K N 0.016 120.406 120.400 -0.016 0.000 2.057 171 K HA -0.084 4.236 4.320 0.000 0.000 0.207 171 K C 1.877 178.464 176.600 -0.022 0.000 1.049 171 K CA 1.792 58.068 56.287 -0.018 0.000 0.931 171 K CB 0.079 32.569 32.500 -0.015 0.000 0.714 171 K HN 0.420 nan 8.250 nan 0.000 0.440 172 E N 0.573 120.760 120.200 -0.021 0.000 2.444 172 E HA 0.080 4.430 4.350 0.000 0.000 0.191 172 E C 0.013 176.600 176.600 -0.023 0.000 1.041 172 E CA -0.246 56.140 56.400 -0.023 0.000 0.883 172 E CB 0.311 29.998 29.700 -0.022 0.000 1.024 172 E HN 0.286 nan 8.360 nan 0.000 0.470 173 G N -0.178 108.608 108.800 -0.023 0.000 2.527 173 G HA2 0.259 4.219 3.960 0.000 0.000 0.248 173 G HA3 0.259 4.219 3.960 0.000 0.000 0.248 173 G C -0.251 174.631 174.900 -0.029 0.000 1.231 173 G CA -0.557 44.530 45.100 -0.021 0.000 0.838 173 G HN 0.065 nan 8.290 nan 0.000 0.570 174 V N 2.080 121.977 119.914 -0.027 0.000 2.555 174 V HA 0.338 4.458 4.120 0.000 0.000 0.286 174 V C 0.383 176.454 176.094 -0.039 0.000 1.044 174 V CA 0.264 62.542 62.300 -0.036 0.000 1.026 174 V CB 0.481 32.286 31.823 -0.030 0.000 0.981 174 V HN 0.472 nan 8.190 nan 0.000 0.480 175 I N 4.548 125.088 120.570 -0.051 0.000 2.619 175 I HA 0.618 4.788 4.170 0.000 0.000 0.292 175 I C -0.031 176.053 176.117 -0.055 0.000 1.100 175 I CA -0.310 60.962 61.300 -0.047 0.000 1.043 175 I CB 2.591 40.563 38.000 -0.047 0.000 1.239 175 I HN 0.755 nan 8.210 nan 0.000 0.420 176 T N 1.900 116.430 114.554 -0.040 0.000 2.804 176 T HA 0.839 5.189 4.350 0.000 0.000 0.290 176 T C -0.977 173.712 174.700 -0.018 0.000 1.099 176 T CA -0.776 61.304 62.100 -0.032 0.000 1.011 176 T CB 2.102 70.950 68.868 -0.033 0.000 1.291 176 T HN 0.242 nan 8.240 nan 0.000 0.523 177 V N 0.725 120.635 119.914 -0.006 0.000 2.760 177 V HA 0.696 4.816 4.120 0.000 0.000 0.309 177 V C -0.720 175.375 176.094 0.002 0.000 1.077 177 V CA -0.775 61.526 62.300 0.002 0.000 0.910 177 V CB 1.622 33.454 31.823 0.015 0.000 1.008 177 V HN 1.037 nan 8.190 nan 0.000 0.424 178 E N 1.268 121.468 120.200 0.000 0.000 2.429 178 E HA 0.391 4.741 4.350 0.000 0.000 0.276 178 E C -1.549 175.051 176.600 0.000 0.000 0.953 178 E CA -1.010 55.389 56.400 -0.001 0.000 0.787 178 E CB 2.235 31.933 29.700 -0.005 0.000 1.307 178 E HN 0.682 nan 8.360 nan 0.000 0.458 179 D N 0.612 121.012 120.400 -0.000 0.000 2.368 179 D HA 0.182 4.823 4.640 0.000 0.000 0.240 179 D C 0.111 176.410 176.300 -0.003 0.000 1.169 179 D CA 0.329 54.329 54.000 -0.001 0.000 0.906 179 D CB 0.988 41.788 40.800 -0.001 0.000 1.187 179 D HN 0.454 nan 8.370 nan 0.000 0.435 180 G N -1.000 107.798 108.800 -0.002 0.000 2.502 180 G HA2 0.324 4.284 3.960 0.000 0.000 0.305 180 G HA3 0.324 4.284 3.960 0.000 0.000 0.305 180 G C 0.920 175.818 174.900 -0.004 0.000 1.190 180 G CA -0.283 44.815 45.100 -0.003 0.000 0.933 180 G HN 0.450 nan 8.290 nan 0.000 0.503 181 T N -3.174 111.378 114.554 -0.004 0.000 3.040 181 T HA 0.495 4.846 4.350 0.000 0.000 0.252 181 T C 1.153 175.850 174.700 -0.004 0.000 1.064 181 T CA 1.055 63.152 62.100 -0.005 0.000 1.110 181 T CB 0.249 69.114 68.868 -0.005 0.000 0.921 181 T HN 1.504 nan 8.240 nan 0.000 0.480 182 G N 0.891 109.689 108.800 -0.004 0.000 2.441 182 G HA2 0.359 4.319 3.960 0.000 0.000 0.225 182 G HA3 0.359 4.319 3.960 0.000 0.000 0.225 182 G C -0.933 173.965 174.900 -0.003 0.000 1.200 182 G CA -0.308 44.790 45.100 -0.003 0.000 0.947 182 G HN 0.168 nan 8.290 nan 0.000 0.484 183 L N 0.803 122.024 121.223 -0.003 0.000 2.737 183 L HA 0.396 4.736 4.340 0.000 0.000 0.246 183 L C 0.444 177.312 176.870 -0.003 0.000 1.153 183 L CA 0.718 55.556 54.840 -0.003 0.000 0.920 183 L CB -0.653 41.404 42.059 -0.003 0.000 1.090 183 L HN 0.361 nan 8.230 nan 0.000 0.430 184 Q N 0.066 119.864 119.800 -0.004 0.000 2.375 184 Q HA 0.262 4.602 4.340 0.000 0.000 0.271 184 Q C -0.982 175.015 176.000 -0.004 0.000 1.074 184 Q CA -0.557 55.243 55.803 -0.004 0.000 0.808 184 Q CB 2.083 30.818 28.738 -0.004 0.000 1.327 184 Q HN 0.227 nan 8.270 nan 0.000 0.441 185 D N 1.762 122.160 120.400 -0.004 0.000 2.382 185 D HA 0.144 4.784 4.640 0.000 0.000 0.240 185 D C -0.249 176.048 176.300 -0.005 0.000 1.146 185 D CA 0.488 54.486 54.000 -0.005 0.000 0.897 185 D CB 1.194 41.991 40.800 -0.005 0.000 1.197 185 D HN 0.361 nan 8.370 nan 0.000 0.432 186 E N 0.170 120.367 120.200 -0.006 0.000 2.433 186 E HA 0.666 5.016 4.350 0.000 0.000 0.273 186 E C -0.998 175.597 176.600 -0.007 0.000 0.950 186 E CA -0.832 55.564 56.400 -0.006 0.000 0.796 186 E CB 2.662 32.358 29.700 -0.006 0.000 1.330 186 E HN 0.181 nan 8.360 nan 0.000 0.455 187 L N 1.353 122.571 121.223 -0.008 0.000 2.513 187 L HA 0.437 4.777 4.340 0.000 0.000 0.261 187 L C -1.904 174.961 176.870 -0.009 0.000 0.945 187 L CA -0.409 54.426 54.840 -0.009 0.000 0.848 187 L CB 1.761 43.814 42.059 -0.009 0.000 1.334 187 L HN 0.547 nan 8.230 nan 0.000 0.407 188 D N 2.786 123.180 120.400 -0.010 0.000 2.570 188 D HA 0.667 5.308 4.640 0.000 0.000 0.244 188 D C -1.302 174.992 176.300 -0.011 0.000 1.178 188 D CA -0.192 53.802 54.000 -0.010 0.000 0.881 188 D CB 3.105 43.899 40.800 -0.010 0.000 1.453 188 D HN 0.306 nan 8.370 nan 0.000 0.447 189 V N -1.943 117.965 119.914 -0.010 0.000 2.841 189 V HA 0.902 5.022 4.120 0.000 0.000 0.310 189 V C -0.786 175.303 176.094 -0.008 0.000 1.090 189 V CA -0.659 61.635 62.300 -0.010 0.000 0.930 189 V CB 1.786 33.604 31.823 -0.009 0.000 1.014 189 V HN 0.426 nan 8.190 nan 0.000 0.425 190 V N 2.136 122.046 119.914 -0.008 0.000 3.167 190 V HA 0.529 4.649 4.120 0.000 0.000 0.293 190 V C -0.831 175.261 176.094 -0.003 0.000 1.379 190 V CA -0.470 61.827 62.300 -0.006 0.000 1.019 190 V CB 2.540 34.358 31.823 -0.008 0.000 1.115 190 V HN 1.182 nan 8.190 nan 0.000 0.442 191 E N 2.455 122.655 120.200 0.000 0.000 2.414 191 E HA 0.556 4.906 4.350 0.000 0.000 0.263 191 E C 0.380 176.984 176.600 0.007 0.000 1.000 191 E CA 1.161 57.565 56.400 0.006 0.000 0.914 191 E CB 0.940 30.645 29.700 0.008 0.000 0.948 191 E HN 1.129 nan 8.360 nan 0.000 0.444 192 G N 1.145 109.952 108.800 0.013 0.000 2.500 192 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 192 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 192 G C -1.526 173.393 174.900 0.033 0.000 1.242 192 G CA -0.815 44.294 45.100 0.014 0.000 0.859 192 G HN 0.441 nan 8.290 nan 0.000 0.481 193 M N 0.464 120.082 119.600 0.029 0.000 2.333 193 M HA 0.487 4.967 4.480 0.000 0.000 0.286 193 M C -1.914 174.369 176.300 -0.028 0.000 1.113 193 M CA -0.501 54.840 55.300 0.068 0.000 0.959 193 M CB 2.390 35.101 32.600 0.185 0.000 1.776 193 M HN 0.697 nan 8.290 nan 0.000 0.492 194 Q N 4.011 123.797 119.800 -0.023 0.000 2.337 194 Q HA 0.837 5.177 4.340 0.000 0.000 0.266 194 Q C -1.983 174.015 176.000 -0.004 0.000 1.023 194 Q CA -0.604 55.106 55.803 -0.156 0.000 0.829 194 Q CB 1.857 30.536 28.738 -0.098 0.000 1.306 194 Q HN 0.555 nan 8.270 nan 0.000 0.449 195 F N -0.212 119.738 119.950 0.000 0.000 2.678 195 F HA 0.420 4.947 4.527 0.000 0.000 0.308 195 F C -0.941 174.858 175.800 -0.003 0.000 1.118 195 F CA -1.270 56.731 58.000 0.002 0.000 0.959 195 F CB 0.958 39.966 39.000 0.014 0.000 1.305 195 F HN 0.335 nan 8.300 nan 0.000 0.443 196 D N 1.554 122.094 120.400 0.234 0.000 2.870 196 D HA 0.182 4.822 4.640 0.000 0.000 0.241 196 D C -0.105 176.271 176.300 0.126 0.000 1.234 196 D CA 0.129 54.197 54.000 0.113 0.000 0.844 196 D CB -0.205 40.638 40.800 0.072 0.000 1.051 196 D HN 0.308 nan 8.370 nan 0.000 0.469 197 R N -0.062 120.562 120.500 0.208 0.000 2.404 197 R HA 0.609 4.949 4.340 0.000 0.000 0.291 197 R C 0.924 177.228 176.300 0.007 0.000 1.025 197 R CA -0.385 55.805 56.100 0.150 0.000 0.991 197 R CB 1.246 31.720 30.300 0.289 0.000 1.053 197 R HN 0.076 nan 8.270 nan 0.000 0.479 198 G N 1.201 109.958 108.800 -0.072 0.000 2.557 198 G HA2 0.297 4.257 3.960 0.000 0.000 0.292 198 G HA3 0.297 4.257 3.960 0.000 0.000 0.292 198 G C -0.910 173.897 174.900 -0.154 0.000 1.237 198 G CA -0.598 44.330 45.100 -0.287 0.000 0.978 198 G HN 0.530 nan 8.290 nan 0.000 0.498 199 Y N -1.074 119.300 120.300 0.124 0.000 2.480 199 Y HA 0.305 4.855 4.550 0.000 0.000 0.338 199 Y C 1.204 177.196 175.900 0.155 0.000 1.220 199 Y CA -1.372 56.851 58.100 0.205 0.000 1.430 199 Y CB 0.230 38.871 38.460 0.302 0.000 1.311 199 Y HN 0.122 nan 8.280 nan 0.000 0.575 200 L N 1.309 122.779 121.223 0.411 0.000 2.551 200 L HA 0.044 4.384 4.340 0.000 0.000 0.228 200 L C 0.706 177.608 176.870 0.052 0.000 1.153 200 L CA 1.143 56.129 54.840 0.242 0.000 0.851 200 L CB -0.585 41.640 42.059 0.277 0.000 0.959 200 L HN 0.738 nan 8.230 nan 0.000 0.451 201 S N -2.341 113.249 115.700 -0.183 0.000 2.543 201 S HA 0.420 4.890 4.470 0.000 0.000 0.271 201 S C -2.214 172.015 174.600 -0.618 0.000 1.148 201 S CA -0.950 56.914 58.200 -0.560 0.000 0.914 201 S CB 1.585 64.139 63.200 -1.078 0.000 1.096 201 S HN -0.225 nan 8.310 nan 0.000 0.471 202 P HA -0.006 nan 4.420 nan 0.000 0.222 202 P C 0.412 177.358 177.300 -0.591 0.000 1.147 202 P CA 1.015 63.777 63.100 -0.563 0.000 0.790 202 P CB -0.121 31.270 31.700 -0.515 0.000 0.780 203 Y N -2.508 117.538 120.300 -0.424 0.000 2.680 203 Y HA -0.051 4.499 4.550 0.000 0.000 0.303 203 Y C 1.308 177.139 175.900 -0.115 0.000 1.166 203 Y CA -0.014 57.925 58.100 -0.269 0.000 1.344 203 Y CB -0.729 37.597 38.460 -0.223 0.000 1.002 203 Y HN -0.061 nan 8.280 nan 0.000 0.537 204 F N -0.701 119.181 119.950 -0.113 0.000 2.754 204 F HA 0.167 4.694 4.527 0.001 0.000 0.297 204 F C 0.912 176.571 175.800 -0.235 0.000 1.122 204 F CA -1.092 56.820 58.000 -0.146 0.000 1.400 204 F CB -0.710 38.208 39.000 -0.137 0.000 1.117 204 F HN -0.137 nan 8.300 nan 0.000 0.587 205 I N 2.403 122.850 120.570 -0.205 0.000 2.710 205 I HA -0.104 4.066 4.170 0.000 0.000 0.286 205 I C 1.069 177.155 176.117 -0.050 0.000 1.181 205 I CA 0.469 61.646 61.300 -0.205 0.000 1.430 205 I CB 0.472 38.319 38.000 -0.256 0.000 1.367 205 I HN 0.148 nan 8.210 nan 0.000 0.577 206 N N 4.032 122.725 118.700 -0.012 0.000 2.113 206 N HA 0.023 4.764 4.740 0.000 0.000 0.223 206 N C -0.442 175.076 175.510 0.014 0.000 1.310 206 N CA -0.179 52.876 53.050 0.010 0.000 0.896 206 N CB 0.564 39.063 38.487 0.021 0.000 1.097 206 N HN 0.219 nan 8.380 nan 0.000 0.507 207 K N 2.075 122.486 120.400 0.018 0.000 2.354 207 K HA 0.336 4.656 4.320 0.000 0.000 0.257 207 K C -1.921 174.686 176.600 0.012 0.000 1.062 207 K CA -1.713 54.585 56.287 0.019 0.000 0.971 207 K CB 2.238 34.757 32.500 0.031 0.000 1.305 207 K HN 0.107 nan 8.250 nan 0.000 0.449 208 P HA -0.095 nan 4.420 nan 0.000 0.218 208 P C 0.795 178.095 177.300 -0.001 0.000 1.152 208 P CA 0.900 63.999 63.100 -0.001 0.000 0.826 208 P CB 0.582 32.282 31.700 0.000 0.000 0.790 209 E N -0.406 119.795 120.200 0.002 0.000 2.204 209 E HA -0.069 4.281 4.350 0.000 0.000 0.194 209 E C 1.783 178.382 176.600 -0.003 0.000 0.989 209 E CA 1.334 57.733 56.400 -0.000 0.000 0.824 209 E CB -0.582 29.119 29.700 0.002 0.000 0.756 209 E HN 0.304 nan 8.360 nan 0.000 0.477 210 T N -1.273 113.282 114.554 0.002 0.000 3.010 210 T HA 0.150 4.500 4.350 0.000 0.000 0.252 210 T C 1.141 175.837 174.700 -0.007 0.000 1.047 210 T CA 0.815 62.915 62.100 -0.001 0.000 1.140 210 T CB 0.221 69.097 68.868 0.014 0.000 0.885 210 T HN 0.321 nan 8.240 nan 0.000 0.464 211 G N 1.598 110.404 108.800 0.010 0.000 2.291 211 G HA2 0.204 4.165 3.960 0.000 0.000 0.271 211 G HA3 0.204 4.165 3.960 0.000 0.000 0.271 211 G C -0.029 174.930 174.900 0.100 0.000 1.099 211 G CA -0.009 45.108 45.100 0.028 0.000 0.919 211 G HN 0.938 nan 8.290 nan 0.000 0.496 212 A N -1.763 121.126 122.820 0.114 0.000 2.524 212 A HA 0.981 5.302 4.320 0.000 0.000 0.303 212 A C -0.902 176.781 177.584 0.165 0.000 1.195 212 A CA -0.031 52.125 52.037 0.198 0.000 0.651 212 A CB 1.485 20.551 19.000 0.111 0.000 1.323 212 A HN 1.534 nan 8.150 nan 0.000 0.479 213 V N 0.745 120.778 119.914 0.198 0.000 2.709 213 V HA 0.529 4.650 4.120 0.000 0.000 0.308 213 V C -0.811 175.337 176.094 0.090 0.000 1.062 213 V CA -0.462 61.918 62.300 0.134 0.000 0.901 213 V CB 1.726 33.661 31.823 0.188 0.000 1.003 213 V HN 0.870 nan 8.190 nan 0.000 0.425 214 E N 4.366 124.599 120.200 0.055 0.000 2.212 214 E HA 0.757 5.107 4.350 0.000 0.000 0.268 214 E C -1.513 175.102 176.600 0.025 0.000 0.902 214 E CA -0.719 55.701 56.400 0.034 0.000 0.779 214 E CB 2.861 32.574 29.700 0.021 0.000 1.172 214 E HN 0.436 nan 8.360 nan 0.000 0.409 215 L N 2.414 123.646 121.223 0.015 0.000 2.436 215 L HA 0.348 4.688 4.340 0.000 0.000 0.268 215 L C -0.637 176.228 176.870 -0.008 0.000 0.974 215 L CA -0.988 53.855 54.840 0.005 0.000 0.826 215 L CB 1.908 43.971 42.059 0.006 0.000 1.291 215 L HN 0.413 nan 8.230 nan 0.000 0.406 216 E N 1.589 121.780 120.200 -0.015 0.000 2.197 216 E HA 0.255 4.605 4.350 0.000 0.000 0.281 216 E C 0.382 176.954 176.600 -0.046 0.000 0.995 216 E CA -0.251 56.133 56.400 -0.027 0.000 0.808 216 E CB 1.547 31.234 29.700 -0.022 0.000 1.093 216 E HN 0.667 nan 8.360 nan 0.000 0.394 217 S N 0.143 115.805 115.700 -0.063 0.000 3.631 217 S HA -0.142 4.328 4.470 0.000 0.000 0.366 217 S C -2.306 172.206 174.600 -0.147 0.000 0.993 217 S CA -0.006 58.130 58.200 -0.107 0.000 1.167 217 S CB -2.158 60.974 63.200 -0.114 0.000 0.909 217 S HN 0.367 nan 8.310 nan 0.000 0.478 218 P HA 0.514 nan 4.420 nan 0.000 0.274 218 P C 0.204 177.440 177.300 -0.106 0.000 1.231 218 P CA -0.501 62.561 63.100 -0.064 0.000 0.790 218 P CB 0.271 31.968 31.700 -0.004 0.000 0.951 219 F N 1.213 121.158 119.950 -0.007 0.000 2.429 219 F HA 0.298 4.825 4.527 0.000 0.000 0.348 219 F C 0.929 176.727 175.800 -0.004 0.000 1.109 219 F CA -0.024 57.973 58.000 -0.005 0.000 1.232 219 F CB 0.400 39.396 39.000 -0.007 0.000 1.157 219 F HN 0.032 nan 8.300 nan 0.000 0.564 220 I N 5.040 125.750 120.570 0.233 0.000 2.410 220 I HA 0.196 4.366 4.170 0.000 0.000 0.286 220 I C -1.100 175.079 176.117 0.103 0.000 1.009 220 I CA -0.688 60.690 61.300 0.130 0.000 1.111 220 I CB 1.595 39.656 38.000 0.103 0.000 1.262 220 I HN 0.289 nan 8.210 nan 0.000 0.443 221 L N 8.015 129.278 121.223 0.065 0.000 2.257 221 L HA 0.544 4.884 4.340 0.000 0.000 0.290 221 L C -0.887 176.004 176.870 0.035 0.000 1.044 221 L CA -0.348 54.511 54.840 0.033 0.000 0.810 221 L CB 1.105 43.170 42.059 0.009 0.000 1.193 221 L HN 0.548 nan 8.230 nan 0.000 0.425 222 L N 5.205 126.445 121.223 0.029 0.000 2.295 222 L HA 0.702 5.042 4.340 0.000 0.000 0.285 222 L C -0.031 176.846 176.870 0.013 0.000 1.035 222 L CA -0.511 54.345 54.840 0.025 0.000 0.806 222 L CB 1.661 43.735 42.059 0.025 0.000 1.214 222 L HN 0.741 nan 8.230 nan 0.000 0.426 223 A N 1.342 124.169 122.820 0.011 0.000 2.375 223 A HA 0.302 4.622 4.320 0.000 0.000 0.295 223 A C -0.010 177.574 177.584 0.001 0.000 1.066 223 A CA -0.512 51.529 52.037 0.006 0.000 0.722 223 A CB 1.326 20.333 19.000 0.011 0.000 1.206 223 A HN 0.809 nan 8.150 nan 0.000 0.435 224 D N 1.837 122.234 120.400 -0.004 0.000 2.348 224 D HA -0.046 4.594 4.640 0.000 0.000 0.216 224 D C 0.689 176.985 176.300 -0.007 0.000 0.970 224 D CA 1.403 55.397 54.000 -0.010 0.000 0.889 224 D CB 0.144 40.937 40.800 -0.012 0.000 0.912 224 D HN 0.653 nan 8.370 nan 0.000 0.524 225 K N -0.725 119.674 120.400 -0.000 0.000 2.340 225 K HA 0.462 4.782 4.320 0.000 0.000 0.244 225 K C -0.742 175.865 176.600 0.011 0.000 0.973 225 K CA -1.125 55.164 56.287 0.004 0.000 0.828 225 K CB 1.480 33.982 32.500 0.003 0.000 1.226 225 K HN -0.372 nan 8.250 nan 0.000 0.437 226 K N 1.615 122.024 120.400 0.014 0.000 2.412 226 K HA 0.173 4.493 4.320 0.000 0.000 0.281 226 K C -0.243 176.370 176.600 0.023 0.000 1.027 226 K CA -0.194 56.105 56.287 0.021 0.000 0.989 226 K CB 0.299 32.812 32.500 0.021 0.000 0.935 226 K HN 0.448 nan 8.250 nan 0.000 0.475 227 I N 3.269 123.857 120.570 0.030 0.000 2.312 227 I HA 0.033 4.203 4.170 0.000 0.000 0.291 227 I C 1.188 177.323 176.117 0.031 0.000 1.031 227 I CA 0.152 61.470 61.300 0.030 0.000 1.293 227 I CB 0.584 38.606 38.000 0.036 0.000 1.403 227 I HN 0.747 nan 8.210 nan 0.000 0.484 228 S N 4.983 120.698 115.700 0.024 0.000 2.398 228 S HA 0.073 4.543 4.470 0.000 0.000 0.220 228 S C 0.780 175.394 174.600 0.023 0.000 1.046 228 S CA -0.029 58.185 58.200 0.023 0.000 0.953 228 S CB 0.252 63.463 63.200 0.018 0.000 0.856 228 S HN 0.714 nan 8.310 nan 0.000 0.506 229 N N 0.526 119.238 118.700 0.019 0.000 2.404 229 N HA 0.303 5.044 4.740 0.000 0.000 0.297 229 N C 0.295 175.816 175.510 0.018 0.000 1.163 229 N CA -0.383 52.678 53.050 0.017 0.000 0.864 229 N CB 1.640 40.135 38.487 0.012 0.000 1.247 229 N HN 0.168 nan 8.380 nan 0.000 0.510 230 I N 1.024 121.604 120.570 0.017 0.000 3.291 230 I HA 0.032 4.202 4.170 0.000 0.000 0.279 230 I C 2.369 178.491 176.117 0.008 0.000 1.294 230 I CA 0.349 61.658 61.300 0.016 0.000 1.428 230 I CB -0.764 37.247 38.000 0.018 0.000 1.070 230 I HN 0.579 nan 8.210 nan 0.000 0.478 231 R N 1.977 122.480 120.500 0.005 0.000 2.162 231 R HA -0.321 4.019 4.340 0.000 0.000 0.245 231 R C 1.977 178.275 176.300 -0.003 0.000 1.129 231 R CA 2.620 58.720 56.100 0.000 0.000 0.940 231 R CB -0.409 29.891 30.300 0.001 0.000 0.875 231 R HN 0.369 nan 8.270 nan 0.000 0.437 232 E N -0.048 120.151 120.200 -0.001 0.000 2.187 232 E HA -0.212 4.138 4.350 0.000 0.000 0.199 232 E C 1.908 178.502 176.600 -0.010 0.000 1.004 232 E CA 2.143 58.540 56.400 -0.005 0.000 0.813 232 E CB -0.150 29.550 29.700 0.001 0.000 0.736 232 E HN 0.365 nan 8.360 nan 0.000 0.468 233 M N -0.944 118.652 119.600 -0.007 0.000 2.287 233 M HA 0.061 4.541 4.480 0.000 0.000 0.266 233 M C 1.814 178.102 176.300 -0.020 0.000 1.079 233 M CA 0.768 56.060 55.300 -0.013 0.000 1.146 233 M CB -0.134 32.464 32.600 -0.004 0.000 1.374 233 M HN 0.036 nan 8.290 nan 0.000 0.435 234 L N 0.418 121.633 121.223 -0.015 0.000 1.997 234 L HA -0.218 4.122 4.340 0.000 0.000 0.216 234 L C -0.338 176.518 176.870 -0.024 0.000 1.074 234 L CA 1.665 56.496 54.840 -0.015 0.000 0.763 234 L CB -2.392 39.661 42.059 -0.010 0.000 0.890 234 L HN 0.234 nan 8.230 nan 0.000 0.434 235 P HA -0.072 nan 4.420 nan 0.000 0.219 235 P C 1.798 179.065 177.300 -0.054 0.000 1.154 235 P CA 1.498 64.576 63.100 -0.036 0.000 0.826 235 P CB -0.130 31.550 31.700 -0.033 0.000 0.795 236 V N -2.053 117.821 119.914 -0.066 0.000 2.427 236 V HA -0.167 3.953 4.120 0.000 0.000 0.248 236 V C 2.520 178.552 176.094 -0.102 0.000 1.051 236 V CA 1.241 63.480 62.300 -0.103 0.000 1.048 236 V CB -2.027 29.729 31.823 -0.111 0.000 0.666 236 V HN -0.075 nan 8.190 nan 0.000 0.456 237 L N 0.990 122.174 121.223 -0.065 0.000 1.989 237 L HA -0.156 4.184 4.340 0.000 0.000 0.211 237 L C 2.629 179.475 176.870 -0.039 0.000 1.071 237 L CA 2.588 57.401 54.840 -0.046 0.000 0.749 237 L CB -0.965 41.078 42.059 -0.027 0.000 0.890 237 L HN 0.503 nan 8.230 nan 0.000 0.431 238 E N -0.765 119.414 120.200 -0.035 0.000 2.110 238 E HA -0.239 4.112 4.350 0.000 0.000 0.193 238 E C 1.995 178.574 176.600 -0.034 0.000 0.988 238 E CA 1.155 57.539 56.400 -0.027 0.000 0.804 238 E CB -0.076 29.610 29.700 -0.023 0.000 0.745 238 E HN 0.650 nan 8.360 nan 0.000 0.458 239 A N 0.766 123.551 122.820 -0.058 0.000 1.872 239 A HA -0.129 4.191 4.320 0.000 0.000 0.214 239 A C 2.408 179.945 177.584 -0.078 0.000 1.187 239 A CA 1.621 53.614 52.037 -0.073 0.000 0.614 239 A CB -0.806 18.129 19.000 -0.108 0.000 0.826 239 A HN 0.284 nan 8.150 nan 0.000 0.442 240 V N -2.359 117.486 119.914 -0.115 0.000 2.626 240 V HA -0.001 4.119 4.120 0.000 0.000 0.252 240 V C 2.456 178.585 176.094 0.058 0.000 1.067 240 V CA 1.671 63.938 62.300 -0.055 0.000 1.081 240 V CB -1.421 30.351 31.823 -0.086 0.000 0.686 240 V HN 0.491 nan 8.190 nan 0.000 0.468 241 A N 0.917 123.749 122.820 0.021 0.000 1.858 241 A HA -0.156 4.164 4.320 0.000 0.000 0.216 241 A C 2.292 179.894 177.584 0.030 0.000 1.190 241 A CA 2.064 54.117 52.037 0.028 0.000 0.617 241 A CB -0.611 18.395 19.000 0.011 0.000 0.827 241 A HN 0.580 nan 8.150 nan 0.000 0.443 242 K N -0.350 120.060 120.400 0.017 0.000 2.442 242 K HA 0.072 4.392 4.320 0.000 0.000 0.198 242 K C 1.676 178.297 176.600 0.035 0.000 1.042 242 K CA 0.691 56.989 56.287 0.018 0.000 0.958 242 K CB -0.149 32.354 32.500 0.004 0.000 0.766 242 K HN 0.465 nan 8.250 nan 0.000 0.474 243 A N 0.273 123.131 122.820 0.063 0.000 2.169 243 A HA 0.240 4.561 4.320 0.000 0.000 0.210 243 A C 1.246 178.898 177.584 0.114 0.000 1.168 243 A CA 0.623 52.725 52.037 0.109 0.000 0.813 243 A CB 0.138 19.252 19.000 0.190 0.000 0.861 243 A HN 0.308 nan 8.150 nan 0.000 0.481 244 G N -0.303 108.555 108.800 0.096 0.000 2.204 244 G HA2 -0.192 3.768 3.960 0.000 0.000 0.244 244 G HA3 -0.192 3.768 3.960 0.000 0.000 0.244 244 G C -0.150 174.790 174.900 0.065 0.000 1.062 244 G CA 0.424 45.563 45.100 0.065 0.000 0.798 244 G HN 0.551 nan 8.290 nan 0.000 0.496 245 K N -0.156 120.313 120.400 0.116 0.000 2.435 245 K HA 0.560 4.880 4.320 0.000 0.000 0.251 245 K C -2.568 174.099 176.600 0.111 0.000 0.954 245 K CA -2.138 54.198 56.287 0.082 0.000 0.820 245 K CB 2.424 34.930 32.500 0.010 0.000 1.292 245 K HN -0.016 nan 8.250 nan 0.000 0.436 246 P HA 0.062 nan 4.420 nan 0.000 0.271 246 P C -1.139 176.219 177.300 0.097 0.000 1.233 246 P CA -0.503 62.627 63.100 0.050 0.000 0.789 246 P CB 0.491 32.200 31.700 0.014 0.000 0.951 247 L N 2.440 123.694 121.223 0.052 0.000 2.406 247 L HA 0.450 4.790 4.340 0.000 0.000 0.272 247 L C -1.658 175.203 176.870 -0.014 0.000 0.980 247 L CA -0.711 54.161 54.840 0.054 0.000 0.831 247 L CB 1.435 43.512 42.059 0.030 0.000 1.253 247 L HN 0.284 nan 8.230 nan 0.000 0.406 248 L N 6.808 128.039 121.223 0.012 0.000 2.319 248 L HA 0.519 4.859 4.340 0.000 0.000 0.281 248 L C -0.722 176.155 176.870 0.012 0.000 1.005 248 L CA -0.429 54.405 54.840 -0.011 0.000 0.828 248 L CB 1.766 43.838 42.059 0.020 0.000 1.227 248 L HN 0.579 nan 8.230 nan 0.000 0.415 249 I N 6.216 126.778 120.570 -0.013 0.000 2.325 249 I HA 0.286 4.457 4.170 0.000 0.000 0.291 249 I C 0.100 176.254 176.117 0.061 0.000 1.019 249 I CA -0.273 61.039 61.300 0.019 0.000 1.302 249 I CB 1.266 39.268 38.000 0.004 0.000 1.401 249 I HN 0.450 nan 8.210 nan 0.000 0.485 250 I N 6.761 127.375 120.570 0.073 0.000 2.330 250 I HA 0.572 4.742 4.170 0.000 0.000 0.286 250 I C 0.172 176.319 176.117 0.050 0.000 1.025 250 I CA -0.112 61.240 61.300 0.087 0.000 1.197 250 I CB 0.987 39.051 38.000 0.106 0.000 1.358 250 I HN 0.627 nan 8.210 nan 0.000 0.467 251 A N 4.982 127.832 122.820 0.050 0.000 2.527 251 A HA 0.531 4.852 4.320 0.000 0.000 0.293 251 A C 0.732 178.334 177.584 0.030 0.000 1.117 251 A CA -0.547 51.511 52.037 0.035 0.000 0.723 251 A CB 1.478 20.504 19.000 0.043 0.000 1.313 251 A HN 0.579 nan 8.150 nan 0.000 0.411 252 E N 0.209 120.421 120.200 0.019 0.000 2.097 252 E HA -0.114 4.236 4.350 0.000 0.000 0.196 252 E C -0.206 176.414 176.600 0.033 0.000 1.000 252 E CA 1.894 58.304 56.400 0.017 0.000 0.804 252 E CB 0.082 29.790 29.700 0.013 0.000 0.740 252 E HN 0.642 nan 8.360 nan 0.000 0.454 253 D N -2.433 117.994 120.400 0.043 0.000 2.798 253 D HA 0.157 4.797 4.640 0.000 0.000 0.265 253 D C -1.824 174.512 176.300 0.060 0.000 1.223 253 D CA -0.407 53.626 54.000 0.054 0.000 0.743 253 D CB 1.434 42.261 40.800 0.045 0.000 1.276 253 D HN -0.231 nan 8.370 nan 0.000 0.421 254 V N 1.713 121.670 119.914 0.072 0.000 2.524 254 V HA 0.454 4.574 4.120 0.000 0.000 0.297 254 V C -0.101 176.033 176.094 0.067 0.000 1.035 254 V CA -0.801 61.544 62.300 0.075 0.000 0.867 254 V CB 1.476 33.362 31.823 0.104 0.000 1.004 254 V HN 0.534 nan 8.190 nan 0.000 0.426 255 E N 3.053 123.284 120.200 0.052 0.000 2.345 255 E HA 0.480 4.830 4.350 0.000 0.000 0.259 255 E C 1.342 177.968 176.600 0.043 0.000 1.117 255 E CA 0.356 56.782 56.400 0.043 0.000 0.913 255 E CB 1.526 31.246 29.700 0.034 0.000 1.057 255 E HN 0.697 nan 8.360 nan 0.000 0.432 256 G N 1.682 110.504 108.800 0.036 0.000 3.135 256 G HA2 -0.138 3.822 3.960 0.000 0.000 0.208 256 G HA3 -0.138 3.822 3.960 0.000 0.000 0.208 256 G C 0.756 175.674 174.900 0.029 0.000 1.212 256 G CA 0.674 45.794 45.100 0.034 0.000 0.928 256 G HN 0.615 nan 8.290 nan 0.000 0.500 257 E N -0.700 119.518 120.200 0.030 0.000 2.476 257 E HA 0.271 4.622 4.350 0.000 0.000 0.193 257 E C 2.582 179.201 176.600 0.032 0.000 0.966 257 E CA 0.438 56.853 56.400 0.025 0.000 1.114 257 E CB -0.174 29.539 29.700 0.021 0.000 1.151 257 E HN 0.139 nan 8.360 nan 0.000 0.487 258 A N 1.541 124.383 122.820 0.037 0.000 1.908 258 A HA -0.163 4.157 4.320 0.000 0.000 0.218 258 A C 2.155 179.780 177.584 0.068 0.000 1.181 258 A CA 1.455 53.520 52.037 0.047 0.000 0.627 258 A CB -0.713 18.314 19.000 0.046 0.000 0.818 258 A HN 0.381 nan 8.150 nan 0.000 0.445 259 L N -0.405 120.864 121.223 0.076 0.000 2.056 259 L HA -0.010 4.330 4.340 0.000 0.000 0.207 259 L C 2.712 179.631 176.870 0.082 0.000 1.078 259 L CA 2.107 57.007 54.840 0.101 0.000 0.749 259 L CB -0.843 41.270 42.059 0.091 0.000 0.901 259 L HN 0.348 nan 8.230 nan 0.000 0.433 260 A N -0.982 121.869 122.820 0.052 0.000 1.883 260 A HA -0.252 4.068 4.320 0.000 0.000 0.217 260 A C 2.346 179.943 177.584 0.022 0.000 1.186 260 A CA 2.683 54.738 52.037 0.030 0.000 0.624 260 A CB -1.440 17.572 19.000 0.020 0.000 0.822 260 A HN 0.613 nan 8.150 nan 0.000 0.444 261 T N -1.281 113.290 114.554 0.029 0.000 2.788 261 T HA -0.059 4.291 4.350 0.000 0.000 0.268 261 T C 1.823 176.547 174.700 0.040 0.000 1.044 261 T CA 1.423 63.537 62.100 0.024 0.000 1.139 261 T CB -0.561 68.320 68.868 0.022 0.000 0.867 261 T HN 0.284 nan 8.240 nan 0.000 0.454 262 L N 0.546 121.813 121.223 0.074 0.000 2.093 262 L HA -0.023 4.317 4.340 0.000 0.000 0.208 262 L C 2.938 179.899 176.870 0.151 0.000 1.085 262 L CA 0.684 55.596 54.840 0.119 0.000 0.755 262 L CB -0.596 41.566 42.059 0.171 0.000 0.904 262 L HN 0.166 nan 8.230 nan 0.000 0.435 263 V N -0.694 119.287 119.914 0.111 0.000 2.295 263 V HA -0.250 3.870 4.120 0.000 0.000 0.246 263 V C 2.421 178.473 176.094 -0.069 0.000 1.049 263 V CA 1.532 63.846 62.300 0.024 0.000 1.024 263 V CB -0.144 31.666 31.823 -0.021 0.000 0.648 263 V HN 0.182 nan 8.190 nan 0.000 0.447 264 V N 0.798 120.679 119.914 -0.056 0.000 2.332 264 V HA -0.281 3.839 4.120 0.000 0.000 0.248 264 V C 2.350 178.422 176.094 -0.037 0.000 1.055 264 V CA 2.438 64.698 62.300 -0.067 0.000 1.038 264 V CB -1.004 30.793 31.823 -0.043 0.000 0.651 264 V HN 0.705 nan 8.190 nan 0.000 0.450 265 N N 0.440 119.140 118.700 -0.000 0.000 2.223 265 N HA -0.165 4.575 4.740 0.000 0.000 0.185 265 N C 1.803 177.326 175.510 0.022 0.000 1.016 265 N CA 2.154 55.211 53.050 0.012 0.000 0.863 265 N CB -0.181 38.322 38.487 0.027 0.000 0.983 265 N HN 0.672 nan 8.380 nan 0.000 0.429 266 T N -1.629 112.952 114.554 0.045 0.000 2.814 266 T HA -0.018 4.333 4.350 0.000 0.000 0.254 266 T C 1.241 175.950 174.700 0.016 0.000 1.037 266 T CA 0.534 62.677 62.100 0.072 0.000 1.143 266 T CB -0.544 68.445 68.868 0.201 0.000 0.866 266 T HN 0.316 nan 8.240 nan 0.000 0.431 267 M N 1.362 120.923 119.600 -0.064 0.000 2.383 267 M HA 0.517 4.998 4.480 0.000 0.000 0.337 267 M C 0.722 176.972 176.300 -0.084 0.000 1.422 267 M CA -0.233 54.997 55.300 -0.117 0.000 1.333 267 M CB 0.202 32.605 32.600 -0.328 0.000 1.488 267 M HN 0.414 nan 8.290 nan 0.000 0.454 268 R N 1.726 122.202 120.500 -0.041 0.000 3.943 268 R HA -0.142 4.199 4.340 0.000 0.000 0.459 268 R C 0.515 176.801 176.300 -0.024 0.000 0.939 268 R CA 1.226 57.309 56.100 -0.029 0.000 1.515 268 R CB -1.814 28.464 30.300 -0.036 0.000 2.164 268 R HN 1.032 nan 8.270 nan 0.000 0.516 269 G N 0.059 108.843 108.800 -0.027 0.000 2.525 269 G HA2 0.307 4.267 3.960 0.000 0.000 0.276 269 G HA3 0.307 4.267 3.960 0.000 0.000 0.276 269 G C 1.127 176.024 174.900 -0.005 0.000 1.388 269 G CA 0.057 45.147 45.100 -0.016 0.000 1.050 269 G HN 0.136 nan 8.290 nan 0.000 0.520 270 I N -0.881 119.689 120.570 -0.001 0.000 2.130 270 I HA -0.035 4.136 4.170 0.000 0.000 0.232 270 I C 0.573 176.694 176.117 0.007 0.000 1.064 270 I CA 0.846 62.147 61.300 0.002 0.000 1.338 270 I CB -0.568 37.432 38.000 0.001 0.000 1.084 270 I HN -0.058 nan 8.210 nan 0.000 0.404 271 V N 1.729 121.650 119.914 0.010 0.000 2.427 271 V HA 0.223 4.344 4.120 0.000 0.000 0.286 271 V C -0.373 175.732 176.094 0.019 0.000 1.034 271 V CA -0.841 61.466 62.300 0.012 0.000 0.893 271 V CB 1.195 33.022 31.823 0.006 0.000 0.982 271 V HN 0.167 nan 8.190 nan 0.000 0.452 272 K N 4.068 124.479 120.400 0.018 0.000 2.312 272 K HA 0.601 4.922 4.320 0.000 0.000 0.287 272 K C -0.362 176.232 176.600 -0.011 0.000 1.062 272 K CA -0.024 56.276 56.287 0.023 0.000 0.934 272 K CB 1.140 33.656 32.500 0.026 0.000 1.027 272 K HN 0.708 nan 8.250 nan 0.000 0.478 273 V N -1.159 118.722 119.914 -0.056 0.000 3.226 273 V HA 0.959 5.079 4.120 0.000 0.000 0.304 273 V C -1.278 174.532 176.094 -0.474 0.000 1.336 273 V CA -1.177 61.021 62.300 -0.171 0.000 1.066 273 V CB 1.897 33.635 31.823 -0.142 0.000 1.087 273 V HN 0.664 nan 8.190 nan 0.000 0.451 274 A N 0.369 122.825 122.820 -0.606 0.000 2.566 274 A HA 1.113 5.433 4.320 0.000 0.000 0.292 274 A C -0.400 176.779 177.584 -0.676 0.000 1.112 274 A CA -0.392 50.985 52.037 -1.100 0.000 0.707 274 A CB 1.743 20.485 19.000 -0.430 0.000 1.302 274 A HN 2.725 nan 8.150 nan 0.000 0.409 275 A N -0.059 122.465 122.820 -0.494 0.000 2.486 275 A HA 0.799 5.119 4.320 0.000 0.000 0.300 275 A C -0.694 177.032 177.584 0.236 0.000 1.048 275 A CA 0.009 52.051 52.037 0.008 0.000 0.696 275 A CB 1.285 20.351 19.000 0.110 0.000 1.278 275 A HN 2.325 nan 8.150 nan 0.000 0.405 276 V N -0.962 119.066 119.914 0.191 0.000 3.007 276 V HA 0.711 4.831 4.120 0.000 0.000 0.311 276 V C -0.462 175.741 176.094 0.183 0.000 1.120 276 V CA -1.106 61.325 62.300 0.219 0.000 0.980 276 V CB 1.624 33.593 31.823 0.243 0.000 1.033 276 V HN 0.934 nan 8.190 nan 0.000 0.429 277 K N 1.773 122.274 120.400 0.169 0.000 2.185 277 K HA 0.752 5.072 4.320 0.000 0.000 0.271 277 K C 0.477 177.089 176.600 0.020 0.000 1.013 277 K CA 0.166 56.511 56.287 0.096 0.000 0.943 277 K CB 1.424 33.975 32.500 0.085 0.000 0.998 277 K HN 1.224 nan 8.250 nan 0.000 0.468 278 A N 4.256 127.057 122.820 -0.032 0.000 2.507 278 A HA 0.160 4.481 4.320 0.000 0.000 0.235 278 A C -2.112 175.312 177.584 -0.266 0.000 1.070 278 A CA -0.752 51.214 52.037 -0.118 0.000 0.768 278 A CB -0.484 18.478 19.000 -0.063 0.000 1.011 278 A HN 0.540 nan 8.150 nan 0.000 0.502 279 P HA 0.471 nan 4.420 nan 0.000 0.276 279 P C 0.735 177.919 177.300 -0.194 0.000 1.244 279 P CA 1.146 63.946 63.100 -0.501 0.000 0.801 279 P CB 0.969 32.340 31.700 -0.548 0.000 1.006 280 G N 1.574 110.319 108.800 -0.091 0.000 2.528 280 G HA2 -0.084 3.877 3.960 0.000 0.000 0.262 280 G HA3 -0.084 3.877 3.960 0.000 0.000 0.262 280 G C -0.844 174.193 174.900 0.228 0.000 1.200 280 G CA 0.263 45.419 45.100 0.092 0.000 0.951 280 G HN 0.833 nan 8.290 nan 0.000 0.566 281 F N -2.258 117.672 119.950 -0.033 0.000 2.688 281 F HA 0.672 5.199 4.527 0.000 0.000 0.308 281 F C 0.951 176.746 175.800 -0.007 0.000 1.117 281 F CA 0.455 58.446 58.000 -0.015 0.000 0.976 281 F CB 0.843 39.846 39.000 0.006 0.000 1.291 281 F HN 2.440 nan 8.300 nan 0.000 0.439 282 G N 2.578 111.353 108.800 -0.043 0.000 2.660 282 G HA2 -0.430 3.530 3.960 0.000 0.000 0.321 282 G HA3 -0.430 3.530 3.960 0.000 0.000 0.321 282 G C 0.404 175.185 174.900 -0.197 0.000 1.246 282 G CA 1.190 46.220 45.100 -0.117 0.000 1.000 282 G HN 0.949 nan 8.290 nan 0.000 0.550 283 D N 0.368 120.618 120.400 -0.251 0.000 2.123 283 D HA 0.098 4.738 4.640 0.000 0.000 0.200 283 D C 2.535 178.689 176.300 -0.243 0.000 0.976 283 D CA 1.256 55.136 54.000 -0.200 0.000 0.831 283 D CB -0.101 40.602 40.800 -0.163 0.000 0.974 283 D HN 0.268 nan 8.370 nan 0.000 0.469 284 R N 0.878 121.130 120.500 -0.413 0.000 2.200 284 R HA -0.081 4.259 4.340 0.000 0.000 0.234 284 R C 1.986 178.144 176.300 -0.237 0.000 1.127 284 R CA 0.800 56.681 56.100 -0.365 0.000 0.989 284 R CB -0.488 29.452 30.300 -0.600 0.000 0.869 284 R HN 0.371 nan 8.270 nan 0.000 0.459 285 R N 0.786 121.151 120.500 -0.224 0.000 2.117 285 R HA -0.169 4.172 4.340 0.000 0.000 0.243 285 R C 1.376 177.618 176.300 -0.096 0.000 1.143 285 R CA 1.802 57.825 56.100 -0.127 0.000 0.968 285 R CB -0.387 29.854 30.300 -0.099 0.000 0.863 285 R HN 0.144 nan 8.270 nan 0.000 0.444 286 K N 0.703 121.048 120.400 -0.092 0.000 2.057 286 K HA -0.035 4.285 4.320 0.000 0.000 0.207 286 K C 2.361 178.930 176.600 -0.052 0.000 1.049 286 K CA 1.401 57.650 56.287 -0.063 0.000 0.931 286 K CB -0.205 32.260 32.500 -0.059 0.000 0.714 286 K HN 0.326 nan 8.250 nan 0.000 0.440 287 A N 1.378 124.162 122.820 -0.059 0.000 1.933 287 A HA -0.144 4.176 4.320 0.000 0.000 0.218 287 A C 2.117 179.683 177.584 -0.031 0.000 1.175 287 A CA 1.509 53.521 52.037 -0.041 0.000 0.628 287 A CB -0.429 18.545 19.000 -0.043 0.000 0.814 287 A HN 0.189 nan 8.150 nan 0.000 0.444 288 M N -1.488 118.086 119.600 -0.042 0.000 2.349 288 M HA 0.008 4.489 4.480 0.000 0.000 0.266 288 M C 2.086 178.363 176.300 -0.037 0.000 1.076 288 M CA 0.781 56.060 55.300 -0.035 0.000 1.126 288 M CB -0.255 32.315 32.600 -0.050 0.000 1.392 288 M HN 0.420 nan 8.290 nan 0.000 0.440 289 L N 0.653 121.848 121.223 -0.046 0.000 2.046 289 L HA -0.204 4.136 4.340 0.000 0.000 0.208 289 L C 2.467 179.332 176.870 -0.008 0.000 1.077 289 L CA 1.898 56.720 54.840 -0.030 0.000 0.747 289 L CB -0.518 41.520 42.059 -0.035 0.000 0.896 289 L HN 0.240 nan 8.230 nan 0.000 0.432 290 Q N -0.623 119.170 119.800 -0.010 0.000 2.167 290 Q HA -0.183 4.158 4.340 0.000 0.000 0.202 290 Q C 1.737 177.741 176.000 0.007 0.000 0.970 290 Q CA 1.671 57.473 55.803 -0.001 0.000 0.855 290 Q CB -0.141 28.593 28.738 -0.007 0.000 0.911 290 Q HN 0.519 nan 8.270 nan 0.000 0.438 291 D N -0.064 120.340 120.400 0.008 0.000 2.104 291 D HA -0.164 4.476 4.640 0.000 0.000 0.194 291 D C 1.794 178.113 176.300 0.032 0.000 0.994 291 D CA 1.377 55.388 54.000 0.019 0.000 0.830 291 D CB -0.197 40.615 40.800 0.021 0.000 0.959 291 D HN 0.366 nan 8.370 nan 0.000 0.452 292 I N 1.119 121.713 120.570 0.040 0.000 2.226 292 I HA -0.245 3.925 4.170 0.000 0.000 0.245 292 I C 2.463 178.609 176.117 0.048 0.000 1.100 292 I CA 0.992 62.329 61.300 0.061 0.000 1.374 292 I CB -0.233 37.816 38.000 0.082 0.000 1.057 292 I HN -0.074 nan 8.210 nan 0.000 0.413 293 A N 0.453 123.294 122.820 0.035 0.000 1.930 293 A HA -0.169 4.151 4.320 0.000 0.000 0.217 293 A C 2.367 179.968 177.584 0.029 0.000 1.175 293 A CA 2.278 54.334 52.037 0.032 0.000 0.627 293 A CB -0.951 18.062 19.000 0.022 0.000 0.815 293 A HN 0.397 nan 8.150 nan 0.000 0.443 294 T N 0.115 114.684 114.554 0.024 0.000 2.812 294 T HA -0.095 4.255 4.350 0.000 0.000 0.264 294 T C 1.837 176.551 174.700 0.023 0.000 1.042 294 T CA 1.323 63.436 62.100 0.021 0.000 1.140 294 T CB -0.377 68.500 68.868 0.016 0.000 0.870 294 T HN 0.334 nan 8.240 nan 0.000 0.445 295 L N 2.163 123.403 121.223 0.028 0.000 2.042 295 L HA -0.102 4.239 4.340 0.000 0.000 0.210 295 L C 2.392 179.278 176.870 0.027 0.000 1.076 295 L CA 2.281 57.138 54.840 0.028 0.000 0.749 295 L CB -1.006 41.075 42.059 0.037 0.000 0.893 295 L HN 0.429 nan 8.230 nan 0.000 0.432 296 T N -4.221 110.354 114.554 0.035 0.000 3.040 296 T HA 0.371 4.721 4.350 0.000 0.000 0.250 296 T C 1.298 176.021 174.700 0.040 0.000 1.058 296 T CA 0.223 62.345 62.100 0.037 0.000 0.988 296 T CB -0.101 68.797 68.868 0.050 0.000 0.993 296 T HN 0.712 nan 8.240 nan 0.000 0.519 297 G N 0.723 109.545 108.800 0.036 0.000 2.182 297 G HA2 0.024 3.984 3.960 0.000 0.000 0.248 297 G HA3 0.024 3.984 3.960 0.000 0.000 0.248 297 G C 0.271 175.201 174.900 0.049 0.000 1.042 297 G CA -0.296 44.827 45.100 0.039 0.000 0.775 297 G HN 1.016 nan 8.290 nan 0.000 0.501 298 G N -0.935 107.893 108.800 0.046 0.000 2.437 298 G HA2 0.676 4.636 3.960 0.000 0.000 0.319 298 G HA3 0.676 4.636 3.960 0.000 0.000 0.319 298 G C 0.099 175.016 174.900 0.030 0.000 1.158 298 G CA 0.230 45.358 45.100 0.046 0.000 0.899 298 G HN 0.483 nan 8.290 nan 0.000 0.502 299 T N 0.311 114.879 114.554 0.023 0.000 2.897 299 T HA 0.343 4.693 4.350 0.000 0.000 0.294 299 T C 0.639 175.346 174.700 0.010 0.000 1.004 299 T CA -0.175 61.933 62.100 0.013 0.000 1.106 299 T CB 1.359 70.231 68.868 0.007 0.000 0.949 299 T HN 0.772 nan 8.240 nan 0.000 0.520 300 V N 1.732 121.649 119.914 0.005 0.000 2.284 300 V HA 0.455 4.575 4.120 0.000 0.000 0.260 300 V C -0.062 176.030 176.094 -0.002 0.000 1.084 300 V CA -0.916 61.385 62.300 0.001 0.000 0.894 300 V CB -0.700 31.122 31.823 -0.003 0.000 1.119 300 V HN 0.671 nan 8.190 nan 0.000 0.484 301 I N 4.558 125.127 120.570 -0.002 0.000 2.460 301 I HA 0.211 4.381 4.170 0.000 0.000 0.297 301 I C 0.782 176.896 176.117 -0.006 0.000 1.139 301 I CA 1.270 62.568 61.300 -0.004 0.000 1.340 301 I CB -0.175 37.822 38.000 -0.005 0.000 1.444 301 I HN 0.640 nan 8.210 nan 0.000 0.557 302 S N 5.073 120.769 115.700 -0.007 0.000 2.473 302 S HA 0.310 4.780 4.470 0.000 0.000 0.307 302 S C 0.912 175.507 174.600 -0.009 0.000 1.094 302 S CA -0.757 57.437 58.200 -0.009 0.000 1.070 302 S CB 1.944 65.137 63.200 -0.012 0.000 1.019 302 S HN 0.491 nan 8.310 nan 0.000 0.480 303 E N 1.792 121.987 120.200 -0.008 0.000 2.347 303 E HA -0.103 4.248 4.350 0.000 0.000 0.196 303 E C 0.663 177.259 176.600 -0.007 0.000 1.008 303 E CA 0.887 57.283 56.400 -0.007 0.000 0.852 303 E CB 0.141 29.838 29.700 -0.006 0.000 0.783 303 E HN 0.638 nan 8.360 nan 0.000 0.505 304 E N -0.153 120.042 120.200 -0.009 0.000 2.435 304 E HA 0.032 4.383 4.350 0.000 0.000 0.195 304 E C 1.735 178.330 176.600 -0.008 0.000 1.029 304 E CA 0.272 56.667 56.400 -0.009 0.000 0.865 304 E CB 0.081 29.774 29.700 -0.011 0.000 0.833 304 E HN 0.268 nan 8.360 nan 0.000 0.510 305 I N -0.640 119.925 120.570 -0.008 0.000 2.867 305 I HA 0.124 4.294 4.170 0.000 0.000 0.265 305 I C 1.554 177.667 176.117 -0.006 0.000 1.162 305 I CA 0.546 61.842 61.300 -0.007 0.000 1.471 305 I CB -0.013 37.983 38.000 -0.007 0.000 1.123 305 I HN 0.281 nan 8.210 nan 0.000 0.440 306 G N 2.399 111.196 108.800 -0.006 0.000 2.162 306 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 306 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 306 G C 0.525 175.421 174.900 -0.006 0.000 0.976 306 G CA 0.426 45.522 45.100 -0.006 0.000 0.655 306 G HN 0.467 nan 8.290 nan 0.000 0.533 307 M N -0.681 118.915 119.600 -0.006 0.000 2.252 307 M HA 0.708 5.188 4.480 0.000 0.000 0.333 307 M C 0.112 176.408 176.300 -0.008 0.000 1.111 307 M CA 0.570 55.865 55.300 -0.007 0.000 1.140 307 M CB 0.830 33.426 32.600 -0.007 0.000 1.538 307 M HN 0.147 nan 8.290 nan 0.000 0.448 308 E N 1.876 122.071 120.200 -0.009 0.000 2.430 308 E HA 0.353 4.703 4.350 0.000 0.000 0.279 308 E C -0.511 176.081 176.600 -0.013 0.000 1.003 308 E CA -0.564 55.831 56.400 -0.009 0.000 0.801 308 E CB 2.133 31.828 29.700 -0.008 0.000 1.313 308 E HN 0.984 nan 8.360 nan 0.000 0.459 309 L N 0.945 122.160 121.223 -0.013 0.000 2.202 309 L HA 0.100 4.440 4.340 0.000 0.000 0.205 309 L C 2.255 179.111 176.870 -0.024 0.000 1.083 309 L CA 0.481 55.309 54.840 -0.019 0.000 0.790 309 L CB -0.121 41.929 42.059 -0.014 0.000 0.942 309 L HN 0.604 nan 8.230 nan 0.000 0.452 310 E N 1.023 121.212 120.200 -0.018 0.000 2.265 310 E HA -0.222 4.128 4.350 0.000 0.000 0.196 310 E C 1.230 177.817 176.600 -0.021 0.000 0.996 310 E CA 1.070 57.459 56.400 -0.019 0.000 0.832 310 E CB 0.299 29.991 29.700 -0.013 0.000 0.756 310 E HN 0.238 nan 8.360 nan 0.000 0.491 311 K N -0.187 120.202 120.400 -0.020 0.000 2.374 311 K HA 0.234 4.555 4.320 0.000 0.000 0.196 311 K C 0.061 176.647 176.600 -0.024 0.000 1.023 311 K CA 0.194 56.470 56.287 -0.019 0.000 1.103 311 K CB 0.990 33.482 32.500 -0.014 0.000 0.848 311 K HN 0.077 nan 8.250 nan 0.000 0.528 312 A N 0.156 122.957 122.820 -0.031 0.000 2.257 312 A HA 0.627 4.947 4.320 0.000 0.000 0.289 312 A C -0.019 177.534 177.584 -0.052 0.000 1.095 312 A CA -0.274 51.740 52.037 -0.038 0.000 0.836 312 A CB 0.506 19.481 19.000 -0.041 0.000 1.111 312 A HN 0.166 nan 8.150 nan 0.000 0.497 313 T N 0.222 114.740 114.554 -0.060 0.000 2.926 313 T HA 0.431 4.782 4.350 0.000 0.000 0.289 313 T C 1.134 175.761 174.700 -0.121 0.000 1.054 313 T CA -0.533 61.521 62.100 -0.077 0.000 1.015 313 T CB 1.025 69.863 68.868 -0.049 0.000 1.167 313 T HN 0.343 nan 8.240 nan 0.000 0.526 314 L N 0.900 122.021 121.223 -0.169 0.000 2.051 314 L HA -0.201 4.140 4.340 0.000 0.000 0.214 314 L C 2.620 179.382 176.870 -0.181 0.000 1.076 314 L CA 1.912 56.566 54.840 -0.310 0.000 0.758 314 L CB -1.169 40.732 42.059 -0.263 0.000 0.890 314 L HN 0.861 nan 8.230 nan 0.000 0.433 315 E N -0.789 119.382 120.200 -0.048 0.000 2.209 315 E HA -0.246 4.104 4.350 0.000 0.000 0.196 315 E C 1.401 178.016 176.600 0.025 0.000 0.993 315 E CA 1.524 57.939 56.400 0.024 0.000 0.819 315 E CB -0.487 29.223 29.700 0.017 0.000 0.745 315 E HN 0.549 nan 8.360 nan 0.000 0.477 316 D N 0.497 120.889 120.400 -0.013 0.000 2.234 316 D HA 0.001 4.641 4.640 0.000 0.000 0.205 316 D C 0.443 176.752 176.300 0.016 0.000 0.962 316 D CA 0.378 54.377 54.000 -0.003 0.000 0.855 316 D CB 0.087 40.874 40.800 -0.021 0.000 0.951 316 D HN 0.132 nan 8.370 nan 0.000 0.500 317 L N 0.791 122.019 121.223 0.007 0.000 2.467 317 L HA 0.205 4.545 4.340 0.000 0.000 0.270 317 L C 1.469 178.434 176.870 0.158 0.000 1.205 317 L CA 0.201 55.082 54.840 0.067 0.000 0.828 317 L CB 0.466 42.533 42.059 0.014 0.000 1.101 317 L HN -0.163 nan 8.230 nan 0.000 0.479 318 G N 0.760 109.648 108.800 0.147 0.000 2.537 318 G HA2 0.512 4.473 3.960 0.000 0.000 0.273 318 G HA3 0.512 4.473 3.960 0.000 0.000 0.273 318 G C -0.828 174.165 174.900 0.154 0.000 1.189 318 G CA -0.388 44.788 45.100 0.128 0.000 0.881 318 G HN 0.559 nan 8.290 nan 0.000 0.535 319 Q N -1.166 118.674 119.800 0.067 0.000 2.389 319 Q HA 0.618 4.958 4.340 0.000 0.000 0.277 319 Q C -0.757 175.229 176.000 -0.024 0.000 1.082 319 Q CA -0.806 54.983 55.803 -0.023 0.000 0.810 319 Q CB 2.618 31.286 28.738 -0.116 0.000 1.374 319 Q HN 0.789 nan 8.270 nan 0.000 0.422 320 A N 0.987 123.780 122.820 -0.045 0.000 2.515 320 A HA 0.442 4.763 4.320 0.000 0.000 0.296 320 A C -0.226 177.326 177.584 -0.054 0.000 1.094 320 A CA -0.637 51.379 52.037 -0.034 0.000 0.718 320 A CB 1.352 20.344 19.000 -0.013 0.000 1.307 320 A HN 0.764 nan 8.150 nan 0.000 0.408 321 K N -0.254 120.120 120.400 -0.043 0.000 2.155 321 K HA 0.031 4.351 4.320 0.000 0.000 0.203 321 K C 0.569 177.145 176.600 -0.041 0.000 1.052 321 K CA 1.112 57.371 56.287 -0.046 0.000 0.948 321 K CB 0.115 32.593 32.500 -0.036 0.000 0.728 321 K HN 0.556 nan 8.250 nan 0.000 0.448 322 R N -0.510 119.971 120.500 -0.032 0.000 2.710 322 R HA 0.401 4.741 4.340 0.000 0.000 0.270 322 R C -1.980 174.306 176.300 -0.023 0.000 1.021 322 R CA -0.541 55.543 56.100 -0.026 0.000 0.889 322 R CB 2.655 32.942 30.300 -0.021 0.000 1.243 322 R HN -0.128 nan 8.270 nan 0.000 0.464 323 V N 2.907 122.811 119.914 -0.018 0.000 2.841 323 V HA 0.781 4.901 4.120 0.000 0.000 0.310 323 V C -1.323 174.766 176.094 -0.010 0.000 1.090 323 V CA -0.481 61.807 62.300 -0.019 0.000 0.930 323 V CB 2.162 33.979 31.823 -0.010 0.000 1.014 323 V HN 0.580 nan 8.190 nan 0.000 0.425 324 V N 4.535 124.437 119.914 -0.020 0.000 2.789 324 V HA 0.862 4.983 4.120 0.000 0.000 0.311 324 V C -1.158 174.933 176.094 -0.006 0.000 1.073 324 V CA -0.661 61.641 62.300 0.004 0.000 0.921 324 V CB 1.811 33.638 31.823 0.007 0.000 1.009 324 V HN 0.775 nan 8.190 nan 0.000 0.426 325 I N 4.257 124.858 120.570 0.051 0.000 2.722 325 I HA 0.692 4.862 4.170 0.000 0.000 0.295 325 I C -0.325 175.833 176.117 0.069 0.000 1.161 325 I CA -0.212 61.108 61.300 0.033 0.000 1.032 325 I CB 2.299 40.377 38.000 0.130 0.000 1.244 325 I HN 1.023 nan 8.210 nan 0.000 0.421 326 N N 3.781 122.393 118.700 -0.146 0.000 3.513 326 N HA 0.319 5.060 4.740 0.000 0.000 0.351 326 N C 0.675 175.833 175.510 -0.586 0.000 1.624 326 N CA -0.737 52.213 53.050 -0.166 0.000 0.712 326 N CB 0.522 38.982 38.487 -0.045 0.000 2.106 326 N HN 0.520 nan 8.380 nan 0.000 0.649 327 K N -0.557 119.680 120.400 -0.270 0.000 2.107 327 K HA -0.225 4.096 4.320 0.000 0.000 0.211 327 K C -0.456 176.020 176.600 -0.207 0.000 1.049 327 K CA 2.823 58.984 56.287 -0.210 0.000 0.927 327 K CB -0.303 32.134 32.500 -0.105 0.000 0.714 327 K HN 0.753 nan 8.250 nan 0.000 0.452 328 D N -2.420 117.891 120.400 -0.148 0.000 2.640 328 D HA 0.105 4.746 4.640 0.000 0.000 0.282 328 D C -0.811 175.477 176.300 -0.019 0.000 1.558 328 D CA -0.417 53.551 54.000 -0.053 0.000 0.820 328 D CB 0.599 41.401 40.800 0.002 0.000 1.243 328 D HN -0.060 nan 8.370 nan 0.000 0.456 329 T N -0.219 114.295 114.554 -0.066 0.000 3.097 329 T HA 0.549 4.899 4.350 0.000 0.000 0.332 329 T C -1.228 173.379 174.700 -0.155 0.000 1.269 329 T CA -0.388 61.667 62.100 -0.075 0.000 1.076 329 T CB 2.203 71.059 68.868 -0.021 0.000 1.209 329 T HN -0.114 nan 8.240 nan 0.000 0.474 330 T N 2.150 116.543 114.554 -0.268 0.000 2.829 330 T HA 0.779 5.129 4.350 0.000 0.000 0.280 330 T C -0.681 173.681 174.700 -0.563 0.000 0.999 330 T CA -0.554 61.304 62.100 -0.402 0.000 0.983 330 T CB 1.792 70.351 68.868 -0.516 0.000 0.968 330 T HN 0.611 nan 8.240 nan 0.000 0.446 331 T N 2.880 117.216 114.554 -0.364 0.000 3.172 331 T HA 0.568 4.919 4.350 0.000 0.000 0.320 331 T C -1.242 173.359 174.700 -0.165 0.000 1.085 331 T CA -0.734 61.193 62.100 -0.287 0.000 1.052 331 T CB 0.265 69.022 68.868 -0.186 0.000 1.107 331 T HN 0.605 nan 8.240 nan 0.000 0.458 332 I N 3.429 123.924 120.570 -0.126 0.000 2.377 332 I HA 0.730 4.900 4.170 0.000 0.000 0.293 332 I C -0.800 175.298 176.117 -0.032 0.000 0.987 332 I CA -1.082 60.187 61.300 -0.051 0.000 1.185 332 I CB 1.538 39.534 38.000 -0.006 0.000 1.341 332 I HN 0.498 nan 8.210 nan 0.000 0.455 333 I N 4.739 125.294 120.570 -0.025 0.000 2.447 333 I HA 0.328 4.498 4.170 0.000 0.000 0.287 333 I C -0.725 175.382 176.117 -0.017 0.000 1.023 333 I CA -0.484 60.803 61.300 -0.022 0.000 1.083 333 I CB 1.566 39.551 38.000 -0.025 0.000 1.245 333 I HN 0.742 nan 8.210 nan 0.000 0.434 334 D N 5.196 125.589 120.400 -0.012 0.000 3.437 334 D HA -0.113 4.527 4.640 0.000 0.000 0.243 334 D C 0.165 176.459 176.300 -0.010 0.000 1.104 334 D CA 0.759 54.752 54.000 -0.011 0.000 1.009 334 D CB -0.125 40.666 40.800 -0.015 0.000 0.937 334 D HN 0.882 nan 8.370 nan 0.000 0.417 335 G N 1.192 109.991 108.800 -0.002 0.000 2.365 335 G HA2 0.348 4.308 3.960 0.000 0.000 0.249 335 G HA3 0.348 4.308 3.960 0.000 0.000 0.249 335 G C 1.325 176.225 174.900 -0.001 0.000 1.288 335 G CA -0.342 44.760 45.100 0.003 0.000 0.887 335 G HN 0.350 nan 8.290 nan 0.000 0.524 336 V N 3.205 123.116 119.914 -0.005 0.000 3.636 336 V HA 0.091 4.211 4.120 0.000 0.000 0.279 336 V C 1.950 178.046 176.094 0.004 0.000 1.263 336 V CA 0.479 62.773 62.300 -0.009 0.000 1.182 336 V CB -0.992 30.815 31.823 -0.028 0.000 0.955 336 V HN 0.777 nan 8.190 nan 0.000 0.443 337 G N 0.207 109.013 108.800 0.011 0.000 2.554 337 G HA2 0.149 4.109 3.960 0.000 0.000 0.238 337 G HA3 0.149 4.109 3.960 0.000 0.000 0.238 337 G C 0.008 174.914 174.900 0.009 0.000 1.259 337 G CA -0.318 44.791 45.100 0.014 0.000 0.843 337 G HN 0.268 nan 8.290 nan 0.000 0.582 338 E N 0.661 120.867 120.200 0.010 0.000 2.384 338 E HA 0.000 4.350 4.350 0.000 0.000 0.266 338 E C 1.197 177.800 176.600 0.006 0.000 1.012 338 E CA -0.268 56.137 56.400 0.007 0.000 0.901 338 E CB 1.004 30.708 29.700 0.008 0.000 0.967 338 E HN 0.512 nan 8.360 nan 0.000 0.435 339 E N 2.201 122.403 120.200 0.004 0.000 2.085 339 E HA -0.198 4.152 4.350 0.000 0.000 0.194 339 E C 1.670 178.273 176.600 0.004 0.000 0.994 339 E CA 1.335 57.737 56.400 0.003 0.000 0.801 339 E CB -0.144 29.556 29.700 0.002 0.000 0.743 339 E HN 0.572 nan 8.360 nan 0.000 0.453 340 A N 1.238 124.061 122.820 0.004 0.000 1.969 340 A HA -0.001 4.319 4.320 0.000 0.000 0.218 340 A C 2.367 179.954 177.584 0.005 0.000 1.169 340 A CA 1.735 53.774 52.037 0.004 0.000 0.635 340 A CB -0.360 18.642 19.000 0.004 0.000 0.810 340 A HN 0.256 nan 8.150 nan 0.000 0.445 341 A N -0.110 122.714 122.820 0.007 0.000 1.929 341 A HA 0.044 4.364 4.320 0.000 0.000 0.216 341 A C 2.064 179.654 177.584 0.009 0.000 1.176 341 A CA 1.252 53.294 52.037 0.008 0.000 0.628 341 A CB -0.480 18.526 19.000 0.009 0.000 0.816 341 A HN 0.475 nan 8.150 nan 0.000 0.444 342 I N -0.486 120.089 120.570 0.009 0.000 2.202 342 I HA -0.243 3.927 4.170 0.000 0.000 0.242 342 I C 2.581 178.703 176.117 0.008 0.000 1.091 342 I CA 1.051 62.357 61.300 0.010 0.000 1.368 342 I CB -0.339 37.667 38.000 0.010 0.000 1.058 342 I HN 0.249 nan 8.210 nan 0.000 0.410 343 Q N 0.840 120.644 119.800 0.007 0.000 2.084 343 Q HA -0.127 4.214 4.340 0.000 0.000 0.202 343 Q C 2.340 178.343 176.000 0.006 0.000 0.978 343 Q CA 1.772 57.578 55.803 0.006 0.000 0.844 343 Q CB -1.251 27.489 28.738 0.004 0.000 0.898 343 Q HN 0.580 nan 8.270 nan 0.000 0.426 344 G N 0.619 109.422 108.800 0.006 0.000 2.440 344 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 344 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 344 G C 1.700 176.604 174.900 0.006 0.000 1.154 344 G CA 1.013 46.117 45.100 0.006 0.000 0.767 344 G HN 0.256 nan 8.290 nan 0.000 0.552 345 R N 0.183 120.688 120.500 0.008 0.000 2.075 345 R HA 0.029 4.370 4.340 0.000 0.000 0.232 345 R C 2.692 178.998 176.300 0.009 0.000 1.126 345 R CA 1.201 57.306 56.100 0.009 0.000 0.963 345 R CB -0.892 29.415 30.300 0.011 0.000 0.858 345 R HN 0.234 nan 8.270 nan 0.000 0.435 346 V N 0.728 120.647 119.914 0.009 0.000 2.287 346 V HA -0.255 3.865 4.120 0.000 0.000 0.248 346 V C 2.345 178.443 176.094 0.007 0.000 1.053 346 V CA 2.064 64.369 62.300 0.008 0.000 1.027 346 V CB -1.049 30.778 31.823 0.007 0.000 0.646 346 V HN 0.505 nan 8.190 nan 0.000 0.447 347 A N -0.860 121.963 122.820 0.006 0.000 1.933 347 A HA -0.291 4.029 4.320 0.000 0.000 0.218 347 A C 2.176 179.763 177.584 0.006 0.000 1.175 347 A CA 1.946 53.986 52.037 0.005 0.000 0.628 347 A CB -0.508 18.494 19.000 0.005 0.000 0.814 347 A HN 0.632 nan 8.150 nan 0.000 0.444 348 Q N -0.504 119.300 119.800 0.006 0.000 2.135 348 Q HA -0.110 4.231 4.340 0.000 0.000 0.204 348 Q C 1.922 177.925 176.000 0.006 0.000 0.981 348 Q CA 1.622 57.428 55.803 0.005 0.000 0.856 348 Q CB -0.322 28.419 28.738 0.005 0.000 0.902 348 Q HN 0.768 nan 8.270 nan 0.000 0.425 349 I N 0.167 120.741 120.570 0.007 0.000 2.353 349 I HA -0.215 3.956 4.170 0.000 0.000 0.248 349 I C 2.036 178.158 176.117 0.008 0.000 1.119 349 I CA 0.523 61.828 61.300 0.009 0.000 1.417 349 I CB -0.177 37.829 38.000 0.010 0.000 1.078 349 I HN 0.126 nan 8.210 nan 0.000 0.421 350 R N 0.727 121.232 120.500 0.007 0.000 2.105 350 R HA -0.220 4.120 4.340 0.000 0.000 0.239 350 R C 2.054 178.358 176.300 0.007 0.000 1.135 350 R CA 1.298 57.402 56.100 0.007 0.000 0.967 350 R CB -0.943 29.361 30.300 0.006 0.000 0.861 350 R HN 0.519 nan 8.270 nan 0.000 0.442 351 Q N 0.738 120.542 119.800 0.007 0.000 2.167 351 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 351 Q C 1.857 177.862 176.000 0.008 0.000 0.970 351 Q CA 1.229 57.036 55.803 0.007 0.000 0.855 351 Q CB 0.169 28.910 28.738 0.005 0.000 0.911 351 Q HN 0.434 nan 8.270 nan 0.000 0.438 352 Q N -0.013 119.793 119.800 0.009 0.000 2.119 352 Q HA -0.096 4.244 4.340 0.000 0.000 0.201 352 Q C 1.958 177.967 176.000 0.015 0.000 0.972 352 Q CA 1.169 56.978 55.803 0.011 0.000 0.847 352 Q CB 0.040 28.785 28.738 0.012 0.000 0.903 352 Q HN 0.429 nan 8.270 nan 0.000 0.433 353 I N 1.392 121.970 120.570 0.013 0.000 2.454 353 I HA -0.279 3.891 4.170 0.000 0.000 0.254 353 I C 2.475 178.600 176.117 0.014 0.000 1.156 353 I CA 1.196 62.505 61.300 0.014 0.000 1.433 353 I CB -0.394 37.613 38.000 0.011 0.000 1.082 353 I HN 0.351 nan 8.210 nan 0.000 0.432 354 E N 1.341 121.548 120.200 0.012 0.000 2.265 354 E HA -0.267 4.083 4.350 0.000 0.000 0.196 354 E C 1.655 178.262 176.600 0.012 0.000 0.996 354 E CA 1.188 57.594 56.400 0.011 0.000 0.832 354 E CB 0.002 29.707 29.700 0.008 0.000 0.756 354 E HN 0.417 nan 8.360 nan 0.000 0.491 355 E N 0.561 120.769 120.200 0.014 0.000 2.153 355 E HA -0.045 4.305 4.350 0.000 0.000 0.194 355 E C 1.410 178.022 176.600 0.019 0.000 0.988 355 E CA 1.503 57.912 56.400 0.016 0.000 0.811 355 E CB -0.259 29.451 29.700 0.018 0.000 0.746 355 E HN 0.472 nan 8.360 nan 0.000 0.466 356 A N -0.819 122.014 122.820 0.022 0.000 3.420 356 A HA -0.315 4.005 4.320 0.000 0.000 0.269 356 A C 1.625 179.226 177.584 0.029 0.000 1.122 356 A CA 1.891 53.942 52.037 0.024 0.000 1.023 356 A CB -2.564 16.447 19.000 0.018 0.000 1.099 356 A HN 0.319 nan 8.150 nan 0.000 0.860 357 T N -0.847 113.726 114.554 0.032 0.000 3.227 357 T HA 0.389 4.740 4.350 0.000 0.000 0.257 357 T C 0.496 175.220 174.700 0.039 0.000 1.162 357 T CA 1.326 63.445 62.100 0.031 0.000 1.051 357 T CB -0.417 68.467 68.868 0.027 0.000 0.953 357 T HN 2.003 nan 8.240 nan 0.000 0.535 358 S N -0.454 115.277 115.700 0.052 0.000 2.606 358 S HA 0.151 4.621 4.470 0.000 0.000 0.290 358 S C -0.731 173.920 174.600 0.085 0.000 1.103 358 S CA -0.772 57.471 58.200 0.073 0.000 0.870 358 S CB 0.886 64.141 63.200 0.092 0.000 1.077 358 S HN 0.008 nan 8.310 nan 0.000 0.448 359 D N 1.678 122.132 120.400 0.090 0.000 2.194 359 D HA -0.037 4.603 4.640 0.000 0.000 0.204 359 D C 1.301 177.665 176.300 0.106 0.000 0.964 359 D CA 1.122 55.169 54.000 0.079 0.000 0.846 359 D CB -0.088 40.750 40.800 0.064 0.000 0.962 359 D HN 0.669 nan 8.370 nan 0.000 0.490 360 Y N 2.201 122.511 120.300 0.016 0.000 2.181 360 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 360 Y C 1.643 177.562 175.900 0.031 0.000 1.146 360 Y CA 1.763 59.875 58.100 0.020 0.000 1.164 360 Y CB 0.053 38.526 38.460 0.021 0.000 0.982 360 Y HN -0.165 nan 8.280 nan 0.000 0.515 361 D N -0.521 120.038 120.400 0.264 0.000 2.084 361 D HA -0.146 4.495 4.640 0.000 0.000 0.194 361 D C 2.210 178.551 176.300 0.067 0.000 0.990 361 D CA 1.581 55.683 54.000 0.171 0.000 0.826 361 D CB -0.223 40.662 40.800 0.141 0.000 0.971 361 D HN 0.258 nan 8.370 nan 0.000 0.453 362 R N 0.364 120.895 120.500 0.051 0.000 2.096 362 R HA -0.096 4.244 4.340 0.000 0.000 0.235 362 R C 2.194 178.490 176.300 -0.007 0.000 1.127 362 R CA 0.976 57.090 56.100 0.022 0.000 0.968 362 R CB -0.116 30.198 30.300 0.024 0.000 0.861 362 R HN 0.319 nan 8.270 nan 0.000 0.440 363 E N 0.920 121.100 120.200 -0.032 0.000 2.031 363 E HA -0.216 4.134 4.350 0.000 0.000 0.193 363 E C 1.446 177.991 176.600 -0.092 0.000 0.994 363 E CA 1.375 57.731 56.400 -0.072 0.000 0.800 363 E CB 0.206 29.838 29.700 -0.113 0.000 0.752 363 E HN -0.020 nan 8.360 nan 0.000 0.447 364 K N 0.324 120.644 120.400 -0.133 0.000 2.283 364 K HA -0.020 4.300 4.320 0.000 0.000 0.202 364 K C 1.920 178.505 176.600 -0.024 0.000 1.048 364 K CA 0.473 56.696 56.287 -0.106 0.000 0.948 364 K CB -0.101 32.309 32.500 -0.150 0.000 0.742 364 K HN 0.189 nan 8.250 nan 0.000 0.458 365 L N -0.081 121.138 121.223 -0.007 0.000 2.044 365 L HA -0.177 4.163 4.340 0.000 0.000 0.205 365 L C 2.450 179.320 176.870 -0.001 0.000 1.075 365 L CA 1.064 55.908 54.840 0.006 0.000 0.747 365 L CB -0.348 41.719 42.059 0.015 0.000 0.903 365 L HN 0.150 nan 8.230 nan 0.000 0.435 366 Q N 0.782 120.576 119.800 -0.009 0.000 2.096 366 Q HA -0.246 4.094 4.340 0.000 0.000 0.204 366 Q C 1.915 177.908 176.000 -0.011 0.000 0.982 366 Q CA 1.836 57.633 55.803 -0.010 0.000 0.850 366 Q CB -0.099 28.631 28.738 -0.014 0.000 0.901 366 Q HN 0.457 nan 8.270 nan 0.000 0.422 367 E N -0.483 119.705 120.200 -0.021 0.000 2.106 367 E HA -0.158 4.193 4.350 0.000 0.000 0.192 367 E C 2.177 178.779 176.600 0.004 0.000 0.984 367 E CA 0.832 57.222 56.400 -0.016 0.000 0.806 367 E CB -0.076 29.603 29.700 -0.036 0.000 0.750 367 E HN 0.311 nan 8.360 nan 0.000 0.458 368 R N 0.368 120.874 120.500 0.009 0.000 2.081 368 R HA -0.106 4.234 4.340 0.000 0.000 0.235 368 R C 2.428 178.740 176.300 0.019 0.000 1.131 368 R CA 1.008 57.121 56.100 0.021 0.000 0.960 368 R CB -0.263 30.050 30.300 0.023 0.000 0.856 368 R HN 0.042 nan 8.270 nan 0.000 0.436 369 V N 0.944 120.865 119.914 0.011 0.000 2.332 369 V HA -0.277 3.843 4.120 0.000 0.000 0.248 369 V C 2.417 178.517 176.094 0.009 0.000 1.055 369 V CA 2.034 64.340 62.300 0.010 0.000 1.038 369 V CB -0.720 31.106 31.823 0.005 0.000 0.651 369 V HN 0.431 nan 8.190 nan 0.000 0.450 370 A N -0.392 122.432 122.820 0.006 0.000 1.858 370 A HA -0.193 4.127 4.320 0.000 0.000 0.216 370 A C 2.199 179.790 177.584 0.012 0.000 1.190 370 A CA 1.628 53.668 52.037 0.005 0.000 0.617 370 A CB -0.429 18.571 19.000 -0.001 0.000 0.827 370 A HN 0.391 nan 8.150 nan 0.000 0.443 371 K N -1.043 119.370 120.400 0.022 0.000 2.442 371 K HA 0.039 4.359 4.320 0.000 0.000 0.198 371 K C 1.505 178.132 176.600 0.044 0.000 1.042 371 K CA 0.729 57.039 56.287 0.039 0.000 0.958 371 K CB -0.251 32.288 32.500 0.064 0.000 0.766 371 K HN 0.484 nan 8.250 nan 0.000 0.474 372 L N -0.802 120.442 121.223 0.034 0.000 2.541 372 L HA 0.247 4.588 4.340 0.000 0.000 0.187 372 L C 1.869 178.752 176.870 0.021 0.000 1.098 372 L CA 1.065 55.925 54.840 0.033 0.000 0.846 372 L CB -0.478 41.600 42.059 0.033 0.000 1.151 372 L HN -0.036 nan 8.230 nan 0.000 0.492 373 A N -0.703 122.126 122.820 0.015 0.000 1.975 373 A HA 0.192 4.512 4.320 0.000 0.000 0.215 373 A C 2.092 179.680 177.584 0.006 0.000 1.170 373 A CA 1.026 53.069 52.037 0.009 0.000 0.656 373 A CB -1.165 17.840 19.000 0.008 0.000 0.821 373 A HN 0.494 nan 8.150 nan 0.000 0.449 374 G N -1.256 107.547 108.800 0.005 0.000 2.396 374 G HA2 0.296 4.256 3.960 0.000 0.000 0.214 374 G HA3 0.296 4.256 3.960 0.000 0.000 0.214 374 G C 1.454 176.354 174.900 0.000 0.000 1.166 374 G CA 1.107 46.208 45.100 0.001 0.000 0.793 374 G HN 1.502 nan 8.290 nan 0.000 0.533 375 G N -1.042 107.762 108.800 0.006 0.000 3.879 375 G HA2 -0.271 3.689 3.960 0.000 0.000 0.318 375 G HA3 -0.271 3.689 3.960 0.000 0.000 0.318 375 G C 0.093 174.991 174.900 -0.004 0.000 1.344 375 G CA 0.772 45.876 45.100 0.007 0.000 1.024 375 G HN 1.229 nan 8.290 nan 0.000 0.681 376 V N 0.827 120.735 119.914 -0.010 0.000 2.808 376 V HA 0.763 4.883 4.120 0.000 0.000 0.308 376 V C 0.293 176.376 176.094 -0.018 0.000 1.099 376 V CA -0.144 62.144 62.300 -0.020 0.000 0.920 376 V CB 1.578 33.385 31.823 -0.026 0.000 1.014 376 V HN 1.860 nan 8.190 nan 0.000 0.425 377 A N 3.797 126.604 122.820 -0.021 0.000 2.305 377 A HA 0.912 5.232 4.320 0.000 0.000 0.322 377 A C -0.431 177.140 177.584 -0.021 0.000 1.187 377 A CA -0.560 51.465 52.037 -0.019 0.000 0.825 377 A CB 1.442 20.430 19.000 -0.019 0.000 1.164 377 A HN 1.474 nan 8.150 nan 0.000 0.498 378 V N 0.549 120.452 119.914 -0.018 0.000 2.555 378 V HA 0.705 4.825 4.120 0.000 0.000 0.302 378 V C -0.420 175.666 176.094 -0.014 0.000 1.038 378 V CA -0.652 61.638 62.300 -0.016 0.000 0.887 378 V CB 1.243 33.058 31.823 -0.015 0.000 0.991 378 V HN 0.644 nan 8.190 nan 0.000 0.434 379 I N 3.619 124.181 120.570 -0.012 0.000 2.328 379 I HA 0.411 4.582 4.170 0.000 0.000 0.287 379 I C 0.172 176.285 176.117 -0.007 0.000 1.012 379 I CA -0.448 60.847 61.300 -0.009 0.000 1.195 379 I CB 1.433 39.427 38.000 -0.009 0.000 1.350 379 I HN 0.630 nan 8.210 nan 0.000 0.464 380 K N 5.778 126.174 120.400 -0.006 0.000 2.250 380 K HA 0.323 4.643 4.320 0.000 0.000 0.285 380 K C -0.632 175.966 176.600 -0.004 0.000 1.097 380 K CA -0.390 55.894 56.287 -0.005 0.000 0.913 380 K CB 1.075 33.572 32.500 -0.006 0.000 1.179 380 K HN 0.348 nan 8.250 nan 0.000 0.462 381 V N 3.193 123.106 119.914 -0.002 0.000 2.427 381 V HA 0.157 4.277 4.120 0.000 0.000 0.268 381 V C 0.867 176.960 176.094 -0.002 0.000 1.046 381 V CA -0.461 61.838 62.300 -0.001 0.000 0.970 381 V CB 0.869 32.693 31.823 0.001 0.000 1.001 381 V HN 0.842 nan 8.190 nan 0.000 0.476 382 G N 3.430 112.229 108.800 -0.002 0.000 2.412 382 G HA2 0.816 4.776 3.960 0.000 0.000 0.318 382 G HA3 0.816 4.776 3.960 0.000 0.000 0.318 382 G C -0.462 174.436 174.900 -0.002 0.000 1.146 382 G CA 0.159 45.258 45.100 -0.003 0.000 0.882 382 G HN 1.216 nan 8.290 nan 0.000 0.501 383 A N -0.397 122.421 122.820 -0.002 0.000 2.540 383 A HA 0.765 5.086 4.320 0.000 0.000 0.291 383 A C 0.755 178.338 177.584 -0.002 0.000 1.083 383 A CA 0.399 52.434 52.037 -0.002 0.000 0.650 383 A CB 0.343 19.342 19.000 -0.002 0.000 1.292 383 A HN 1.821 nan 8.150 nan 0.000 0.435 384 A N -0.598 122.220 122.820 -0.002 0.000 1.897 384 A HA 0.464 4.784 4.320 0.000 0.000 0.215 384 A C 1.208 178.791 177.584 -0.002 0.000 1.181 384 A CA 2.369 54.404 52.037 -0.002 0.000 0.620 384 A CB -0.323 18.676 19.000 -0.002 0.000 0.821 384 A HN 1.887 nan 8.150 nan 0.000 0.443 385 T N -2.706 111.847 114.554 -0.002 0.000 2.883 385 T HA 0.328 4.679 4.350 0.000 0.000 0.301 385 T C 0.433 175.132 174.700 -0.001 0.000 1.158 385 T CA -0.214 61.885 62.100 -0.002 0.000 1.007 385 T CB 1.671 70.538 68.868 -0.002 0.000 1.186 385 T HN 0.304 nan 8.240 nan 0.000 0.499 386 E N 1.239 121.438 120.200 -0.002 0.000 2.160 386 E HA -0.100 4.250 4.350 0.000 0.000 0.195 386 E C 1.747 178.347 176.600 -0.001 0.000 0.991 386 E CA 1.324 57.724 56.400 -0.001 0.000 0.810 386 E CB 0.074 29.773 29.700 -0.002 0.000 0.742 386 E HN 0.505 nan 8.360 nan 0.000 0.466 387 V N 0.889 120.803 119.914 -0.000 0.000 2.427 387 V HA -0.208 3.913 4.120 0.000 0.000 0.248 387 V C 2.332 178.426 176.094 0.000 0.000 1.051 387 V CA 2.042 64.342 62.300 0.000 0.000 1.048 387 V CB -0.446 31.377 31.823 0.000 0.000 0.666 387 V HN 0.315 nan 8.190 nan 0.000 0.456 388 E N -0.122 120.078 120.200 -0.000 0.000 2.072 388 E HA -0.216 4.135 4.350 0.000 0.000 0.190 388 E C 2.267 178.867 176.600 -0.000 0.000 0.982 388 E CA 1.190 57.589 56.400 -0.000 0.000 0.803 388 E CB -0.127 29.573 29.700 -0.001 0.000 0.755 388 E HN 0.540 nan 8.360 nan 0.000 0.453 389 M N 0.705 120.305 119.600 -0.000 0.000 2.082 389 M HA -0.254 4.227 4.480 0.000 0.000 0.258 389 M C 1.815 178.115 176.300 0.001 0.000 1.069 389 M CA 1.855 57.156 55.300 0.000 0.000 1.102 389 M CB -0.012 32.587 32.600 -0.001 0.000 1.336 389 M HN -0.050 nan 8.290 nan 0.000 0.404 390 K N -0.632 119.769 120.400 0.002 0.000 2.296 390 K HA -0.115 4.205 4.320 0.000 0.000 0.200 390 K C 1.991 178.593 176.600 0.003 0.000 1.048 390 K CA 0.783 57.072 56.287 0.003 0.000 0.966 390 K CB -0.118 32.384 32.500 0.003 0.000 0.754 390 K HN 0.415 nan 8.250 nan 0.000 0.466 391 E N 1.849 122.051 120.200 0.002 0.000 2.072 391 E HA -0.176 4.175 4.350 0.000 0.000 0.190 391 E C 1.846 178.447 176.600 0.003 0.000 0.982 391 E CA 1.174 57.575 56.400 0.002 0.000 0.803 391 E CB 0.210 29.911 29.700 0.001 0.000 0.755 391 E HN 0.134 nan 8.360 nan 0.000 0.453 392 K N 0.938 121.340 120.400 0.002 0.000 2.057 392 K HA -0.164 4.157 4.320 0.000 0.000 0.207 392 K C 2.336 178.939 176.600 0.005 0.000 1.049 392 K CA 1.321 57.610 56.287 0.002 0.000 0.931 392 K CB -0.047 32.453 32.500 0.001 0.000 0.714 392 K HN -0.078 nan 8.250 nan 0.000 0.440 393 K N 0.214 120.617 120.400 0.006 0.000 2.009 393 K HA -0.180 4.140 4.320 0.000 0.000 0.210 393 K C 2.003 178.610 176.600 0.013 0.000 1.049 393 K CA 1.499 57.791 56.287 0.009 0.000 0.929 393 K CB -0.246 32.259 32.500 0.008 0.000 0.714 393 K HN 0.215 nan 8.250 nan 0.000 0.440 394 A N 1.500 124.326 122.820 0.010 0.000 1.908 394 A HA -0.235 4.085 4.320 0.000 0.000 0.218 394 A C 2.136 179.727 177.584 0.012 0.000 1.181 394 A CA 1.905 53.948 52.037 0.010 0.000 0.627 394 A CB -0.646 18.357 19.000 0.005 0.000 0.818 394 A HN 0.460 nan 8.150 nan 0.000 0.445 395 R N -0.453 120.053 120.500 0.009 0.000 2.091 395 R HA -0.108 4.232 4.340 0.000 0.000 0.238 395 R C 1.856 178.166 176.300 0.017 0.000 1.136 395 R CA 1.907 58.013 56.100 0.010 0.000 0.959 395 R CB -0.429 29.874 30.300 0.005 0.000 0.856 395 R HN 0.297 nan 8.270 nan 0.000 0.437 396 V N 1.226 121.151 119.914 0.018 0.000 2.427 396 V HA -0.178 3.942 4.120 0.000 0.000 0.248 396 V C 1.876 177.997 176.094 0.045 0.000 1.051 396 V CA 1.978 64.291 62.300 0.023 0.000 1.048 396 V CB -0.454 31.377 31.823 0.014 0.000 0.666 396 V HN 0.419 nan 8.190 nan 0.000 0.456 397 E N -0.136 120.095 120.200 0.051 0.000 2.265 397 E HA -0.208 4.142 4.350 0.000 0.000 0.196 397 E C 1.652 178.313 176.600 0.101 0.000 0.996 397 E CA 1.227 57.678 56.400 0.085 0.000 0.832 397 E CB -0.056 29.673 29.700 0.047 0.000 0.756 397 E HN 0.615 nan 8.360 nan 0.000 0.491 398 D N -0.042 120.394 120.400 0.060 0.000 2.202 398 D HA 0.026 4.666 4.640 0.000 0.000 0.214 398 D C 1.862 178.209 176.300 0.078 0.000 0.967 398 D CA 1.117 55.150 54.000 0.054 0.000 0.871 398 D CB -0.234 40.578 40.800 0.020 0.000 1.020 398 D HN 0.110 nan 8.370 nan 0.000 0.474 399 A N 0.802 123.653 122.820 0.051 0.000 1.972 399 A HA -0.093 4.227 4.320 0.000 0.000 0.219 399 A C 2.201 179.804 177.584 0.032 0.000 1.169 399 A CA 0.851 52.908 52.037 0.034 0.000 0.635 399 A CB -0.763 18.248 19.000 0.018 0.000 0.810 399 A HN 0.274 nan 8.150 nan 0.000 0.446 400 L N -1.481 119.762 121.223 0.034 0.000 2.005 400 L HA -0.180 4.160 4.340 0.000 0.000 0.207 400 L C 2.669 179.508 176.870 -0.052 0.000 1.072 400 L CA 1.600 56.429 54.840 -0.019 0.000 0.744 400 L CB -0.489 41.549 42.059 -0.035 0.000 0.895 400 L HN 0.494 nan 8.230 nan 0.000 0.433 401 H N -0.495 118.568 119.070 -0.011 0.000 2.319 401 H HA -0.150 4.406 4.556 0.001 0.000 0.299 401 H C 2.161 177.484 175.328 -0.008 0.000 1.092 401 H CA 1.571 57.612 56.048 -0.011 0.000 1.302 401 H CB -0.021 29.734 29.762 -0.012 0.000 1.373 401 H HN 0.529 nan 8.280 nan 0.000 0.497 402 A N 0.365 123.251 122.820 0.110 0.000 1.930 402 A HA -0.142 4.178 4.320 0.000 0.000 0.217 402 A C 2.619 180.219 177.584 0.028 0.000 1.175 402 A CA 1.917 53.989 52.037 0.058 0.000 0.627 402 A CB -0.773 18.253 19.000 0.044 0.000 0.815 402 A HN 0.369 nan 8.150 nan 0.000 0.443 403 T N -0.336 114.226 114.554 0.013 0.000 2.708 403 T HA -0.138 4.212 4.350 0.000 0.000 0.266 403 T C 2.068 176.761 174.700 -0.012 0.000 1.037 403 T CA 1.528 63.626 62.100 -0.004 0.000 1.146 403 T CB -0.234 68.626 68.868 -0.013 0.000 0.865 403 T HN 0.493 nan 8.240 nan 0.000 0.435 404 R N 0.802 121.285 120.500 -0.028 0.000 2.096 404 R HA 0.045 4.386 4.340 0.000 0.000 0.235 404 R C 2.760 179.055 176.300 -0.008 0.000 1.127 404 R CA 1.161 57.240 56.100 -0.035 0.000 0.968 404 R CB -0.408 29.843 30.300 -0.081 0.000 0.861 404 R HN 0.360 nan 8.270 nan 0.000 0.440 405 A N 1.038 123.865 122.820 0.013 0.000 1.969 405 A HA -0.074 4.246 4.320 0.000 0.000 0.218 405 A C 2.304 179.899 177.584 0.017 0.000 1.169 405 A CA 1.560 53.612 52.037 0.025 0.000 0.635 405 A CB -0.407 18.619 19.000 0.043 0.000 0.810 405 A HN 0.388 nan 8.150 nan 0.000 0.445 406 A N -0.560 122.267 122.820 0.012 0.000 1.898 406 A HA 0.039 4.359 4.320 0.000 0.000 0.216 406 A C 2.120 179.706 177.584 0.003 0.000 1.181 406 A CA 1.537 53.578 52.037 0.008 0.000 0.620 406 A CB -0.860 18.144 19.000 0.005 0.000 0.819 406 A HN 0.380 nan 8.150 nan 0.000 0.442 407 V N 0.634 120.547 119.914 -0.002 0.000 2.568 407 V HA -0.217 3.903 4.120 0.000 0.000 0.253 407 V C 1.606 177.699 176.094 -0.002 0.000 1.072 407 V CA 1.916 64.213 62.300 -0.005 0.000 1.084 407 V CB -0.820 30.996 31.823 -0.012 0.000 0.676 407 V HN 0.611 nan 8.190 nan 0.000 0.469 408 E N 0.214 120.415 120.200 0.002 0.000 2.320 408 E HA 0.241 4.591 4.350 0.000 0.000 0.189 408 E C -0.476 176.129 176.600 0.009 0.000 1.100 408 E CA 0.028 56.431 56.400 0.006 0.000 1.009 408 E CB -0.010 29.696 29.700 0.010 0.000 1.145 408 E HN 0.668 nan 8.360 nan 0.000 0.454 409 E N -0.894 119.310 120.200 0.007 0.000 5.699 409 E HA 0.102 4.452 4.350 0.000 0.000 0.370 409 E C -0.413 176.191 176.600 0.007 0.000 1.014 409 E CA -0.034 56.369 56.400 0.006 0.000 1.584 409 E CB -0.359 29.344 29.700 0.005 0.000 0.957 409 E HN 0.382 nan 8.360 nan 0.000 0.535 410 G N 0.131 108.935 108.800 0.005 0.000 2.787 410 G HA2 0.129 4.089 3.960 0.000 0.000 0.685 410 G HA3 0.129 4.089 3.960 0.000 0.000 0.685 410 G C -0.455 174.449 174.900 0.007 0.000 1.437 410 G CA -0.447 44.657 45.100 0.006 0.000 0.872 410 G HN 1.332 nan 8.290 nan 0.000 0.566 411 V N -1.984 117.934 119.914 0.007 0.000 2.925 411 V HA 0.976 5.097 4.120 0.000 0.000 0.311 411 V C 0.419 176.519 176.094 0.009 0.000 1.104 411 V CA -0.094 62.210 62.300 0.007 0.000 0.954 411 V CB 1.452 33.278 31.823 0.005 0.000 1.022 411 V HN 2.472 nan 8.190 nan 0.000 0.427 412 V N -0.250 119.669 119.914 0.010 0.000 3.159 412 V HA 0.984 5.104 4.120 0.000 0.000 0.308 412 V C 0.461 176.560 176.094 0.009 0.000 1.190 412 V CA -0.656 61.652 62.300 0.012 0.000 1.037 412 V CB 1.558 33.389 31.823 0.014 0.000 1.060 412 V HN 2.158 nan 8.190 nan 0.000 0.437 413 A N 1.437 124.263 122.820 0.011 0.000 2.526 413 A HA 0.483 4.803 4.320 0.000 0.000 0.287 413 A C 1.402 178.986 177.584 0.001 0.000 1.232 413 A CA 0.613 52.652 52.037 0.003 0.000 0.900 413 A CB -0.771 18.234 19.000 0.009 0.000 1.077 413 A HN 1.846 nan 8.150 nan 0.000 0.535 414 G N 2.358 111.155 108.800 -0.005 0.000 2.603 414 G HA2 0.191 4.151 3.960 0.000 0.000 0.214 414 G HA3 0.191 4.151 3.960 0.000 0.000 0.214 414 G C 0.985 175.884 174.900 -0.002 0.000 1.140 414 G CA 0.599 45.698 45.100 -0.001 0.000 0.800 414 G HN 1.061 nan 8.290 nan 0.000 0.533 415 G N 0.114 108.908 108.800 -0.011 0.000 3.090 415 G HA2 0.419 4.379 3.960 0.000 0.000 0.259 415 G HA3 0.419 4.379 3.960 0.000 0.000 0.259 415 G C 1.330 176.236 174.900 0.009 0.000 0.797 415 G CA 0.293 45.388 45.100 -0.009 0.000 2.032 415 G HN 1.132 nan 8.290 nan 0.000 0.614 416 G N -0.328 108.480 108.800 0.014 0.000 2.480 416 G HA2 -0.424 3.536 3.960 0.000 0.000 0.246 416 G HA3 -0.424 3.536 3.960 0.000 0.000 0.246 416 G C 1.550 176.466 174.900 0.026 0.000 1.073 416 G CA 0.765 45.878 45.100 0.022 0.000 0.643 416 G HN 0.713 nan 8.290 nan 0.000 0.525 417 V N 1.523 121.452 119.914 0.025 0.000 2.317 417 V HA -0.135 3.985 4.120 0.000 0.000 0.251 417 V C 3.353 179.468 176.094 0.035 0.000 1.065 417 V CA 3.215 65.534 62.300 0.032 0.000 1.049 417 V CB -1.220 30.613 31.823 0.016 0.000 0.651 417 V HN 1.139 nan 8.190 nan 0.000 0.450 418 A N -0.231 122.606 122.820 0.027 0.000 1.908 418 A HA -0.179 4.141 4.320 0.000 0.000 0.218 418 A C 2.117 179.718 177.584 0.028 0.000 1.181 418 A CA 1.845 53.899 52.037 0.028 0.000 0.627 418 A CB -0.480 18.533 19.000 0.022 0.000 0.818 418 A HN 0.423 nan 8.150 nan 0.000 0.445 419 L N -0.172 121.067 121.223 0.026 0.000 2.056 419 L HA -0.128 4.212 4.340 0.000 0.000 0.207 419 L C 2.515 179.401 176.870 0.028 0.000 1.078 419 L CA 1.241 56.096 54.840 0.025 0.000 0.749 419 L CB -1.388 40.685 42.059 0.023 0.000 0.901 419 L HN 0.314 nan 8.230 nan 0.000 0.433 420 I N -0.172 120.418 120.570 0.033 0.000 2.163 420 I HA -0.277 3.894 4.170 0.000 0.000 0.243 420 I C 2.765 178.907 176.117 0.042 0.000 1.085 420 I CA 1.138 62.461 61.300 0.038 0.000 1.347 420 I CB -1.026 37.003 38.000 0.048 0.000 1.044 420 I HN 0.271 nan 8.210 nan 0.000 0.408 421 R N 1.798 122.326 120.500 0.047 0.000 2.070 421 R HA -0.131 4.209 4.340 0.000 0.000 0.233 421 R C 2.316 178.638 176.300 0.037 0.000 1.137 421 R CA 2.124 58.254 56.100 0.050 0.000 0.945 421 R CB -1.047 29.287 30.300 0.057 0.000 0.845 421 R HN 0.370 nan 8.270 nan 0.000 0.430 422 V N -1.466 118.466 119.914 0.030 0.000 2.594 422 V HA -0.041 4.079 4.120 0.000 0.000 0.253 422 V C 2.090 178.196 176.094 0.020 0.000 1.069 422 V CA 1.740 64.053 62.300 0.023 0.000 1.082 422 V CB -1.181 30.653 31.823 0.018 0.000 0.680 422 V HN 0.326 nan 8.190 nan 0.000 0.469 423 A N 1.796 124.629 122.820 0.021 0.000 1.872 423 A HA -0.097 4.224 4.320 0.000 0.000 0.214 423 A C 2.595 180.190 177.584 0.020 0.000 1.187 423 A CA 2.150 54.198 52.037 0.019 0.000 0.614 423 A CB -1.073 17.938 19.000 0.019 0.000 0.826 423 A HN 0.934 nan 8.150 nan 0.000 0.442 424 S N 0.251 115.966 115.700 0.025 0.000 2.419 424 S HA -0.178 4.292 4.470 0.000 0.000 0.235 424 S C 1.583 176.196 174.600 0.020 0.000 1.019 424 S CA 1.611 59.826 58.200 0.025 0.000 0.982 424 S CB -0.389 62.832 63.200 0.036 0.000 0.789 424 S HN 0.619 nan 8.310 nan 0.000 0.490 425 K N 0.462 120.874 120.400 0.020 0.000 2.400 425 K HA 0.206 4.526 4.320 0.000 0.000 0.194 425 K C 0.552 177.159 176.600 0.011 0.000 1.033 425 K CA 0.662 56.959 56.287 0.016 0.000 1.021 425 K CB 0.043 32.553 32.500 0.017 0.000 0.808 425 K HN 0.563 nan 8.250 nan 0.000 0.505 426 L N -5.411 115.819 121.223 0.011 0.000 3.635 426 L HA 0.461 4.801 4.340 0.000 0.000 0.338 426 L C 1.130 178.004 176.870 0.008 0.000 1.275 426 L CA -0.109 54.736 54.840 0.008 0.000 1.092 426 L CB -0.267 41.797 42.059 0.008 0.000 1.465 426 L HN -0.193 nan 8.230 nan 0.000 0.625 427 A N -0.098 122.728 122.820 0.009 0.000 2.186 427 A HA -0.195 4.125 4.320 0.000 0.000 0.219 427 A C 1.701 179.289 177.584 0.006 0.000 1.159 427 A CA 1.757 53.799 52.037 0.008 0.000 0.680 427 A CB -0.754 18.252 19.000 0.009 0.000 0.787 427 A HN 0.525 nan 8.150 nan 0.000 0.467 428 D N -1.135 119.268 120.400 0.005 0.000 2.378 428 D HA 0.034 4.674 4.640 0.000 0.000 0.227 428 D C 0.549 176.851 176.300 0.003 0.000 1.012 428 D CA -0.130 53.872 54.000 0.004 0.000 0.905 428 D CB -0.319 40.483 40.800 0.003 0.000 0.895 428 D HN 0.350 nan 8.370 nan 0.000 0.532 429 L N 1.312 122.537 121.223 0.004 0.000 2.578 429 L HA 0.069 4.410 4.340 0.000 0.000 0.279 429 L C -0.150 176.722 176.870 0.003 0.000 1.227 429 L CA 0.665 55.507 54.840 0.003 0.000 0.900 429 L CB 0.226 42.288 42.059 0.004 0.000 1.144 429 L HN -0.121 nan 8.230 nan 0.000 0.496 430 R N 3.487 123.989 120.500 0.002 0.000 2.832 430 R HA 0.652 4.993 4.340 0.000 0.000 0.271 430 R C 0.150 176.451 176.300 0.002 0.000 0.996 430 R CA -0.222 55.880 56.100 0.002 0.000 0.977 430 R CB 1.231 31.532 30.300 0.001 0.000 1.168 430 R HN 0.847 nan 8.270 nan 0.000 0.482 431 G N 0.134 108.935 108.800 0.002 0.000 2.630 431 G HA2 0.238 4.199 3.960 0.000 0.000 0.223 431 G HA3 0.238 4.199 3.960 0.000 0.000 0.223 431 G C -0.057 174.843 174.900 0.001 0.000 1.434 431 G CA 0.088 45.188 45.100 0.001 0.000 1.057 431 G HN 0.399 nan 8.290 nan 0.000 0.570 432 Q N -1.370 118.430 119.800 0.001 0.000 2.586 432 Q HA 0.159 4.499 4.340 0.000 0.000 0.243 432 Q C 0.973 176.974 176.000 0.001 0.000 0.846 432 Q CA -0.313 55.490 55.803 0.001 0.000 0.959 432 Q CB 0.210 28.948 28.738 0.000 0.000 1.227 432 Q HN 0.566 nan 8.270 nan 0.000 0.611 433 N N 1.227 119.928 118.700 0.001 0.000 2.463 433 N HA -0.039 4.702 4.740 0.000 0.000 0.270 433 N C 0.679 176.189 175.510 0.001 0.000 1.205 433 N CA 0.311 53.362 53.050 0.001 0.000 0.974 433 N CB 1.274 39.761 38.487 0.001 0.000 1.197 433 N HN 0.280 nan 8.380 nan 0.000 0.504 434 E N 1.800 122.001 120.200 0.001 0.000 2.031 434 E HA -0.239 4.111 4.350 0.000 0.000 0.193 434 E C 0.538 177.139 176.600 0.002 0.000 0.994 434 E CA 1.754 58.154 56.400 0.001 0.000 0.800 434 E CB -0.519 29.181 29.700 0.001 0.000 0.752 434 E HN 0.649 nan 8.360 nan 0.000 0.447 435 D N 1.100 121.501 120.400 0.002 0.000 2.149 435 D HA -0.216 4.425 4.640 0.000 0.000 0.198 435 D C 2.135 178.436 176.300 0.003 0.000 0.990 435 D CA 1.521 55.522 54.000 0.002 0.000 0.839 435 D CB -0.243 40.559 40.800 0.002 0.000 0.948 435 D HN 0.278 nan 8.370 nan 0.000 0.460 436 Q N 0.293 120.095 119.800 0.002 0.000 2.084 436 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 436 Q C 1.770 177.772 176.000 0.002 0.000 0.978 436 Q CA 0.995 56.800 55.803 0.002 0.000 0.844 436 Q CB 0.069 28.808 28.738 0.002 0.000 0.898 436 Q HN 0.288 nan 8.270 nan 0.000 0.426 437 N N -0.270 118.432 118.700 0.002 0.000 2.166 437 N HA -0.134 4.606 4.740 0.000 0.000 0.186 437 N C 1.876 177.388 175.510 0.003 0.000 1.019 437 N CA 1.320 54.372 53.050 0.002 0.000 0.856 437 N CB 0.006 38.495 38.487 0.002 0.000 0.993 437 N HN 0.108 nan 8.380 nan 0.000 0.426 438 V N 1.000 120.916 119.914 0.003 0.000 2.343 438 V HA -0.162 3.958 4.120 0.000 0.000 0.247 438 V C 2.524 178.620 176.094 0.004 0.000 1.051 438 V CA 2.008 64.310 62.300 0.003 0.000 1.036 438 V CB -1.185 30.640 31.823 0.003 0.000 0.654 438 V HN 0.326 nan 8.190 nan 0.000 0.451 439 G N -0.139 108.664 108.800 0.004 0.000 2.442 439 G HA2 -0.220 3.741 3.960 0.000 0.000 0.219 439 G HA3 -0.220 3.741 3.960 0.000 0.000 0.219 439 G C 1.578 176.481 174.900 0.005 0.000 1.141 439 G CA 1.047 46.150 45.100 0.005 0.000 0.763 439 G HN 0.496 nan 8.290 nan 0.000 0.554 440 I N 0.105 120.678 120.570 0.004 0.000 2.202 440 I HA -0.101 4.069 4.170 0.000 0.000 0.242 440 I C 2.668 178.788 176.117 0.005 0.000 1.091 440 I CA 1.370 62.672 61.300 0.004 0.000 1.368 440 I CB -0.111 37.892 38.000 0.004 0.000 1.058 440 I HN 0.066 nan 8.210 nan 0.000 0.410 441 K N 0.817 121.220 120.400 0.005 0.000 2.097 441 K HA -0.125 4.195 4.320 0.000 0.000 0.206 441 K C 1.892 178.495 176.600 0.006 0.000 1.049 441 K CA 1.279 57.569 56.287 0.005 0.000 0.933 441 K CB -0.349 32.154 32.500 0.004 0.000 0.717 441 K HN 0.087 nan 8.250 nan 0.000 0.442 442 V N 0.569 120.486 119.914 0.006 0.000 2.295 442 V HA -0.253 3.868 4.120 0.000 0.000 0.246 442 V C 2.272 178.371 176.094 0.008 0.000 1.049 442 V CA 2.020 64.324 62.300 0.007 0.000 1.024 442 V CB -0.797 31.030 31.823 0.006 0.000 0.648 442 V HN 0.487 nan 8.190 nan 0.000 0.447 443 A N -0.363 122.462 122.820 0.008 0.000 1.877 443 A HA -0.175 4.145 4.320 0.000 0.000 0.216 443 A C 2.208 179.798 177.584 0.009 0.000 1.186 443 A CA 1.885 53.927 52.037 0.009 0.000 0.620 443 A CB -0.587 18.418 19.000 0.007 0.000 0.822 443 A HN 0.500 nan 8.150 nan 0.000 0.443 444 L N -1.147 120.081 121.223 0.009 0.000 2.046 444 L HA -0.201 4.140 4.340 0.000 0.000 0.208 444 L C 2.806 179.682 176.870 0.011 0.000 1.077 444 L CA 1.875 56.721 54.840 0.010 0.000 0.747 444 L CB -0.452 41.613 42.059 0.009 0.000 0.896 444 L HN 0.480 nan 8.230 nan 0.000 0.432 445 R N 0.330 120.836 120.500 0.010 0.000 2.081 445 R HA -0.165 4.176 4.340 0.000 0.000 0.235 445 R C 2.330 178.636 176.300 0.011 0.000 1.131 445 R CA 1.377 57.483 56.100 0.010 0.000 0.960 445 R CB -0.253 30.052 30.300 0.008 0.000 0.856 445 R HN 0.327 nan 8.270 nan 0.000 0.436 446 A N 0.813 123.640 122.820 0.011 0.000 1.978 446 A HA -0.166 4.154 4.320 0.000 0.000 0.220 446 A C 2.115 179.708 177.584 0.014 0.000 1.170 446 A CA 1.590 53.635 52.037 0.012 0.000 0.636 446 A CB -0.452 18.555 19.000 0.013 0.000 0.810 446 A HN 0.400 nan 8.150 nan 0.000 0.448 447 M N -0.498 119.110 119.600 0.015 0.000 2.539 447 M HA -0.142 4.339 4.480 0.000 0.000 0.261 447 M C 1.555 177.866 176.300 0.018 0.000 1.069 447 M CA 1.121 56.431 55.300 0.017 0.000 1.081 447 M CB -0.327 32.283 32.600 0.017 0.000 1.412 447 M HN 0.473 nan 8.290 nan 0.000 0.482 448 E N 0.375 120.585 120.200 0.017 0.000 2.285 448 E HA -0.052 4.298 4.350 0.000 0.000 0.194 448 E C 2.167 178.777 176.600 0.016 0.000 0.997 448 E CA 0.773 57.183 56.400 0.017 0.000 0.845 448 E CB -0.030 29.679 29.700 0.014 0.000 0.782 448 E HN 0.531 nan 8.360 nan 0.000 0.491 449 A N 2.307 125.136 122.820 0.015 0.000 1.908 449 A HA -0.120 4.200 4.320 0.000 0.000 0.218 449 A C -0.304 177.289 177.584 0.015 0.000 1.181 449 A CA 1.152 53.197 52.037 0.013 0.000 0.627 449 A CB -1.359 17.649 19.000 0.013 0.000 0.818 449 A HN 0.132 nan 8.150 nan 0.000 0.445 450 P HA -0.155 nan 4.420 nan 0.000 0.214 450 P C 1.711 179.022 177.300 0.020 0.000 1.163 450 P CA 0.986 64.097 63.100 0.018 0.000 0.883 450 P CB -0.086 31.626 31.700 0.019 0.000 0.788 451 L N -0.352 120.885 121.223 0.022 0.000 2.005 451 L HA -0.098 4.243 4.340 0.000 0.000 0.207 451 L C 2.389 179.271 176.870 0.021 0.000 1.072 451 L CA 1.848 56.704 54.840 0.027 0.000 0.744 451 L CB -0.973 41.104 42.059 0.030 0.000 0.895 451 L HN -0.233 nan 8.230 nan 0.000 0.433 452 R N -0.977 119.531 120.500 0.014 0.000 2.091 452 R HA -0.234 4.106 4.340 0.000 0.000 0.238 452 R C 2.324 178.630 176.300 0.010 0.000 1.136 452 R CA 1.700 57.804 56.100 0.007 0.000 0.959 452 R CB -0.415 29.889 30.300 0.006 0.000 0.856 452 R HN 0.420 nan 8.270 nan 0.000 0.437 453 Q N 0.908 120.716 119.800 0.012 0.000 2.123 453 Q HA -0.036 4.304 4.340 0.000 0.000 0.199 453 Q C 1.854 177.864 176.000 0.016 0.000 0.966 453 Q CA 1.339 57.149 55.803 0.012 0.000 0.845 453 Q CB -0.066 28.679 28.738 0.011 0.000 0.907 453 Q HN 0.323 nan 8.270 nan 0.000 0.439 454 I N -0.731 119.851 120.570 0.021 0.000 2.163 454 I HA -0.288 3.882 4.170 0.000 0.000 0.243 454 I C 1.965 178.106 176.117 0.040 0.000 1.085 454 I CA 1.038 62.354 61.300 0.027 0.000 1.347 454 I CB -0.246 37.772 38.000 0.030 0.000 1.044 454 I HN 0.067 nan 8.210 nan 0.000 0.408 455 V N 0.407 120.348 119.914 0.045 0.000 2.358 455 V HA -0.251 3.869 4.120 0.000 0.000 0.246 455 V C 2.313 178.426 176.094 0.032 0.000 1.047 455 V CA 1.465 63.797 62.300 0.053 0.000 1.035 455 V CB -0.498 31.330 31.823 0.008 0.000 0.658 455 V HN 0.355 nan 8.190 nan 0.000 0.452 456 L N 0.860 122.094 121.223 0.018 0.000 2.046 456 L HA -0.119 4.222 4.340 0.000 0.000 0.208 456 L C 2.184 179.063 176.870 0.015 0.000 1.077 456 L CA 1.892 56.740 54.840 0.013 0.000 0.747 456 L CB -0.960 41.104 42.059 0.008 0.000 0.896 456 L HN 0.299 nan 8.230 nan 0.000 0.432 457 N N -0.733 117.977 118.700 0.016 0.000 2.084 457 N HA -0.188 4.552 4.740 0.000 0.000 0.190 457 N C 1.812 177.331 175.510 0.015 0.000 1.030 457 N CA 1.884 54.942 53.050 0.013 0.000 0.849 457 N CB -0.982 37.511 38.487 0.011 0.000 1.012 457 N HN 0.409 nan 8.380 nan 0.000 0.423 458 C N -0.104 119.210 119.300 0.024 0.000 2.466 458 C HA 0.179 4.639 4.460 0.000 0.000 0.283 458 C C 1.493 176.501 174.990 0.031 0.000 1.472 458 C CA 0.394 59.429 59.018 0.028 0.000 1.765 458 C CB -1.497 26.270 27.740 0.045 0.000 1.724 458 C HN 0.669 nan 8.230 nan 0.000 0.560 459 G N 1.096 109.912 108.800 0.028 0.000 2.212 459 G HA2 -0.146 3.814 3.960 0.000 0.000 0.255 459 G HA3 -0.146 3.814 3.960 0.000 0.000 0.255 459 G C -0.326 174.592 174.900 0.029 0.000 1.062 459 G CA 0.187 45.301 45.100 0.023 0.000 0.815 459 G HN 0.521 nan 8.290 nan 0.000 0.497 460 E N -0.593 119.628 120.200 0.034 0.000 2.404 460 E HA 0.450 4.801 4.350 0.000 0.000 0.264 460 E C -0.393 176.204 176.600 -0.005 0.000 0.946 460 E CA -0.993 55.424 56.400 0.029 0.000 0.806 460 E CB 0.687 30.433 29.700 0.076 0.000 1.334 460 E HN 0.126 nan 8.360 nan 0.000 0.429 461 E N 2.291 122.471 120.200 -0.034 0.000 2.003 461 E HA 0.146 4.497 4.350 0.000 0.000 0.279 461 E C -1.858 174.707 176.600 -0.059 0.000 1.132 461 E CA -1.775 54.602 56.400 -0.038 0.000 0.888 461 E CB 0.795 30.476 29.700 -0.032 0.000 1.056 461 E HN 0.095 nan 8.360 nan 0.000 0.399 462 P HA -0.108 nan 4.420 nan 0.000 0.221 462 P C 1.289 178.571 177.300 -0.031 0.000 1.150 462 P CA 0.898 63.978 63.100 -0.033 0.000 0.800 462 P CB 0.353 32.045 31.700 -0.014 0.000 0.787 463 S N -1.519 114.166 115.700 -0.025 0.000 2.388 463 S HA -0.046 4.424 4.470 0.000 0.000 0.223 463 S C 1.959 176.546 174.600 -0.021 0.000 1.034 463 S CA 0.803 58.993 58.200 -0.017 0.000 0.963 463 S CB -1.509 61.685 63.200 -0.011 0.000 0.827 463 S HN -0.069 nan 8.310 nan 0.000 0.481 464 V N 1.998 121.894 119.914 -0.031 0.000 2.358 464 V HA -0.092 4.028 4.120 0.000 0.000 0.246 464 V C 2.685 178.758 176.094 -0.035 0.000 1.047 464 V CA 1.606 63.888 62.300 -0.030 0.000 1.035 464 V CB -0.713 31.093 31.823 -0.029 0.000 0.658 464 V HN 0.457 nan 8.190 nan 0.000 0.452 465 V N 0.301 120.161 119.914 -0.091 0.000 2.427 465 V HA -0.195 3.925 4.120 0.000 0.000 0.248 465 V C 2.689 178.768 176.094 -0.025 0.000 1.051 465 V CA 1.711 63.932 62.300 -0.132 0.000 1.048 465 V CB -1.090 30.498 31.823 -0.392 0.000 0.666 465 V HN 0.540 nan 8.190 nan 0.000 0.456 466 A N 0.755 123.564 122.820 -0.018 0.000 1.883 466 A HA -0.314 4.006 4.320 0.000 0.000 0.217 466 A C 2.091 179.693 177.584 0.031 0.000 1.186 466 A CA 2.514 54.559 52.037 0.013 0.000 0.624 466 A CB -0.855 18.149 19.000 0.005 0.000 0.822 466 A HN 0.612 nan 8.150 nan 0.000 0.444 467 N N -0.380 118.332 118.700 0.020 0.000 2.142 467 N HA -0.148 4.592 4.740 0.000 0.000 0.186 467 N C 1.833 177.366 175.510 0.039 0.000 1.023 467 N CA 2.603 55.666 53.050 0.022 0.000 0.852 467 N CB -0.422 38.067 38.487 0.003 0.000 0.998 467 N HN 0.545 nan 8.380 nan 0.000 0.424 468 T N -2.235 112.349 114.554 0.049 0.000 2.746 468 T HA -0.092 4.258 4.350 0.000 0.000 0.267 468 T C 1.992 176.825 174.700 0.222 0.000 1.039 468 T CA 1.493 63.635 62.100 0.070 0.000 1.142 468 T CB -0.885 67.968 68.868 -0.025 0.000 0.866 468 T HN -0.021 nan 8.240 nan 0.000 0.444 469 V N 1.754 121.801 119.914 0.222 0.000 2.358 469 V HA -0.094 4.026 4.120 0.000 0.000 0.246 469 V C 2.774 178.973 176.094 0.175 0.000 1.047 469 V CA 1.634 64.072 62.300 0.230 0.000 1.035 469 V CB -0.604 31.304 31.823 0.142 0.000 0.658 469 V HN 0.482 nan 8.190 nan 0.000 0.452 470 K N 0.413 120.878 120.400 0.107 0.000 2.152 470 K HA -0.111 4.210 4.320 0.000 0.000 0.206 470 K C 1.881 178.518 176.600 0.063 0.000 1.048 470 K CA 1.422 57.752 56.287 0.072 0.000 0.933 470 K CB -0.446 32.080 32.500 0.044 0.000 0.721 470 K HN 0.556 nan 8.250 nan 0.000 0.447 471 G N 0.399 109.236 108.800 0.063 0.000 3.181 471 G HA2 0.150 4.110 3.960 0.000 0.000 0.219 471 G HA3 0.150 4.110 3.960 0.000 0.000 0.219 471 G C 0.151 175.046 174.900 -0.008 0.000 1.182 471 G CA 0.075 45.186 45.100 0.019 0.000 0.791 471 G HN 0.289 nan 8.290 nan 0.000 0.537 472 G N -1.172 107.667 108.800 0.066 0.000 2.605 472 G HA2 0.541 4.502 3.960 0.000 0.000 0.296 472 G HA3 0.541 4.502 3.960 0.000 0.000 0.296 472 G C -1.859 173.109 174.900 0.112 0.000 1.304 472 G CA -0.353 44.751 45.100 0.006 0.000 0.941 472 G HN -0.008 nan 8.290 nan 0.000 0.475 473 D N -1.728 118.718 120.400 0.077 0.000 2.687 473 D HA 0.642 5.282 4.640 0.000 0.000 0.264 473 D C 1.124 177.494 176.300 0.117 0.000 1.091 473 D CA 0.872 54.920 54.000 0.079 0.000 1.123 473 D CB 1.899 42.713 40.800 0.022 0.000 1.407 473 D HN 1.127 nan 8.370 nan 0.000 0.591 474 G N 0.932 109.780 108.800 0.081 0.000 2.583 474 G HA2 -0.301 3.659 3.960 0.000 0.000 0.292 474 G HA3 -0.301 3.659 3.960 0.000 0.000 0.292 474 G C 0.499 175.456 174.900 0.094 0.000 1.203 474 G CA 0.369 45.516 45.100 0.079 0.000 0.987 474 G HN 0.580 nan 8.290 nan 0.000 0.554 475 N N 0.268 119.029 118.700 0.101 0.000 2.238 475 N HA 0.147 4.888 4.740 0.000 0.000 0.222 475 N C 0.222 175.803 175.510 0.120 0.000 1.133 475 N CA 0.069 53.172 53.050 0.089 0.000 0.854 475 N CB 0.491 39.010 38.487 0.054 0.000 1.041 475 N HN 0.530 nan 8.380 nan 0.000 0.510 476 Y N 1.226 121.557 120.300 0.051 0.000 2.597 476 Y HA 0.324 4.874 4.550 0.000 0.000 0.336 476 Y C 0.760 176.723 175.900 0.105 0.000 1.216 476 Y CA 0.654 58.800 58.100 0.077 0.000 1.463 476 Y CB 0.443 38.947 38.460 0.074 0.000 1.303 476 Y HN 0.097 nan 8.280 nan 0.000 0.576 477 G N 3.259 111.611 108.800 -0.746 0.000 2.428 477 G HA2 0.151 4.111 3.960 0.000 0.000 0.305 477 G HA3 0.151 4.111 3.960 0.000 0.000 0.305 477 G C -2.455 172.225 174.900 -0.366 0.000 1.260 477 G CA -1.016 43.773 45.100 -0.519 0.000 0.853 477 G HN 0.655 nan 8.290 nan 0.000 0.480 478 Y N 1.848 121.927 120.300 -0.368 0.000 2.341 478 Y HA 0.575 5.125 4.550 0.000 0.000 0.340 478 Y C 0.314 175.991 175.900 -0.372 0.000 0.997 478 Y CA -1.429 56.320 58.100 -0.584 0.000 1.149 478 Y CB 1.304 39.437 38.460 -0.545 0.000 1.171 478 Y HN 0.407 nan 8.280 nan 0.000 0.494 479 N N 5.105 123.334 118.700 -0.784 0.000 2.466 479 N HA 0.061 4.801 4.740 0.000 0.000 0.263 479 N C 0.549 175.493 175.510 -0.944 0.000 1.178 479 N CA 0.611 53.272 53.050 -0.648 0.000 0.983 479 N CB 0.707 38.938 38.487 -0.428 0.000 1.331 479 N HN 0.877 nan 8.380 nan 0.000 0.500 480 A N 2.900 125.327 122.820 -0.656 0.000 2.225 480 A HA 0.005 4.325 4.320 0.000 0.000 0.215 480 A C 1.860 179.287 177.584 -0.262 0.000 1.164 480 A CA 1.433 53.221 52.037 -0.416 0.000 0.710 480 A CB -0.157 18.782 19.000 -0.101 0.000 0.780 480 A HN 0.671 nan 8.150 nan 0.000 0.473 481 A N -0.645 122.020 122.820 -0.259 0.000 1.901 481 A HA 0.083 4.403 4.320 0.000 0.000 0.210 481 A C 2.333 179.813 177.584 -0.174 0.000 1.208 481 A CA 1.839 53.775 52.037 -0.167 0.000 0.644 481 A CB -0.797 18.126 19.000 -0.128 0.000 0.863 481 A HN 0.671 nan 8.150 nan 0.000 0.454 482 T N -3.684 110.735 114.554 -0.225 0.000 3.051 482 T HA 0.190 4.540 4.350 0.000 0.000 0.255 482 T C 0.481 175.072 174.700 -0.182 0.000 1.085 482 T CA 1.038 63.035 62.100 -0.172 0.000 1.109 482 T CB -0.173 68.607 68.868 -0.147 0.000 0.921 482 T HN 0.568 nan 8.240 nan 0.000 0.488 483 E N 0.243 120.241 120.200 -0.337 0.000 3.828 483 E HA -0.126 4.225 4.350 0.000 0.000 0.329 483 E C -0.470 176.025 176.600 -0.175 0.000 0.788 483 E CA 0.455 56.695 56.400 -0.266 0.000 1.266 483 E CB -1.760 27.943 29.700 0.006 0.000 1.643 483 E HN 0.742 nan 8.360 nan 0.000 0.409 484 E N -0.542 119.476 120.200 -0.303 0.000 2.254 484 E HA 0.552 4.902 4.350 0.000 0.000 0.261 484 E C -0.581 175.866 176.600 -0.255 0.000 1.051 484 E CA -0.530 55.792 56.400 -0.130 0.000 0.902 484 E CB 0.863 30.512 29.700 -0.085 0.000 1.168 484 E HN 0.035 nan 8.360 nan 0.000 0.423 485 Y N -0.737 119.592 120.300 0.048 0.000 2.485 485 Y HA 0.652 5.202 4.550 0.000 0.000 0.345 485 Y C 0.604 176.521 175.900 0.028 0.000 0.998 485 Y CA -0.188 57.928 58.100 0.027 0.000 1.059 485 Y CB 2.478 41.025 38.460 0.145 0.000 1.234 485 Y HN 0.675 nan 8.280 nan 0.000 0.461 486 G N 1.236 110.100 108.800 0.105 0.000 2.335 486 G HA2 0.032 3.993 3.960 0.000 0.000 0.291 486 G HA3 0.032 3.993 3.960 0.000 0.000 0.291 486 G C -1.821 173.129 174.900 0.084 0.000 1.261 486 G CA -1.261 43.933 45.100 0.157 0.000 0.871 486 G HN 0.463 nan 8.290 nan 0.000 0.491 487 N N 1.058 119.826 118.700 0.112 0.000 2.438 487 N HA 0.126 4.866 4.740 0.000 0.000 0.267 487 N C 1.827 177.342 175.510 0.008 0.000 1.222 487 N CA -0.229 52.867 53.050 0.076 0.000 0.930 487 N CB 0.571 39.105 38.487 0.078 0.000 1.083 487 N HN 0.384 nan 8.380 nan 0.000 0.476 488 M N 3.515 123.104 119.600 -0.018 0.000 2.213 488 M HA -0.141 4.339 4.480 0.000 0.000 0.263 488 M C 1.486 177.771 176.300 -0.024 0.000 1.062 488 M CA 1.222 56.496 55.300 -0.043 0.000 1.105 488 M CB -0.442 32.131 32.600 -0.044 0.000 1.385 488 M HN 0.625 nan 8.290 nan 0.000 0.417 489 I N -0.181 120.387 120.570 -0.003 0.000 2.333 489 I HA -0.241 3.929 4.170 0.000 0.000 0.246 489 I C 1.847 177.963 176.117 -0.002 0.000 1.106 489 I CA 0.831 62.130 61.300 -0.001 0.000 1.411 489 I CB -0.428 37.577 38.000 0.009 0.000 1.082 489 I HN 0.196 nan 8.210 nan 0.000 0.420 490 D N 0.884 121.286 120.400 0.004 0.000 2.144 490 D HA -0.154 4.486 4.640 0.000 0.000 0.199 490 D C 2.143 178.438 176.300 -0.008 0.000 0.984 490 D CA 1.425 55.427 54.000 0.003 0.000 0.834 490 D CB -0.112 40.696 40.800 0.014 0.000 0.955 490 D HN 0.332 nan 8.370 nan 0.000 0.465 491 M N -0.685 118.903 119.600 -0.019 0.000 2.619 491 M HA 0.091 4.571 4.480 0.000 0.000 0.251 491 M C 1.194 177.469 176.300 -0.042 0.000 1.106 491 M CA 0.635 55.912 55.300 -0.038 0.000 1.086 491 M CB 0.384 32.948 32.600 -0.061 0.000 1.465 491 M HN 0.077 nan 8.290 nan 0.000 0.506 492 G N 1.229 110.010 108.800 -0.031 0.000 2.155 492 G HA2 -0.215 3.746 3.960 0.000 0.000 0.257 492 G HA3 -0.215 3.746 3.960 0.000 0.000 0.257 492 G C 0.169 175.047 174.900 -0.037 0.000 0.983 492 G CA -0.215 44.867 45.100 -0.029 0.000 0.676 492 G HN 0.424 nan 8.290 nan 0.000 0.528 493 I N 1.336 121.877 120.570 -0.048 0.000 2.571 493 I HA 0.352 4.523 4.170 0.000 0.000 0.282 493 I C 0.718 176.813 176.117 -0.037 0.000 1.085 493 I CA -0.233 61.033 61.300 -0.056 0.000 1.677 493 I CB -1.423 36.524 38.000 -0.089 0.000 1.460 493 I HN 0.316 nan 8.210 nan 0.000 0.693 494 L N -0.502 120.706 121.223 -0.024 0.000 2.323 494 L HA 0.820 5.160 4.340 0.000 0.000 0.265 494 L C -0.569 176.296 176.870 -0.008 0.000 1.012 494 L CA -0.415 54.417 54.840 -0.013 0.000 0.820 494 L CB 1.847 43.901 42.059 -0.008 0.000 1.334 494 L HN -0.068 nan 8.230 nan 0.000 0.427 495 D N 0.051 120.451 120.400 -0.001 0.000 2.645 495 D HA 0.471 5.111 4.640 0.000 0.000 0.228 495 D C -2.810 173.495 176.300 0.008 0.000 1.148 495 D CA -1.069 52.934 54.000 0.004 0.000 0.860 495 D CB 2.822 43.626 40.800 0.007 0.000 1.548 495 D HN 0.402 nan 8.370 nan 0.000 0.460 496 P HA 0.145 nan 4.420 nan 0.000 0.275 496 P C 0.763 178.072 177.300 0.015 0.000 1.227 496 P CA -0.148 62.959 63.100 0.012 0.000 0.781 496 P CB 0.707 32.415 31.700 0.014 0.000 0.906 497 T N 1.661 116.223 114.554 0.013 0.000 2.759 497 T HA -0.204 4.146 4.350 0.000 0.000 0.269 497 T C 1.628 176.337 174.700 0.016 0.000 1.042 497 T CA 1.261 63.369 62.100 0.013 0.000 1.140 497 T CB -0.347 68.527 68.868 0.010 0.000 0.864 497 T HN 0.503 nan 8.240 nan 0.000 0.455 498 K N 0.804 121.215 120.400 0.018 0.000 2.059 498 K HA -0.173 4.147 4.320 0.000 0.000 0.212 498 K C 2.427 179.049 176.600 0.038 0.000 1.050 498 K CA 1.998 58.300 56.287 0.025 0.000 0.927 498 K CB -0.392 32.124 32.500 0.026 0.000 0.714 498 K HN 0.401 nan 8.250 nan 0.000 0.447 499 V N -1.405 118.531 119.914 0.038 0.000 2.488 499 V HA -0.107 4.014 4.120 0.000 0.000 0.246 499 V C 1.846 177.969 176.094 0.049 0.000 1.046 499 V CA 2.005 64.334 62.300 0.048 0.000 1.053 499 V CB -0.602 31.244 31.823 0.038 0.000 0.679 499 V HN 0.250 nan 8.190 nan 0.000 0.458 500 T N 0.524 115.098 114.554 0.034 0.000 2.701 500 T HA -0.149 4.201 4.350 0.000 0.000 0.263 500 T C 2.005 176.722 174.700 0.028 0.000 1.040 500 T CA 2.166 64.283 62.100 0.030 0.000 1.147 500 T CB -0.388 68.493 68.868 0.021 0.000 0.865 500 T HN 0.552 nan 8.240 nan 0.000 0.426 501 R N 0.873 121.384 120.500 0.018 0.000 2.091 501 R HA -0.100 4.241 4.340 0.000 0.000 0.238 501 R C 2.628 178.925 176.300 -0.005 0.000 1.136 501 R CA 1.686 57.786 56.100 0.000 0.000 0.959 501 R CB -0.334 29.960 30.300 -0.011 0.000 0.856 501 R HN 0.256 nan 8.270 nan 0.000 0.437 502 S N 0.520 116.239 115.700 0.031 0.000 2.353 502 S HA -0.179 4.292 4.470 0.000 0.000 0.222 502 S C 2.046 176.762 174.600 0.193 0.000 1.035 502 S CA 1.327 59.581 58.200 0.090 0.000 1.025 502 S CB -0.407 62.920 63.200 0.211 0.000 0.902 502 S HN 0.583 nan 8.310 nan 0.000 0.440 503 A N 1.244 124.159 122.820 0.157 0.000 1.908 503 A HA -0.078 4.242 4.320 0.000 0.000 0.218 503 A C 2.169 179.815 177.584 0.104 0.000 1.181 503 A CA 1.446 53.567 52.037 0.140 0.000 0.627 503 A CB -0.779 18.269 19.000 0.081 0.000 0.818 503 A HN 0.466 nan 8.150 nan 0.000 0.445 504 L N -0.991 120.266 121.223 0.057 0.000 2.027 504 L HA -0.233 4.107 4.340 0.000 0.000 0.206 504 L C 2.795 179.673 176.870 0.014 0.000 1.074 504 L CA 1.838 56.696 54.840 0.030 0.000 0.745 504 L CB -0.320 41.747 42.059 0.014 0.000 0.898 504 L HN 0.485 nan 8.230 nan 0.000 0.433 505 Q N -1.582 118.197 119.800 -0.034 0.000 2.137 505 Q HA -0.177 4.163 4.340 0.000 0.000 0.198 505 Q C 2.021 177.963 176.000 -0.097 0.000 0.960 505 Q CA 1.310 57.052 55.803 -0.102 0.000 0.847 505 Q CB -0.077 28.546 28.738 -0.191 0.000 0.915 505 Q HN 0.499 nan 8.270 nan 0.000 0.448 506 Y N 0.470 120.773 120.300 0.006 0.000 2.224 506 Y HA -0.188 4.363 4.550 0.000 0.000 0.289 506 Y C 2.398 178.302 175.900 0.006 0.000 1.146 506 Y CA 1.033 59.136 58.100 0.005 0.000 1.182 506 Y CB -0.626 37.836 38.460 0.005 0.000 0.983 506 Y HN 0.130 nan 8.280 nan 0.000 0.524 507 A N 0.076 122.988 122.820 0.154 0.000 1.877 507 A HA -0.150 4.170 4.320 0.000 0.000 0.216 507 A C 2.485 180.104 177.584 0.058 0.000 1.186 507 A CA 1.939 54.029 52.037 0.087 0.000 0.620 507 A CB -1.283 17.756 19.000 0.065 0.000 0.822 507 A HN 0.393 nan 8.150 nan 0.000 0.443 508 A N -0.876 121.968 122.820 0.040 0.000 1.940 508 A HA -0.124 4.197 4.320 0.000 0.000 0.219 508 A C 2.465 180.064 177.584 0.026 0.000 1.176 508 A CA 2.231 54.281 52.037 0.022 0.000 0.631 508 A CB -0.943 18.058 19.000 0.002 0.000 0.814 508 A HN 0.550 nan 8.150 nan 0.000 0.446 509 S N -0.357 115.365 115.700 0.037 0.000 2.348 509 S HA -0.162 4.308 4.470 0.000 0.000 0.221 509 S C 2.054 176.686 174.600 0.054 0.000 1.033 509 S CA 2.170 60.398 58.200 0.047 0.000 1.010 509 S CB -0.798 62.447 63.200 0.074 0.000 0.891 509 S HN 0.931 nan 8.310 nan 0.000 0.442 510 V N 0.612 120.565 119.914 0.066 0.000 2.490 510 V HA 0.059 4.179 4.120 0.000 0.000 0.250 510 V C 2.498 178.615 176.094 0.037 0.000 1.061 510 V CA 1.539 63.869 62.300 0.050 0.000 1.064 510 V CB -1.775 30.078 31.823 0.049 0.000 0.670 510 V HN 0.511 nan 8.190 nan 0.000 0.461 511 A N 1.704 124.545 122.820 0.034 0.000 1.858 511 A HA 0.045 4.365 4.320 0.000 0.000 0.216 511 A C 2.442 180.040 177.584 0.023 0.000 1.190 511 A CA 2.075 54.127 52.037 0.026 0.000 0.617 511 A CB -1.589 17.424 19.000 0.023 0.000 0.827 511 A HN 0.662 nan 8.150 nan 0.000 0.443 512 G N -0.530 108.283 108.800 0.022 0.000 2.422 512 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 512 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 512 G C 1.414 176.327 174.900 0.022 0.000 1.146 512 G CA 1.233 46.344 45.100 0.019 0.000 0.769 512 G HN 0.328 nan 8.290 nan 0.000 0.547 513 L N 0.285 121.524 121.223 0.027 0.000 1.976 513 L HA 0.073 4.413 4.340 0.000 0.000 0.209 513 L C 3.080 179.967 176.870 0.028 0.000 1.071 513 L CA 1.535 56.393 54.840 0.029 0.000 0.746 513 L CB -0.611 41.468 42.059 0.034 0.000 0.890 513 L HN 0.191 nan 8.230 nan 0.000 0.432 514 M N -1.529 118.087 119.600 0.027 0.000 2.279 514 M HA -0.199 4.281 4.480 0.000 0.000 0.264 514 M C 2.247 178.560 176.300 0.021 0.000 1.062 514 M CA 1.538 56.853 55.300 0.025 0.000 1.099 514 M CB -0.359 32.254 32.600 0.023 0.000 1.394 514 M HN 0.217 nan 8.290 nan 0.000 0.426 515 I N -0.060 120.521 120.570 0.019 0.000 2.202 515 I HA -0.251 3.919 4.170 0.000 0.000 0.242 515 I C 2.515 178.643 176.117 0.018 0.000 1.091 515 I CA 1.818 63.128 61.300 0.016 0.000 1.368 515 I CB -0.461 37.547 38.000 0.014 0.000 1.058 515 I HN 0.396 nan 8.210 nan 0.000 0.410 516 T N -3.399 111.167 114.554 0.020 0.000 3.081 516 T HA 0.062 4.413 4.350 0.000 0.000 0.255 516 T C 0.936 175.652 174.700 0.027 0.000 1.113 516 T CA 0.005 62.117 62.100 0.021 0.000 1.082 516 T CB -0.544 68.335 68.868 0.019 0.000 0.939 516 T HN 0.040 nan 8.240 nan 0.000 0.506 517 T N 3.087 117.660 114.554 0.031 0.000 2.870 517 T HA 0.170 4.520 4.350 0.000 0.000 0.300 517 T C 0.632 175.360 174.700 0.047 0.000 0.989 517 T CA -0.171 61.953 62.100 0.040 0.000 1.139 517 T CB 0.885 69.777 68.868 0.040 0.000 0.920 517 T HN 0.215 nan 8.240 nan 0.000 0.537 518 E N 0.483 120.721 120.200 0.064 0.000 2.562 518 E HA 0.214 4.564 4.350 0.000 0.000 0.214 518 E C -0.046 176.642 176.600 0.146 0.000 0.979 518 E CA -0.012 56.441 56.400 0.087 0.000 1.002 518 E CB 0.687 30.432 29.700 0.074 0.000 1.048 518 E HN 0.528 nan 8.360 nan 0.000 0.488 519 C N 0.660 120.035 119.300 0.126 0.000 3.181 519 C HA 0.605 5.065 4.460 0.000 0.000 0.362 519 C C -1.536 173.503 174.990 0.083 0.000 1.125 519 C CA -0.580 58.521 59.018 0.139 0.000 1.265 519 C CB 0.547 28.439 27.740 0.252 0.000 1.632 519 C HN 0.127 nan 8.230 nan 0.000 0.525 520 M N 4.709 124.345 119.600 0.060 0.000 2.464 520 M HA 0.662 5.143 4.480 0.000 0.000 0.308 520 M C -1.098 175.309 176.300 0.178 0.000 1.127 520 M CA -0.693 54.692 55.300 0.141 0.000 0.913 520 M CB 2.143 34.897 32.600 0.257 0.000 1.689 520 M HN 0.381 nan 8.290 nan 0.000 0.445 521 V N 0.842 120.821 119.914 0.108 0.000 2.588 521 V HA 0.664 4.785 4.120 0.000 0.000 0.304 521 V C -0.457 175.564 176.094 -0.122 0.000 1.042 521 V CA -0.522 61.790 62.300 0.020 0.000 0.877 521 V CB 2.042 33.869 31.823 0.008 0.000 0.996 521 V HN 0.926 nan 8.190 nan 0.000 0.425 522 T N 2.172 116.546 114.554 -0.300 0.000 2.886 522 T HA 0.396 4.746 4.350 0.000 0.000 0.292 522 T C -0.810 173.723 174.700 -0.278 0.000 1.012 522 T CA -0.488 61.363 62.100 -0.415 0.000 0.982 522 T CB 1.559 69.897 68.868 -0.883 0.000 1.018 522 T HN 0.868 nan 8.240 nan 0.000 0.451 523 D N 2.454 122.739 120.400 -0.192 0.000 2.400 523 D HA 0.160 4.800 4.640 0.000 0.000 0.238 523 D C 0.049 176.257 176.300 -0.154 0.000 1.157 523 D CA 0.057 53.975 54.000 -0.136 0.000 0.889 523 D CB 0.502 41.245 40.800 -0.095 0.000 1.199 523 D HN 0.449 nan 8.370 nan 0.000 0.436 524 L N 4.181 125.340 121.223 -0.106 0.000 2.385 524 L HA 0.582 4.922 4.340 0.000 0.000 0.285 524 L C -1.519 175.308 176.870 -0.070 0.000 1.125 524 L CA -0.160 54.627 54.840 -0.088 0.000 0.890 524 L CB -0.582 41.444 42.059 -0.055 0.000 1.251 524 L HN 0.544 nan 8.230 nan 0.000 0.445 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726