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 2iir_1_J DATA FIRST_RESID 1 DATA SEQUENCE MRVLVINSGS SSIKYQLIEM EGEKVLCKGI AERIGIEGSR LVHRVGDEKH DATA SEQUENCE VIERELPDHE EALKLILNTL VDEKLGVIKD LKEIDAVGHR VVHGGERFKE DATA SEQUENCE SVLVDEEVLK AIEEVSPLAP LHNPANLMGI KAAMKLLPGV PNVAVFDTAF DATA SEQUENCE HQTIPQKAYL YAIPYEYYEK YKIRRYGFHG TSHRYVSKRA AEILGKKLEE DATA SEQUENCE LKIITCHIGN GASVAAVKYG KCVDTSMGFT PLEGLVMGTR SGDLDPAIPF DATA SEQUENCE FIMEKEGISP QEMYDILNKK SGVYGLSKGF SSDMRDIEEA ALKGDEWCKL DATA SEQUENCE VLEIYDYRIA KYIGAYAAAM NGVDAIVFTA GVGENSPITR EDVCSYLEFL DATA SEQUENCE GVKLDKQKNE ETIRGKEGII STPDSRVKVL VVPTNEELMI ARDTKEIVEK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 2.633 123.128 120.500 -0.008 0.000 2.320 2 R HA 0.645 4.985 4.340 -0.000 0.000 0.319 2 R C -1.249 175.041 176.300 -0.017 0.000 0.969 2 R CA -0.582 55.512 56.100 -0.010 0.000 0.857 2 R CB 1.903 32.199 30.300 -0.007 0.000 1.160 2 R HN 0.414 nan 8.270 nan 0.000 0.491 3 V N 4.787 124.689 119.914 -0.021 0.000 2.427 3 V HA 0.263 4.383 4.120 -0.000 0.000 0.286 3 V C -0.294 175.779 176.094 -0.036 0.000 1.034 3 V CA -0.863 61.416 62.300 -0.034 0.000 0.893 3 V CB 1.533 33.332 31.823 -0.040 0.000 0.982 3 V HN 0.503 nan 8.190 nan 0.000 0.452 4 L N 6.987 128.179 121.223 -0.053 0.000 2.257 4 L HA 0.554 4.894 4.340 -0.000 0.000 0.290 4 L C -0.328 176.483 176.870 -0.098 0.000 1.044 4 L CA 0.337 55.145 54.840 -0.054 0.000 0.810 4 L CB 1.293 43.310 42.059 -0.069 0.000 1.193 4 L HN 0.450 nan 8.230 nan 0.000 0.425 5 V N 7.179 127.055 119.914 -0.063 0.000 2.370 5 V HA 0.447 4.567 4.120 -0.000 0.000 0.279 5 V C 0.262 176.313 176.094 -0.071 0.000 1.029 5 V CA -0.321 61.920 62.300 -0.098 0.000 0.870 5 V CB 1.242 33.021 31.823 -0.073 0.000 0.984 5 V HN 0.647 nan 8.190 nan 0.000 0.451 6 I N 4.541 125.021 120.570 -0.150 0.000 2.530 6 I HA 0.454 4.624 4.170 -0.000 0.000 0.297 6 I C -0.084 176.019 176.117 -0.023 0.000 1.011 6 I CA -0.342 60.912 61.300 -0.075 0.000 1.107 6 I CB 1.894 39.806 38.000 -0.147 0.000 1.285 6 I HN 0.671 nan 8.210 nan 0.000 0.436 7 N N 4.281 123.003 118.700 0.037 0.000 2.609 7 N HA 0.250 4.990 4.740 -0.000 0.000 0.268 7 N C -1.319 174.243 175.510 0.086 0.000 1.106 7 N CA -0.363 52.716 53.050 0.048 0.000 0.823 7 N CB 1.026 39.529 38.487 0.026 0.000 1.263 7 N HN 0.588 nan 8.380 nan 0.000 0.533 8 S N 1.455 117.215 115.700 0.101 0.000 2.420 8 S HA 0.562 5.032 4.470 -0.000 0.000 0.313 8 S C 0.618 175.283 174.600 0.108 0.000 1.079 8 S CA -0.767 57.510 58.200 0.128 0.000 1.104 8 S CB 1.541 64.807 63.200 0.111 0.000 0.969 8 S HN 0.501 nan 8.310 nan 0.000 0.471 9 G N 1.379 110.267 108.800 0.147 0.000 2.531 9 G HA2 0.447 4.407 3.960 -0.000 0.000 0.313 9 G HA3 0.447 4.407 3.960 -0.000 0.000 0.313 9 G C 0.916 175.926 174.900 0.183 0.000 1.238 9 G CA -0.413 44.769 45.100 0.136 0.000 0.994 9 G HN 0.828 nan 8.290 nan 0.000 0.493 10 S N -1.206 114.557 115.700 0.105 0.000 2.419 10 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 10 S C 1.980 176.673 174.600 0.155 0.000 1.019 10 S CA 1.932 60.203 58.200 0.119 0.000 0.982 10 S CB -0.104 63.103 63.200 0.012 0.000 0.789 10 S HN 0.430 nan 8.310 nan 0.000 0.490 11 S N 0.353 116.109 115.700 0.094 0.000 2.526 11 S HA 0.397 4.867 4.470 -0.000 0.000 0.220 11 S C 0.240 174.833 174.600 -0.013 0.000 1.017 11 S CA 0.093 58.306 58.200 0.021 0.000 0.930 11 S CB 0.142 63.349 63.200 0.011 0.000 0.856 11 S HN 0.820 nan 8.310 nan 0.000 0.497 12 S N 0.183 115.913 115.700 0.050 0.000 2.547 12 S HA 0.647 5.117 4.470 -0.000 0.000 0.270 12 S C -1.270 173.400 174.600 0.117 0.000 1.150 12 S CA -0.898 57.324 58.200 0.037 0.000 0.850 12 S CB 1.047 64.270 63.200 0.039 0.000 1.118 12 S HN 0.188 nan 8.310 nan 0.000 0.461 13 I N 2.005 122.641 120.570 0.110 0.000 2.404 13 I HA 0.496 4.666 4.170 -0.000 0.000 0.293 13 I C -0.276 175.928 176.117 0.144 0.000 0.992 13 I CA -0.683 60.712 61.300 0.158 0.000 1.149 13 I CB 1.941 40.047 38.000 0.178 0.000 1.315 13 I HN 0.793 nan 8.210 nan 0.000 0.446 14 K N 6.381 126.849 120.400 0.113 0.000 2.345 14 K HA 0.623 4.943 4.320 -0.000 0.000 0.255 14 K C -1.539 175.100 176.600 0.066 0.000 0.934 14 K CA -0.782 55.533 56.287 0.047 0.000 0.801 14 K CB 1.837 34.321 32.500 -0.027 0.000 1.137 14 K HN 0.562 nan 8.250 nan 0.000 0.424 15 Y N -0.921 119.375 120.300 -0.005 0.000 2.536 15 Y HA 0.506 5.056 4.550 -0.000 0.000 0.347 15 Y C -1.048 174.842 175.900 -0.015 0.000 1.000 15 Y CA -1.148 56.937 58.100 -0.024 0.000 1.051 15 Y CB 1.946 40.387 38.460 -0.033 0.000 1.259 15 Y HN 0.572 nan 8.280 nan 0.000 0.468 16 Q N 2.223 122.093 119.800 0.116 0.000 2.372 16 Q HA 0.495 4.835 4.340 -0.000 0.000 0.273 16 Q C -2.012 174.058 176.000 0.116 0.000 1.078 16 Q CA -1.179 54.670 55.803 0.077 0.000 0.806 16 Q CB 3.357 32.088 28.738 -0.012 0.000 1.332 16 Q HN 0.783 nan 8.270 nan 0.000 0.435 17 L N 3.682 124.979 121.223 0.124 0.000 2.301 17 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 17 L C -1.321 175.571 176.870 0.037 0.000 1.022 17 L CA -0.022 54.863 54.840 0.074 0.000 0.854 17 L CB 0.668 42.780 42.059 0.088 0.000 1.226 17 L HN 0.539 nan 8.230 nan 0.000 0.429 18 I N 3.557 124.133 120.570 0.010 0.000 2.437 18 I HA 0.361 4.531 4.170 -0.000 0.000 0.298 18 I C 0.209 176.324 176.117 -0.003 0.000 0.984 18 I CA -0.561 60.737 61.300 -0.002 0.000 1.214 18 I CB 1.575 39.563 38.000 -0.020 0.000 1.365 18 I HN 0.457 nan 8.210 nan 0.000 0.469 19 E N 6.512 126.712 120.200 -0.001 0.000 2.070 19 E HA 0.178 4.528 4.350 -0.000 0.000 0.261 19 E C 0.621 177.219 176.600 -0.003 0.000 0.926 19 E CA -0.506 55.893 56.400 -0.001 0.000 0.760 19 E CB 0.969 30.671 29.700 0.003 0.000 1.133 19 E HN 0.576 nan 8.360 nan 0.000 0.420 20 M N 2.179 121.776 119.600 -0.005 0.000 2.103 20 M HA -0.251 4.229 4.480 -0.000 0.000 0.255 20 M C 1.419 177.719 176.300 -0.000 0.000 1.074 20 M CA 1.843 57.140 55.300 -0.005 0.000 1.090 20 M CB -0.795 31.801 32.600 -0.006 0.000 1.325 20 M HN 0.500 nan 8.290 nan 0.000 0.403 21 E N -0.619 119.582 120.200 0.001 0.000 2.058 21 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 21 E C 2.019 178.621 176.600 0.004 0.000 0.997 21 E CA 1.484 57.886 56.400 0.003 0.000 0.801 21 E CB -0.380 29.322 29.700 0.003 0.000 0.746 21 E HN 0.650 nan 8.360 nan 0.000 0.450 22 G N -0.113 108.689 108.800 0.004 0.000 2.939 22 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.210 22 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.210 22 G C 0.053 174.956 174.900 0.004 0.000 1.160 22 G CA -0.188 44.914 45.100 0.005 0.000 0.770 22 G HN 0.180 nan 8.290 nan 0.000 0.543 23 E N -0.438 119.763 120.200 0.002 0.000 2.297 23 E HA -0.179 4.171 4.350 -0.000 0.000 0.228 23 E C -0.260 176.338 176.600 -0.003 0.000 1.213 23 E CA 0.566 56.964 56.400 -0.002 0.000 0.712 23 E CB -0.858 28.844 29.700 0.003 0.000 1.202 23 E HN 0.478 nan 8.360 nan 0.000 0.376 24 K N 0.142 120.542 120.400 -0.001 0.000 2.182 24 K HA 0.425 4.745 4.320 -0.000 0.000 0.262 24 K C -0.148 176.452 176.600 0.000 0.000 0.957 24 K CA -0.701 55.586 56.287 -0.000 0.000 0.842 24 K CB 2.067 34.569 32.500 0.003 0.000 1.099 24 K HN -0.133 nan 8.250 nan 0.000 0.438 25 V N 5.404 125.317 119.914 -0.002 0.000 2.405 25 V HA -0.033 4.086 4.120 -0.000 0.000 0.264 25 V C 0.989 177.093 176.094 0.017 0.000 1.048 25 V CA 0.031 62.333 62.300 0.004 0.000 0.966 25 V CB 0.662 32.480 31.823 -0.007 0.000 1.015 25 V HN 0.684 nan 8.190 nan 0.000 0.477 26 L N 5.533 126.775 121.223 0.032 0.000 2.131 26 L HA 0.105 4.445 4.340 -0.000 0.000 0.206 26 L C 0.929 177.838 176.870 0.064 0.000 1.087 26 L CA 1.212 56.077 54.840 0.042 0.000 0.767 26 L CB -0.437 41.649 42.059 0.045 0.000 0.917 26 L HN 0.955 nan 8.230 nan 0.000 0.441 27 C N -2.434 116.925 119.300 0.098 0.000 3.303 27 C HA 0.650 5.110 4.460 -0.000 0.000 0.340 27 C C -0.799 174.283 174.990 0.154 0.000 1.274 27 C CA -1.359 57.744 59.018 0.142 0.000 1.234 27 C CB 1.461 29.373 27.740 0.286 0.000 1.532 27 C HN 0.461 nan 8.230 nan 0.000 0.483 28 K N 1.889 122.341 120.400 0.087 0.000 2.522 28 K HA 0.974 5.294 4.320 -0.000 0.000 0.275 28 K C -0.296 176.089 176.600 -0.357 0.000 1.006 28 K CA 0.016 56.212 56.287 -0.152 0.000 0.890 28 K CB 1.696 34.102 32.500 -0.157 0.000 1.475 28 K HN 2.356 nan 8.250 nan 0.000 0.441 29 G N 0.168 108.386 108.800 -0.971 0.000 2.348 29 G HA2 0.455 4.415 3.960 -0.000 0.000 0.296 29 G HA3 0.455 4.415 3.960 -0.000 0.000 0.296 29 G C -2.057 172.461 174.900 -0.637 0.000 1.258 29 G CA -0.659 44.029 45.100 -0.687 0.000 0.868 29 G HN 0.752 nan 8.290 nan 0.000 0.488 30 I N -0.250 120.206 120.570 -0.189 0.000 2.692 30 I HA 0.675 4.845 4.170 -0.000 0.000 0.293 30 I C -0.541 175.639 176.117 0.105 0.000 1.200 30 I CA -1.087 60.201 61.300 -0.019 0.000 1.036 30 I CB 1.950 39.931 38.000 -0.033 0.000 1.258 30 I HN 1.019 nan 8.210 nan 0.000 0.421 31 A N 6.629 129.530 122.820 0.135 0.000 2.260 31 A HA 0.568 4.888 4.320 -0.000 0.000 0.312 31 A C -0.455 177.148 177.584 0.031 0.000 1.321 31 A CA -0.307 51.779 52.037 0.083 0.000 0.928 31 A CB 0.368 19.409 19.000 0.070 0.000 1.158 31 A HN 0.796 nan 8.150 nan 0.000 0.542 32 E N 0.941 121.152 120.200 0.017 0.000 2.227 32 E HA 0.528 4.878 4.350 -0.000 0.000 0.268 32 E C -0.327 176.263 176.600 -0.017 0.000 0.990 32 E CA -0.883 55.518 56.400 0.001 0.000 0.856 32 E CB 0.907 30.611 29.700 0.007 0.000 1.159 32 E HN 0.629 nan 8.360 nan 0.000 0.401 33 R N 0.909 121.396 120.500 -0.023 0.000 3.422 33 R HA -0.198 4.142 4.340 -0.000 0.000 0.267 33 R C -0.457 175.813 176.300 -0.050 0.000 1.074 33 R CA 0.137 56.220 56.100 -0.029 0.000 0.718 33 R CB -2.056 28.234 30.300 -0.018 0.000 1.157 33 R HN 0.522 nan 8.270 nan 0.000 0.440 34 I N 0.468 120.986 120.570 -0.087 0.000 2.598 34 I HA 0.020 4.190 4.170 -0.000 0.000 0.284 34 I C 1.751 177.807 176.117 -0.102 0.000 1.140 34 I CA 1.601 62.818 61.300 -0.138 0.000 1.420 34 I CB 0.706 38.523 38.000 -0.305 0.000 1.387 34 I HN 0.594 nan 8.210 nan 0.000 0.553 35 G N 5.873 114.628 108.800 -0.074 0.000 2.336 35 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.233 35 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.233 35 G C 0.313 175.197 174.900 -0.028 0.000 1.053 35 G CA -0.216 44.858 45.100 -0.042 0.000 0.625 35 G HN 0.510 nan 8.290 nan 0.000 0.511 36 I N 1.263 121.816 120.570 -0.029 0.000 2.970 36 I HA 0.485 4.655 4.170 -0.000 0.000 0.310 36 I C 0.865 176.971 176.117 -0.018 0.000 1.010 36 I CA -0.801 60.488 61.300 -0.019 0.000 1.228 36 I CB 1.014 39.004 38.000 -0.017 0.000 1.433 36 I HN 0.241 nan 8.210 nan 0.000 0.573 37 E N 1.383 121.575 120.200 -0.013 0.000 2.383 37 E HA 0.252 4.602 4.350 -0.000 0.000 0.264 37 E C 0.594 177.188 176.600 -0.009 0.000 1.050 37 E CA 0.560 56.953 56.400 -0.010 0.000 0.896 37 E CB 0.637 30.332 29.700 -0.008 0.000 0.982 37 E HN 0.809 nan 8.360 nan 0.000 0.424 38 G N 3.077 111.873 108.800 -0.008 0.000 2.323 38 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.292 38 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.292 38 G C 0.018 174.914 174.900 -0.006 0.000 1.040 38 G CA 0.465 45.562 45.100 -0.005 0.000 0.942 38 G HN 0.636 nan 8.290 nan 0.000 0.506 39 S N -0.772 114.921 115.700 -0.011 0.000 2.579 39 S HA 0.720 5.190 4.470 -0.000 0.000 0.275 39 S C 0.441 175.039 174.600 -0.005 0.000 1.345 39 S CA 0.474 58.665 58.200 -0.014 0.000 1.031 39 S CB 1.587 64.770 63.200 -0.027 0.000 0.892 39 S HN 1.496 nan 8.310 nan 0.000 0.529 40 R N -0.036 120.465 120.500 0.002 0.000 2.712 40 R HA 0.681 5.021 4.340 -0.000 0.000 0.272 40 R C -2.085 174.234 176.300 0.031 0.000 1.032 40 R CA -1.143 54.967 56.100 0.016 0.000 0.874 40 R CB 0.766 31.078 30.300 0.020 0.000 1.256 40 R HN 0.551 nan 8.270 nan 0.000 0.468 41 L N 1.360 122.614 121.223 0.051 0.000 2.305 41 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 41 L C -1.363 175.576 176.870 0.116 0.000 1.013 41 L CA -0.649 54.243 54.840 0.088 0.000 0.819 41 L CB 2.128 44.237 42.059 0.083 0.000 1.227 41 L HN 0.533 nan 8.230 nan 0.000 0.417 42 V N 5.555 125.538 119.914 0.116 0.000 2.350 42 V HA 0.333 4.453 4.120 -0.000 0.000 0.276 42 V C -0.423 175.782 176.094 0.185 0.000 1.028 42 V CA -0.373 61.996 62.300 0.115 0.000 0.860 42 V CB 0.843 32.694 31.823 0.048 0.000 0.990 42 V HN 0.797 nan 8.190 nan 0.000 0.453 43 H N 6.170 125.305 119.070 0.107 0.000 2.589 43 H HA 0.573 5.129 4.556 -0.000 0.000 0.335 43 H C -0.494 174.914 175.328 0.133 0.000 1.019 43 H CA -1.014 55.128 56.048 0.156 0.000 1.213 43 H CB 1.065 30.959 29.762 0.221 0.000 1.472 43 H HN 0.564 nan 8.280 nan 0.000 0.508 44 R N 4.033 124.518 120.500 -0.024 0.000 2.295 44 R HA 0.353 4.693 4.340 -0.000 0.000 0.324 44 R C -1.063 175.125 176.300 -0.185 0.000 0.968 44 R CA -0.769 55.258 56.100 -0.122 0.000 0.837 44 R CB 2.108 32.366 30.300 -0.069 0.000 1.133 44 R HN 0.244 nan 8.270 nan 0.000 0.450 45 V N 3.833 123.641 119.914 -0.176 0.000 2.289 45 V HA 0.418 4.538 4.120 -0.000 0.000 0.272 45 V C 0.958 177.025 176.094 -0.046 0.000 1.026 45 V CA 0.042 62.279 62.300 -0.105 0.000 0.807 45 V CB 0.440 32.198 31.823 -0.108 0.000 1.044 45 V HN 1.113 nan 8.190 nan 0.000 0.443 46 G N 4.682 113.461 108.800 -0.036 0.000 2.565 46 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.295 46 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.295 46 G C 0.527 175.402 174.900 -0.042 0.000 1.165 46 G CA 0.785 45.868 45.100 -0.029 0.000 0.977 46 G HN 0.549 nan 8.290 nan 0.000 0.546 47 D N 2.155 122.531 120.400 -0.040 0.000 2.234 47 D HA 0.165 4.805 4.640 -0.000 0.000 0.205 47 D C 1.283 177.534 176.300 -0.083 0.000 0.962 47 D CA 1.149 55.118 54.000 -0.051 0.000 0.855 47 D CB -0.039 40.737 40.800 -0.040 0.000 0.951 47 D HN 0.680 nan 8.370 nan 0.000 0.500 48 E N 0.741 120.882 120.200 -0.098 0.000 2.331 48 E HA 0.231 4.581 4.350 -0.000 0.000 0.272 48 E C 0.085 176.523 176.600 -0.270 0.000 1.036 48 E CA -0.219 56.056 56.400 -0.208 0.000 0.864 48 E CB 1.364 30.968 29.700 -0.161 0.000 1.035 48 E HN -0.127 nan 8.360 nan 0.000 0.408 49 K N 3.283 123.461 120.400 -0.371 0.000 2.507 49 K HA 0.183 4.503 4.320 -0.000 0.000 0.253 49 K C -1.240 175.160 176.600 -0.334 0.000 0.969 49 K CA -0.527 55.606 56.287 -0.256 0.000 0.908 49 K CB 0.578 32.995 32.500 -0.138 0.000 1.127 49 K HN 0.543 nan 8.250 nan 0.000 0.437 50 H N 2.418 121.483 119.070 -0.008 0.000 2.467 50 H HA 0.268 4.824 4.556 -0.000 0.000 0.326 50 H C -0.648 174.718 175.328 0.062 0.000 1.094 50 H CA -0.773 55.293 56.048 0.030 0.000 1.253 50 H CB 1.927 31.719 29.762 0.050 0.000 1.439 50 H HN 0.187 nan 8.280 nan 0.000 0.479 51 V N 5.850 125.849 119.914 0.142 0.000 2.370 51 V HA 0.226 4.346 4.120 -0.000 0.000 0.283 51 V C 0.348 176.499 176.094 0.096 0.000 1.023 51 V CA -0.470 61.889 62.300 0.099 0.000 0.857 51 V CB 1.048 32.903 31.823 0.052 0.000 0.985 51 V HN 0.560 nan 8.190 nan 0.000 0.443 52 I N 4.968 125.591 120.570 0.087 0.000 2.355 52 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 52 I C 0.100 176.240 176.117 0.038 0.000 0.999 52 I CA -0.606 60.729 61.300 0.059 0.000 1.163 52 I CB 1.457 39.488 38.000 0.052 0.000 1.316 52 I HN 0.507 nan 8.210 nan 0.000 0.454 53 E N 7.411 127.627 120.200 0.027 0.000 2.289 53 E HA 0.489 4.839 4.350 -0.000 0.000 0.278 53 E C -0.447 176.158 176.600 0.009 0.000 1.032 53 E CA -0.271 56.138 56.400 0.016 0.000 0.854 53 E CB 2.255 31.963 29.700 0.013 0.000 1.046 53 E HN 0.512 nan 8.360 nan 0.000 0.409 54 R N 1.891 122.393 120.500 0.003 0.000 2.739 54 R HA 0.071 4.411 4.340 -0.000 0.000 0.266 54 R C -1.215 175.080 176.300 -0.008 0.000 1.044 54 R CA -0.514 55.584 56.100 -0.003 0.000 0.885 54 R CB 1.279 31.576 30.300 -0.005 0.000 1.260 54 R HN 0.451 nan 8.270 nan 0.000 0.477 55 E N 3.022 123.215 120.200 -0.011 0.000 2.351 55 E HA 0.106 4.456 4.350 -0.000 0.000 0.266 55 E C -0.671 175.916 176.600 -0.021 0.000 1.031 55 E CA 0.367 56.758 56.400 -0.015 0.000 0.911 55 E CB 0.601 30.293 29.700 -0.013 0.000 0.986 55 E HN 0.246 nan 8.360 nan 0.000 0.446 56 L N 6.804 128.010 121.223 -0.029 0.000 2.384 56 L HA 0.249 4.589 4.340 -0.000 0.000 0.261 56 L C -1.661 175.179 176.870 -0.050 0.000 1.024 56 L CA -1.596 53.220 54.840 -0.041 0.000 0.899 56 L CB 1.304 43.332 42.059 -0.053 0.000 1.243 56 L HN 0.418 nan 8.230 nan 0.000 0.449 57 P HA -0.074 nan 4.420 nan 0.000 0.220 57 P C -0.265 177.013 177.300 -0.036 0.000 1.152 57 P CA 1.097 64.179 63.100 -0.030 0.000 0.812 57 P CB 0.229 31.919 31.700 -0.015 0.000 0.792 58 D N -2.827 117.549 120.400 -0.040 0.000 2.752 58 D HA 0.065 4.705 4.640 -0.000 0.000 0.313 58 D C 0.646 176.908 176.300 -0.064 0.000 1.225 58 D CA -0.740 53.244 54.000 -0.026 0.000 0.976 58 D CB -0.149 40.683 40.800 0.053 0.000 1.443 58 D HN -0.171 nan 8.370 nan 0.000 0.515 59 H N -0.726 118.345 119.070 0.002 0.000 2.428 59 H HA 0.045 4.601 4.556 -0.000 0.000 0.296 59 H C 1.618 176.947 175.328 0.001 0.000 1.062 59 H CA 1.802 57.854 56.048 0.006 0.000 1.350 59 H CB 0.314 30.082 29.762 0.010 0.000 1.403 59 H HN 0.582 nan 8.280 nan 0.000 0.533 60 E N 0.732 120.998 120.200 0.111 0.000 2.017 60 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 60 E C 1.621 178.233 176.600 0.019 0.000 0.997 60 E CA 1.023 57.454 56.400 0.053 0.000 0.804 60 E CB 0.213 29.934 29.700 0.035 0.000 0.757 60 E HN 0.330 nan 8.360 nan 0.000 0.448 61 E N 0.204 120.407 120.200 0.006 0.000 2.209 61 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 61 E C 1.720 178.306 176.600 -0.023 0.000 0.993 61 E CA 0.979 57.372 56.400 -0.012 0.000 0.819 61 E CB -0.270 29.421 29.700 -0.015 0.000 0.745 61 E HN 0.392 nan 8.360 nan 0.000 0.477 62 A N 0.708 123.513 122.820 -0.026 0.000 1.872 62 A HA -0.104 4.215 4.320 -0.000 0.000 0.214 62 A C 2.203 179.769 177.584 -0.030 0.000 1.187 62 A CA 1.010 53.027 52.037 -0.034 0.000 0.614 62 A CB -0.526 18.439 19.000 -0.059 0.000 0.826 62 A HN 0.262 nan 8.150 nan 0.000 0.442 63 L N -0.028 121.189 121.223 -0.009 0.000 2.093 63 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 63 L C 2.199 179.026 176.870 -0.071 0.000 1.085 63 L CA 2.386 57.206 54.840 -0.033 0.000 0.755 63 L CB -0.589 41.475 42.059 0.009 0.000 0.904 63 L HN 0.449 nan 8.230 nan 0.000 0.435 64 K N -0.807 119.563 120.400 -0.049 0.000 2.001 64 K HA -0.263 4.057 4.320 -0.000 0.000 0.214 64 K C 2.127 178.678 176.600 -0.081 0.000 1.050 64 K CA 2.165 58.418 56.287 -0.057 0.000 0.934 64 K CB -0.495 31.983 32.500 -0.037 0.000 0.718 64 K HN 0.295 nan 8.250 nan 0.000 0.443 65 L N 1.379 122.557 121.223 -0.074 0.000 2.081 65 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 65 L C 1.905 178.688 176.870 -0.145 0.000 1.080 65 L CA 1.606 56.395 54.840 -0.085 0.000 0.754 65 L CB -0.268 41.757 42.059 -0.057 0.000 0.893 65 L HN 0.300 nan 8.230 nan 0.000 0.433 66 I N -1.298 119.155 120.570 -0.195 0.000 2.142 66 I HA -0.332 3.838 4.170 -0.000 0.000 0.240 66 I C 2.360 178.257 176.117 -0.367 0.000 1.078 66 I CA 1.441 62.514 61.300 -0.379 0.000 1.343 66 I CB -0.384 37.316 38.000 -0.500 0.000 1.046 66 I HN 0.228 nan 8.210 nan 0.000 0.405 67 L N 0.417 121.490 121.223 -0.250 0.000 2.017 67 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 67 L C 2.398 179.175 176.870 -0.155 0.000 1.073 67 L CA 1.283 56.008 54.840 -0.192 0.000 0.745 67 L CB -0.865 41.118 42.059 -0.127 0.000 0.894 67 L HN 0.341 nan 8.230 nan 0.000 0.432 68 N N -0.146 118.477 118.700 -0.129 0.000 2.094 68 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 68 N C 1.861 177.308 175.510 -0.106 0.000 1.023 68 N CA 2.264 55.255 53.050 -0.097 0.000 0.857 68 N CB -0.439 38.002 38.487 -0.077 0.000 1.013 68 N HN 0.488 nan 8.380 nan 0.000 0.426 69 T N -1.194 113.269 114.554 -0.152 0.000 3.067 69 T HA 0.152 4.502 4.350 -0.000 0.000 0.261 69 T C 2.059 176.663 174.700 -0.160 0.000 1.110 69 T CA 0.098 62.107 62.100 -0.152 0.000 1.113 69 T CB -0.253 68.511 68.868 -0.172 0.000 0.917 69 T HN 0.079 nan 8.240 nan 0.000 0.499 70 L N 0.415 121.519 121.223 -0.199 0.000 2.265 70 L HA 0.026 4.366 4.340 -0.000 0.000 0.215 70 L C 2.406 179.250 176.870 -0.043 0.000 1.117 70 L CA 0.716 55.486 54.840 -0.116 0.000 0.782 70 L CB -0.217 41.754 42.059 -0.146 0.000 0.914 70 L HN 0.244 nan 8.230 nan 0.000 0.441 71 V N -1.867 118.014 119.914 -0.054 0.000 3.212 71 V HA -0.017 4.103 4.120 -0.000 0.000 0.244 71 V C 0.464 176.543 176.094 -0.026 0.000 1.151 71 V CA -0.056 62.224 62.300 -0.035 0.000 1.119 71 V CB 0.187 31.985 31.823 -0.042 0.000 0.838 71 V HN 0.337 nan 8.190 nan 0.000 0.470 72 D N 2.025 122.405 120.400 -0.033 0.000 2.581 72 D HA -0.143 4.497 4.640 -0.000 0.000 0.238 72 D C 1.199 177.487 176.300 -0.020 0.000 1.145 72 D CA 0.422 54.405 54.000 -0.028 0.000 0.866 72 D CB 0.527 41.306 40.800 -0.035 0.000 1.151 72 D HN 0.662 nan 8.370 nan 0.000 0.500 73 E N 2.700 122.889 120.200 -0.019 0.000 2.365 73 E HA 0.008 4.358 4.350 -0.000 0.000 0.188 73 E C 0.748 177.336 176.600 -0.020 0.000 1.102 73 E CA -0.002 56.390 56.400 -0.015 0.000 0.927 73 E CB 0.272 29.965 29.700 -0.011 0.000 1.073 73 E HN 0.416 nan 8.360 nan 0.000 0.467 74 K N 0.291 120.671 120.400 -0.034 0.000 2.286 74 K HA 0.198 4.518 4.320 -0.000 0.000 0.203 74 K C 1.336 177.879 176.600 -0.094 0.000 1.078 74 K CA 0.234 56.490 56.287 -0.052 0.000 0.957 74 K CB 0.444 32.910 32.500 -0.056 0.000 1.018 74 K HN 0.143 nan 8.250 nan 0.000 0.484 75 L N 0.331 121.486 121.223 -0.112 0.000 2.728 75 L HA 0.298 4.638 4.340 -0.000 0.000 0.238 75 L C 0.932 177.838 176.870 0.059 0.000 1.143 75 L CA -0.620 54.129 54.840 -0.152 0.000 0.937 75 L CB 0.836 42.773 42.059 -0.203 0.000 1.225 75 L HN 0.012 nan 8.230 nan 0.000 0.507 76 G N -0.481 108.343 108.800 0.040 0.000 2.535 76 G HA2 0.447 4.407 3.960 -0.000 0.000 0.303 76 G HA3 0.447 4.407 3.960 -0.000 0.000 0.303 76 G C 0.264 175.204 174.900 0.068 0.000 1.237 76 G CA -0.201 44.942 45.100 0.071 0.000 0.986 76 G HN -0.168 nan 8.290 nan 0.000 0.494 77 V N -0.492 119.457 119.914 0.059 0.000 3.309 77 V HA 0.252 4.372 4.120 -0.000 0.000 0.268 77 V C -0.016 176.094 176.094 0.027 0.000 1.631 77 V CA 0.260 62.591 62.300 0.052 0.000 1.018 77 V CB -0.130 31.745 31.823 0.086 0.000 0.841 77 V HN 0.640 nan 8.190 nan 0.000 0.418 78 I N -3.473 117.106 120.570 0.015 0.000 2.686 78 I HA 0.521 4.691 4.170 -0.000 0.000 0.295 78 I C 0.787 176.901 176.117 -0.004 0.000 1.114 78 I CA -0.723 60.579 61.300 0.003 0.000 1.038 78 I CB 2.094 40.093 38.000 -0.003 0.000 1.238 78 I HN -0.217 nan 8.210 nan 0.000 0.420 79 K N 1.766 122.163 120.400 -0.005 0.000 2.002 79 K HA -0.027 4.293 4.320 -0.000 0.000 0.209 79 K C -0.232 176.360 176.600 -0.012 0.000 1.048 79 K CA 1.484 57.767 56.287 -0.007 0.000 0.930 79 K CB -0.161 32.335 32.500 -0.006 0.000 0.714 79 K HN 0.672 nan 8.250 nan 0.000 0.438 80 D N -0.964 119.428 120.400 -0.013 0.000 2.449 80 D HA 0.231 4.871 4.640 -0.000 0.000 0.250 80 D C 0.797 177.084 176.300 -0.022 0.000 1.050 80 D CA -0.466 53.524 54.000 -0.016 0.000 1.024 80 D CB 1.285 42.078 40.800 -0.013 0.000 1.218 80 D HN -0.174 nan 8.370 nan 0.000 0.566 81 L N 0.344 121.552 121.223 -0.025 0.000 2.446 81 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 81 L C 1.979 178.835 176.870 -0.023 0.000 1.116 81 L CA 0.441 55.263 54.840 -0.030 0.000 0.844 81 L CB -0.018 42.020 42.059 -0.034 0.000 0.970 81 L HN 0.298 nan 8.230 nan 0.000 0.457 82 K N 0.237 120.627 120.400 -0.018 0.000 2.360 82 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 82 K C 1.719 178.311 176.600 -0.013 0.000 1.046 82 K CA 0.766 57.044 56.287 -0.014 0.000 0.945 82 K CB 0.239 32.733 32.500 -0.011 0.000 0.750 82 K HN 0.277 nan 8.250 nan 0.000 0.464 83 E N 0.452 120.644 120.200 -0.014 0.000 2.150 83 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 83 E C 0.448 177.040 176.600 -0.013 0.000 0.985 83 E CA 0.641 57.034 56.400 -0.012 0.000 0.814 83 E CB -0.044 29.649 29.700 -0.011 0.000 0.752 83 E HN 0.353 nan 8.360 nan 0.000 0.466 84 I N 3.115 123.674 120.570 -0.019 0.000 2.576 84 I HA -0.077 4.093 4.170 -0.000 0.000 0.288 84 I C 1.171 177.277 176.117 -0.018 0.000 1.126 84 I CA 0.116 61.402 61.300 -0.022 0.000 1.362 84 I CB 0.351 38.331 38.000 -0.032 0.000 1.419 84 I HN -0.153 nan 8.210 nan 0.000 0.533 85 D N 5.528 125.919 120.400 -0.016 0.000 2.249 85 D HA 0.161 4.801 4.640 -0.000 0.000 0.205 85 D C 0.586 176.879 176.300 -0.012 0.000 0.962 85 D CA 0.660 54.653 54.000 -0.012 0.000 0.860 85 D CB 0.646 41.440 40.800 -0.009 0.000 0.955 85 D HN 0.638 nan 8.370 nan 0.000 0.505 86 A N -0.284 122.525 122.820 -0.019 0.000 2.601 86 A HA 0.522 4.842 4.320 -0.000 0.000 0.291 86 A C -1.578 175.982 177.584 -0.041 0.000 1.075 86 A CA -0.556 51.468 52.037 -0.021 0.000 0.671 86 A CB 1.530 20.520 19.000 -0.018 0.000 1.277 86 A HN -0.126 nan 8.150 nan 0.000 0.417 87 V N 0.716 120.602 119.914 -0.047 0.000 2.483 87 V HA 0.690 4.810 4.120 -0.000 0.000 0.297 87 V C 0.563 176.556 176.094 -0.169 0.000 1.027 87 V CA 0.008 62.236 62.300 -0.120 0.000 0.855 87 V CB 1.696 33.455 31.823 -0.108 0.000 0.995 87 V HN 1.437 nan 8.190 nan 0.000 0.424 88 G N 3.066 111.724 108.800 -0.236 0.000 2.368 88 G HA2 0.596 4.556 3.960 -0.000 0.000 0.320 88 G HA3 0.596 4.556 3.960 -0.000 0.000 0.320 88 G C -0.668 174.029 174.900 -0.338 0.000 1.158 88 G CA -0.349 44.627 45.100 -0.206 0.000 0.912 88 G HN 0.696 nan 8.290 nan 0.000 0.456 89 H N 1.610 120.606 119.070 -0.123 0.000 2.457 89 H HA 0.313 4.869 4.556 -0.000 0.000 0.335 89 H C -0.211 175.007 175.328 -0.182 0.000 1.115 89 H CA -0.571 55.397 56.048 -0.133 0.000 1.219 89 H CB 2.380 32.054 29.762 -0.147 0.000 1.471 89 H HN 0.447 nan 8.280 nan 0.000 0.491 90 R N 2.851 123.335 120.500 -0.027 0.000 2.248 90 R HA 0.287 4.627 4.340 -0.000 0.000 0.328 90 R C -1.228 175.032 176.300 -0.067 0.000 1.067 90 R CA -0.423 55.637 56.100 -0.067 0.000 0.924 90 R CB 0.179 30.462 30.300 -0.028 0.000 1.013 90 R HN 0.280 nan 8.270 nan 0.000 0.454 91 V N 6.305 126.121 119.914 -0.163 0.000 2.384 91 V HA 0.094 4.214 4.120 -0.000 0.000 0.287 91 V C 1.252 177.377 176.094 0.051 0.000 1.020 91 V CA -0.519 61.723 62.300 -0.097 0.000 0.850 91 V CB 1.602 33.268 31.823 -0.261 0.000 0.987 91 V HN 0.726 nan 8.190 nan 0.000 0.436 92 V N 3.368 123.350 119.914 0.114 0.000 2.255 92 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 92 V C 0.946 177.204 176.094 0.274 0.000 1.051 92 V CA 1.673 64.065 62.300 0.153 0.000 1.018 92 V CB -0.371 31.482 31.823 0.050 0.000 0.641 92 V HN 0.839 nan 8.190 nan 0.000 0.445 93 H N -0.951 118.255 119.070 0.227 0.000 2.539 93 H HA 0.467 5.023 4.556 -0.000 0.000 0.332 93 H C 0.673 176.101 175.328 0.168 0.000 1.031 93 H CA 0.325 56.480 56.048 0.178 0.000 1.206 93 H CB 1.712 31.535 29.762 0.100 0.000 1.446 93 H HN 0.165 nan 8.280 nan 0.000 0.496 94 G N 2.273 111.228 108.800 0.258 0.000 2.939 94 G HA2 0.311 4.271 3.960 -0.000 0.000 0.216 94 G HA3 0.311 4.271 3.960 -0.000 0.000 0.216 94 G C 0.766 175.689 174.900 0.039 0.000 1.125 94 G CA 0.412 45.501 45.100 -0.018 0.000 0.766 94 G HN 1.017 nan 8.290 nan 0.000 0.541 95 G N 0.680 109.542 108.800 0.103 0.000 2.601 95 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.252 95 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.252 95 G C 0.587 175.484 174.900 -0.005 0.000 1.294 95 G CA 0.330 45.366 45.100 -0.107 0.000 0.912 95 G HN 0.279 nan 8.290 nan 0.000 0.574 96 E N 0.147 120.380 120.200 0.056 0.000 2.371 96 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 96 E C 2.753 179.295 176.600 -0.097 0.000 1.012 96 E CA 0.637 57.060 56.400 0.039 0.000 0.860 96 E CB 0.067 29.813 29.700 0.076 0.000 0.811 96 E HN 0.471 nan 8.360 nan 0.000 0.502 97 R N 0.238 120.604 120.500 -0.224 0.000 2.070 97 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 97 R C 0.294 176.317 176.300 -0.461 0.000 1.138 97 R CA 0.890 56.726 56.100 -0.440 0.000 0.936 97 R CB -0.195 29.615 30.300 -0.816 0.000 0.839 97 R HN -0.015 nan 8.270 nan 0.000 0.429 98 F N 2.101 121.872 119.950 -0.298 0.000 2.405 98 F HA 0.156 4.683 4.527 -0.000 0.000 0.358 98 F C 1.168 176.834 175.800 -0.225 0.000 1.151 98 F CA -0.130 57.633 58.000 -0.395 0.000 1.161 98 F CB 0.948 39.277 39.000 -1.117 0.000 1.245 98 F HN -0.159 nan 8.300 nan 0.000 0.545 99 K N 2.510 122.948 120.400 0.065 0.000 2.262 99 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 99 K C 0.348 177.028 176.600 0.132 0.000 1.049 99 K CA 0.598 56.928 56.287 0.070 0.000 0.979 99 K CB 0.326 32.854 32.500 0.046 0.000 0.773 99 K HN 0.736 nan 8.250 nan 0.000 0.474 100 E N -0.189 120.126 120.200 0.192 0.000 2.445 100 E HA 0.286 4.636 4.350 -0.000 0.000 0.279 100 E C -1.159 175.616 176.600 0.291 0.000 1.018 100 E CA -0.806 55.722 56.400 0.212 0.000 0.816 100 E CB 0.921 30.712 29.700 0.151 0.000 1.356 100 E HN -0.227 nan 8.360 nan 0.000 0.462 101 S N 0.142 115.975 115.700 0.222 0.000 2.558 101 S HA 0.251 4.721 4.470 -0.000 0.000 0.287 101 S C -0.056 174.644 174.600 0.167 0.000 1.321 101 S CA -0.336 57.963 58.200 0.165 0.000 1.048 101 S CB 0.480 63.705 63.200 0.042 0.000 0.844 101 S HN 0.376 nan 8.310 nan 0.000 0.512 102 V N 2.624 122.617 119.914 0.132 0.000 2.925 102 V HA 0.377 4.497 4.120 -0.000 0.000 0.311 102 V C -0.406 175.721 176.094 0.055 0.000 1.104 102 V CA -1.062 61.319 62.300 0.136 0.000 0.954 102 V CB 1.861 33.830 31.823 0.243 0.000 1.022 102 V HN 0.753 nan 8.190 nan 0.000 0.427 103 L N 4.234 125.494 121.223 0.062 0.000 2.410 103 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 103 L C -0.112 176.785 176.870 0.044 0.000 1.144 103 L CA 0.612 55.476 54.840 0.041 0.000 0.863 103 L CB 0.943 43.027 42.059 0.042 0.000 1.140 103 L HN 0.474 nan 8.230 nan 0.000 0.463 104 V N 6.080 126.005 119.914 0.019 0.000 2.455 104 V HA 0.299 4.419 4.120 -0.000 0.000 0.273 104 V C 0.077 176.185 176.094 0.023 0.000 1.045 104 V CA -0.369 61.938 62.300 0.011 0.000 0.976 104 V CB 0.490 32.292 31.823 -0.036 0.000 0.993 104 V HN 0.976 nan 8.190 nan 0.000 0.475 105 D N 3.500 123.925 120.400 0.041 0.000 2.727 105 D HA 0.299 4.939 4.640 -0.000 0.000 0.264 105 D C 0.750 177.071 176.300 0.036 0.000 1.101 105 D CA -0.735 53.286 54.000 0.034 0.000 1.122 105 D CB 0.807 41.631 40.800 0.040 0.000 1.390 105 D HN 0.148 nan 8.370 nan 0.000 0.606 106 E N -0.018 120.200 120.200 0.030 0.000 2.085 106 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 106 E C 1.628 178.254 176.600 0.044 0.000 0.994 106 E CA 1.141 57.557 56.400 0.028 0.000 0.801 106 E CB -0.082 29.630 29.700 0.020 0.000 0.743 106 E HN 0.473 nan 8.360 nan 0.000 0.453 107 E N 0.487 120.718 120.200 0.052 0.000 2.049 107 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 107 E C 2.345 179.012 176.600 0.112 0.000 1.007 107 E CA 0.973 57.412 56.400 0.065 0.000 0.809 107 E CB -0.430 29.306 29.700 0.061 0.000 0.749 107 E HN 0.107 nan 8.360 nan 0.000 0.450 108 V N 1.370 121.373 119.914 0.148 0.000 2.343 108 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 108 V C 2.534 178.752 176.094 0.207 0.000 1.051 108 V CA 1.330 63.784 62.300 0.256 0.000 1.036 108 V CB -0.466 31.481 31.823 0.208 0.000 0.654 108 V HN 0.138 nan 8.190 nan 0.000 0.451 109 L N 0.137 121.420 121.223 0.101 0.000 2.042 109 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 109 L C 2.459 179.371 176.870 0.071 0.000 1.076 109 L CA 2.174 57.047 54.840 0.056 0.000 0.749 109 L CB -0.697 41.372 42.059 0.016 0.000 0.893 109 L HN 0.271 nan 8.230 nan 0.000 0.432 110 K N -1.099 119.343 120.400 0.070 0.000 2.057 110 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 110 K C 1.948 178.596 176.600 0.080 0.000 1.049 110 K CA 1.236 57.557 56.287 0.057 0.000 0.931 110 K CB -0.176 32.347 32.500 0.040 0.000 0.714 110 K HN 0.370 nan 8.250 nan 0.000 0.440 111 A N 0.751 123.649 122.820 0.130 0.000 2.067 111 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 111 A C 1.948 179.682 177.584 0.250 0.000 1.158 111 A CA 1.006 53.131 52.037 0.146 0.000 0.661 111 A CB -0.394 18.695 19.000 0.148 0.000 0.801 111 A HN 0.326 nan 8.150 nan 0.000 0.452 112 I N -0.808 119.933 120.570 0.284 0.000 2.333 112 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 112 I C 2.373 178.571 176.117 0.134 0.000 1.106 112 I CA 1.047 62.504 61.300 0.261 0.000 1.411 112 I CB -0.359 37.748 38.000 0.177 0.000 1.082 112 I HN 0.397 nan 8.210 nan 0.000 0.420 113 E N 0.881 121.131 120.200 0.083 0.000 2.085 113 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 113 E C 1.937 178.554 176.600 0.029 0.000 0.994 113 E CA 1.250 57.675 56.400 0.041 0.000 0.801 113 E CB -0.095 29.620 29.700 0.026 0.000 0.743 113 E HN 0.498 nan 8.360 nan 0.000 0.453 114 E N 0.141 120.361 120.200 0.033 0.000 2.204 114 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 114 E C 1.871 178.464 176.600 -0.012 0.000 0.990 114 E CA 0.716 57.120 56.400 0.007 0.000 0.821 114 E CB 0.235 29.933 29.700 -0.003 0.000 0.750 114 E HN 0.076 nan 8.360 nan 0.000 0.477 115 V N 0.087 120.002 119.914 0.003 0.000 3.174 115 V HA -0.098 4.022 4.120 -0.000 0.000 0.254 115 V C 1.985 178.025 176.094 -0.091 0.000 1.120 115 V CA 0.778 63.046 62.300 -0.053 0.000 1.114 115 V CB 0.254 32.081 31.823 0.007 0.000 0.756 115 V HN 0.170 nan 8.190 nan 0.000 0.467 116 S N 1.026 116.712 115.700 -0.023 0.000 2.392 116 S HA -0.164 4.306 4.470 -0.000 0.000 0.232 116 S C -0.255 174.313 174.600 -0.053 0.000 1.041 116 S CA 2.126 60.314 58.200 -0.020 0.000 1.026 116 S CB -1.199 62.003 63.200 0.004 0.000 0.845 116 S HN 0.520 nan 8.310 nan 0.000 0.465 117 P HA 0.009 nan 4.420 nan 0.000 0.228 117 P C 0.813 178.065 177.300 -0.080 0.000 1.151 117 P CA 0.764 63.840 63.100 -0.041 0.000 0.770 117 P CB -0.117 31.579 31.700 -0.006 0.000 0.786 118 L N -2.044 119.054 121.223 -0.208 0.000 2.558 118 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 118 L C 0.991 177.652 176.870 -0.347 0.000 1.128 118 L CA 0.198 54.799 54.840 -0.399 0.000 0.868 118 L CB -0.150 41.403 42.059 -0.843 0.000 1.006 118 L HN -0.084 nan 8.230 nan 0.000 0.454 119 A N -0.940 121.799 122.820 -0.135 0.000 3.448 119 A HA 0.412 4.732 4.320 -0.000 0.000 0.232 119 A C -2.062 175.562 177.584 0.065 0.000 1.018 119 A CA -0.508 51.566 52.037 0.062 0.000 0.996 119 A CB -0.011 19.131 19.000 0.238 0.000 1.283 119 A HN -0.067 nan 8.150 nan 0.000 0.586 120 P HA -0.128 nan 4.420 nan 0.000 0.221 120 P C 1.145 178.418 177.300 -0.045 0.000 1.145 120 P CA 0.941 64.031 63.100 -0.018 0.000 0.795 120 P CB 0.178 31.861 31.700 -0.028 0.000 0.775 121 L N -2.580 118.594 121.223 -0.082 0.000 2.558 121 L HA 0.009 4.349 4.340 -0.000 0.000 0.225 121 L C 1.958 178.543 176.870 -0.475 0.000 1.128 121 L CA 0.682 55.362 54.840 -0.267 0.000 0.868 121 L CB -0.386 41.482 42.059 -0.317 0.000 1.006 121 L HN 0.209 nan 8.230 nan 0.000 0.454 122 H N -2.281 116.787 119.070 -0.003 0.000 2.176 122 H HA 0.148 4.704 4.556 -0.000 0.000 0.228 122 H C 1.406 176.738 175.328 0.006 0.000 0.879 122 H CA 0.088 56.139 56.048 0.004 0.000 1.027 122 H CB 0.093 29.860 29.762 0.008 0.000 1.356 122 H HN 0.098 nan 8.280 nan 0.000 0.425 123 N N 1.925 120.719 118.700 0.156 0.000 2.037 123 N HA -0.119 4.621 4.740 -0.000 0.000 0.196 123 N C -1.129 174.392 175.510 0.019 0.000 1.034 123 N CA 1.599 54.704 53.050 0.091 0.000 0.861 123 N CB -1.320 37.222 38.487 0.092 0.000 1.039 123 N HN 0.250 nan 8.380 nan 0.000 0.427 124 P HA -0.155 nan 4.420 nan 0.000 0.216 124 P C 0.879 178.123 177.300 -0.094 0.000 1.157 124 P CA 2.021 65.096 63.100 -0.042 0.000 0.880 124 P CB -0.136 31.541 31.700 -0.038 0.000 0.791 125 A N -1.131 121.625 122.820 -0.107 0.000 2.067 125 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 125 A C 2.002 179.461 177.584 -0.209 0.000 1.158 125 A CA 1.479 53.377 52.037 -0.232 0.000 0.661 125 A CB -1.140 17.776 19.000 -0.141 0.000 0.801 125 A HN 0.138 nan 8.150 nan 0.000 0.452 126 N N 0.528 119.176 118.700 -0.087 0.000 2.080 126 N HA -0.091 4.649 4.740 -0.000 0.000 0.189 126 N C 1.658 177.091 175.510 -0.128 0.000 1.036 126 N CA 1.345 54.354 53.050 -0.067 0.000 0.846 126 N CB -0.626 37.847 38.487 -0.023 0.000 1.015 126 N HN 0.472 nan 8.380 nan 0.000 0.423 127 L N 0.863 122.015 121.223 -0.119 0.000 2.043 127 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 127 L C 2.427 179.206 176.870 -0.151 0.000 1.075 127 L CA 1.136 55.896 54.840 -0.133 0.000 0.752 127 L CB -0.390 41.621 42.059 -0.080 0.000 0.891 127 L HN 0.180 nan 8.230 nan 0.000 0.432 128 M N -0.801 118.696 119.600 -0.171 0.000 2.108 128 M HA -0.210 4.270 4.480 -0.000 0.000 0.257 128 M C 2.262 178.480 176.300 -0.138 0.000 1.071 128 M CA 2.055 57.243 55.300 -0.186 0.000 1.093 128 M CB -0.986 31.390 32.600 -0.372 0.000 1.345 128 M HN 0.419 nan 8.290 nan 0.000 0.403 129 G N 0.285 108.999 108.800 -0.143 0.000 2.402 129 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 129 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 129 G C 1.457 176.325 174.900 -0.052 0.000 1.162 129 G CA 0.498 45.593 45.100 -0.009 0.000 0.777 129 G HN 0.387 nan 8.290 nan 0.000 0.539 130 I N 0.524 120.883 120.570 -0.352 0.000 2.099 130 I HA -0.194 3.976 4.170 -0.000 0.000 0.239 130 I C 2.825 178.814 176.117 -0.214 0.000 1.066 130 I CA 1.438 62.386 61.300 -0.587 0.000 1.324 130 I CB -0.237 37.417 38.000 -0.576 0.000 1.037 130 I HN 0.109 nan 8.210 nan 0.000 0.401 131 K N 0.906 121.222 120.400 -0.141 0.000 2.103 131 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 131 K C 2.249 178.828 176.600 -0.034 0.000 1.048 131 K CA 1.571 57.815 56.287 -0.072 0.000 0.930 131 K CB -0.309 32.157 32.500 -0.057 0.000 0.716 131 K HN 0.348 nan 8.250 nan 0.000 0.444 132 A N 1.559 124.369 122.820 -0.018 0.000 1.902 132 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 132 A C 2.386 179.983 177.584 0.023 0.000 1.181 132 A CA 1.784 53.829 52.037 0.013 0.000 0.623 132 A CB -0.607 18.417 19.000 0.041 0.000 0.818 132 A HN 0.333 nan 8.150 nan 0.000 0.443 133 A N -0.396 122.453 122.820 0.048 0.000 1.898 133 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 133 A C 2.243 179.852 177.584 0.042 0.000 1.181 133 A CA 1.711 53.793 52.037 0.076 0.000 0.620 133 A CB -0.544 18.581 19.000 0.208 0.000 0.819 133 A HN 0.533 nan 8.150 nan 0.000 0.442 134 M N -0.842 118.770 119.600 0.020 0.000 2.229 134 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 134 M C 2.230 178.531 176.300 0.002 0.000 1.063 134 M CA 1.896 57.201 55.300 0.007 0.000 1.114 134 M CB -0.343 32.250 32.600 -0.011 0.000 1.387 134 M HN 0.475 nan 8.290 nan 0.000 0.420 135 K N 1.352 121.752 120.400 -0.001 0.000 2.025 135 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 135 K C 1.677 178.275 176.600 -0.003 0.000 1.049 135 K CA 1.167 57.452 56.287 -0.002 0.000 0.933 135 K CB -0.001 32.498 32.500 -0.003 0.000 0.714 135 K HN 0.281 nan 8.250 nan 0.000 0.438 136 L N 0.704 121.926 121.223 -0.002 0.000 2.418 136 L HA 0.074 4.414 4.340 -0.000 0.000 0.218 136 L C 0.636 177.499 176.870 -0.011 0.000 1.125 136 L CA 0.264 55.099 54.840 -0.009 0.000 0.835 136 L CB 0.195 42.245 42.059 -0.014 0.000 0.953 136 L HN 0.117 nan 8.230 nan 0.000 0.454 137 L N 1.618 122.838 121.223 -0.005 0.000 2.637 137 L HA 0.339 4.679 4.340 -0.000 0.000 0.241 137 L C -2.329 174.540 176.870 -0.001 0.000 1.398 137 L CA -1.701 53.135 54.840 -0.006 0.000 0.895 137 L CB 0.489 42.544 42.059 -0.006 0.000 1.183 137 L HN -0.149 nan 8.230 nan 0.000 0.497 138 P HA 0.073 nan 4.420 nan 0.000 0.264 138 P C 1.041 178.341 177.300 0.000 0.000 1.193 138 P CA 1.037 64.137 63.100 -0.001 0.000 0.763 138 P CB 1.265 32.964 31.700 -0.002 0.000 0.810 139 G N 1.655 110.457 108.800 0.003 0.000 2.299 139 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 139 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 139 G C 0.008 174.911 174.900 0.004 0.000 1.027 139 G CA -0.006 45.096 45.100 0.003 0.000 0.619 139 G HN 0.547 nan 8.290 nan 0.000 0.513 140 V N 4.521 124.437 119.914 0.004 0.000 2.479 140 V HA 0.379 4.499 4.120 -0.000 0.000 0.281 140 V C -1.014 175.087 176.094 0.012 0.000 1.031 140 V CA -0.776 61.527 62.300 0.004 0.000 1.038 140 V CB 0.881 32.704 31.823 0.001 0.000 0.981 140 V HN 0.362 nan 8.190 nan 0.000 0.478 141 P HA 0.172 nan 4.420 nan 0.000 0.268 141 P C -0.852 176.465 177.300 0.028 0.000 1.205 141 P CA -0.244 62.866 63.100 0.017 0.000 0.771 141 P CB 0.647 32.355 31.700 0.013 0.000 0.858 142 N N 0.887 119.613 118.700 0.042 0.000 2.362 142 N HA 0.436 5.176 4.740 -0.000 0.000 0.298 142 N C -1.023 174.522 175.510 0.058 0.000 1.048 142 N CA -0.723 52.379 53.050 0.087 0.000 0.858 142 N CB 1.676 40.241 38.487 0.130 0.000 1.218 142 N HN 0.069 nan 8.380 nan 0.000 0.488 143 V N 1.066 121.016 119.914 0.060 0.000 2.459 143 V HA 0.750 4.870 4.120 -0.000 0.000 0.295 143 V C -0.302 175.766 176.094 -0.044 0.000 1.029 143 V CA -0.877 61.422 62.300 -0.003 0.000 0.874 143 V CB 1.459 33.269 31.823 -0.022 0.000 0.985 143 V HN 0.811 nan 8.190 nan 0.000 0.438 144 A N 5.050 127.763 122.820 -0.178 0.000 2.260 144 A HA 0.764 5.084 4.320 -0.000 0.000 0.308 144 A C -0.616 176.601 177.584 -0.612 0.000 1.254 144 A CA -0.405 51.363 52.037 -0.449 0.000 0.874 144 A CB 0.854 19.437 19.000 -0.695 0.000 1.153 144 A HN 0.679 nan 8.150 nan 0.000 0.527 145 V N 3.214 122.807 119.914 -0.536 0.000 2.384 145 V HA 0.384 4.504 4.120 -0.000 0.000 0.287 145 V C -0.891 174.940 176.094 -0.437 0.000 1.020 145 V CA -0.260 61.810 62.300 -0.383 0.000 0.850 145 V CB 0.730 32.452 31.823 -0.168 0.000 0.987 145 V HN 0.697 nan 8.190 nan 0.000 0.436 146 F N 2.375 122.300 119.950 -0.041 0.000 2.405 146 F HA 0.361 4.888 4.527 -0.000 0.000 0.355 146 F C 1.439 177.233 175.800 -0.009 0.000 1.121 146 F CA -0.511 57.473 58.000 -0.027 0.000 1.112 146 F CB 0.939 39.928 39.000 -0.019 0.000 1.126 146 F HN 0.464 nan 8.300 nan 0.000 0.481 147 D N 0.923 121.418 120.400 0.158 0.000 2.228 147 D HA -0.171 4.469 4.640 -0.000 0.000 0.203 147 D C 2.202 178.537 176.300 0.059 0.000 0.988 147 D CA 1.984 56.058 54.000 0.124 0.000 0.864 147 D CB 0.034 40.945 40.800 0.184 0.000 0.928 147 D HN 0.633 nan 8.370 nan 0.000 0.469 148 T N -3.069 111.489 114.554 0.006 0.000 3.044 148 T HA 0.355 4.705 4.350 -0.000 0.000 0.250 148 T C 1.921 176.611 174.700 -0.016 0.000 1.081 148 T CA 0.563 62.587 62.100 -0.127 0.000 1.040 148 T CB 0.351 69.010 68.868 -0.347 0.000 0.962 148 T HN 0.017 nan 8.240 nan 0.000 0.506 149 A N 1.437 124.299 122.820 0.071 0.000 1.898 149 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 149 A C 1.882 179.517 177.584 0.085 0.000 1.181 149 A CA 1.149 53.247 52.037 0.101 0.000 0.620 149 A CB -1.178 17.948 19.000 0.211 0.000 0.819 149 A HN 0.483 nan 8.150 nan 0.000 0.442 150 F N 0.849 120.715 119.950 -0.140 0.000 2.192 150 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 150 F C 2.064 177.757 175.800 -0.177 0.000 1.079 150 F CA 1.840 59.728 58.000 -0.186 0.000 1.303 150 F CB -0.311 38.528 39.000 -0.268 0.000 1.024 150 F HN 0.415 nan 8.300 nan 0.000 0.494 151 H N -0.834 118.161 119.070 -0.125 0.000 2.539 151 H HA 0.100 4.656 4.556 -0.000 0.000 0.267 151 H C 1.843 177.055 175.328 -0.193 0.000 0.982 151 H CA 0.451 56.349 56.048 -0.249 0.000 1.146 151 H CB -0.158 29.495 29.762 -0.182 0.000 1.382 151 H HN 0.326 nan 8.280 nan 0.000 0.577 152 Q N 0.547 120.323 119.800 -0.040 0.000 2.500 152 Q HA -0.049 4.291 4.340 -0.000 0.000 0.213 152 Q C 1.646 177.609 176.000 -0.060 0.000 0.974 152 Q CA 0.974 56.750 55.803 -0.045 0.000 0.918 152 Q CB -0.205 28.523 28.738 -0.017 0.000 0.980 152 Q HN 0.607 nan 8.270 nan 0.000 0.505 153 T N -2.930 111.569 114.554 -0.092 0.000 3.100 153 T HA 0.166 4.516 4.350 -0.000 0.000 0.253 153 T C 1.069 175.732 174.700 -0.062 0.000 1.118 153 T CA -0.251 61.802 62.100 -0.077 0.000 1.058 153 T CB 0.014 68.815 68.868 -0.112 0.000 0.953 153 T HN 0.047 nan 8.240 nan 0.000 0.515 154 I N 4.529 125.060 120.570 -0.064 0.000 2.741 154 I HA 0.096 4.266 4.170 -0.000 0.000 0.288 154 I C -1.654 174.532 176.117 0.114 0.000 1.192 154 I CA -1.667 59.620 61.300 -0.021 0.000 1.426 154 I CB 0.344 38.329 38.000 -0.025 0.000 1.367 154 I HN 0.129 nan 8.210 nan 0.000 0.563 155 P HA 0.021 nan 4.420 nan 0.000 0.273 155 P C -0.025 177.172 177.300 -0.171 0.000 1.250 155 P CA -0.274 62.822 63.100 -0.007 0.000 0.793 155 P CB 0.652 32.307 31.700 -0.076 0.000 1.011 156 Q N 0.622 120.203 119.800 -0.365 0.000 2.050 156 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 156 Q C 2.052 177.640 176.000 -0.688 0.000 0.980 156 Q CA 1.964 57.231 55.803 -0.894 0.000 0.840 156 Q CB -0.367 28.057 28.738 -0.524 0.000 0.898 156 Q HN 0.581 nan 8.270 nan 0.000 0.424 157 K N -0.169 120.007 120.400 -0.374 0.000 2.293 157 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 157 K C 1.525 177.970 176.600 -0.258 0.000 1.045 157 K CA 1.551 57.677 56.287 -0.269 0.000 0.933 157 K CB -0.078 32.317 32.500 -0.174 0.000 0.736 157 K HN 0.107 nan 8.250 nan 0.000 0.463 158 A N 0.389 123.039 122.820 -0.283 0.000 2.259 158 A HA 0.122 4.442 4.320 -0.000 0.000 0.213 158 A C 1.378 178.836 177.584 -0.210 0.000 1.209 158 A CA -0.242 51.675 52.037 -0.200 0.000 0.910 158 A CB -0.135 18.781 19.000 -0.139 0.000 0.946 158 A HN 0.572 nan 8.150 nan 0.000 0.497 159 Y N -1.601 118.543 120.300 -0.261 0.000 2.444 159 Y HA 0.610 5.160 4.550 -0.000 0.000 0.249 159 Y C 0.060 175.704 175.900 -0.426 0.000 1.134 159 Y CA -1.020 56.875 58.100 -0.342 0.000 1.261 159 Y CB -0.353 37.942 38.460 -0.275 0.000 1.143 159 Y HN -0.020 nan 8.280 nan 0.000 0.523 160 L N 2.065 123.020 121.223 -0.447 0.000 2.276 160 L HA 0.286 4.626 4.340 -0.000 0.000 0.286 160 L C -0.774 175.939 176.870 -0.263 0.000 1.061 160 L CA -0.822 53.846 54.840 -0.287 0.000 0.807 160 L CB 0.531 42.421 42.059 -0.282 0.000 1.177 160 L HN 0.075 nan 8.230 nan 0.000 0.429 161 Y N 1.178 121.505 120.300 0.044 0.000 2.300 161 Y HA 0.244 4.794 4.550 -0.000 0.000 0.328 161 Y C 0.876 176.808 175.900 0.054 0.000 1.270 161 Y CA -0.446 57.684 58.100 0.050 0.000 1.352 161 Y CB 0.991 39.489 38.460 0.063 0.000 1.286 161 Y HN 0.599 nan 8.280 nan 0.000 0.536 162 A N 3.891 126.845 122.820 0.222 0.000 3.033 162 A HA 0.360 4.680 4.320 -0.000 0.000 0.250 162 A C -0.034 177.640 177.584 0.150 0.000 1.633 162 A CA -0.081 52.038 52.037 0.136 0.000 1.290 162 A CB -1.936 17.119 19.000 0.092 0.000 1.048 162 A HN 0.608 nan 8.150 nan 0.000 0.648 163 I N -4.124 116.565 120.570 0.199 0.000 2.957 163 I HA 0.666 4.836 4.170 -0.000 0.000 0.310 163 I C -2.776 173.492 176.117 0.253 0.000 1.063 163 I CA -3.219 58.213 61.300 0.220 0.000 1.033 163 I CB 1.146 39.287 38.000 0.235 0.000 1.230 163 I HN -0.111 nan 8.210 nan 0.000 0.447 164 P HA -0.093 nan 4.420 nan 0.000 0.261 164 P C -0.270 177.140 177.300 0.184 0.000 1.165 164 P CA 0.395 63.581 63.100 0.143 0.000 0.759 164 P CB 0.114 31.791 31.700 -0.039 0.000 0.772 165 Y N 3.519 123.849 120.300 0.049 0.000 2.293 165 Y HA -0.216 4.334 4.550 -0.000 0.000 0.291 165 Y C 1.830 177.793 175.900 0.106 0.000 1.137 165 Y CA 1.620 59.778 58.100 0.095 0.000 1.202 165 Y CB -0.280 38.214 38.460 0.056 0.000 0.990 165 Y HN 0.370 nan 8.280 nan 0.000 0.537 166 E N -0.642 119.538 120.200 -0.034 0.000 2.197 166 E HA -0.296 4.054 4.350 -0.000 0.000 0.205 166 E C 1.737 178.241 176.600 -0.159 0.000 1.029 166 E CA 2.162 58.459 56.400 -0.172 0.000 0.828 166 E CB -0.678 28.861 29.700 -0.268 0.000 0.737 166 E HN 0.589 nan 8.360 nan 0.000 0.464 167 Y N -1.537 118.794 120.300 0.053 0.000 2.352 167 Y HA -0.146 4.404 4.550 -0.000 0.000 0.292 167 Y C 2.074 178.024 175.900 0.084 0.000 1.136 167 Y CA 0.945 59.119 58.100 0.123 0.000 1.227 167 Y CB -0.550 37.974 38.460 0.107 0.000 0.991 167 Y HN 0.216 nan 8.280 nan 0.000 0.545 168 Y N 0.603 120.887 120.300 -0.026 0.000 2.269 168 Y HA -0.072 4.478 4.550 -0.000 0.000 0.294 168 Y C 2.071 177.848 175.900 -0.206 0.000 1.120 168 Y CA 1.402 59.430 58.100 -0.121 0.000 1.159 168 Y CB -0.297 38.006 38.460 -0.261 0.000 1.024 168 Y HN 0.077 nan 8.280 nan 0.000 0.532 169 E N 0.422 120.384 120.200 -0.397 0.000 2.049 169 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 169 E C 2.111 178.517 176.600 -0.323 0.000 1.007 169 E CA 1.831 58.012 56.400 -0.366 0.000 0.809 169 E CB -0.127 29.431 29.700 -0.235 0.000 0.749 169 E HN 0.392 nan 8.360 nan 0.000 0.450 170 K N -0.446 119.783 120.400 -0.284 0.000 2.067 170 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 170 K C 1.153 177.431 176.600 -0.537 0.000 1.048 170 K CA 1.039 57.067 56.287 -0.432 0.000 0.954 170 K CB 0.175 32.359 32.500 -0.527 0.000 0.737 170 K HN 0.113 nan 8.250 nan 0.000 0.444 171 Y N 0.418 120.694 120.300 -0.040 0.000 2.481 171 Y HA 0.275 4.825 4.550 -0.000 0.000 0.247 171 Y C -0.308 175.605 175.900 0.021 0.000 1.151 171 Y CA -0.500 57.605 58.100 0.008 0.000 1.238 171 Y CB 0.957 39.447 38.460 0.050 0.000 1.179 171 Y HN -0.131 nan 8.280 nan 0.000 0.524 172 K N 0.756 121.139 120.400 -0.028 0.000 3.150 172 K HA -0.199 4.121 4.320 -0.000 0.000 0.267 172 K C -0.647 176.152 176.600 0.332 0.000 1.028 172 K CA 0.559 56.813 56.287 -0.055 0.000 0.753 172 K CB -2.045 30.496 32.500 0.068 0.000 1.288 172 K HN 0.459 nan 8.250 nan 0.000 0.473 173 I N 2.280 123.003 120.570 0.255 0.000 2.308 173 I HA 0.108 4.278 4.170 -0.000 0.000 0.293 173 I C 1.160 177.488 176.117 0.351 0.000 1.078 173 I CA 0.068 61.433 61.300 0.108 0.000 1.292 173 I CB 0.298 38.170 38.000 -0.214 0.000 1.423 173 I HN 0.231 nan 8.210 nan 0.000 0.493 174 R N 5.525 126.235 120.500 0.350 0.000 2.781 174 R HA 0.526 4.866 4.340 -0.000 0.000 0.268 174 R C -0.881 175.478 176.300 0.099 0.000 1.047 174 R CA -1.153 55.057 56.100 0.183 0.000 0.925 174 R CB 1.178 31.513 30.300 0.058 0.000 1.246 174 R HN 0.392 nan 8.270 nan 0.000 0.456 175 R N 0.884 121.329 120.500 -0.092 0.000 2.316 175 R HA 0.122 4.462 4.340 -0.000 0.000 0.314 175 R C -0.523 175.603 176.300 -0.291 0.000 1.069 175 R CA 0.162 56.232 56.100 -0.049 0.000 0.959 175 R CB 0.342 30.565 30.300 -0.128 0.000 0.987 175 R HN 0.666 nan 8.270 nan 0.000 0.446 176 Y N 3.260 123.567 120.300 0.012 0.000 2.464 176 Y HA 0.286 4.836 4.550 -0.000 0.000 0.288 176 Y C 1.252 176.893 175.900 -0.431 0.000 1.133 176 Y CA 0.912 58.875 58.100 -0.229 0.000 1.223 176 Y CB 0.247 38.504 38.460 -0.337 0.000 1.187 176 Y HN 0.960 nan 8.280 nan 0.000 0.539 177 G N 0.170 108.733 108.800 -0.395 0.000 2.733 177 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 177 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 177 G C -1.008 173.453 174.900 -0.732 0.000 1.373 177 G CA -0.702 44.077 45.100 -0.536 0.000 0.838 177 G HN 0.089 nan 8.290 nan 0.000 0.588 178 F N -1.527 118.449 119.950 0.044 0.000 2.824 178 F HA 0.690 5.217 4.527 -0.000 0.000 0.330 178 F C 1.127 177.019 175.800 0.154 0.000 1.175 178 F CA 0.144 58.159 58.000 0.025 0.000 0.974 178 F CB 1.116 39.966 39.000 -0.250 0.000 1.430 178 F HN 0.869 nan 8.300 nan 0.000 0.507 179 H N -1.407 117.844 119.070 0.302 0.000 2.899 179 H HA -0.176 4.380 4.556 -0.000 0.000 0.282 179 H C 1.400 176.818 175.328 0.151 0.000 1.198 179 H CA -0.005 56.054 56.048 0.019 0.000 1.140 179 H CB -1.355 28.240 29.762 -0.278 0.000 1.317 179 H HN 0.841 nan 8.280 nan 0.000 0.375 180 G N 0.409 109.355 108.800 0.242 0.000 2.514 180 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 180 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 180 G C 1.812 176.729 174.900 0.028 0.000 1.198 180 G CA 1.594 46.708 45.100 0.023 0.000 0.780 180 G HN 0.584 nan 8.290 nan 0.000 0.565 181 T N -1.964 112.593 114.554 0.003 0.000 3.113 181 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 181 T C 2.264 176.933 174.700 -0.051 0.000 1.143 181 T CA 1.724 63.792 62.100 -0.054 0.000 1.090 181 T CB -0.031 68.815 68.868 -0.037 0.000 0.922 181 T HN 0.199 nan 8.240 nan 0.000 0.521 182 S N -0.115 115.558 115.700 -0.045 0.000 2.387 182 S HA -0.024 4.446 4.470 -0.000 0.000 0.221 182 S C 1.964 176.543 174.600 -0.034 0.000 1.041 182 S CA 0.166 58.344 58.200 -0.036 0.000 0.959 182 S CB -0.489 62.617 63.200 -0.156 0.000 0.843 182 S HN 0.688 nan 8.310 nan 0.000 0.488 183 H N 1.185 120.282 119.070 0.045 0.000 2.387 183 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 183 H C 2.389 177.583 175.328 -0.224 0.000 1.099 183 H CA 1.693 57.784 56.048 0.072 0.000 1.315 183 H CB -0.270 29.683 29.762 0.318 0.000 1.380 183 H HN 0.377 nan 8.280 nan 0.000 0.513 184 R N 0.077 120.251 120.500 -0.542 0.000 2.073 184 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 184 R C 2.302 178.387 176.300 -0.359 0.000 1.134 184 R CA 1.396 56.880 56.100 -1.025 0.000 0.952 184 R CB -0.440 29.213 30.300 -1.078 0.000 0.850 184 R HN 0.247 nan 8.270 nan 0.000 0.433 185 Y N 0.925 121.070 120.300 -0.258 0.000 2.145 185 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 185 Y C 1.976 177.823 175.900 -0.090 0.000 1.145 185 Y CA 1.765 59.780 58.100 -0.142 0.000 1.148 185 Y CB -0.374 38.028 38.460 -0.097 0.000 0.981 185 Y HN 0.028 nan 8.280 nan 0.000 0.507 186 V N -1.197 118.584 119.914 -0.223 0.000 2.488 186 V HA -0.111 4.008 4.120 -0.000 0.000 0.246 186 V C 2.273 178.258 176.094 -0.181 0.000 1.046 186 V CA 1.838 63.979 62.300 -0.265 0.000 1.053 186 V CB -1.369 30.417 31.823 -0.061 0.000 0.679 186 V HN 0.509 nan 8.190 nan 0.000 0.458 187 S N 1.132 116.774 115.700 -0.097 0.000 2.368 187 S HA -0.285 4.185 4.470 -0.000 0.000 0.225 187 S C 2.084 176.641 174.600 -0.073 0.000 1.030 187 S CA 1.870 60.048 58.200 -0.037 0.000 0.999 187 S CB -0.642 62.590 63.200 0.052 0.000 0.844 187 S HN 0.748 nan 8.310 nan 0.000 0.459 188 K N 1.315 121.638 120.400 -0.128 0.000 2.025 188 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 188 K C 2.517 179.031 176.600 -0.145 0.000 1.049 188 K CA 1.215 57.436 56.287 -0.111 0.000 0.933 188 K CB -0.196 32.239 32.500 -0.107 0.000 0.714 188 K HN 0.278 nan 8.250 nan 0.000 0.438 189 R N 0.593 120.929 120.500 -0.273 0.000 2.096 189 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 189 R C 1.957 178.163 176.300 -0.156 0.000 1.127 189 R CA 1.673 57.605 56.100 -0.279 0.000 0.968 189 R CB -0.660 29.323 30.300 -0.528 0.000 0.861 189 R HN 0.338 nan 8.270 nan 0.000 0.440 190 A N 0.319 123.060 122.820 -0.132 0.000 1.877 190 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 190 A C 2.396 179.955 177.584 -0.042 0.000 1.186 190 A CA 1.764 53.759 52.037 -0.069 0.000 0.620 190 A CB -1.147 17.823 19.000 -0.051 0.000 0.822 190 A HN 0.489 nan 8.150 nan 0.000 0.443 191 A N -0.264 122.534 122.820 -0.037 0.000 1.908 191 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 191 A C 1.912 179.487 177.584 -0.016 0.000 1.181 191 A CA 1.879 53.907 52.037 -0.014 0.000 0.627 191 A CB -0.600 18.399 19.000 -0.002 0.000 0.818 191 A HN 0.644 nan 8.150 nan 0.000 0.445 192 E N -0.422 119.760 120.200 -0.030 0.000 2.085 192 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 192 E C 1.838 178.428 176.600 -0.018 0.000 0.994 192 E CA 1.364 57.750 56.400 -0.023 0.000 0.801 192 E CB -0.286 29.394 29.700 -0.032 0.000 0.743 192 E HN 0.715 nan 8.360 nan 0.000 0.453 193 I N 0.672 121.228 120.570 -0.024 0.000 2.361 193 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 193 I C 1.893 178.006 176.117 -0.006 0.000 1.133 193 I CA 0.908 62.199 61.300 -0.014 0.000 1.413 193 I CB -0.056 37.933 38.000 -0.017 0.000 1.073 193 I HN 0.115 nan 8.210 nan 0.000 0.424 194 L N 0.434 121.654 121.223 -0.005 0.000 2.554 194 L HA 0.166 4.506 4.340 -0.000 0.000 0.226 194 L C 1.439 178.311 176.870 0.003 0.000 1.137 194 L CA 0.389 55.230 54.840 0.001 0.000 0.863 194 L CB -0.518 41.543 42.059 0.003 0.000 0.985 194 L HN 0.442 nan 8.230 nan 0.000 0.451 195 G N 1.090 109.890 108.800 0.001 0.000 2.273 195 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.280 195 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.280 195 G C 0.047 174.950 174.900 0.005 0.000 1.047 195 G CA 0.288 45.389 45.100 0.002 0.000 0.869 195 G HN 0.408 nan 8.290 nan 0.000 0.502 196 K N -0.608 119.796 120.400 0.006 0.000 2.469 196 K HA 0.416 4.736 4.320 -0.000 0.000 0.254 196 K C 0.206 176.814 176.600 0.013 0.000 0.939 196 K CA -1.026 55.268 56.287 0.011 0.000 0.812 196 K CB 1.880 34.389 32.500 0.016 0.000 1.301 196 K HN 0.115 nan 8.250 nan 0.000 0.433 197 K N 1.682 122.091 120.400 0.014 0.000 2.436 197 K HA -0.018 4.302 4.320 -0.000 0.000 0.275 197 K C 1.046 177.667 176.600 0.035 0.000 0.999 197 K CA -0.142 56.156 56.287 0.018 0.000 0.980 197 K CB 0.463 32.970 32.500 0.011 0.000 0.919 197 K HN 0.341 nan 8.250 nan 0.000 0.484 198 L N 3.534 124.782 121.223 0.041 0.000 2.191 198 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 198 L C 1.005 177.939 176.870 0.106 0.000 1.103 198 L CA 1.883 56.762 54.840 0.065 0.000 0.769 198 L CB -0.282 41.813 42.059 0.059 0.000 0.908 198 L HN 0.598 nan 8.230 nan 0.000 0.438 199 E N 0.110 120.360 120.200 0.083 0.000 2.511 199 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 199 E C 0.745 177.374 176.600 0.048 0.000 1.066 199 E CA 0.727 57.180 56.400 0.088 0.000 0.871 199 E CB -0.165 29.548 29.700 0.021 0.000 0.863 199 E HN 0.733 nan 8.360 nan 0.000 0.520 200 E N 0.402 120.653 120.200 0.085 0.000 2.995 200 E HA 0.228 4.578 4.350 -0.000 0.000 0.203 200 E C -0.444 176.277 176.600 0.200 0.000 0.980 200 E CA -0.152 56.293 56.400 0.075 0.000 1.172 200 E CB 0.240 29.931 29.700 -0.015 0.000 1.088 200 E HN 0.065 nan 8.360 nan 0.000 0.463 201 L N 1.120 122.502 121.223 0.266 0.000 2.401 201 L HA 0.498 4.838 4.340 -0.000 0.000 0.266 201 L C -0.581 176.347 176.870 0.097 0.000 0.991 201 L CA -1.035 53.901 54.840 0.159 0.000 0.818 201 L CB 2.561 44.672 42.059 0.086 0.000 1.321 201 L HN 0.017 nan 8.230 nan 0.000 0.413 202 K N 4.348 124.750 120.400 0.003 0.000 2.292 202 K HA 0.580 4.900 4.320 -0.000 0.000 0.270 202 K C -1.011 175.563 176.600 -0.043 0.000 1.062 202 K CA -0.221 56.005 56.287 -0.100 0.000 0.916 202 K CB 1.193 33.604 32.500 -0.149 0.000 1.166 202 K HN 0.389 nan 8.250 nan 0.000 0.458 203 I N 4.115 124.669 120.570 -0.027 0.000 2.441 203 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 203 I C -0.134 175.985 176.117 0.004 0.000 0.994 203 I CA -0.868 60.431 61.300 -0.003 0.000 1.144 203 I CB 1.586 39.598 38.000 0.020 0.000 1.314 203 I HN 0.369 nan 8.210 nan 0.000 0.445 204 I N 5.163 125.736 120.570 0.004 0.000 2.330 204 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 204 I C 0.072 176.202 176.117 0.022 0.000 1.001 204 I CA -0.325 60.996 61.300 0.035 0.000 1.193 204 I CB 1.535 39.564 38.000 0.048 0.000 1.345 204 I HN 0.588 nan 8.210 nan 0.000 0.461 205 T N 2.222 116.839 114.554 0.105 0.000 2.771 205 T HA 0.425 4.775 4.350 -0.000 0.000 0.281 205 T C -0.474 174.370 174.700 0.240 0.000 0.982 205 T CA -0.669 61.531 62.100 0.166 0.000 0.978 205 T CB 0.937 70.004 68.868 0.331 0.000 0.930 205 T HN 0.537 nan 8.240 nan 0.000 0.447 206 C N 5.071 124.431 119.300 0.101 0.000 2.242 206 C HA 0.349 4.809 4.460 -0.000 0.000 0.317 206 C C 0.475 175.567 174.990 0.169 0.000 1.087 206 C CA -0.919 58.180 59.018 0.135 0.000 1.535 206 C CB -1.657 26.069 27.740 -0.024 0.000 1.893 206 C HN 0.977 nan 8.230 nan 0.000 0.426 207 H N 3.848 122.974 119.070 0.093 0.000 3.067 207 H HA 0.370 4.926 4.556 -0.000 0.000 0.265 207 H C -0.731 174.590 175.328 -0.012 0.000 1.234 207 H CA 0.267 56.263 56.048 -0.086 0.000 1.452 207 H CB 0.205 29.729 29.762 -0.396 0.000 1.527 207 H HN 0.670 nan 8.280 nan 0.000 0.486 208 I N 5.884 126.369 120.570 -0.143 0.000 2.460 208 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 208 I C 0.629 176.706 176.117 -0.067 0.000 1.057 208 I CA -0.228 61.070 61.300 -0.003 0.000 1.179 208 I CB 1.363 39.445 38.000 0.137 0.000 1.329 208 I HN 0.595 nan 8.210 nan 0.000 0.478 209 G N 3.241 111.999 108.800 -0.069 0.000 3.183 209 G HA2 0.099 4.059 3.960 -0.000 0.000 0.247 209 G HA3 0.099 4.059 3.960 -0.000 0.000 0.247 209 G C 0.412 175.368 174.900 0.094 0.000 1.211 209 G CA -0.363 44.717 45.100 -0.033 0.000 0.835 209 G HN 0.432 nan 8.290 nan 0.000 0.604 210 N N -0.292 118.459 118.700 0.085 0.000 2.205 210 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 210 N C 1.019 176.621 175.510 0.154 0.000 1.015 210 N CA 1.080 54.198 53.050 0.113 0.000 0.862 210 N CB -0.108 38.429 38.487 0.083 0.000 0.986 210 N HN 0.461 nan 8.380 nan 0.000 0.429 211 G N -0.718 108.202 108.800 0.201 0.000 2.417 211 G HA2 0.669 4.629 3.960 -0.000 0.000 0.334 211 G HA3 0.669 4.629 3.960 -0.000 0.000 0.334 211 G C -1.491 173.621 174.900 0.353 0.000 1.150 211 G CA -0.298 44.974 45.100 0.287 0.000 0.923 211 G HN 0.302 nan 8.290 nan 0.000 0.485 212 A N 0.514 123.553 122.820 0.364 0.000 2.459 212 A HA 0.856 5.176 4.320 -0.000 0.000 0.296 212 A C -0.215 177.558 177.584 0.316 0.000 1.039 212 A CA -0.103 52.122 52.037 0.314 0.000 0.698 212 A CB 1.596 20.669 19.000 0.122 0.000 1.261 212 A HN 1.944 nan 8.150 nan 0.000 0.405 213 S N 0.394 116.351 115.700 0.427 0.000 2.588 213 S HA 0.829 5.299 4.470 -0.000 0.000 0.275 213 S C -1.084 173.733 174.600 0.362 0.000 1.130 213 S CA -0.686 57.714 58.200 0.334 0.000 0.855 213 S CB 1.482 64.948 63.200 0.444 0.000 1.116 213 S HN 1.181 nan 8.310 nan 0.000 0.472 214 V N 1.033 121.039 119.914 0.153 0.000 2.581 214 V HA 0.884 5.004 4.120 -0.000 0.000 0.303 214 V C 0.217 176.352 176.094 0.069 0.000 1.041 214 V CA -0.381 62.042 62.300 0.204 0.000 0.907 214 V CB 1.440 33.337 31.823 0.123 0.000 0.994 214 V HN 1.302 nan 8.190 nan 0.000 0.442 215 A N 3.076 125.824 122.820 -0.120 0.000 2.350 215 A HA 0.910 5.230 4.320 -0.000 0.000 0.324 215 A C -0.151 177.350 177.584 -0.138 0.000 1.118 215 A CA -0.462 51.395 52.037 -0.299 0.000 0.783 215 A CB 1.553 20.235 19.000 -0.530 0.000 1.236 215 A HN 1.319 nan 8.150 nan 0.000 0.457 216 A N 1.849 124.450 122.820 -0.366 0.000 2.280 216 A HA 0.569 4.889 4.320 -0.000 0.000 0.320 216 A C -0.583 176.878 177.584 -0.205 0.000 1.366 216 A CA -0.337 51.523 52.037 -0.294 0.000 0.938 216 A CB 0.036 18.710 19.000 -0.543 0.000 1.157 216 A HN 1.072 nan 8.150 nan 0.000 0.536 217 V N 4.205 124.067 119.914 -0.086 0.000 2.240 217 V HA 0.211 4.331 4.120 -0.000 0.000 0.265 217 V C 0.399 176.451 176.094 -0.070 0.000 1.073 217 V CA -0.419 61.863 62.300 -0.028 0.000 0.857 217 V CB 0.505 32.417 31.823 0.149 0.000 1.114 217 V HN 0.830 nan 8.190 nan 0.000 0.469 218 K N 4.179 124.488 120.400 -0.152 0.000 2.263 218 K HA 0.279 4.599 4.320 -0.000 0.000 0.282 218 K C -0.463 176.029 176.600 -0.179 0.000 1.089 218 K CA -0.458 55.652 56.287 -0.295 0.000 0.907 218 K CB 0.129 32.411 32.500 -0.363 0.000 1.148 218 K HN 0.542 nan 8.250 nan 0.000 0.470 219 Y N 2.036 122.340 120.300 0.007 0.000 3.589 219 Y HA -0.272 4.278 4.550 -0.000 0.000 0.218 219 Y C 1.023 176.941 175.900 0.030 0.000 1.234 219 Y CA 1.256 59.364 58.100 0.014 0.000 1.576 219 Y CB -2.265 36.198 38.460 0.004 0.000 1.487 219 Y HN 1.042 nan 8.280 nan 0.000 0.616 220 G N -1.414 107.486 108.800 0.167 0.000 2.217 220 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 220 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 220 G C 0.307 175.313 174.900 0.177 0.000 0.990 220 G CA 0.207 45.409 45.100 0.171 0.000 0.627 220 G HN 0.441 nan 8.290 nan 0.000 0.522 221 K N -0.092 120.353 120.400 0.075 0.000 2.221 221 K HA 0.565 4.885 4.320 -0.000 0.000 0.258 221 K C -0.041 176.440 176.600 -0.198 0.000 0.944 221 K CA -0.564 55.694 56.287 -0.049 0.000 0.823 221 K CB 2.315 34.798 32.500 -0.029 0.000 1.113 221 K HN 0.216 nan 8.250 nan 0.000 0.431 222 C N 2.911 121.922 119.300 -0.483 0.000 2.585 222 C HA 0.157 4.617 4.460 -0.000 0.000 0.406 222 C C 1.497 176.307 174.990 -0.300 0.000 1.312 222 C CA -0.229 58.496 59.018 -0.488 0.000 1.924 222 C CB -0.460 26.807 27.740 -0.789 0.000 2.578 222 C HN 0.718 nan 8.230 nan 0.000 0.580 223 V N 4.207 123.958 119.914 -0.272 0.000 3.635 223 V HA 0.302 4.422 4.120 -0.000 0.000 0.266 223 V C 0.257 176.188 176.094 -0.272 0.000 1.316 223 V CA 0.943 63.104 62.300 -0.231 0.000 1.060 223 V CB -0.098 31.603 31.823 -0.203 0.000 0.820 223 V HN 0.913 nan 8.190 nan 0.000 0.447 224 D N -1.553 118.607 120.400 -0.400 0.000 2.663 224 D HA 0.407 5.047 4.640 -0.000 0.000 0.233 224 D C -1.179 174.769 176.300 -0.588 0.000 1.240 224 D CA 0.104 53.815 54.000 -0.482 0.000 0.774 224 D CB 2.600 43.017 40.800 -0.639 0.000 1.443 224 D HN 0.026 nan 8.370 nan 0.000 0.441 225 T N -0.570 113.755 114.554 -0.383 0.000 2.900 225 T HA 0.375 4.724 4.350 -0.000 0.000 0.303 225 T C 1.167 175.876 174.700 0.014 0.000 1.142 225 T CA 0.270 62.200 62.100 -0.285 0.000 1.007 225 T CB 1.368 69.854 68.868 -0.637 0.000 1.156 225 T HN 0.287 nan 8.240 nan 0.000 0.490 226 S N 4.120 119.862 115.700 0.070 0.000 2.356 226 S HA 0.031 4.501 4.470 -0.000 0.000 0.223 226 S C 1.149 175.770 174.600 0.035 0.000 1.032 226 S CA 0.708 58.884 58.200 -0.039 0.000 1.005 226 S CB -0.583 62.369 63.200 -0.414 0.000 0.867 226 S HN 0.718 nan 8.310 nan 0.000 0.449 227 M N 1.159 120.784 119.600 0.042 0.000 2.198 227 M HA 0.441 4.921 4.480 -0.000 0.000 0.315 227 M C 1.155 177.565 176.300 0.184 0.000 1.134 227 M CA 0.263 55.647 55.300 0.140 0.000 1.171 227 M CB 0.707 33.435 32.600 0.212 0.000 1.413 227 M HN 0.476 nan 8.290 nan 0.000 0.467 228 G N -0.160 108.828 108.800 0.313 0.000 3.286 228 G HA2 0.235 4.195 3.960 -0.000 0.000 0.166 228 G HA3 0.235 4.195 3.960 -0.000 0.000 0.166 228 G C 0.031 175.240 174.900 0.514 0.000 1.155 228 G CA -0.348 45.001 45.100 0.416 0.000 0.871 228 G HN 0.687 nan 8.290 nan 0.000 0.637 229 F N 1.922 122.139 119.950 0.445 0.000 2.192 229 F HA 0.072 4.599 4.527 -0.000 0.000 0.301 229 F C 1.487 177.651 175.800 0.606 0.000 1.079 229 F CA 1.838 60.150 58.000 0.520 0.000 1.303 229 F CB -0.080 39.144 39.000 0.373 0.000 1.024 229 F HN 0.474 nan 8.300 nan 0.000 0.494 230 T N -4.303 110.548 114.554 0.495 0.000 2.838 230 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 230 T C -2.456 172.374 174.700 0.217 0.000 1.113 230 T CA -1.692 60.577 62.100 0.282 0.000 1.008 230 T CB 1.567 70.564 68.868 0.215 0.000 1.259 230 T HN -0.296 nan 8.240 nan 0.000 0.520 231 P HA 0.286 nan 4.420 nan 0.000 0.253 231 P C 0.908 178.213 177.300 0.008 0.000 1.281 231 P CA -0.016 63.014 63.100 -0.118 0.000 0.792 231 P CB -0.199 31.299 31.700 -0.338 0.000 1.193 232 L N -0.796 120.466 121.223 0.066 0.000 2.209 232 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 232 L C 1.363 178.282 176.870 0.082 0.000 1.094 232 L CA 0.846 55.720 54.840 0.057 0.000 0.790 232 L CB -0.429 41.662 42.059 0.053 0.000 0.932 232 L HN 0.013 nan 8.230 nan 0.000 0.447 233 E N -0.922 119.354 120.200 0.127 0.000 2.398 233 E HA 0.349 4.699 4.350 -0.000 0.000 0.263 233 E C 0.738 177.398 176.600 0.099 0.000 1.046 233 E CA 0.660 57.144 56.400 0.139 0.000 0.908 233 E CB 0.380 30.202 29.700 0.204 0.000 0.963 233 E HN 0.217 nan 8.360 nan 0.000 0.431 234 G N 2.556 111.422 108.800 0.111 0.000 2.578 234 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 234 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 234 G C -0.283 174.608 174.900 -0.014 0.000 1.176 234 G CA -0.262 44.846 45.100 0.013 0.000 0.968 234 G HN 0.574 nan 8.290 nan 0.000 0.583 235 L N 0.807 121.931 121.223 -0.166 0.000 2.482 235 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 235 L C 1.354 178.184 176.870 -0.066 0.000 1.228 235 L CA -0.572 54.189 54.840 -0.133 0.000 0.827 235 L CB 0.249 42.188 42.059 -0.201 0.000 1.099 235 L HN 0.446 nan 8.230 nan 0.000 0.494 236 V N 2.809 122.655 119.914 -0.113 0.000 2.585 236 V HA 0.049 4.169 4.120 -0.000 0.000 0.296 236 V C 0.550 176.655 176.094 0.019 0.000 1.035 236 V CA 0.542 62.832 62.300 -0.018 0.000 1.084 236 V CB 0.764 32.609 31.823 0.037 0.000 0.953 236 V HN 0.625 nan 8.190 nan 0.000 0.483 237 M N 2.885 122.563 119.600 0.130 0.000 2.861 237 M HA 0.483 4.963 4.480 -0.000 0.000 0.294 237 M C 1.609 178.042 176.300 0.222 0.000 1.185 237 M CA -0.080 55.332 55.300 0.187 0.000 0.809 237 M CB 1.158 33.836 32.600 0.130 0.000 1.722 237 M HN 0.606 nan 8.290 nan 0.000 0.496 238 G N -0.259 108.654 108.800 0.187 0.000 2.459 238 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 238 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 238 G C 1.164 176.153 174.900 0.148 0.000 1.183 238 G CA 1.883 47.077 45.100 0.157 0.000 0.776 238 G HN 0.769 nan 8.290 nan 0.000 0.552 239 T N -3.208 111.405 114.554 0.099 0.000 3.058 239 T HA 0.389 4.739 4.350 -0.000 0.000 0.278 239 T C 0.819 175.539 174.700 0.033 0.000 0.974 239 T CA -0.501 61.634 62.100 0.058 0.000 0.893 239 T CB 0.507 69.356 68.868 -0.032 0.000 1.138 239 T HN 0.138 nan 8.240 nan 0.000 0.529 240 R N 1.720 122.247 120.500 0.046 0.000 2.428 240 R HA 0.502 4.841 4.340 -0.000 0.000 0.294 240 R C 1.334 177.662 176.300 0.048 0.000 1.000 240 R CA 0.230 56.342 56.100 0.019 0.000 0.960 240 R CB 1.332 31.640 30.300 0.012 0.000 1.076 240 R HN 0.338 nan 8.270 nan 0.000 0.475 241 S N 1.176 116.893 115.700 0.027 0.000 2.481 241 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 241 S C 1.174 175.810 174.600 0.060 0.000 0.996 241 S CA 0.307 58.536 58.200 0.049 0.000 0.942 241 S CB -0.291 62.928 63.200 0.032 0.000 0.768 241 S HN 1.000 nan 8.310 nan 0.000 0.520 242 G N 1.624 110.456 108.800 0.054 0.000 2.641 242 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 242 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 242 G C -0.982 173.965 174.900 0.078 0.000 1.315 242 G CA -0.157 44.981 45.100 0.063 0.000 0.907 242 G HN 0.465 nan 8.290 nan 0.000 0.572 243 D N 0.712 121.173 120.400 0.102 0.000 2.583 243 D HA 0.369 5.009 4.640 -0.000 0.000 0.232 243 D C 0.625 176.975 176.300 0.083 0.000 1.128 243 D CA 1.526 55.590 54.000 0.108 0.000 0.859 243 D CB 0.644 41.523 40.800 0.132 0.000 1.169 243 D HN 0.953 nan 8.370 nan 0.000 0.481 244 L N -0.339 120.929 121.223 0.075 0.000 2.469 244 L HA 0.420 4.760 4.340 -0.000 0.000 0.256 244 L C -0.358 176.553 176.870 0.069 0.000 1.006 244 L CA -1.222 53.659 54.840 0.067 0.000 0.832 244 L CB 0.789 42.886 42.059 0.064 0.000 1.421 244 L HN -0.026 nan 8.230 nan 0.000 0.410 245 D N 2.195 122.633 120.400 0.063 0.000 2.661 245 D HA 0.005 4.645 4.640 -0.000 0.000 0.244 245 D C -1.517 174.842 176.300 0.098 0.000 1.196 245 D CA -0.536 53.504 54.000 0.066 0.000 0.881 245 D CB 1.065 41.895 40.800 0.050 0.000 1.141 245 D HN 0.477 nan 8.370 nan 0.000 0.530 246 P HA -0.223 nan 4.420 nan 0.000 0.219 246 P C 0.865 178.336 177.300 0.286 0.000 1.151 246 P CA 2.051 65.251 63.100 0.167 0.000 0.850 246 P CB 0.159 31.934 31.700 0.126 0.000 0.784 247 A N -1.575 121.376 122.820 0.218 0.000 2.016 247 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 247 A C 2.150 179.936 177.584 0.337 0.000 1.162 247 A CA 0.776 52.984 52.037 0.285 0.000 0.662 247 A CB -1.335 17.744 19.000 0.132 0.000 0.812 247 A HN 0.111 nan 8.150 nan 0.000 0.450 248 I N 0.255 120.948 120.570 0.206 0.000 2.118 248 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 248 I C -0.532 175.704 176.117 0.198 0.000 1.070 248 I CA 1.765 63.169 61.300 0.174 0.000 1.327 248 I CB -1.093 36.967 38.000 0.100 0.000 1.034 248 I HN 0.205 nan 8.210 nan 0.000 0.405 249 P HA -0.191 nan 4.420 nan 0.000 0.216 249 P C 1.579 178.822 177.300 -0.095 0.000 1.153 249 P CA 1.711 64.772 63.100 -0.065 0.000 0.858 249 P CB -0.130 31.421 31.700 -0.249 0.000 0.789 250 F N -2.370 117.642 119.950 0.104 0.000 2.186 250 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 250 F C 2.267 178.132 175.800 0.109 0.000 1.090 250 F CA 1.041 59.094 58.000 0.089 0.000 1.307 250 F CB -1.305 37.744 39.000 0.081 0.000 1.019 250 F HN -0.146 nan 8.300 nan 0.000 0.489 251 F N 0.923 120.996 119.950 0.204 0.000 2.102 251 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 251 F C 2.181 178.025 175.800 0.075 0.000 1.105 251 F CA 1.535 59.607 58.000 0.119 0.000 1.239 251 F CB -0.472 38.587 39.000 0.098 0.000 0.991 251 F HN -0.139 nan 8.300 nan 0.000 0.474 252 I N -0.139 120.555 120.570 0.207 0.000 2.226 252 I HA -0.353 3.817 4.170 -0.000 0.000 0.245 252 I C 2.416 178.517 176.117 -0.027 0.000 1.100 252 I CA 1.559 62.909 61.300 0.084 0.000 1.374 252 I CB -0.557 37.519 38.000 0.126 0.000 1.057 252 I HN 0.222 nan 8.210 nan 0.000 0.413 253 M N 0.010 119.600 119.600 -0.017 0.000 2.080 253 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 253 M C 2.349 178.619 176.300 -0.050 0.000 1.068 253 M CA 1.845 57.126 55.300 -0.032 0.000 1.109 253 M CB -0.501 32.078 32.600 -0.034 0.000 1.342 253 M HN 0.207 nan 8.290 nan 0.000 0.405 254 E N 0.286 120.446 120.200 -0.066 0.000 2.072 254 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 254 E C 1.807 178.308 176.600 -0.165 0.000 0.985 254 E CA 0.902 57.247 56.400 -0.091 0.000 0.801 254 E CB 0.219 29.878 29.700 -0.068 0.000 0.750 254 E HN 0.266 nan 8.360 nan 0.000 0.452 255 K N 0.377 120.599 120.400 -0.297 0.000 2.365 255 K HA -0.056 4.264 4.320 -0.000 0.000 0.199 255 K C 1.284 177.796 176.600 -0.146 0.000 1.045 255 K CA 0.758 56.865 56.287 -0.299 0.000 0.962 255 K CB 0.176 32.373 32.500 -0.505 0.000 0.759 255 K HN 0.243 nan 8.250 nan 0.000 0.469 256 E N -0.679 119.459 120.200 -0.103 0.000 2.601 256 E HA 0.096 4.446 4.350 -0.000 0.000 0.219 256 E C -0.142 176.438 176.600 -0.034 0.000 0.964 256 E CA -0.018 56.352 56.400 -0.051 0.000 1.050 256 E CB 0.850 30.534 29.700 -0.027 0.000 1.068 256 E HN 0.276 nan 8.360 nan 0.000 0.496 257 G N 2.631 111.408 108.800 -0.038 0.000 2.392 257 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.290 257 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.290 257 G C -0.225 174.666 174.900 -0.015 0.000 1.032 257 G CA 0.210 45.297 45.100 -0.023 0.000 1.269 257 G HN 0.191 nan 8.290 nan 0.000 0.511 258 I N 1.017 121.578 120.570 -0.015 0.000 2.534 258 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 258 I C 0.836 176.946 176.117 -0.011 0.000 1.077 258 I CA -0.724 60.570 61.300 -0.010 0.000 1.051 258 I CB 2.081 40.075 38.000 -0.010 0.000 1.234 258 I HN 0.499 nan 8.210 nan 0.000 0.425 259 S N 6.685 122.381 115.700 -0.006 0.000 2.600 259 S HA 0.301 4.771 4.470 -0.000 0.000 0.265 259 S C -1.540 173.053 174.600 -0.012 0.000 1.325 259 S CA -0.836 57.359 58.200 -0.007 0.000 1.002 259 S CB 0.762 63.960 63.200 -0.004 0.000 0.921 259 S HN 0.522 nan 8.310 nan 0.000 0.554 260 P HA -0.166 nan 4.420 nan 0.000 0.218 260 P C 1.435 178.740 177.300 0.008 0.000 1.148 260 P CA 1.275 64.354 63.100 -0.034 0.000 0.822 260 P CB 0.085 31.753 31.700 -0.053 0.000 0.784 261 Q N 1.161 120.965 119.800 0.006 0.000 1.993 261 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 261 Q C 2.275 178.320 176.000 0.076 0.000 0.984 261 Q CA 1.942 57.769 55.803 0.040 0.000 0.837 261 Q CB -0.872 27.872 28.738 0.011 0.000 0.902 261 Q HN 0.284 nan 8.270 nan 0.000 0.423 262 E N -0.547 119.675 120.200 0.037 0.000 2.097 262 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 262 E C 1.860 178.478 176.600 0.030 0.000 1.000 262 E CA 1.504 57.922 56.400 0.029 0.000 0.804 262 E CB -0.266 29.441 29.700 0.013 0.000 0.740 262 E HN 0.369 nan 8.360 nan 0.000 0.454 263 M N 0.091 119.708 119.600 0.027 0.000 2.123 263 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 263 M C 2.049 178.367 176.300 0.031 0.000 1.069 263 M CA 1.451 56.758 55.300 0.011 0.000 1.133 263 M CB -0.542 32.041 32.600 -0.029 0.000 1.356 263 M HN 0.126 nan 8.290 nan 0.000 0.415 264 Y N 0.965 121.232 120.300 -0.054 0.000 2.165 264 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 264 Y C 1.717 177.602 175.900 -0.024 0.000 1.155 264 Y CA 2.385 60.460 58.100 -0.041 0.000 1.164 264 Y CB -0.557 37.879 38.460 -0.040 0.000 0.978 264 Y HN 0.326 nan 8.280 nan 0.000 0.513 265 D N 0.352 120.773 120.400 0.036 0.000 2.104 265 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 265 D C 2.306 178.545 176.300 -0.102 0.000 0.994 265 D CA 2.024 55.996 54.000 -0.047 0.000 0.830 265 D CB -0.462 40.352 40.800 0.024 0.000 0.959 265 D HN 0.472 nan 8.370 nan 0.000 0.452 266 I N 0.480 121.015 120.570 -0.057 0.000 2.208 266 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 266 I C 2.293 178.373 176.117 -0.063 0.000 1.097 266 I CA 0.731 62.007 61.300 -0.040 0.000 1.363 266 I CB -0.129 37.869 38.000 -0.003 0.000 1.051 266 I HN 0.004 nan 8.210 nan 0.000 0.413 267 L N 0.036 121.195 121.223 -0.107 0.000 2.362 267 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 267 L C 2.083 178.855 176.870 -0.164 0.000 1.134 267 L CA 1.167 55.937 54.840 -0.117 0.000 0.807 267 L CB -0.511 41.465 42.059 -0.139 0.000 0.927 267 L HN 0.426 nan 8.230 nan 0.000 0.447 268 N N -0.675 117.881 118.700 -0.242 0.000 2.460 268 N HA -0.009 4.731 4.740 -0.000 0.000 0.193 268 N C 1.440 176.861 175.510 -0.150 0.000 1.080 268 N CA 0.203 53.099 53.050 -0.258 0.000 0.869 268 N CB 0.601 38.802 38.487 -0.476 0.000 1.201 268 N HN 0.252 nan 8.380 nan 0.000 0.457 269 K N -0.046 120.270 120.400 -0.140 0.000 2.387 269 K HA 0.196 4.516 4.320 -0.000 0.000 0.197 269 K C 0.973 177.445 176.600 -0.213 0.000 1.127 269 K CA 0.244 56.442 56.287 -0.149 0.000 0.950 269 K CB 0.700 33.118 32.500 -0.136 0.000 1.017 269 K HN -0.123 nan 8.250 nan 0.000 0.519 270 K N 0.578 120.892 120.400 -0.143 0.000 2.374 270 K HA 0.240 4.560 4.320 -0.000 0.000 0.202 270 K C 0.186 176.864 176.600 0.131 0.000 1.040 270 K CA -0.085 56.139 56.287 -0.104 0.000 1.085 270 K CB 1.075 33.571 32.500 -0.006 0.000 0.873 270 K HN -0.055 nan 8.250 nan 0.000 0.539 271 S N -0.756 114.993 115.700 0.081 0.000 2.505 271 S HA 0.575 5.045 4.470 -0.000 0.000 0.273 271 S C 0.801 175.499 174.600 0.164 0.000 1.123 271 S CA -0.230 58.046 58.200 0.127 0.000 1.006 271 S CB 0.524 63.762 63.200 0.063 0.000 1.243 271 S HN 0.440 nan 8.310 nan 0.000 0.498 272 G N 0.518 109.401 108.800 0.139 0.000 2.614 272 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.303 272 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.303 272 G C 0.922 175.940 174.900 0.197 0.000 1.270 272 G CA 0.327 45.525 45.100 0.162 0.000 0.988 272 G HN 0.715 nan 8.290 nan 0.000 0.551 273 V N 0.119 120.162 119.914 0.216 0.000 2.282 273 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 273 V C 2.263 178.476 176.094 0.198 0.000 1.057 273 V CA 3.125 65.539 62.300 0.190 0.000 1.032 273 V CB -1.052 30.859 31.823 0.147 0.000 0.645 273 V HN 0.598 nan 8.190 nan 0.000 0.447 274 Y N 1.456 121.815 120.300 0.099 0.000 2.081 274 Y HA -0.250 4.300 4.550 0.000 0.000 0.280 274 Y C 2.350 178.321 175.900 0.118 0.000 1.163 274 Y CA 2.144 60.303 58.100 0.097 0.000 1.135 274 Y CB -0.851 37.647 38.460 0.063 0.000 0.970 274 Y HN 0.222 nan 8.280 nan 0.000 0.498 275 G N 0.267 109.272 108.800 0.340 0.000 2.459 275 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 275 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 275 G C 1.664 176.668 174.900 0.174 0.000 1.183 275 G CA 1.351 46.598 45.100 0.245 0.000 0.776 275 G HN 0.462 nan 8.290 nan 0.000 0.552 276 L N 1.376 122.708 121.223 0.181 0.000 2.079 276 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 276 L C 2.740 179.798 176.870 0.314 0.000 1.081 276 L CA 1.503 56.468 54.840 0.209 0.000 0.752 276 L CB -0.259 41.880 42.059 0.134 0.000 0.896 276 L HN 0.413 nan 8.230 nan 0.000 0.433 277 S N -1.290 114.540 115.700 0.217 0.000 2.679 277 S HA 0.098 4.568 4.470 -0.000 0.000 0.233 277 S C 0.698 175.369 174.600 0.120 0.000 0.951 277 S CA -0.416 57.942 58.200 0.264 0.000 0.973 277 S CB -0.201 63.138 63.200 0.231 0.000 0.778 277 S HN 0.367 nan 8.310 nan 0.000 0.477 278 K N 0.116 120.549 120.400 0.054 0.000 3.193 278 K HA -0.190 4.130 4.320 -0.000 0.000 0.294 278 K C 0.806 177.316 176.600 -0.150 0.000 1.185 278 K CA 0.489 56.755 56.287 -0.036 0.000 0.866 278 K CB -2.207 30.250 32.500 -0.071 0.000 1.227 278 K HN 1.098 nan 8.250 nan 0.000 0.467 279 G N -0.430 108.114 108.800 -0.426 0.000 2.131 279 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.201 279 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.201 279 G C 0.322 174.961 174.900 -0.435 0.000 1.000 279 G CA 0.192 44.776 45.100 -0.860 0.000 0.680 279 G HN 0.268 nan 8.290 nan 0.000 0.514 280 F N 1.285 121.027 119.950 -0.347 0.000 2.074 280 F HA 0.539 5.066 4.527 0.000 0.000 0.293 280 F C 1.271 177.009 175.800 -0.103 0.000 1.116 280 F CA 1.951 59.862 58.000 -0.148 0.000 1.212 280 F CB 0.214 39.178 39.000 -0.060 0.000 0.998 280 F HN 0.527 nan 8.300 nan 0.000 0.471 281 S N -1.933 113.680 115.700 -0.145 0.000 2.611 281 S HA 0.399 4.869 4.470 -0.000 0.000 0.268 281 S C 0.094 174.745 174.600 0.084 0.000 1.156 281 S CA -0.115 58.014 58.200 -0.118 0.000 0.817 281 S CB 0.923 63.963 63.200 -0.267 0.000 1.122 281 S HN 0.329 nan 8.310 nan 0.000 0.466 282 S N 0.670 116.458 115.700 0.145 0.000 2.526 282 S HA 0.261 4.731 4.470 -0.000 0.000 0.220 282 S C -0.062 174.586 174.600 0.079 0.000 1.017 282 S CA -0.015 58.288 58.200 0.172 0.000 0.930 282 S CB -0.055 63.265 63.200 0.201 0.000 0.856 282 S HN 0.632 nan 8.310 nan 0.000 0.497 283 D N 1.920 122.338 120.400 0.031 0.000 2.325 283 D HA 0.236 4.876 4.640 -0.000 0.000 0.251 283 D C 1.097 177.378 176.300 -0.032 0.000 1.196 283 D CA -0.270 53.729 54.000 -0.003 0.000 0.866 283 D CB 0.759 41.548 40.800 -0.020 0.000 1.101 283 D HN -0.038 nan 8.370 nan 0.000 0.476 284 M N 3.866 123.419 119.600 -0.078 0.000 2.202 284 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 284 M C 1.811 178.039 176.300 -0.121 0.000 1.063 284 M CA 1.342 56.533 55.300 -0.182 0.000 1.097 284 M CB -0.460 31.925 32.600 -0.358 0.000 1.382 284 M HN 0.558 nan 8.290 nan 0.000 0.413 285 R N -1.371 119.086 120.500 -0.072 0.000 2.236 285 R HA -0.064 4.276 4.340 -0.000 0.000 0.208 285 R C 1.100 177.394 176.300 -0.010 0.000 1.036 285 R CA 1.019 57.093 56.100 -0.044 0.000 1.001 285 R CB -0.668 29.611 30.300 -0.036 0.000 0.896 285 R HN 0.206 nan 8.270 nan 0.000 0.464 286 D N 1.491 121.890 120.400 -0.001 0.000 2.178 286 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 286 D C 1.893 178.291 176.300 0.163 0.000 0.980 286 D CA 0.955 54.980 54.000 0.041 0.000 0.842 286 D CB 0.006 40.779 40.800 -0.046 0.000 0.948 286 D HN 0.274 nan 8.370 nan 0.000 0.472 287 I N 0.394 121.033 120.570 0.115 0.000 2.333 287 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 287 I C 2.353 178.487 176.117 0.028 0.000 1.106 287 I CA 0.622 61.986 61.300 0.107 0.000 1.411 287 I CB -0.005 38.016 38.000 0.035 0.000 1.082 287 I HN -0.059 nan 8.210 nan 0.000 0.420 288 E N 1.232 121.424 120.200 -0.013 0.000 2.058 288 E HA -0.336 4.014 4.350 -0.000 0.000 0.194 288 E C 2.066 178.666 176.600 -0.001 0.000 0.997 288 E CA 1.892 58.277 56.400 -0.025 0.000 0.801 288 E CB -0.046 29.629 29.700 -0.042 0.000 0.746 288 E HN 0.457 nan 8.360 nan 0.000 0.450 289 E N -0.117 120.094 120.200 0.019 0.000 2.058 289 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 289 E C 1.923 178.546 176.600 0.038 0.000 0.997 289 E CA 1.405 57.823 56.400 0.030 0.000 0.801 289 E CB -0.266 29.460 29.700 0.043 0.000 0.746 289 E HN 0.342 nan 8.360 nan 0.000 0.450 290 A N 0.922 123.781 122.820 0.065 0.000 1.930 290 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 290 A C 2.387 179.963 177.584 -0.013 0.000 1.175 290 A CA 1.665 53.721 52.037 0.032 0.000 0.627 290 A CB -0.730 18.278 19.000 0.013 0.000 0.815 290 A HN 0.446 nan 8.150 nan 0.000 0.443 291 A N -0.261 122.550 122.820 -0.015 0.000 1.898 291 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 291 A C 2.078 179.651 177.584 -0.018 0.000 1.181 291 A CA 1.404 53.424 52.037 -0.027 0.000 0.620 291 A CB -0.566 18.412 19.000 -0.036 0.000 0.819 291 A HN 0.453 nan 8.150 nan 0.000 0.442 292 L N -0.893 120.323 121.223 -0.011 0.000 2.275 292 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 292 L C 2.008 178.875 176.870 -0.006 0.000 1.119 292 L CA 1.077 55.912 54.840 -0.009 0.000 0.790 292 L CB -0.180 41.875 42.059 -0.006 0.000 0.919 292 L HN 0.310 nan 8.230 nan 0.000 0.443 293 K N -0.334 120.064 120.400 -0.003 0.000 2.444 293 K HA 0.133 4.453 4.320 -0.000 0.000 0.193 293 K C 1.207 177.803 176.600 -0.007 0.000 1.024 293 K CA 0.574 56.860 56.287 -0.002 0.000 1.077 293 K CB 0.348 32.851 32.500 0.006 0.000 0.833 293 K HN 0.368 nan 8.250 nan 0.000 0.517 294 G N 1.839 110.633 108.800 -0.011 0.000 2.179 294 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 294 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 294 G C -0.260 174.633 174.900 -0.013 0.000 0.990 294 G CA -0.082 45.011 45.100 -0.011 0.000 0.646 294 G HN 0.456 nan 8.290 nan 0.000 0.517 295 D N 0.925 121.312 120.400 -0.022 0.000 2.389 295 D HA 0.140 4.780 4.640 -0.000 0.000 0.263 295 D C 1.439 177.738 176.300 -0.001 0.000 1.255 295 D CA -0.042 53.943 54.000 -0.026 0.000 0.914 295 D CB 0.532 41.288 40.800 -0.073 0.000 1.116 295 D HN 0.250 nan 8.370 nan 0.000 0.502 296 E N 3.757 123.977 120.200 0.032 0.000 2.118 296 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 296 E C 1.574 178.223 176.600 0.082 0.000 0.992 296 E CA 0.728 57.159 56.400 0.053 0.000 0.804 296 E CB -0.183 29.563 29.700 0.077 0.000 0.741 296 E HN 0.747 nan 8.360 nan 0.000 0.458 297 W N 0.437 121.687 121.300 -0.084 0.000 2.388 297 W HA -0.193 4.467 4.660 -0.000 0.000 0.294 297 W C 2.023 178.495 176.519 -0.078 0.000 1.212 297 W CA 0.947 58.242 57.345 -0.084 0.000 1.271 297 W CB -0.170 29.224 29.460 -0.109 0.000 1.126 297 W HN 0.091 nan 8.180 nan 0.000 0.535 298 C N 0.626 119.879 119.300 -0.079 0.000 2.446 298 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 298 C C 2.589 177.484 174.990 -0.159 0.000 1.275 298 C CA 1.091 60.025 59.018 -0.141 0.000 1.727 298 C CB -1.119 26.571 27.740 -0.083 0.000 2.010 298 C HN 0.285 nan 8.230 nan 0.000 0.486 299 K N 0.259 120.588 120.400 -0.118 0.000 2.127 299 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 299 K C 1.798 178.308 176.600 -0.150 0.000 1.047 299 K CA 1.453 57.678 56.287 -0.102 0.000 0.927 299 K CB -0.384 32.075 32.500 -0.069 0.000 0.716 299 K HN 0.364 nan 8.250 nan 0.000 0.450 300 L N 0.460 121.520 121.223 -0.272 0.000 2.044 300 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 300 L C 1.992 178.665 176.870 -0.327 0.000 1.075 300 L CA 1.316 55.940 54.840 -0.360 0.000 0.747 300 L CB -0.225 41.450 42.059 -0.641 0.000 0.903 300 L HN -0.091 nan 8.230 nan 0.000 0.435 301 V N -0.499 119.183 119.914 -0.387 0.000 2.287 301 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 301 V C 2.484 178.542 176.094 -0.061 0.000 1.053 301 V CA 1.716 63.888 62.300 -0.213 0.000 1.027 301 V CB -0.935 30.786 31.823 -0.170 0.000 0.646 301 V HN 0.458 nan 8.190 nan 0.000 0.447 302 L N 0.509 121.686 121.223 -0.078 0.000 1.978 302 L HA -0.237 4.103 4.340 -0.000 0.000 0.218 302 L C 2.482 179.400 176.870 0.081 0.000 1.075 302 L CA 2.116 56.947 54.840 -0.015 0.000 0.767 302 L CB -1.081 40.953 42.059 -0.042 0.000 0.890 302 L HN 0.401 nan 8.230 nan 0.000 0.434 303 E N -0.697 119.523 120.200 0.033 0.000 2.097 303 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 303 E C 2.270 178.949 176.600 0.130 0.000 1.000 303 E CA 1.754 58.204 56.400 0.083 0.000 0.804 303 E CB -0.237 29.469 29.700 0.010 0.000 0.740 303 E HN 0.574 nan 8.360 nan 0.000 0.454 304 I N 0.058 120.674 120.570 0.078 0.000 2.142 304 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 304 I C 2.334 178.571 176.117 0.200 0.000 1.078 304 I CA 1.185 62.554 61.300 0.116 0.000 1.343 304 I CB -0.311 37.718 38.000 0.048 0.000 1.046 304 I HN 0.131 nan 8.210 nan 0.000 0.405 305 Y N 2.023 122.358 120.300 0.059 0.000 2.030 305 Y HA -0.382 4.168 4.550 -0.000 0.000 0.274 305 Y C 2.370 178.321 175.900 0.084 0.000 1.153 305 Y CA 2.182 60.322 58.100 0.067 0.000 1.115 305 Y CB -0.336 38.153 38.460 0.048 0.000 0.969 305 Y HN 0.233 nan 8.280 nan 0.000 0.488 306 D N -0.933 119.651 120.400 0.307 0.000 2.104 306 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 306 D C 1.985 178.342 176.300 0.095 0.000 0.994 306 D CA 1.819 55.948 54.000 0.215 0.000 0.830 306 D CB -1.158 39.800 40.800 0.263 0.000 0.959 306 D HN 0.462 nan 8.370 nan 0.000 0.452 307 Y N 1.863 122.137 120.300 -0.044 0.000 2.062 307 Y HA -0.288 4.262 4.550 0.000 0.000 0.276 307 Y C 2.461 178.213 175.900 -0.247 0.000 1.189 307 Y CA 1.952 59.893 58.100 -0.266 0.000 1.130 307 Y CB -0.262 38.126 38.460 -0.120 0.000 0.959 307 Y HN -0.154 nan 8.280 nan 0.000 0.499 308 R N -0.089 120.312 120.500 -0.164 0.000 2.115 308 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 308 R C 2.315 178.556 176.300 -0.098 0.000 1.111 308 R CA 1.560 57.540 56.100 -0.200 0.000 0.976 308 R CB -0.390 29.889 30.300 -0.035 0.000 0.870 308 R HN 0.482 nan 8.270 nan 0.000 0.445 309 I N 0.495 121.012 120.570 -0.088 0.000 2.127 309 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 309 I C 2.557 178.653 176.117 -0.034 0.000 1.075 309 I CA 1.520 62.807 61.300 -0.021 0.000 1.334 309 I CB -0.431 37.582 38.000 0.022 0.000 1.040 309 I HN 0.215 nan 8.210 nan 0.000 0.405 310 A N 0.560 123.301 122.820 -0.132 0.000 1.940 310 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 310 A C 2.311 179.760 177.584 -0.225 0.000 1.176 310 A CA 1.892 53.828 52.037 -0.168 0.000 0.631 310 A CB -0.518 18.236 19.000 -0.408 0.000 0.814 310 A HN 0.362 nan 8.150 nan 0.000 0.446 311 K N -1.967 118.196 120.400 -0.393 0.000 2.097 311 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 311 K C 1.834 178.211 176.600 -0.371 0.000 1.050 311 K CA 1.473 57.506 56.287 -0.423 0.000 0.938 311 K CB -0.294 31.842 32.500 -0.606 0.000 0.718 311 K HN 0.592 nan 8.250 nan 0.000 0.442 312 Y N 1.122 121.223 120.300 -0.332 0.000 2.200 312 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 312 Y C 2.002 177.664 175.900 -0.397 0.000 1.137 312 Y CA 1.179 59.005 58.100 -0.456 0.000 1.163 312 Y CB -0.175 38.025 38.460 -0.432 0.000 0.988 312 Y HN -0.036 nan 8.280 nan 0.000 0.518 313 I N -0.750 119.795 120.570 -0.042 0.000 2.151 313 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 313 I C 2.677 178.799 176.117 0.008 0.000 1.080 313 I CA 1.639 62.942 61.300 0.005 0.000 1.339 313 I CB -1.036 36.978 38.000 0.023 0.000 1.039 313 I HN 0.277 nan 8.210 nan 0.000 0.409 314 G N 0.406 109.203 108.800 -0.004 0.000 2.446 314 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 314 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 314 G C 1.867 176.767 174.900 -0.001 0.000 1.168 314 G CA 0.930 46.062 45.100 0.053 0.000 0.771 314 G HN 0.512 nan 8.290 nan 0.000 0.551 315 A N -0.049 122.695 122.820 -0.127 0.000 1.908 315 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 315 A C 2.299 179.923 177.584 0.065 0.000 1.181 315 A CA 1.692 53.650 52.037 -0.131 0.000 0.627 315 A CB -0.594 18.187 19.000 -0.365 0.000 0.818 315 A HN 0.382 nan 8.150 nan 0.000 0.445 316 Y N -0.447 119.852 120.300 -0.001 0.000 2.337 316 Y HA 0.124 4.674 4.550 0.000 0.000 0.293 316 Y C 2.902 178.787 175.900 -0.025 0.000 1.123 316 Y CA -0.127 57.971 58.100 -0.003 0.000 1.201 316 Y CB -1.198 37.274 38.460 0.020 0.000 1.011 316 Y HN 0.342 nan 8.280 nan 0.000 0.545 317 A N 0.363 123.265 122.820 0.137 0.000 1.917 317 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 317 A C 2.548 180.158 177.584 0.042 0.000 1.182 317 A CA 2.247 54.318 52.037 0.056 0.000 0.633 317 A CB -1.112 17.908 19.000 0.033 0.000 0.819 317 A HN 0.363 nan 8.150 nan 0.000 0.448 318 A N -0.344 122.512 122.820 0.058 0.000 1.898 318 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 318 A C 2.511 180.111 177.584 0.027 0.000 1.181 318 A CA 2.009 54.070 52.037 0.040 0.000 0.620 318 A CB -1.025 17.997 19.000 0.037 0.000 0.819 318 A HN 1.122 nan 8.150 nan 0.000 0.442 319 A N -0.709 122.142 122.820 0.052 0.000 1.940 319 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 319 A C 2.114 179.674 177.584 -0.040 0.000 1.176 319 A CA 1.934 53.980 52.037 0.014 0.000 0.631 319 A CB -0.455 18.566 19.000 0.036 0.000 0.814 319 A HN 0.521 nan 8.150 nan 0.000 0.446 320 M N -1.691 117.880 119.600 -0.049 0.000 2.495 320 M HA 0.126 4.606 4.480 -0.000 0.000 0.237 320 M C 0.644 176.893 176.300 -0.085 0.000 1.131 320 M CA 0.283 55.519 55.300 -0.107 0.000 1.032 320 M CB 0.222 32.735 32.600 -0.146 0.000 1.513 320 M HN 0.459 nan 8.290 nan 0.000 0.488 321 N N 1.588 120.264 118.700 -0.039 0.000 2.740 321 N HA -0.119 4.621 4.740 -0.000 0.000 0.248 321 N C -0.556 174.941 175.510 -0.022 0.000 1.062 321 N CA 1.142 54.181 53.050 -0.019 0.000 0.704 321 N CB -0.945 37.534 38.487 -0.013 0.000 0.968 321 N HN 0.668 nan 8.380 nan 0.000 0.547 322 G N -2.468 106.315 108.800 -0.029 0.000 2.352 322 G HA2 0.424 4.384 3.960 -0.000 0.000 0.305 322 G HA3 0.424 4.384 3.960 -0.000 0.000 0.305 322 G C -1.559 173.316 174.900 -0.042 0.000 1.537 322 G CA -0.308 44.774 45.100 -0.031 0.000 0.959 322 G HN 0.791 nan 8.290 nan 0.000 0.668 323 V N 0.590 120.480 119.914 -0.040 0.000 2.656 323 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 323 V C -0.260 175.816 176.094 -0.030 0.000 1.051 323 V CA -0.704 61.573 62.300 -0.039 0.000 0.893 323 V CB 2.011 33.808 31.823 -0.043 0.000 0.999 323 V HN 0.778 nan 8.190 nan 0.000 0.426 324 D N 1.989 122.377 120.400 -0.020 0.000 2.379 324 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 324 D C 0.534 176.829 176.300 -0.009 0.000 1.006 324 D CA 1.108 55.105 54.000 -0.005 0.000 0.893 324 D CB 1.557 42.367 40.800 0.016 0.000 1.019 324 D HN 0.726 nan 8.370 nan 0.000 0.503 325 A N 0.297 123.108 122.820 -0.015 0.000 2.594 325 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 325 A C -1.523 176.038 177.584 -0.039 0.000 1.071 325 A CA -0.555 51.471 52.037 -0.019 0.000 0.685 325 A CB 1.318 20.312 19.000 -0.009 0.000 1.285 325 A HN 0.003 nan 8.150 nan 0.000 0.405 326 I N 1.226 121.759 120.570 -0.062 0.000 2.465 326 I HA 0.528 4.698 4.170 -0.000 0.000 0.291 326 I C -0.881 175.122 176.117 -0.189 0.000 1.014 326 I CA -1.007 60.206 61.300 -0.144 0.000 1.093 326 I CB 2.147 40.034 38.000 -0.189 0.000 1.267 326 I HN 0.336 nan 8.210 nan 0.000 0.431 327 V N 6.038 125.818 119.914 -0.224 0.000 2.448 327 V HA 0.436 4.556 4.120 -0.000 0.000 0.295 327 V C -0.620 175.314 176.094 -0.267 0.000 1.025 327 V CA -0.603 61.603 62.300 -0.158 0.000 0.859 327 V CB 1.490 33.286 31.823 -0.045 0.000 0.988 327 V HN 0.353 nan 8.190 nan 0.000 0.431 328 F N 2.532 122.508 119.950 0.043 0.000 2.421 328 F HA 0.754 5.281 4.527 -0.000 0.000 0.337 328 F C 0.598 176.405 175.800 0.011 0.000 1.105 328 F CA -0.026 57.995 58.000 0.035 0.000 1.049 328 F CB 2.058 41.078 39.000 0.033 0.000 1.139 328 F HN 0.531 nan 8.300 nan 0.000 0.479 329 T N 1.421 116.074 114.554 0.165 0.000 2.762 329 T HA 0.733 5.083 4.350 -0.000 0.000 0.301 329 T C -0.995 173.636 174.700 -0.115 0.000 1.299 329 T CA 0.218 62.343 62.100 0.041 0.000 1.005 329 T CB 1.103 69.998 68.868 0.044 0.000 1.377 329 T HN 1.524 nan 8.240 nan 0.000 0.504 330 A N -0.444 122.267 122.820 -0.182 0.000 3.682 330 A HA 0.204 4.524 4.320 -0.000 0.000 0.628 330 A C 1.403 178.888 177.584 -0.165 0.000 0.718 330 A CA 0.815 52.653 52.037 -0.333 0.000 0.282 330 A CB -1.919 16.506 19.000 -0.958 0.000 3.621 330 A HN 2.210 nan 8.150 nan 0.000 0.523 331 G N -1.202 107.514 108.800 -0.140 0.000 2.759 331 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.224 331 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.224 331 G C 1.529 176.404 174.900 -0.042 0.000 1.173 331 G CA 2.930 47.990 45.100 -0.066 0.000 0.770 331 G HN 1.816 nan 8.290 nan 0.000 0.626 332 V N 1.012 120.910 119.914 -0.027 0.000 2.426 332 V HA 0.114 4.234 4.120 -0.000 0.000 0.242 332 V C 3.145 179.241 176.094 0.003 0.000 1.036 332 V CA 1.625 63.927 62.300 0.004 0.000 1.044 332 V CB -0.952 30.915 31.823 0.074 0.000 0.688 332 V HN 0.492 nan 8.190 nan 0.000 0.462 333 G N 0.034 108.852 108.800 0.029 0.000 2.475 333 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 333 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 333 G C 1.395 176.320 174.900 0.041 0.000 1.125 333 G CA 1.112 46.262 45.100 0.082 0.000 0.755 333 G HN 0.612 nan 8.290 nan 0.000 0.565 334 E N -0.177 120.030 120.200 0.011 0.000 2.318 334 E HA 0.056 4.406 4.350 -0.000 0.000 0.193 334 E C 1.276 177.869 176.600 -0.012 0.000 0.998 334 E CA 0.284 56.690 56.400 0.009 0.000 0.859 334 E CB 0.214 29.916 29.700 0.003 0.000 0.812 334 E HN 0.335 nan 8.360 nan 0.000 0.492 335 N N -0.262 118.422 118.700 -0.027 0.000 2.143 335 N HA 0.014 4.754 4.740 -0.000 0.000 0.222 335 N C -0.382 175.102 175.510 -0.042 0.000 1.264 335 N CA 0.158 53.190 53.050 -0.031 0.000 0.897 335 N CB 1.579 40.050 38.487 -0.026 0.000 1.092 335 N HN -0.148 nan 8.380 nan 0.000 0.516 336 S N 2.016 117.680 115.700 -0.060 0.000 2.516 336 S HA 0.394 4.864 4.470 -0.000 0.000 0.268 336 S C -2.013 172.526 174.600 -0.102 0.000 1.251 336 S CA -1.555 56.603 58.200 -0.070 0.000 1.153 336 S CB 1.158 64.320 63.200 -0.063 0.000 1.009 336 S HN -0.132 nan 8.310 nan 0.000 0.479 337 P HA 0.006 nan 4.420 nan 0.000 0.220 337 P C 1.236 178.486 177.300 -0.084 0.000 1.148 337 P CA 0.731 63.779 63.100 -0.087 0.000 0.803 337 P CB 0.103 31.773 31.700 -0.051 0.000 0.782 338 I N -1.193 119.341 120.570 -0.061 0.000 2.179 338 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 338 I C 2.114 178.208 176.117 -0.039 0.000 1.088 338 I CA 1.631 62.907 61.300 -0.041 0.000 1.357 338 I CB -1.156 36.827 38.000 -0.029 0.000 1.051 338 I HN -0.020 nan 8.210 nan 0.000 0.409 339 T N 0.493 115.015 114.554 -0.053 0.000 2.708 339 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 339 T C 2.035 176.665 174.700 -0.118 0.000 1.037 339 T CA 1.249 63.333 62.100 -0.027 0.000 1.146 339 T CB -0.200 68.673 68.868 0.008 0.000 0.865 339 T HN 0.275 nan 8.240 nan 0.000 0.435 340 R N 0.763 121.079 120.500 -0.308 0.000 2.091 340 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 340 R C 2.570 178.757 176.300 -0.188 0.000 1.136 340 R CA 1.139 56.897 56.100 -0.569 0.000 0.959 340 R CB -0.211 29.692 30.300 -0.663 0.000 0.856 340 R HN 0.380 nan 8.270 nan 0.000 0.437 341 E N 1.134 121.282 120.200 -0.087 0.000 2.047 341 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 341 E C 1.403 178.033 176.600 0.051 0.000 0.987 341 E CA 1.424 57.821 56.400 -0.005 0.000 0.799 341 E CB -0.053 29.639 29.700 -0.012 0.000 0.752 341 E HN 0.155 nan 8.360 nan 0.000 0.449 342 D N -0.245 120.193 120.400 0.064 0.000 2.097 342 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 342 D C 2.078 178.547 176.300 0.281 0.000 0.989 342 D CA 1.432 55.513 54.000 0.135 0.000 0.827 342 D CB 0.036 40.925 40.800 0.148 0.000 0.966 342 D HN 0.022 nan 8.370 nan 0.000 0.456 343 V N -0.155 119.919 119.914 0.267 0.000 2.332 343 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 343 V C 2.624 178.955 176.094 0.396 0.000 1.055 343 V CA 1.618 64.129 62.300 0.352 0.000 1.038 343 V CB -0.461 31.549 31.823 0.312 0.000 0.651 343 V HN 0.449 nan 8.190 nan 0.000 0.450 344 C N 0.635 120.107 119.300 0.287 0.000 2.456 344 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 344 C C 3.124 178.235 174.990 0.202 0.000 1.427 344 C CA 0.873 60.038 59.018 0.245 0.000 1.778 344 C CB -1.270 26.585 27.740 0.192 0.000 1.842 344 C HN 0.784 nan 8.230 nan 0.000 0.531 345 S N -0.037 115.758 115.700 0.158 0.000 2.419 345 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 345 S C 1.345 175.967 174.600 0.037 0.000 1.016 345 S CA 1.216 59.435 58.200 0.033 0.000 0.974 345 S CB -0.831 62.312 63.200 -0.096 0.000 0.786 345 S HN 0.692 nan 8.310 nan 0.000 0.492 346 Y N 1.265 121.658 120.300 0.155 0.000 2.578 346 Y HA 0.363 4.913 4.550 -0.000 0.000 0.297 346 Y C 1.515 177.606 175.900 0.319 0.000 1.176 346 Y CA 0.299 58.514 58.100 0.192 0.000 1.315 346 Y CB -0.147 38.419 38.460 0.177 0.000 1.031 346 Y HN 0.264 nan 8.280 nan 0.000 0.524 347 L N -0.142 121.316 121.223 0.391 0.000 2.959 347 L HA 0.120 4.460 4.340 -0.000 0.000 0.259 347 L C 1.696 178.626 176.870 0.099 0.000 1.185 347 L CA 0.070 55.076 54.840 0.276 0.000 0.998 347 L CB 0.046 42.197 42.059 0.153 0.000 1.337 347 L HN 0.266 nan 8.230 nan 0.000 0.555 348 E N 1.088 121.399 120.200 0.185 0.000 2.274 348 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 348 E C 1.923 178.577 176.600 0.091 0.000 0.996 348 E CA 0.926 57.385 56.400 0.097 0.000 0.840 348 E CB -0.359 29.397 29.700 0.094 0.000 0.772 348 E HN 0.617 nan 8.360 nan 0.000 0.491 349 F N 0.724 120.700 119.950 0.043 0.000 2.408 349 F HA 0.055 4.582 4.527 0.000 0.000 0.300 349 F C 1.663 177.483 175.800 0.033 0.000 1.090 349 F CA 0.577 58.598 58.000 0.035 0.000 1.427 349 F CB -0.128 38.895 39.000 0.039 0.000 1.070 349 F HN -0.100 nan 8.300 nan 0.000 0.549 350 L N 0.600 121.362 121.223 -0.768 0.000 2.567 350 L HA 0.360 4.699 4.340 -0.000 0.000 0.225 350 L C 1.621 178.345 176.870 -0.244 0.000 1.119 350 L CA 0.606 55.084 54.840 -0.603 0.000 0.871 350 L CB -0.302 41.349 42.059 -0.679 0.000 1.036 350 L HN 0.528 nan 8.230 nan 0.000 0.459 351 G N 0.425 109.138 108.800 -0.145 0.000 2.131 351 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.201 351 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.201 351 G C -0.000 174.875 174.900 -0.041 0.000 1.000 351 G CA -0.205 44.858 45.100 -0.063 0.000 0.680 351 G HN 0.051 nan 8.290 nan 0.000 0.514 352 V N 0.953 120.842 119.914 -0.042 0.000 2.408 352 V HA 0.516 4.636 4.120 -0.000 0.000 0.267 352 V C 0.486 176.597 176.094 0.028 0.000 1.047 352 V CA 0.097 62.396 62.300 -0.001 0.000 0.937 352 V CB 1.252 33.082 31.823 0.013 0.000 0.999 352 V HN 0.321 nan 8.190 nan 0.000 0.472 353 K N 4.784 125.202 120.400 0.030 0.000 2.397 353 K HA 0.603 4.923 4.320 -0.000 0.000 0.253 353 K C -1.376 175.249 176.600 0.041 0.000 0.932 353 K CA -0.888 55.420 56.287 0.035 0.000 0.795 353 K CB 2.339 34.854 32.500 0.025 0.000 1.159 353 K HN 0.315 nan 8.250 nan 0.000 0.424 354 L N 1.643 122.893 121.223 0.044 0.000 2.379 354 L HA 0.243 4.583 4.340 -0.000 0.000 0.269 354 L C -0.145 176.743 176.870 0.030 0.000 1.084 354 L CA -0.073 54.793 54.840 0.044 0.000 0.802 354 L CB 0.946 43.034 42.059 0.047 0.000 1.175 354 L HN 0.534 nan 8.230 nan 0.000 0.448 355 D N 1.262 121.679 120.400 0.028 0.000 2.443 355 D HA 0.165 4.805 4.640 -0.000 0.000 0.221 355 D C 0.873 177.182 176.300 0.015 0.000 1.097 355 D CA -0.124 53.888 54.000 0.019 0.000 0.865 355 D CB 0.731 41.542 40.800 0.019 0.000 1.034 355 D HN 0.386 nan 8.370 nan 0.000 0.511 356 K N 1.961 122.367 120.400 0.011 0.000 2.089 356 K HA -0.274 4.046 4.320 -0.000 0.000 0.210 356 K C 1.768 178.370 176.600 0.003 0.000 1.048 356 K CA 1.726 58.016 56.287 0.005 0.000 0.926 356 K CB 0.168 32.670 32.500 0.003 0.000 0.714 356 K HN 0.569 nan 8.250 nan 0.000 0.448 357 Q N 0.559 120.362 119.800 0.005 0.000 2.030 357 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 357 Q C 2.059 178.062 176.000 0.005 0.000 0.986 357 Q CA 1.484 57.290 55.803 0.004 0.000 0.843 357 Q CB -0.169 28.572 28.738 0.005 0.000 0.904 357 Q HN 0.236 nan 8.270 nan 0.000 0.420 358 K N 0.684 121.089 120.400 0.009 0.000 2.147 358 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 358 K C 1.846 178.452 176.600 0.010 0.000 1.049 358 K CA 1.103 57.396 56.287 0.011 0.000 0.936 358 K CB -0.175 32.335 32.500 0.017 0.000 0.722 358 K HN 0.271 nan 8.250 nan 0.000 0.446 359 N N 0.875 119.580 118.700 0.007 0.000 2.142 359 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 359 N C 1.354 176.857 175.510 -0.012 0.000 1.023 359 N CA 0.969 54.017 53.050 -0.002 0.000 0.852 359 N CB 0.208 38.691 38.487 -0.007 0.000 0.998 359 N HN 0.226 nan 8.380 nan 0.000 0.424 360 E N 0.184 120.378 120.200 -0.010 0.000 2.216 360 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 360 E C 1.550 178.145 176.600 -0.009 0.000 0.988 360 E CA 0.539 56.931 56.400 -0.012 0.000 0.834 360 E CB 0.130 29.824 29.700 -0.010 0.000 0.772 360 E HN 0.436 nan 8.360 nan 0.000 0.479 361 E N 0.461 120.658 120.200 -0.004 0.000 2.072 361 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 361 E C 0.566 177.166 176.600 0.000 0.000 0.982 361 E CA 1.140 57.539 56.400 -0.001 0.000 0.803 361 E CB 0.167 29.869 29.700 0.003 0.000 0.755 361 E HN 0.155 nan 8.360 nan 0.000 0.453 362 T N 0.528 115.083 114.554 0.002 0.000 3.781 362 T HA 0.387 4.737 4.350 -0.000 0.000 0.286 362 T C 0.013 174.713 174.700 0.001 0.000 1.277 362 T CA 0.020 62.124 62.100 0.007 0.000 1.136 362 T CB -0.247 68.631 68.868 0.017 0.000 1.202 362 T HN 0.001 nan 8.240 nan 0.000 0.884 363 I N 1.005 121.574 120.570 -0.002 0.000 3.042 363 I HA 0.521 4.691 4.170 -0.000 0.000 0.310 363 I C 0.629 176.743 176.117 -0.005 0.000 1.117 363 I CA -1.812 59.483 61.300 -0.008 0.000 1.003 363 I CB 1.974 39.967 38.000 -0.012 0.000 1.228 363 I HN 0.524 nan 8.210 nan 0.000 0.443 364 R N 3.519 124.014 120.500 -0.008 0.000 3.405 364 R HA -0.231 4.109 4.340 -0.000 0.000 0.258 364 R C 0.523 176.821 176.300 -0.003 0.000 1.030 364 R CA 1.022 57.118 56.100 -0.008 0.000 0.691 364 R CB -1.641 28.654 30.300 -0.009 0.000 1.093 364 R HN 1.312 nan 8.270 nan 0.000 0.448 365 G N -0.996 107.805 108.800 0.002 0.000 2.218 365 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 365 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 365 G C 0.135 175.044 174.900 0.015 0.000 0.994 365 G CA 0.232 45.336 45.100 0.008 0.000 0.637 365 G HN 0.401 nan 8.290 nan 0.000 0.505 366 K N 1.157 121.564 120.400 0.012 0.000 2.276 366 K HA 0.450 4.770 4.320 -0.000 0.000 0.259 366 K C 0.447 177.061 176.600 0.023 0.000 1.001 366 K CA 0.684 56.980 56.287 0.016 0.000 0.927 366 K CB 0.462 32.969 32.500 0.011 0.000 0.969 366 K HN 0.629 nan 8.250 nan 0.000 0.490 367 E N -0.218 119.996 120.200 0.024 0.000 2.340 367 E HA 0.661 5.011 4.350 -0.000 0.000 0.273 367 E C -0.601 176.013 176.600 0.023 0.000 0.891 367 E CA -1.065 55.351 56.400 0.028 0.000 0.757 367 E CB 2.095 31.812 29.700 0.028 0.000 1.231 367 E HN 0.659 nan 8.360 nan 0.000 0.439 368 G N 1.613 110.429 108.800 0.027 0.000 2.321 368 G HA2 0.271 4.231 3.960 -0.000 0.000 0.296 368 G HA3 0.271 4.231 3.960 -0.000 0.000 0.296 368 G C -1.351 173.569 174.900 0.033 0.000 1.287 368 G CA -1.001 44.114 45.100 0.024 0.000 0.846 368 G HN 0.528 nan 8.290 nan 0.000 0.508 369 I N 0.809 121.397 120.570 0.030 0.000 2.472 369 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 369 I C 0.933 177.076 176.117 0.042 0.000 1.016 369 I CA -0.442 60.879 61.300 0.036 0.000 1.348 369 I CB 1.396 39.412 38.000 0.026 0.000 1.417 369 I HN 0.490 nan 8.210 nan 0.000 0.521 370 I N 1.569 122.175 120.570 0.058 0.000 4.288 370 I HA 0.094 4.264 4.170 -0.000 0.000 0.331 370 I C 0.841 176.990 176.117 0.053 0.000 1.322 370 I CA -0.112 61.222 61.300 0.057 0.000 1.149 370 I CB -0.111 37.932 38.000 0.071 0.000 1.112 370 I HN 0.512 nan 8.210 nan 0.000 0.403 371 S N 2.036 117.768 115.700 0.054 0.000 2.572 371 S HA 0.219 4.689 4.470 -0.000 0.000 0.279 371 S C 0.659 175.278 174.600 0.031 0.000 1.341 371 S CA -0.378 57.849 58.200 0.044 0.000 1.043 371 S CB 0.255 63.478 63.200 0.039 0.000 0.887 371 S HN 0.405 nan 8.310 nan 0.000 0.516 372 T N -0.375 114.194 114.554 0.026 0.000 2.926 372 T HA 0.256 4.606 4.350 -0.000 0.000 0.307 372 T C -1.648 173.062 174.700 0.016 0.000 1.059 372 T CA -1.384 60.728 62.100 0.020 0.000 1.122 372 T CB -0.058 68.820 68.868 0.018 0.000 0.972 372 T HN 0.390 nan 8.240 nan 0.000 0.545 373 P HA -0.245 nan 4.420 nan 0.000 0.222 373 P C 1.256 178.562 177.300 0.010 0.000 1.157 373 P CA 1.821 64.928 63.100 0.011 0.000 0.905 373 P CB -0.059 31.647 31.700 0.010 0.000 0.792 374 D N -1.761 118.645 120.400 0.010 0.000 2.347 374 D HA -0.029 4.611 4.640 -0.000 0.000 0.213 374 D C 0.596 176.901 176.300 0.007 0.000 0.985 374 D CA 0.160 54.165 54.000 0.008 0.000 0.879 374 D CB -0.377 40.428 40.800 0.008 0.000 0.919 374 D HN 0.082 nan 8.370 nan 0.000 0.526 375 S N 0.532 116.238 115.700 0.009 0.000 2.544 375 S HA 0.007 4.477 4.470 -0.000 0.000 0.290 375 S C 1.129 175.730 174.600 0.001 0.000 1.276 375 S CA -0.409 57.795 58.200 0.007 0.000 1.075 375 S CB 0.777 63.985 63.200 0.014 0.000 0.849 375 S HN 0.135 nan 8.310 nan 0.000 0.494 376 R N 2.838 123.333 120.500 -0.008 0.000 2.193 376 R HA 0.111 4.451 4.340 -0.000 0.000 0.213 376 R C -0.099 176.190 176.300 -0.019 0.000 1.055 376 R CA 0.609 56.701 56.100 -0.014 0.000 0.995 376 R CB 0.166 30.452 30.300 -0.022 0.000 0.893 376 R HN 0.461 nan 8.270 nan 0.000 0.459 377 V N 2.251 122.152 119.914 -0.023 0.000 2.448 377 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 377 V C -0.331 175.760 176.094 -0.004 0.000 1.025 377 V CA -1.010 61.277 62.300 -0.022 0.000 0.859 377 V CB 1.830 33.627 31.823 -0.044 0.000 0.988 377 V HN 0.072 nan 8.190 nan 0.000 0.431 378 K N 3.545 123.945 120.400 0.001 0.000 2.249 378 K HA 0.588 4.908 4.320 -0.000 0.000 0.280 378 K C -0.881 175.730 176.600 0.018 0.000 1.033 378 K CA -0.414 55.880 56.287 0.012 0.000 0.946 378 K CB 1.948 34.454 32.500 0.011 0.000 1.005 378 K HN 0.400 nan 8.250 nan 0.000 0.469 379 V N 4.570 124.510 119.914 0.044 0.000 2.448 379 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 379 V C -0.555 175.595 176.094 0.092 0.000 1.025 379 V CA -0.962 61.383 62.300 0.076 0.000 0.859 379 V CB 1.253 33.165 31.823 0.149 0.000 0.988 379 V HN 0.542 nan 8.190 nan 0.000 0.431 380 L N 4.805 126.081 121.223 0.088 0.000 2.370 380 L HA 0.697 5.037 4.340 -0.000 0.000 0.266 380 L C -0.452 176.502 176.870 0.140 0.000 1.002 380 L CA -0.680 54.212 54.840 0.085 0.000 0.818 380 L CB 2.209 44.288 42.059 0.034 0.000 1.325 380 L HN 0.348 nan 8.230 nan 0.000 0.418 381 V N 2.708 122.694 119.914 0.120 0.000 2.328 381 V HA 0.455 4.575 4.120 -0.000 0.000 0.278 381 V C -0.425 175.712 176.094 0.071 0.000 1.021 381 V CA -0.560 61.816 62.300 0.127 0.000 0.838 381 V CB 1.580 33.462 31.823 0.098 0.000 0.999 381 V HN 0.458 nan 8.190 nan 0.000 0.447 382 V N 7.965 127.916 119.914 0.063 0.000 2.289 382 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 382 V C -2.251 173.878 176.094 0.058 0.000 1.026 382 V CA -1.863 60.454 62.300 0.028 0.000 0.807 382 V CB 1.691 33.494 31.823 -0.033 0.000 1.044 382 V HN 0.693 nan 8.190 nan 0.000 0.443 383 P HA 0.003 nan 4.420 nan 0.000 0.261 383 P C 0.267 177.664 177.300 0.162 0.000 1.183 383 P CA 0.642 63.792 63.100 0.084 0.000 0.761 383 P CB 0.543 32.282 31.700 0.065 0.000 0.785 384 T N 2.798 117.439 114.554 0.145 0.000 2.899 384 T HA 0.180 4.530 4.350 -0.000 0.000 0.295 384 T C 0.264 175.017 174.700 0.089 0.000 1.033 384 T CA -0.147 62.088 62.100 0.226 0.000 1.084 384 T CB -0.306 68.665 68.868 0.172 0.000 0.979 384 T HN 0.346 nan 8.240 nan 0.000 0.532 385 N N 2.466 121.097 118.700 -0.115 0.000 2.716 385 N HA 0.167 4.907 4.740 -0.000 0.000 0.245 385 N C 0.577 175.799 175.510 -0.480 0.000 1.495 385 N CA -0.310 52.544 53.050 -0.327 0.000 0.759 385 N CB 0.659 38.922 38.487 -0.373 0.000 1.261 385 N HN 0.721 nan 8.380 nan 0.000 0.515 386 E N 0.060 120.118 120.200 -0.237 0.000 2.153 386 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 386 E C 0.558 177.044 176.600 -0.191 0.000 0.988 386 E CA 1.276 57.561 56.400 -0.192 0.000 0.811 386 E CB 0.409 30.060 29.700 -0.082 0.000 0.746 386 E HN 0.491 nan 8.360 nan 0.000 0.466 387 E N 0.769 120.866 120.200 -0.170 0.000 2.028 387 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 387 E C 1.920 178.425 176.600 -0.157 0.000 0.988 387 E CA 0.542 56.861 56.400 -0.135 0.000 0.799 387 E CB -0.228 29.410 29.700 -0.104 0.000 0.755 387 E HN 0.092 nan 8.360 nan 0.000 0.447 388 L N 0.246 121.344 121.223 -0.208 0.000 2.079 388 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 388 L C 2.172 178.924 176.870 -0.196 0.000 1.081 388 L CA 1.723 56.445 54.840 -0.197 0.000 0.752 388 L CB -0.442 41.476 42.059 -0.235 0.000 0.896 388 L HN 0.211 nan 8.230 nan 0.000 0.433 389 M N -0.449 118.979 119.600 -0.287 0.000 2.108 389 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 389 M C 2.093 178.330 176.300 -0.104 0.000 1.066 389 M CA 1.881 57.075 55.300 -0.176 0.000 1.107 389 M CB -0.593 31.897 32.600 -0.183 0.000 1.356 389 M HN 0.325 nan 8.290 nan 0.000 0.406 390 I N -0.184 120.317 120.570 -0.114 0.000 2.142 390 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 390 I C 2.399 178.469 176.117 -0.078 0.000 1.078 390 I CA 1.257 62.502 61.300 -0.093 0.000 1.343 390 I CB -0.846 37.092 38.000 -0.103 0.000 1.046 390 I HN 0.401 nan 8.210 nan 0.000 0.405 391 A N 0.719 123.490 122.820 -0.081 0.000 1.948 391 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 391 A C 2.392 179.950 177.584 -0.043 0.000 1.177 391 A CA 1.746 53.746 52.037 -0.062 0.000 0.636 391 A CB -0.640 18.324 19.000 -0.060 0.000 0.815 391 A HN 0.348 nan 8.150 nan 0.000 0.449 392 R N -0.867 119.609 120.500 -0.041 0.000 2.090 392 R HA -0.094 4.246 4.340 -0.000 0.000 0.228 392 R C 1.479 177.772 176.300 -0.011 0.000 1.110 392 R CA 1.411 57.500 56.100 -0.018 0.000 0.973 392 R CB -0.296 30.000 30.300 -0.006 0.000 0.869 392 R HN 0.476 nan 8.270 nan 0.000 0.440 393 D N -0.633 119.756 120.400 -0.018 0.000 2.149 393 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 393 D C 1.716 178.010 176.300 -0.009 0.000 0.972 393 D CA 1.279 55.274 54.000 -0.007 0.000 0.835 393 D CB -0.164 40.630 40.800 -0.011 0.000 0.966 393 D HN 0.086 nan 8.370 nan 0.000 0.476 394 T N 0.558 115.097 114.554 -0.024 0.000 2.684 394 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 394 T C 1.815 176.508 174.700 -0.012 0.000 1.036 394 T CA 1.582 63.668 62.100 -0.023 0.000 1.148 394 T CB -0.190 68.654 68.868 -0.040 0.000 0.863 394 T HN 0.151 nan 8.240 nan 0.000 0.436 395 K N 1.224 121.617 120.400 -0.013 0.000 2.020 395 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 395 K C 2.263 178.864 176.600 0.002 0.000 1.050 395 K CA 1.785 58.069 56.287 -0.006 0.000 0.929 395 K CB -0.115 32.381 32.500 -0.006 0.000 0.714 395 K HN 0.403 nan 8.250 nan 0.000 0.443 396 E N 0.309 120.513 120.200 0.006 0.000 2.038 396 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 396 E C 2.185 178.794 176.600 0.016 0.000 1.000 396 E CA 1.776 58.184 56.400 0.013 0.000 0.803 396 E CB -0.214 29.497 29.700 0.017 0.000 0.750 396 E HN 0.395 nan 8.360 nan 0.000 0.448 397 I N 0.755 121.335 120.570 0.017 0.000 2.179 397 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 397 I C 2.492 178.620 176.117 0.018 0.000 1.088 397 I CA 0.839 62.152 61.300 0.022 0.000 1.357 397 I CB -0.323 37.692 38.000 0.025 0.000 1.051 397 I HN -0.020 nan 8.210 nan 0.000 0.409 398 V N 0.513 120.434 119.914 0.011 0.000 2.332 398 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 398 V C 0.847 176.947 176.094 0.009 0.000 1.055 398 V CA 1.413 63.718 62.300 0.009 0.000 1.038 398 V CB -0.736 31.088 31.823 0.003 0.000 0.651 398 V HN 0.420 nan 8.190 nan 0.000 0.450 399 E N 1.025 121.230 120.200 0.009 0.000 2.037 399 E HA 0.283 4.633 4.350 -0.000 0.000 0.253 399 E C 0.015 176.623 176.600 0.012 0.000 1.265 399 E CA 0.345 56.751 56.400 0.009 0.000 0.972 399 E CB 0.023 29.728 29.700 0.009 0.000 1.054 399 E HN 0.393 nan 8.360 nan 0.000 0.432 400 K N 0.000 120.407 120.400 0.012 0.000 2.780 400 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 400 K CA 0.000 56.295 56.287 0.014 0.000 0.838 400 K CB 0.000 32.511 32.500 0.018 0.000 1.064 400 K HN 0.000 nan 8.250 nan 0.000 0.543