REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c7c_1_K DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.575 177.584 -0.015 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 4 K N 0.895 121.291 120.400 -0.007 0.000 2.238 4 K HA 0.693 5.014 4.320 0.001 0.000 0.239 4 K C -1.155 175.444 176.600 -0.002 0.000 0.987 4 K CA -0.559 55.722 56.287 -0.009 0.000 0.857 4 K CB 2.115 34.620 32.500 0.008 0.000 1.154 4 K HN 0.815 nan 8.250 nan 0.000 0.439 5 D N -0.072 120.324 120.400 -0.006 0.000 2.299 5 D HA 0.547 5.188 4.640 0.001 0.000 0.243 5 D C -1.413 174.989 176.300 0.170 0.000 0.982 5 D CA -0.708 53.328 54.000 0.060 0.000 0.924 5 D CB 1.501 42.317 40.800 0.027 0.000 1.238 5 D HN 0.091 nan 8.370 nan 0.000 0.484 6 V N 2.588 122.583 119.914 0.135 0.000 2.711 6 V HA 0.455 4.576 4.120 0.001 0.000 0.304 6 V C -0.461 175.398 176.094 -0.390 0.000 1.097 6 V CA -0.809 61.443 62.300 -0.079 0.000 0.906 6 V CB 1.912 33.630 31.823 -0.174 0.000 1.015 6 V HN 0.519 nan 8.190 nan 0.000 0.427 7 K N 3.469 123.459 120.400 -0.684 0.000 2.482 7 K HA 0.822 5.142 4.320 0.001 0.000 0.257 7 K C -1.753 174.371 176.600 -0.793 0.000 0.969 7 K CA -0.670 55.159 56.287 -0.764 0.000 0.842 7 K CB 2.896 35.127 32.500 -0.449 0.000 1.359 7 K HN 0.439 nan 8.250 nan 0.000 0.441 8 F N -0.476 119.387 119.950 -0.145 0.000 2.611 8 F HA 0.529 5.056 4.527 0.000 0.000 0.324 8 F C 1.158 176.903 175.800 -0.092 0.000 1.061 8 F CA -0.170 57.770 58.000 -0.101 0.000 0.954 8 F CB 1.316 40.281 39.000 -0.059 0.000 1.301 8 F HN 0.807 nan 8.300 nan 0.000 0.482 9 G N 1.515 110.390 108.800 0.125 0.000 2.622 9 G HA2 -0.483 3.477 3.960 0.001 0.000 0.307 9 G HA3 -0.483 3.477 3.960 0.001 0.000 0.307 9 G C 0.941 175.855 174.900 0.024 0.000 1.226 9 G CA 1.121 46.260 45.100 0.065 0.000 0.997 9 G HN 0.863 nan 8.290 nan 0.000 0.551 10 N N 0.945 119.659 118.700 0.023 0.000 2.120 10 N HA -0.027 4.714 4.740 0.001 0.000 0.188 10 N C 1.810 177.321 175.510 0.002 0.000 1.024 10 N CA 2.343 55.399 53.050 0.010 0.000 0.852 10 N CB -0.355 38.139 38.487 0.011 0.000 1.003 10 N HN 0.588 nan 8.380 nan 0.000 0.424 11 D N -0.250 120.157 120.400 0.011 0.000 2.123 11 D HA -0.101 4.540 4.640 0.001 0.000 0.196 11 D C 1.874 178.134 176.300 -0.066 0.000 0.992 11 D CA 1.483 55.481 54.000 -0.004 0.000 0.833 11 D CB -0.392 40.424 40.800 0.027 0.000 0.954 11 D HN 0.421 nan 8.370 nan 0.000 0.455 12 A N 0.764 123.517 122.820 -0.112 0.000 1.883 12 A HA -0.206 4.115 4.320 0.001 0.000 0.217 12 A C 2.122 179.644 177.584 -0.104 0.000 1.186 12 A CA 1.431 53.354 52.037 -0.190 0.000 0.624 12 A CB -0.458 18.427 19.000 -0.193 0.000 0.822 12 A HN 0.090 nan 8.150 nan 0.000 0.444 13 R N -0.806 119.662 120.500 -0.053 0.000 2.092 13 R HA -0.059 4.282 4.340 0.001 0.000 0.231 13 R C 2.020 178.311 176.300 -0.015 0.000 1.119 13 R CA 1.303 57.387 56.100 -0.027 0.000 0.970 13 R CB -0.491 29.801 30.300 -0.013 0.000 0.864 13 R HN 0.405 nan 8.270 nan 0.000 0.440 14 V N 1.499 121.406 119.914 -0.011 0.000 2.343 14 V HA -0.248 3.873 4.120 0.001 0.000 0.247 14 V C 2.262 178.363 176.094 0.011 0.000 1.051 14 V CA 1.612 63.914 62.300 0.003 0.000 1.036 14 V CB -0.335 31.493 31.823 0.009 0.000 0.654 14 V HN 0.218 nan 8.190 nan 0.000 0.451 15 K N -0.441 119.962 120.400 0.005 0.000 2.057 15 K HA -0.086 4.234 4.320 0.001 0.000 0.207 15 K C 2.120 178.741 176.600 0.035 0.000 1.049 15 K CA 1.590 57.900 56.287 0.038 0.000 0.931 15 K CB -0.477 32.051 32.500 0.047 0.000 0.714 15 K HN 0.429 nan 8.250 nan 0.000 0.440 16 M N 0.319 119.923 119.600 0.007 0.000 2.117 16 M HA -0.190 4.290 4.480 0.001 0.000 0.262 16 M C 2.249 178.559 176.300 0.016 0.000 1.065 16 M CA 1.143 56.451 55.300 0.013 0.000 1.114 16 M CB -0.409 32.190 32.600 -0.002 0.000 1.361 16 M HN 0.031 nan 8.290 nan 0.000 0.408 17 L N 0.695 121.926 121.223 0.012 0.000 1.989 17 L HA -0.203 4.138 4.340 0.001 0.000 0.211 17 L C 2.468 179.349 176.870 0.017 0.000 1.071 17 L CA 1.974 56.822 54.840 0.014 0.000 0.749 17 L CB -0.595 41.471 42.059 0.011 0.000 0.890 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.661 119.852 120.500 0.021 0.000 2.081 18 R HA -0.103 4.238 4.340 0.001 0.000 0.235 18 R C 2.207 178.522 176.300 0.024 0.000 1.131 18 R CA 1.142 57.256 56.100 0.023 0.000 0.960 18 R CB -1.046 29.270 30.300 0.028 0.000 0.856 18 R HN 0.605 nan 8.270 nan 0.000 0.436 19 G N 0.724 109.542 108.800 0.030 0.000 2.446 19 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 19 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 19 G C 1.431 176.344 174.900 0.022 0.000 1.168 19 G CA 0.861 45.979 45.100 0.030 0.000 0.771 19 G HN 0.262 nan 8.290 nan 0.000 0.551 20 V N 0.810 120.736 119.914 0.020 0.000 2.295 20 V HA -0.151 3.970 4.120 0.001 0.000 0.246 20 V C 2.356 178.459 176.094 0.014 0.000 1.049 20 V CA 2.785 65.094 62.300 0.016 0.000 1.024 20 V CB -0.513 31.319 31.823 0.016 0.000 0.648 20 V HN 0.449 nan 8.190 nan 0.000 0.447 21 N N -1.046 117.663 118.700 0.014 0.000 2.409 21 N HA -0.063 4.678 4.740 0.001 0.000 0.179 21 N C 1.545 177.062 175.510 0.012 0.000 1.032 21 N CA 1.128 54.185 53.050 0.013 0.000 0.898 21 N CB 0.119 38.613 38.487 0.012 0.000 0.971 21 N HN 0.396 nan 8.380 nan 0.000 0.441 22 V N 1.003 120.924 119.914 0.013 0.000 2.358 22 V HA -0.158 3.963 4.120 0.001 0.000 0.246 22 V C 2.182 178.281 176.094 0.009 0.000 1.047 22 V CA 1.041 63.347 62.300 0.011 0.000 1.035 22 V CB -0.485 31.346 31.823 0.012 0.000 0.658 22 V HN 0.430 nan 8.190 nan 0.000 0.452 23 L N 0.753 121.981 121.223 0.009 0.000 2.017 23 L HA -0.138 4.203 4.340 0.001 0.000 0.208 23 L C 2.554 179.427 176.870 0.005 0.000 1.073 23 L CA 2.755 57.598 54.840 0.006 0.000 0.745 23 L CB -1.344 40.718 42.059 0.006 0.000 0.894 23 L HN 0.333 nan 8.230 nan 0.000 0.432 24 A N -0.235 122.589 122.820 0.007 0.000 1.883 24 A HA -0.266 4.055 4.320 0.001 0.000 0.217 24 A C 1.909 179.497 177.584 0.007 0.000 1.186 24 A CA 1.986 54.027 52.037 0.008 0.000 0.624 24 A CB -0.836 18.169 19.000 0.010 0.000 0.822 24 A HN 0.496 nan 8.150 nan 0.000 0.444 25 D N -0.277 120.128 120.400 0.007 0.000 2.149 25 D HA -0.021 4.620 4.640 0.001 0.000 0.198 25 D C 2.176 178.479 176.300 0.005 0.000 0.990 25 D CA 1.466 55.470 54.000 0.006 0.000 0.839 25 D CB -0.209 40.595 40.800 0.007 0.000 0.948 25 D HN 0.445 nan 8.370 nan 0.000 0.460 26 A N -0.019 122.804 122.820 0.004 0.000 1.841 26 A HA -0.096 4.225 4.320 0.001 0.000 0.214 26 A C 2.326 179.912 177.584 0.002 0.000 1.195 26 A CA 1.208 53.247 52.037 0.003 0.000 0.611 26 A CB -0.880 18.122 19.000 0.002 0.000 0.835 26 A HN 0.192 nan 8.150 nan 0.000 0.443 27 V N 1.313 121.229 119.914 0.002 0.000 2.719 27 V HA -0.169 3.951 4.120 0.001 0.000 0.252 27 V C 2.486 178.582 176.094 0.002 0.000 1.065 27 V CA 2.236 64.537 62.300 0.001 0.000 1.086 27 V CB -0.610 31.213 31.823 -0.000 0.000 0.700 27 V HN 0.812 nan 8.190 nan 0.000 0.467 28 K N 0.739 121.142 120.400 0.004 0.000 2.209 28 K HA -0.113 4.208 4.320 0.001 0.000 0.204 28 K C 1.724 178.327 176.600 0.005 0.000 1.048 28 K CA 1.925 58.215 56.287 0.005 0.000 0.940 28 K CB -0.878 31.626 32.500 0.007 0.000 0.729 28 K HN 0.518 nan 8.250 nan 0.000 0.451 29 V N 0.272 120.188 119.914 0.004 0.000 3.305 29 V HA -0.088 4.033 4.120 0.001 0.000 0.269 29 V C 2.074 178.169 176.094 0.002 0.000 1.157 29 V CA 1.549 63.851 62.300 0.003 0.000 1.157 29 V CB -0.964 30.860 31.823 0.003 0.000 0.772 29 V HN 0.538 nan 8.190 nan 0.000 0.498 30 T N -2.573 111.982 114.554 0.001 0.000 3.081 30 T HA 0.080 4.431 4.350 0.001 0.000 0.255 30 T C 1.625 176.324 174.700 -0.001 0.000 1.113 30 T CA 0.949 63.049 62.100 -0.001 0.000 1.082 30 T CB -0.005 68.862 68.868 -0.002 0.000 0.939 30 T HN 0.409 nan 8.240 nan 0.000 0.506 31 L N 2.087 123.311 121.223 0.001 0.000 2.291 31 L HA 0.389 4.730 4.340 0.001 0.000 0.214 31 L C 1.321 178.191 176.870 -0.000 0.000 1.120 31 L CA 0.480 55.322 54.840 0.002 0.000 0.799 31 L CB -0.944 41.118 42.059 0.005 0.000 0.925 31 L HN 0.410 nan 8.230 nan 0.000 0.446 32 G N -1.124 107.676 108.800 -0.001 0.000 2.476 32 G HA2 0.358 4.319 3.960 0.001 0.000 0.269 32 G HA3 0.358 4.319 3.960 0.001 0.000 0.269 32 G C -1.758 173.135 174.900 -0.011 0.000 1.195 32 G CA -0.551 44.546 45.100 -0.005 0.000 0.843 32 G HN 0.141 nan 8.290 nan 0.000 0.545 33 P HA -0.035 nan 4.420 nan 0.000 0.217 33 P C 0.616 177.902 177.300 -0.024 0.000 1.151 33 P CA 1.025 64.111 63.100 -0.025 0.000 0.828 33 P CB 0.376 32.053 31.700 -0.038 0.000 0.788 34 K N 0.949 121.334 120.400 -0.024 0.000 3.165 34 K HA 0.329 4.650 4.320 0.001 0.000 0.259 34 K C 0.987 177.580 176.600 -0.011 0.000 1.282 34 K CA -0.383 55.893 56.287 -0.019 0.000 1.259 34 K CB 0.109 32.595 32.500 -0.023 0.000 1.546 34 K HN 0.062 nan 8.250 nan 0.000 0.384 35 G N 0.960 109.755 108.800 -0.009 0.000 2.599 35 G HA2 0.153 4.114 3.960 0.001 0.000 0.264 35 G HA3 0.153 4.114 3.960 0.001 0.000 0.264 35 G C 0.030 174.928 174.900 -0.004 0.000 1.200 35 G CA -0.661 44.436 45.100 -0.005 0.000 0.896 35 G HN 0.225 nan 8.290 nan 0.000 0.536 36 R N 0.338 120.837 120.500 -0.002 0.000 2.500 36 R HA 0.204 4.544 4.340 0.001 0.000 0.275 36 R C 0.287 176.587 176.300 -0.002 0.000 1.051 36 R CA -0.567 55.532 56.100 -0.001 0.000 1.088 36 R CB 0.500 30.801 30.300 0.001 0.000 1.063 36 R HN 0.711 nan 8.270 nan 0.000 0.511 37 N N 0.446 119.145 118.700 -0.001 0.000 2.493 37 N HA 0.336 5.076 4.740 0.001 0.000 0.275 37 N C -0.514 174.995 175.510 -0.001 0.000 1.186 37 N CA -0.498 52.551 53.050 -0.001 0.000 0.978 37 N CB 1.382 39.868 38.487 -0.002 0.000 1.184 37 N HN 0.087 nan 8.380 nan 0.000 0.487 38 V N 0.730 120.644 119.914 -0.001 0.000 2.789 38 V HA 0.323 4.444 4.120 0.001 0.000 0.311 38 V C -0.285 175.809 176.094 -0.000 0.000 1.073 38 V CA -0.895 61.404 62.300 -0.000 0.000 0.921 38 V CB 2.254 34.077 31.823 -0.000 0.000 1.009 38 V HN 0.413 nan 8.190 nan 0.000 0.426 39 V N 5.202 125.117 119.914 0.000 0.000 2.384 39 V HA 0.469 4.590 4.120 0.001 0.000 0.287 39 V C -0.704 175.391 176.094 0.002 0.000 1.020 39 V CA -0.574 61.727 62.300 0.001 0.000 0.850 39 V CB 1.530 33.353 31.823 -0.000 0.000 0.987 39 V HN 0.508 nan 8.190 nan 0.000 0.436 40 L N 3.765 124.990 121.223 0.003 0.000 2.295 40 L HA 0.461 4.801 4.340 0.001 0.000 0.281 40 L C 0.034 176.909 176.870 0.009 0.000 1.018 40 L CA -0.309 54.535 54.840 0.005 0.000 0.841 40 L CB 0.882 42.944 42.059 0.005 0.000 1.218 40 L HN 0.645 nan 8.230 nan 0.000 0.424 41 D N 3.238 123.644 120.400 0.009 0.000 2.472 41 D HA 0.158 4.799 4.640 0.001 0.000 0.237 41 D C -0.443 175.873 176.300 0.026 0.000 1.141 41 D CA 0.644 54.652 54.000 0.012 0.000 0.875 41 D CB 0.792 41.596 40.800 0.008 0.000 1.192 41 D HN 0.278 nan 8.370 nan 0.000 0.450 42 K N 1.514 121.933 120.400 0.032 0.000 2.613 42 K HA 0.278 4.599 4.320 0.001 0.000 0.248 42 K C 0.625 177.254 176.600 0.049 0.000 0.959 42 K CA -0.521 55.805 56.287 0.065 0.000 0.855 42 K CB 1.710 34.257 32.500 0.078 0.000 1.143 42 K HN 0.147 nan 8.250 nan 0.000 0.437 43 S N 1.713 117.435 115.700 0.036 0.000 2.442 43 S HA -0.027 4.444 4.470 0.001 0.000 0.236 43 S C 0.236 174.679 174.600 -0.261 0.000 1.007 43 S CA 0.915 59.042 58.200 -0.121 0.000 0.965 43 S CB -0.275 62.810 63.200 -0.192 0.000 0.773 43 S HN 0.382 nan 8.310 nan 0.000 0.504 44 F N 0.768 120.716 119.950 -0.004 0.000 2.443 44 F HA 0.610 5.138 4.527 0.001 0.000 0.335 44 F C 1.400 177.198 175.800 -0.004 0.000 1.104 44 F CA 0.028 58.026 58.000 -0.004 0.000 1.013 44 F CB 1.130 40.128 39.000 -0.004 0.000 1.136 44 F HN 0.229 nan 8.300 nan 0.000 0.470 45 G N 1.838 110.732 108.800 0.156 0.000 2.950 45 G HA2 0.088 4.049 3.960 0.001 0.000 0.299 45 G HA3 0.088 4.049 3.960 0.001 0.000 0.299 45 G C -0.472 174.455 174.900 0.045 0.000 1.310 45 G CA 0.117 45.270 45.100 0.087 0.000 0.994 45 G HN 1.568 nan 8.290 nan 0.000 0.575 46 A N 0.584 123.428 122.820 0.041 0.000 2.605 46 A HA 0.806 5.127 4.320 0.001 0.000 0.294 46 A C -2.957 174.641 177.584 0.022 0.000 1.062 46 A CA 0.133 52.182 52.037 0.021 0.000 0.682 46 A CB 1.596 20.605 19.000 0.015 0.000 1.278 46 A HN 0.991 nan 8.150 nan 0.000 0.410 47 P HA 0.340 nan 4.420 nan 0.000 0.277 47 P C -0.378 176.928 177.300 0.010 0.000 1.240 47 P CA 0.121 63.229 63.100 0.012 0.000 0.798 47 P CB 0.655 32.358 31.700 0.005 0.000 0.979 48 T N 3.275 117.835 114.554 0.010 0.000 2.776 48 T HA 0.283 4.634 4.350 0.001 0.000 0.292 48 T C 0.683 175.385 174.700 0.004 0.000 0.921 48 T CA -0.138 61.967 62.100 0.007 0.000 1.038 48 T CB -0.814 68.058 68.868 0.007 0.000 0.910 48 T HN 0.223 nan 8.240 nan 0.000 0.536 49 I N 3.513 124.084 120.570 0.003 0.000 2.329 49 I HA 0.175 4.346 4.170 0.001 0.000 0.295 49 I C 0.976 177.093 176.117 -0.000 0.000 1.109 49 I CA -0.094 61.207 61.300 0.001 0.000 1.297 49 I CB 0.124 38.124 38.000 0.000 0.000 1.433 49 I HN 0.426 nan 8.210 nan 0.000 0.509 50 T N 4.879 119.433 114.554 -0.001 0.000 2.912 50 T HA 0.357 4.708 4.350 0.001 0.000 0.288 50 T C 0.701 175.400 174.700 -0.002 0.000 1.030 50 T CA -0.612 61.487 62.100 -0.002 0.000 1.020 50 T CB 1.561 70.428 68.868 -0.002 0.000 1.056 50 T HN 0.586 nan 8.240 nan 0.000 0.480 51 K N 1.244 121.642 120.400 -0.003 0.000 2.358 51 K HA 0.155 4.476 4.320 0.001 0.000 0.200 51 K C -0.239 176.359 176.600 -0.004 0.000 1.030 51 K CA -0.115 56.170 56.287 -0.004 0.000 1.097 51 K CB 0.392 32.889 32.500 -0.005 0.000 0.862 51 K HN 0.557 nan 8.250 nan 0.000 0.534 52 D N -0.612 119.786 120.400 -0.004 0.000 2.264 52 D HA 0.091 4.732 4.640 0.001 0.000 0.250 52 D C 1.098 177.395 176.300 -0.005 0.000 1.113 52 D CA -0.253 53.745 54.000 -0.005 0.000 0.871 52 D CB 1.555 42.352 40.800 -0.006 0.000 1.167 52 D HN 0.061 nan 8.370 nan 0.000 0.447 53 G N 2.096 110.892 108.800 -0.005 0.000 2.448 53 G HA2 -0.134 3.827 3.960 0.001 0.000 0.218 53 G HA3 -0.134 3.827 3.960 0.001 0.000 0.218 53 G C 1.385 176.280 174.900 -0.009 0.000 1.135 53 G CA 0.477 45.574 45.100 -0.006 0.000 0.784 53 G HN 0.466 nan 8.290 nan 0.000 0.543 54 V N 1.242 121.150 119.914 -0.011 0.000 2.358 54 V HA -0.172 3.949 4.120 0.001 0.000 0.246 54 V C 3.064 179.150 176.094 -0.013 0.000 1.047 54 V CA 2.149 64.440 62.300 -0.015 0.000 1.035 54 V CB -0.542 31.271 31.823 -0.017 0.000 0.658 54 V HN 0.345 nan 8.190 nan 0.000 0.452 55 S N 0.064 115.758 115.700 -0.011 0.000 2.356 55 S HA -0.175 4.296 4.470 0.001 0.000 0.223 55 S C 2.038 176.634 174.600 -0.007 0.000 1.032 55 S CA 1.585 59.779 58.200 -0.009 0.000 1.005 55 S CB -0.296 62.900 63.200 -0.006 0.000 0.867 55 S HN 0.379 nan 8.310 nan 0.000 0.449 56 V N 2.116 122.027 119.914 -0.006 0.000 2.261 56 V HA -0.210 3.911 4.120 0.001 0.000 0.246 56 V C 2.707 178.797 176.094 -0.005 0.000 1.047 56 V CA 1.756 64.054 62.300 -0.004 0.000 1.015 56 V CB -1.311 30.510 31.823 -0.003 0.000 0.642 56 V HN 0.545 nan 8.190 nan 0.000 0.446 57 A N 0.022 122.837 122.820 -0.008 0.000 1.883 57 A HA -0.300 4.021 4.320 0.001 0.000 0.217 57 A C 2.408 179.985 177.584 -0.011 0.000 1.186 57 A CA 2.312 54.343 52.037 -0.010 0.000 0.624 57 A CB -0.656 18.336 19.000 -0.013 0.000 0.822 57 A HN 0.500 nan 8.150 nan 0.000 0.444 58 R N -0.505 119.987 120.500 -0.013 0.000 2.096 58 R HA -0.231 4.109 4.340 0.001 0.000 0.240 58 R C 2.105 178.399 176.300 -0.009 0.000 1.139 58 R CA 2.086 58.178 56.100 -0.014 0.000 0.952 58 R CB -0.284 30.007 30.300 -0.015 0.000 0.854 58 R HN 0.510 nan 8.270 nan 0.000 0.436 59 E N 0.161 120.357 120.200 -0.006 0.000 2.204 59 E HA -0.033 4.318 4.350 0.001 0.000 0.194 59 E C 0.026 176.625 176.600 -0.002 0.000 0.989 59 E CA 0.363 56.761 56.400 -0.003 0.000 0.824 59 E CB 0.065 29.764 29.700 -0.001 0.000 0.756 59 E HN 0.213 nan 8.360 nan 0.000 0.477 60 I N 2.284 122.852 120.570 -0.003 0.000 2.587 60 I HA 0.093 4.264 4.170 0.001 0.000 0.284 60 I C 0.195 176.311 176.117 -0.002 0.000 1.134 60 I CA 0.741 62.040 61.300 -0.002 0.000 1.410 60 I CB 0.129 38.129 38.000 -0.001 0.000 1.392 60 I HN 0.178 nan 8.210 nan 0.000 0.545 61 E N 7.275 127.474 120.200 -0.002 0.000 2.347 61 E HA 0.442 4.793 4.350 0.001 0.000 0.285 61 E C -1.921 174.677 176.600 -0.005 0.000 0.925 61 E CA -0.557 55.841 56.400 -0.004 0.000 0.779 61 E CB 1.938 31.635 29.700 -0.006 0.000 1.233 61 E HN 0.437 nan 8.360 nan 0.000 0.414 62 L N 2.934 124.154 121.223 -0.006 0.000 2.322 62 L HA 0.406 4.746 4.340 0.001 0.000 0.269 62 L C 1.436 178.296 176.870 -0.016 0.000 1.012 62 L CA -0.702 54.134 54.840 -0.007 0.000 0.815 62 L CB 1.604 43.663 42.059 0.000 0.000 1.295 62 L HN 0.664 nan 8.230 nan 0.000 0.438 63 E N 0.530 120.721 120.200 -0.015 0.000 2.274 63 E HA -0.145 4.206 4.350 0.001 0.000 0.194 63 E C 0.107 176.685 176.600 -0.036 0.000 0.996 63 E CA 0.367 56.753 56.400 -0.024 0.000 0.840 63 E CB 0.361 30.050 29.700 -0.018 0.000 0.772 63 E HN 0.577 nan 8.360 nan 0.000 0.491 64 D N 1.635 122.020 120.400 -0.025 0.000 2.346 64 D HA -0.012 4.629 4.640 0.001 0.000 0.260 64 D C -0.750 175.512 176.300 -0.062 0.000 1.252 64 D CA 0.059 54.043 54.000 -0.028 0.000 0.895 64 D CB 0.438 41.243 40.800 0.008 0.000 1.097 64 D HN -0.098 nan 8.370 nan 0.000 0.489 65 K N 3.976 124.288 120.400 -0.146 0.000 2.382 65 K HA 0.067 4.388 4.320 0.001 0.000 0.286 65 K C -0.144 176.234 176.600 -0.371 0.000 1.062 65 K CA -0.011 56.076 56.287 -0.333 0.000 1.000 65 K CB 0.396 32.617 32.500 -0.464 0.000 0.954 65 K HN 0.456 nan 8.250 nan 0.000 0.470 66 F N -0.275 119.664 119.950 -0.019 0.000 2.245 66 F HA -0.265 4.262 4.527 0.001 0.000 0.656 66 F C 1.324 177.115 175.800 -0.014 0.000 0.491 66 F CA 0.759 58.747 58.000 -0.021 0.000 1.522 66 F CB -1.087 37.897 39.000 -0.026 0.000 2.306 66 F HN 0.553 nan 8.300 nan 0.000 0.259 67 E N 0.634 120.928 120.200 0.158 0.000 2.106 67 E HA -0.166 4.184 4.350 0.001 0.000 0.192 67 E C 1.528 178.161 176.600 0.055 0.000 0.984 67 E CA 1.253 57.705 56.400 0.087 0.000 0.806 67 E CB -0.297 29.440 29.700 0.062 0.000 0.750 67 E HN 0.523 nan 8.360 nan 0.000 0.458 68 N N 0.670 119.392 118.700 0.035 0.000 2.137 68 N HA -0.188 4.553 4.740 0.001 0.000 0.190 68 N C 1.711 177.238 175.510 0.029 0.000 1.017 68 N CA 1.458 54.518 53.050 0.017 0.000 0.859 68 N CB 0.049 38.531 38.487 -0.008 0.000 1.002 68 N HN 0.102 nan 8.380 nan 0.000 0.428 69 M N -1.073 118.560 119.600 0.057 0.000 2.132 69 M HA 0.026 4.507 4.480 0.001 0.000 0.263 69 M C 2.292 178.623 176.300 0.052 0.000 1.065 69 M CA 1.427 56.766 55.300 0.065 0.000 1.122 69 M CB -0.547 32.125 32.600 0.119 0.000 1.365 69 M HN 0.291 nan 8.290 nan 0.000 0.411 70 G N 0.439 109.273 108.800 0.056 0.000 2.421 70 G HA2 -0.151 3.810 3.960 0.001 0.000 0.216 70 G HA3 -0.151 3.810 3.960 0.001 0.000 0.216 70 G C 1.674 176.589 174.900 0.025 0.000 1.171 70 G CA 1.078 46.200 45.100 0.037 0.000 0.775 70 G HN 0.523 nan 8.290 nan 0.000 0.543 71 A N -0.055 122.779 122.820 0.024 0.000 1.908 71 A HA -0.100 4.220 4.320 0.001 0.000 0.218 71 A C 2.384 179.972 177.584 0.007 0.000 1.181 71 A CA 1.964 54.009 52.037 0.014 0.000 0.627 71 A CB -0.407 18.600 19.000 0.012 0.000 0.818 71 A HN 0.344 nan 8.150 nan 0.000 0.445 72 Q N -0.873 118.933 119.800 0.009 0.000 2.084 72 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 72 Q C 2.222 178.222 176.000 -0.000 0.000 0.978 72 Q CA 1.651 57.456 55.803 0.002 0.000 0.844 72 Q CB -0.362 28.379 28.738 0.006 0.000 0.898 72 Q HN 0.790 nan 8.270 nan 0.000 0.426 73 M N -0.372 119.233 119.600 0.008 0.000 2.080 73 M HA -0.179 4.302 4.480 0.001 0.000 0.260 73 M C 2.315 178.614 176.300 -0.002 0.000 1.068 73 M CA 1.288 56.592 55.300 0.006 0.000 1.109 73 M CB -0.381 32.229 32.600 0.017 0.000 1.342 73 M HN -0.028 nan 8.290 nan 0.000 0.405 74 V N 0.356 120.271 119.914 0.002 0.000 2.358 74 V HA -0.254 3.866 4.120 0.001 0.000 0.246 74 V C 2.195 178.278 176.094 -0.017 0.000 1.047 74 V CA 1.745 64.044 62.300 -0.002 0.000 1.035 74 V CB -0.686 31.140 31.823 0.005 0.000 0.658 74 V HN 0.430 nan 8.190 nan 0.000 0.452 75 K N -0.081 120.309 120.400 -0.017 0.000 2.009 75 K HA -0.259 4.062 4.320 0.001 0.000 0.210 75 K C 2.287 178.860 176.600 -0.045 0.000 1.049 75 K CA 2.046 58.317 56.287 -0.027 0.000 0.929 75 K CB -0.228 32.260 32.500 -0.020 0.000 0.714 75 K HN 0.517 nan 8.250 nan 0.000 0.440 76 E N 0.554 120.727 120.200 -0.045 0.000 2.047 76 E HA -0.159 4.192 4.350 0.001 0.000 0.191 76 E C 1.903 178.436 176.600 -0.112 0.000 0.987 76 E CA 1.068 57.429 56.400 -0.066 0.000 0.799 76 E CB 0.220 29.892 29.700 -0.047 0.000 0.752 76 E HN 0.044 nan 8.360 nan 0.000 0.449 77 V N 1.027 120.879 119.914 -0.104 0.000 2.667 77 V HA -0.174 3.947 4.120 0.001 0.000 0.252 77 V C 2.323 178.294 176.094 -0.206 0.000 1.065 77 V CA 1.447 63.642 62.300 -0.174 0.000 1.083 77 V CB -0.400 31.392 31.823 -0.052 0.000 0.692 77 V HN 0.372 nan 8.190 nan 0.000 0.468 78 A N -0.806 121.948 122.820 -0.111 0.000 1.969 78 A HA -0.203 4.118 4.320 0.001 0.000 0.218 78 A C 2.533 180.049 177.584 -0.114 0.000 1.169 78 A CA 2.051 54.035 52.037 -0.089 0.000 0.635 78 A CB -0.603 18.369 19.000 -0.046 0.000 0.810 78 A HN 0.458 nan 8.150 nan 0.000 0.445 79 S N -0.419 115.208 115.700 -0.123 0.000 2.345 79 S HA -0.159 4.311 4.470 0.001 0.000 0.220 79 S C 2.001 176.488 174.600 -0.189 0.000 1.031 79 S CA 1.735 59.861 58.200 -0.123 0.000 0.996 79 S CB -0.274 62.867 63.200 -0.097 0.000 0.882 79 S HN 0.608 nan 8.310 nan 0.000 0.445 80 K N 0.784 120.998 120.400 -0.310 0.000 2.209 80 K HA 0.003 4.324 4.320 0.001 0.000 0.204 80 K C 2.200 178.418 176.600 -0.637 0.000 1.048 80 K CA 0.989 56.982 56.287 -0.491 0.000 0.940 80 K CB -0.252 31.849 32.500 -0.665 0.000 0.729 80 K HN 0.420 nan 8.250 nan 0.000 0.451 81 A N 1.786 124.288 122.820 -0.529 0.000 1.872 81 A HA -0.191 4.130 4.320 0.001 0.000 0.214 81 A C 2.002 179.560 177.584 -0.044 0.000 1.187 81 A CA 1.469 53.419 52.037 -0.145 0.000 0.614 81 A CB -0.652 18.328 19.000 -0.033 0.000 0.826 81 A HN 0.361 nan 8.150 nan 0.000 0.442 82 N N -0.145 118.513 118.700 -0.070 0.000 2.120 82 N HA -0.193 4.548 4.740 0.001 0.000 0.188 82 N C 0.953 176.443 175.510 -0.032 0.000 1.024 82 N CA 1.613 54.640 53.050 -0.038 0.000 0.852 82 N CB -0.296 38.163 38.487 -0.045 0.000 1.003 82 N HN 0.412 nan 8.380 nan 0.000 0.424 83 D N 0.262 120.630 120.400 -0.054 0.000 2.263 83 D HA -0.088 4.553 4.640 0.001 0.000 0.208 83 D C 1.077 177.375 176.300 -0.003 0.000 0.971 83 D CA 0.655 54.632 54.000 -0.038 0.000 0.867 83 D CB 0.017 40.782 40.800 -0.058 0.000 0.929 83 D HN 0.396 nan 8.370 nan 0.000 0.492 84 A N -0.352 122.482 122.820 0.024 0.000 2.345 84 A HA 0.503 4.824 4.320 0.001 0.000 0.225 84 A C 1.517 179.137 177.584 0.060 0.000 1.243 84 A CA 0.682 52.763 52.037 0.073 0.000 0.875 84 A CB 0.430 19.536 19.000 0.176 0.000 0.929 84 A HN 0.186 nan 8.150 nan 0.000 0.502 85 A N -2.543 120.300 122.820 0.037 0.000 1.852 85 A HA 0.493 4.814 4.320 0.001 0.000 0.205 85 A C 1.733 179.332 177.584 0.025 0.000 1.757 85 A CA 0.999 53.057 52.037 0.034 0.000 1.088 85 A CB -0.400 18.620 19.000 0.034 0.000 1.079 85 A HN 1.743 nan 8.150 nan 0.000 0.524 86 G N -1.067 107.742 108.800 0.015 0.000 2.195 86 G HA2 -0.161 3.800 3.960 0.001 0.000 0.246 86 G HA3 -0.161 3.800 3.960 0.001 0.000 0.246 86 G C -0.041 174.865 174.900 0.010 0.000 0.984 86 G CA 0.784 45.892 45.100 0.013 0.000 0.633 86 G HN 0.813 nan 8.290 nan 0.000 0.525 87 D N -2.622 117.783 120.400 0.009 0.000 3.145 87 D HA 0.510 5.151 4.640 0.001 0.000 0.345 87 D C 1.216 177.519 176.300 0.006 0.000 1.391 87 D CA 1.009 55.013 54.000 0.007 0.000 0.930 87 D CB 0.395 41.202 40.800 0.011 0.000 1.451 87 D HN 1.306 nan 8.370 nan 0.000 0.555 88 G N -0.405 108.400 108.800 0.007 0.000 2.179 88 G HA2 -0.317 3.644 3.960 0.001 0.000 0.260 88 G HA3 -0.317 3.644 3.960 0.001 0.000 0.260 88 G C 1.022 175.927 174.900 0.008 0.000 0.977 88 G CA 1.473 46.580 45.100 0.011 0.000 0.641 88 G HN 0.485 nan 8.290 nan 0.000 0.533 89 T N 0.794 115.347 114.554 -0.002 0.000 2.635 89 T HA -0.181 4.170 4.350 0.001 0.000 0.267 89 T C 2.474 177.172 174.700 -0.003 0.000 1.040 89 T CA 2.462 64.556 62.100 -0.009 0.000 1.156 89 T CB -0.605 68.254 68.868 -0.016 0.000 0.863 89 T HN 0.505 nan 8.240 nan 0.000 0.430 90 T N 1.909 116.463 114.554 -0.000 0.000 2.821 90 T HA -0.089 4.262 4.350 0.001 0.000 0.267 90 T C 2.338 177.043 174.700 0.008 0.000 1.046 90 T CA 1.568 63.670 62.100 0.003 0.000 1.139 90 T CB -0.751 68.118 68.868 0.002 0.000 0.871 90 T HN 0.462 nan 8.240 nan 0.000 0.454 91 T N 2.440 117.001 114.554 0.011 0.000 2.652 91 T HA -0.106 4.245 4.350 0.001 0.000 0.267 91 T C 2.460 177.174 174.700 0.023 0.000 1.039 91 T CA 1.296 63.406 62.100 0.017 0.000 1.153 91 T CB -0.734 68.144 68.868 0.018 0.000 0.863 91 T HN 0.443 nan 8.240 nan 0.000 0.428 92 A N 1.499 124.334 122.820 0.026 0.000 1.917 92 A HA -0.178 4.143 4.320 0.001 0.000 0.219 92 A C 2.578 180.180 177.584 0.031 0.000 1.182 92 A CA 2.297 54.357 52.037 0.038 0.000 0.633 92 A CB -1.355 17.669 19.000 0.039 0.000 0.819 92 A HN 0.522 nan 8.150 nan 0.000 0.448 93 T N -0.717 113.848 114.554 0.018 0.000 2.812 93 T HA -0.063 4.288 4.350 0.001 0.000 0.264 93 T C 1.835 176.545 174.700 0.016 0.000 1.042 93 T CA 1.403 63.511 62.100 0.014 0.000 1.140 93 T CB -0.325 68.547 68.868 0.006 0.000 0.870 93 T HN 0.149 nan 8.240 nan 0.000 0.445 94 V N 1.405 121.329 119.914 0.016 0.000 2.453 94 V HA -0.047 4.074 4.120 0.001 0.000 0.247 94 V C 2.430 178.535 176.094 0.019 0.000 1.048 94 V CA 1.203 63.513 62.300 0.016 0.000 1.049 94 V CB -0.627 31.204 31.823 0.014 0.000 0.672 94 V HN 0.417 nan 8.190 nan 0.000 0.457 95 L N 0.040 121.277 121.223 0.023 0.000 2.017 95 L HA -0.159 4.182 4.340 0.001 0.000 0.208 95 L C 2.776 179.662 176.870 0.026 0.000 1.073 95 L CA 1.679 56.534 54.840 0.025 0.000 0.745 95 L CB -0.835 41.242 42.059 0.030 0.000 0.894 95 L HN 0.353 nan 8.230 nan 0.000 0.432 96 A N -0.543 122.295 122.820 0.030 0.000 1.865 96 A HA -0.315 4.006 4.320 0.001 0.000 0.217 96 A C 2.260 179.858 177.584 0.023 0.000 1.191 96 A CA 2.054 54.110 52.037 0.031 0.000 0.623 96 A CB -0.761 18.260 19.000 0.036 0.000 0.826 96 A HN 0.514 nan 8.150 nan 0.000 0.444 97 Q N -0.532 119.280 119.800 0.020 0.000 2.029 97 Q HA -0.238 4.102 4.340 0.001 0.000 0.209 97 Q C 2.196 178.205 176.000 0.016 0.000 0.999 97 Q CA 2.270 58.083 55.803 0.016 0.000 0.857 97 Q CB -0.386 28.361 28.738 0.014 0.000 0.926 97 Q HN 0.601 nan 8.270 nan 0.000 0.415 98 A N 0.115 122.945 122.820 0.016 0.000 2.015 98 A HA -0.093 4.228 4.320 0.001 0.000 0.219 98 A C 1.910 179.503 177.584 0.014 0.000 1.163 98 A CA 1.136 53.182 52.037 0.014 0.000 0.646 98 A CB -0.409 18.600 19.000 0.015 0.000 0.806 98 A HN 0.492 nan 8.150 nan 0.000 0.448 99 I N -0.867 119.712 120.570 0.016 0.000 2.339 99 I HA -0.119 4.052 4.170 0.001 0.000 0.245 99 I C 2.192 178.317 176.117 0.013 0.000 1.096 99 I CA 0.876 62.185 61.300 0.014 0.000 1.408 99 I CB -0.276 37.733 38.000 0.016 0.000 1.092 99 I HN 0.220 nan 8.210 nan 0.000 0.423 100 I N 0.577 121.156 120.570 0.015 0.000 2.202 100 I HA -0.233 3.938 4.170 0.001 0.000 0.242 100 I C 2.336 178.460 176.117 0.012 0.000 1.091 100 I CA 1.497 62.805 61.300 0.014 0.000 1.368 100 I CB -0.493 37.517 38.000 0.016 0.000 1.058 100 I HN 0.180 nan 8.210 nan 0.000 0.410 101 T N 0.085 114.646 114.554 0.012 0.000 3.007 101 T HA -0.075 4.276 4.350 0.001 0.000 0.270 101 T C 1.680 176.385 174.700 0.009 0.000 1.107 101 T CA 0.874 62.981 62.100 0.011 0.000 1.118 101 T CB -0.080 68.795 68.868 0.011 0.000 0.889 101 T HN 0.289 nan 8.240 nan 0.000 0.506 102 E N 0.593 120.798 120.200 0.009 0.000 2.127 102 E HA 0.107 4.457 4.350 0.001 0.000 0.191 102 E C 2.542 179.146 176.600 0.007 0.000 0.964 102 E CA 0.637 57.042 56.400 0.008 0.000 0.832 102 E CB -0.457 29.248 29.700 0.008 0.000 0.790 102 E HN 0.501 nan 8.360 nan 0.000 0.465 103 G N 1.093 109.898 108.800 0.008 0.000 2.394 103 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 103 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 103 G C 1.579 176.482 174.900 0.006 0.000 1.165 103 G CA 0.277 45.381 45.100 0.007 0.000 0.784 103 G HN 0.086 nan 8.290 nan 0.000 0.535 104 L N 0.808 122.034 121.223 0.006 0.000 2.056 104 L HA 0.077 4.417 4.340 0.001 0.000 0.207 104 L C 2.644 179.517 176.870 0.005 0.000 1.078 104 L CA 1.645 56.488 54.840 0.005 0.000 0.749 104 L CB -0.548 41.514 42.059 0.005 0.000 0.901 104 L HN 0.219 nan 8.230 nan 0.000 0.433 105 K N -0.175 120.228 120.400 0.006 0.000 2.063 105 K HA -0.234 4.087 4.320 0.001 0.000 0.208 105 K C 2.045 178.648 176.600 0.005 0.000 1.048 105 K CA 1.607 57.898 56.287 0.006 0.000 0.928 105 K CB -0.107 32.397 32.500 0.006 0.000 0.713 105 K HN 0.279 nan 8.250 nan 0.000 0.442 106 A N 0.860 123.683 122.820 0.005 0.000 1.877 106 A HA -0.129 4.192 4.320 0.001 0.000 0.216 106 A C 2.250 179.836 177.584 0.003 0.000 1.186 106 A CA 1.701 53.740 52.037 0.004 0.000 0.620 106 A CB -0.886 18.117 19.000 0.004 0.000 0.822 106 A HN 0.272 nan 8.150 nan 0.000 0.443 107 V N -0.181 119.734 119.914 0.003 0.000 2.515 107 V HA -0.100 4.021 4.120 0.001 0.000 0.250 107 V C 2.687 178.782 176.094 0.003 0.000 1.058 107 V CA 2.146 64.447 62.300 0.003 0.000 1.064 107 V CB -0.696 31.129 31.823 0.002 0.000 0.675 107 V HN 0.591 nan 8.190 nan 0.000 0.461 108 A N -0.026 122.796 122.820 0.003 0.000 1.972 108 A HA 0.054 4.375 4.320 0.001 0.000 0.219 108 A C 2.177 179.763 177.584 0.003 0.000 1.169 108 A CA 1.737 53.776 52.037 0.004 0.000 0.635 108 A CB -0.740 18.263 19.000 0.005 0.000 0.810 108 A HN 0.932 nan 8.150 nan 0.000 0.446 109 A N -1.686 121.136 122.820 0.003 0.000 2.302 109 A HA 0.440 4.761 4.320 0.001 0.000 0.219 109 A C 1.551 179.136 177.584 0.002 0.000 1.243 109 A CA 1.010 53.048 52.037 0.003 0.000 0.856 109 A CB -1.041 17.961 19.000 0.003 0.000 0.893 109 A HN 1.859 nan 8.150 nan 0.000 0.491 110 G N -1.387 107.414 108.800 0.001 0.000 2.131 110 G HA2 -0.226 3.735 3.960 0.001 0.000 0.223 110 G HA3 -0.226 3.735 3.960 0.001 0.000 0.223 110 G C 0.082 174.982 174.900 0.000 0.000 0.990 110 G CA 0.271 45.371 45.100 0.000 0.000 0.671 110 G HN 0.398 nan 8.290 nan 0.000 0.521 111 M N 0.560 120.161 119.600 0.001 0.000 2.274 111 M HA 0.306 4.787 4.480 0.001 0.000 0.344 111 M C 0.670 176.971 176.300 0.001 0.000 1.161 111 M CA -0.803 54.498 55.300 0.001 0.000 1.126 111 M CB 0.779 33.380 32.600 0.002 0.000 1.522 111 M HN 0.162 nan 8.290 nan 0.000 0.461 112 N N 3.493 122.193 118.700 0.001 0.000 2.434 112 N HA 0.070 4.811 4.740 0.001 0.000 0.268 112 N C -2.132 173.378 175.510 0.001 0.000 1.256 112 N CA -1.459 51.591 53.050 0.001 0.000 0.914 112 N CB 0.769 39.256 38.487 0.000 0.000 1.088 112 N HN 0.255 nan 8.380 nan 0.000 0.478 113 P HA -0.128 nan 4.420 nan 0.000 0.215 113 P C 1.219 178.519 177.300 0.001 0.000 1.153 113 P CA 1.398 64.499 63.100 0.002 0.000 0.853 113 P CB 0.194 31.895 31.700 0.002 0.000 0.788 114 M N -1.141 118.459 119.600 0.001 0.000 2.156 114 M HA -0.094 4.387 4.480 0.001 0.000 0.264 114 M C 1.378 177.678 176.300 -0.000 0.000 1.067 114 M CA 1.798 57.098 55.300 0.000 0.000 1.131 114 M CB -1.270 31.330 32.600 -0.000 0.000 1.368 114 M HN -0.171 nan 8.290 nan 0.000 0.416 115 D N -0.707 119.693 120.400 -0.000 0.000 2.183 115 D HA 0.006 4.647 4.640 0.001 0.000 0.205 115 D C 2.002 178.302 176.300 0.000 0.000 0.962 115 D CA 0.700 54.700 54.000 -0.000 0.000 0.849 115 D CB 0.002 40.801 40.800 -0.000 0.000 0.978 115 D HN 0.194 nan 8.370 nan 0.000 0.488 116 L N 0.759 121.982 121.223 0.001 0.000 1.990 116 L HA -0.247 4.093 4.340 0.001 0.000 0.213 116 L C 2.385 179.256 176.870 0.001 0.000 1.072 116 L CA 1.389 56.230 54.840 0.002 0.000 0.755 116 L CB -0.392 41.669 42.059 0.002 0.000 0.889 116 L HN 0.017 nan 8.230 nan 0.000 0.432 117 K N 0.188 120.588 120.400 0.001 0.000 2.009 117 K HA -0.248 4.073 4.320 0.001 0.000 0.210 117 K C 2.346 178.945 176.600 -0.002 0.000 1.049 117 K CA 1.591 57.878 56.287 -0.000 0.000 0.929 117 K CB -0.150 32.350 32.500 -0.000 0.000 0.714 117 K HN 0.079 nan 8.250 nan 0.000 0.440 118 R N -0.372 120.127 120.500 -0.002 0.000 2.193 118 R HA -0.094 4.247 4.340 0.001 0.000 0.229 118 R C 2.143 178.442 176.300 -0.002 0.000 1.110 118 R CA 1.356 57.454 56.100 -0.003 0.000 0.988 118 R CB -0.274 30.025 30.300 -0.002 0.000 0.871 118 R HN 0.451 nan 8.270 nan 0.000 0.458 119 G N 0.501 109.300 108.800 -0.001 0.000 2.396 119 G HA2 -0.163 3.798 3.960 0.001 0.000 0.214 119 G HA3 -0.163 3.798 3.960 0.001 0.000 0.214 119 G C 1.393 176.293 174.900 0.000 0.000 1.166 119 G CA 0.277 45.377 45.100 0.000 0.000 0.793 119 G HN 0.186 nan 8.290 nan 0.000 0.533 120 I N 1.122 121.692 120.570 0.000 0.000 2.142 120 I HA -0.145 4.026 4.170 0.001 0.000 0.240 120 I C 2.397 178.512 176.117 -0.002 0.000 1.078 120 I CA 1.450 62.750 61.300 0.001 0.000 1.343 120 I CB -0.298 37.703 38.000 0.002 0.000 1.046 120 I HN 0.035 nan 8.210 nan 0.000 0.405 121 D N 0.818 121.215 120.400 -0.005 0.000 2.116 121 D HA -0.241 4.400 4.640 0.001 0.000 0.193 121 D C 2.125 178.421 176.300 -0.007 0.000 0.998 121 D CA 1.343 55.338 54.000 -0.008 0.000 0.836 121 D CB -0.198 40.597 40.800 -0.010 0.000 0.951 121 D HN 0.195 nan 8.370 nan 0.000 0.449 122 K N 0.129 120.526 120.400 -0.005 0.000 2.103 122 K HA -0.113 4.208 4.320 0.001 0.000 0.207 122 K C 1.951 178.550 176.600 -0.002 0.000 1.048 122 K CA 1.260 57.545 56.287 -0.004 0.000 0.930 122 K CB -0.064 32.434 32.500 -0.002 0.000 0.716 122 K HN 0.108 nan 8.250 nan 0.000 0.444 123 A N 0.440 123.260 122.820 -0.001 0.000 1.898 123 A HA -0.076 4.245 4.320 0.001 0.000 0.216 123 A C 2.206 179.790 177.584 0.000 0.000 1.181 123 A CA 1.307 53.345 52.037 0.001 0.000 0.620 123 A CB -0.515 18.486 19.000 0.003 0.000 0.819 123 A HN 0.156 nan 8.150 nan 0.000 0.442 124 V N -0.204 119.709 119.914 -0.002 0.000 2.295 124 V HA -0.242 3.879 4.120 0.001 0.000 0.246 124 V C 2.751 178.841 176.094 -0.007 0.000 1.049 124 V CA 2.509 64.805 62.300 -0.005 0.000 1.024 124 V CB -1.231 30.586 31.823 -0.010 0.000 0.648 124 V HN 0.609 nan 8.190 nan 0.000 0.447 125 T N 0.494 115.043 114.554 -0.009 0.000 2.580 125 T HA -0.284 4.067 4.350 0.001 0.000 0.265 125 T C 2.039 176.736 174.700 -0.005 0.000 1.063 125 T CA 2.130 64.225 62.100 -0.009 0.000 1.170 125 T CB -0.563 68.300 68.868 -0.008 0.000 0.863 125 T HN 0.595 nan 8.240 nan 0.000 0.418 126 A N 1.263 124.081 122.820 -0.002 0.000 1.908 126 A HA 0.104 4.424 4.320 0.001 0.000 0.218 126 A C 2.627 180.212 177.584 0.003 0.000 1.181 126 A CA 2.052 54.089 52.037 0.001 0.000 0.627 126 A CB -1.128 17.873 19.000 0.002 0.000 0.818 126 A HN 0.546 nan 8.150 nan 0.000 0.445 127 A N -0.814 122.007 122.820 0.003 0.000 1.933 127 A HA 0.036 4.357 4.320 0.001 0.000 0.218 127 A C 2.144 179.731 177.584 0.005 0.000 1.175 127 A CA 1.707 53.747 52.037 0.006 0.000 0.628 127 A CB -0.703 18.301 19.000 0.007 0.000 0.814 127 A HN 0.399 nan 8.150 nan 0.000 0.444 128 V N -0.401 119.514 119.914 0.001 0.000 2.719 128 V HA -0.138 3.983 4.120 0.001 0.000 0.252 128 V C 2.405 178.499 176.094 0.000 0.000 1.065 128 V CA 2.020 64.319 62.300 -0.001 0.000 1.086 128 V CB -0.497 31.321 31.823 -0.008 0.000 0.700 128 V HN 0.523 nan 8.190 nan 0.000 0.467 129 E N 0.103 120.304 120.200 0.000 0.000 2.047 129 E HA -0.144 4.207 4.350 0.001 0.000 0.191 129 E C 2.352 178.955 176.600 0.005 0.000 0.987 129 E CA 0.976 57.377 56.400 0.002 0.000 0.799 129 E CB -0.178 29.523 29.700 0.001 0.000 0.752 129 E HN 0.472 nan 8.360 nan 0.000 0.449 130 E N 0.131 120.335 120.200 0.007 0.000 2.110 130 E HA -0.184 4.167 4.350 0.001 0.000 0.193 130 E C 2.127 178.734 176.600 0.012 0.000 0.988 130 E CA 0.564 56.970 56.400 0.010 0.000 0.804 130 E CB -0.256 29.451 29.700 0.012 0.000 0.745 130 E HN 0.169 nan 8.360 nan 0.000 0.458 131 L N 1.633 122.863 121.223 0.011 0.000 2.083 131 L HA -0.166 4.175 4.340 0.001 0.000 0.209 131 L C 2.011 178.888 176.870 0.012 0.000 1.083 131 L CA 1.775 56.623 54.840 0.013 0.000 0.752 131 L CB -0.179 41.886 42.059 0.011 0.000 0.899 131 L HN -0.067 nan 8.230 nan 0.000 0.433 132 K N -0.926 119.479 120.400 0.009 0.000 2.148 132 K HA -0.039 4.282 4.320 0.001 0.000 0.204 132 K C 2.020 178.626 176.600 0.009 0.000 1.050 132 K CA 1.039 57.331 56.287 0.008 0.000 0.942 132 K CB -0.231 32.272 32.500 0.005 0.000 0.724 132 K HN 0.460 nan 8.250 nan 0.000 0.446 133 A N 1.011 123.837 122.820 0.010 0.000 1.968 133 A HA -0.100 4.221 4.320 0.001 0.000 0.217 133 A C 1.982 179.575 177.584 0.014 0.000 1.169 133 A CA 0.932 52.976 52.037 0.011 0.000 0.638 133 A CB -0.238 18.768 19.000 0.011 0.000 0.812 133 A HN 0.208 nan 8.150 nan 0.000 0.446 134 L N -0.352 120.881 121.223 0.017 0.000 2.270 134 L HA 0.156 4.497 4.340 0.001 0.000 0.210 134 L C 1.569 178.451 176.870 0.020 0.000 1.104 134 L CA 1.348 56.200 54.840 0.021 0.000 0.804 134 L CB -0.302 41.771 42.059 0.023 0.000 0.937 134 L HN 0.229 nan 8.230 nan 0.000 0.450 135 S N 0.647 116.357 115.700 0.017 0.000 3.716 135 S HA 0.080 4.551 4.470 0.001 0.000 0.254 135 S C 0.122 174.730 174.600 0.014 0.000 1.209 135 S CA -0.545 57.664 58.200 0.015 0.000 1.026 135 S CB -1.347 61.861 63.200 0.013 0.000 1.625 135 S HN 0.122 nan 8.310 nan 0.000 0.500 136 V N 7.025 126.948 119.914 0.016 0.000 2.583 136 V HA 0.028 4.149 4.120 0.001 0.000 0.302 136 V C -1.658 174.444 176.094 0.012 0.000 1.033 136 V CA -0.894 61.415 62.300 0.015 0.000 1.194 136 V CB -0.606 31.227 31.823 0.017 0.000 0.879 136 V HN 0.615 nan 8.190 nan 0.000 0.482 137 P HA 0.205 nan 4.420 nan 0.000 0.271 137 P C -0.411 176.894 177.300 0.008 0.000 1.244 137 P CA -0.254 62.851 63.100 0.009 0.000 0.793 137 P CB 0.540 32.245 31.700 0.008 0.000 0.984 138 C N 0.290 119.594 119.300 0.007 0.000 2.802 138 C HA 0.714 5.175 4.460 0.001 0.000 0.307 138 C C 0.955 175.947 174.990 0.004 0.000 1.222 138 C CA 0.492 59.514 59.018 0.005 0.000 1.580 138 C CB 0.886 28.630 27.740 0.005 0.000 2.119 138 C HN 0.676 nan 8.230 nan 0.000 0.479 139 S N 0.680 116.381 115.700 0.002 0.000 1.687 139 S HA 0.052 4.523 4.470 0.001 0.000 0.152 139 S C -0.609 173.990 174.600 -0.001 0.000 0.619 139 S CA 0.666 58.866 58.200 0.000 0.000 1.520 139 S CB -0.954 62.246 63.200 0.001 0.000 0.855 139 S HN 1.009 nan 8.310 nan 0.000 0.296 140 D N 1.635 122.035 120.400 -0.000 0.000 2.357 140 D HA 0.426 5.067 4.640 0.001 0.000 0.242 140 D C 1.023 177.322 176.300 -0.003 0.000 1.153 140 D CA 0.353 54.352 54.000 -0.001 0.000 0.918 140 D CB 0.708 41.508 40.800 0.000 0.000 1.181 140 D HN 0.032 nan 8.370 nan 0.000 0.435 141 S N 0.197 115.894 115.700 -0.004 0.000 2.419 141 S HA -0.182 4.289 4.470 0.001 0.000 0.233 141 S C 1.558 176.155 174.600 -0.005 0.000 1.016 141 S CA 0.907 59.104 58.200 -0.005 0.000 0.974 141 S CB -0.322 62.874 63.200 -0.005 0.000 0.786 141 S HN 0.619 nan 8.310 nan 0.000 0.492 142 K N 1.519 121.917 120.400 -0.003 0.000 2.062 142 K HA 0.016 4.337 4.320 0.001 0.000 0.205 142 K C 2.279 178.877 176.600 -0.003 0.000 1.051 142 K CA 1.040 57.325 56.287 -0.003 0.000 0.941 142 K CB -0.326 32.174 32.500 -0.001 0.000 0.719 142 K HN 0.294 nan 8.250 nan 0.000 0.440 143 A N 1.750 124.569 122.820 -0.002 0.000 1.902 143 A HA -0.138 4.183 4.320 0.001 0.000 0.217 143 A C 2.039 179.621 177.584 -0.003 0.000 1.181 143 A CA 1.194 53.231 52.037 -0.001 0.000 0.623 143 A CB -0.494 18.507 19.000 0.001 0.000 0.818 143 A HN 0.281 nan 8.150 nan 0.000 0.443 144 I N 0.056 120.624 120.570 -0.005 0.000 2.127 144 I HA -0.298 3.873 4.170 0.001 0.000 0.241 144 I C 2.971 179.083 176.117 -0.008 0.000 1.075 144 I CA 1.689 62.984 61.300 -0.008 0.000 1.334 144 I CB -1.555 36.440 38.000 -0.010 0.000 1.040 144 I HN 0.385 nan 8.210 nan 0.000 0.405 145 A N -0.007 122.809 122.820 -0.008 0.000 1.902 145 A HA -0.274 4.047 4.320 0.001 0.000 0.217 145 A C 2.354 179.934 177.584 -0.007 0.000 1.181 145 A CA 1.918 53.950 52.037 -0.008 0.000 0.623 145 A CB -0.755 18.241 19.000 -0.007 0.000 0.818 145 A HN 0.564 nan 8.150 nan 0.000 0.443 146 Q N -0.572 119.224 119.800 -0.006 0.000 1.993 146 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 146 Q C 2.019 178.015 176.000 -0.006 0.000 0.984 146 Q CA 2.169 57.968 55.803 -0.006 0.000 0.837 146 Q CB -0.364 28.372 28.738 -0.004 0.000 0.902 146 Q HN 0.378 nan 8.270 nan 0.000 0.423 147 V N 0.592 120.504 119.914 -0.004 0.000 2.490 147 V HA -0.151 3.970 4.120 0.001 0.000 0.250 147 V C 1.994 178.086 176.094 -0.003 0.000 1.061 147 V CA 2.142 64.441 62.300 -0.003 0.000 1.064 147 V CB -0.796 31.027 31.823 -0.000 0.000 0.670 147 V HN 0.637 nan 8.190 nan 0.000 0.461 148 G N -0.170 108.627 108.800 -0.006 0.000 2.480 148 G HA2 -0.341 3.620 3.960 0.001 0.000 0.216 148 G HA3 -0.341 3.620 3.960 0.001 0.000 0.216 148 G C 1.732 176.628 174.900 -0.006 0.000 1.200 148 G CA 1.826 46.922 45.100 -0.007 0.000 0.782 148 G HN 0.607 nan 8.290 nan 0.000 0.554 149 T N -0.180 114.370 114.554 -0.008 0.000 2.788 149 T HA -0.027 4.324 4.350 0.001 0.000 0.268 149 T C 2.400 177.095 174.700 -0.009 0.000 1.044 149 T CA 1.289 63.384 62.100 -0.009 0.000 1.139 149 T CB -0.262 68.600 68.868 -0.010 0.000 0.867 149 T HN 0.258 nan 8.240 nan 0.000 0.454 150 I N 1.105 121.670 120.570 -0.009 0.000 2.286 150 I HA -0.082 4.088 4.170 0.001 0.000 0.245 150 I C 3.024 179.137 176.117 -0.006 0.000 1.104 150 I CA 1.155 62.450 61.300 -0.010 0.000 1.397 150 I CB -0.375 37.619 38.000 -0.010 0.000 1.072 150 I HN 0.302 nan 8.210 nan 0.000 0.417 151 S N 0.610 116.308 115.700 -0.002 0.000 2.406 151 S HA 0.014 4.485 4.470 0.001 0.000 0.228 151 S C 1.902 176.503 174.600 0.002 0.000 1.020 151 S CA 0.949 59.151 58.200 0.003 0.000 0.965 151 S CB -0.142 63.064 63.200 0.009 0.000 0.798 151 S HN 0.420 nan 8.310 nan 0.000 0.488 152 A N 1.497 124.317 122.820 -0.000 0.000 2.236 152 A HA 0.215 4.536 4.320 0.001 0.000 0.214 152 A C 0.966 178.547 177.584 -0.005 0.000 1.287 152 A CA 0.590 52.626 52.037 -0.001 0.000 0.909 152 A CB -1.144 17.854 19.000 -0.003 0.000 0.839 152 A HN 0.787 nan 8.150 nan 0.000 0.486 153 N N -1.467 117.230 118.700 -0.006 0.000 2.863 153 N HA -0.276 4.465 4.740 0.001 0.000 0.245 153 N C 0.074 175.577 175.510 -0.013 0.000 1.001 153 N CA 0.931 53.976 53.050 -0.009 0.000 0.901 153 N CB -1.001 37.481 38.487 -0.008 0.000 1.124 153 N HN 0.630 nan 8.380 nan 0.000 0.582 154 S N -1.066 114.626 115.700 -0.013 0.000 2.761 154 S HA -0.133 4.338 4.470 0.001 0.000 0.267 154 S C -0.587 174.006 174.600 -0.012 0.000 1.401 154 S CA 0.519 58.711 58.200 -0.015 0.000 0.984 154 S CB -1.137 62.052 63.200 -0.019 0.000 1.243 154 S HN 0.592 nan 8.310 nan 0.000 0.727 155 D N 2.265 122.659 120.400 -0.010 0.000 2.383 155 D HA 0.162 4.803 4.640 0.001 0.000 0.245 155 D C 0.820 177.114 176.300 -0.009 0.000 1.263 155 D CA 0.123 54.118 54.000 -0.009 0.000 0.936 155 D CB 0.358 41.154 40.800 -0.007 0.000 1.053 155 D HN 0.509 nan 8.370 nan 0.000 0.507 156 E N 1.589 121.783 120.200 -0.009 0.000 2.485 156 E HA -0.049 4.301 4.350 0.001 0.000 0.194 156 E C 1.474 178.070 176.600 -0.008 0.000 1.098 156 E CA 0.221 56.616 56.400 -0.009 0.000 0.878 156 E CB 0.333 30.028 29.700 -0.009 0.000 0.939 156 E HN 0.566 nan 8.360 nan 0.000 0.503 157 T N -3.443 111.106 114.554 -0.007 0.000 3.004 157 T HA -0.002 4.349 4.350 0.001 0.000 0.243 157 T C 2.044 176.739 174.700 -0.007 0.000 1.020 157 T CA 0.137 62.233 62.100 -0.007 0.000 1.145 157 T CB -0.309 68.555 68.868 -0.006 0.000 0.876 157 T HN -0.020 nan 8.240 nan 0.000 0.449 158 V N 2.155 122.065 119.914 -0.007 0.000 2.343 158 V HA 0.049 4.170 4.120 0.001 0.000 0.247 158 V C 3.090 179.179 176.094 -0.009 0.000 1.051 158 V CA 2.032 64.328 62.300 -0.007 0.000 1.036 158 V CB -1.389 30.431 31.823 -0.005 0.000 0.654 158 V HN 0.703 nan 8.190 nan 0.000 0.451 159 G N -0.627 108.168 108.800 -0.009 0.000 2.422 159 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 159 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 159 G C 1.640 176.534 174.900 -0.010 0.000 1.140 159 G CA 0.971 46.065 45.100 -0.010 0.000 0.775 159 G HN 0.496 nan 8.290 nan 0.000 0.545 160 K N -0.425 119.969 120.400 -0.009 0.000 2.057 160 K HA 0.002 4.323 4.320 0.001 0.000 0.206 160 K C 2.415 179.009 176.600 -0.010 0.000 1.050 160 K CA 0.631 56.912 56.287 -0.009 0.000 0.935 160 K CB -0.212 32.283 32.500 -0.008 0.000 0.715 160 K HN 0.175 nan 8.250 nan 0.000 0.439 161 L N 1.676 122.893 121.223 -0.011 0.000 1.990 161 L HA -0.202 4.139 4.340 0.001 0.000 0.213 161 L C 2.237 179.097 176.870 -0.015 0.000 1.072 161 L CA 1.663 56.496 54.840 -0.012 0.000 0.755 161 L CB -0.547 41.505 42.059 -0.011 0.000 0.889 161 L HN 0.243 nan 8.230 nan 0.000 0.432 162 I N -1.207 119.352 120.570 -0.017 0.000 2.179 162 I HA -0.337 3.833 4.170 0.001 0.000 0.242 162 I C 2.554 178.658 176.117 -0.022 0.000 1.088 162 I CA 1.246 62.532 61.300 -0.023 0.000 1.357 162 I CB -0.558 37.427 38.000 -0.025 0.000 1.051 162 I HN 0.266 nan 8.210 nan 0.000 0.409 163 A N 0.448 123.257 122.820 -0.017 0.000 1.858 163 A HA -0.228 4.093 4.320 0.001 0.000 0.216 163 A C 2.183 179.759 177.584 -0.014 0.000 1.190 163 A CA 1.711 53.739 52.037 -0.015 0.000 0.617 163 A CB -0.639 18.354 19.000 -0.011 0.000 0.827 163 A HN 0.451 nan 8.150 nan 0.000 0.443 164 E N -0.449 119.744 120.200 -0.013 0.000 2.418 164 E HA 0.034 4.384 4.350 0.001 0.000 0.197 164 E C 2.013 178.606 176.600 -0.013 0.000 1.026 164 E CA 0.457 56.850 56.400 -0.011 0.000 0.862 164 E CB -0.146 29.548 29.700 -0.010 0.000 0.799 164 E HN 0.644 nan 8.360 nan 0.000 0.518 165 A N 0.959 123.769 122.820 -0.016 0.000 1.850 165 A HA -0.063 4.258 4.320 0.001 0.000 0.212 165 A C 2.108 179.680 177.584 -0.020 0.000 1.208 165 A CA 0.638 52.664 52.037 -0.019 0.000 0.609 165 A CB -0.252 18.734 19.000 -0.024 0.000 0.860 165 A HN 0.079 nan 8.150 nan 0.000 0.448 166 M N -0.684 118.902 119.600 -0.023 0.000 2.117 166 M HA -0.163 4.318 4.480 0.001 0.000 0.262 166 M C 1.749 178.039 176.300 -0.017 0.000 1.065 166 M CA 2.006 57.292 55.300 -0.023 0.000 1.114 166 M CB -0.502 32.083 32.600 -0.026 0.000 1.361 166 M HN 0.475 nan 8.290 nan 0.000 0.408 167 D N 0.202 120.593 120.400 -0.014 0.000 2.264 167 D HA -0.099 4.542 4.640 0.001 0.000 0.208 167 D C 1.788 178.082 176.300 -0.009 0.000 0.966 167 D CA 1.059 55.052 54.000 -0.011 0.000 0.864 167 D CB 0.299 41.093 40.800 -0.009 0.000 0.933 167 D HN 0.255 nan 8.370 nan 0.000 0.499 168 K N -0.751 119.643 120.400 -0.010 0.000 2.141 168 K HA 0.072 4.393 4.320 0.001 0.000 0.202 168 K C 1.812 178.406 176.600 -0.009 0.000 1.045 168 K CA 0.335 56.617 56.287 -0.009 0.000 0.971 168 K CB 0.092 32.587 32.500 -0.009 0.000 0.795 168 K HN -0.026 nan 8.250 nan 0.000 0.459 169 V N 0.596 120.503 119.914 -0.011 0.000 3.052 169 V HA 0.112 4.233 4.120 0.001 0.000 0.254 169 V C 0.413 176.501 176.094 -0.011 0.000 1.100 169 V CA 1.217 63.511 62.300 -0.011 0.000 1.112 169 V CB -0.139 31.676 31.823 -0.014 0.000 0.738 169 V HN 0.611 nan 8.190 nan 0.000 0.469 170 G N -0.114 108.679 108.800 -0.012 0.000 2.730 170 G HA2 -0.211 3.750 3.960 0.001 0.000 0.686 170 G HA3 -0.211 3.750 3.960 0.001 0.000 0.686 170 G C 0.093 174.984 174.900 -0.015 0.000 1.343 170 G CA 0.122 45.215 45.100 -0.012 0.000 0.826 170 G HN 0.287 nan 8.290 nan 0.000 0.582 171 K N 0.215 120.607 120.400 -0.014 0.000 2.097 171 K HA -0.015 4.306 4.320 0.001 0.000 0.205 171 K C 2.186 178.777 176.600 -0.015 0.000 1.050 171 K CA 1.902 58.179 56.287 -0.016 0.000 0.938 171 K CB -0.035 32.458 32.500 -0.012 0.000 0.718 171 K HN 0.521 nan 8.250 nan 0.000 0.442 172 E N 0.335 120.529 120.200 -0.010 0.000 2.418 172 E HA -0.004 4.346 4.350 0.001 0.000 0.197 172 E C 0.804 177.402 176.600 -0.004 0.000 1.026 172 E CA 0.394 56.791 56.400 -0.005 0.000 0.862 172 E CB 0.023 29.720 29.700 -0.004 0.000 0.799 172 E HN 0.306 nan 8.360 nan 0.000 0.518 173 G N 0.010 108.805 108.800 -0.009 0.000 2.651 173 G HA2 0.323 4.284 3.960 0.001 0.000 0.260 173 G HA3 0.323 4.284 3.960 0.001 0.000 0.260 173 G C -0.321 174.569 174.900 -0.016 0.000 1.216 173 G CA -0.624 44.471 45.100 -0.009 0.000 0.913 173 G HN 0.008 nan 8.290 nan 0.000 0.535 174 V N 0.257 120.162 119.914 -0.016 0.000 2.481 174 V HA 0.491 4.612 4.120 0.001 0.000 0.286 174 V C -0.315 175.758 176.094 -0.035 0.000 1.042 174 V CA -0.392 61.892 62.300 -0.026 0.000 0.928 174 V CB 1.209 33.023 31.823 -0.015 0.000 0.986 174 V HN 0.485 nan 8.190 nan 0.000 0.462 175 I N 3.734 124.271 120.570 -0.055 0.000 2.533 175 I HA 0.719 4.890 4.170 0.001 0.000 0.290 175 I C 0.075 176.154 176.117 -0.064 0.000 1.056 175 I CA 0.008 61.273 61.300 -0.058 0.000 1.057 175 I CB 2.410 40.368 38.000 -0.071 0.000 1.240 175 I HN 0.851 nan 8.210 nan 0.000 0.423 176 T N 2.026 116.556 114.554 -0.041 0.000 2.843 176 T HA 0.848 5.199 4.350 0.001 0.000 0.302 176 T C -0.838 173.852 174.700 -0.016 0.000 1.232 176 T CA -0.843 61.242 62.100 -0.025 0.000 1.009 176 T CB 1.527 70.386 68.868 -0.014 0.000 1.254 176 T HN 0.192 nan 8.240 nan 0.000 0.504 177 V N 0.914 120.826 119.914 -0.004 0.000 2.732 177 V HA 0.657 4.778 4.120 0.001 0.000 0.310 177 V C -0.194 175.900 176.094 0.000 0.000 1.053 177 V CA -0.793 61.506 62.300 -0.001 0.000 0.957 177 V CB 1.590 33.417 31.823 0.006 0.000 1.018 177 V HN 0.990 nan 8.190 nan 0.000 0.452 178 E N 1.155 121.354 120.200 -0.002 0.000 2.317 178 E HA 0.340 4.691 4.350 0.001 0.000 0.270 178 E C -1.484 175.114 176.600 -0.003 0.000 0.885 178 E CA -0.877 55.521 56.400 -0.003 0.000 0.760 178 E CB 2.015 31.712 29.700 -0.006 0.000 1.227 178 E HN 0.673 nan 8.360 nan 0.000 0.434 179 D N 1.333 121.731 120.400 -0.004 0.000 2.423 179 D HA 0.085 4.726 4.640 0.001 0.000 0.238 179 D C 0.205 176.502 176.300 -0.005 0.000 1.142 179 D CA 0.289 54.286 54.000 -0.004 0.000 0.884 179 D CB 0.921 41.718 40.800 -0.005 0.000 1.199 179 D HN 0.488 nan 8.370 nan 0.000 0.438 180 G N 0.240 109.037 108.800 -0.005 0.000 2.364 180 G HA2 0.251 4.211 3.960 0.001 0.000 0.267 180 G HA3 0.251 4.211 3.960 0.001 0.000 0.267 180 G C 1.128 176.024 174.900 -0.005 0.000 1.233 180 G CA -0.322 44.775 45.100 -0.005 0.000 0.885 180 G HN 0.448 nan 8.290 nan 0.000 0.490 181 T N 1.226 115.777 114.554 -0.005 0.000 2.837 181 T HA 0.265 4.616 4.350 0.001 0.000 0.248 181 T C 1.365 176.062 174.700 -0.005 0.000 1.033 181 T CA 0.725 62.822 62.100 -0.006 0.000 1.150 181 T CB -0.119 68.746 68.868 -0.006 0.000 0.865 181 T HN 0.665 nan 8.240 nan 0.000 0.425 182 G N 0.280 109.078 108.800 -0.005 0.000 2.705 182 G HA2 0.557 4.517 3.960 0.001 0.000 0.299 182 G HA3 0.557 4.517 3.960 0.001 0.000 0.299 182 G C 0.295 175.192 174.900 -0.004 0.000 1.315 182 G CA -0.449 44.648 45.100 -0.004 0.000 1.045 182 G HN 0.276 nan 8.290 nan 0.000 0.517 183 L N -1.337 119.883 121.223 -0.004 0.000 2.127 183 L HA 0.253 4.594 4.340 0.001 0.000 0.203 183 L C 1.130 177.998 176.870 -0.004 0.000 1.080 183 L CA 1.274 56.112 54.840 -0.004 0.000 0.768 183 L CB -0.417 41.640 42.059 -0.004 0.000 0.924 183 L HN 0.317 nan 8.230 nan 0.000 0.444 184 Q N 0.867 120.665 119.800 -0.004 0.000 2.227 184 Q HA 0.215 4.556 4.340 0.001 0.000 0.245 184 Q C -0.821 175.176 176.000 -0.005 0.000 0.926 184 Q CA -0.438 55.362 55.803 -0.004 0.000 0.895 184 Q CB 1.134 29.869 28.738 -0.004 0.000 1.230 184 Q HN 0.341 nan 8.270 nan 0.000 0.450 185 D N 0.869 121.266 120.400 -0.005 0.000 2.357 185 D HA 0.147 4.788 4.640 0.001 0.000 0.242 185 D C -0.361 175.936 176.300 -0.006 0.000 1.153 185 D CA 0.095 54.092 54.000 -0.005 0.000 0.918 185 D CB 0.777 41.574 40.800 -0.006 0.000 1.181 185 D HN 0.211 nan 8.370 nan 0.000 0.435 186 E N 0.281 120.478 120.200 -0.006 0.000 2.195 186 E HA 0.462 4.813 4.350 0.001 0.000 0.271 186 E C -0.828 175.768 176.600 -0.007 0.000 0.923 186 E CA -0.825 55.571 56.400 -0.006 0.000 0.790 186 E CB 2.141 31.838 29.700 -0.006 0.000 1.155 186 E HN 0.252 nan 8.360 nan 0.000 0.402 187 L N 3.486 124.704 121.223 -0.007 0.000 2.384 187 L HA 0.311 4.652 4.340 0.001 0.000 0.261 187 L C -1.215 175.650 176.870 -0.008 0.000 1.024 187 L CA -0.530 54.305 54.840 -0.008 0.000 0.899 187 L CB 0.442 42.495 42.059 -0.009 0.000 1.243 187 L HN 0.499 nan 8.230 nan 0.000 0.449 188 D N 2.362 122.757 120.400 -0.008 0.000 2.340 188 D HA 0.537 5.178 4.640 0.001 0.000 0.251 188 D C -0.381 175.915 176.300 -0.007 0.000 1.080 188 D CA -0.059 53.937 54.000 -0.007 0.000 0.971 188 D CB 2.533 43.329 40.800 -0.006 0.000 1.137 188 D HN 0.244 nan 8.370 nan 0.000 0.475 189 V N -1.854 118.057 119.914 -0.006 0.000 2.789 189 V HA 0.861 4.982 4.120 0.001 0.000 0.311 189 V C -0.474 175.618 176.094 -0.003 0.000 1.073 189 V CA -0.751 61.545 62.300 -0.005 0.000 0.921 189 V CB 1.806 33.626 31.823 -0.005 0.000 1.009 189 V HN 0.343 nan 8.190 nan 0.000 0.426 190 V N 1.535 121.448 119.914 -0.002 0.000 3.177 190 V HA 0.531 4.651 4.120 0.001 0.000 0.287 190 V C -0.641 175.455 176.094 0.003 0.000 1.465 190 V CA -0.381 61.919 62.300 0.000 0.000 1.020 190 V CB 2.321 34.144 31.823 -0.000 0.000 1.152 190 V HN 1.167 nan 8.190 nan 0.000 0.448 191 E N 1.571 121.774 120.200 0.006 0.000 2.467 191 E HA 0.525 4.876 4.350 0.001 0.000 0.264 191 E C 0.298 176.907 176.600 0.015 0.000 1.020 191 E CA 1.890 58.296 56.400 0.011 0.000 0.945 191 E CB 0.857 30.564 29.700 0.011 0.000 0.942 191 E HN 1.276 nan 8.360 nan 0.000 0.449 192 G N 1.109 109.923 108.800 0.023 0.000 2.316 192 G HA2 0.369 4.330 3.960 0.001 0.000 0.296 192 G HA3 0.369 4.330 3.960 0.001 0.000 0.296 192 G C -1.582 173.348 174.900 0.049 0.000 1.399 192 G CA -0.747 44.374 45.100 0.034 0.000 0.833 192 G HN 0.461 nan 8.290 nan 0.000 0.565 193 M N 1.033 120.679 119.600 0.077 0.000 2.224 193 M HA 0.524 5.005 4.480 0.001 0.000 0.281 193 M C -1.044 175.343 176.300 0.144 0.000 1.025 193 M CA -0.614 54.763 55.300 0.128 0.000 0.954 193 M CB 2.048 34.751 32.600 0.172 0.000 1.639 193 M HN 0.689 nan 8.290 nan 0.000 0.461 194 Q N 4.867 124.728 119.800 0.102 0.000 2.245 194 Q HA 0.716 5.057 4.340 0.001 0.000 0.256 194 Q C -1.974 174.112 176.000 0.145 0.000 0.942 194 Q CA -0.575 55.231 55.803 0.004 0.000 0.896 194 Q CB 1.415 30.142 28.738 -0.017 0.000 1.272 194 Q HN 0.658 nan 8.270 nan 0.000 0.442 195 F N 0.222 120.186 119.950 0.023 0.000 2.615 195 F HA 0.380 4.908 4.527 0.001 0.000 0.312 195 F C -0.948 174.867 175.800 0.025 0.000 1.119 195 F CA -1.162 56.854 58.000 0.026 0.000 0.979 195 F CB 1.171 40.188 39.000 0.029 0.000 1.266 195 F HN 0.347 nan 8.300 nan 0.000 0.444 196 D N 3.151 123.665 120.400 0.190 0.000 2.934 196 D HA 0.177 4.817 4.640 0.001 0.000 0.237 196 D C -0.263 176.099 176.300 0.104 0.000 1.158 196 D CA 0.153 54.205 54.000 0.087 0.000 0.971 196 D CB 0.066 40.909 40.800 0.071 0.000 1.123 196 D HN 0.378 nan 8.370 nan 0.000 0.467 197 R N -0.330 120.246 120.500 0.127 0.000 2.599 197 R HA 0.597 4.938 4.340 0.001 0.000 0.295 197 R C 0.514 176.797 176.300 -0.028 0.000 0.963 197 R CA -0.636 55.525 56.100 0.102 0.000 0.883 197 R CB 1.940 32.392 30.300 0.253 0.000 1.171 197 R HN 0.095 nan 8.270 nan 0.000 0.450 198 G N 0.963 109.692 108.800 -0.119 0.000 2.522 198 G HA2 0.347 4.307 3.960 0.001 0.000 0.304 198 G HA3 0.347 4.307 3.960 0.001 0.000 0.304 198 G C -0.819 173.953 174.900 -0.213 0.000 1.210 198 G CA -0.602 44.302 45.100 -0.327 0.000 0.960 198 G HN 0.540 nan 8.290 nan 0.000 0.497 199 Y N -1.192 119.167 120.300 0.098 0.000 2.652 199 Y HA 0.264 4.815 4.550 0.001 0.000 0.344 199 Y C 1.129 177.134 175.900 0.175 0.000 1.254 199 Y CA -0.994 57.218 58.100 0.187 0.000 1.480 199 Y CB 0.212 38.819 38.460 0.244 0.000 1.345 199 Y HN 0.128 nan 8.280 nan 0.000 0.617 200 L N 1.220 122.718 121.223 0.459 0.000 2.492 200 L HA 0.128 4.469 4.340 0.001 0.000 0.223 200 L C 0.752 177.714 176.870 0.152 0.000 1.132 200 L CA 1.064 56.082 54.840 0.297 0.000 0.850 200 L CB -0.395 41.858 42.059 0.323 0.000 0.966 200 L HN 0.750 nan 8.230 nan 0.000 0.454 201 S N -2.191 113.516 115.700 0.011 0.000 2.543 201 S HA 0.425 4.895 4.470 0.001 0.000 0.271 201 S C -2.229 172.113 174.600 -0.430 0.000 1.148 201 S CA -0.989 56.981 58.200 -0.384 0.000 0.914 201 S CB 1.586 64.191 63.200 -0.992 0.000 1.096 201 S HN -0.235 nan 8.310 nan 0.000 0.471 202 P HA -0.020 nan 4.420 nan 0.000 0.220 202 P C 0.362 177.246 177.300 -0.693 0.000 1.148 202 P CA 1.096 63.843 63.100 -0.589 0.000 0.803 202 P CB -0.107 31.234 31.700 -0.598 0.000 0.782 203 Y N -2.697 117.379 120.300 -0.374 0.000 2.632 203 Y HA -0.018 4.532 4.550 0.001 0.000 0.301 203 Y C 1.400 177.231 175.900 -0.113 0.000 1.172 203 Y CA 0.190 58.137 58.100 -0.254 0.000 1.328 203 Y CB -0.780 37.542 38.460 -0.230 0.000 1.016 203 Y HN -0.071 nan 8.280 nan 0.000 0.529 204 F N -0.766 119.126 119.950 -0.097 0.000 2.776 204 F HA 0.162 4.690 4.527 0.002 0.000 0.300 204 F C 0.883 176.549 175.800 -0.223 0.000 1.116 204 F CA -0.792 57.138 58.000 -0.117 0.000 1.375 204 F CB -0.702 38.253 39.000 -0.075 0.000 1.109 204 F HN -0.080 nan 8.300 nan 0.000 0.585 205 I N 3.075 123.517 120.570 -0.214 0.000 2.366 205 I HA -0.061 4.110 4.170 0.001 0.000 0.302 205 I C 1.307 177.358 176.117 -0.111 0.000 1.194 205 I CA -0.089 61.051 61.300 -0.266 0.000 1.667 205 I CB -0.424 37.333 38.000 -0.406 0.000 1.501 205 I HN 0.101 nan 8.210 nan 0.000 0.776 206 N N 3.902 122.574 118.700 -0.046 0.000 2.512 206 N HA -0.130 4.611 4.740 0.001 0.000 0.183 206 N C 0.369 175.866 175.510 -0.022 0.000 1.073 206 N CA 0.764 53.804 53.050 -0.016 0.000 0.911 206 N CB 0.212 38.702 38.487 0.005 0.000 0.964 206 N HN 0.233 nan 8.380 nan 0.000 0.447 207 K N 1.699 122.080 120.400 -0.031 0.000 2.457 207 K HA 0.273 4.594 4.320 0.001 0.000 0.226 207 K C -1.783 174.793 176.600 -0.040 0.000 1.114 207 K CA -1.927 54.345 56.287 -0.026 0.000 1.089 207 K CB 1.590 34.082 32.500 -0.014 0.000 1.739 207 K HN 0.155 nan 8.250 nan 0.000 0.473 208 P HA -0.135 nan 4.420 nan 0.000 0.216 208 P C 0.882 178.151 177.300 -0.052 0.000 1.153 208 P CA 1.076 64.137 63.100 -0.066 0.000 0.848 208 P CB 0.521 32.183 31.700 -0.063 0.000 0.787 209 E N -0.385 119.793 120.200 -0.036 0.000 2.153 209 E HA -0.084 4.267 4.350 0.001 0.000 0.194 209 E C 1.848 178.432 176.600 -0.027 0.000 0.988 209 E CA 1.318 57.700 56.400 -0.029 0.000 0.811 209 E CB -0.867 28.821 29.700 -0.021 0.000 0.746 209 E HN 0.312 nan 8.360 nan 0.000 0.466 210 T N -0.731 113.808 114.554 -0.025 0.000 3.023 210 T HA 0.073 4.424 4.350 0.001 0.000 0.266 210 T C 1.300 175.982 174.700 -0.030 0.000 1.093 210 T CA 0.866 62.953 62.100 -0.022 0.000 1.129 210 T CB 0.007 68.867 68.868 -0.013 0.000 0.899 210 T HN 0.379 nan 8.240 nan 0.000 0.491 211 G N 1.301 110.082 108.800 -0.032 0.000 2.198 211 G HA2 0.057 4.018 3.960 0.001 0.000 0.257 211 G HA3 0.057 4.018 3.960 0.001 0.000 0.257 211 G C 0.021 174.933 174.900 0.019 0.000 1.042 211 G CA -0.013 45.076 45.100 -0.017 0.000 0.791 211 G HN 0.967 nan 8.290 nan 0.000 0.502 212 A N -1.474 121.345 122.820 -0.001 0.000 2.527 212 A HA 0.932 5.253 4.320 0.001 0.000 0.293 212 A C -0.382 177.202 177.584 0.001 0.000 1.117 212 A CA -0.205 51.853 52.037 0.034 0.000 0.723 212 A CB 2.013 21.026 19.000 0.021 0.000 1.313 212 A HN 1.318 nan 8.150 nan 0.000 0.411 213 V N 0.877 120.815 119.914 0.040 0.000 2.483 213 V HA 0.565 4.686 4.120 0.001 0.000 0.295 213 V C -0.314 175.795 176.094 0.025 0.000 1.035 213 V CA -0.385 61.930 62.300 0.025 0.000 0.896 213 V CB 1.297 33.158 31.823 0.063 0.000 0.986 213 V HN 0.887 nan 8.190 nan 0.000 0.447 214 E N 4.639 124.845 120.200 0.010 0.000 2.263 214 E HA 0.673 5.024 4.350 0.001 0.000 0.268 214 E C -1.635 174.963 176.600 -0.003 0.000 0.884 214 E CA -0.603 55.800 56.400 0.005 0.000 0.766 214 E CB 2.689 32.391 29.700 0.003 0.000 1.196 214 E HN 0.498 nan 8.360 nan 0.000 0.416 215 L N 3.050 124.268 121.223 -0.008 0.000 2.436 215 L HA 0.364 4.705 4.340 0.001 0.000 0.268 215 L C -0.369 176.486 176.870 -0.025 0.000 0.974 215 L CA -0.949 53.880 54.840 -0.018 0.000 0.826 215 L CB 1.824 43.871 42.059 -0.021 0.000 1.291 215 L HN 0.471 nan 8.230 nan 0.000 0.406 216 E N 1.177 121.357 120.200 -0.033 0.000 2.214 216 E HA 0.309 4.660 4.350 0.001 0.000 0.274 216 E C 0.323 176.881 176.600 -0.069 0.000 0.977 216 E CA -0.341 56.034 56.400 -0.042 0.000 0.827 216 E CB 1.617 31.295 29.700 -0.036 0.000 1.130 216 E HN 0.645 nan 8.360 nan 0.000 0.394 217 S N -0.930 114.721 115.700 -0.082 0.000 3.581 217 S HA -0.139 4.332 4.470 0.001 0.000 0.354 217 S C -2.260 172.221 174.600 -0.200 0.000 1.059 217 S CA 0.320 58.439 58.200 -0.135 0.000 1.060 217 S CB -2.374 60.738 63.200 -0.145 0.000 0.908 217 S HN 0.508 nan 8.310 nan 0.000 0.475 218 P HA 0.498 nan 4.420 nan 0.000 0.275 218 P C 0.248 177.473 177.300 -0.125 0.000 1.228 218 P CA -0.498 62.531 63.100 -0.118 0.000 0.786 218 P CB 0.220 31.902 31.700 -0.030 0.000 0.927 219 F N 1.577 121.523 119.950 -0.008 0.000 2.484 219 F HA 0.226 4.753 4.527 0.001 0.000 0.360 219 F C 1.049 176.844 175.800 -0.008 0.000 1.101 219 F CA -0.100 57.896 58.000 -0.007 0.000 1.251 219 F CB 0.232 39.227 39.000 -0.009 0.000 1.132 219 F HN 0.037 nan 8.300 nan 0.000 0.570 220 I N 5.146 125.840 120.570 0.206 0.000 2.382 220 I HA 0.183 4.354 4.170 0.001 0.000 0.286 220 I C -0.961 175.204 176.117 0.080 0.000 1.002 220 I CA -0.687 60.680 61.300 0.111 0.000 1.135 220 I CB 1.587 39.641 38.000 0.090 0.000 1.288 220 I HN 0.333 nan 8.210 nan 0.000 0.448 221 L N 8.100 129.354 121.223 0.052 0.000 2.257 221 L HA 0.523 4.864 4.340 0.001 0.000 0.290 221 L C -0.808 176.074 176.870 0.019 0.000 1.044 221 L CA -0.317 54.537 54.840 0.022 0.000 0.810 221 L CB 0.999 43.064 42.059 0.010 0.000 1.193 221 L HN 0.545 nan 8.230 nan 0.000 0.425 222 L N 5.155 126.385 121.223 0.010 0.000 2.295 222 L HA 0.678 5.019 4.340 0.001 0.000 0.285 222 L C 0.051 176.919 176.870 -0.003 0.000 1.035 222 L CA -0.494 54.347 54.840 0.003 0.000 0.806 222 L CB 1.622 43.679 42.059 -0.003 0.000 1.214 222 L HN 0.738 nan 8.230 nan 0.000 0.426 223 A N 1.454 124.272 122.820 -0.004 0.000 2.375 223 A HA 0.302 4.623 4.320 0.001 0.000 0.295 223 A C 0.014 177.592 177.584 -0.010 0.000 1.066 223 A CA -0.532 51.503 52.037 -0.004 0.000 0.722 223 A CB 1.370 20.373 19.000 0.005 0.000 1.206 223 A HN 0.842 nan 8.150 nan 0.000 0.435 224 D N 2.063 122.454 120.400 -0.015 0.000 2.224 224 D HA -0.064 4.576 4.640 0.001 0.000 0.205 224 D C 0.904 177.197 176.300 -0.011 0.000 0.965 224 D CA 1.440 55.428 54.000 -0.020 0.000 0.852 224 D CB 0.101 40.888 40.800 -0.022 0.000 0.947 224 D HN 0.692 nan 8.370 nan 0.000 0.494 225 K N -0.172 120.227 120.400 -0.002 0.000 2.102 225 K HA 0.278 4.599 4.320 0.001 0.000 0.244 225 K C -0.338 176.271 176.600 0.015 0.000 1.021 225 K CA -0.829 55.462 56.287 0.006 0.000 0.913 225 K CB 0.783 33.286 32.500 0.007 0.000 1.062 225 K HN -0.330 nan 8.250 nan 0.000 0.485 226 K N 1.268 121.681 120.400 0.021 0.000 2.412 226 K HA 0.125 4.446 4.320 0.001 0.000 0.281 226 K C -0.193 176.423 176.600 0.027 0.000 1.027 226 K CA -0.117 56.187 56.287 0.028 0.000 0.989 226 K CB 0.274 32.793 32.500 0.031 0.000 0.935 226 K HN 0.411 nan 8.250 nan 0.000 0.475 227 I N 2.671 123.261 120.570 0.032 0.000 2.428 227 I HA 0.017 4.188 4.170 0.001 0.000 0.289 227 I C 1.258 177.395 176.117 0.034 0.000 1.019 227 I CA 0.409 61.727 61.300 0.031 0.000 1.351 227 I CB 1.162 39.184 38.000 0.036 0.000 1.412 227 I HN 0.829 nan 8.210 nan 0.000 0.513 228 S N 4.794 120.511 115.700 0.028 0.000 2.979 228 S HA 0.125 4.596 4.470 0.001 0.000 0.243 228 S C 0.599 175.215 174.600 0.027 0.000 1.036 228 S CA -0.268 57.948 58.200 0.028 0.000 0.846 228 S CB 0.336 63.550 63.200 0.022 0.000 0.806 228 S HN 0.698 nan 8.310 nan 0.000 0.568 229 N N 0.856 119.569 118.700 0.022 0.000 2.466 229 N HA 0.289 5.030 4.740 0.001 0.000 0.294 229 N C 0.428 175.950 175.510 0.021 0.000 1.129 229 N CA -0.290 52.772 53.050 0.020 0.000 0.931 229 N CB 1.546 40.042 38.487 0.015 0.000 1.193 229 N HN 0.240 nan 8.380 nan 0.000 0.500 230 I N 1.242 121.824 120.570 0.021 0.000 3.176 230 I HA 0.006 4.177 4.170 0.001 0.000 0.275 230 I C 2.339 178.463 176.117 0.012 0.000 1.298 230 I CA 0.345 61.657 61.300 0.020 0.000 1.445 230 I CB -0.813 37.200 38.000 0.022 0.000 1.075 230 I HN 0.588 nan 8.210 nan 0.000 0.482 231 R N 1.937 122.443 120.500 0.009 0.000 2.196 231 R HA -0.342 3.999 4.340 0.001 0.000 0.244 231 R C 2.053 178.353 176.300 0.001 0.000 1.121 231 R CA 2.796 58.898 56.100 0.004 0.000 0.930 231 R CB -0.431 29.872 30.300 0.004 0.000 0.890 231 R HN 0.412 nan 8.270 nan 0.000 0.435 232 E N -0.104 120.097 120.200 0.002 0.000 2.097 232 E HA -0.224 4.127 4.350 0.001 0.000 0.196 232 E C 1.985 178.581 176.600 -0.006 0.000 1.000 232 E CA 2.292 58.691 56.400 -0.003 0.000 0.804 232 E CB -0.173 29.527 29.700 0.000 0.000 0.740 232 E HN 0.346 nan 8.360 nan 0.000 0.454 233 M N -0.400 119.199 119.600 -0.002 0.000 2.229 233 M HA -0.050 4.431 4.480 0.001 0.000 0.264 233 M C 1.872 178.165 176.300 -0.012 0.000 1.063 233 M CA 1.060 56.356 55.300 -0.006 0.000 1.114 233 M CB -0.296 32.306 32.600 0.004 0.000 1.387 233 M HN 0.066 nan 8.290 nan 0.000 0.420 234 L N 0.157 121.375 121.223 -0.008 0.000 1.997 234 L HA -0.245 4.096 4.340 0.001 0.000 0.216 234 L C -0.301 176.559 176.870 -0.016 0.000 1.074 234 L CA 1.748 56.583 54.840 -0.008 0.000 0.763 234 L CB -2.466 39.590 42.059 -0.005 0.000 0.890 234 L HN 0.247 nan 8.230 nan 0.000 0.434 235 P HA -0.094 nan 4.420 nan 0.000 0.217 235 P C 1.791 179.066 177.300 -0.042 0.000 1.154 235 P CA 1.699 64.783 63.100 -0.028 0.000 0.841 235 P CB -0.184 31.500 31.700 -0.027 0.000 0.788 236 V N -2.505 117.378 119.914 -0.052 0.000 2.548 236 V HA -0.140 3.981 4.120 0.001 0.000 0.249 236 V C 2.481 178.530 176.094 -0.075 0.000 1.055 236 V CA 1.129 63.379 62.300 -0.082 0.000 1.065 236 V CB -1.921 29.846 31.823 -0.093 0.000 0.681 236 V HN -0.088 nan 8.190 nan 0.000 0.462 237 L N 0.924 122.122 121.223 -0.043 0.000 2.017 237 L HA -0.100 4.241 4.340 0.001 0.000 0.208 237 L C 2.613 179.472 176.870 -0.018 0.000 1.073 237 L CA 2.442 57.268 54.840 -0.023 0.000 0.745 237 L CB -0.885 41.169 42.059 -0.009 0.000 0.894 237 L HN 0.469 nan 8.230 nan 0.000 0.432 238 E N -0.831 119.358 120.200 -0.019 0.000 2.153 238 E HA -0.218 4.133 4.350 0.001 0.000 0.194 238 E C 2.021 178.609 176.600 -0.020 0.000 0.988 238 E CA 0.967 57.358 56.400 -0.014 0.000 0.811 238 E CB -0.034 29.659 29.700 -0.013 0.000 0.746 238 E HN 0.635 nan 8.360 nan 0.000 0.466 239 A N 0.771 123.567 122.820 -0.041 0.000 1.855 239 A HA -0.155 4.166 4.320 0.001 0.000 0.215 239 A C 2.404 179.959 177.584 -0.048 0.000 1.191 239 A CA 1.788 53.791 52.037 -0.056 0.000 0.613 239 A CB -0.884 18.058 19.000 -0.096 0.000 0.829 239 A HN 0.286 nan 8.150 nan 0.000 0.442 240 V N -2.531 117.346 119.914 -0.061 0.000 2.809 240 V HA 0.063 4.183 4.120 0.001 0.000 0.256 240 V C 2.422 178.556 176.094 0.067 0.000 1.080 240 V CA 1.555 63.861 62.300 0.011 0.000 1.102 240 V CB -1.370 30.466 31.823 0.022 0.000 0.705 240 V HN 0.517 nan 8.190 nan 0.000 0.475 241 A N 0.448 123.288 122.820 0.032 0.000 2.024 241 A HA -0.162 4.159 4.320 0.001 0.000 0.220 241 A C 2.333 179.938 177.584 0.035 0.000 1.164 241 A CA 2.206 54.263 52.037 0.033 0.000 0.643 241 A CB -0.425 18.585 19.000 0.018 0.000 0.806 241 A HN 0.652 nan 8.150 nan 0.000 0.451 242 K N -1.397 119.023 120.400 0.032 0.000 2.335 242 K HA 0.296 4.617 4.320 0.001 0.000 0.195 242 K C 2.054 178.687 176.600 0.055 0.000 1.058 242 K CA 0.601 56.908 56.287 0.033 0.000 0.988 242 K CB 0.091 32.602 32.500 0.018 0.000 0.880 242 K HN 0.354 nan 8.250 nan 0.000 0.513 243 A N 0.918 123.788 122.820 0.085 0.000 2.066 243 A HA 0.100 4.421 4.320 0.001 0.000 0.218 243 A C 1.311 178.998 177.584 0.172 0.000 1.157 243 A CA 1.148 53.275 52.037 0.150 0.000 0.670 243 A CB -0.471 18.657 19.000 0.214 0.000 0.804 243 A HN 0.375 nan 8.150 nan 0.000 0.453 244 G N -0.582 108.305 108.800 0.144 0.000 2.248 244 G HA2 -0.203 3.758 3.960 0.001 0.000 0.263 244 G HA3 -0.203 3.758 3.960 0.001 0.000 0.263 244 G C -0.139 174.785 174.900 0.039 0.000 1.082 244 G CA 0.495 45.642 45.100 0.078 0.000 0.863 244 G HN 0.648 nan 8.290 nan 0.000 0.495 245 K N -0.451 119.986 120.400 0.061 0.000 2.444 245 K HA 0.620 4.941 4.320 0.001 0.000 0.252 245 K C -2.653 173.953 176.600 0.009 0.000 0.993 245 K CA -2.214 54.020 56.287 -0.088 0.000 0.847 245 K CB 2.020 34.218 32.500 -0.503 0.000 1.340 245 K HN -0.004 nan 8.250 nan 0.000 0.446 246 P HA 0.047 nan 4.420 nan 0.000 0.270 246 P C -1.120 176.218 177.300 0.063 0.000 1.223 246 P CA -0.471 62.631 63.100 0.003 0.000 0.785 246 P CB 0.444 32.127 31.700 -0.029 0.000 0.923 247 L N 3.117 124.371 121.223 0.051 0.000 2.406 247 L HA 0.380 4.721 4.340 0.001 0.000 0.270 247 L C -1.529 175.334 176.870 -0.012 0.000 0.982 247 L CA -0.642 54.242 54.840 0.073 0.000 0.843 247 L CB 1.007 43.111 42.059 0.075 0.000 1.225 247 L HN 0.288 nan 8.230 nan 0.000 0.412 248 L N 6.731 127.957 121.223 0.006 0.000 2.265 248 L HA 0.485 4.826 4.340 0.001 0.000 0.289 248 L C -0.463 176.406 176.870 -0.001 0.000 1.033 248 L CA -0.356 54.468 54.840 -0.028 0.000 0.814 248 L CB 1.530 43.590 42.059 0.003 0.000 1.203 248 L HN 0.554 nan 8.230 nan 0.000 0.423 249 I N 6.354 126.906 120.570 -0.031 0.000 2.352 249 I HA 0.270 4.441 4.170 0.001 0.000 0.290 249 I C 0.082 176.226 176.117 0.045 0.000 1.036 249 I CA -0.163 61.140 61.300 0.004 0.000 1.336 249 I CB 1.130 39.125 38.000 -0.009 0.000 1.407 249 I HN 0.446 nan 8.210 nan 0.000 0.497 250 I N 6.691 127.294 120.570 0.055 0.000 2.354 250 I HA 0.623 4.794 4.170 0.001 0.000 0.286 250 I C 0.076 176.210 176.117 0.030 0.000 1.007 250 I CA -0.182 61.158 61.300 0.067 0.000 1.167 250 I CB 1.291 39.330 38.000 0.065 0.000 1.320 250 I HN 0.629 nan 8.210 nan 0.000 0.458 251 A N 4.941 127.784 122.820 0.038 0.000 2.527 251 A HA 0.501 4.822 4.320 0.001 0.000 0.293 251 A C 0.613 178.213 177.584 0.027 0.000 1.117 251 A CA -0.510 51.542 52.037 0.026 0.000 0.723 251 A CB 1.665 20.689 19.000 0.039 0.000 1.313 251 A HN 0.630 nan 8.150 nan 0.000 0.411 252 E N -0.136 120.076 120.200 0.021 0.000 2.204 252 E HA -0.085 4.266 4.350 0.001 0.000 0.195 252 E C -0.413 176.217 176.600 0.051 0.000 0.990 252 E CA 1.578 57.997 56.400 0.031 0.000 0.821 252 E CB 0.200 29.916 29.700 0.026 0.000 0.750 252 E HN 0.620 nan 8.360 nan 0.000 0.477 253 D N -2.396 118.036 120.400 0.053 0.000 2.807 253 D HA 0.110 4.751 4.640 0.001 0.000 0.279 253 D C -1.797 174.542 176.300 0.066 0.000 1.247 253 D CA -0.438 53.601 54.000 0.065 0.000 0.749 253 D CB 1.388 42.223 40.800 0.059 0.000 1.264 253 D HN -0.261 nan 8.370 nan 0.000 0.421 254 V N 1.735 121.697 119.914 0.079 0.000 2.482 254 V HA 0.456 4.577 4.120 0.001 0.000 0.295 254 V C -0.006 176.133 176.094 0.074 0.000 1.026 254 V CA -0.779 61.568 62.300 0.080 0.000 0.856 254 V CB 1.414 33.299 31.823 0.105 0.000 1.001 254 V HN 0.492 nan 8.190 nan 0.000 0.424 255 E N 2.738 122.973 120.200 0.058 0.000 2.374 255 E HA 0.436 4.787 4.350 0.001 0.000 0.260 255 E C 1.454 178.084 176.600 0.050 0.000 1.101 255 E CA 0.821 57.251 56.400 0.049 0.000 0.907 255 E CB 1.470 31.193 29.700 0.038 0.000 1.014 255 E HN 0.658 nan 8.360 nan 0.000 0.427 256 G N 1.949 110.774 108.800 0.043 0.000 2.462 256 G HA2 -0.316 3.645 3.960 0.001 0.000 0.220 256 G HA3 -0.316 3.645 3.960 0.001 0.000 0.220 256 G C 1.246 176.168 174.900 0.037 0.000 1.121 256 G CA 1.059 46.183 45.100 0.041 0.000 0.758 256 G HN 0.652 nan 8.290 nan 0.000 0.559 257 E N 0.278 120.498 120.200 0.033 0.000 2.028 257 E HA 0.036 4.387 4.350 0.001 0.000 0.190 257 E C 2.823 179.444 176.600 0.036 0.000 0.984 257 E CA 0.872 57.289 56.400 0.029 0.000 0.800 257 E CB -0.231 29.483 29.700 0.024 0.000 0.758 257 E HN 0.302 nan 8.360 nan 0.000 0.448 258 A N 1.409 124.255 122.820 0.043 0.000 1.933 258 A HA -0.142 4.179 4.320 0.001 0.000 0.218 258 A C 2.229 179.859 177.584 0.076 0.000 1.175 258 A CA 0.978 53.047 52.037 0.053 0.000 0.628 258 A CB -0.710 18.320 19.000 0.051 0.000 0.814 258 A HN 0.419 nan 8.150 nan 0.000 0.444 259 L N -0.722 120.551 121.223 0.085 0.000 1.994 259 L HA -0.202 4.139 4.340 0.001 0.000 0.208 259 L C 2.983 179.912 176.870 0.098 0.000 1.071 259 L CA 1.507 56.416 54.840 0.115 0.000 0.745 259 L CB -0.464 41.655 42.059 0.100 0.000 0.892 259 L HN 0.432 nan 8.230 nan 0.000 0.431 260 A N -0.354 122.501 122.820 0.059 0.000 1.877 260 A HA -0.252 4.069 4.320 0.001 0.000 0.216 260 A C 2.309 179.913 177.584 0.034 0.000 1.186 260 A CA 2.494 54.551 52.037 0.033 0.000 0.620 260 A CB -1.187 17.824 19.000 0.017 0.000 0.822 260 A HN 0.616 nan 8.150 nan 0.000 0.443 261 T N -1.098 113.479 114.554 0.040 0.000 2.746 261 T HA -0.103 4.248 4.350 0.001 0.000 0.267 261 T C 1.834 176.568 174.700 0.057 0.000 1.039 261 T CA 1.508 63.630 62.100 0.036 0.000 1.142 261 T CB -0.613 68.273 68.868 0.031 0.000 0.866 261 T HN 0.284 nan 8.240 nan 0.000 0.444 262 L N 0.536 121.813 121.223 0.091 0.000 2.056 262 L HA -0.028 4.313 4.340 0.001 0.000 0.207 262 L C 2.978 179.966 176.870 0.195 0.000 1.078 262 L CA 0.775 55.696 54.840 0.135 0.000 0.749 262 L CB -0.624 41.533 42.059 0.163 0.000 0.901 262 L HN 0.162 nan 8.230 nan 0.000 0.433 263 V N -0.726 119.300 119.914 0.186 0.000 2.343 263 V HA -0.241 3.880 4.120 0.001 0.000 0.247 263 V C 2.413 178.526 176.094 0.031 0.000 1.051 263 V CA 1.459 63.836 62.300 0.129 0.000 1.036 263 V CB -0.137 31.688 31.823 0.004 0.000 0.654 263 V HN 0.192 nan 8.190 nan 0.000 0.451 264 V N 0.650 120.562 119.914 -0.003 0.000 2.490 264 V HA -0.242 3.879 4.120 0.001 0.000 0.250 264 V C 2.338 178.431 176.094 -0.001 0.000 1.061 264 V CA 2.151 64.431 62.300 -0.033 0.000 1.064 264 V CB -0.906 30.899 31.823 -0.030 0.000 0.670 264 V HN 0.600 nan 8.190 nan 0.000 0.461 265 N N 0.225 118.946 118.700 0.035 0.000 2.453 265 N HA -0.132 4.609 4.740 0.001 0.000 0.183 265 N C 1.879 177.423 175.510 0.056 0.000 1.041 265 N CA 1.769 54.844 53.050 0.042 0.000 0.900 265 N CB -0.043 38.474 38.487 0.050 0.000 0.961 265 N HN 0.744 nan 8.380 nan 0.000 0.443 266 T N -1.755 112.850 114.554 0.086 0.000 2.818 266 T HA -0.011 4.340 4.350 0.001 0.000 0.246 266 T C 1.369 176.095 174.700 0.043 0.000 1.036 266 T CA 0.286 62.446 62.100 0.100 0.000 1.160 266 T CB -0.481 68.515 68.868 0.213 0.000 0.869 266 T HN 0.231 nan 8.240 nan 0.000 0.419 267 M N 1.317 120.911 119.600 -0.010 0.000 3.254 267 M HA 0.494 4.975 4.480 0.001 0.000 0.257 267 M C 0.349 176.611 176.300 -0.064 0.000 1.490 267 M CA 0.076 55.334 55.300 -0.070 0.000 1.620 267 M CB -0.504 31.951 32.600 -0.242 0.000 1.157 267 M HN 0.473 nan 8.290 nan 0.000 0.541 268 R N 0.743 121.227 120.500 -0.027 0.000 3.762 268 R HA -0.100 4.240 4.340 0.001 0.000 0.328 268 R C -0.081 176.209 176.300 -0.016 0.000 1.164 268 R CA 0.482 56.568 56.100 -0.022 0.000 0.861 268 R CB -1.658 28.622 30.300 -0.033 0.000 1.408 268 R HN 0.986 nan 8.270 nan 0.000 0.502 269 G N -0.338 108.459 108.800 -0.006 0.000 2.702 269 G HA2 0.540 4.501 3.960 0.001 0.000 0.254 269 G HA3 0.540 4.501 3.960 0.001 0.000 0.254 269 G C 0.910 175.816 174.900 0.011 0.000 1.380 269 G CA -0.262 44.840 45.100 0.003 0.000 1.042 269 G HN 0.074 nan 8.290 nan 0.000 0.557 270 I N -0.937 119.642 120.570 0.015 0.000 2.385 270 I HA 0.091 4.262 4.170 0.001 0.000 0.244 270 I C 0.170 176.301 176.117 0.023 0.000 1.089 270 I CA 0.642 61.952 61.300 0.016 0.000 1.410 270 I CB 0.020 38.028 38.000 0.014 0.000 1.117 270 I HN -0.085 nan 8.210 nan 0.000 0.429 271 V N 1.322 121.254 119.914 0.030 0.000 2.459 271 V HA 0.206 4.327 4.120 0.001 0.000 0.295 271 V C -0.162 175.956 176.094 0.039 0.000 1.029 271 V CA -0.843 61.477 62.300 0.034 0.000 0.874 271 V CB 1.464 33.306 31.823 0.031 0.000 0.985 271 V HN 0.139 nan 8.190 nan 0.000 0.438 272 K N 3.392 123.813 120.400 0.035 0.000 2.715 272 K HA 0.211 4.532 4.320 0.001 0.000 0.248 272 K C -0.079 176.523 176.600 0.003 0.000 1.276 272 K CA -0.045 56.260 56.287 0.030 0.000 1.209 272 K CB -0.231 32.283 32.500 0.025 0.000 1.509 272 K HN 0.672 nan 8.250 nan 0.000 0.261 273 V N -1.436 118.472 119.914 -0.010 0.000 2.953 273 V HA 0.830 4.950 4.120 0.001 0.000 0.304 273 V C 0.207 176.108 176.094 -0.321 0.000 1.073 273 V CA -0.882 61.359 62.300 -0.099 0.000 1.064 273 V CB 1.447 33.236 31.823 -0.057 0.000 1.047 273 V HN 0.366 nan 8.190 nan 0.000 0.478 274 A N 2.085 124.569 122.820 -0.560 0.000 2.609 274 A HA 1.030 5.351 4.320 0.001 0.000 0.291 274 A C -0.497 176.602 177.584 -0.809 0.000 1.096 274 A CA -0.402 50.874 52.037 -1.270 0.000 0.684 274 A CB 1.566 20.159 19.000 -0.679 0.000 1.282 274 A HN 2.497 nan 8.150 nan 0.000 0.412 275 A N -0.197 122.183 122.820 -0.733 0.000 2.520 275 A HA 0.819 5.140 4.320 0.001 0.000 0.298 275 A C -0.695 176.983 177.584 0.157 0.000 1.051 275 A CA 0.023 52.007 52.037 -0.088 0.000 0.690 275 A CB 1.280 20.325 19.000 0.075 0.000 1.281 275 A HN 2.346 nan 8.150 nan 0.000 0.402 276 V N -0.948 119.060 119.914 0.156 0.000 2.962 276 V HA 0.664 4.785 4.120 0.001 0.000 0.313 276 V C -0.457 175.750 176.094 0.189 0.000 1.099 276 V CA -1.203 61.219 62.300 0.204 0.000 0.971 276 V CB 1.660 33.623 31.823 0.233 0.000 1.028 276 V HN 0.847 nan 8.190 nan 0.000 0.430 277 K N 2.147 122.657 120.400 0.184 0.000 2.326 277 K HA 0.645 4.966 4.320 0.001 0.000 0.275 277 K C 0.490 177.184 176.600 0.157 0.000 1.018 277 K CA 0.286 56.662 56.287 0.147 0.000 0.962 277 K CB 1.397 33.971 32.500 0.122 0.000 0.953 277 K HN 1.098 nan 8.250 nan 0.000 0.475 278 A N 4.649 127.483 122.820 0.024 0.000 2.386 278 A HA 0.237 4.558 4.320 0.001 0.000 0.246 278 A C -2.089 175.310 177.584 -0.308 0.000 1.089 278 A CA -1.060 50.868 52.037 -0.181 0.000 0.790 278 A CB -0.372 18.547 19.000 -0.136 0.000 1.042 278 A HN 0.493 nan 8.150 nan 0.000 0.497 279 P HA 0.414 nan 4.420 nan 0.000 0.271 279 P C 0.639 177.814 177.300 -0.207 0.000 1.218 279 P CA 1.430 64.267 63.100 -0.437 0.000 0.780 279 P CB 0.675 32.016 31.700 -0.598 0.000 0.901 280 G N 1.964 110.721 108.800 -0.073 0.000 2.584 280 G HA2 0.040 4.001 3.960 0.001 0.000 0.229 280 G HA3 0.040 4.001 3.960 0.001 0.000 0.229 280 G C -0.798 174.136 174.900 0.057 0.000 1.320 280 G CA -0.036 44.980 45.100 -0.139 0.000 0.891 280 G HN 0.802 nan 8.290 nan 0.000 0.573 281 F N -4.110 115.831 119.950 -0.015 0.000 2.952 281 F HA 0.606 5.134 4.527 0.001 0.000 0.329 281 F C 1.089 176.887 175.800 -0.003 0.000 1.137 281 F CA 0.365 58.363 58.000 -0.004 0.000 0.889 281 F CB 0.303 39.309 39.000 0.011 0.000 1.335 281 F HN 2.502 nan 8.300 nan 0.000 0.449 282 G N 1.513 110.450 108.800 0.230 0.000 2.622 282 G HA2 -0.367 3.594 3.960 0.001 0.000 0.307 282 G HA3 -0.367 3.594 3.960 0.001 0.000 0.307 282 G C 0.616 175.524 174.900 0.013 0.000 1.226 282 G CA 1.067 46.270 45.100 0.172 0.000 0.997 282 G HN 1.528 nan 8.290 nan 0.000 0.551 283 D N 0.242 120.630 120.400 -0.019 0.000 2.305 283 D HA 0.042 4.682 4.640 0.001 0.000 0.206 283 D C 2.213 178.415 176.300 -0.164 0.000 0.974 283 D CA 0.986 54.945 54.000 -0.068 0.000 0.871 283 D CB -0.196 40.586 40.800 -0.029 0.000 0.947 283 D HN 0.349 nan 8.370 nan 0.000 0.516 284 R N 1.705 122.003 120.500 -0.337 0.000 2.159 284 R HA -0.137 4.204 4.340 0.001 0.000 0.237 284 R C 2.510 178.591 176.300 -0.365 0.000 1.131 284 R CA 1.446 57.257 56.100 -0.481 0.000 0.982 284 R CB -0.582 29.034 30.300 -1.141 0.000 0.868 284 R HN 0.403 nan 8.270 nan 0.000 0.453 285 R N 0.260 120.581 120.500 -0.299 0.000 2.139 285 R HA -0.151 4.190 4.340 0.001 0.000 0.243 285 R C 1.364 177.581 176.300 -0.139 0.000 1.145 285 R CA 1.363 57.348 56.100 -0.192 0.000 0.976 285 R CB -0.404 29.821 30.300 -0.125 0.000 0.866 285 R HN 0.024 nan 8.270 nan 0.000 0.449 286 K N 1.188 121.518 120.400 -0.117 0.000 2.020 286 K HA -0.136 4.185 4.320 0.001 0.000 0.212 286 K C 2.286 178.839 176.600 -0.080 0.000 1.050 286 K CA 1.905 58.142 56.287 -0.083 0.000 0.929 286 K CB -0.611 31.849 32.500 -0.068 0.000 0.714 286 K HN 0.381 nan 8.250 nan 0.000 0.443 287 A N 1.405 124.171 122.820 -0.089 0.000 1.898 287 A HA -0.090 4.231 4.320 0.001 0.000 0.216 287 A C 2.289 179.823 177.584 -0.083 0.000 1.181 287 A CA 1.394 53.386 52.037 -0.075 0.000 0.620 287 A CB -0.332 18.625 19.000 -0.072 0.000 0.819 287 A HN 0.160 nan 8.150 nan 0.000 0.442 288 M N -1.253 118.279 119.600 -0.114 0.000 2.175 288 M HA -0.083 4.398 4.480 0.001 0.000 0.264 288 M C 2.200 178.425 176.300 -0.126 0.000 1.063 288 M CA 1.175 56.399 55.300 -0.126 0.000 1.119 288 M CB -0.840 31.659 32.600 -0.169 0.000 1.377 288 M HN 0.451 nan 8.290 nan 0.000 0.415 289 L N 0.525 121.678 121.223 -0.116 0.000 2.093 289 L HA -0.181 4.160 4.340 0.001 0.000 0.208 289 L C 2.475 179.307 176.870 -0.064 0.000 1.085 289 L CA 1.764 56.547 54.840 -0.095 0.000 0.755 289 L CB -0.612 41.399 42.059 -0.081 0.000 0.904 289 L HN 0.240 nan 8.230 nan 0.000 0.435 290 Q N -0.520 119.246 119.800 -0.055 0.000 2.224 290 Q HA -0.181 4.160 4.340 0.001 0.000 0.203 290 Q C 1.688 177.669 176.000 -0.031 0.000 0.970 290 Q CA 1.647 57.427 55.803 -0.038 0.000 0.865 290 Q CB -0.143 28.574 28.738 -0.035 0.000 0.922 290 Q HN 0.519 nan 8.270 nan 0.000 0.445 291 D N -0.107 120.270 120.400 -0.038 0.000 2.097 291 D HA -0.158 4.483 4.640 0.001 0.000 0.195 291 D C 1.768 178.060 176.300 -0.014 0.000 0.989 291 D CA 1.328 55.313 54.000 -0.026 0.000 0.827 291 D CB -0.180 40.601 40.800 -0.031 0.000 0.966 291 D HN 0.358 nan 8.370 nan 0.000 0.456 292 I N 1.039 121.594 120.570 -0.025 0.000 2.315 292 I HA -0.211 3.959 4.170 0.001 0.000 0.248 292 I C 2.454 178.573 176.117 0.004 0.000 1.117 292 I CA 0.770 62.068 61.300 -0.004 0.000 1.404 292 I CB -0.242 37.745 38.000 -0.022 0.000 1.071 292 I HN -0.080 nan 8.210 nan 0.000 0.419 293 A N 0.771 123.586 122.820 -0.008 0.000 1.883 293 A HA -0.209 4.112 4.320 0.001 0.000 0.217 293 A C 2.378 179.964 177.584 0.004 0.000 1.186 293 A CA 2.546 54.582 52.037 -0.001 0.000 0.624 293 A CB -1.078 17.916 19.000 -0.011 0.000 0.822 293 A HN 0.394 nan 8.150 nan 0.000 0.444 294 T N 0.027 114.581 114.554 0.001 0.000 2.777 294 T HA -0.104 4.247 4.350 0.001 0.000 0.266 294 T C 1.830 176.536 174.700 0.010 0.000 1.040 294 T CA 1.358 63.461 62.100 0.004 0.000 1.141 294 T CB -0.373 68.495 68.868 -0.000 0.000 0.868 294 T HN 0.301 nan 8.240 nan 0.000 0.444 295 L N 2.103 123.334 121.223 0.014 0.000 2.012 295 L HA -0.091 4.250 4.340 0.001 0.000 0.210 295 L C 2.540 179.426 176.870 0.026 0.000 1.073 295 L CA 2.320 57.172 54.840 0.021 0.000 0.748 295 L CB -1.180 40.896 42.059 0.029 0.000 0.891 295 L HN 0.441 nan 8.230 nan 0.000 0.431 296 T N -4.217 110.355 114.554 0.030 0.000 3.057 296 T HA 0.301 4.652 4.350 0.001 0.000 0.254 296 T C 1.442 176.165 174.700 0.038 0.000 1.094 296 T CA 0.374 62.497 62.100 0.038 0.000 1.088 296 T CB -0.208 68.689 68.868 0.048 0.000 0.934 296 T HN 0.693 nan 8.240 nan 0.000 0.497 297 G N 0.857 109.675 108.800 0.029 0.000 2.147 297 G HA2 -0.034 3.927 3.960 0.001 0.000 0.244 297 G HA3 -0.034 3.927 3.960 0.001 0.000 0.244 297 G C 0.384 175.301 174.900 0.028 0.000 1.005 297 G CA -0.151 44.966 45.100 0.028 0.000 0.713 297 G HN 1.003 nan 8.290 nan 0.000 0.515 298 G N -1.233 107.582 108.800 0.025 0.000 2.580 298 G HA2 0.620 4.581 3.960 0.001 0.000 0.278 298 G HA3 0.620 4.581 3.960 0.001 0.000 0.278 298 G C 0.009 174.912 174.900 0.005 0.000 1.212 298 G CA 0.460 45.571 45.100 0.018 0.000 0.939 298 G HN 0.482 nan 8.290 nan 0.000 0.513 299 T N -0.248 114.305 114.554 -0.002 0.000 2.902 299 T HA 0.351 4.702 4.350 0.001 0.000 0.283 299 T C 0.718 175.411 174.700 -0.012 0.000 1.009 299 T CA -0.300 61.795 62.100 -0.008 0.000 1.051 299 T CB 1.524 70.385 68.868 -0.011 0.000 0.999 299 T HN 0.771 nan 8.240 nan 0.000 0.474 300 V N 1.731 121.636 119.914 -0.015 0.000 1.973 300 V HA 0.345 4.466 4.120 0.001 0.000 0.255 300 V C 0.110 176.193 176.094 -0.018 0.000 1.605 300 V CA -0.557 61.730 62.300 -0.020 0.000 1.542 300 V CB -1.847 29.961 31.823 -0.025 0.000 1.504 300 V HN 0.636 nan 8.190 nan 0.000 0.505 301 I N 3.562 124.122 120.570 -0.016 0.000 2.680 301 I HA 0.186 4.357 4.170 0.001 0.000 0.286 301 I C 0.736 176.845 176.117 -0.014 0.000 1.144 301 I CA 1.424 62.715 61.300 -0.015 0.000 1.370 301 I CB -0.392 37.600 38.000 -0.014 0.000 1.420 301 I HN 0.601 nan 8.210 nan 0.000 0.540 302 S N 5.030 120.721 115.700 -0.014 0.000 2.548 302 S HA 0.227 4.698 4.470 0.001 0.000 0.276 302 S C 0.799 175.393 174.600 -0.010 0.000 1.129 302 S CA -0.869 57.323 58.200 -0.013 0.000 0.931 302 S CB 1.856 65.046 63.200 -0.016 0.000 1.068 302 S HN 0.710 nan 8.310 nan 0.000 0.480 303 E N 1.934 122.130 120.200 -0.007 0.000 2.418 303 E HA -0.134 4.217 4.350 0.001 0.000 0.197 303 E C 0.439 177.035 176.600 -0.006 0.000 1.026 303 E CA 0.952 57.349 56.400 -0.006 0.000 0.862 303 E CB -0.107 29.591 29.700 -0.003 0.000 0.799 303 E HN 0.786 nan 8.360 nan 0.000 0.518 304 E N 0.446 120.641 120.200 -0.008 0.000 2.516 304 E HA 0.034 4.385 4.350 0.001 0.000 0.199 304 E C 1.038 177.632 176.600 -0.010 0.000 1.069 304 E CA 0.434 56.829 56.400 -0.009 0.000 0.876 304 E CB -0.010 29.684 29.700 -0.011 0.000 0.843 304 E HN 0.413 nan 8.360 nan 0.000 0.530 305 I N -0.964 119.600 120.570 -0.010 0.000 3.833 305 I HA 0.236 4.407 4.170 0.001 0.000 0.328 305 I C 1.075 177.187 176.117 -0.009 0.000 1.554 305 I CA -0.182 61.112 61.300 -0.010 0.000 1.116 305 I CB 0.826 38.819 38.000 -0.012 0.000 1.182 305 I HN 0.063 nan 8.210 nan 0.000 0.459 306 G N 2.494 111.290 108.800 -0.007 0.000 2.196 306 G HA2 -0.324 3.637 3.960 0.001 0.000 0.268 306 G HA3 -0.324 3.637 3.960 0.001 0.000 0.268 306 G C 0.348 175.244 174.900 -0.007 0.000 0.975 306 G CA 0.862 45.958 45.100 -0.007 0.000 0.648 306 G HN 0.540 nan 8.290 nan 0.000 0.538 307 M N -1.063 118.532 119.600 -0.008 0.000 2.336 307 M HA 0.889 5.370 4.480 0.001 0.000 0.342 307 M C -0.438 175.856 176.300 -0.009 0.000 1.128 307 M CA -0.688 54.606 55.300 -0.009 0.000 1.016 307 M CB 1.775 34.368 32.600 -0.011 0.000 1.665 307 M HN 0.099 nan 8.290 nan 0.000 0.445 308 E N 2.062 122.257 120.200 -0.010 0.000 2.408 308 E HA 0.363 4.714 4.350 0.001 0.000 0.275 308 E C -0.182 176.411 176.600 -0.012 0.000 0.935 308 E CA -0.850 55.544 56.400 -0.009 0.000 0.775 308 E CB 2.653 32.350 29.700 -0.006 0.000 1.277 308 E HN 0.761 nan 8.360 nan 0.000 0.455 309 L N 1.020 122.236 121.223 -0.013 0.000 2.201 309 L HA -0.179 4.161 4.340 0.001 0.000 0.212 309 L C 1.549 178.407 176.870 -0.021 0.000 1.105 309 L CA 1.364 56.192 54.840 -0.019 0.000 0.775 309 L CB -0.232 41.816 42.059 -0.019 0.000 0.913 309 L HN 0.545 nan 8.230 nan 0.000 0.440 310 E N -0.031 120.159 120.200 -0.016 0.000 2.274 310 E HA -0.166 4.184 4.350 0.001 0.000 0.194 310 E C 1.455 178.045 176.600 -0.016 0.000 0.996 310 E CA 0.736 57.127 56.400 -0.016 0.000 0.840 310 E CB -0.068 29.625 29.700 -0.012 0.000 0.772 310 E HN 0.294 nan 8.360 nan 0.000 0.491 311 K N 0.268 120.659 120.400 -0.015 0.000 2.374 311 K HA 0.326 4.647 4.320 0.001 0.000 0.196 311 K C 0.536 177.126 176.600 -0.016 0.000 1.023 311 K CA 0.306 56.585 56.287 -0.014 0.000 1.103 311 K CB 0.725 33.219 32.500 -0.011 0.000 0.848 311 K HN 0.144 nan 8.250 nan 0.000 0.528 312 A N 0.387 123.195 122.820 -0.020 0.000 2.710 312 A HA 0.631 4.952 4.320 0.001 0.000 0.253 312 A C 0.025 177.592 177.584 -0.028 0.000 1.658 312 A CA -0.194 51.829 52.037 -0.023 0.000 0.851 312 A CB 0.306 19.290 19.000 -0.027 0.000 1.658 312 A HN 0.137 nan 8.150 nan 0.000 0.585 313 T N -0.981 113.553 114.554 -0.034 0.000 2.883 313 T HA 0.420 4.771 4.350 0.001 0.000 0.301 313 T C 0.567 175.232 174.700 -0.059 0.000 1.158 313 T CA -0.576 61.500 62.100 -0.040 0.000 1.007 313 T CB 1.198 70.048 68.868 -0.031 0.000 1.186 313 T HN 0.268 nan 8.240 nan 0.000 0.499 314 L N 1.643 122.822 121.223 -0.073 0.000 2.079 314 L HA -0.079 4.262 4.340 0.001 0.000 0.210 314 L C 2.607 179.395 176.870 -0.136 0.000 1.081 314 L CA 1.662 56.431 54.840 -0.119 0.000 0.752 314 L CB -0.589 41.398 42.059 -0.120 0.000 0.896 314 L HN 0.794 nan 8.230 nan 0.000 0.433 315 E N -1.313 118.837 120.200 -0.083 0.000 2.502 315 E HA -0.145 4.206 4.350 0.001 0.000 0.194 315 E C 0.793 177.372 176.600 -0.035 0.000 1.062 315 E CA 0.385 56.753 56.400 -0.054 0.000 0.867 315 E CB -0.391 29.297 29.700 -0.021 0.000 0.888 315 E HN 0.496 nan 8.360 nan 0.000 0.510 316 D N 0.750 121.124 120.400 -0.043 0.000 2.264 316 D HA -0.036 4.604 4.640 0.001 0.000 0.208 316 D C 0.511 176.798 176.300 -0.022 0.000 0.966 316 D CA 0.367 54.350 54.000 -0.028 0.000 0.864 316 D CB 0.169 40.951 40.800 -0.030 0.000 0.933 316 D HN 0.183 nan 8.370 nan 0.000 0.499 317 L N 0.246 121.447 121.223 -0.038 0.000 2.479 317 L HA 0.194 4.535 4.340 0.001 0.000 0.270 317 L C 1.448 178.344 176.870 0.044 0.000 1.236 317 L CA 0.514 55.347 54.840 -0.011 0.000 0.823 317 L CB 0.357 42.375 42.059 -0.069 0.000 1.098 317 L HN -0.161 nan 8.230 nan 0.000 0.500 318 G N -0.012 108.834 108.800 0.078 0.000 2.601 318 G HA2 0.706 4.666 3.960 0.001 0.000 0.317 318 G HA3 0.706 4.666 3.960 0.001 0.000 0.317 318 G C -1.183 173.803 174.900 0.143 0.000 1.246 318 G CA -0.375 44.780 45.100 0.092 0.000 1.012 318 G HN 0.504 nan 8.290 nan 0.000 0.494 319 Q N -1.771 118.089 119.800 0.101 0.000 2.462 319 Q HA 0.634 4.975 4.340 0.001 0.000 0.285 319 Q C -1.050 174.969 176.000 0.033 0.000 1.035 319 Q CA -0.869 54.975 55.803 0.068 0.000 0.799 319 Q CB 2.672 31.439 28.738 0.049 0.000 1.452 319 Q HN 0.884 nan 8.270 nan 0.000 0.404 320 A N 0.476 123.301 122.820 0.008 0.000 2.556 320 A HA 0.462 4.783 4.320 0.001 0.000 0.294 320 A C -0.391 177.182 177.584 -0.019 0.000 1.091 320 A CA -0.621 51.418 52.037 0.003 0.000 0.704 320 A CB 1.421 20.432 19.000 0.018 0.000 1.300 320 A HN 0.717 nan 8.150 nan 0.000 0.406 321 K N -0.255 120.136 120.400 -0.015 0.000 2.057 321 K HA 0.006 4.327 4.320 0.001 0.000 0.206 321 K C 0.478 177.063 176.600 -0.025 0.000 1.050 321 K CA 1.153 57.426 56.287 -0.024 0.000 0.935 321 K CB 0.068 32.558 32.500 -0.017 0.000 0.715 321 K HN 0.548 nan 8.250 nan 0.000 0.439 322 R N -0.181 120.310 120.500 -0.015 0.000 2.740 322 R HA 0.415 4.756 4.340 0.001 0.000 0.273 322 R C -1.811 174.485 176.300 -0.005 0.000 0.998 322 R CA -0.525 55.567 56.100 -0.013 0.000 0.900 322 R CB 2.783 33.077 30.300 -0.011 0.000 1.223 322 R HN -0.132 nan 8.270 nan 0.000 0.466 323 V N 3.401 123.311 119.914 -0.006 0.000 2.789 323 V HA 0.768 4.888 4.120 0.001 0.000 0.311 323 V C -1.233 174.858 176.094 -0.006 0.000 1.073 323 V CA -0.484 61.814 62.300 -0.003 0.000 0.921 323 V CB 2.102 33.929 31.823 0.007 0.000 1.009 323 V HN 0.585 nan 8.190 nan 0.000 0.426 324 V N 4.514 124.420 119.914 -0.013 0.000 2.925 324 V HA 0.829 4.950 4.120 0.001 0.000 0.311 324 V C -1.235 174.854 176.094 -0.008 0.000 1.104 324 V CA -0.728 61.572 62.300 0.001 0.000 0.954 324 V CB 1.899 33.729 31.823 0.011 0.000 1.022 324 V HN 0.762 nan 8.190 nan 0.000 0.427 325 I N 4.327 124.919 120.570 0.036 0.000 2.607 325 I HA 0.585 4.756 4.170 0.001 0.000 0.290 325 I C -0.250 175.937 176.117 0.117 0.000 1.129 325 I CA -0.257 61.078 61.300 0.059 0.000 1.042 325 I CB 2.171 40.256 38.000 0.141 0.000 1.242 325 I HN 0.985 nan 8.210 nan 0.000 0.421 326 N N 4.663 123.401 118.700 0.063 0.000 2.879 326 N HA 0.306 5.047 4.740 0.001 0.000 0.329 326 N C 0.565 176.091 175.510 0.027 0.000 1.337 326 N CA -0.699 52.380 53.050 0.047 0.000 0.844 326 N CB 0.627 39.048 38.487 -0.110 0.000 1.236 326 N HN 0.543 nan 8.380 nan 0.000 0.601 327 K N -1.042 119.345 120.400 -0.022 0.000 2.519 327 K HA -0.088 4.233 4.320 0.001 0.000 0.196 327 K C 0.240 176.732 176.600 -0.180 0.000 1.041 327 K CA 1.709 57.949 56.287 -0.078 0.000 0.954 327 K CB -0.019 32.466 32.500 -0.025 0.000 0.774 327 K HN 0.652 nan 8.250 nan 0.000 0.480 328 D N -2.387 117.922 120.400 -0.151 0.000 2.399 328 D HA 0.015 4.656 4.640 0.001 0.000 0.269 328 D C -0.138 176.101 176.300 -0.102 0.000 1.105 328 D CA 0.006 53.935 54.000 -0.117 0.000 0.844 328 D CB 0.706 41.472 40.800 -0.057 0.000 1.372 328 D HN -0.134 nan 8.370 nan 0.000 0.517 329 T N 0.017 114.512 114.554 -0.099 0.000 2.923 329 T HA 0.474 4.825 4.350 0.001 0.000 0.311 329 T C -0.991 173.611 174.700 -0.165 0.000 1.183 329 T CA -0.338 61.701 62.100 -0.102 0.000 1.020 329 T CB 2.446 71.294 68.868 -0.034 0.000 1.165 329 T HN -0.153 nan 8.240 nan 0.000 0.482 330 T N 1.778 116.122 114.554 -0.349 0.000 2.925 330 T HA 0.785 5.136 4.350 0.001 0.000 0.285 330 T C -0.474 173.893 174.700 -0.555 0.000 1.021 330 T CA -0.501 61.294 62.100 -0.508 0.000 1.042 330 T CB 1.715 70.060 68.868 -0.871 0.000 1.037 330 T HN 0.628 nan 8.240 nan 0.000 0.481 331 T N 1.724 116.072 114.554 -0.342 0.000 2.982 331 T HA 0.598 4.949 4.350 0.001 0.000 0.321 331 T C -1.287 173.360 174.700 -0.089 0.000 1.229 331 T CA -0.778 61.195 62.100 -0.213 0.000 1.044 331 T CB 0.460 69.262 68.868 -0.110 0.000 1.184 331 T HN 0.589 nan 8.240 nan 0.000 0.477 332 I N 2.376 122.941 120.570 -0.008 0.000 2.525 332 I HA 0.778 4.949 4.170 0.001 0.000 0.301 332 I C -0.926 175.207 176.117 0.026 0.000 0.992 332 I CA -1.140 60.180 61.300 0.032 0.000 1.162 332 I CB 1.654 39.705 38.000 0.086 0.000 1.332 332 I HN 0.522 nan 8.210 nan 0.000 0.458 333 I N 3.356 123.936 120.570 0.017 0.000 2.534 333 I HA 0.292 4.463 4.170 0.001 0.000 0.288 333 I C -0.905 175.217 176.117 0.009 0.000 1.077 333 I CA -0.506 60.800 61.300 0.010 0.000 1.051 333 I CB 1.759 39.760 38.000 0.000 0.000 1.234 333 I HN 0.713 nan 8.210 nan 0.000 0.425 334 D N 4.890 125.296 120.400 0.010 0.000 3.082 334 D HA -0.124 4.517 4.640 0.001 0.000 0.234 334 D C 0.232 176.538 176.300 0.009 0.000 1.159 334 D CA 0.992 54.996 54.000 0.007 0.000 0.875 334 D CB -0.203 40.597 40.800 0.001 0.000 0.946 334 D HN 0.857 nan 8.370 nan 0.000 0.411 335 G N 0.596 109.406 108.800 0.017 0.000 2.441 335 G HA2 0.325 4.286 3.960 0.001 0.000 0.243 335 G HA3 0.325 4.286 3.960 0.001 0.000 0.243 335 G C 1.404 176.314 174.900 0.017 0.000 1.281 335 G CA -0.273 44.840 45.100 0.021 0.000 0.854 335 G HN 0.325 nan 8.290 nan 0.000 0.560 336 V N 2.629 122.555 119.914 0.019 0.000 3.444 336 V HA 0.035 4.156 4.120 0.001 0.000 0.271 336 V C 2.082 178.188 176.094 0.020 0.000 1.188 336 V CA 0.863 63.173 62.300 0.018 0.000 1.168 336 V CB -0.990 30.846 31.823 0.021 0.000 0.810 336 V HN 0.810 nan 8.190 nan 0.000 0.500 337 G N 0.705 109.518 108.800 0.021 0.000 2.414 337 G HA2 0.125 4.085 3.960 0.001 0.000 0.236 337 G HA3 0.125 4.085 3.960 0.001 0.000 0.236 337 G C 0.012 174.920 174.900 0.013 0.000 1.293 337 G CA -0.336 44.774 45.100 0.017 0.000 0.869 337 G HN 0.296 nan 8.290 nan 0.000 0.556 338 E N 1.360 121.566 120.200 0.011 0.000 2.413 338 E HA -0.003 4.348 4.350 0.001 0.000 0.263 338 E C 1.103 177.707 176.600 0.007 0.000 1.015 338 E CA -0.256 56.149 56.400 0.008 0.000 0.916 338 E CB 0.913 30.618 29.700 0.007 0.000 0.947 338 E HN 0.519 nan 8.360 nan 0.000 0.440 339 E N 1.633 121.836 120.200 0.006 0.000 2.204 339 E HA -0.138 4.213 4.350 0.001 0.000 0.195 339 E C 1.488 178.090 176.600 0.004 0.000 0.990 339 E CA 0.986 57.388 56.400 0.005 0.000 0.821 339 E CB -0.165 29.537 29.700 0.004 0.000 0.750 339 E HN 0.548 nan 8.360 nan 0.000 0.477 340 A N 0.449 123.272 122.820 0.003 0.000 2.248 340 A HA 0.149 4.470 4.320 0.001 0.000 0.210 340 A C 1.972 179.557 177.584 0.003 0.000 1.174 340 A CA 1.329 53.367 52.037 0.003 0.000 0.750 340 A CB -0.181 18.821 19.000 0.003 0.000 0.780 340 A HN 0.220 nan 8.150 nan 0.000 0.478 341 A N -0.519 122.303 122.820 0.003 0.000 1.988 341 A HA 0.324 4.645 4.320 0.001 0.000 0.201 341 A C 1.830 179.415 177.584 0.003 0.000 1.410 341 A CA 0.601 52.639 52.037 0.003 0.000 0.832 341 A CB -0.223 18.780 19.000 0.004 0.000 0.981 341 A HN 0.327 nan 8.150 nan 0.000 0.492 342 I N 0.257 120.830 120.570 0.004 0.000 2.202 342 I HA -0.234 3.937 4.170 0.001 0.000 0.242 342 I C 2.383 178.502 176.117 0.003 0.000 1.091 342 I CA 1.091 62.394 61.300 0.005 0.000 1.368 342 I CB -0.235 37.769 38.000 0.007 0.000 1.058 342 I HN 0.275 nan 8.210 nan 0.000 0.410 343 Q N 0.667 120.469 119.800 0.003 0.000 2.224 343 Q HA -0.064 4.277 4.340 0.001 0.000 0.203 343 Q C 2.293 178.293 176.000 0.001 0.000 0.970 343 Q CA 1.447 57.251 55.803 0.002 0.000 0.865 343 Q CB -0.683 28.056 28.738 0.002 0.000 0.922 343 Q HN 0.601 nan 8.270 nan 0.000 0.445 344 G N 1.016 109.816 108.800 0.001 0.000 2.402 344 G HA2 -0.289 3.672 3.960 0.001 0.000 0.216 344 G HA3 -0.289 3.672 3.960 0.001 0.000 0.216 344 G C 1.693 176.592 174.900 -0.002 0.000 1.162 344 G CA 0.744 45.844 45.100 -0.001 0.000 0.777 344 G HN 0.244 nan 8.290 nan 0.000 0.539 345 R N 0.365 120.864 120.500 -0.001 0.000 2.092 345 R HA 0.021 4.362 4.340 0.001 0.000 0.231 345 R C 2.601 178.900 176.300 -0.003 0.000 1.119 345 R CA 1.265 57.363 56.100 -0.003 0.000 0.970 345 R CB -0.939 29.359 30.300 -0.003 0.000 0.864 345 R HN 0.217 nan 8.270 nan 0.000 0.440 346 V N 0.817 120.731 119.914 -0.001 0.000 2.287 346 V HA -0.256 3.865 4.120 0.001 0.000 0.248 346 V C 2.360 178.453 176.094 -0.001 0.000 1.053 346 V CA 2.041 64.341 62.300 -0.001 0.000 1.027 346 V CB -1.047 30.776 31.823 0.001 0.000 0.646 346 V HN 0.524 nan 8.190 nan 0.000 0.447 347 A N -0.820 121.999 122.820 -0.001 0.000 1.902 347 A HA -0.307 4.014 4.320 0.001 0.000 0.217 347 A C 2.173 179.756 177.584 -0.002 0.000 1.181 347 A CA 2.075 54.111 52.037 -0.002 0.000 0.623 347 A CB -0.522 18.477 19.000 -0.001 0.000 0.818 347 A HN 0.637 nan 8.150 nan 0.000 0.443 348 Q N -0.484 119.314 119.800 -0.003 0.000 2.061 348 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 348 Q C 2.037 178.034 176.000 -0.005 0.000 0.984 348 Q CA 1.802 57.602 55.803 -0.005 0.000 0.846 348 Q CB -0.381 28.353 28.738 -0.006 0.000 0.902 348 Q HN 0.751 nan 8.270 nan 0.000 0.421 349 I N 0.277 120.844 120.570 -0.006 0.000 2.286 349 I HA -0.261 3.910 4.170 0.001 0.000 0.248 349 I C 2.271 178.385 176.117 -0.004 0.000 1.115 349 I CA 0.808 62.105 61.300 -0.006 0.000 1.392 349 I CB -0.207 37.789 38.000 -0.007 0.000 1.065 349 I HN 0.142 nan 8.210 nan 0.000 0.418 350 R N 0.484 120.982 120.500 -0.003 0.000 2.120 350 R HA -0.188 4.153 4.340 0.001 0.000 0.234 350 R C 2.077 178.376 176.300 -0.001 0.000 1.123 350 R CA 1.156 57.255 56.100 -0.002 0.000 0.975 350 R CB -0.707 29.592 30.300 -0.001 0.000 0.866 350 R HN 0.547 nan 8.270 nan 0.000 0.446 351 Q N 0.931 120.730 119.800 -0.001 0.000 2.083 351 Q HA -0.132 4.209 4.340 0.001 0.000 0.198 351 Q C 1.771 177.771 176.000 -0.000 0.000 0.969 351 Q CA 1.176 56.978 55.803 -0.001 0.000 0.838 351 Q CB 0.120 28.857 28.738 -0.001 0.000 0.900 351 Q HN 0.388 nan 8.270 nan 0.000 0.436 352 Q N 0.123 119.923 119.800 -0.001 0.000 2.368 352 Q HA -0.147 4.194 4.340 0.001 0.000 0.210 352 Q C 1.915 177.917 176.000 0.004 0.000 0.982 352 Q CA 0.986 56.789 55.803 0.000 0.000 0.884 352 Q CB -0.089 28.648 28.738 -0.002 0.000 0.933 352 Q HN 0.510 nan 8.270 nan 0.000 0.460 353 I N 1.175 121.746 120.570 0.003 0.000 2.454 353 I HA -0.271 3.899 4.170 0.001 0.000 0.254 353 I C 2.443 178.563 176.117 0.006 0.000 1.156 353 I CA 1.220 62.523 61.300 0.005 0.000 1.433 353 I CB -0.457 37.545 38.000 0.002 0.000 1.082 353 I HN 0.331 nan 8.210 nan 0.000 0.432 354 E N 1.264 121.467 120.200 0.005 0.000 2.268 354 E HA -0.247 4.104 4.350 0.001 0.000 0.195 354 E C 1.601 178.205 176.600 0.007 0.000 0.995 354 E CA 1.042 57.445 56.400 0.005 0.000 0.836 354 E CB -0.102 29.600 29.700 0.003 0.000 0.763 354 E HN 0.401 nan 8.360 nan 0.000 0.491 355 E N 0.514 120.719 120.200 0.008 0.000 2.268 355 E HA -0.032 4.319 4.350 0.001 0.000 0.195 355 E C 1.435 178.043 176.600 0.014 0.000 0.995 355 E CA 1.427 57.833 56.400 0.010 0.000 0.836 355 E CB -0.127 29.580 29.700 0.011 0.000 0.763 355 E HN 0.471 nan 8.360 nan 0.000 0.491 356 A N -1.125 121.704 122.820 0.016 0.000 4.411 356 A HA -0.391 3.930 4.320 0.001 0.000 0.252 356 A C 1.983 179.581 177.584 0.023 0.000 0.659 356 A CA 2.420 54.467 52.037 0.017 0.000 1.147 356 A CB -2.355 16.652 19.000 0.013 0.000 1.142 356 A HN 0.374 nan 8.150 nan 0.000 0.682 357 T N -0.766 113.803 114.554 0.025 0.000 2.942 357 T HA 0.233 4.584 4.350 0.001 0.000 0.265 357 T C 1.045 175.766 174.700 0.035 0.000 1.062 357 T CA 1.362 63.477 62.100 0.025 0.000 1.139 357 T CB -0.030 68.850 68.868 0.020 0.000 0.883 357 T HN 1.068 nan 8.240 nan 0.000 0.468 358 S N 1.031 116.759 115.700 0.048 0.000 2.438 358 S HA 0.178 4.649 4.470 0.001 0.000 0.293 358 S C 0.218 174.870 174.600 0.088 0.000 1.141 358 S CA -0.737 57.506 58.200 0.072 0.000 1.080 358 S CB 0.806 64.059 63.200 0.088 0.000 0.978 358 S HN 0.144 nan 8.310 nan 0.000 0.479 359 D N 3.111 123.565 120.400 0.090 0.000 2.178 359 D HA -0.052 4.589 4.640 0.001 0.000 0.202 359 D C 1.214 177.576 176.300 0.103 0.000 0.974 359 D CA 1.171 55.218 54.000 0.078 0.000 0.841 359 D CB -0.135 40.705 40.800 0.066 0.000 0.953 359 D HN 0.783 nan 8.370 nan 0.000 0.478 360 Y N 1.486 121.799 120.300 0.021 0.000 2.145 360 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 360 Y C 1.449 177.367 175.900 0.030 0.000 1.145 360 Y CA 1.775 59.892 58.100 0.028 0.000 1.148 360 Y CB -0.103 38.378 38.460 0.034 0.000 0.981 360 Y HN -0.103 nan 8.280 nan 0.000 0.507 361 D N -0.705 119.845 120.400 0.251 0.000 2.117 361 D HA -0.156 4.485 4.640 0.001 0.000 0.197 361 D C 2.212 178.537 176.300 0.041 0.000 0.987 361 D CA 1.272 55.356 54.000 0.139 0.000 0.829 361 D CB -0.197 40.679 40.800 0.127 0.000 0.961 361 D HN 0.208 nan 8.370 nan 0.000 0.460 362 R N 0.611 121.133 120.500 0.036 0.000 2.091 362 R HA -0.171 4.170 4.340 0.001 0.000 0.238 362 R C 2.066 178.356 176.300 -0.017 0.000 1.136 362 R CA 1.392 57.498 56.100 0.011 0.000 0.959 362 R CB -0.016 30.295 30.300 0.018 0.000 0.856 362 R HN 0.237 nan 8.270 nan 0.000 0.437 363 E N -0.036 120.138 120.200 -0.043 0.000 2.107 363 E HA -0.166 4.185 4.350 0.001 0.000 0.191 363 E C 1.582 178.121 176.600 -0.102 0.000 0.982 363 E CA 0.997 57.352 56.400 -0.074 0.000 0.809 363 E CB 0.239 29.882 29.700 -0.095 0.000 0.756 363 E HN 0.037 nan 8.360 nan 0.000 0.459 364 K N 0.280 120.593 120.400 -0.145 0.000 2.283 364 K HA -0.057 4.263 4.320 0.001 0.000 0.202 364 K C 1.841 178.411 176.600 -0.051 0.000 1.048 364 K CA 0.572 56.785 56.287 -0.123 0.000 0.948 364 K CB -0.056 32.356 32.500 -0.146 0.000 0.742 364 K HN 0.162 nan 8.250 nan 0.000 0.458 365 L N -0.094 121.109 121.223 -0.033 0.000 2.072 365 L HA -0.190 4.151 4.340 0.001 0.000 0.205 365 L C 2.464 179.323 176.870 -0.018 0.000 1.079 365 L CA 1.068 55.897 54.840 -0.018 0.000 0.752 365 L CB -0.340 41.714 42.059 -0.008 0.000 0.906 365 L HN 0.161 nan 8.230 nan 0.000 0.436 366 Q N 0.753 120.539 119.800 -0.023 0.000 2.096 366 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 366 Q C 1.921 177.909 176.000 -0.019 0.000 0.982 366 Q CA 1.874 57.665 55.803 -0.020 0.000 0.850 366 Q CB -0.109 28.616 28.738 -0.022 0.000 0.901 366 Q HN 0.454 nan 8.270 nan 0.000 0.422 367 E N -0.343 119.839 120.200 -0.029 0.000 2.058 367 E HA -0.208 4.142 4.350 0.001 0.000 0.194 367 E C 2.200 178.797 176.600 -0.005 0.000 0.997 367 E CA 1.253 57.641 56.400 -0.020 0.000 0.801 367 E CB -0.140 29.540 29.700 -0.034 0.000 0.746 367 E HN 0.317 nan 8.360 nan 0.000 0.450 368 R N 0.319 120.813 120.500 -0.009 0.000 2.096 368 R HA -0.104 4.237 4.340 0.001 0.000 0.235 368 R C 2.425 178.726 176.300 0.002 0.000 1.127 368 R CA 0.966 57.065 56.100 -0.002 0.000 0.968 368 R CB -0.256 30.038 30.300 -0.010 0.000 0.861 368 R HN 0.050 nan 8.270 nan 0.000 0.440 369 V N 0.864 120.776 119.914 -0.002 0.000 2.343 369 V HA -0.246 3.875 4.120 0.001 0.000 0.247 369 V C 2.390 178.485 176.094 0.002 0.000 1.051 369 V CA 1.983 64.282 62.300 -0.001 0.000 1.036 369 V CB -0.627 31.194 31.823 -0.003 0.000 0.654 369 V HN 0.416 nan 8.190 nan 0.000 0.451 370 A N -0.454 122.367 122.820 0.002 0.000 1.858 370 A HA -0.158 4.163 4.320 0.001 0.000 0.216 370 A C 1.913 179.503 177.584 0.011 0.000 1.190 370 A CA 1.318 53.358 52.037 0.004 0.000 0.617 370 A CB -0.355 18.645 19.000 0.000 0.000 0.827 370 A HN 0.386 nan 8.150 nan 0.000 0.443 371 K N -0.797 119.615 120.400 0.020 0.000 2.743 371 K HA 0.205 4.526 4.320 0.001 0.000 0.219 371 K C 0.370 176.993 176.600 0.038 0.000 1.003 371 K CA 0.314 56.623 56.287 0.037 0.000 1.156 371 K CB -0.010 32.524 32.500 0.056 0.000 0.932 371 K HN 0.483 nan 8.250 nan 0.000 0.490 372 L N -2.087 119.151 121.223 0.024 0.000 2.208 372 L HA 0.229 4.570 4.340 0.001 0.000 0.133 372 L C 1.390 178.269 176.870 0.014 0.000 1.385 372 L CA 0.789 55.642 54.840 0.022 0.000 1.030 372 L CB -0.660 41.409 42.059 0.017 0.000 2.075 372 L HN -0.105 nan 8.230 nan 0.000 0.482 373 A N -0.213 122.612 122.820 0.009 0.000 2.067 373 A HA 0.283 4.604 4.320 0.001 0.000 0.217 373 A C 1.914 179.501 177.584 0.004 0.000 1.156 373 A CA 1.260 53.300 52.037 0.005 0.000 0.683 373 A CB -1.070 17.932 19.000 0.003 0.000 0.808 373 A HN 0.561 nan 8.150 nan 0.000 0.455 374 G N -0.865 107.938 108.800 0.004 0.000 2.404 374 G HA2 0.342 4.303 3.960 0.001 0.000 0.213 374 G HA3 0.342 4.303 3.960 0.001 0.000 0.213 374 G C 1.305 176.206 174.900 0.002 0.000 1.189 374 G CA 0.915 46.016 45.100 0.001 0.000 0.796 374 G HN 1.579 nan 8.290 nan 0.000 0.532 375 G N -1.156 107.648 108.800 0.006 0.000 2.527 375 G HA2 -0.163 3.798 3.960 0.001 0.000 0.268 375 G HA3 -0.163 3.798 3.960 0.001 0.000 0.268 375 G C -0.202 174.699 174.900 0.002 0.000 1.175 375 G CA 0.287 45.392 45.100 0.008 0.000 0.962 375 G HN 1.143 nan 8.290 nan 0.000 0.560 376 V N 0.925 120.839 119.914 -0.000 0.000 2.448 376 V HA 0.743 4.864 4.120 0.001 0.000 0.295 376 V C 0.717 176.805 176.094 -0.009 0.000 1.025 376 V CA -0.051 62.245 62.300 -0.006 0.000 0.859 376 V CB 1.150 32.970 31.823 -0.005 0.000 0.988 376 V HN 1.930 nan 8.190 nan 0.000 0.431 377 A N 4.595 127.407 122.820 -0.014 0.000 2.289 377 A HA 0.776 5.097 4.320 0.001 0.000 0.298 377 A C -0.202 177.372 177.584 -0.017 0.000 1.208 377 A CA -0.464 51.564 52.037 -0.015 0.000 0.845 377 A CB 0.915 19.904 19.000 -0.017 0.000 1.125 377 A HN 1.434 nan 8.150 nan 0.000 0.517 378 V N 1.263 121.169 119.914 -0.013 0.000 2.495 378 V HA 0.712 4.833 4.120 0.001 0.000 0.298 378 V C -0.451 175.636 176.094 -0.012 0.000 1.031 378 V CA -0.641 61.652 62.300 -0.012 0.000 0.871 378 V CB 1.161 32.978 31.823 -0.009 0.000 0.988 378 V HN 0.615 nan 8.190 nan 0.000 0.432 379 I N 4.448 125.011 120.570 -0.012 0.000 2.337 379 I HA 0.404 4.575 4.170 0.001 0.000 0.285 379 I C 0.193 176.306 176.117 -0.007 0.000 1.041 379 I CA -0.423 60.871 61.300 -0.010 0.000 1.199 379 I CB 1.115 39.108 38.000 -0.012 0.000 1.370 379 I HN 0.632 nan 8.210 nan 0.000 0.470 380 K N 5.394 125.790 120.400 -0.007 0.000 2.316 380 K HA 0.323 4.643 4.320 0.001 0.000 0.289 380 K C -0.436 176.161 176.600 -0.005 0.000 1.070 380 K CA -0.483 55.800 56.287 -0.006 0.000 0.928 380 K CB 1.286 33.783 32.500 -0.006 0.000 1.039 380 K HN 0.315 nan 8.250 nan 0.000 0.480 381 V N 2.899 122.810 119.914 -0.004 0.000 2.529 381 V HA 0.099 4.220 4.120 0.001 0.000 0.292 381 V C 0.888 176.980 176.094 -0.004 0.000 1.028 381 V CA -0.178 62.120 62.300 -0.004 0.000 1.074 381 V CB 0.844 32.665 31.823 -0.002 0.000 0.958 381 V HN 0.892 nan 8.190 nan 0.000 0.481 382 G N 3.396 112.193 108.800 -0.004 0.000 2.368 382 G HA2 0.767 4.728 3.960 0.001 0.000 0.320 382 G HA3 0.767 4.728 3.960 0.001 0.000 0.320 382 G C -0.458 174.439 174.900 -0.004 0.000 1.158 382 G CA 0.200 45.297 45.100 -0.004 0.000 0.912 382 G HN 1.208 nan 8.290 nan 0.000 0.456 383 A N 0.991 123.808 122.820 -0.004 0.000 2.586 383 A HA 0.793 5.114 4.320 0.001 0.000 0.290 383 A C 0.879 178.461 177.584 -0.003 0.000 1.086 383 A CA 0.229 52.264 52.037 -0.004 0.000 0.665 383 A CB 0.523 19.521 19.000 -0.003 0.000 1.279 383 A HN 1.773 nan 8.150 nan 0.000 0.423 384 A N -0.666 122.152 122.820 -0.003 0.000 2.121 384 A HA 0.446 4.767 4.320 0.001 0.000 0.218 384 A C 1.074 178.656 177.584 -0.003 0.000 1.154 384 A CA 2.296 54.331 52.037 -0.003 0.000 0.679 384 A CB -0.338 18.660 19.000 -0.003 0.000 0.795 384 A HN 2.079 nan 8.150 nan 0.000 0.458 385 T N -3.162 111.390 114.554 -0.003 0.000 2.775 385 T HA 0.221 4.571 4.350 0.001 0.000 0.320 385 T C 0.347 175.046 174.700 -0.003 0.000 1.597 385 T CA 0.004 62.102 62.100 -0.003 0.000 1.022 385 T CB 1.043 69.909 68.868 -0.002 0.000 1.485 385 T HN 0.227 nan 8.240 nan 0.000 0.494 386 E N 0.856 121.054 120.200 -0.003 0.000 2.130 386 E HA -0.129 4.222 4.350 0.001 0.000 0.196 386 E C 1.771 178.369 176.600 -0.002 0.000 0.998 386 E CA 1.873 58.272 56.400 -0.003 0.000 0.806 386 E CB 0.001 29.699 29.700 -0.003 0.000 0.738 386 E HN 0.489 nan 8.360 nan 0.000 0.459 387 V N 0.751 120.663 119.914 -0.002 0.000 2.427 387 V HA -0.206 3.914 4.120 0.001 0.000 0.248 387 V C 2.315 178.408 176.094 -0.002 0.000 1.051 387 V CA 2.068 64.367 62.300 -0.002 0.000 1.048 387 V CB -0.440 31.382 31.823 -0.001 0.000 0.666 387 V HN 0.302 nan 8.190 nan 0.000 0.456 388 E N -0.320 119.879 120.200 -0.002 0.000 2.112 388 E HA -0.170 4.181 4.350 0.001 0.000 0.190 388 E C 2.239 178.838 176.600 -0.002 0.000 0.979 388 E CA 0.742 57.140 56.400 -0.002 0.000 0.814 388 E CB -0.100 29.599 29.700 -0.003 0.000 0.762 388 E HN 0.469 nan 8.360 nan 0.000 0.460 389 M N 1.102 120.701 119.600 -0.002 0.000 2.108 389 M HA -0.213 4.268 4.480 0.001 0.000 0.261 389 M C 1.632 177.931 176.300 -0.001 0.000 1.066 389 M CA 1.717 57.016 55.300 -0.002 0.000 1.107 389 M CB -0.221 32.377 32.600 -0.003 0.000 1.356 389 M HN -0.050 nan 8.290 nan 0.000 0.406 390 K N -0.224 120.175 120.400 -0.002 0.000 2.280 390 K HA -0.157 4.164 4.320 0.001 0.000 0.202 390 K C 2.021 178.620 176.600 -0.001 0.000 1.047 390 K CA 1.131 57.417 56.287 -0.001 0.000 0.942 390 K CB -0.083 32.416 32.500 -0.002 0.000 0.739 390 K HN 0.461 nan 8.250 nan 0.000 0.457 391 E N 1.218 121.418 120.200 -0.001 0.000 2.060 391 E HA -0.136 4.215 4.350 0.001 0.000 0.189 391 E C 1.860 178.460 176.600 0.000 0.000 0.974 391 E CA 0.857 57.257 56.400 -0.001 0.000 0.808 391 E CB 0.200 29.899 29.700 -0.002 0.000 0.768 391 E HN 0.102 nan 8.360 nan 0.000 0.453 392 K N 1.185 121.585 120.400 -0.000 0.000 2.147 392 K HA -0.183 4.138 4.320 0.001 0.000 0.205 392 K C 2.252 178.854 176.600 0.002 0.000 1.049 392 K CA 1.282 57.569 56.287 -0.000 0.000 0.936 392 K CB -0.017 32.482 32.500 -0.002 0.000 0.722 392 K HN -0.075 nan 8.250 nan 0.000 0.446 393 K N 0.219 120.621 120.400 0.003 0.000 2.009 393 K HA -0.189 4.132 4.320 0.001 0.000 0.210 393 K C 1.986 178.593 176.600 0.011 0.000 1.049 393 K CA 1.548 57.838 56.287 0.006 0.000 0.929 393 K CB -0.253 32.250 32.500 0.005 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.440 394 A N 1.288 124.114 122.820 0.010 0.000 1.908 394 A HA -0.210 4.111 4.320 0.001 0.000 0.218 394 A C 2.137 179.729 177.584 0.015 0.000 1.181 394 A CA 1.793 53.838 52.037 0.013 0.000 0.627 394 A CB -0.616 18.388 19.000 0.007 0.000 0.818 394 A HN 0.417 nan 8.150 nan 0.000 0.445 395 R N -0.587 119.918 120.500 0.009 0.000 2.127 395 R HA -0.113 4.228 4.340 0.001 0.000 0.238 395 R C 1.827 178.132 176.300 0.009 0.000 1.134 395 R CA 1.729 57.833 56.100 0.007 0.000 0.975 395 R CB -0.291 30.010 30.300 0.002 0.000 0.865 395 R HN 0.382 nan 8.270 nan 0.000 0.447 396 V N 0.263 120.183 119.914 0.010 0.000 2.346 396 V HA -0.130 3.991 4.120 0.001 0.000 0.244 396 V C 1.933 178.039 176.094 0.021 0.000 1.037 396 V CA 1.707 64.012 62.300 0.008 0.000 1.029 396 V CB -0.370 31.455 31.823 0.003 0.000 0.663 396 V HN 0.350 nan 8.190 nan 0.000 0.454 397 E N 0.065 120.288 120.200 0.038 0.000 2.072 397 E HA -0.204 4.147 4.350 0.001 0.000 0.191 397 E C 1.922 178.602 176.600 0.133 0.000 0.985 397 E CA 1.347 57.796 56.400 0.082 0.000 0.801 397 E CB -0.133 29.617 29.700 0.083 0.000 0.750 397 E HN 0.575 nan 8.360 nan 0.000 0.452 398 D N 0.225 120.676 120.400 0.084 0.000 2.224 398 D HA -0.058 4.583 4.640 0.001 0.000 0.205 398 D C 1.826 178.167 176.300 0.068 0.000 0.965 398 D CA 0.750 54.799 54.000 0.082 0.000 0.852 398 D CB 0.121 40.944 40.800 0.040 0.000 0.947 398 D HN 0.105 nan 8.370 nan 0.000 0.494 399 A N 1.075 123.919 122.820 0.041 0.000 1.930 399 A HA -0.084 4.236 4.320 0.001 0.000 0.217 399 A C 2.226 179.815 177.584 0.008 0.000 1.175 399 A CA 0.546 52.596 52.037 0.021 0.000 0.627 399 A CB -0.589 18.416 19.000 0.008 0.000 0.815 399 A HN 0.237 nan 8.150 nan 0.000 0.443 400 L N -1.362 119.858 121.223 -0.005 0.000 2.005 400 L HA -0.183 4.158 4.340 0.001 0.000 0.207 400 L C 2.639 179.429 176.870 -0.133 0.000 1.072 400 L CA 1.672 56.463 54.840 -0.082 0.000 0.744 400 L CB -0.494 41.497 42.059 -0.113 0.000 0.895 400 L HN 0.483 nan 8.230 nan 0.000 0.433 401 H N -0.455 118.611 119.070 -0.006 0.000 2.389 401 H HA -0.080 4.477 4.556 0.002 0.000 0.299 401 H C 2.192 177.518 175.328 -0.004 0.000 1.081 401 H CA 1.284 57.329 56.048 -0.006 0.000 1.345 401 H CB -0.025 29.733 29.762 -0.006 0.000 1.393 401 H HN 0.536 nan 8.280 nan 0.000 0.520 402 A N 0.522 123.399 122.820 0.095 0.000 1.902 402 A HA -0.155 4.166 4.320 0.001 0.000 0.217 402 A C 2.590 180.187 177.584 0.022 0.000 1.181 402 A CA 2.081 54.148 52.037 0.050 0.000 0.623 402 A CB -0.806 18.216 19.000 0.037 0.000 0.818 402 A HN 0.365 nan 8.150 nan 0.000 0.443 403 T N -0.538 114.018 114.554 0.003 0.000 2.821 403 T HA -0.093 4.258 4.350 0.001 0.000 0.267 403 T C 2.039 176.728 174.700 -0.018 0.000 1.046 403 T CA 1.257 63.350 62.100 -0.012 0.000 1.139 403 T CB -0.205 68.649 68.868 -0.022 0.000 0.871 403 T HN 0.476 nan 8.240 nan 0.000 0.454 404 R N 1.093 121.573 120.500 -0.033 0.000 2.080 404 R HA -0.040 4.301 4.340 0.001 0.000 0.236 404 R C 2.872 179.174 176.300 0.003 0.000 1.137 404 R CA 1.481 57.564 56.100 -0.029 0.000 0.943 404 R CB -0.624 29.643 30.300 -0.056 0.000 0.846 404 R HN 0.374 nan 8.270 nan 0.000 0.431 405 A N 1.215 124.049 122.820 0.023 0.000 1.940 405 A HA -0.137 4.184 4.320 0.001 0.000 0.219 405 A C 2.250 179.845 177.584 0.018 0.000 1.176 405 A CA 1.742 53.796 52.037 0.028 0.000 0.631 405 A CB -0.569 18.455 19.000 0.040 0.000 0.814 405 A HN 0.441 nan 8.150 nan 0.000 0.446 406 A N -0.674 122.154 122.820 0.013 0.000 2.248 406 A HA 0.187 4.508 4.320 0.001 0.000 0.210 406 A C 1.884 179.471 177.584 0.005 0.000 1.174 406 A CA 1.279 53.321 52.037 0.008 0.000 0.750 406 A CB -0.553 18.450 19.000 0.006 0.000 0.780 406 A HN 0.362 nan 8.150 nan 0.000 0.478 407 V N -0.296 119.620 119.914 0.003 0.000 2.719 407 V HA -0.173 3.948 4.120 0.001 0.000 0.252 407 V C 2.171 178.268 176.094 0.006 0.000 1.065 407 V CA 1.932 64.233 62.300 0.002 0.000 1.086 407 V CB -0.566 31.256 31.823 -0.002 0.000 0.700 407 V HN 0.654 nan 8.190 nan 0.000 0.467 408 E N -0.142 120.063 120.200 0.009 0.000 2.122 408 E HA 0.041 4.391 4.350 0.001 0.000 0.190 408 E C 0.579 177.186 176.600 0.011 0.000 0.977 408 E CA 0.605 57.012 56.400 0.011 0.000 0.820 408 E CB 0.306 30.015 29.700 0.016 0.000 0.770 408 E HN 0.658 nan 8.360 nan 0.000 0.462 409 E N -1.001 119.206 120.200 0.012 0.000 2.456 409 E HA 0.424 4.775 4.350 0.001 0.000 0.276 409 E C -0.397 176.210 176.600 0.011 0.000 0.981 409 E CA -0.683 55.724 56.400 0.012 0.000 0.814 409 E CB 1.759 31.468 29.700 0.015 0.000 1.382 409 E HN 0.088 nan 8.360 nan 0.000 0.459 410 G N -0.204 108.603 108.800 0.011 0.000 2.504 410 G HA2 0.520 4.481 3.960 0.001 0.000 0.257 410 G HA3 0.520 4.481 3.960 0.001 0.000 0.257 410 G C -0.419 174.488 174.900 0.012 0.000 1.451 410 G CA -0.129 44.978 45.100 0.011 0.000 1.059 410 G HN 0.349 nan 8.290 nan 0.000 0.550 411 V N -2.662 117.259 119.914 0.012 0.000 3.040 411 V HA 0.870 4.990 4.120 0.001 0.000 0.312 411 V C -0.107 175.996 176.094 0.015 0.000 1.115 411 V CA -0.504 61.804 62.300 0.012 0.000 0.998 411 V CB 1.151 32.980 31.823 0.010 0.000 1.042 411 V HN 1.384 nan 8.190 nan 0.000 0.433 412 V N -0.958 118.965 119.914 0.015 0.000 3.181 412 V HA 0.961 5.082 4.120 0.001 0.000 0.308 412 V C 0.419 176.522 176.094 0.016 0.000 1.214 412 V CA -0.565 61.746 62.300 0.018 0.000 1.053 412 V CB 1.538 33.373 31.823 0.020 0.000 1.069 412 V HN 2.061 nan 8.190 nan 0.000 0.441 413 A N 1.012 123.843 122.820 0.019 0.000 3.051 413 A HA 0.493 4.814 4.320 0.001 0.000 0.275 413 A C 1.579 179.170 177.584 0.012 0.000 1.900 413 A CA 0.492 52.538 52.037 0.014 0.000 1.496 413 A CB -1.160 17.854 19.000 0.024 0.000 1.013 413 A HN 1.857 nan 8.150 nan 0.000 0.611 414 G N 1.440 110.244 108.800 0.007 0.000 2.470 414 G HA2 0.024 3.985 3.960 0.001 0.000 0.220 414 G HA3 0.024 3.985 3.960 0.001 0.000 0.220 414 G C 1.041 175.944 174.900 0.005 0.000 1.121 414 G CA 0.652 45.757 45.100 0.008 0.000 0.766 414 G HN 0.954 nan 8.290 nan 0.000 0.553 415 G N -0.097 108.701 108.800 -0.002 0.000 3.090 415 G HA2 0.424 4.385 3.960 0.001 0.000 0.259 415 G HA3 0.424 4.385 3.960 0.001 0.000 0.259 415 G C 1.342 176.247 174.900 0.009 0.000 0.797 415 G CA 0.268 45.365 45.100 -0.005 0.000 2.032 415 G HN 1.136 nan 8.290 nan 0.000 0.614 416 G N -0.281 108.528 108.800 0.016 0.000 2.562 416 G HA2 -0.428 3.533 3.960 0.001 0.000 0.241 416 G HA3 -0.428 3.533 3.960 0.001 0.000 0.241 416 G C 1.548 176.466 174.900 0.031 0.000 1.120 416 G CA 0.796 45.910 45.100 0.024 0.000 0.673 416 G HN 0.712 nan 8.290 nan 0.000 0.519 417 V N 1.521 121.455 119.914 0.033 0.000 2.324 417 V HA -0.069 4.052 4.120 0.001 0.000 0.250 417 V C 3.329 179.449 176.094 0.044 0.000 1.060 417 V CA 3.128 65.455 62.300 0.045 0.000 1.042 417 V CB -1.143 30.704 31.823 0.041 0.000 0.650 417 V HN 1.060 nan 8.190 nan 0.000 0.450 418 A N -0.178 122.663 122.820 0.035 0.000 1.877 418 A HA -0.144 4.177 4.320 0.001 0.000 0.216 418 A C 2.134 179.736 177.584 0.031 0.000 1.186 418 A CA 1.634 53.691 52.037 0.033 0.000 0.620 418 A CB -0.482 18.534 19.000 0.027 0.000 0.822 418 A HN 0.402 nan 8.150 nan 0.000 0.443 419 L N 0.004 121.244 121.223 0.028 0.000 2.017 419 L HA -0.173 4.167 4.340 0.001 0.000 0.208 419 L C 2.558 179.444 176.870 0.028 0.000 1.073 419 L CA 1.427 56.282 54.840 0.026 0.000 0.745 419 L CB -1.441 40.633 42.059 0.024 0.000 0.894 419 L HN 0.312 nan 8.230 nan 0.000 0.432 420 I N -0.145 120.444 120.570 0.033 0.000 2.151 420 I HA -0.319 3.852 4.170 0.001 0.000 0.243 420 I C 2.761 178.900 176.117 0.036 0.000 1.080 420 I CA 1.460 62.781 61.300 0.036 0.000 1.339 420 I CB -0.952 37.075 38.000 0.045 0.000 1.039 420 I HN 0.348 nan 8.210 nan 0.000 0.409 421 R N 0.868 121.393 120.500 0.040 0.000 2.073 421 R HA -0.096 4.245 4.340 0.001 0.000 0.229 421 R C 2.354 178.672 176.300 0.030 0.000 1.120 421 R CA 1.552 57.677 56.100 0.040 0.000 0.967 421 R CB -0.089 30.241 30.300 0.049 0.000 0.862 421 R HN 0.358 nan 8.270 nan 0.000 0.436 422 V N -1.825 118.105 119.914 0.027 0.000 2.759 422 V HA 0.038 4.159 4.120 0.001 0.000 0.256 422 V C 1.814 177.918 176.094 0.018 0.000 1.080 422 V CA 1.667 63.980 62.300 0.021 0.000 1.101 422 V CB -0.438 31.396 31.823 0.018 0.000 0.698 422 V HN 0.313 nan 8.190 nan 0.000 0.477 423 A N 0.617 123.448 122.820 0.019 0.000 2.218 423 A HA 0.249 4.569 4.320 0.001 0.000 0.209 423 A C 2.212 179.806 177.584 0.017 0.000 1.168 423 A CA 1.128 53.175 52.037 0.017 0.000 0.804 423 A CB -0.215 18.795 19.000 0.018 0.000 0.834 423 A HN 0.892 nan 8.150 nan 0.000 0.482 424 S N -1.611 114.100 115.700 0.019 0.000 2.663 424 S HA 0.142 4.613 4.470 0.001 0.000 0.247 424 S C 1.508 176.118 174.600 0.017 0.000 1.074 424 S CA 0.449 58.660 58.200 0.018 0.000 0.955 424 S CB -0.305 62.909 63.200 0.023 0.000 0.901 424 S HN 0.363 nan 8.310 nan 0.000 0.505 425 K N 1.321 121.732 120.400 0.018 0.000 2.281 425 K HA -0.022 4.299 4.320 0.001 0.000 0.203 425 K C 1.154 177.761 176.600 0.011 0.000 1.046 425 K CA 1.483 57.780 56.287 0.015 0.000 0.938 425 K CB -0.351 32.160 32.500 0.018 0.000 0.737 425 K HN 0.525 nan 8.250 nan 0.000 0.458 426 L N -2.935 118.294 121.223 0.010 0.000 2.700 426 L HA 0.425 4.766 4.340 0.001 0.000 0.234 426 L C 1.473 178.347 176.870 0.007 0.000 1.156 426 L CA 0.341 55.185 54.840 0.008 0.000 0.946 426 L CB -0.261 41.802 42.059 0.007 0.000 1.216 426 L HN -0.137 nan 8.230 nan 0.000 0.493 427 A N 0.150 122.975 122.820 0.008 0.000 2.084 427 A HA -0.263 4.058 4.320 0.001 0.000 0.221 427 A C 1.849 179.437 177.584 0.005 0.000 1.161 427 A CA 1.833 53.874 52.037 0.007 0.000 0.653 427 A CB -0.804 18.201 19.000 0.008 0.000 0.802 427 A HN 0.518 nan 8.150 nan 0.000 0.457 428 D N -1.255 119.147 120.400 0.004 0.000 2.363 428 D HA 0.058 4.699 4.640 0.001 0.000 0.226 428 D C 0.486 176.788 176.300 0.003 0.000 1.020 428 D CA -0.220 53.782 54.000 0.003 0.000 0.892 428 D CB -0.339 40.463 40.800 0.002 0.000 0.900 428 D HN 0.316 nan 8.370 nan 0.000 0.531 429 L N 1.385 122.610 121.223 0.003 0.000 2.578 429 L HA 0.062 4.403 4.340 0.001 0.000 0.279 429 L C -0.186 176.685 176.870 0.002 0.000 1.227 429 L CA 0.678 55.520 54.840 0.002 0.000 0.900 429 L CB 0.205 42.265 42.059 0.003 0.000 1.144 429 L HN -0.098 nan 8.230 nan 0.000 0.496 430 R N 3.685 124.185 120.500 0.001 0.000 2.832 430 R HA 0.724 5.065 4.340 0.001 0.000 0.271 430 R C -0.069 176.231 176.300 0.001 0.000 0.996 430 R CA -0.326 55.775 56.100 0.001 0.000 0.977 430 R CB 1.425 31.726 30.300 0.001 0.000 1.168 430 R HN 0.843 nan 8.270 nan 0.000 0.482 431 G N 0.210 109.011 108.800 0.001 0.000 2.552 431 G HA2 0.384 4.345 3.960 0.001 0.000 0.324 431 G HA3 0.384 4.345 3.960 0.001 0.000 0.324 431 G C -0.144 174.756 174.900 0.000 0.000 1.217 431 G CA -0.268 44.832 45.100 0.000 0.000 0.989 431 G HN 0.329 nan 8.290 nan 0.000 0.490 432 Q N -0.165 119.635 119.800 -0.000 0.000 2.050 432 Q HA 0.089 4.430 4.340 0.001 0.000 0.200 432 Q C 1.458 177.458 176.000 -0.000 0.000 0.988 432 Q CA 0.053 55.855 55.803 -0.000 0.000 0.845 432 Q CB -0.298 28.440 28.738 -0.001 0.000 0.917 432 Q HN 0.655 nan 8.270 nan 0.000 0.481 433 N N 1.448 120.147 118.700 -0.000 0.000 2.415 433 N HA -0.104 4.637 4.740 0.001 0.000 0.248 433 N C 0.768 176.278 175.510 0.000 0.000 1.271 433 N CA 0.321 53.371 53.050 -0.000 0.000 0.913 433 N CB 0.819 39.306 38.487 -0.000 0.000 1.129 433 N HN 0.368 nan 8.380 nan 0.000 0.444 434 E N 2.528 122.728 120.200 0.000 0.000 2.051 434 E HA -0.248 4.103 4.350 0.001 0.000 0.192 434 E C 0.723 177.323 176.600 0.001 0.000 0.991 434 E CA 1.869 58.269 56.400 0.000 0.000 0.799 434 E CB -0.763 28.937 29.700 0.000 0.000 0.748 434 E HN 0.703 nan 8.360 nan 0.000 0.449 435 D N 1.080 121.481 120.400 0.001 0.000 2.178 435 D HA -0.169 4.472 4.640 0.001 0.000 0.201 435 D C 2.129 178.430 176.300 0.001 0.000 0.980 435 D CA 1.366 55.367 54.000 0.001 0.000 0.842 435 D CB -0.190 40.610 40.800 0.001 0.000 0.948 435 D HN 0.254 nan 8.370 nan 0.000 0.472 436 Q N 0.215 120.016 119.800 0.001 0.000 2.123 436 Q HA -0.110 4.231 4.340 0.001 0.000 0.199 436 Q C 1.710 177.710 176.000 0.001 0.000 0.966 436 Q CA 0.756 56.560 55.803 0.001 0.000 0.845 436 Q CB 0.145 28.883 28.738 0.000 0.000 0.907 436 Q HN 0.304 nan 8.270 nan 0.000 0.439 437 N N -0.236 118.464 118.700 0.001 0.000 2.120 437 N HA -0.136 4.605 4.740 0.001 0.000 0.188 437 N C 1.884 177.395 175.510 0.002 0.000 1.024 437 N CA 1.219 54.270 53.050 0.002 0.000 0.852 437 N CB -0.010 38.478 38.487 0.001 0.000 1.003 437 N HN 0.084 nan 8.380 nan 0.000 0.424 438 V N 1.178 121.093 119.914 0.002 0.000 2.287 438 V HA -0.182 3.939 4.120 0.001 0.000 0.248 438 V C 2.527 178.623 176.094 0.003 0.000 1.053 438 V CA 2.082 64.384 62.300 0.003 0.000 1.027 438 V CB -1.200 30.624 31.823 0.003 0.000 0.646 438 V HN 0.344 nan 8.190 nan 0.000 0.447 439 G N -0.269 108.533 108.800 0.003 0.000 2.442 439 G HA2 -0.228 3.733 3.960 0.001 0.000 0.219 439 G HA3 -0.228 3.733 3.960 0.001 0.000 0.219 439 G C 1.560 176.462 174.900 0.003 0.000 1.141 439 G CA 1.108 46.210 45.100 0.003 0.000 0.763 439 G HN 0.499 nan 8.290 nan 0.000 0.554 440 I N 0.268 120.840 120.570 0.003 0.000 2.163 440 I HA -0.117 4.054 4.170 0.001 0.000 0.240 440 I C 2.656 178.776 176.117 0.005 0.000 1.081 440 I CA 1.513 62.816 61.300 0.003 0.000 1.353 440 I CB -0.154 37.847 38.000 0.003 0.000 1.054 440 I HN 0.080 nan 8.210 nan 0.000 0.407 441 K N 1.039 121.442 120.400 0.004 0.000 2.103 441 K HA -0.138 4.183 4.320 0.001 0.000 0.207 441 K C 1.858 178.461 176.600 0.006 0.000 1.048 441 K CA 1.498 57.788 56.287 0.005 0.000 0.930 441 K CB -0.545 31.957 32.500 0.005 0.000 0.716 441 K HN 0.114 nan 8.250 nan 0.000 0.444 442 V N 0.699 120.616 119.914 0.006 0.000 2.261 442 V HA -0.268 3.853 4.120 0.001 0.000 0.246 442 V C 2.341 178.439 176.094 0.008 0.000 1.047 442 V CA 2.127 64.431 62.300 0.007 0.000 1.015 442 V CB -0.931 30.896 31.823 0.006 0.000 0.642 442 V HN 0.516 nan 8.190 nan 0.000 0.446 443 A N -0.461 122.363 122.820 0.007 0.000 1.902 443 A HA -0.148 4.173 4.320 0.001 0.000 0.217 443 A C 2.197 179.787 177.584 0.009 0.000 1.181 443 A CA 1.836 53.878 52.037 0.008 0.000 0.623 443 A CB -0.538 18.465 19.000 0.006 0.000 0.818 443 A HN 0.509 nan 8.150 nan 0.000 0.443 444 L N -1.293 119.936 121.223 0.009 0.000 2.027 444 L HA -0.159 4.182 4.340 0.001 0.000 0.206 444 L C 2.798 179.675 176.870 0.012 0.000 1.074 444 L CA 1.800 56.646 54.840 0.010 0.000 0.745 444 L CB -0.535 41.530 42.059 0.009 0.000 0.898 444 L HN 0.452 nan 8.230 nan 0.000 0.433 445 R N 0.529 121.035 120.500 0.011 0.000 2.096 445 R HA -0.172 4.168 4.340 0.001 0.000 0.235 445 R C 2.334 178.641 176.300 0.013 0.000 1.127 445 R CA 1.416 57.523 56.100 0.011 0.000 0.968 445 R CB -0.245 30.061 30.300 0.010 0.000 0.861 445 R HN 0.338 nan 8.270 nan 0.000 0.440 446 A N 0.722 123.550 122.820 0.012 0.000 1.978 446 A HA -0.163 4.158 4.320 0.001 0.000 0.220 446 A C 2.082 179.675 177.584 0.016 0.000 1.170 446 A CA 1.575 53.620 52.037 0.014 0.000 0.636 446 A CB -0.425 18.583 19.000 0.014 0.000 0.810 446 A HN 0.389 nan 8.150 nan 0.000 0.448 447 M N -0.521 119.088 119.600 0.016 0.000 2.630 447 M HA -0.077 4.404 4.480 0.001 0.000 0.254 447 M C 1.399 177.711 176.300 0.020 0.000 1.092 447 M CA 0.767 56.078 55.300 0.018 0.000 1.087 447 M CB -0.275 32.335 32.600 0.018 0.000 1.453 447 M HN 0.471 nan 8.290 nan 0.000 0.509 448 E N 0.601 120.812 120.200 0.019 0.000 2.216 448 E HA -0.051 4.300 4.350 0.001 0.000 0.192 448 E C 2.161 178.772 176.600 0.019 0.000 0.988 448 E CA 0.789 57.201 56.400 0.020 0.000 0.834 448 E CB 0.022 29.732 29.700 0.018 0.000 0.772 448 E HN 0.511 nan 8.360 nan 0.000 0.479 449 A N 2.366 125.197 122.820 0.017 0.000 1.908 449 A HA -0.139 4.181 4.320 0.001 0.000 0.218 449 A C -0.312 177.282 177.584 0.017 0.000 1.181 449 A CA 1.240 53.286 52.037 0.016 0.000 0.627 449 A CB -1.414 17.595 19.000 0.015 0.000 0.818 449 A HN 0.138 nan 8.150 nan 0.000 0.445 450 P HA -0.168 nan 4.420 nan 0.000 0.214 450 P C 1.716 179.028 177.300 0.019 0.000 1.163 450 P CA 1.068 64.178 63.100 0.018 0.000 0.889 450 P CB -0.103 31.609 31.700 0.019 0.000 0.790 451 L N -0.352 120.885 121.223 0.023 0.000 2.017 451 L HA -0.110 4.231 4.340 0.001 0.000 0.208 451 L C 2.352 179.238 176.870 0.026 0.000 1.073 451 L CA 1.866 56.722 54.840 0.028 0.000 0.745 451 L CB -0.952 41.127 42.059 0.034 0.000 0.894 451 L HN -0.209 nan 8.230 nan 0.000 0.432 452 R N -1.011 119.502 120.500 0.021 0.000 2.096 452 R HA -0.203 4.138 4.340 0.001 0.000 0.235 452 R C 2.274 178.584 176.300 0.016 0.000 1.127 452 R CA 1.435 57.545 56.100 0.017 0.000 0.968 452 R CB -0.393 29.915 30.300 0.014 0.000 0.861 452 R HN 0.420 nan 8.270 nan 0.000 0.440 453 Q N 1.191 121.000 119.800 0.016 0.000 2.119 453 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 453 Q C 1.838 177.846 176.000 0.014 0.000 0.972 453 Q CA 1.397 57.208 55.803 0.014 0.000 0.847 453 Q CB -0.118 28.627 28.738 0.012 0.000 0.903 453 Q HN 0.322 nan 8.270 nan 0.000 0.433 454 I N -0.724 119.856 120.570 0.016 0.000 2.163 454 I HA -0.285 3.886 4.170 0.001 0.000 0.243 454 I C 1.998 178.129 176.117 0.023 0.000 1.085 454 I CA 1.111 62.421 61.300 0.016 0.000 1.347 454 I CB -0.269 37.741 38.000 0.017 0.000 1.044 454 I HN 0.069 nan 8.210 nan 0.000 0.408 455 V N 0.424 120.358 119.914 0.033 0.000 2.427 455 V HA -0.243 3.878 4.120 0.001 0.000 0.248 455 V C 2.311 178.424 176.094 0.030 0.000 1.051 455 V CA 1.397 63.724 62.300 0.045 0.000 1.048 455 V CB -0.488 31.361 31.823 0.044 0.000 0.666 455 V HN 0.361 nan 8.190 nan 0.000 0.456 456 L N 0.806 122.041 121.223 0.020 0.000 2.083 456 L HA -0.120 4.221 4.340 0.001 0.000 0.209 456 L C 2.154 179.031 176.870 0.013 0.000 1.083 456 L CA 1.885 56.734 54.840 0.015 0.000 0.752 456 L CB -0.878 41.188 42.059 0.012 0.000 0.899 456 L HN 0.303 nan 8.230 nan 0.000 0.433 457 N N -0.913 117.795 118.700 0.012 0.000 2.106 457 N HA -0.156 4.585 4.740 0.001 0.000 0.188 457 N C 1.847 177.362 175.510 0.008 0.000 1.029 457 N CA 1.861 54.916 53.050 0.008 0.000 0.848 457 N CB -0.828 37.663 38.487 0.006 0.000 1.007 457 N HN 0.406 nan 8.380 nan 0.000 0.423 458 C N -0.316 118.991 119.300 0.012 0.000 2.448 458 C HA 0.214 4.675 4.460 0.001 0.000 0.280 458 C C 1.307 176.307 174.990 0.016 0.000 1.398 458 C CA 0.540 59.563 59.018 0.009 0.000 1.774 458 C CB -1.209 26.537 27.740 0.009 0.000 1.888 458 C HN 0.667 nan 8.230 nan 0.000 0.519 459 G N 1.162 109.976 108.800 0.024 0.000 2.742 459 G HA2 -0.055 3.906 3.960 0.001 0.000 0.257 459 G HA3 -0.055 3.906 3.960 0.001 0.000 0.257 459 G C -0.553 174.370 174.900 0.038 0.000 1.143 459 G CA -0.027 45.087 45.100 0.024 0.000 1.064 459 G HN 0.401 nan 8.290 nan 0.000 0.529 460 E N -0.834 119.392 120.200 0.042 0.000 2.442 460 E HA 0.436 4.787 4.350 0.001 0.000 0.271 460 E C -0.861 175.746 176.600 0.012 0.000 1.002 460 E CA -0.879 55.544 56.400 0.038 0.000 0.864 460 E CB 1.202 30.949 29.700 0.078 0.000 1.573 460 E HN 0.116 nan 8.360 nan 0.000 0.456 461 E N 2.221 122.414 120.200 -0.012 0.000 2.052 461 E HA 0.207 4.557 4.350 0.001 0.000 0.283 461 E C -1.947 174.638 176.600 -0.025 0.000 1.071 461 E CA -1.945 54.444 56.400 -0.017 0.000 0.851 461 E CB 0.997 30.684 29.700 -0.021 0.000 1.066 461 E HN 0.097 nan 8.360 nan 0.000 0.396 462 P HA -0.145 nan 4.420 nan 0.000 0.217 462 P C 1.254 178.549 177.300 -0.008 0.000 1.150 462 P CA 1.343 64.440 63.100 -0.004 0.000 0.832 462 P CB 0.310 32.013 31.700 0.005 0.000 0.787 463 S N -1.618 114.077 115.700 -0.008 0.000 2.406 463 S HA -0.054 4.417 4.470 0.001 0.000 0.224 463 S C 1.966 176.559 174.600 -0.012 0.000 1.030 463 S CA 0.867 59.064 58.200 -0.005 0.000 0.958 463 S CB -1.541 61.658 63.200 -0.003 0.000 0.811 463 S HN -0.066 nan 8.310 nan 0.000 0.489 464 V N 1.940 121.840 119.914 -0.023 0.000 2.358 464 V HA -0.100 4.021 4.120 0.001 0.000 0.246 464 V C 2.675 178.743 176.094 -0.043 0.000 1.047 464 V CA 1.584 63.865 62.300 -0.031 0.000 1.035 464 V CB -0.781 31.020 31.823 -0.037 0.000 0.658 464 V HN 0.451 nan 8.190 nan 0.000 0.452 465 V N 0.340 120.206 119.914 -0.080 0.000 2.427 465 V HA -0.221 3.900 4.120 0.001 0.000 0.248 465 V C 2.699 178.788 176.094 -0.008 0.000 1.051 465 V CA 1.807 64.038 62.300 -0.115 0.000 1.048 465 V CB -1.096 30.607 31.823 -0.200 0.000 0.666 465 V HN 0.547 nan 8.190 nan 0.000 0.456 466 A N 0.727 123.549 122.820 0.003 0.000 1.883 466 A HA -0.313 4.008 4.320 0.001 0.000 0.217 466 A C 2.083 179.687 177.584 0.033 0.000 1.186 466 A CA 2.445 54.498 52.037 0.025 0.000 0.624 466 A CB -0.896 18.114 19.000 0.018 0.000 0.822 466 A HN 0.615 nan 8.150 nan 0.000 0.444 467 N N -0.336 118.375 118.700 0.019 0.000 2.223 467 N HA -0.154 4.587 4.740 0.001 0.000 0.185 467 N C 1.769 177.295 175.510 0.027 0.000 1.016 467 N CA 2.554 55.614 53.050 0.017 0.000 0.863 467 N CB -0.362 38.127 38.487 0.002 0.000 0.983 467 N HN 0.566 nan 8.380 nan 0.000 0.429 468 T N -2.677 111.900 114.554 0.039 0.000 2.812 468 T HA -0.034 4.317 4.350 0.001 0.000 0.264 468 T C 1.995 176.780 174.700 0.142 0.000 1.042 468 T CA 1.182 63.313 62.100 0.053 0.000 1.140 468 T CB -0.836 68.055 68.868 0.037 0.000 0.870 468 T HN -0.037 nan 8.240 nan 0.000 0.445 469 V N 2.039 122.055 119.914 0.169 0.000 2.407 469 V HA -0.139 3.982 4.120 0.001 0.000 0.248 469 V C 2.640 178.811 176.094 0.130 0.000 1.055 469 V CA 1.736 64.141 62.300 0.176 0.000 1.049 469 V CB -0.649 31.254 31.823 0.134 0.000 0.662 469 V HN 0.524 nan 8.190 nan 0.000 0.455 470 K N 0.280 120.730 120.400 0.084 0.000 2.442 470 K HA -0.068 4.253 4.320 0.001 0.000 0.198 470 K C 1.913 178.542 176.600 0.049 0.000 1.044 470 K CA 1.040 57.361 56.287 0.057 0.000 0.948 470 K CB -0.332 32.190 32.500 0.037 0.000 0.762 470 K HN 0.575 nan 8.250 nan 0.000 0.472 471 G N 0.562 109.396 108.800 0.056 0.000 2.880 471 G HA2 0.059 4.020 3.960 0.001 0.000 0.209 471 G HA3 0.059 4.020 3.960 0.001 0.000 0.209 471 G C 0.407 175.319 174.900 0.020 0.000 1.157 471 G CA 0.074 45.190 45.100 0.026 0.000 0.779 471 G HN 0.287 nan 8.290 nan 0.000 0.539 472 G N -1.043 107.805 108.800 0.080 0.000 2.511 472 G HA2 0.518 4.479 3.960 0.001 0.000 0.318 472 G HA3 0.518 4.479 3.960 0.001 0.000 0.318 472 G C -1.452 173.492 174.900 0.074 0.000 1.210 472 G CA -0.355 44.783 45.100 0.064 0.000 0.969 472 G HN -0.014 nan 8.290 nan 0.000 0.484 473 D N -1.189 119.235 120.400 0.041 0.000 2.595 473 D HA 0.587 5.228 4.640 0.001 0.000 0.268 473 D C 1.218 177.568 176.300 0.083 0.000 1.181 473 D CA 0.829 54.859 54.000 0.050 0.000 1.085 473 D CB 1.937 42.747 40.800 0.016 0.000 1.186 473 D HN 0.906 nan 8.370 nan 0.000 0.621 474 G N 0.784 109.623 108.800 0.065 0.000 2.583 474 G HA2 -0.287 3.674 3.960 0.001 0.000 0.292 474 G HA3 -0.287 3.674 3.960 0.001 0.000 0.292 474 G C 0.447 175.402 174.900 0.091 0.000 1.203 474 G CA 0.285 45.428 45.100 0.072 0.000 0.987 474 G HN 0.598 nan 8.290 nan 0.000 0.554 475 N N -0.009 118.756 118.700 0.107 0.000 2.234 475 N HA 0.157 4.897 4.740 0.001 0.000 0.227 475 N C -0.062 175.526 175.510 0.130 0.000 1.151 475 N CA -0.041 53.067 53.050 0.096 0.000 0.865 475 N CB 0.596 39.120 38.487 0.062 0.000 1.066 475 N HN 0.459 nan 8.380 nan 0.000 0.515 476 Y N 1.194 121.525 120.300 0.051 0.000 2.497 476 Y HA 0.351 4.902 4.550 0.001 0.000 0.334 476 Y C 0.988 176.950 175.900 0.104 0.000 1.199 476 Y CA 0.867 59.012 58.100 0.076 0.000 1.425 476 Y CB 0.486 38.989 38.460 0.072 0.000 1.291 476 Y HN 0.145 nan 8.280 nan 0.000 0.562 477 G N 3.144 111.717 108.800 -0.379 0.000 2.450 477 G HA2 0.110 4.071 3.960 0.001 0.000 0.273 477 G HA3 0.110 4.071 3.960 0.001 0.000 0.273 477 G C -2.424 172.391 174.900 -0.143 0.000 1.221 477 G CA -0.918 44.109 45.100 -0.121 0.000 0.900 477 G HN 0.507 nan 8.290 nan 0.000 0.483 478 Y N 1.847 122.008 120.300 -0.232 0.000 2.331 478 Y HA 0.602 5.153 4.550 0.001 0.000 0.338 478 Y C 0.157 175.875 175.900 -0.305 0.000 0.992 478 Y CA -1.398 56.427 58.100 -0.458 0.000 1.121 478 Y CB 1.475 39.636 38.460 -0.497 0.000 1.184 478 Y HN 0.420 nan 8.280 nan 0.000 0.469 479 N N 4.753 123.034 118.700 -0.697 0.000 2.421 479 N HA 0.068 4.809 4.740 0.001 0.000 0.260 479 N C 0.523 175.639 175.510 -0.657 0.000 1.173 479 N CA 0.608 53.334 53.050 -0.540 0.000 0.960 479 N CB 0.985 39.217 38.487 -0.425 0.000 1.273 479 N HN 0.880 nan 8.380 nan 0.000 0.497 480 A N 3.130 125.737 122.820 -0.356 0.000 2.225 480 A HA 0.024 4.345 4.320 0.001 0.000 0.215 480 A C 1.803 179.284 177.584 -0.173 0.000 1.164 480 A CA 1.421 53.334 52.037 -0.207 0.000 0.710 480 A CB -0.151 18.811 19.000 -0.064 0.000 0.780 480 A HN 0.694 nan 8.150 nan 0.000 0.473 481 A N -0.752 121.952 122.820 -0.193 0.000 1.920 481 A HA 0.108 4.429 4.320 0.001 0.000 0.209 481 A C 2.263 179.751 177.584 -0.161 0.000 1.229 481 A CA 1.767 53.720 52.037 -0.141 0.000 0.671 481 A CB -0.673 18.261 19.000 -0.110 0.000 0.886 481 A HN 0.685 nan 8.150 nan 0.000 0.461 482 T N -3.376 111.047 114.554 -0.218 0.000 3.044 482 T HA 0.238 4.589 4.350 0.001 0.000 0.250 482 T C 0.198 174.759 174.700 -0.231 0.000 1.081 482 T CA 0.851 62.838 62.100 -0.189 0.000 1.040 482 T CB -0.214 68.556 68.868 -0.162 0.000 0.962 482 T HN 0.515 nan 8.240 nan 0.000 0.506 483 E N 0.805 120.759 120.200 -0.410 0.000 2.468 483 E HA -0.123 4.228 4.350 0.001 0.000 0.264 483 E C -0.683 175.691 176.600 -0.378 0.000 1.069 483 E CA 0.387 56.524 56.400 -0.438 0.000 0.768 483 E CB -1.631 28.017 29.700 -0.087 0.000 1.332 483 E HN 0.774 nan 8.360 nan 0.000 0.398 484 E N -0.612 119.221 120.200 -0.612 0.000 2.369 484 E HA 0.520 4.870 4.350 0.001 0.000 0.270 484 E C -0.959 175.391 176.600 -0.417 0.000 0.909 484 E CA -0.889 55.336 56.400 -0.291 0.000 0.775 484 E CB 1.379 30.978 29.700 -0.169 0.000 1.270 484 E HN 0.048 nan 8.360 nan 0.000 0.445 485 Y N -0.052 120.257 120.300 0.015 0.000 2.361 485 Y HA 0.682 5.233 4.550 0.001 0.000 0.332 485 Y C 0.790 176.580 175.900 -0.185 0.000 1.101 485 Y CA 0.104 58.162 58.100 -0.070 0.000 1.137 485 Y CB 2.189 40.688 38.460 0.066 0.000 1.207 485 Y HN 0.674 nan 8.280 nan 0.000 0.463 486 G N 1.340 109.933 108.800 -0.346 0.000 2.317 486 G HA2 0.037 3.997 3.960 0.001 0.000 0.293 486 G HA3 0.037 3.997 3.960 0.001 0.000 0.293 486 G C -1.871 172.875 174.900 -0.257 0.000 1.287 486 G CA -1.321 43.661 45.100 -0.196 0.000 0.850 486 G HN 0.487 nan 8.290 nan 0.000 0.515 487 N N 0.834 119.549 118.700 0.024 0.000 2.452 487 N HA 0.138 4.879 4.740 0.001 0.000 0.266 487 N C 1.829 177.323 175.510 -0.027 0.000 1.209 487 N CA -0.272 52.803 53.050 0.042 0.000 0.929 487 N CB 0.583 39.125 38.487 0.091 0.000 1.063 487 N HN 0.374 nan 8.380 nan 0.000 0.472 488 M N 3.516 123.092 119.600 -0.040 0.000 2.213 488 M HA -0.128 4.353 4.480 0.001 0.000 0.263 488 M C 1.477 177.761 176.300 -0.026 0.000 1.062 488 M CA 1.144 56.414 55.300 -0.049 0.000 1.105 488 M CB -0.552 32.026 32.600 -0.037 0.000 1.385 488 M HN 0.628 nan 8.290 nan 0.000 0.417 489 I N -0.171 120.397 120.570 -0.004 0.000 2.233 489 I HA -0.265 3.906 4.170 0.001 0.000 0.243 489 I C 2.048 178.163 176.117 -0.002 0.000 1.093 489 I CA 1.014 62.314 61.300 0.001 0.000 1.380 489 I CB -0.472 37.536 38.000 0.013 0.000 1.067 489 I HN 0.253 nan 8.210 nan 0.000 0.413 490 D N 0.810 121.212 120.400 0.003 0.000 2.149 490 D HA -0.184 4.456 4.640 0.001 0.000 0.198 490 D C 2.206 178.498 176.300 -0.014 0.000 0.990 490 D CA 1.497 55.498 54.000 0.001 0.000 0.839 490 D CB -0.068 40.740 40.800 0.013 0.000 0.948 490 D HN 0.365 nan 8.370 nan 0.000 0.460 491 M N -0.700 118.883 119.600 -0.028 0.000 2.562 491 M HA 0.027 4.508 4.480 0.001 0.000 0.257 491 M C 1.338 177.610 176.300 -0.046 0.000 1.099 491 M CA 0.868 56.140 55.300 -0.048 0.000 1.099 491 M CB 0.429 32.982 32.600 -0.078 0.000 1.427 491 M HN 0.108 nan 8.290 nan 0.000 0.489 492 G N 0.847 109.627 108.800 -0.034 0.000 2.141 492 G HA2 -0.189 3.772 3.960 0.001 0.000 0.242 492 G HA3 -0.189 3.772 3.960 0.001 0.000 0.242 492 G C 0.151 175.032 174.900 -0.033 0.000 0.982 492 G CA -0.307 44.776 45.100 -0.029 0.000 0.662 492 G HN 0.382 nan 8.290 nan 0.000 0.527 493 I N 1.546 122.092 120.570 -0.041 0.000 2.664 493 I HA 0.389 4.560 4.170 0.001 0.000 0.291 493 I C 0.710 176.811 176.117 -0.027 0.000 1.120 493 I CA -0.391 60.883 61.300 -0.044 0.000 1.503 493 I CB -1.184 36.775 38.000 -0.069 0.000 1.506 493 I HN 0.334 nan 8.210 nan 0.000 0.621 494 L N -0.838 120.375 121.223 -0.017 0.000 2.322 494 L HA 0.796 5.137 4.340 0.001 0.000 0.269 494 L C -0.559 176.310 176.870 -0.001 0.000 1.012 494 L CA -0.465 54.372 54.840 -0.006 0.000 0.815 494 L CB 1.237 43.294 42.059 -0.003 0.000 1.295 494 L HN -0.163 nan 8.230 nan 0.000 0.438 495 D N 0.903 121.306 120.400 0.004 0.000 2.185 495 D HA 0.496 5.137 4.640 0.001 0.000 0.247 495 D C -2.588 173.718 176.300 0.011 0.000 1.027 495 D CA -1.468 52.537 54.000 0.009 0.000 0.861 495 D CB 1.756 42.563 40.800 0.012 0.000 1.202 495 D HN 0.448 nan 8.370 nan 0.000 0.453 496 P HA 0.066 nan 4.420 nan 0.000 0.267 496 P C 0.715 178.025 177.300 0.017 0.000 1.209 496 P CA -0.079 63.030 63.100 0.014 0.000 0.763 496 P CB 0.555 32.264 31.700 0.015 0.000 0.816 497 T N 2.553 117.117 114.554 0.016 0.000 2.721 497 T HA -0.256 4.094 4.350 0.001 0.000 0.268 497 T C 1.629 176.341 174.700 0.020 0.000 1.038 497 T CA 1.540 63.650 62.100 0.017 0.000 1.145 497 T CB -0.388 68.490 68.868 0.015 0.000 0.858 497 T HN 0.515 nan 8.240 nan 0.000 0.459 498 K N 0.651 121.064 120.400 0.022 0.000 2.077 498 K HA -0.191 4.130 4.320 0.001 0.000 0.213 498 K C 2.389 179.009 176.600 0.033 0.000 1.051 498 K CA 2.024 58.327 56.287 0.027 0.000 0.929 498 K CB -0.380 32.136 32.500 0.027 0.000 0.715 498 K HN 0.425 nan 8.250 nan 0.000 0.451 499 V N -1.408 118.524 119.914 0.030 0.000 2.488 499 V HA -0.122 3.999 4.120 0.001 0.000 0.246 499 V C 1.822 177.937 176.094 0.035 0.000 1.046 499 V CA 2.015 64.335 62.300 0.033 0.000 1.053 499 V CB -0.731 31.106 31.823 0.025 0.000 0.679 499 V HN 0.290 nan 8.190 nan 0.000 0.458 500 T N 0.540 115.111 114.554 0.029 0.000 2.708 500 T HA -0.170 4.181 4.350 0.001 0.000 0.266 500 T C 1.979 176.698 174.700 0.032 0.000 1.037 500 T CA 2.108 64.225 62.100 0.028 0.000 1.146 500 T CB -0.425 68.457 68.868 0.023 0.000 0.865 500 T HN 0.577 nan 8.240 nan 0.000 0.435 501 R N 1.038 121.555 120.500 0.029 0.000 2.082 501 R HA -0.107 4.234 4.340 0.001 0.000 0.234 501 R C 2.632 178.953 176.300 0.034 0.000 1.136 501 R CA 1.902 58.016 56.100 0.023 0.000 0.935 501 R CB -0.475 29.835 30.300 0.018 0.000 0.842 501 R HN 0.260 nan 8.270 nan 0.000 0.430 502 S N 0.333 116.069 115.700 0.060 0.000 2.382 502 S HA -0.103 4.367 4.470 0.001 0.000 0.228 502 S C 1.934 176.636 174.600 0.170 0.000 1.027 502 S CA 1.034 59.306 58.200 0.120 0.000 0.991 502 S CB -0.162 63.122 63.200 0.140 0.000 0.823 502 S HN 0.574 nan 8.310 nan 0.000 0.469 503 A N 1.411 124.298 122.820 0.111 0.000 1.877 503 A HA -0.027 4.294 4.320 0.001 0.000 0.216 503 A C 2.129 179.767 177.584 0.091 0.000 1.186 503 A CA 1.250 53.348 52.037 0.102 0.000 0.620 503 A CB -0.747 18.289 19.000 0.060 0.000 0.822 503 A HN 0.468 nan 8.150 nan 0.000 0.443 504 L N -0.819 120.438 121.223 0.056 0.000 2.027 504 L HA -0.239 4.102 4.340 0.001 0.000 0.206 504 L C 2.842 179.721 176.870 0.014 0.000 1.074 504 L CA 1.743 56.602 54.840 0.032 0.000 0.745 504 L CB -0.409 41.661 42.059 0.019 0.000 0.898 504 L HN 0.491 nan 8.230 nan 0.000 0.433 505 Q N -1.218 118.573 119.800 -0.015 0.000 2.096 505 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 505 Q C 2.028 177.930 176.000 -0.164 0.000 0.982 505 Q CA 2.091 57.829 55.803 -0.109 0.000 0.850 505 Q CB -0.201 28.431 28.738 -0.175 0.000 0.901 505 Q HN 0.526 nan 8.270 nan 0.000 0.422 506 Y N -0.236 120.066 120.300 0.003 0.000 2.286 506 Y HA -0.087 4.464 4.550 0.001 0.000 0.293 506 Y C 2.303 178.205 175.900 0.003 0.000 1.124 506 Y CA 0.843 58.945 58.100 0.003 0.000 1.178 506 Y CB -0.440 38.021 38.460 0.002 0.000 1.010 506 Y HN 0.120 nan 8.280 nan 0.000 0.536 507 A N 0.118 123.023 122.820 0.140 0.000 1.883 507 A HA -0.191 4.130 4.320 0.001 0.000 0.217 507 A C 2.453 180.067 177.584 0.049 0.000 1.186 507 A CA 2.000 54.086 52.037 0.082 0.000 0.624 507 A CB -1.272 17.763 19.000 0.059 0.000 0.822 507 A HN 0.394 nan 8.150 nan 0.000 0.444 508 A N -1.089 121.746 122.820 0.024 0.000 1.933 508 A HA -0.105 4.216 4.320 0.001 0.000 0.218 508 A C 2.464 180.049 177.584 0.001 0.000 1.175 508 A CA 2.166 54.205 52.037 0.004 0.000 0.628 508 A CB -0.926 18.064 19.000 -0.016 0.000 0.814 508 A HN 0.493 nan 8.150 nan 0.000 0.444 509 S N -0.538 115.160 115.700 -0.003 0.000 2.348 509 S HA -0.153 4.318 4.470 0.001 0.000 0.221 509 S C 2.019 176.646 174.600 0.046 0.000 1.033 509 S CA 1.956 60.159 58.200 0.006 0.000 1.010 509 S CB -0.653 62.536 63.200 -0.018 0.000 0.891 509 S HN 0.796 nan 8.310 nan 0.000 0.442 510 V N 0.529 120.489 119.914 0.076 0.000 2.626 510 V HA 0.086 4.207 4.120 0.001 0.000 0.252 510 V C 2.435 178.552 176.094 0.037 0.000 1.067 510 V CA 1.357 63.693 62.300 0.061 0.000 1.081 510 V CB -1.654 30.208 31.823 0.065 0.000 0.686 510 V HN 0.467 nan 8.190 nan 0.000 0.468 511 A N 1.822 124.661 122.820 0.031 0.000 1.858 511 A HA 0.001 4.322 4.320 0.001 0.000 0.216 511 A C 2.433 180.026 177.584 0.014 0.000 1.190 511 A CA 2.142 54.191 52.037 0.020 0.000 0.617 511 A CB -1.561 17.449 19.000 0.017 0.000 0.827 511 A HN 0.642 nan 8.150 nan 0.000 0.443 512 G N -0.598 108.209 108.800 0.012 0.000 2.422 512 G HA2 -0.086 3.875 3.960 0.001 0.000 0.218 512 G HA3 -0.086 3.875 3.960 0.001 0.000 0.218 512 G C 1.426 176.331 174.900 0.009 0.000 1.146 512 G CA 1.240 46.344 45.100 0.007 0.000 0.769 512 G HN 0.339 nan 8.290 nan 0.000 0.547 513 L N 0.242 121.474 121.223 0.016 0.000 1.973 513 L HA 0.091 4.431 4.340 0.001 0.000 0.208 513 L C 3.090 179.967 176.870 0.011 0.000 1.073 513 L CA 1.573 56.423 54.840 0.016 0.000 0.746 513 L CB -0.551 41.523 42.059 0.026 0.000 0.891 513 L HN 0.170 nan 8.230 nan 0.000 0.433 514 M N -1.393 118.214 119.600 0.012 0.000 2.358 514 M HA -0.189 4.292 4.480 0.001 0.000 0.264 514 M C 2.194 178.496 176.300 0.003 0.000 1.064 514 M CA 1.496 56.800 55.300 0.007 0.000 1.093 514 M CB -0.371 32.235 32.600 0.010 0.000 1.401 514 M HN 0.236 nan 8.290 nan 0.000 0.440 515 I N -0.101 120.472 120.570 0.005 0.000 2.439 515 I HA -0.216 3.954 4.170 0.001 0.000 0.251 515 I C 2.401 178.519 176.117 0.003 0.000 1.139 515 I CA 1.604 62.906 61.300 0.004 0.000 1.438 515 I CB -0.336 37.667 38.000 0.005 0.000 1.085 515 I HN 0.406 nan 8.210 nan 0.000 0.427 516 T N -4.012 110.544 114.554 0.003 0.000 3.014 516 T HA 0.101 4.452 4.350 0.001 0.000 0.250 516 T C 0.948 175.649 174.700 0.002 0.000 1.060 516 T CA -0.107 61.994 62.100 0.003 0.000 1.040 516 T CB -0.406 68.464 68.868 0.004 0.000 0.971 516 T HN -0.012 nan 8.240 nan 0.000 0.497 517 T N 3.170 117.724 114.554 -0.001 0.000 2.928 517 T HA 0.128 4.478 4.350 0.001 0.000 0.305 517 T C 0.644 175.338 174.700 -0.010 0.000 1.035 517 T CA 0.073 62.168 62.100 -0.007 0.000 1.145 517 T CB 0.668 69.528 68.868 -0.013 0.000 0.963 517 T HN 0.246 nan 8.240 nan 0.000 0.545 518 E N 0.253 120.447 120.200 -0.009 0.000 2.601 518 E HA 0.216 4.567 4.350 0.001 0.000 0.219 518 E C -0.036 176.558 176.600 -0.010 0.000 0.964 518 E CA -0.032 56.371 56.400 0.005 0.000 1.050 518 E CB 0.787 30.505 29.700 0.029 0.000 1.068 518 E HN 0.532 nan 8.360 nan 0.000 0.496 519 C N 0.620 119.879 119.300 -0.067 0.000 3.239 519 C HA 0.671 5.132 4.460 0.001 0.000 0.329 519 C C -1.662 173.208 174.990 -0.200 0.000 1.252 519 C CA -0.525 58.401 59.018 -0.154 0.000 1.323 519 C CB 0.793 28.469 27.740 -0.106 0.000 1.663 519 C HN 0.148 nan 8.230 nan 0.000 0.487 520 M N 4.234 123.628 119.600 -0.342 0.000 2.446 520 M HA 0.661 5.142 4.480 0.001 0.000 0.294 520 M C -1.244 174.965 176.300 -0.152 0.000 1.158 520 M CA -0.635 54.484 55.300 -0.301 0.000 0.899 520 M CB 2.109 34.338 32.600 -0.617 0.000 1.687 520 M HN 0.349 nan 8.290 nan 0.000 0.455 521 V N 0.669 120.677 119.914 0.155 0.000 2.656 521 V HA 0.798 4.919 4.120 0.001 0.000 0.307 521 V C -0.550 175.701 176.094 0.261 0.000 1.051 521 V CA -0.472 61.956 62.300 0.213 0.000 0.893 521 V CB 2.208 34.066 31.823 0.058 0.000 0.999 521 V HN 0.947 nan 8.190 nan 0.000 0.426 522 T N 1.917 116.548 114.554 0.129 0.000 2.923 522 T HA 0.363 4.713 4.350 0.001 0.000 0.311 522 T C -1.326 173.320 174.700 -0.091 0.000 1.183 522 T CA -0.563 61.483 62.100 -0.090 0.000 1.020 522 T CB 1.737 70.319 68.868 -0.476 0.000 1.165 522 T HN 0.710 nan 8.240 nan 0.000 0.482 523 D N 2.465 122.814 120.400 -0.085 0.000 2.339 523 D HA 0.342 4.983 4.640 0.001 0.000 0.245 523 D C 0.608 176.843 176.300 -0.109 0.000 1.115 523 D CA -0.128 53.828 54.000 -0.074 0.000 0.917 523 D CB 1.032 41.802 40.800 -0.049 0.000 1.192 523 D HN 0.431 nan 8.370 nan 0.000 0.428 524 L N 1.046 122.219 121.223 -0.083 0.000 2.470 524 L HA 0.578 4.919 4.340 0.001 0.000 0.243 524 L C -1.455 175.372 176.870 -0.071 0.000 1.227 524 L CA -0.515 54.275 54.840 -0.082 0.000 0.824 524 L CB 0.166 42.193 42.059 -0.053 0.000 1.175 524 L HN 0.409 nan 8.230 nan 0.000 0.503 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726