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 2inc_1_A DATA FIRST_RESID 2 DATA SEQUENCE SMLKREDWYD LTRTTNWTPK YVTENELFPE EMSGARGISM EAWEKYDEPY DATA SEQUENCE KITYPEYVSI QREKDSGAYS IKAALERDGF VDRADPGWVS TMQLHFGAIA DATA SEQUENCE LEEYAASTAE ARMARFAKAP GNRNMATFGM MDENRHGQIQ LYFPYANVKR DATA SEQUENCE SRKWDWAHKA IHTNEWAAIA ARSFFDDMMM TRDSVAVSIM LTFAFETGFT DATA SEQUENCE NMQFLGLAAD AAEAGDHTFA SLISSIQTDE SRHAQQGGPS LKILVENGKK DATA SEQUENCE DEAQQMVDVA IWRSWKLFSV LTGPIMDYYT PLESRNQSFK EFMLEWIVAQ DATA SEQUENCE FERQLLDLGL DKPWYWDQFM QDLDETHHGM HLGVWYWRPT VWWDPAAGVS DATA SEQUENCE PEEREWLEEK YPGWNDTWGQ CWDVITDNLV NGKPELTVPE TLPTICNMCN DATA SEQUENCE LPIAHTPGNK WNVKDYQLEY EGRLYHFGSE ADRWCFQIDP ERYKNHTNLV DATA SEQUENCE DRFLKGEIQP ADLAGALMYM SLEPGVMGDD AHDYEWVKAY Q 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.607 174.600 0.011 0.000 1.055 2 S CA 0.000 58.208 58.200 0.014 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 M N 1.946 121.562 119.600 0.026 0.000 2.472 3 M HA 0.536 5.017 4.480 0.002 0.000 0.331 3 M C -0.423 175.913 176.300 0.060 0.000 1.170 3 M CA -0.585 54.733 55.300 0.031 0.000 1.009 3 M CB 0.627 33.260 32.600 0.055 0.000 1.672 3 M HN 0.631 nan 8.290 nan 0.000 0.453 4 L N 1.765 123.025 121.223 0.062 0.000 2.476 4 L HA 0.156 4.498 4.340 0.002 0.000 0.264 4 L C 0.795 177.812 176.870 0.244 0.000 1.224 4 L CA -0.121 54.808 54.840 0.148 0.000 0.821 4 L CB 0.074 42.241 42.059 0.180 0.000 1.101 4 L HN 0.536 nan 8.230 nan 0.000 0.488 5 K N 1.062 121.604 120.400 0.236 0.000 2.218 5 K HA 0.131 4.452 4.320 0.002 0.000 0.276 5 K C 0.781 177.544 176.600 0.272 0.000 1.022 5 K CA -0.467 55.944 56.287 0.206 0.000 0.946 5 K CB 1.131 33.707 32.500 0.126 0.000 1.000 5 K HN 0.444 nan 8.250 nan 0.000 0.468 6 R N 2.306 122.906 120.500 0.166 0.000 2.103 6 R HA -0.199 4.142 4.340 0.002 0.000 0.242 6 R C 1.561 177.707 176.300 -0.257 0.000 1.142 6 R CA 1.974 58.018 56.100 -0.094 0.000 0.960 6 R CB 0.108 30.344 30.300 -0.107 0.000 0.858 6 R HN 0.688 nan 8.270 nan 0.000 0.439 7 E N 0.293 120.445 120.200 -0.080 0.000 2.268 7 E HA -0.183 4.168 4.350 0.002 0.000 0.195 7 E C 0.945 177.555 176.600 0.016 0.000 0.995 7 E CA 1.018 57.381 56.400 -0.061 0.000 0.836 7 E CB -0.262 29.418 29.700 -0.034 0.000 0.763 7 E HN 0.456 nan 8.360 nan 0.000 0.491 8 D N 0.289 120.746 120.400 0.096 0.000 2.269 8 D HA -0.089 4.552 4.640 0.002 0.000 0.208 8 D C 1.497 177.954 176.300 0.263 0.000 0.963 8 D CA 0.969 55.074 54.000 0.176 0.000 0.864 8 D CB -0.169 40.761 40.800 0.216 0.000 0.936 8 D HN 0.575 nan 8.370 nan 0.000 0.505 9 W N -0.929 120.442 121.300 0.118 0.000 2.555 9 W HA 0.175 4.837 4.660 0.002 0.000 0.324 9 W C 1.320 177.920 176.519 0.134 0.000 0.973 9 W CA -0.501 56.907 57.345 0.106 0.000 1.481 9 W CB -1.009 28.500 29.460 0.083 0.000 1.064 9 W HN -0.159 nan 8.180 nan 0.000 0.543 10 Y N 3.359 123.383 120.300 -0.459 0.000 2.114 10 Y HA -0.276 4.275 4.550 0.002 0.000 0.282 10 Y C 2.069 177.891 175.900 -0.130 0.000 1.165 10 Y CA 2.801 60.609 58.100 -0.487 0.000 1.148 10 Y CB -0.504 37.715 38.460 -0.403 0.000 0.972 10 Y HN -0.232 nan 8.280 nan 0.000 0.504 11 D N 0.183 120.630 120.400 0.078 0.000 2.158 11 D HA -0.218 4.423 4.640 0.002 0.000 0.197 11 D C 2.208 178.512 176.300 0.007 0.000 0.995 11 D CA 1.572 55.603 54.000 0.052 0.000 0.846 11 D CB -0.472 40.390 40.800 0.103 0.000 0.941 11 D HN 0.423 nan 8.370 nan 0.000 0.456 12 L N 0.730 121.990 121.223 0.062 0.000 2.353 12 L HA -0.144 4.197 4.340 0.002 0.000 0.220 12 L C 2.447 179.344 176.870 0.045 0.000 1.133 12 L CA 1.366 56.256 54.840 0.083 0.000 0.798 12 L CB -0.689 41.460 42.059 0.151 0.000 0.922 12 L HN 0.177 nan 8.230 nan 0.000 0.445 13 T N -2.100 112.431 114.554 -0.037 0.000 2.995 13 T HA -0.151 4.200 4.350 0.002 0.000 0.269 13 T C 1.557 176.205 174.700 -0.087 0.000 1.091 13 T CA 0.583 62.642 62.100 -0.069 0.000 1.128 13 T CB -0.186 68.565 68.868 -0.196 0.000 0.891 13 T HN 0.523 nan 8.240 nan 0.000 0.492 14 R N 0.521 120.962 120.500 -0.098 0.000 2.546 14 R HA 0.283 4.624 4.340 0.002 0.000 0.320 14 R C -0.215 176.102 176.300 0.029 0.000 1.021 14 R CA -0.362 55.722 56.100 -0.027 0.000 1.088 14 R CB -0.300 29.991 30.300 -0.015 0.000 1.278 14 R HN 0.089 nan 8.270 nan 0.000 0.557 15 T N 1.876 116.452 114.554 0.037 0.000 3.766 15 T HA 0.085 4.436 4.350 0.002 0.000 0.327 15 T C 0.681 175.431 174.700 0.084 0.000 1.595 15 T CA 0.001 62.140 62.100 0.064 0.000 1.204 15 T CB 0.756 69.661 68.868 0.062 0.000 1.245 15 T HN 0.398 nan 8.240 nan 0.000 0.875 16 T N -2.364 112.256 114.554 0.111 0.000 3.087 16 T HA 0.204 4.555 4.350 0.002 0.000 0.283 16 T C 0.468 175.350 174.700 0.305 0.000 0.956 16 T CA -0.554 61.647 62.100 0.167 0.000 0.894 16 T CB 0.128 69.073 68.868 0.129 0.000 1.160 16 T HN 0.137 nan 8.240 nan 0.000 0.532 17 N N 2.553 121.386 118.700 0.222 0.000 2.530 17 N HA 0.532 5.273 4.740 0.002 0.000 0.273 17 N C -0.690 175.027 175.510 0.346 0.000 1.173 17 N CA -0.387 52.789 53.050 0.210 0.000 0.967 17 N CB 0.579 39.105 38.487 0.065 0.000 1.109 17 N HN 0.744 nan 8.380 nan 0.000 0.453 18 W N -0.501 120.836 121.300 0.061 0.000 3.042 18 W HA 0.504 5.165 4.660 0.002 0.000 0.342 18 W C -1.242 175.314 176.519 0.062 0.000 1.240 18 W CA -0.866 56.510 57.345 0.052 0.000 1.166 18 W CB 0.312 29.800 29.460 0.048 0.000 1.469 18 W HN 0.107 nan 8.180 nan 0.000 0.579 19 T N 4.349 118.990 114.554 0.144 0.000 2.738 19 T HA 0.302 4.653 4.350 0.002 0.000 0.298 19 T C -2.079 172.647 174.700 0.044 0.000 0.962 19 T CA -0.832 61.273 62.100 0.008 0.000 0.972 19 T CB 0.371 69.277 68.868 0.063 0.000 0.928 19 T HN 0.186 nan 8.240 nan 0.000 0.474 20 P HA 0.271 nan 4.420 nan 0.000 0.272 20 P C 0.297 177.587 177.300 -0.016 0.000 1.223 20 P CA -0.382 62.717 63.100 -0.002 0.000 0.784 20 P CB 1.561 33.206 31.700 -0.092 0.000 0.923 21 K N 0.723 121.073 120.400 -0.084 0.000 2.556 21 K HA 0.083 4.404 4.320 0.002 0.000 0.201 21 K C 1.003 177.359 176.600 -0.406 0.000 1.423 21 K CA 0.086 56.164 56.287 -0.349 0.000 1.010 21 K CB 0.104 32.195 32.500 -0.681 0.000 1.409 21 K HN 0.180 nan 8.250 nan 0.000 0.538 22 Y N 1.025 121.373 120.300 0.081 0.000 2.511 22 Y HA 0.144 4.695 4.550 0.002 0.000 0.279 22 Y C 0.632 176.557 175.900 0.042 0.000 1.157 22 Y CA -0.112 58.022 58.100 0.056 0.000 1.300 22 Y CB 0.696 39.191 38.460 0.058 0.000 1.052 22 Y HN -0.061 nan 8.280 nan 0.000 0.529 23 V N -3.555 116.431 119.914 0.120 0.000 3.159 23 V HA 0.720 4.841 4.120 0.002 0.000 0.308 23 V C -0.092 176.016 176.094 0.023 0.000 1.190 23 V CA -0.872 61.469 62.300 0.068 0.000 1.037 23 V CB 1.476 33.337 31.823 0.062 0.000 1.060 23 V HN 0.040 nan 8.190 nan 0.000 0.437 24 T N -1.810 112.752 114.554 0.013 0.000 2.874 24 T HA 0.406 4.757 4.350 0.002 0.000 0.281 24 T C 0.853 175.559 174.700 0.009 0.000 0.994 24 T CA 0.605 62.707 62.100 0.004 0.000 1.015 24 T CB 1.515 70.387 68.868 0.007 0.000 1.028 24 T HN 1.037 nan 8.240 nan 0.000 0.523 25 E N 0.517 120.727 120.200 0.017 0.000 2.077 25 E HA -0.203 4.148 4.350 0.002 0.000 0.193 25 E C 1.653 178.319 176.600 0.110 0.000 0.989 25 E CA 1.153 57.591 56.400 0.063 0.000 0.800 25 E CB -0.093 29.628 29.700 0.035 0.000 0.746 25 E HN 0.610 nan 8.360 nan 0.000 0.452 26 N N 0.710 119.448 118.700 0.062 0.000 2.309 26 N HA -0.133 4.608 4.740 0.002 0.000 0.182 26 N C 1.400 176.938 175.510 0.048 0.000 1.018 26 N CA 0.939 54.025 53.050 0.060 0.000 0.876 26 N CB -0.079 38.426 38.487 0.030 0.000 0.972 26 N HN 0.330 nan 8.380 nan 0.000 0.434 27 E N 0.040 120.256 120.200 0.027 0.000 2.072 27 E HA -0.079 4.272 4.350 0.002 0.000 0.190 27 E C 1.686 178.278 176.600 -0.014 0.000 0.982 27 E CA 0.421 56.826 56.400 0.009 0.000 0.803 27 E CB 0.000 29.703 29.700 0.005 0.000 0.755 27 E HN 0.103 nan 8.360 nan 0.000 0.453 28 L N -0.368 120.825 121.223 -0.050 0.000 2.156 28 L HA 0.001 4.342 4.340 0.002 0.000 0.208 28 L C 0.151 176.769 176.870 -0.420 0.000 1.095 28 L CA 1.410 56.105 54.840 -0.243 0.000 0.770 28 L CB 0.291 42.166 42.059 -0.306 0.000 0.914 28 L HN -0.064 nan 8.230 nan 0.000 0.439 29 F N 0.856 120.818 119.950 0.021 0.000 2.449 29 F HA 0.418 4.947 4.527 0.002 0.000 0.344 29 F C -2.152 173.659 175.800 0.020 0.000 1.180 29 F CA -2.702 55.343 58.000 0.075 0.000 1.209 29 F CB 0.036 39.025 39.000 -0.019 0.000 1.440 29 F HN -0.093 nan 8.300 nan 0.000 0.526 30 P HA -0.014 nan 4.420 nan 0.000 0.264 30 P C 0.886 178.150 177.300 -0.060 0.000 1.193 30 P CA 0.302 63.391 63.100 -0.017 0.000 0.763 30 P CB 1.019 32.659 31.700 -0.100 0.000 0.810 31 E N 4.116 124.293 120.200 -0.038 0.000 2.130 31 E HA -0.263 4.088 4.350 0.002 0.000 0.196 31 E C 1.539 178.081 176.600 -0.096 0.000 0.998 31 E CA 1.883 58.255 56.400 -0.047 0.000 0.806 31 E CB -0.372 29.313 29.700 -0.025 0.000 0.738 31 E HN 0.618 nan 8.360 nan 0.000 0.459 32 E N -0.738 119.387 120.200 -0.124 0.000 2.265 32 E HA -0.195 4.156 4.350 0.002 0.000 0.196 32 E C 1.540 178.003 176.600 -0.229 0.000 0.996 32 E CA 1.121 57.431 56.400 -0.151 0.000 0.832 32 E CB -0.135 29.481 29.700 -0.140 0.000 0.756 32 E HN 0.286 nan 8.360 nan 0.000 0.491 33 M N 0.504 119.892 119.600 -0.353 0.000 2.552 33 M HA 0.135 4.616 4.480 0.002 0.000 0.264 33 M C 1.996 178.094 176.300 -0.335 0.000 1.159 33 M CA 0.731 55.675 55.300 -0.593 0.000 1.176 33 M CB 0.024 31.701 32.600 -1.540 0.000 1.327 33 M HN 0.044 nan 8.290 nan 0.000 0.481 34 S N -0.048 115.553 115.700 -0.165 0.000 2.441 34 S HA 0.229 4.700 4.470 0.002 0.000 0.224 34 S C 1.399 175.923 174.600 -0.126 0.000 1.043 34 S CA 0.712 58.891 58.200 -0.034 0.000 0.948 34 S CB -0.022 63.213 63.200 0.057 0.000 0.810 34 S HN 0.671 nan 8.310 nan 0.000 0.504 35 G N 1.540 110.281 108.800 -0.099 0.000 2.273 35 G HA2 -0.247 3.714 3.960 0.002 0.000 0.280 35 G HA3 -0.247 3.714 3.960 0.002 0.000 0.280 35 G C 0.653 175.521 174.900 -0.053 0.000 1.047 35 G CA 0.464 45.523 45.100 -0.069 0.000 0.869 35 G HN 0.685 nan 8.290 nan 0.000 0.502 36 A N -0.332 122.453 122.820 -0.059 0.000 2.119 36 A HA 0.405 4.726 4.320 0.002 0.000 0.216 36 A C 1.818 179.594 177.584 0.321 0.000 1.152 36 A CA 1.500 53.570 52.037 0.056 0.000 0.708 36 A CB -0.196 18.785 19.000 -0.032 0.000 0.805 36 A HN 1.334 nan 8.150 nan 0.000 0.460 37 R N -2.644 117.951 120.500 0.157 0.000 3.531 37 R HA -0.211 4.130 4.340 0.002 0.000 0.280 37 R C 0.980 177.343 176.300 0.106 0.000 1.130 37 R CA 0.480 56.657 56.100 0.128 0.000 0.757 37 R CB -2.449 27.940 30.300 0.148 0.000 1.218 37 R HN 1.562 nan 8.270 nan 0.000 0.454 38 G N -0.473 108.386 108.800 0.097 0.000 2.168 38 G HA2 -0.335 3.626 3.960 0.002 0.000 0.263 38 G HA3 -0.335 3.626 3.960 0.002 0.000 0.263 38 G C 0.307 175.242 174.900 0.059 0.000 0.977 38 G CA 0.449 45.586 45.100 0.061 0.000 0.659 38 G HN 0.415 nan 8.290 nan 0.000 0.533 39 I N 2.249 122.889 120.570 0.116 0.000 2.395 39 I HA 0.380 4.551 4.170 0.002 0.000 0.289 39 I C 1.346 177.515 176.117 0.086 0.000 1.023 39 I CA -0.029 61.273 61.300 0.003 0.000 1.350 39 I CB 1.413 39.281 38.000 -0.220 0.000 1.409 39 I HN 0.347 nan 8.210 nan 0.000 0.507 40 S N 5.851 121.547 115.700 -0.007 0.000 2.593 40 S HA 0.120 4.592 4.470 0.002 0.000 0.269 40 S C 1.124 175.787 174.600 0.106 0.000 1.334 40 S CA -0.600 57.623 58.200 0.037 0.000 1.015 40 S CB 1.026 64.220 63.200 -0.010 0.000 0.912 40 S HN 0.809 nan 8.310 nan 0.000 0.541 41 M N 0.598 120.239 119.600 0.068 0.000 2.082 41 M HA -0.200 4.281 4.480 0.002 0.000 0.258 41 M C 2.278 178.613 176.300 0.058 0.000 1.069 41 M CA 2.271 57.598 55.300 0.045 0.000 1.102 41 M CB -0.520 32.044 32.600 -0.060 0.000 1.336 41 M HN 1.027 nan 8.290 nan 0.000 0.404 42 E N -0.398 119.814 120.200 0.020 0.000 2.097 42 E HA -0.239 4.112 4.350 0.002 0.000 0.196 42 E C 1.720 178.317 176.600 -0.006 0.000 1.000 42 E CA 1.536 57.943 56.400 0.011 0.000 0.804 42 E CB -0.094 29.604 29.700 -0.003 0.000 0.740 42 E HN 0.648 nan 8.360 nan 0.000 0.454 43 A N -0.204 122.580 122.820 -0.060 0.000 1.968 43 A HA -0.128 4.193 4.320 0.002 0.000 0.217 43 A C 1.667 179.137 177.584 -0.190 0.000 1.169 43 A CA 0.832 52.776 52.037 -0.155 0.000 0.638 43 A CB -0.918 17.931 19.000 -0.253 0.000 0.812 43 A HN 0.480 nan 8.150 nan 0.000 0.446 44 W N 0.389 121.674 121.300 -0.026 0.000 2.425 44 W HA -0.046 4.615 4.660 0.002 0.000 0.277 44 W C 1.915 178.450 176.519 0.027 0.000 1.231 44 W CA 1.075 58.414 57.345 -0.011 0.000 1.248 44 W CB 0.029 29.438 29.460 -0.085 0.000 1.117 44 W HN 0.423 nan 8.180 nan 0.000 0.568 45 E N 0.254 120.568 120.200 0.190 0.000 2.478 45 E HA -0.122 4.229 4.350 0.002 0.000 0.198 45 E C 1.704 178.387 176.600 0.137 0.000 1.046 45 E CA 0.561 57.049 56.400 0.147 0.000 0.870 45 E CB -0.113 29.641 29.700 0.090 0.000 0.818 45 E HN 0.281 nan 8.360 nan 0.000 0.527 46 K N 0.374 120.836 120.400 0.103 0.000 2.442 46 K HA -0.095 4.226 4.320 0.002 0.000 0.198 46 K C 0.254 176.926 176.600 0.120 0.000 1.042 46 K CA 0.149 56.477 56.287 0.069 0.000 0.958 46 K CB -0.129 32.366 32.500 -0.008 0.000 0.766 46 K HN 0.205 nan 8.250 nan 0.000 0.474 47 Y N 2.474 122.819 120.300 0.076 0.000 2.729 47 Y HA -0.121 4.430 4.550 0.002 0.000 0.331 47 Y C -0.354 175.593 175.900 0.079 0.000 1.208 47 Y CA 0.163 58.325 58.100 0.103 0.000 1.521 47 Y CB 0.264 38.831 38.460 0.178 0.000 1.233 47 Y HN -0.063 nan 8.280 nan 0.000 0.539 48 D N 6.301 126.622 120.400 -0.132 0.000 2.421 48 D HA 0.068 4.710 4.640 0.002 0.000 0.254 48 D C -1.149 175.051 176.300 -0.167 0.000 1.238 48 D CA -0.666 53.310 54.000 -0.040 0.000 0.919 48 D CB 0.595 41.383 40.800 -0.020 0.000 1.152 48 D HN 0.636 nan 8.370 nan 0.000 0.552 49 E N 4.304 124.483 120.200 -0.034 0.000 2.376 49 E HA 0.114 4.465 4.350 0.002 0.000 0.266 49 E C -1.849 174.660 176.600 -0.151 0.000 1.009 49 E CA -1.131 55.229 56.400 -0.065 0.000 0.902 49 E CB 1.468 31.269 29.700 0.168 0.000 0.972 49 E HN 0.243 nan 8.360 nan 0.000 0.439 50 P HA -0.099 nan 4.420 nan 0.000 0.220 50 P C -0.341 176.699 177.300 -0.434 0.000 1.152 50 P CA 1.032 63.852 63.100 -0.467 0.000 0.812 50 P CB 0.029 31.272 31.700 -0.762 0.000 0.792 51 Y N 0.833 121.122 120.300 -0.018 0.000 2.335 51 Y HA 0.428 4.979 4.550 0.002 0.000 0.339 51 Y C 0.946 176.819 175.900 -0.045 0.000 0.987 51 Y CA -1.199 56.877 58.100 -0.039 0.000 1.140 51 Y CB 0.874 39.325 38.460 -0.015 0.000 1.173 51 Y HN -0.242 nan 8.280 nan 0.000 0.486 52 K N 4.055 124.454 120.400 -0.001 0.000 2.156 52 K HA 0.780 5.101 4.320 0.002 0.000 0.254 52 K C -1.172 175.391 176.600 -0.062 0.000 0.950 52 K CA -0.880 55.316 56.287 -0.152 0.000 0.849 52 K CB 2.657 34.709 32.500 -0.746 0.000 1.100 52 K HN 0.675 nan 8.250 nan 0.000 0.434 53 I N 0.827 121.447 120.570 0.083 0.000 2.841 53 I HA 0.256 4.428 4.170 0.002 0.000 0.298 53 I C -1.061 175.122 176.117 0.110 0.000 1.304 53 I CA -0.311 60.978 61.300 -0.017 0.000 1.019 53 I CB 2.468 40.337 38.000 -0.217 0.000 1.282 53 I HN 0.825 nan 8.210 nan 0.000 0.432 54 T N 1.944 116.582 114.554 0.141 0.000 2.942 54 T HA 0.304 4.656 4.350 0.002 0.000 0.289 54 T C 0.680 175.635 174.700 0.425 0.000 1.044 54 T CA -0.352 61.961 62.100 0.354 0.000 1.023 54 T CB 1.317 70.414 68.868 0.381 0.000 1.123 54 T HN 0.638 nan 8.240 nan 0.000 0.512 55 Y N 2.307 122.926 120.300 0.530 0.000 2.114 55 Y HA -0.002 4.549 4.550 0.002 0.000 0.282 55 Y C -1.024 175.090 175.900 0.356 0.000 1.165 55 Y CA 1.966 60.367 58.100 0.501 0.000 1.148 55 Y CB -1.484 37.179 38.460 0.338 0.000 0.972 55 Y HN 0.506 nan 8.280 nan 0.000 0.504 56 P HA -0.150 nan 4.420 nan 0.000 0.217 56 P C 1.056 178.446 177.300 0.149 0.000 1.150 56 P CA 2.245 65.516 63.100 0.284 0.000 0.832 56 P CB -0.071 31.810 31.700 0.302 0.000 0.787 57 E N -1.587 118.709 120.200 0.159 0.000 2.077 57 E HA -0.226 4.125 4.350 0.002 0.000 0.193 57 E C 2.052 178.653 176.600 0.000 0.000 0.989 57 E CA 0.946 57.389 56.400 0.071 0.000 0.800 57 E CB -0.683 29.054 29.700 0.061 0.000 0.746 57 E HN 0.284 nan 8.360 nan 0.000 0.452 58 Y N 1.533 121.759 120.300 -0.123 0.000 2.114 58 Y HA -0.265 4.286 4.550 0.002 0.000 0.284 58 Y C 2.362 178.177 175.900 -0.142 0.000 1.143 58 Y CA 1.822 59.814 58.100 -0.180 0.000 1.135 58 Y CB -0.300 38.039 38.460 -0.201 0.000 0.980 58 Y HN -0.026 nan 8.280 nan 0.000 0.499 59 V N -2.153 117.735 119.914 -0.042 0.000 2.626 59 V HA -0.161 3.960 4.120 0.002 0.000 0.252 59 V C 2.233 178.270 176.094 -0.096 0.000 1.067 59 V CA 1.985 64.228 62.300 -0.095 0.000 1.081 59 V CB -1.112 30.612 31.823 -0.165 0.000 0.686 59 V HN 0.470 nan 8.190 nan 0.000 0.468 60 S N 0.537 116.193 115.700 -0.073 0.000 2.348 60 S HA 0.006 4.477 4.470 0.002 0.000 0.219 60 S C 1.909 176.461 174.600 -0.080 0.000 1.033 60 S CA 1.407 59.578 58.200 -0.048 0.000 0.974 60 S CB -0.461 62.734 63.200 -0.008 0.000 0.868 60 S HN 0.590 nan 8.310 nan 0.000 0.459 61 I N 1.544 122.043 120.570 -0.117 0.000 2.286 61 I HA -0.156 4.015 4.170 0.002 0.000 0.248 61 I C 2.632 178.649 176.117 -0.166 0.000 1.115 61 I CA 1.062 62.283 61.300 -0.133 0.000 1.392 61 I CB -0.247 37.658 38.000 -0.158 0.000 1.065 61 I HN 0.364 nan 8.210 nan 0.000 0.418 62 Q N 0.059 119.698 119.800 -0.268 0.000 2.269 62 Q HA -0.097 4.244 4.340 0.002 0.000 0.201 62 Q C 2.150 178.077 176.000 -0.121 0.000 0.946 62 Q CA 0.687 56.337 55.803 -0.255 0.000 0.877 62 Q CB -0.331 28.111 28.738 -0.493 0.000 0.963 62 Q HN 0.498 nan 8.270 nan 0.000 0.472 63 R N 1.040 121.479 120.500 -0.102 0.000 2.081 63 R HA -0.144 4.197 4.340 0.002 0.000 0.235 63 R C 1.527 177.807 176.300 -0.034 0.000 1.131 63 R CA 1.157 57.224 56.100 -0.055 0.000 0.960 63 R CB 0.253 30.527 30.300 -0.043 0.000 0.856 63 R HN 0.066 nan 8.270 nan 0.000 0.436 64 E N 0.941 121.119 120.200 -0.036 0.000 2.106 64 E HA -0.135 4.216 4.350 0.002 0.000 0.192 64 E C 1.916 178.520 176.600 0.007 0.000 0.984 64 E CA 1.047 57.439 56.400 -0.014 0.000 0.806 64 E CB -0.056 29.632 29.700 -0.020 0.000 0.750 64 E HN 0.393 nan 8.360 nan 0.000 0.458 65 K N 0.708 121.105 120.400 -0.004 0.000 2.020 65 K HA -0.182 4.139 4.320 0.002 0.000 0.212 65 K C 1.803 178.459 176.600 0.092 0.000 1.050 65 K CA 1.626 57.929 56.287 0.027 0.000 0.929 65 K CB -0.086 32.418 32.500 0.007 0.000 0.714 65 K HN 0.023 nan 8.250 nan 0.000 0.443 66 D N 0.092 120.555 120.400 0.105 0.000 2.149 66 D HA -0.043 4.598 4.640 0.002 0.000 0.201 66 D C 1.998 178.424 176.300 0.209 0.000 0.972 66 D CA 0.799 54.930 54.000 0.218 0.000 0.835 66 D CB -0.121 40.723 40.800 0.073 0.000 0.966 66 D HN -0.006 nan 8.370 nan 0.000 0.476 67 S N 0.097 115.846 115.700 0.082 0.000 2.365 67 S HA -0.158 4.313 4.470 0.002 0.000 0.225 67 S C 2.036 176.712 174.600 0.126 0.000 1.039 67 S CA 1.451 59.695 58.200 0.075 0.000 1.033 67 S CB -0.674 62.544 63.200 0.030 0.000 0.887 67 S HN 0.421 nan 8.310 nan 0.000 0.447 68 G N 1.197 110.066 108.800 0.114 0.000 2.434 68 G HA2 -0.022 3.939 3.960 0.002 0.000 0.214 68 G HA3 -0.022 3.939 3.960 0.002 0.000 0.214 68 G C 1.612 176.606 174.900 0.157 0.000 1.202 68 G CA 0.914 46.078 45.100 0.107 0.000 0.788 68 G HN 0.592 nan 8.290 nan 0.000 0.539 69 A N -0.090 122.850 122.820 0.201 0.000 1.902 69 A HA 0.018 4.339 4.320 0.002 0.000 0.217 69 A C 2.258 180.036 177.584 0.323 0.000 1.181 69 A CA 1.537 53.717 52.037 0.237 0.000 0.623 69 A CB -0.682 18.420 19.000 0.170 0.000 0.818 69 A HN 0.457 nan 8.150 nan 0.000 0.443 70 Y N 0.272 120.716 120.300 0.239 0.000 2.293 70 Y HA -0.133 4.418 4.550 0.002 0.000 0.291 70 Y C 3.016 178.978 175.900 0.103 0.000 1.137 70 Y CA 1.300 59.514 58.100 0.190 0.000 1.202 70 Y CB -0.103 38.420 38.460 0.105 0.000 0.990 70 Y HN 0.279 nan 8.280 nan 0.000 0.537 71 S N -0.011 115.827 115.700 0.230 0.000 2.356 71 S HA -0.161 4.311 4.470 0.002 0.000 0.223 71 S C 1.863 176.521 174.600 0.097 0.000 1.032 71 S CA 1.300 59.580 58.200 0.133 0.000 1.005 71 S CB -0.354 62.906 63.200 0.100 0.000 0.867 71 S HN 0.222 nan 8.310 nan 0.000 0.449 72 I N 2.034 122.669 120.570 0.107 0.000 2.179 72 I HA -0.150 4.021 4.170 0.002 0.000 0.242 72 I C 2.304 178.455 176.117 0.056 0.000 1.088 72 I CA 1.325 62.676 61.300 0.085 0.000 1.357 72 I CB -0.719 37.349 38.000 0.114 0.000 1.051 72 I HN 0.221 nan 8.210 nan 0.000 0.409 73 K N 0.779 121.194 120.400 0.025 0.000 2.044 73 K HA -0.224 4.097 4.320 0.002 0.000 0.210 73 K C 2.137 178.689 176.600 -0.081 0.000 1.049 73 K CA 1.898 58.102 56.287 -0.137 0.000 0.927 73 K CB -0.212 31.952 32.500 -0.560 0.000 0.713 73 K HN 0.296 nan 8.250 nan 0.000 0.443 74 A N 0.830 123.642 122.820 -0.014 0.000 1.930 74 A HA -0.044 4.277 4.320 0.002 0.000 0.217 74 A C 2.281 179.872 177.584 0.012 0.000 1.175 74 A CA 1.714 53.758 52.037 0.012 0.000 0.627 74 A CB -0.630 18.405 19.000 0.060 0.000 0.815 74 A HN 0.514 nan 8.150 nan 0.000 0.443 75 A N -0.563 122.271 122.820 0.022 0.000 1.969 75 A HA 0.085 4.406 4.320 0.002 0.000 0.218 75 A C 1.869 179.465 177.584 0.020 0.000 1.169 75 A CA 1.337 53.388 52.037 0.022 0.000 0.635 75 A CB -0.357 18.659 19.000 0.027 0.000 0.810 75 A HN 0.455 nan 8.150 nan 0.000 0.445 76 L N -1.154 120.080 121.223 0.019 0.000 2.640 76 L HA 0.121 4.462 4.340 0.002 0.000 0.230 76 L C 2.010 178.894 176.870 0.025 0.000 1.123 76 L CA 0.512 55.372 54.840 0.032 0.000 0.900 76 L CB -0.010 42.078 42.059 0.048 0.000 1.146 76 L HN 0.535 nan 8.230 nan 0.000 0.484 77 E N 1.110 121.307 120.200 -0.005 0.000 2.072 77 E HA -0.155 4.196 4.350 0.002 0.000 0.191 77 E C 2.154 178.746 176.600 -0.014 0.000 0.985 77 E CA 1.116 57.497 56.400 -0.030 0.000 0.801 77 E CB 0.238 29.902 29.700 -0.060 0.000 0.750 77 E HN 0.268 nan 8.360 nan 0.000 0.452 78 R N 0.241 120.740 120.500 -0.001 0.000 2.276 78 R HA -0.052 4.289 4.340 0.002 0.000 0.203 78 R C 1.377 177.689 176.300 0.020 0.000 1.017 78 R CA 0.983 57.084 56.100 0.002 0.000 1.010 78 R CB -0.074 30.228 30.300 0.002 0.000 0.900 78 R HN 0.259 nan 8.270 nan 0.000 0.469 79 D N 0.363 120.787 120.400 0.040 0.000 2.263 79 D HA -0.087 4.554 4.640 0.002 0.000 0.208 79 D C 0.968 177.318 176.300 0.083 0.000 0.971 79 D CA 1.168 55.209 54.000 0.068 0.000 0.867 79 D CB -0.076 40.781 40.800 0.096 0.000 0.929 79 D HN 0.298 nan 8.370 nan 0.000 0.492 80 G N 0.005 108.846 108.800 0.068 0.000 2.341 80 G HA2 -0.375 3.586 3.960 0.002 0.000 0.292 80 G HA3 -0.375 3.586 3.960 0.002 0.000 0.292 80 G C 0.676 175.632 174.900 0.093 0.000 1.021 80 G CA 0.478 45.610 45.100 0.054 0.000 0.905 80 G HN 0.431 nan 8.290 nan 0.000 0.508 81 F N 0.041 120.005 119.950 0.024 0.000 2.147 81 F HA -0.160 4.368 4.527 0.002 0.000 0.301 81 F C 2.439 178.282 175.800 0.072 0.000 1.084 81 F CA 2.457 60.484 58.000 0.045 0.000 1.268 81 F CB -0.347 38.683 39.000 0.050 0.000 1.009 81 F HN 0.237 nan 8.300 nan 0.000 0.486 82 V N 0.792 120.728 119.914 0.036 0.000 2.469 82 V HA -0.294 3.827 4.120 0.002 0.000 0.251 82 V C 1.803 177.844 176.094 -0.088 0.000 1.064 82 V CA 2.661 64.959 62.300 -0.003 0.000 1.066 82 V CB -0.646 31.223 31.823 0.076 0.000 0.667 82 V HN 0.398 nan 8.190 nan 0.000 0.461 83 D N 0.259 120.609 120.400 -0.083 0.000 2.310 83 D HA -0.123 4.518 4.640 0.002 0.000 0.212 83 D C 1.994 178.228 176.300 -0.110 0.000 0.965 83 D CA 1.356 55.319 54.000 -0.062 0.000 0.879 83 D CB -0.100 40.681 40.800 -0.033 0.000 0.921 83 D HN 0.712 nan 8.370 nan 0.000 0.510 84 R N -0.086 120.274 120.500 -0.233 0.000 2.509 84 R HA 0.481 4.822 4.340 0.002 0.000 0.297 84 R C 0.587 176.680 176.300 -0.346 0.000 0.951 84 R CA -0.315 55.652 56.100 -0.222 0.000 1.103 84 R CB 0.416 30.626 30.300 -0.150 0.000 1.283 84 R HN -0.123 nan 8.270 nan 0.000 0.534 85 A N 1.816 124.295 122.820 -0.568 0.000 2.466 85 A HA 0.004 4.325 4.320 0.002 0.000 0.238 85 A C -0.094 177.441 177.584 -0.082 0.000 1.074 85 A CA -0.069 51.690 52.037 -0.462 0.000 0.774 85 A CB 0.134 18.962 19.000 -0.288 0.000 1.015 85 A HN 0.419 nan 8.150 nan 0.000 0.498 86 D N 1.963 122.394 120.400 0.051 0.000 2.533 86 D HA 0.011 4.652 4.640 0.002 0.000 0.236 86 D C -1.268 175.095 176.300 0.104 0.000 1.137 86 D CA -0.859 53.215 54.000 0.123 0.000 0.867 86 D CB 0.911 41.819 40.800 0.181 0.000 1.170 86 D HN 0.244 nan 8.370 nan 0.000 0.474 87 P HA -0.059 nan 4.420 nan 0.000 0.223 87 P C 1.280 178.497 177.300 -0.139 0.000 1.151 87 P CA 0.696 63.729 63.100 -0.113 0.000 0.787 87 P CB 0.100 31.661 31.700 -0.232 0.000 0.788 88 G N -0.632 108.096 108.800 -0.119 0.000 2.422 88 G HA2 -0.243 3.718 3.960 0.002 0.000 0.218 88 G HA3 -0.243 3.718 3.960 0.002 0.000 0.218 88 G C 1.558 176.545 174.900 0.146 0.000 1.146 88 G CA 0.159 45.270 45.100 0.018 0.000 0.769 88 G HN 0.267 nan 8.290 nan 0.000 0.547 89 W N 1.115 122.415 121.300 0.001 0.000 2.355 89 W HA -0.175 4.486 4.660 0.002 0.000 0.309 89 W C 2.186 178.680 176.519 -0.042 0.000 1.206 89 W CA 1.584 58.909 57.345 -0.033 0.000 1.284 89 W CB -0.291 29.167 29.460 -0.003 0.000 1.145 89 W HN 0.111 nan 8.180 nan 0.000 0.502 90 V N 1.025 120.872 119.914 -0.112 0.000 2.332 90 V HA -0.352 3.769 4.120 0.002 0.000 0.248 90 V C 2.425 178.361 176.094 -0.265 0.000 1.055 90 V CA 2.391 64.612 62.300 -0.131 0.000 1.038 90 V CB -1.331 30.514 31.823 0.037 0.000 0.651 90 V HN 0.129 nan 8.190 nan 0.000 0.450 91 S N -0.517 115.077 115.700 -0.177 0.000 2.368 91 S HA -0.180 4.291 4.470 0.002 0.000 0.224 91 S C 2.091 176.502 174.600 -0.314 0.000 1.029 91 S CA 1.749 59.881 58.200 -0.113 0.000 0.988 91 S CB -0.419 62.864 63.200 0.137 0.000 0.838 91 S HN 0.696 nan 8.310 nan 0.000 0.462 92 T N 2.801 117.121 114.554 -0.390 0.000 2.665 92 T HA -0.120 4.231 4.350 0.002 0.000 0.268 92 T C 1.808 176.038 174.700 -0.783 0.000 1.035 92 T CA 1.444 63.153 62.100 -0.652 0.000 1.151 92 T CB -0.366 68.069 68.868 -0.722 0.000 0.862 92 T HN 0.345 nan 8.240 nan 0.000 0.438 93 M N 0.614 119.659 119.600 -0.926 0.000 2.132 93 M HA -0.120 4.362 4.480 0.002 0.000 0.263 93 M C 2.597 178.771 176.300 -0.209 0.000 1.065 93 M CA 1.592 56.480 55.300 -0.687 0.000 1.122 93 M CB -0.486 31.824 32.600 -0.484 0.000 1.365 93 M HN 0.285 nan 8.290 nan 0.000 0.411 94 Q N 0.190 119.800 119.800 -0.317 0.000 2.084 94 Q HA -0.201 4.141 4.340 0.002 0.000 0.202 94 Q C 2.080 178.176 176.000 0.161 0.000 0.978 94 Q CA 1.269 56.962 55.803 -0.182 0.000 0.844 94 Q CB -0.318 28.193 28.738 -0.378 0.000 0.898 94 Q HN 0.357 nan 8.270 nan 0.000 0.426 95 L N 0.080 121.133 121.223 -0.283 0.000 2.017 95 L HA -0.222 4.119 4.340 0.002 0.000 0.208 95 L C 2.226 178.988 176.870 -0.179 0.000 1.073 95 L CA 2.353 56.822 54.840 -0.618 0.000 0.745 95 L CB -0.921 40.223 42.059 -1.525 0.000 0.894 95 L HN 0.256 nan 8.230 nan 0.000 0.432 96 H N -1.182 117.693 119.070 -0.325 0.000 2.267 96 H HA -0.211 4.346 4.556 0.002 0.000 0.297 96 H C 1.904 177.206 175.328 -0.043 0.000 1.080 96 H CA 2.613 58.508 56.048 -0.256 0.000 1.278 96 H CB -0.404 29.101 29.762 -0.429 0.000 1.365 96 H HN 0.337 nan 8.280 nan 0.000 0.489 97 F N 0.211 120.281 119.950 0.200 0.000 2.134 97 F HA -0.011 4.517 4.527 0.002 0.000 0.299 97 F C 2.845 178.719 175.800 0.124 0.000 1.097 97 F CA 1.386 59.505 58.000 0.198 0.000 1.264 97 F CB -1.058 38.161 39.000 0.366 0.000 1.001 97 F HN 0.364 nan 8.300 nan 0.000 0.479 98 G N -0.645 108.383 108.800 0.379 0.000 2.418 98 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 98 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 98 G C 1.873 176.858 174.900 0.141 0.000 1.158 98 G CA 0.845 46.016 45.100 0.118 0.000 0.771 98 G HN 0.459 nan 8.290 nan 0.000 0.545 99 A N -0.175 122.840 122.820 0.326 0.000 2.014 99 A HA 0.225 4.546 4.320 0.002 0.000 0.218 99 A C 2.118 179.781 177.584 0.132 0.000 1.163 99 A CA 1.157 53.347 52.037 0.256 0.000 0.652 99 A CB -0.059 19.067 19.000 0.210 0.000 0.808 99 A HN 0.306 nan 8.150 nan 0.000 0.449 100 I N -1.802 118.787 120.570 0.033 0.000 3.883 100 I HA 0.187 4.359 4.170 0.002 0.000 0.305 100 I C 2.581 178.704 176.117 0.010 0.000 1.247 100 I CA 0.598 61.892 61.300 -0.009 0.000 1.350 100 I CB -0.948 36.968 38.000 -0.141 0.000 1.194 100 I HN 0.249 nan 8.210 nan 0.000 0.441 101 A N 0.880 123.746 122.820 0.076 0.000 1.883 101 A HA -0.183 4.138 4.320 0.002 0.000 0.217 101 A C 2.105 179.718 177.584 0.048 0.000 1.186 101 A CA 1.747 53.858 52.037 0.124 0.000 0.624 101 A CB -0.731 18.379 19.000 0.183 0.000 0.822 101 A HN 0.312 nan 8.150 nan 0.000 0.444 102 L N -0.345 120.853 121.223 -0.042 0.000 2.341 102 L HA 0.008 4.349 4.340 0.002 0.000 0.214 102 L C 2.245 179.069 176.870 -0.077 0.000 1.115 102 L CA 1.136 55.933 54.840 -0.072 0.000 0.820 102 L CB -0.429 41.500 42.059 -0.217 0.000 0.944 102 L HN 0.323 nan 8.230 nan 0.000 0.452 103 E N -0.218 119.871 120.200 -0.185 0.000 2.107 103 E HA -0.145 4.206 4.350 0.002 0.000 0.191 103 E C 1.924 178.324 176.600 -0.333 0.000 0.982 103 E CA 0.564 56.700 56.400 -0.439 0.000 0.809 103 E CB 0.021 29.129 29.700 -0.987 0.000 0.756 103 E HN 0.486 nan 8.360 nan 0.000 0.459 104 E N 0.488 120.615 120.200 -0.121 0.000 2.049 104 E HA -0.220 4.131 4.350 0.002 0.000 0.198 104 E C 2.063 178.693 176.600 0.050 0.000 1.007 104 E CA 1.050 57.477 56.400 0.045 0.000 0.809 104 E CB -0.530 29.284 29.700 0.189 0.000 0.749 104 E HN 0.331 nan 8.360 nan 0.000 0.450 105 Y N 1.240 121.517 120.300 -0.038 0.000 2.224 105 Y HA -0.201 4.350 4.550 0.002 0.000 0.289 105 Y C 2.288 178.151 175.900 -0.061 0.000 1.146 105 Y CA 1.549 59.628 58.100 -0.036 0.000 1.182 105 Y CB -0.318 38.125 38.460 -0.029 0.000 0.983 105 Y HN 0.023 nan 8.280 nan 0.000 0.524 106 A N 0.200 122.953 122.820 -0.112 0.000 1.969 106 A HA -0.037 4.284 4.320 0.002 0.000 0.218 106 A C 2.371 179.847 177.584 -0.180 0.000 1.169 106 A CA 1.371 53.304 52.037 -0.173 0.000 0.635 106 A CB -1.341 17.590 19.000 -0.114 0.000 0.810 106 A HN 0.562 nan 8.150 nan 0.000 0.445 107 A N 0.568 123.297 122.820 -0.151 0.000 2.076 107 A HA -0.105 4.216 4.320 0.002 0.000 0.220 107 A C 2.415 179.913 177.584 -0.143 0.000 1.160 107 A CA 2.144 54.124 52.037 -0.095 0.000 0.653 107 A CB -0.866 18.115 19.000 -0.031 0.000 0.801 107 A HN 0.978 nan 8.150 nan 0.000 0.455 108 S N -1.348 114.212 115.700 -0.232 0.000 2.402 108 S HA -0.120 4.351 4.470 0.002 0.000 0.229 108 S C 1.775 176.249 174.600 -0.210 0.000 1.021 108 S CA 1.736 59.789 58.200 -0.244 0.000 0.974 108 S CB -0.931 62.078 63.200 -0.317 0.000 0.800 108 S HN 0.451 nan 8.310 nan 0.000 0.484 109 T N 2.448 116.868 114.554 -0.223 0.000 2.857 109 T HA 0.175 4.526 4.350 0.002 0.000 0.266 109 T C 2.202 176.857 174.700 -0.074 0.000 1.048 109 T CA 1.204 63.220 62.100 -0.140 0.000 1.139 109 T CB -0.707 68.083 68.868 -0.130 0.000 0.874 109 T HN 0.620 nan 8.240 nan 0.000 0.455 110 A N 1.650 124.431 122.820 -0.065 0.000 1.933 110 A HA -0.123 4.198 4.320 0.002 0.000 0.218 110 A C 2.297 179.875 177.584 -0.010 0.000 1.175 110 A CA 1.245 53.270 52.037 -0.020 0.000 0.628 110 A CB -0.334 18.667 19.000 0.003 0.000 0.814 110 A HN 0.348 nan 8.150 nan 0.000 0.444 111 E N -0.104 120.071 120.200 -0.042 0.000 2.072 111 E HA -0.114 4.237 4.350 0.002 0.000 0.191 111 E C 2.397 178.972 176.600 -0.041 0.000 0.985 111 E CA 1.137 57.514 56.400 -0.038 0.000 0.801 111 E CB -0.567 29.082 29.700 -0.085 0.000 0.750 111 E HN 0.569 nan 8.360 nan 0.000 0.452 112 A N 1.646 124.428 122.820 -0.063 0.000 1.940 112 A HA -0.247 4.074 4.320 0.002 0.000 0.219 112 A C 2.199 179.773 177.584 -0.017 0.000 1.176 112 A CA 1.920 53.919 52.037 -0.063 0.000 0.631 112 A CB -0.478 18.477 19.000 -0.075 0.000 0.814 112 A HN 0.059 nan 8.150 nan 0.000 0.446 113 R N -0.486 120.037 120.500 0.040 0.000 2.096 113 R HA -0.126 4.215 4.340 0.002 0.000 0.240 113 R C 2.179 178.571 176.300 0.154 0.000 1.139 113 R CA 2.445 58.641 56.100 0.160 0.000 0.952 113 R CB -0.500 29.863 30.300 0.105 0.000 0.854 113 R HN 0.624 nan 8.270 nan 0.000 0.436 114 M N -1.081 118.552 119.600 0.056 0.000 2.200 114 M HA -0.016 4.465 4.480 0.002 0.000 0.265 114 M C 2.276 178.557 176.300 -0.033 0.000 1.066 114 M CA 1.559 56.869 55.300 0.016 0.000 1.127 114 M CB -0.249 32.353 32.600 0.004 0.000 1.379 114 M HN 0.289 nan 8.290 nan 0.000 0.420 115 A N 0.485 123.272 122.820 -0.056 0.000 1.940 115 A HA -0.212 4.109 4.320 0.002 0.000 0.219 115 A C 2.178 179.674 177.584 -0.148 0.000 1.176 115 A CA 2.015 53.992 52.037 -0.100 0.000 0.631 115 A CB -0.514 18.418 19.000 -0.113 0.000 0.814 115 A HN 0.363 nan 8.150 nan 0.000 0.446 116 R N -1.679 118.681 120.500 -0.234 0.000 2.090 116 R HA 0.153 4.494 4.340 0.002 0.000 0.219 116 R C 0.902 176.880 176.300 -0.537 0.000 1.100 116 R CA 1.344 57.132 56.100 -0.520 0.000 0.991 116 R CB -0.552 29.210 30.300 -0.896 0.000 0.893 116 R HN 0.416 nan 8.270 nan 0.000 0.443 117 F N 0.092 120.044 119.950 0.005 0.000 2.704 117 F HA 0.523 5.052 4.527 0.002 0.000 0.304 117 F C 0.573 176.413 175.800 0.067 0.000 1.094 117 F CA -0.224 57.830 58.000 0.089 0.000 1.275 117 F CB -0.062 38.941 39.000 0.005 0.000 1.073 117 F HN -0.015 nan 8.300 nan 0.000 0.586 118 A N 0.649 123.500 122.820 0.052 0.000 2.440 118 A HA 0.171 4.492 4.320 0.002 0.000 0.251 118 A C 1.377 178.766 177.584 -0.325 0.000 1.089 118 A CA -0.237 51.676 52.037 -0.207 0.000 0.779 118 A CB 0.354 19.204 19.000 -0.250 0.000 1.022 118 A HN 0.358 nan 8.150 nan 0.000 0.492 119 K N 1.564 121.574 120.400 -0.650 0.000 2.366 119 K HA 0.050 4.371 4.320 0.002 0.000 0.198 119 K C 0.745 177.125 176.600 -0.367 0.000 1.044 119 K CA 0.893 56.748 56.287 -0.719 0.000 0.973 119 K CB 0.035 32.059 32.500 -0.793 0.000 0.767 119 K HN 0.740 nan 8.250 nan 0.000 0.475 120 A N 2.370 124.991 122.820 -0.330 0.000 2.350 120 A HA 0.213 4.534 4.320 0.002 0.000 0.293 120 A C -1.956 175.496 177.584 -0.220 0.000 1.231 120 A CA -1.411 50.515 52.037 -0.186 0.000 0.883 120 A CB 0.364 19.163 19.000 -0.335 0.000 1.133 120 A HN -0.059 nan 8.150 nan 0.000 0.533 121 P HA -0.084 nan 4.420 nan 0.000 0.219 121 P C 1.662 178.939 177.300 -0.038 0.000 1.150 121 P CA 1.676 64.751 63.100 -0.041 0.000 0.814 121 P CB 0.187 31.901 31.700 0.022 0.000 0.787 122 G N -0.067 108.737 108.800 0.007 0.000 2.432 122 G HA2 -0.282 3.679 3.960 0.002 0.000 0.219 122 G HA3 -0.282 3.679 3.960 0.002 0.000 0.219 122 G C 1.717 176.623 174.900 0.009 0.000 1.135 122 G CA 0.593 45.757 45.100 0.107 0.000 0.767 122 G HN 0.244 nan 8.290 nan 0.000 0.550 123 N N 0.885 119.340 118.700 -0.410 0.000 2.120 123 N HA -0.057 4.684 4.740 0.002 0.000 0.188 123 N C 2.322 177.742 175.510 -0.151 0.000 1.024 123 N CA 0.820 53.623 53.050 -0.412 0.000 0.852 123 N CB -0.302 37.710 38.487 -0.791 0.000 1.003 123 N HN 0.299 nan 8.380 nan 0.000 0.424 124 R N -0.052 120.360 120.500 -0.147 0.000 2.081 124 R HA -0.009 4.332 4.340 0.002 0.000 0.235 124 R C 1.524 177.779 176.300 -0.076 0.000 1.131 124 R CA 1.229 57.272 56.100 -0.094 0.000 0.960 124 R CB -0.261 29.993 30.300 -0.075 0.000 0.856 124 R HN 0.316 nan 8.270 nan 0.000 0.436 125 N N 0.223 118.895 118.700 -0.047 0.000 2.171 125 N HA -0.069 4.672 4.740 0.002 0.000 0.184 125 N C 1.704 177.226 175.510 0.020 0.000 1.021 125 N CA 1.078 54.089 53.050 -0.065 0.000 0.854 125 N CB -0.107 38.371 38.487 -0.014 0.000 0.994 125 N HN 0.067 nan 8.380 nan 0.000 0.426 126 M N 0.762 120.471 119.600 0.183 0.000 2.213 126 M HA 0.020 4.501 4.480 0.002 0.000 0.263 126 M C 1.931 178.364 176.300 0.222 0.000 1.062 126 M CA 0.740 56.236 55.300 0.326 0.000 1.105 126 M CB -1.226 31.572 32.600 0.330 0.000 1.385 126 M HN 0.120 nan 8.290 nan 0.000 0.417 127 A N -0.763 122.111 122.820 0.091 0.000 2.014 127 A HA -0.078 4.243 4.320 0.002 0.000 0.218 127 A C 2.262 179.821 177.584 -0.042 0.000 1.163 127 A CA 1.776 53.835 52.037 0.036 0.000 0.652 127 A CB -0.848 18.151 19.000 -0.001 0.000 0.808 127 A HN 0.467 nan 8.150 nan 0.000 0.449 128 T N -0.392 114.085 114.554 -0.128 0.000 2.777 128 T HA -0.068 4.283 4.350 0.002 0.000 0.266 128 T C 1.449 175.978 174.700 -0.285 0.000 1.040 128 T CA 1.438 63.389 62.100 -0.249 0.000 1.141 128 T CB -0.403 68.246 68.868 -0.366 0.000 0.868 128 T HN 0.409 nan 8.240 nan 0.000 0.444 129 F N 1.695 121.577 119.950 -0.114 0.000 2.186 129 F HA 0.119 4.647 4.527 0.002 0.000 0.299 129 F C 2.668 178.418 175.800 -0.082 0.000 1.090 129 F CA 0.605 58.478 58.000 -0.211 0.000 1.307 129 F CB -1.257 37.682 39.000 -0.102 0.000 1.019 129 F HN 0.216 nan 8.300 nan 0.000 0.489 130 G N -0.214 108.679 108.800 0.156 0.000 2.440 130 G HA2 -0.304 3.657 3.960 0.002 0.000 0.218 130 G HA3 -0.304 3.657 3.960 0.002 0.000 0.218 130 G C 1.739 176.537 174.900 -0.170 0.000 1.154 130 G CA 0.910 45.983 45.100 -0.046 0.000 0.767 130 G HN 0.361 nan 8.290 nan 0.000 0.552 131 M N -0.169 119.363 119.600 -0.114 0.000 2.080 131 M HA -0.068 4.413 4.480 0.002 0.000 0.260 131 M C 2.499 178.733 176.300 -0.111 0.000 1.068 131 M CA 1.574 56.794 55.300 -0.133 0.000 1.109 131 M CB -0.225 32.302 32.600 -0.122 0.000 1.342 131 M HN 0.126 nan 8.290 nan 0.000 0.405 132 M N 0.648 120.203 119.600 -0.075 0.000 2.080 132 M HA -0.219 4.262 4.480 0.002 0.000 0.260 132 M C 1.614 177.944 176.300 0.050 0.000 1.068 132 M CA 1.793 57.095 55.300 0.004 0.000 1.109 132 M CB -1.664 30.924 32.600 -0.020 0.000 1.342 132 M HN 0.301 nan 8.290 nan 0.000 0.405 133 D N 0.344 120.764 120.400 0.034 0.000 2.104 133 D HA -0.151 4.490 4.640 0.002 0.000 0.194 133 D C 2.002 178.011 176.300 -0.485 0.000 0.994 133 D CA 1.124 55.051 54.000 -0.120 0.000 0.830 133 D CB -0.220 40.546 40.800 -0.057 0.000 0.959 133 D HN 0.344 nan 8.370 nan 0.000 0.452 134 E N 0.657 120.633 120.200 -0.373 0.000 2.150 134 E HA -0.126 4.225 4.350 0.002 0.000 0.193 134 E C 1.821 178.386 176.600 -0.058 0.000 0.985 134 E CA 0.153 56.406 56.400 -0.246 0.000 0.814 134 E CB -0.450 29.134 29.700 -0.193 0.000 0.752 134 E HN 0.395 nan 8.360 nan 0.000 0.466 135 N N 1.743 120.420 118.700 -0.038 0.000 2.069 135 N HA -0.228 4.513 4.740 0.002 0.000 0.191 135 N C 1.978 177.581 175.510 0.156 0.000 1.031 135 N CA 1.300 54.413 53.050 0.106 0.000 0.852 135 N CB -0.051 38.483 38.487 0.080 0.000 1.018 135 N HN 0.133 nan 8.380 nan 0.000 0.423 136 R N -0.124 120.438 120.500 0.103 0.000 2.080 136 R HA -0.153 4.188 4.340 0.002 0.000 0.236 136 R C 2.201 178.671 176.300 0.283 0.000 1.137 136 R CA 1.901 58.108 56.100 0.178 0.000 0.943 136 R CB -0.495 29.911 30.300 0.178 0.000 0.846 136 R HN 0.540 nan 8.270 nan 0.000 0.431 137 H N -1.766 117.401 119.070 0.161 0.000 2.387 137 H HA -0.053 4.504 4.556 0.002 0.000 0.299 137 H C 2.025 177.461 175.328 0.181 0.000 1.090 137 H CA 0.545 56.694 56.048 0.167 0.000 1.332 137 H CB -0.070 29.795 29.762 0.172 0.000 1.386 137 H HN 0.501 nan 8.280 nan 0.000 0.516 138 G N 0.491 109.479 108.800 0.313 0.000 2.402 138 G HA2 -0.220 3.741 3.960 0.002 0.000 0.216 138 G HA3 -0.220 3.741 3.960 0.002 0.000 0.216 138 G C 1.486 176.515 174.900 0.215 0.000 1.162 138 G CA 0.393 45.653 45.100 0.268 0.000 0.777 138 G HN 0.395 nan 8.290 nan 0.000 0.539 139 Q N -0.410 119.522 119.800 0.219 0.000 2.046 139 Q HA 0.096 4.437 4.340 0.002 0.000 0.200 139 Q C 2.473 178.625 176.000 0.252 0.000 0.975 139 Q CA 0.860 56.779 55.803 0.193 0.000 0.836 139 Q CB -0.144 28.698 28.738 0.173 0.000 0.896 139 Q HN 0.509 nan 8.270 nan 0.000 0.428 140 I N 0.647 121.373 120.570 0.260 0.000 2.493 140 I HA -0.245 3.926 4.170 0.002 0.000 0.254 140 I C 1.482 177.710 176.117 0.186 0.000 1.160 140 I CA 1.079 62.522 61.300 0.238 0.000 1.445 140 I CB 0.158 38.215 38.000 0.095 0.000 1.086 140 I HN 0.260 nan 8.210 nan 0.000 0.433 141 Q N 0.008 119.934 119.800 0.210 0.000 2.444 141 Q HA 0.047 4.388 4.340 0.002 0.000 0.206 141 Q C 1.705 177.819 176.000 0.190 0.000 0.948 141 Q CA 0.362 56.342 55.803 0.295 0.000 0.946 141 Q CB 0.544 29.538 28.738 0.427 0.000 1.027 141 Q HN 0.554 nan 8.270 nan 0.000 0.513 142 L N -1.817 119.517 121.223 0.185 0.000 2.362 142 L HA -0.002 4.340 4.340 0.002 0.000 0.204 142 L C 1.876 178.846 176.870 0.167 0.000 1.060 142 L CA 0.318 55.243 54.840 0.142 0.000 0.827 142 L CB -0.222 41.919 42.059 0.136 0.000 1.027 142 L HN 0.177 nan 8.230 nan 0.000 0.474 143 Y N 0.348 120.731 120.300 0.139 0.000 2.207 143 Y HA -0.279 4.272 4.550 0.002 0.000 0.287 143 Y C 2.284 178.288 175.900 0.173 0.000 1.156 143 Y CA 1.577 59.775 58.100 0.164 0.000 1.182 143 Y CB -0.161 38.463 38.460 0.273 0.000 0.979 143 Y HN -0.022 nan 8.280 nan 0.000 0.521 144 F N 0.671 120.599 119.950 -0.037 0.000 2.084 144 F HA -0.092 4.436 4.527 0.002 0.000 0.296 144 F C -0.233 175.378 175.800 -0.314 0.000 1.111 144 F CA 1.260 59.169 58.000 -0.151 0.000 1.224 144 F CB -1.998 36.983 39.000 -0.032 0.000 0.991 144 F HN 0.077 nan 8.300 nan 0.000 0.471 145 P HA -0.203 nan 4.420 nan 0.000 0.221 145 P C 1.534 178.713 177.300 -0.202 0.000 1.150 145 P CA 1.293 64.159 63.100 -0.391 0.000 0.800 145 P CB -0.418 31.005 31.700 -0.462 0.000 0.787 146 Y N 2.139 122.297 120.300 -0.236 0.000 2.241 146 Y HA -0.194 4.357 4.550 0.002 0.000 0.286 146 Y C 2.478 178.211 175.900 -0.280 0.000 1.166 146 Y CA 1.562 59.541 58.100 -0.201 0.000 1.203 146 Y CB -1.129 37.211 38.460 -0.200 0.000 0.977 146 Y HN -0.039 nan 8.280 nan 0.000 0.529 147 A N 0.175 122.798 122.820 -0.327 0.000 2.084 147 A HA -0.242 4.079 4.320 0.002 0.000 0.221 147 A C 1.715 179.030 177.584 -0.447 0.000 1.161 147 A CA 2.047 53.847 52.037 -0.394 0.000 0.653 147 A CB -0.534 18.246 19.000 -0.367 0.000 0.802 147 A HN 0.615 nan 8.150 nan 0.000 0.457 148 N N -0.513 117.847 118.700 -0.567 0.000 2.203 148 N HA 0.057 4.798 4.740 0.002 0.000 0.207 148 N C 1.464 176.707 175.510 -0.445 0.000 1.130 148 N CA 0.898 53.509 53.050 -0.732 0.000 0.861 148 N CB 0.463 37.895 38.487 -1.759 0.000 1.005 148 N HN 0.445 nan 8.380 nan 0.000 0.507 149 V N -0.761 118.967 119.914 -0.310 0.000 2.490 149 V HA -0.128 3.993 4.120 0.002 0.000 0.250 149 V C 1.752 177.820 176.094 -0.043 0.000 1.061 149 V CA 1.372 63.611 62.300 -0.102 0.000 1.064 149 V CB -0.594 31.109 31.823 -0.200 0.000 0.670 149 V HN 0.041 nan 8.190 nan 0.000 0.461 150 K N 0.080 120.406 120.400 -0.123 0.000 2.439 150 K HA 0.069 4.390 4.320 0.002 0.000 0.197 150 K C 2.291 178.888 176.600 -0.004 0.000 1.041 150 K CA 0.737 56.986 56.287 -0.063 0.000 0.970 150 K CB -0.125 32.318 32.500 -0.095 0.000 0.773 150 K HN 0.516 nan 8.250 nan 0.000 0.479 151 R N -0.340 120.174 120.500 0.023 0.000 2.161 151 R HA 0.085 4.426 4.340 0.002 0.000 0.213 151 R C 0.470 176.891 176.300 0.202 0.000 1.055 151 R CA 0.383 56.544 56.100 0.102 0.000 0.996 151 R CB 0.460 30.820 30.300 0.101 0.000 0.901 151 R HN -0.085 nan 8.270 nan 0.000 0.456 152 S N -1.041 114.835 115.700 0.294 0.000 2.579 152 S HA 0.185 4.656 4.470 0.002 0.000 0.290 152 S C -0.452 174.299 174.600 0.252 0.000 1.123 152 S CA -0.815 57.533 58.200 0.248 0.000 0.894 152 S CB 1.502 64.836 63.200 0.224 0.000 1.095 152 S HN 0.080 nan 8.310 nan 0.000 0.450 153 R N 2.657 123.253 120.500 0.160 0.000 2.241 153 R HA 0.128 4.469 4.340 0.002 0.000 0.224 153 R C 1.663 178.091 176.300 0.212 0.000 1.101 153 R CA 1.758 57.967 56.100 0.182 0.000 0.995 153 R CB -0.197 30.193 30.300 0.150 0.000 0.870 153 R HN 0.667 nan 8.270 nan 0.000 0.463 154 K N -1.544 118.909 120.400 0.088 0.000 2.209 154 K HA -0.151 4.170 4.320 0.002 0.000 0.204 154 K C 1.394 178.047 176.600 0.088 0.000 1.048 154 K CA 1.502 57.791 56.287 0.002 0.000 0.940 154 K CB -0.106 32.296 32.500 -0.163 0.000 0.729 154 K HN 0.302 nan 8.250 nan 0.000 0.451 155 W N 1.040 122.464 121.300 0.207 0.000 2.519 155 W HA -0.107 4.554 4.660 0.002 0.000 0.266 155 W C 1.670 178.299 176.519 0.184 0.000 1.253 155 W CA 0.430 57.886 57.345 0.184 0.000 1.274 155 W CB -0.189 29.327 29.460 0.092 0.000 1.114 155 W HN 0.152 nan 8.180 nan 0.000 0.596 156 D N -0.787 119.840 120.400 0.380 0.000 2.221 156 D HA -0.214 4.427 4.640 0.002 0.000 0.204 156 D C 1.452 177.892 176.300 0.233 0.000 0.982 156 D CA 1.173 55.340 54.000 0.277 0.000 0.857 156 D CB -0.269 40.673 40.800 0.237 0.000 0.934 156 D HN 0.072 nan 8.370 nan 0.000 0.475 157 W N 0.667 121.962 121.300 -0.009 0.000 2.825 157 W HA 0.275 4.936 4.660 0.002 0.000 0.243 157 W C 2.282 178.683 176.519 -0.195 0.000 1.293 157 W CA 0.586 57.793 57.345 -0.230 0.000 1.403 157 W CB -0.588 28.514 29.460 -0.596 0.000 1.134 157 W HN 0.018 nan 8.180 nan 0.000 0.666 158 A N -0.710 122.228 122.820 0.197 0.000 1.940 158 A HA -0.268 4.053 4.320 0.002 0.000 0.219 158 A C 1.986 179.637 177.584 0.111 0.000 1.176 158 A CA 2.137 54.301 52.037 0.212 0.000 0.631 158 A CB -0.826 18.340 19.000 0.277 0.000 0.814 158 A HN 0.446 nan 8.150 nan 0.000 0.446 159 H N -0.906 118.175 119.070 0.018 0.000 2.439 159 H HA 0.133 4.690 4.556 0.002 0.000 0.299 159 H C 1.965 177.242 175.328 -0.085 0.000 1.033 159 H CA 1.482 57.522 56.048 -0.014 0.000 1.348 159 H CB -0.015 29.758 29.762 0.018 0.000 1.449 159 H HN 0.524 nan 8.280 nan 0.000 0.544 160 K N 0.519 120.884 120.400 -0.057 0.000 2.155 160 K HA 0.003 4.324 4.320 0.002 0.000 0.203 160 K C 2.212 178.464 176.600 -0.579 0.000 1.052 160 K CA 0.819 56.919 56.287 -0.311 0.000 0.948 160 K CB 0.020 32.095 32.500 -0.710 0.000 0.728 160 K HN 0.191 nan 8.250 nan 0.000 0.448 161 A N 1.766 124.182 122.820 -0.673 0.000 1.892 161 A HA -0.179 4.143 4.320 0.002 0.000 0.218 161 A C 1.888 179.233 177.584 -0.398 0.000 1.188 161 A CA 1.532 53.156 52.037 -0.689 0.000 0.631 161 A CB -0.535 18.017 19.000 -0.746 0.000 0.822 161 A HN 0.322 nan 8.150 nan 0.000 0.447 162 I N -0.306 120.062 120.570 -0.337 0.000 3.291 162 I HA -0.084 4.087 4.170 0.002 0.000 0.279 162 I C 1.220 177.143 176.117 -0.323 0.000 1.294 162 I CA 0.905 62.046 61.300 -0.264 0.000 1.428 162 I CB -1.394 36.447 38.000 -0.265 0.000 1.070 162 I HN 0.401 nan 8.210 nan 0.000 0.478 163 H N 0.770 119.708 119.070 -0.220 0.000 2.533 163 H HA 0.137 4.694 4.556 0.002 0.000 0.271 163 H C 0.985 176.197 175.328 -0.193 0.000 1.000 163 H CA 0.260 56.200 56.048 -0.180 0.000 1.149 163 H CB 0.282 29.937 29.762 -0.179 0.000 1.375 163 H HN 0.330 nan 8.280 nan 0.000 0.582 164 T N -2.215 112.260 114.554 -0.132 0.000 2.949 164 T HA 0.233 4.584 4.350 0.002 0.000 0.287 164 T C 0.833 175.515 174.700 -0.031 0.000 1.034 164 T CA -0.975 61.053 62.100 -0.121 0.000 1.018 164 T CB 1.766 70.515 68.868 -0.199 0.000 1.135 164 T HN -0.055 nan 8.240 nan 0.000 0.532 165 N N 0.981 119.654 118.700 -0.045 0.000 2.327 165 N HA 0.095 4.837 4.740 0.002 0.000 0.231 165 N C 0.069 175.691 175.510 0.186 0.000 1.130 165 N CA -0.135 52.927 53.050 0.020 0.000 0.845 165 N CB 0.143 38.496 38.487 -0.223 0.000 1.073 165 N HN 0.661 nan 8.380 nan 0.000 0.496 166 E N 1.177 121.520 120.200 0.238 0.000 2.413 166 E HA -0.095 4.256 4.350 0.002 0.000 0.263 166 E C 1.147 177.896 176.600 0.248 0.000 1.015 166 E CA -0.354 56.241 56.400 0.326 0.000 0.916 166 E CB 0.563 30.571 29.700 0.513 0.000 0.947 166 E HN 0.351 nan 8.360 nan 0.000 0.440 167 W N 4.217 125.670 121.300 0.255 0.000 2.402 167 W HA -0.097 4.564 4.660 0.002 0.000 0.286 167 W C 1.116 177.773 176.519 0.229 0.000 1.221 167 W CA 0.941 58.406 57.345 0.200 0.000 1.257 167 W CB -0.943 28.579 29.460 0.103 0.000 1.120 167 W HN 0.500 nan 8.180 nan 0.000 0.551 168 A N 1.768 124.099 122.820 -0.816 0.000 1.929 168 A HA 0.129 4.450 4.320 0.002 0.000 0.216 168 A C 2.375 179.982 177.584 0.038 0.000 1.176 168 A CA 2.432 54.117 52.037 -0.588 0.000 0.628 168 A CB -1.061 17.478 19.000 -0.769 0.000 0.816 168 A HN 0.306 nan 8.150 nan 0.000 0.444 169 A N 0.210 123.145 122.820 0.193 0.000 1.908 169 A HA -0.114 4.207 4.320 0.002 0.000 0.218 169 A C 2.105 179.800 177.584 0.185 0.000 1.181 169 A CA 1.591 53.753 52.037 0.208 0.000 0.627 169 A CB -0.604 18.493 19.000 0.161 0.000 0.818 169 A HN 0.493 nan 8.150 nan 0.000 0.445 170 I N -0.397 120.298 120.570 0.208 0.000 2.252 170 I HA -0.263 3.908 4.170 0.002 0.000 0.245 170 I C 2.959 179.223 176.117 0.244 0.000 1.102 170 I CA 1.006 62.450 61.300 0.241 0.000 1.385 170 I CB -0.331 37.850 38.000 0.301 0.000 1.064 170 I HN 0.367 nan 8.210 nan 0.000 0.414 171 A N 0.717 123.685 122.820 0.247 0.000 1.933 171 A HA -0.147 4.174 4.320 0.002 0.000 0.218 171 A C 2.527 180.225 177.584 0.191 0.000 1.175 171 A CA 1.809 53.982 52.037 0.227 0.000 0.628 171 A CB -0.722 18.425 19.000 0.246 0.000 0.814 171 A HN 0.434 nan 8.150 nan 0.000 0.444 172 A N -0.192 122.754 122.820 0.210 0.000 1.873 172 A HA -0.131 4.190 4.320 0.002 0.000 0.215 172 A C 2.250 180.053 177.584 0.366 0.000 1.186 172 A CA 1.400 53.613 52.037 0.294 0.000 0.616 172 A CB -0.443 18.770 19.000 0.355 0.000 0.823 172 A HN 0.528 nan 8.150 nan 0.000 0.442 173 R N -0.574 120.088 120.500 0.270 0.000 2.115 173 R HA -0.084 4.257 4.340 0.002 0.000 0.230 173 R C 2.594 178.991 176.300 0.163 0.000 1.111 173 R CA 1.277 57.509 56.100 0.221 0.000 0.976 173 R CB -0.408 29.981 30.300 0.149 0.000 0.870 173 R HN 0.575 nan 8.270 nan 0.000 0.445 174 S N 0.638 116.427 115.700 0.149 0.000 2.359 174 S HA -0.200 4.271 4.470 0.002 0.000 0.224 174 S C 1.691 176.336 174.600 0.075 0.000 1.035 174 S CA 1.277 59.529 58.200 0.087 0.000 1.018 174 S CB -0.259 63.007 63.200 0.110 0.000 0.876 174 S HN 0.352 nan 8.310 nan 0.000 0.448 175 F N 1.237 121.142 119.950 -0.075 0.000 2.039 175 F HA 0.037 4.565 4.527 0.002 0.000 0.294 175 F C 1.708 177.344 175.800 -0.275 0.000 1.130 175 F CA 1.647 59.496 58.000 -0.253 0.000 1.189 175 F CB -0.913 37.787 39.000 -0.500 0.000 0.983 175 F HN 0.266 nan 8.300 nan 0.000 0.471 176 F N 1.148 120.974 119.950 -0.207 0.000 2.171 176 F HA -0.171 4.357 4.527 0.002 0.000 0.300 176 F C 2.309 177.952 175.800 -0.262 0.000 1.090 176 F CA 1.667 59.465 58.000 -0.338 0.000 1.293 176 F CB -1.056 37.886 39.000 -0.096 0.000 1.013 176 F HN 0.016 nan 8.300 nan 0.000 0.486 177 D N -0.249 120.162 120.400 0.019 0.000 2.144 177 D HA -0.171 4.470 4.640 0.002 0.000 0.199 177 D C 1.942 178.189 176.300 -0.088 0.000 0.984 177 D CA 1.354 55.344 54.000 -0.018 0.000 0.834 177 D CB -0.451 40.353 40.800 0.007 0.000 0.955 177 D HN 0.206 nan 8.370 nan 0.000 0.465 178 D N -0.629 119.692 120.400 -0.132 0.000 2.123 178 D HA -0.076 4.565 4.640 0.002 0.000 0.200 178 D C 1.898 178.090 176.300 -0.181 0.000 0.976 178 D CA 0.701 54.620 54.000 -0.135 0.000 0.831 178 D CB 0.106 40.875 40.800 -0.052 0.000 0.974 178 D HN -0.035 nan 8.370 nan 0.000 0.469 179 M N -0.341 119.056 119.600 -0.340 0.000 2.236 179 M HA 0.025 4.506 4.480 0.002 0.000 0.266 179 M C 2.184 178.394 176.300 -0.150 0.000 1.070 179 M CA 1.101 56.207 55.300 -0.324 0.000 1.137 179 M CB -0.608 31.565 32.600 -0.711 0.000 1.378 179 M HN 0.313 nan 8.290 nan 0.000 0.426 180 M N -3.529 115.999 119.600 -0.121 0.000 2.188 180 M HA 0.198 4.679 4.480 0.002 0.000 0.310 180 M C 0.873 177.159 176.300 -0.024 0.000 0.993 180 M CA 0.257 55.539 55.300 -0.030 0.000 1.127 180 M CB 0.556 33.174 32.600 0.030 0.000 1.927 180 M HN -0.084 nan 8.290 nan 0.000 0.655 181 M N 1.336 120.913 119.600 -0.038 0.000 2.414 181 M HA 0.262 4.743 4.480 0.002 0.000 0.251 181 M C 0.986 177.257 176.300 -0.048 0.000 1.116 181 M CA 1.047 56.327 55.300 -0.033 0.000 1.056 181 M CB -0.067 32.521 32.600 -0.021 0.000 1.388 181 M HN 0.506 nan 8.290 nan 0.000 0.487 182 T N -1.966 112.548 114.554 -0.066 0.000 3.337 182 T HA 0.402 4.753 4.350 0.002 0.000 0.299 182 T C 0.311 174.955 174.700 -0.094 0.000 0.998 182 T CA -0.534 61.517 62.100 -0.082 0.000 0.948 182 T CB 0.843 69.654 68.868 -0.095 0.000 1.170 182 T HN -0.004 nan 8.240 nan 0.000 0.508 183 R N 2.158 122.611 120.500 -0.078 0.000 2.778 183 R HA 0.512 4.853 4.340 0.002 0.000 0.277 183 R C -0.711 175.546 176.300 -0.073 0.000 0.977 183 R CA -0.559 55.498 56.100 -0.072 0.000 0.950 183 R CB 1.377 31.648 30.300 -0.048 0.000 1.165 183 R HN 0.557 nan 8.270 nan 0.000 0.474 184 D N -0.523 119.829 120.400 -0.080 0.000 2.361 184 D HA -0.057 4.585 4.640 0.002 0.000 0.239 184 D C 1.017 177.285 176.300 -0.054 0.000 1.200 184 D CA -0.239 53.705 54.000 -0.093 0.000 0.915 184 D CB 0.646 41.389 40.800 -0.094 0.000 1.170 184 D HN 0.328 nan 8.370 nan 0.000 0.444 185 S N 0.494 116.165 115.700 -0.049 0.000 2.365 185 S HA -0.213 4.258 4.470 0.002 0.000 0.225 185 S C 1.792 176.365 174.600 -0.045 0.000 1.039 185 S CA 1.457 59.643 58.200 -0.023 0.000 1.033 185 S CB -0.508 62.685 63.200 -0.012 0.000 0.887 185 S HN 0.427 nan 8.310 nan 0.000 0.447 186 V N 1.965 121.823 119.914 -0.094 0.000 2.358 186 V HA -0.077 4.044 4.120 0.002 0.000 0.246 186 V C 2.883 179.001 176.094 0.041 0.000 1.047 186 V CA 1.670 63.939 62.300 -0.053 0.000 1.035 186 V CB -1.357 30.420 31.823 -0.076 0.000 0.658 186 V HN 0.633 nan 8.190 nan 0.000 0.452 187 A N -0.230 122.607 122.820 0.028 0.000 1.933 187 A HA -0.165 4.156 4.320 0.002 0.000 0.218 187 A C 2.393 180.019 177.584 0.070 0.000 1.175 187 A CA 2.042 54.110 52.037 0.051 0.000 0.628 187 A CB -0.665 18.346 19.000 0.019 0.000 0.814 187 A HN 0.335 nan 8.150 nan 0.000 0.444 188 V N 0.946 120.891 119.914 0.051 0.000 2.343 188 V HA -0.266 3.855 4.120 0.002 0.000 0.247 188 V C 3.046 179.220 176.094 0.133 0.000 1.051 188 V CA 2.427 64.772 62.300 0.075 0.000 1.036 188 V CB -0.952 30.903 31.823 0.054 0.000 0.654 188 V HN 0.849 nan 8.190 nan 0.000 0.451 189 S N 0.147 115.926 115.700 0.131 0.000 2.383 189 S HA -0.173 4.298 4.470 0.002 0.000 0.229 189 S C 1.917 176.664 174.600 0.245 0.000 1.030 189 S CA 1.608 59.923 58.200 0.192 0.000 1.002 189 S CB -0.409 62.903 63.200 0.187 0.000 0.829 189 S HN 0.399 nan 8.310 nan 0.000 0.467 190 I N 1.655 122.353 120.570 0.212 0.000 2.235 190 I HA 0.055 4.226 4.170 0.002 0.000 0.241 190 I C 2.687 179.008 176.117 0.341 0.000 1.085 190 I CA 1.174 62.622 61.300 0.245 0.000 1.378 190 I CB -1.388 36.703 38.000 0.153 0.000 1.076 190 I HN 0.370 nan 8.210 nan 0.000 0.415 191 M N -0.302 119.452 119.600 0.256 0.000 2.156 191 M HA -0.154 4.327 4.480 0.002 0.000 0.264 191 M C 2.230 178.708 176.300 0.297 0.000 1.067 191 M CA 1.508 56.962 55.300 0.257 0.000 1.131 191 M CB -0.333 32.350 32.600 0.138 0.000 1.368 191 M HN 0.171 nan 8.290 nan 0.000 0.416 192 L N 0.184 121.564 121.223 0.261 0.000 2.022 192 L HA -0.082 4.259 4.340 0.002 0.000 0.204 192 L C 2.689 179.814 176.870 0.424 0.000 1.076 192 L CA 2.384 57.422 54.840 0.331 0.000 0.749 192 L CB -1.036 41.173 42.059 0.249 0.000 0.903 192 L HN 0.419 nan 8.230 nan 0.000 0.439 193 T N -3.031 111.746 114.554 0.371 0.000 2.896 193 T HA -0.146 4.205 4.350 0.002 0.000 0.263 193 T C 1.826 176.745 174.700 0.365 0.000 1.050 193 T CA 1.287 63.607 62.100 0.365 0.000 1.140 193 T CB -0.875 68.198 68.868 0.341 0.000 0.877 193 T HN 0.292 nan 8.240 nan 0.000 0.457 194 F N 2.319 122.426 119.950 0.261 0.000 2.104 194 F HA 0.450 4.978 4.527 0.002 0.000 0.288 194 F C 2.658 178.665 175.800 0.344 0.000 1.107 194 F CA 0.884 59.036 58.000 0.252 0.000 1.208 194 F CB -0.801 38.337 39.000 0.230 0.000 1.033 194 F HN 0.224 nan 8.300 nan 0.000 0.478 195 A N -0.315 122.798 122.820 0.488 0.000 1.872 195 A HA -0.118 4.203 4.320 0.002 0.000 0.214 195 A C 2.077 180.045 177.584 0.639 0.000 1.187 195 A CA 1.593 53.950 52.037 0.534 0.000 0.614 195 A CB -1.434 17.919 19.000 0.589 0.000 0.826 195 A HN 0.528 nan 8.150 nan 0.000 0.442 196 F N 0.411 120.615 119.950 0.422 0.000 2.179 196 F HA 0.093 4.621 4.527 0.002 0.000 0.292 196 F C 2.205 178.211 175.800 0.342 0.000 1.089 196 F CA 1.648 59.909 58.000 0.436 0.000 1.295 196 F CB -0.142 39.109 39.000 0.418 0.000 1.041 196 F HN 0.302 nan 8.300 nan 0.000 0.487 197 E N -0.745 119.598 120.200 0.239 0.000 2.042 197 E HA -0.096 4.255 4.350 0.002 0.000 0.189 197 E C 2.059 178.624 176.600 -0.058 0.000 0.974 197 E CA 1.555 57.969 56.400 0.022 0.000 0.806 197 E CB -0.334 29.470 29.700 0.174 0.000 0.769 197 E HN 0.258 nan 8.360 nan 0.000 0.451 198 T N 0.317 114.857 114.554 -0.024 0.000 2.746 198 T HA -0.109 4.242 4.350 0.002 0.000 0.267 198 T C 1.864 176.384 174.700 -0.300 0.000 1.039 198 T CA 1.282 63.300 62.100 -0.136 0.000 1.142 198 T CB -0.411 68.382 68.868 -0.125 0.000 0.866 198 T HN 0.328 nan 8.240 nan 0.000 0.444 199 G N -0.959 107.648 108.800 -0.322 0.000 2.430 199 G HA2 0.083 4.045 3.960 0.002 0.000 0.216 199 G HA3 0.083 4.045 3.960 0.002 0.000 0.216 199 G C 0.969 175.410 174.900 -0.766 0.000 1.146 199 G CA 0.292 44.945 45.100 -0.745 0.000 0.793 199 G HN 0.484 nan 8.290 nan 0.000 0.537 200 F N -0.459 119.298 119.950 -0.321 0.000 2.212 200 F HA 0.120 4.649 4.527 0.002 0.000 0.262 200 F C 2.857 178.542 175.800 -0.191 0.000 0.906 200 F CA 0.843 58.633 58.000 -0.350 0.000 1.127 200 F CB -0.160 38.513 39.000 -0.543 0.000 1.178 200 F HN 0.058 nan 8.300 nan 0.000 0.779 201 T N -1.822 112.655 114.554 -0.128 0.000 2.951 201 T HA -0.091 4.260 4.350 0.002 0.000 0.268 201 T C 1.641 176.278 174.700 -0.105 0.000 1.073 201 T CA 1.512 63.540 62.100 -0.120 0.000 1.134 201 T CB -0.500 68.094 68.868 -0.456 0.000 0.884 201 T HN 0.071 nan 8.240 nan 0.000 0.479 202 N N 1.030 119.655 118.700 -0.125 0.000 2.069 202 N HA -0.048 4.693 4.740 0.002 0.000 0.191 202 N C 1.732 177.241 175.510 -0.000 0.000 1.031 202 N CA 1.498 54.490 53.050 -0.096 0.000 0.852 202 N CB -0.425 37.992 38.487 -0.117 0.000 1.018 202 N HN 0.302 nan 8.380 nan 0.000 0.423 203 M N 0.441 120.055 119.600 0.023 0.000 2.334 203 M HA 0.066 4.548 4.480 0.002 0.000 0.266 203 M C 1.984 178.468 176.300 0.307 0.000 1.082 203 M CA 0.941 56.278 55.300 0.061 0.000 1.141 203 M CB -0.396 32.185 32.600 -0.032 0.000 1.380 203 M HN 0.234 nan 8.290 nan 0.000 0.440 204 Q N -0.839 119.265 119.800 0.507 0.000 2.112 204 Q HA -0.225 4.117 4.340 0.002 0.000 0.206 204 Q C 1.680 177.941 176.000 0.435 0.000 0.987 204 Q CA 1.830 58.002 55.803 0.615 0.000 0.858 204 Q CB -0.180 29.028 28.738 0.784 0.000 0.905 204 Q HN 0.422 nan 8.270 nan 0.000 0.420 205 F N 0.090 120.099 119.950 0.099 0.000 2.206 205 F HA -0.147 4.381 4.527 0.002 0.000 0.298 205 F C 2.043 177.827 175.800 -0.027 0.000 1.090 205 F CA 0.404 58.415 58.000 0.017 0.000 1.323 205 F CB -0.489 38.505 39.000 -0.010 0.000 1.028 205 F HN 0.142 nan 8.300 nan 0.000 0.492 206 L N 0.065 121.371 121.223 0.139 0.000 2.012 206 L HA -0.155 4.186 4.340 0.002 0.000 0.210 206 L C 2.722 179.573 176.870 -0.031 0.000 1.073 206 L CA 2.108 56.947 54.840 -0.001 0.000 0.748 206 L CB -1.849 40.155 42.059 -0.093 0.000 0.891 206 L HN 0.200 nan 8.230 nan 0.000 0.431 207 G N -1.074 107.731 108.800 0.008 0.000 2.418 207 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 207 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 207 G C 1.656 176.519 174.900 -0.062 0.000 1.158 207 G CA 0.896 45.976 45.100 -0.033 0.000 0.771 207 G HN 0.365 nan 8.290 nan 0.000 0.545 208 L N 1.253 122.443 121.223 -0.055 0.000 2.093 208 L HA 0.254 4.595 4.340 0.002 0.000 0.208 208 L C 2.996 179.866 176.870 -0.000 0.000 1.085 208 L CA 2.005 56.814 54.840 -0.050 0.000 0.755 208 L CB -0.652 41.312 42.059 -0.158 0.000 0.904 208 L HN 0.218 nan 8.230 nan 0.000 0.435 209 A N -0.418 122.368 122.820 -0.057 0.000 1.933 209 A HA -0.065 4.256 4.320 0.002 0.000 0.218 209 A C 2.459 180.015 177.584 -0.046 0.000 1.175 209 A CA 1.646 53.656 52.037 -0.045 0.000 0.628 209 A CB -1.107 17.851 19.000 -0.071 0.000 0.814 209 A HN 0.563 nan 8.150 nan 0.000 0.444 210 A N 0.245 123.030 122.820 -0.058 0.000 1.877 210 A HA -0.207 4.114 4.320 0.002 0.000 0.216 210 A C 1.779 179.298 177.584 -0.109 0.000 1.186 210 A CA 1.962 53.957 52.037 -0.070 0.000 0.620 210 A CB -0.655 18.309 19.000 -0.060 0.000 0.822 210 A HN 0.449 nan 8.150 nan 0.000 0.443 211 D N 0.057 120.390 120.400 -0.112 0.000 2.123 211 D HA -0.068 4.573 4.640 0.002 0.000 0.196 211 D C 2.219 178.266 176.300 -0.421 0.000 0.992 211 D CA 1.554 55.443 54.000 -0.184 0.000 0.833 211 D CB -0.469 40.285 40.800 -0.078 0.000 0.954 211 D HN 0.432 nan 8.370 nan 0.000 0.455 212 A N 0.941 123.553 122.820 -0.346 0.000 1.902 212 A HA -0.046 4.275 4.320 0.002 0.000 0.217 212 A C 2.306 179.562 177.584 -0.545 0.000 1.181 212 A CA 2.262 53.943 52.037 -0.593 0.000 0.623 212 A CB -0.698 18.379 19.000 0.128 0.000 0.818 212 A HN 0.243 nan 8.150 nan 0.000 0.443 213 A N -0.262 122.381 122.820 -0.295 0.000 1.873 213 A HA -0.119 4.202 4.320 0.002 0.000 0.215 213 A C 1.948 179.374 177.584 -0.262 0.000 1.186 213 A CA 2.066 53.968 52.037 -0.224 0.000 0.616 213 A CB -0.556 18.419 19.000 -0.041 0.000 0.823 213 A HN 0.525 nan 8.150 nan 0.000 0.442 214 E N 0.602 120.662 120.200 -0.232 0.000 2.130 214 E HA -0.150 4.201 4.350 0.002 0.000 0.196 214 E C 1.710 178.140 176.600 -0.284 0.000 0.998 214 E CA 1.691 57.965 56.400 -0.210 0.000 0.806 214 E CB -0.444 29.154 29.700 -0.170 0.000 0.738 214 E HN 0.492 nan 8.360 nan 0.000 0.459 215 A N -0.891 121.639 122.820 -0.482 0.000 2.206 215 A HA 0.331 4.652 4.320 0.002 0.000 0.211 215 A C 1.795 179.156 177.584 -0.372 0.000 1.158 215 A CA 0.990 52.724 52.037 -0.505 0.000 0.761 215 A CB -0.608 17.765 19.000 -1.045 0.000 0.801 215 A HN 0.582 nan 8.150 nan 0.000 0.473 216 G N -0.756 107.718 108.800 -0.544 0.000 2.141 216 G HA2 -0.216 3.745 3.960 0.002 0.000 0.242 216 G HA3 -0.216 3.745 3.960 0.002 0.000 0.242 216 G C -0.069 173.930 174.900 -1.503 0.000 0.982 216 G CA 0.289 44.947 45.100 -0.737 0.000 0.662 216 G HN 0.499 nan 8.290 nan 0.000 0.527 217 D N 0.287 119.943 120.400 -1.239 0.000 2.518 217 D HA 0.334 4.975 4.640 0.002 0.000 0.230 217 D C 1.468 177.437 176.300 -0.552 0.000 1.138 217 D CA -0.594 52.841 54.000 -0.942 0.000 0.964 217 D CB -0.082 40.612 40.800 -0.176 0.000 1.011 217 D HN 0.422 nan 8.370 nan 0.000 0.517 218 H N 0.975 119.885 119.070 -0.266 0.000 2.462 218 H HA -0.041 4.516 4.556 0.002 0.000 0.292 218 H C 1.513 176.854 175.328 0.023 0.000 1.049 218 H CA 0.826 56.811 56.048 -0.104 0.000 1.334 218 H CB 0.064 29.757 29.762 -0.116 0.000 1.404 218 H HN 0.315 nan 8.280 nan 0.000 0.544 219 T N 1.250 115.891 114.554 0.145 0.000 2.674 219 T HA -0.172 4.179 4.350 0.002 0.000 0.265 219 T C 1.848 176.761 174.700 0.355 0.000 1.039 219 T CA 1.322 63.572 62.100 0.250 0.000 1.150 219 T CB -0.544 68.462 68.868 0.230 0.000 0.864 219 T HN 0.251 nan 8.240 nan 0.000 0.427 220 F N 1.606 121.691 119.950 0.224 0.000 2.259 220 F HA 0.147 4.676 4.527 0.002 0.000 0.298 220 F C 2.390 178.240 175.800 0.083 0.000 1.088 220 F CA 0.714 58.852 58.000 0.230 0.000 1.358 220 F CB -0.354 38.858 39.000 0.353 0.000 1.040 220 F HN 0.129 nan 8.300 nan 0.000 0.505 221 A N -0.601 122.344 122.820 0.207 0.000 1.902 221 A HA -0.161 4.160 4.320 0.002 0.000 0.217 221 A C 2.336 179.910 177.584 -0.016 0.000 1.181 221 A CA 2.044 54.116 52.037 0.059 0.000 0.623 221 A CB -1.160 17.867 19.000 0.045 0.000 0.818 221 A HN 0.395 nan 8.150 nan 0.000 0.443 222 S N -0.539 115.184 115.700 0.039 0.000 2.383 222 S HA -0.101 4.370 4.470 0.002 0.000 0.227 222 S C 1.854 176.421 174.600 -0.056 0.000 1.026 222 S CA 1.252 59.467 58.200 0.024 0.000 0.981 222 S CB -0.444 62.813 63.200 0.094 0.000 0.818 222 S HN 0.542 nan 8.310 nan 0.000 0.472 223 L N 2.293 123.438 121.223 -0.130 0.000 1.970 223 L HA -0.087 4.254 4.340 0.002 0.000 0.212 223 L C 1.920 178.564 176.870 -0.378 0.000 1.071 223 L CA 1.830 56.433 54.840 -0.395 0.000 0.751 223 L CB -0.719 40.964 42.059 -0.627 0.000 0.889 223 L HN 0.167 nan 8.230 nan 0.000 0.432 224 I N -0.115 120.158 120.570 -0.495 0.000 2.179 224 I HA -0.255 3.916 4.170 0.002 0.000 0.242 224 I C 2.825 178.831 176.117 -0.185 0.000 1.088 224 I CA 1.797 62.818 61.300 -0.466 0.000 1.357 224 I CB -1.725 35.861 38.000 -0.690 0.000 1.051 224 I HN 0.601 nan 8.210 nan 0.000 0.409 225 S N -0.090 115.525 115.700 -0.141 0.000 2.382 225 S HA -0.196 4.275 4.470 0.002 0.000 0.228 225 S C 2.319 176.896 174.600 -0.038 0.000 1.027 225 S CA 1.981 60.146 58.200 -0.058 0.000 0.991 225 S CB -0.401 62.771 63.200 -0.047 0.000 0.823 225 S HN 0.415 nan 8.310 nan 0.000 0.469 226 S N 0.467 116.133 115.700 -0.056 0.000 2.368 226 S HA -0.018 4.453 4.470 0.002 0.000 0.224 226 S C 1.758 176.353 174.600 -0.009 0.000 1.029 226 S CA 1.199 59.382 58.200 -0.027 0.000 0.988 226 S CB -0.525 62.660 63.200 -0.025 0.000 0.838 226 S HN 0.499 nan 8.310 nan 0.000 0.462 227 I N 2.131 122.669 120.570 -0.053 0.000 2.315 227 I HA -0.071 4.100 4.170 0.002 0.000 0.248 227 I C 2.600 178.698 176.117 -0.032 0.000 1.117 227 I CA 1.109 62.327 61.300 -0.137 0.000 1.404 227 I CB -1.433 36.448 38.000 -0.199 0.000 1.071 227 I HN 0.412 nan 8.210 nan 0.000 0.419 228 Q N 0.737 120.577 119.800 0.067 0.000 2.124 228 Q HA -0.202 4.139 4.340 0.002 0.000 0.202 228 Q C 2.099 178.102 176.000 0.006 0.000 0.977 228 Q CA 2.351 58.194 55.803 0.067 0.000 0.850 228 Q CB -0.191 28.619 28.738 0.119 0.000 0.901 228 Q HN 0.650 nan 8.270 nan 0.000 0.429 229 T N -1.866 112.692 114.554 0.006 0.000 3.051 229 T HA -0.090 4.261 4.350 0.002 0.000 0.269 229 T C 0.968 175.668 174.700 -0.001 0.000 1.127 229 T CA 1.209 63.298 62.100 -0.018 0.000 1.107 229 T CB -0.056 68.798 68.868 -0.024 0.000 0.898 229 T HN 0.135 nan 8.240 nan 0.000 0.517 230 D N 0.813 121.259 120.400 0.077 0.000 2.305 230 D HA 0.068 4.709 4.640 0.002 0.000 0.206 230 D C 2.022 178.363 176.300 0.069 0.000 0.974 230 D CA 0.490 54.582 54.000 0.153 0.000 0.871 230 D CB -0.130 40.908 40.800 0.396 0.000 0.947 230 D HN 0.440 nan 8.370 nan 0.000 0.516 231 E N 1.103 121.285 120.200 -0.031 0.000 2.038 231 E HA -0.171 4.180 4.350 0.002 0.000 0.195 231 E C 2.024 178.393 176.600 -0.385 0.000 1.000 231 E CA 1.822 58.065 56.400 -0.263 0.000 0.803 231 E CB -0.144 29.449 29.700 -0.179 0.000 0.750 231 E HN 0.170 nan 8.360 nan 0.000 0.448 232 S N 0.048 115.634 115.700 -0.191 0.000 2.399 232 S HA -0.226 4.245 4.470 0.002 0.000 0.231 232 S C 2.083 176.679 174.600 -0.007 0.000 1.022 232 S CA 1.159 59.293 58.200 -0.110 0.000 0.983 232 S CB -0.414 62.686 63.200 -0.166 0.000 0.803 232 S HN 0.306 nan 8.310 nan 0.000 0.480 233 R N 1.718 122.205 120.500 -0.022 0.000 2.139 233 R HA -0.202 4.139 4.340 0.002 0.000 0.243 233 R C 2.468 178.900 176.300 0.220 0.000 1.145 233 R CA 2.110 58.287 56.100 0.128 0.000 0.976 233 R CB -0.413 29.974 30.300 0.144 0.000 0.866 233 R HN 0.920 nan 8.270 nan 0.000 0.449 234 H N -3.426 115.764 119.070 0.201 0.000 2.855 234 H HA 0.316 4.873 4.556 0.002 0.000 0.259 234 H C 1.519 176.971 175.328 0.208 0.000 0.972 234 H CA 0.385 56.557 56.048 0.207 0.000 1.213 234 H CB 0.055 29.925 29.762 0.181 0.000 1.451 234 H HN 0.240 nan 8.280 nan 0.000 0.484 235 A N 2.246 125.049 122.820 -0.028 0.000 2.067 235 A HA -0.181 4.141 4.320 0.002 0.000 0.219 235 A C 2.431 180.131 177.584 0.192 0.000 1.158 235 A CA 1.158 53.255 52.037 0.101 0.000 0.661 235 A CB -0.533 18.454 19.000 -0.021 0.000 0.801 235 A HN 0.679 nan 8.150 nan 0.000 0.452 236 Q N -0.364 119.559 119.800 0.206 0.000 2.439 236 Q HA -0.212 4.129 4.340 0.002 0.000 0.211 236 Q C 1.529 177.653 176.000 0.206 0.000 0.978 236 Q CA 1.559 57.484 55.803 0.204 0.000 0.897 236 Q CB -0.465 28.390 28.738 0.195 0.000 0.956 236 Q HN 0.760 nan 8.270 nan 0.000 0.483 237 Q N 0.380 120.346 119.800 0.276 0.000 2.297 237 Q HA -0.036 4.305 4.340 0.002 0.000 0.204 237 Q C 2.009 178.210 176.000 0.335 0.000 0.962 237 Q CA 1.058 57.068 55.803 0.345 0.000 0.879 237 Q CB 0.033 28.980 28.738 0.349 0.000 0.947 237 Q HN 0.646 nan 8.270 nan 0.000 0.462 238 G N 0.092 109.078 108.800 0.310 0.000 2.494 238 G HA2 -0.080 3.881 3.960 0.002 0.000 0.216 238 G HA3 -0.080 3.881 3.960 0.002 0.000 0.216 238 G C 1.272 176.254 174.900 0.137 0.000 1.140 238 G CA 0.503 45.770 45.100 0.279 0.000 0.801 238 G HN 0.428 nan 8.290 nan 0.000 0.536 239 G N 1.932 110.829 108.800 0.163 0.000 2.514 239 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 239 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 239 G C 0.076 174.929 174.900 -0.078 0.000 1.198 239 G CA 1.315 46.433 45.100 0.030 0.000 0.780 239 G HN 0.376 nan 8.290 nan 0.000 0.565 240 P HA -0.078 nan 4.420 nan 0.000 0.216 240 P C 2.270 179.540 177.300 -0.051 0.000 1.150 240 P CA 1.777 64.687 63.100 -0.318 0.000 0.843 240 P CB -0.090 31.007 31.700 -1.006 0.000 0.787 241 S N -0.928 114.892 115.700 0.200 0.000 2.356 241 S HA -0.098 4.373 4.470 0.002 0.000 0.223 241 S C 1.831 176.539 174.600 0.181 0.000 1.032 241 S CA 1.045 59.489 58.200 0.405 0.000 1.005 241 S CB -1.096 62.342 63.200 0.396 0.000 0.867 241 S HN 0.107 nan 8.310 nan 0.000 0.449 242 L N 1.120 122.355 121.223 0.021 0.000 2.046 242 L HA -0.137 4.204 4.340 0.002 0.000 0.208 242 L C 2.515 179.332 176.870 -0.088 0.000 1.077 242 L CA 1.244 56.034 54.840 -0.084 0.000 0.747 242 L CB -0.385 41.510 42.059 -0.274 0.000 0.896 242 L HN 0.247 nan 8.230 nan 0.000 0.432 243 K N 0.149 120.493 120.400 -0.094 0.000 2.063 243 K HA -0.184 4.137 4.320 0.002 0.000 0.208 243 K C 2.044 178.572 176.600 -0.120 0.000 1.048 243 K CA 1.483 57.708 56.287 -0.103 0.000 0.928 243 K CB -0.195 32.240 32.500 -0.108 0.000 0.713 243 K HN 0.260 nan 8.250 nan 0.000 0.442 244 I N 1.033 121.522 120.570 -0.135 0.000 2.315 244 I HA -0.279 3.892 4.170 0.002 0.000 0.248 244 I C 2.119 178.059 176.117 -0.294 0.000 1.117 244 I CA 1.021 62.154 61.300 -0.278 0.000 1.404 244 I CB -0.172 37.538 38.000 -0.483 0.000 1.071 244 I HN 0.132 nan 8.210 nan 0.000 0.419 245 L N -0.226 120.893 121.223 -0.173 0.000 2.027 245 L HA -0.182 4.159 4.340 0.002 0.000 0.206 245 L C 2.620 179.433 176.870 -0.094 0.000 1.074 245 L CA 1.029 55.807 54.840 -0.104 0.000 0.745 245 L CB -0.666 41.397 42.059 0.006 0.000 0.898 245 L HN 0.072 nan 8.230 nan 0.000 0.433 246 V N -0.091 119.771 119.914 -0.086 0.000 2.287 246 V HA -0.261 3.860 4.120 0.002 0.000 0.248 246 V C 2.397 178.440 176.094 -0.085 0.000 1.053 246 V CA 1.778 64.032 62.300 -0.076 0.000 1.027 246 V CB -0.555 31.223 31.823 -0.074 0.000 0.646 246 V HN 0.476 nan 8.190 nan 0.000 0.447 247 E N 0.209 120.345 120.200 -0.107 0.000 2.338 247 E HA -0.086 4.265 4.350 0.002 0.000 0.197 247 E C 0.692 177.222 176.600 -0.116 0.000 1.007 247 E CA 0.561 56.897 56.400 -0.107 0.000 0.849 247 E CB -0.089 29.538 29.700 -0.121 0.000 0.774 247 E HN 0.699 nan 8.360 nan 0.000 0.506 248 N N -0.694 117.924 118.700 -0.137 0.000 2.867 248 N HA 0.260 5.001 4.740 0.002 0.000 0.326 248 N C 0.686 176.142 175.510 -0.090 0.000 1.355 248 N CA -0.089 52.880 53.050 -0.135 0.000 0.830 248 N CB 0.416 38.779 38.487 -0.206 0.000 1.152 248 N HN -0.022 nan 8.380 nan 0.000 0.569 249 G N -0.371 108.385 108.800 -0.073 0.000 3.591 249 G HA2 0.094 4.055 3.960 0.002 0.000 0.282 249 G HA3 0.094 4.055 3.960 0.002 0.000 0.282 249 G C -0.067 174.814 174.900 -0.032 0.000 1.238 249 G CA 0.002 45.074 45.100 -0.046 0.000 0.993 249 G HN 0.171 nan 8.290 nan 0.000 0.542 250 K N 0.479 120.858 120.400 -0.034 0.000 2.792 250 K HA 0.166 4.487 4.320 0.002 0.000 0.207 250 K C 1.193 177.789 176.600 -0.007 0.000 1.103 250 K CA -0.408 55.872 56.287 -0.011 0.000 1.048 250 K CB 0.917 33.419 32.500 0.003 0.000 0.777 250 K HN 0.338 nan 8.250 nan 0.000 0.468 251 K N 1.334 121.725 120.400 -0.016 0.000 2.097 251 K HA -0.159 4.162 4.320 0.002 0.000 0.206 251 K C 0.703 177.307 176.600 0.008 0.000 1.049 251 K CA 1.780 58.059 56.287 -0.014 0.000 0.933 251 K CB 0.289 32.776 32.500 -0.023 0.000 0.717 251 K HN -0.011 nan 8.250 nan 0.000 0.442 252 D N 0.803 121.213 120.400 0.017 0.000 2.117 252 D HA -0.134 4.507 4.640 0.002 0.000 0.198 252 D C 1.790 178.125 176.300 0.059 0.000 0.982 252 D CA 1.153 55.177 54.000 0.040 0.000 0.828 252 D CB -0.134 40.688 40.800 0.037 0.000 0.967 252 D HN 0.283 nan 8.370 nan 0.000 0.464 253 E N 1.072 121.299 120.200 0.045 0.000 2.051 253 E HA -0.097 4.254 4.350 0.002 0.000 0.192 253 E C 2.071 178.709 176.600 0.063 0.000 0.991 253 E CA 1.284 57.715 56.400 0.052 0.000 0.799 253 E CB -0.437 29.289 29.700 0.043 0.000 0.748 253 E HN 0.243 nan 8.360 nan 0.000 0.449 254 A N 0.610 123.459 122.820 0.048 0.000 1.877 254 A HA -0.286 4.035 4.320 0.002 0.000 0.216 254 A C 2.226 179.843 177.584 0.055 0.000 1.186 254 A CA 1.903 53.964 52.037 0.040 0.000 0.620 254 A CB -0.669 18.332 19.000 0.001 0.000 0.822 254 A HN 0.220 nan 8.150 nan 0.000 0.443 255 Q N -0.265 119.569 119.800 0.058 0.000 2.061 255 Q HA -0.263 4.078 4.340 0.002 0.000 0.204 255 Q C 2.201 178.302 176.000 0.168 0.000 0.984 255 Q CA 2.505 58.358 55.803 0.084 0.000 0.846 255 Q CB -0.416 28.363 28.738 0.070 0.000 0.902 255 Q HN 0.771 nan 8.270 nan 0.000 0.421 256 Q N -0.902 119.011 119.800 0.190 0.000 2.084 256 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 256 Q C 2.016 178.160 176.000 0.240 0.000 0.978 256 Q CA 1.761 57.728 55.803 0.274 0.000 0.844 256 Q CB -0.100 28.754 28.738 0.193 0.000 0.898 256 Q HN 0.494 nan 8.270 nan 0.000 0.426 257 M N -0.682 119.016 119.600 0.164 0.000 2.086 257 M HA -0.180 4.301 4.480 0.002 0.000 0.261 257 M C 2.150 178.584 176.300 0.222 0.000 1.067 257 M CA 1.204 56.600 55.300 0.161 0.000 1.116 257 M CB -0.088 32.585 32.600 0.123 0.000 1.348 257 M HN 0.130 nan 8.290 nan 0.000 0.407 258 V N 0.521 120.567 119.914 0.220 0.000 2.343 258 V HA -0.288 3.833 4.120 0.002 0.000 0.247 258 V C 1.754 178.027 176.094 0.298 0.000 1.051 258 V CA 1.906 64.371 62.300 0.275 0.000 1.036 258 V CB -0.769 31.191 31.823 0.227 0.000 0.654 258 V HN 0.407 nan 8.190 nan 0.000 0.451 259 D N 0.048 120.638 120.400 0.317 0.000 2.092 259 D HA -0.142 4.499 4.640 0.002 0.000 0.193 259 D C 2.192 178.856 176.300 0.607 0.000 0.994 259 D CA 1.470 55.739 54.000 0.448 0.000 0.828 259 D CB -0.517 40.618 40.800 0.558 0.000 0.963 259 D HN 0.302 nan 8.370 nan 0.000 0.450 260 V N 1.446 121.673 119.914 0.522 0.000 2.255 260 V HA -0.262 3.859 4.120 0.002 0.000 0.247 260 V C 2.536 178.851 176.094 0.367 0.000 1.051 260 V CA 2.017 64.564 62.300 0.411 0.000 1.018 260 V CB -0.934 31.022 31.823 0.221 0.000 0.641 260 V HN 0.208 nan 8.190 nan 0.000 0.445 261 A N -0.262 122.752 122.820 0.324 0.000 1.908 261 A HA -0.180 4.141 4.320 0.002 0.000 0.218 261 A C 2.177 179.984 177.584 0.371 0.000 1.181 261 A CA 2.024 54.254 52.037 0.322 0.000 0.627 261 A CB -0.575 18.619 19.000 0.323 0.000 0.818 261 A HN 0.534 nan 8.150 nan 0.000 0.445 262 I N -2.012 118.780 120.570 0.370 0.000 2.315 262 I HA -0.239 3.932 4.170 0.002 0.000 0.248 262 I C 2.523 178.778 176.117 0.229 0.000 1.117 262 I CA 1.059 62.559 61.300 0.333 0.000 1.404 262 I CB -0.343 37.740 38.000 0.139 0.000 1.071 262 I HN 0.694 nan 8.210 nan 0.000 0.419 263 W N 2.660 123.991 121.300 0.052 0.000 2.355 263 W HA -0.181 4.480 4.660 0.002 0.000 0.309 263 W C 2.596 179.111 176.519 -0.007 0.000 1.206 263 W CA 1.408 58.649 57.345 -0.175 0.000 1.284 263 W CB -0.172 29.044 29.460 -0.407 0.000 1.145 263 W HN 0.076 nan 8.180 nan 0.000 0.502 264 R N 0.202 120.801 120.500 0.165 0.000 2.081 264 R HA -0.122 4.219 4.340 0.002 0.000 0.235 264 R C 2.347 178.547 176.300 -0.166 0.000 1.131 264 R CA 1.819 57.982 56.100 0.106 0.000 0.960 264 R CB -0.924 29.592 30.300 0.359 0.000 0.856 264 R HN 0.075 nan 8.270 nan 0.000 0.436 265 S N 0.885 116.527 115.700 -0.096 0.000 2.365 265 S HA -0.205 4.266 4.470 0.002 0.000 0.225 265 S C 1.427 175.583 174.600 -0.739 0.000 1.039 265 S CA 1.356 59.233 58.200 -0.538 0.000 1.033 265 S CB -0.496 62.490 63.200 -0.356 0.000 0.887 265 S HN 0.579 nan 8.310 nan 0.000 0.447 266 W N 2.595 123.454 121.300 -0.734 0.000 2.335 266 W HA -0.204 4.457 4.660 0.002 0.000 0.311 266 W C 1.468 177.759 176.519 -0.380 0.000 1.213 266 W CA 1.262 58.300 57.345 -0.513 0.000 1.274 266 W CB -0.163 28.840 29.460 -0.762 0.000 1.148 266 W HN 0.167 nan 8.180 nan 0.000 0.498 267 K N 0.854 120.702 120.400 -0.921 0.000 2.057 267 K HA -0.192 4.129 4.320 0.002 0.000 0.207 267 K C 2.039 178.295 176.600 -0.574 0.000 1.049 267 K CA 1.339 57.111 56.287 -0.859 0.000 0.931 267 K CB -1.304 30.887 32.500 -0.516 0.000 0.714 267 K HN 0.299 nan 8.250 nan 0.000 0.440 268 L N 0.045 120.947 121.223 -0.535 0.000 2.046 268 L HA -0.106 4.236 4.340 0.002 0.000 0.208 268 L C 2.194 178.916 176.870 -0.247 0.000 1.077 268 L CA 1.386 55.966 54.840 -0.432 0.000 0.747 268 L CB -0.465 41.139 42.059 -0.758 0.000 0.896 268 L HN -0.011 nan 8.230 nan 0.000 0.432 269 F N -0.090 119.613 119.950 -0.411 0.000 2.171 269 F HA -0.226 4.302 4.527 0.002 0.000 0.300 269 F C 2.873 178.518 175.800 -0.258 0.000 1.090 269 F CA 1.457 59.356 58.000 -0.168 0.000 1.293 269 F CB -0.670 38.384 39.000 0.089 0.000 1.013 269 F HN 0.344 nan 8.300 nan 0.000 0.486 270 S N -1.455 114.003 115.700 -0.404 0.000 2.469 270 S HA -0.115 4.356 4.470 0.002 0.000 0.238 270 S C 1.865 176.254 174.600 -0.351 0.000 0.998 270 S CA 1.240 59.112 58.200 -0.546 0.000 0.957 270 S CB -0.565 62.071 63.200 -0.940 0.000 0.764 270 S HN 0.244 nan 8.310 nan 0.000 0.514 271 V N -0.012 119.734 119.914 -0.279 0.000 3.307 271 V HA 0.387 4.509 4.120 0.002 0.000 0.244 271 V C 1.722 177.702 176.094 -0.191 0.000 1.196 271 V CA 0.330 62.545 62.300 -0.141 0.000 1.132 271 V CB 0.006 31.827 31.823 -0.004 0.000 0.875 271 V HN 0.542 nan 8.190 nan 0.000 0.468 272 L N -0.281 120.783 121.223 -0.264 0.000 2.307 272 L HA 0.079 4.420 4.340 0.002 0.000 0.211 272 L C 2.170 178.768 176.870 -0.454 0.000 1.099 272 L CA 1.530 56.176 54.840 -0.324 0.000 0.816 272 L CB -0.361 41.563 42.059 -0.225 0.000 0.952 272 L HN 0.312 nan 8.230 nan 0.000 0.455 273 T N -1.123 113.085 114.554 -0.576 0.000 3.085 273 T HA 0.107 4.459 4.350 0.002 0.000 0.241 273 T C 1.821 176.043 174.700 -0.796 0.000 0.988 273 T CA 0.585 62.269 62.100 -0.693 0.000 1.117 273 T CB 0.017 68.283 68.868 -1.003 0.000 0.978 273 T HN 0.340 nan 8.240 nan 0.000 0.454 274 G N 3.066 111.101 108.800 -1.276 0.000 2.553 274 G HA2 -0.206 3.755 3.960 0.002 0.000 0.218 274 G HA3 -0.206 3.755 3.960 0.002 0.000 0.218 274 G C -0.817 173.773 174.900 -0.517 0.000 1.195 274 G CA 1.075 45.133 45.100 -1.737 0.000 0.779 274 G HN 0.390 nan 8.290 nan 0.000 0.577 275 P HA 0.004 nan 4.420 nan 0.000 0.220 275 P C 1.838 179.081 177.300 -0.094 0.000 1.148 275 P CA 0.654 63.772 63.100 0.029 0.000 0.803 275 P CB -0.026 31.723 31.700 0.082 0.000 0.782 276 I N -1.957 118.369 120.570 -0.407 0.000 2.286 276 I HA -0.200 3.971 4.170 0.002 0.000 0.245 276 I C 2.334 178.349 176.117 -0.170 0.000 1.104 276 I CA 1.492 62.513 61.300 -0.464 0.000 1.397 276 I CB -0.401 37.273 38.000 -0.542 0.000 1.072 276 I HN -0.073 nan 8.210 nan 0.000 0.417 277 M N -0.111 119.387 119.600 -0.170 0.000 2.156 277 M HA -0.168 4.313 4.480 0.002 0.000 0.264 277 M C 1.244 177.508 176.300 -0.059 0.000 1.067 277 M CA 1.609 56.861 55.300 -0.079 0.000 1.131 277 M CB -0.318 32.281 32.600 -0.002 0.000 1.368 277 M HN 0.111 nan 8.290 nan 0.000 0.416 278 D N -1.521 118.870 120.400 -0.014 0.000 2.348 278 D HA 0.002 4.643 4.640 0.002 0.000 0.211 278 D C 0.728 176.669 176.300 -0.598 0.000 0.998 278 D CA 1.018 54.925 54.000 -0.154 0.000 0.873 278 D CB 0.311 41.157 40.800 0.078 0.000 0.925 278 D HN 0.382 nan 8.370 nan 0.000 0.524 279 Y N -2.615 117.588 120.300 -0.161 0.000 2.498 279 Y HA 0.176 4.727 4.550 0.002 0.000 0.278 279 Y C 1.277 177.135 175.900 -0.070 0.000 1.148 279 Y CA -0.286 57.666 58.100 -0.247 0.000 1.126 279 Y CB 0.267 38.356 38.460 -0.619 0.000 1.320 279 Y HN -0.073 nan 8.280 nan 0.000 0.538 280 Y N 0.937 121.212 120.300 -0.041 0.000 2.347 280 Y HA 0.013 4.564 4.550 0.002 0.000 0.294 280 Y C 1.246 177.137 175.900 -0.014 0.000 1.117 280 Y CA 0.528 58.629 58.100 0.001 0.000 1.184 280 Y CB 0.148 38.605 38.460 -0.005 0.000 1.047 280 Y HN -0.143 nan 8.280 nan 0.000 0.546 281 T N 0.670 115.280 114.554 0.094 0.000 2.834 281 T HA 0.172 4.523 4.350 0.002 0.000 0.298 281 T C -2.653 171.981 174.700 -0.109 0.000 0.966 281 T CA -1.966 60.134 62.100 0.001 0.000 1.141 281 T CB 0.902 69.727 68.868 -0.071 0.000 0.905 281 T HN -0.141 nan 8.240 nan 0.000 0.535 282 P HA 0.047 nan 4.420 nan 0.000 0.266 282 P C 1.309 178.465 177.300 -0.241 0.000 1.195 282 P CA -0.468 62.551 63.100 -0.135 0.000 0.768 282 P CB 0.497 32.151 31.700 -0.077 0.000 0.838 283 L N 2.864 123.908 121.223 -0.299 0.000 2.013 283 L HA -0.216 4.125 4.340 0.002 0.000 0.212 283 L C 2.053 178.739 176.870 -0.307 0.000 1.073 283 L CA 1.900 56.487 54.840 -0.421 0.000 0.753 283 L CB -0.400 41.464 42.059 -0.324 0.000 0.890 283 L HN 0.523 nan 8.230 nan 0.000 0.432 284 E N -1.420 118.670 120.200 -0.183 0.000 2.478 284 E HA -0.119 4.232 4.350 0.002 0.000 0.198 284 E C 1.362 177.901 176.600 -0.103 0.000 1.046 284 E CA 0.880 57.212 56.400 -0.114 0.000 0.870 284 E CB -0.022 29.631 29.700 -0.078 0.000 0.818 284 E HN 0.360 nan 8.360 nan 0.000 0.527 285 S N 0.363 115.981 115.700 -0.136 0.000 2.554 285 S HA 0.189 4.660 4.470 0.002 0.000 0.226 285 S C 0.267 174.795 174.600 -0.120 0.000 0.980 285 S CA -0.489 57.642 58.200 -0.115 0.000 0.939 285 S CB 0.252 63.380 63.200 -0.120 0.000 0.832 285 S HN 0.161 nan 8.310 nan 0.000 0.486 286 R N 2.051 122.451 120.500 -0.167 0.000 2.220 286 R HA 0.300 4.641 4.340 0.002 0.000 0.340 286 R C 0.293 176.617 176.300 0.040 0.000 1.076 286 R CA -0.099 55.917 56.100 -0.140 0.000 0.920 286 R CB 0.092 30.128 30.300 -0.441 0.000 1.062 286 R HN 0.341 nan 8.270 nan 0.000 0.469 287 N N 1.907 120.647 118.700 0.068 0.000 2.171 287 N HA -0.173 4.568 4.740 0.002 0.000 0.184 287 N C 0.302 175.924 175.510 0.187 0.000 1.021 287 N CA 1.005 54.124 53.050 0.114 0.000 0.854 287 N CB 0.261 38.807 38.487 0.098 0.000 0.994 287 N HN 0.608 nan 8.380 nan 0.000 0.426 288 Q N -0.362 119.582 119.800 0.240 0.000 2.648 288 Q HA 0.381 4.722 4.340 0.002 0.000 0.300 288 Q C -1.296 174.932 176.000 0.380 0.000 0.954 288 Q CA -1.057 54.913 55.803 0.278 0.000 0.757 288 Q CB 1.327 30.211 28.738 0.242 0.000 1.482 288 Q HN 0.032 nan 8.270 nan 0.000 0.437 289 S N -0.199 115.688 115.700 0.312 0.000 2.632 289 S HA 0.223 4.694 4.470 0.002 0.000 0.267 289 S C 0.530 175.373 174.600 0.405 0.000 1.276 289 S CA -0.557 57.881 58.200 0.397 0.000 0.998 289 S CB 0.393 63.591 63.200 -0.004 0.000 0.953 289 S HN 0.636 nan 8.310 nan 0.000 0.547 290 F N 1.822 121.949 119.950 0.294 0.000 2.120 290 F HA -0.100 4.428 4.527 0.002 0.000 0.300 290 F C 2.404 178.365 175.800 0.269 0.000 1.095 290 F CA 2.221 60.334 58.000 0.189 0.000 1.249 290 F CB -0.384 38.527 39.000 -0.149 0.000 0.995 290 F HN 0.823 nan 8.300 nan 0.000 0.480 291 K N 0.285 120.813 120.400 0.213 0.000 2.057 291 K HA -0.216 4.106 4.320 0.002 0.000 0.207 291 K C 2.015 178.588 176.600 -0.044 0.000 1.049 291 K CA 1.941 58.257 56.287 0.048 0.000 0.931 291 K CB -0.268 32.344 32.500 0.187 0.000 0.714 291 K HN 0.412 nan 8.250 nan 0.000 0.440 292 E N -0.237 119.971 120.200 0.013 0.000 2.047 292 E HA -0.193 4.159 4.350 0.002 0.000 0.191 292 E C 1.842 178.468 176.600 0.044 0.000 0.987 292 E CA 1.286 57.681 56.400 -0.008 0.000 0.799 292 E CB -0.240 29.470 29.700 0.017 0.000 0.752 292 E HN 0.320 nan 8.360 nan 0.000 0.449 293 F N 1.476 121.457 119.950 0.052 0.000 2.091 293 F HA -0.293 4.235 4.527 0.002 0.000 0.299 293 F C 2.195 178.044 175.800 0.082 0.000 1.103 293 F CA 1.475 59.588 58.000 0.188 0.000 1.228 293 F CB -0.062 39.077 39.000 0.232 0.000 0.984 293 F HN -0.042 nan 8.300 nan 0.000 0.477 294 M N 0.142 119.694 119.600 -0.080 0.000 2.108 294 M HA -0.208 4.273 4.480 0.002 0.000 0.261 294 M C 2.342 178.456 176.300 -0.309 0.000 1.066 294 M CA 1.671 56.822 55.300 -0.247 0.000 1.107 294 M CB -1.412 30.994 32.600 -0.323 0.000 1.356 294 M HN 0.308 nan 8.290 nan 0.000 0.406 295 L N -0.926 120.130 121.223 -0.279 0.000 2.109 295 L HA -0.151 4.190 4.340 0.002 0.000 0.207 295 L C 2.470 179.146 176.870 -0.324 0.000 1.086 295 L CA 1.040 55.711 54.840 -0.282 0.000 0.760 295 L CB -0.546 41.372 42.059 -0.236 0.000 0.910 295 L HN 0.361 nan 8.230 nan 0.000 0.437 296 E N -0.553 119.394 120.200 -0.422 0.000 2.076 296 E HA -0.171 4.180 4.350 0.002 0.000 0.190 296 E C 1.697 177.789 176.600 -0.848 0.000 0.979 296 E CA 1.186 57.161 56.400 -0.709 0.000 0.807 296 E CB 0.066 29.188 29.700 -0.963 0.000 0.761 296 E HN 0.500 nan 8.360 nan 0.000 0.454 297 W N -0.841 120.206 121.300 -0.421 0.000 2.975 297 W HA 0.233 4.894 4.660 0.002 0.000 0.316 297 W C 1.442 177.655 176.519 -0.510 0.000 1.131 297 W CA -0.650 56.406 57.345 -0.483 0.000 1.624 297 W CB 0.734 29.776 29.460 -0.697 0.000 1.038 297 W HN 0.051 nan 8.180 nan 0.000 0.571 298 I N -1.439 118.940 120.570 -0.318 0.000 3.570 298 I HA 0.019 4.190 4.170 0.002 0.000 0.270 298 I C 1.850 177.836 176.117 -0.218 0.000 1.162 298 I CA 0.550 61.620 61.300 -0.382 0.000 1.413 298 I CB -1.067 36.688 38.000 -0.407 0.000 1.437 298 I HN -0.274 nan 8.210 nan 0.000 0.457 299 V N 1.765 121.619 119.914 -0.100 0.000 2.407 299 V HA -0.061 4.060 4.120 0.002 0.000 0.245 299 V C 2.824 179.050 176.094 0.219 0.000 1.041 299 V CA 1.706 64.090 62.300 0.140 0.000 1.040 299 V CB -0.850 30.894 31.823 -0.131 0.000 0.671 299 V HN 0.385 nan 8.190 nan 0.000 0.455 300 A N -0.399 122.426 122.820 0.009 0.000 1.902 300 A HA -0.267 4.055 4.320 0.002 0.000 0.217 300 A C 2.129 179.710 177.584 -0.005 0.000 1.181 300 A CA 1.895 53.927 52.037 -0.008 0.000 0.623 300 A CB -0.486 18.445 19.000 -0.115 0.000 0.818 300 A HN 0.536 nan 8.150 nan 0.000 0.443 301 Q N -1.090 118.665 119.800 -0.075 0.000 2.084 301 Q HA -0.102 4.239 4.340 0.002 0.000 0.202 301 Q C 1.704 177.658 176.000 -0.075 0.000 0.978 301 Q CA 1.571 57.303 55.803 -0.118 0.000 0.844 301 Q CB -0.531 28.074 28.738 -0.222 0.000 0.898 301 Q HN 0.652 nan 8.270 nan 0.000 0.426 302 F N 1.144 121.080 119.950 -0.023 0.000 2.095 302 F HA -0.178 4.350 4.527 0.002 0.000 0.298 302 F C 1.991 177.764 175.800 -0.044 0.000 1.104 302 F CA 1.457 59.454 58.000 -0.005 0.000 1.232 302 F CB -0.430 38.674 39.000 0.174 0.000 0.987 302 F HN 0.180 nan 8.300 nan 0.000 0.475 303 E N -0.567 119.734 120.200 0.169 0.000 2.110 303 E HA -0.260 4.091 4.350 0.002 0.000 0.193 303 E C 2.210 178.812 176.600 0.003 0.000 0.988 303 E CA 1.228 57.620 56.400 -0.012 0.000 0.804 303 E CB -0.233 29.471 29.700 0.007 0.000 0.745 303 E HN 0.200 nan 8.360 nan 0.000 0.458 304 R N 1.313 121.829 120.500 0.028 0.000 2.070 304 R HA -0.153 4.189 4.340 0.002 0.000 0.233 304 R C 2.272 178.602 176.300 0.048 0.000 1.137 304 R CA 1.581 57.691 56.100 0.017 0.000 0.945 304 R CB -0.205 30.094 30.300 -0.000 0.000 0.845 304 R HN 0.064 nan 8.270 nan 0.000 0.430 305 Q N 0.289 120.144 119.800 0.092 0.000 2.096 305 Q HA -0.155 4.187 4.340 0.002 0.000 0.204 305 Q C 2.291 178.421 176.000 0.217 0.000 0.982 305 Q CA 1.772 57.687 55.803 0.187 0.000 0.850 305 Q CB -0.208 28.685 28.738 0.258 0.000 0.901 305 Q HN 0.427 nan 8.270 nan 0.000 0.422 306 L N -0.038 121.292 121.223 0.179 0.000 2.072 306 L HA -0.176 4.166 4.340 0.002 0.000 0.205 306 L C 2.406 179.283 176.870 0.013 0.000 1.079 306 L CA 0.350 55.249 54.840 0.098 0.000 0.752 306 L CB -0.453 41.600 42.059 -0.010 0.000 0.906 306 L HN 0.173 nan 8.230 nan 0.000 0.436 307 L N 0.139 121.357 121.223 -0.007 0.000 2.012 307 L HA -0.267 4.074 4.340 0.002 0.000 0.210 307 L C 1.955 178.817 176.870 -0.013 0.000 1.073 307 L CA 1.978 56.803 54.840 -0.025 0.000 0.748 307 L CB -0.632 41.410 42.059 -0.027 0.000 0.891 307 L HN 0.214 nan 8.230 nan 0.000 0.431 308 D N -1.011 119.393 120.400 0.007 0.000 2.264 308 D HA -0.101 4.540 4.640 0.002 0.000 0.208 308 D C 1.928 178.224 176.300 -0.006 0.000 0.966 308 D CA 0.703 54.705 54.000 0.003 0.000 0.864 308 D CB 0.029 40.840 40.800 0.019 0.000 0.933 308 D HN 0.205 nan 8.370 nan 0.000 0.499 309 L N -0.695 120.527 121.223 -0.003 0.000 2.558 309 L HA 0.241 4.582 4.340 0.002 0.000 0.225 309 L C 1.661 178.502 176.870 -0.049 0.000 1.128 309 L CA 0.687 55.505 54.840 -0.036 0.000 0.868 309 L CB -0.596 41.426 42.059 -0.061 0.000 1.006 309 L HN 0.184 nan 8.230 nan 0.000 0.454 310 G N -0.623 108.153 108.800 -0.040 0.000 2.143 310 G HA2 -0.254 3.707 3.960 0.002 0.000 0.249 310 G HA3 -0.254 3.707 3.960 0.002 0.000 0.249 310 G C 0.421 175.291 174.900 -0.048 0.000 0.981 310 G CA 0.427 45.500 45.100 -0.045 0.000 0.665 310 G HN 0.306 nan 8.290 nan 0.000 0.528 311 L N 0.108 121.301 121.223 -0.050 0.000 2.448 311 L HA 0.623 4.964 4.340 0.002 0.000 0.258 311 L C 0.100 176.923 176.870 -0.078 0.000 1.104 311 L CA -1.111 53.696 54.840 -0.056 0.000 0.800 311 L CB 0.562 42.590 42.059 -0.052 0.000 1.241 311 L HN -0.010 nan 8.230 nan 0.000 0.472 312 D N -0.181 120.162 120.400 -0.096 0.000 2.272 312 D HA 0.272 4.913 4.640 0.002 0.000 0.247 312 D C -0.517 175.635 176.300 -0.246 0.000 0.990 312 D CA -0.639 53.276 54.000 -0.142 0.000 0.931 312 D CB 1.188 41.925 40.800 -0.106 0.000 1.195 312 D HN 0.251 nan 8.370 nan 0.000 0.477 313 K N 1.184 121.371 120.400 -0.356 0.000 2.489 313 K HA 0.128 4.449 4.320 0.002 0.000 0.278 313 K C -2.224 174.091 176.600 -0.475 0.000 1.000 313 K CA -0.862 55.045 56.287 -0.634 0.000 1.012 313 K CB -0.104 31.950 32.500 -0.743 0.000 0.903 313 K HN 0.096 nan 8.250 nan 0.000 0.485 314 P HA -0.156 nan 4.420 nan 0.000 0.266 314 P C 0.742 177.683 177.300 -0.599 0.000 1.193 314 P CA -0.048 62.647 63.100 -0.676 0.000 0.770 314 P CB 0.237 31.174 31.700 -1.272 0.000 0.836 315 W N 3.018 124.034 121.300 -0.473 0.000 2.341 315 W HA -0.228 4.434 4.660 0.002 0.000 0.283 315 W C 0.732 177.119 176.519 -0.220 0.000 1.215 315 W CA 1.118 58.268 57.345 -0.325 0.000 1.211 315 W CB -1.703 27.537 29.460 -0.366 0.000 1.131 315 W HN 0.440 nan 8.180 nan 0.000 0.552 316 Y N -3.450 116.411 120.300 -0.731 0.000 2.461 316 Y HA 0.233 4.784 4.550 0.002 0.000 0.277 316 Y C 2.224 178.073 175.900 -0.086 0.000 1.182 316 Y CA -1.633 56.080 58.100 -0.645 0.000 1.276 316 Y CB -1.566 36.001 38.460 -1.488 0.000 1.087 316 Y HN 0.003 nan 8.280 nan 0.000 0.519 317 W N 2.334 123.500 121.300 -0.223 0.000 2.318 317 W HA -0.250 4.411 4.660 0.002 0.000 0.313 317 W C 0.858 177.439 176.519 0.104 0.000 1.221 317 W CA 2.219 59.578 57.345 0.023 0.000 1.266 317 W CB -0.059 29.342 29.460 -0.099 0.000 1.150 317 W HN 0.255 nan 8.180 nan 0.000 0.496 318 D N -0.292 120.221 120.400 0.189 0.000 2.097 318 D HA -0.239 4.402 4.640 0.002 0.000 0.195 318 D C 1.877 178.217 176.300 0.068 0.000 0.989 318 D CA 1.705 55.757 54.000 0.087 0.000 0.827 318 D CB -0.706 40.158 40.800 0.106 0.000 0.966 318 D HN 0.184 nan 8.370 nan 0.000 0.456 319 Q N -0.010 119.870 119.800 0.134 0.000 2.061 319 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 319 Q C 1.954 178.084 176.000 0.217 0.000 0.984 319 Q CA 1.060 56.964 55.803 0.168 0.000 0.846 319 Q CB -0.654 28.179 28.738 0.158 0.000 0.902 319 Q HN 0.257 nan 8.270 nan 0.000 0.421 320 F N 0.275 120.246 119.950 0.035 0.000 2.091 320 F HA -0.236 4.292 4.527 0.002 0.000 0.299 320 F C 1.671 177.260 175.800 -0.352 0.000 1.103 320 F CA 1.684 59.581 58.000 -0.170 0.000 1.228 320 F CB -0.514 38.333 39.000 -0.255 0.000 0.984 320 F HN 0.128 nan 8.300 nan 0.000 0.477 321 M N 0.143 119.439 119.600 -0.507 0.000 2.080 321 M HA -0.246 4.235 4.480 0.002 0.000 0.260 321 M C 2.148 178.315 176.300 -0.222 0.000 1.068 321 M CA 1.687 56.664 55.300 -0.538 0.000 1.109 321 M CB -1.646 30.732 32.600 -0.369 0.000 1.342 321 M HN 0.300 nan 8.290 nan 0.000 0.405 322 Q N 0.539 120.313 119.800 -0.043 0.000 2.077 322 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 322 Q C 1.531 177.649 176.000 0.197 0.000 0.989 322 Q CA 1.595 57.456 55.803 0.097 0.000 0.853 322 Q CB -0.286 28.544 28.738 0.153 0.000 0.907 322 Q HN 0.510 nan 8.270 nan 0.000 0.418 323 D N 0.443 120.988 120.400 0.242 0.000 2.350 323 D HA -0.085 4.556 4.640 0.002 0.000 0.216 323 D C 1.667 178.248 176.300 0.467 0.000 0.968 323 D CA 0.633 54.901 54.000 0.447 0.000 0.894 323 D CB -0.082 41.068 40.800 0.583 0.000 0.909 323 D HN 0.265 nan 8.370 nan 0.000 0.520 324 L N 0.543 121.888 121.223 0.203 0.000 2.265 324 L HA -0.125 4.216 4.340 0.002 0.000 0.215 324 L C 1.492 178.667 176.870 0.510 0.000 1.117 324 L CA 0.883 55.889 54.840 0.277 0.000 0.782 324 L CB -0.182 41.842 42.059 -0.058 0.000 0.914 324 L HN -0.077 nan 8.230 nan 0.000 0.441 325 D N -0.585 120.096 120.400 0.468 0.000 2.355 325 D HA -0.056 4.585 4.640 0.002 0.000 0.218 325 D C 1.655 178.299 176.300 0.573 0.000 1.004 325 D CA 0.684 55.034 54.000 0.584 0.000 0.880 325 D CB 0.544 41.619 40.800 0.458 0.000 0.911 325 D HN 0.419 nan 8.370 nan 0.000 0.528 326 E N -0.625 119.889 120.200 0.524 0.000 3.203 326 E HA 0.044 4.395 4.350 0.002 0.000 0.200 326 E C 1.978 178.783 176.600 0.343 0.000 1.089 326 E CA 0.385 57.088 56.400 0.505 0.000 1.430 326 E CB -0.382 29.566 29.700 0.413 0.000 1.328 326 E HN -0.044 nan 8.360 nan 0.000 0.580 327 T N 2.769 117.627 114.554 0.507 0.000 2.665 327 T HA -0.187 4.164 4.350 0.002 0.000 0.268 327 T C 1.699 176.497 174.700 0.163 0.000 1.035 327 T CA 2.018 64.378 62.100 0.433 0.000 1.151 327 T CB -0.567 68.631 68.868 0.550 0.000 0.862 327 T HN 0.336 nan 8.240 nan 0.000 0.438 328 H N 0.678 119.752 119.070 0.007 0.000 2.491 328 H HA -0.033 4.524 4.556 0.002 0.000 0.290 328 H C 1.901 177.102 175.328 -0.211 0.000 1.050 328 H CA 1.279 57.223 56.048 -0.173 0.000 1.309 328 H CB -0.717 28.862 29.762 -0.304 0.000 1.392 328 H HN 0.471 nan 8.280 nan 0.000 0.554 329 H N 0.974 119.564 119.070 -0.800 0.000 2.353 329 H HA -0.030 4.527 4.556 0.002 0.000 0.300 329 H C 2.579 177.408 175.328 -0.831 0.000 1.090 329 H CA 1.283 56.770 56.048 -0.935 0.000 1.327 329 H CB -0.654 28.038 29.762 -1.783 0.000 1.383 329 H HN 0.580 nan 8.280 nan 0.000 0.508 330 G N 1.074 109.516 108.800 -0.597 0.000 2.421 330 G HA2 -0.210 3.751 3.960 0.002 0.000 0.216 330 G HA3 -0.210 3.751 3.960 0.002 0.000 0.216 330 G C 1.730 176.675 174.900 0.075 0.000 1.171 330 G CA 0.725 45.842 45.100 0.029 0.000 0.775 330 G HN 0.170 nan 8.290 nan 0.000 0.543 331 M N 0.245 119.870 119.600 0.042 0.000 2.159 331 M HA -0.023 4.458 4.480 0.002 0.000 0.263 331 M C 2.162 178.542 176.300 0.133 0.000 1.063 331 M CA 1.333 56.679 55.300 0.077 0.000 1.110 331 M CB -1.245 31.380 32.600 0.042 0.000 1.374 331 M HN 0.451 nan 8.290 nan 0.000 0.411 332 H N 0.746 119.820 119.070 0.006 0.000 2.299 332 H HA -0.116 4.441 4.556 0.002 0.000 0.302 332 H C 1.801 177.236 175.328 0.178 0.000 1.078 332 H CA 1.755 57.825 56.048 0.036 0.000 1.323 332 H CB -0.345 29.236 29.762 -0.302 0.000 1.381 332 H HN 0.176 nan 8.280 nan 0.000 0.498 333 L N 0.471 121.689 121.223 -0.008 0.000 2.083 333 L HA 0.024 4.365 4.340 0.002 0.000 0.209 333 L C 2.475 179.429 176.870 0.141 0.000 1.083 333 L CA 2.100 56.950 54.840 0.016 0.000 0.752 333 L CB -1.335 40.755 42.059 0.052 0.000 0.899 333 L HN 0.473 nan 8.230 nan 0.000 0.433 334 G N -0.987 107.917 108.800 0.174 0.000 2.433 334 G HA2 -0.208 3.753 3.960 0.002 0.000 0.216 334 G HA3 -0.208 3.753 3.960 0.002 0.000 0.216 334 G C 1.558 176.643 174.900 0.309 0.000 1.186 334 G CA 1.151 46.402 45.100 0.252 0.000 0.779 334 G HN 0.327 nan 8.290 nan 0.000 0.543 335 V N -0.557 119.495 119.914 0.230 0.000 2.343 335 V HA -0.157 3.964 4.120 0.002 0.000 0.247 335 V C 2.246 178.449 176.094 0.181 0.000 1.051 335 V CA 1.888 64.350 62.300 0.270 0.000 1.036 335 V CB -0.558 31.492 31.823 0.379 0.000 0.654 335 V HN 0.618 nan 8.190 nan 0.000 0.451 336 W N -0.457 120.836 121.300 -0.012 0.000 2.379 336 W HA -0.224 4.437 4.660 0.002 0.000 0.307 336 W C 2.513 179.021 176.519 -0.019 0.000 1.200 336 W CA 1.732 59.053 57.345 -0.040 0.000 1.297 336 W CB -0.428 29.011 29.460 -0.035 0.000 1.140 336 W HN 0.326 nan 8.180 nan 0.000 0.507 337 Y N -0.942 119.435 120.300 0.130 0.000 2.181 337 Y HA -0.216 4.335 4.550 0.002 0.000 0.288 337 Y C 1.719 177.373 175.900 -0.411 0.000 1.146 337 Y CA 2.034 60.042 58.100 -0.153 0.000 1.164 337 Y CB -0.581 37.769 38.460 -0.183 0.000 0.982 337 Y HN -0.097 nan 8.280 nan 0.000 0.515 338 W N 2.993 124.253 121.300 -0.067 0.000 3.314 338 W HA 0.100 4.761 4.660 0.002 0.000 0.419 338 W C 1.487 177.877 176.519 -0.215 0.000 1.021 338 W CA 0.115 57.374 57.345 -0.143 0.000 1.935 338 W CB -0.209 29.170 29.460 -0.135 0.000 1.008 338 W HN 0.344 nan 8.180 nan 0.000 0.803 339 R N 0.359 120.709 120.500 -0.251 0.000 2.139 339 R HA -0.169 4.172 4.340 0.002 0.000 0.243 339 R C -1.016 175.091 176.300 -0.321 0.000 1.145 339 R CA 1.035 56.916 56.100 -0.366 0.000 0.976 339 R CB -1.994 27.952 30.300 -0.590 0.000 0.866 339 R HN 0.030 nan 8.270 nan 0.000 0.449 340 P HA -0.040 nan 4.420 nan 0.000 0.234 340 P C 0.682 177.921 177.300 -0.102 0.000 1.167 340 P CA 1.484 64.474 63.100 -0.183 0.000 0.763 340 P CB 0.018 31.631 31.700 -0.145 0.000 0.835 341 T N -3.773 110.773 114.554 -0.013 0.000 3.144 341 T HA 0.233 4.584 4.350 0.002 0.000 0.249 341 T C 0.534 175.258 174.700 0.039 0.000 1.089 341 T CA -0.232 61.952 62.100 0.141 0.000 0.989 341 T CB -1.003 68.092 68.868 0.379 0.000 0.992 341 T HN -0.052 nan 8.240 nan 0.000 0.540 342 V N -2.118 117.602 119.914 -0.325 0.000 3.113 342 V HA 0.788 4.909 4.120 0.002 0.000 0.316 342 V C 0.420 176.078 176.094 -0.727 0.000 1.125 342 V CA -1.630 60.199 62.300 -0.786 0.000 1.026 342 V CB 1.360 32.111 31.823 -1.786 0.000 1.080 342 V HN 0.523 nan 8.190 nan 0.000 0.444 343 W N 0.318 121.214 121.300 -0.674 0.000 3.239 343 W HA 0.610 5.271 4.660 0.002 0.000 0.348 343 W C -0.028 176.336 176.519 -0.259 0.000 1.183 343 W CA -0.935 56.027 57.345 -0.637 0.000 1.819 343 W CB -0.516 28.340 29.460 -1.006 0.000 1.091 343 W HN 0.773 nan 8.180 nan 0.000 0.629 344 W N 0.676 121.615 121.300 -0.601 0.000 2.894 344 W HA 0.658 5.319 4.660 0.002 0.000 0.345 344 W C -0.835 175.514 176.519 -0.285 0.000 1.152 344 W CA -1.346 55.752 57.345 -0.412 0.000 1.089 344 W CB 0.499 29.687 29.460 -0.453 0.000 1.454 344 W HN -0.399 nan 8.180 nan 0.000 0.589 345 D N 2.380 122.752 120.400 -0.046 0.000 2.396 345 D HA 0.295 4.936 4.640 0.002 0.000 0.225 345 D C -2.320 173.963 176.300 -0.028 0.000 1.121 345 D CA -1.591 52.321 54.000 -0.147 0.000 0.853 345 D CB 0.971 41.690 40.800 -0.134 0.000 1.043 345 D HN -0.085 nan 8.370 nan 0.000 0.500 346 P HA 0.141 nan 4.420 nan 0.000 0.268 346 P C -0.814 176.433 177.300 -0.090 0.000 1.204 346 P CA -0.353 62.772 63.100 0.040 0.000 0.768 346 P CB 0.703 32.518 31.700 0.192 0.000 0.842 347 A N 3.374 125.835 122.820 -0.599 0.000 2.302 347 A HA 0.500 4.821 4.320 0.002 0.000 0.295 347 A C 1.540 179.052 177.584 -0.121 0.000 1.235 347 A CA 0.089 51.928 52.037 -0.329 0.000 0.876 347 A CB -0.003 18.703 19.000 -0.491 0.000 1.133 347 A HN 0.565 nan 8.150 nan 0.000 0.533 348 A N 2.875 125.563 122.820 -0.220 0.000 1.873 348 A HA 0.263 4.584 4.320 0.002 0.000 0.218 348 A C 2.029 179.195 177.584 -0.697 0.000 1.193 348 A CA 1.835 53.380 52.037 -0.821 0.000 0.629 348 A CB -1.144 16.914 19.000 -1.569 0.000 0.826 348 A HN 2.615 nan 8.150 nan 0.000 0.447 349 G N -1.798 106.611 108.800 -0.652 0.000 2.221 349 G HA2 -0.098 3.863 3.960 0.002 0.000 0.265 349 G HA3 -0.098 3.863 3.960 0.002 0.000 0.265 349 G C 0.439 175.033 174.900 -0.511 0.000 1.041 349 G CA 0.874 45.726 45.100 -0.414 0.000 0.807 349 G HN 1.879 nan 8.290 nan 0.000 0.502 350 V N -1.755 117.675 119.914 -0.806 0.000 2.778 350 V HA 0.698 4.820 4.120 0.002 0.000 0.356 350 V C 0.917 176.890 176.094 -0.201 0.000 1.283 350 V CA 0.133 62.072 62.300 -0.601 0.000 1.247 350 V CB -0.178 31.098 31.823 -0.912 0.000 1.408 350 V HN 1.192 nan 8.190 nan 0.000 0.620 351 S N 0.612 116.243 115.700 -0.116 0.000 2.608 351 S HA 0.452 4.923 4.470 0.002 0.000 0.261 351 S C -1.251 173.405 174.600 0.093 0.000 1.314 351 S CA -0.477 57.790 58.200 0.112 0.000 0.992 351 S CB 1.020 64.229 63.200 0.016 0.000 0.935 351 S HN 0.293 nan 8.310 nan 0.000 0.564 352 P HA -0.108 nan 4.420 nan 0.000 0.215 352 P C 1.076 178.384 177.300 0.013 0.000 1.157 352 P CA 1.452 64.573 63.100 0.035 0.000 0.874 352 P CB -0.059 31.591 31.700 -0.082 0.000 0.790 353 E N -0.184 120.002 120.200 -0.025 0.000 2.051 353 E HA -0.179 4.173 4.350 0.002 0.000 0.192 353 E C 1.990 178.576 176.600 -0.023 0.000 0.991 353 E CA 1.234 57.620 56.400 -0.023 0.000 0.799 353 E CB -0.780 28.892 29.700 -0.046 0.000 0.748 353 E HN 0.413 nan 8.360 nan 0.000 0.449 354 E N 0.390 120.540 120.200 -0.084 0.000 2.110 354 E HA -0.127 4.224 4.350 0.002 0.000 0.193 354 E C 2.111 178.633 176.600 -0.129 0.000 0.988 354 E CA 0.779 57.094 56.400 -0.141 0.000 0.804 354 E CB -0.067 29.476 29.700 -0.261 0.000 0.745 354 E HN 0.137 nan 8.360 nan 0.000 0.458 355 R N 0.896 121.323 120.500 -0.121 0.000 2.115 355 R HA -0.144 4.197 4.340 0.002 0.000 0.230 355 R C 2.287 178.557 176.300 -0.049 0.000 1.111 355 R CA 1.527 57.540 56.100 -0.144 0.000 0.976 355 R CB -0.196 30.144 30.300 0.066 0.000 0.870 355 R HN 0.388 nan 8.270 nan 0.000 0.445 356 E N -0.424 119.789 120.200 0.021 0.000 2.152 356 E HA -0.218 4.133 4.350 0.002 0.000 0.192 356 E C 1.718 178.338 176.600 0.032 0.000 0.983 356 E CA 0.699 57.121 56.400 0.037 0.000 0.818 356 E CB -0.465 29.262 29.700 0.045 0.000 0.758 356 E HN 0.400 nan 8.360 nan 0.000 0.467 357 W N 2.241 123.459 121.300 -0.136 0.000 2.333 357 W HA -0.131 4.529 4.660 0.001 0.000 0.316 357 W C 1.930 178.346 176.519 -0.172 0.000 1.215 357 W CA 1.592 58.850 57.345 -0.145 0.000 1.278 357 W CB -0.236 29.126 29.460 -0.163 0.000 1.154 357 W HN -0.049 nan 8.180 nan 0.000 0.486 358 L N 0.412 121.631 121.223 -0.007 0.000 2.043 358 L HA -0.260 4.081 4.340 0.002 0.000 0.212 358 L C 2.443 179.199 176.870 -0.190 0.000 1.075 358 L CA 1.986 56.648 54.840 -0.296 0.000 0.752 358 L CB -0.977 40.460 42.059 -1.037 0.000 0.891 358 L HN 0.014 nan 8.230 nan 0.000 0.432 359 E N 0.385 120.528 120.200 -0.095 0.000 2.106 359 E HA -0.211 4.140 4.350 0.002 0.000 0.192 359 E C 2.002 178.580 176.600 -0.036 0.000 0.984 359 E CA 1.323 57.753 56.400 0.050 0.000 0.806 359 E CB 0.041 29.797 29.700 0.093 0.000 0.750 359 E HN 0.445 nan 8.360 nan 0.000 0.458 360 E N -0.217 119.885 120.200 -0.163 0.000 2.072 360 E HA -0.143 4.208 4.350 0.002 0.000 0.191 360 E C 1.874 178.264 176.600 -0.349 0.000 0.985 360 E CA 0.909 57.170 56.400 -0.231 0.000 0.801 360 E CB 0.010 29.537 29.700 -0.287 0.000 0.750 360 E HN 0.051 nan 8.360 nan 0.000 0.452 361 K N 0.079 120.128 120.400 -0.585 0.000 2.228 361 K HA -0.017 4.304 4.320 0.002 0.000 0.202 361 K C 0.078 176.172 176.600 -0.843 0.000 1.051 361 K CA 0.786 56.561 56.287 -0.854 0.000 0.960 361 K CB 0.203 31.901 32.500 -1.336 0.000 0.743 361 K HN 0.209 nan 8.250 nan 0.000 0.458 362 Y N 0.193 120.438 120.300 -0.092 0.000 2.563 362 Y HA 0.274 4.825 4.550 0.002 0.000 0.351 362 Y C -2.582 173.394 175.900 0.128 0.000 1.087 362 Y CA -2.794 55.360 58.100 0.091 0.000 1.272 362 Y CB 1.172 39.767 38.460 0.226 0.000 1.095 362 Y HN -0.133 nan 8.280 nan 0.000 0.620 363 P HA 0.163 nan 4.420 nan 0.000 0.262 363 P C 0.975 178.399 177.300 0.205 0.000 1.199 363 P CA 1.549 64.740 63.100 0.152 0.000 0.763 363 P CB 0.699 32.448 31.700 0.081 0.000 0.790 364 G N 2.458 111.388 108.800 0.218 0.000 2.255 364 G HA2 -0.237 3.724 3.960 0.002 0.000 0.196 364 G HA3 -0.237 3.724 3.960 0.002 0.000 0.196 364 G C 0.883 175.931 174.900 0.247 0.000 0.998 364 G CA -0.069 45.146 45.100 0.192 0.000 0.656 364 G HN 0.513 nan 8.290 nan 0.000 0.490 365 W N 1.746 123.142 121.300 0.160 0.000 2.317 365 W HA -0.065 4.595 4.660 0.001 0.000 0.318 365 W C 2.204 178.831 176.519 0.180 0.000 1.227 365 W CA 2.285 59.747 57.345 0.196 0.000 1.269 365 W CB -0.133 29.408 29.460 0.134 0.000 1.155 365 W HN 0.247 nan 8.180 nan 0.000 0.484 366 N N -0.131 118.853 118.700 0.474 0.000 2.309 366 N HA -0.153 4.588 4.740 0.002 0.000 0.182 366 N C 0.765 176.326 175.510 0.085 0.000 1.018 366 N CA 1.609 54.861 53.050 0.337 0.000 0.876 366 N CB -0.406 38.295 38.487 0.357 0.000 0.972 366 N HN 0.342 nan 8.380 nan 0.000 0.434 367 D N -0.535 119.895 120.400 0.051 0.000 2.349 367 D HA 0.019 4.660 4.640 0.002 0.000 0.214 367 D C 1.410 177.645 176.300 -0.108 0.000 1.063 367 D CA 0.428 54.421 54.000 -0.013 0.000 0.847 367 D CB 0.722 41.534 40.800 0.021 0.000 0.933 367 D HN 0.409 nan 8.370 nan 0.000 0.513 368 T N -2.965 111.462 114.554 -0.210 0.000 3.330 368 T HA -0.028 4.323 4.350 0.002 0.000 0.185 368 T C 1.668 176.004 174.700 -0.607 0.000 0.874 368 T CA -0.291 61.554 62.100 -0.424 0.000 1.268 368 T CB -0.709 67.842 68.868 -0.528 0.000 1.866 368 T HN 0.021 nan 8.240 nan 0.000 0.395 369 W N 2.114 123.073 121.300 -0.569 0.000 2.305 369 W HA 0.064 4.725 4.660 0.001 0.000 0.308 369 W C 2.821 178.902 176.519 -0.730 0.000 1.226 369 W CA 1.086 57.969 57.345 -0.771 0.000 1.253 369 W CB -1.055 27.610 29.460 -1.325 0.000 1.146 369 W HN 0.641 nan 8.180 nan 0.000 0.507 370 G N -0.196 108.151 108.800 -0.755 0.000 2.450 370 G HA2 -0.279 3.682 3.960 0.002 0.000 0.220 370 G HA3 -0.279 3.682 3.960 0.002 0.000 0.220 370 G C 1.474 176.356 174.900 -0.030 0.000 1.130 370 G CA 1.007 45.951 45.100 -0.261 0.000 0.760 370 G HN 0.180 nan 8.290 nan 0.000 0.557 371 Q N 0.168 119.896 119.800 -0.118 0.000 2.061 371 Q HA -0.128 4.213 4.340 0.002 0.000 0.204 371 Q C 2.858 178.807 176.000 -0.084 0.000 0.984 371 Q CA 1.467 57.215 55.803 -0.090 0.000 0.846 371 Q CB -0.996 27.657 28.738 -0.142 0.000 0.902 371 Q HN 0.560 nan 8.270 nan 0.000 0.421 372 C N -1.129 118.082 119.300 -0.147 0.000 2.466 372 C HA -0.097 4.364 4.460 0.002 0.000 0.278 372 C C 2.428 177.328 174.990 -0.150 0.000 1.288 372 C CA -0.194 58.702 59.018 -0.203 0.000 1.722 372 C CB -1.392 26.155 27.740 -0.322 0.000 2.017 372 C HN 0.584 nan 8.230 nan 0.000 0.488 373 W N 1.498 122.778 121.300 -0.034 0.000 2.363 373 W HA -0.098 4.563 4.660 0.002 0.000 0.296 373 W C 2.125 178.641 176.519 -0.005 0.000 1.212 373 W CA 0.926 58.270 57.345 -0.002 0.000 1.260 373 W CB -0.460 29.033 29.460 0.056 0.000 1.131 373 W HN 0.333 nan 8.180 nan 0.000 0.530 374 D N 0.091 120.605 120.400 0.190 0.000 2.106 374 D HA -0.206 4.435 4.640 0.002 0.000 0.191 374 D C 2.207 178.540 176.300 0.056 0.000 0.997 374 D CA 1.985 56.037 54.000 0.088 0.000 0.834 374 D CB -0.943 39.890 40.800 0.055 0.000 0.956 374 D HN 0.007 nan 8.370 nan 0.000 0.448 375 V N 1.500 121.433 119.914 0.032 0.000 2.295 375 V HA -0.223 3.898 4.120 0.002 0.000 0.246 375 V C 2.472 178.603 176.094 0.061 0.000 1.049 375 V CA 1.008 63.319 62.300 0.018 0.000 1.024 375 V CB -0.332 31.477 31.823 -0.023 0.000 0.648 375 V HN 0.152 nan 8.190 nan 0.000 0.447 376 I N 0.516 121.148 120.570 0.103 0.000 2.163 376 I HA -0.209 3.962 4.170 0.002 0.000 0.243 376 I C 2.557 178.805 176.117 0.218 0.000 1.085 376 I CA 1.997 63.416 61.300 0.198 0.000 1.347 376 I CB -1.876 36.275 38.000 0.252 0.000 1.044 376 I HN 0.333 nan 8.210 nan 0.000 0.408 377 T N 0.809 115.485 114.554 0.203 0.000 2.708 377 T HA -0.154 4.197 4.350 0.002 0.000 0.266 377 T C 1.528 176.235 174.700 0.012 0.000 1.037 377 T CA 1.514 63.676 62.100 0.103 0.000 1.146 377 T CB -0.271 68.538 68.868 -0.098 0.000 0.865 377 T HN 0.275 nan 8.240 nan 0.000 0.435 378 D N 1.343 121.752 120.400 0.014 0.000 2.133 378 D HA -0.091 4.550 4.640 0.002 0.000 0.195 378 D C 1.978 178.285 176.300 0.011 0.000 0.997 378 D CA 1.122 55.129 54.000 0.011 0.000 0.840 378 D CB -0.634 40.174 40.800 0.014 0.000 0.947 378 D HN 0.468 nan 8.370 nan 0.000 0.452 379 N N -0.184 118.531 118.700 0.025 0.000 2.166 379 N HA -0.061 4.681 4.740 0.002 0.000 0.186 379 N C 1.908 177.410 175.510 -0.013 0.000 1.019 379 N CA 0.433 53.490 53.050 0.012 0.000 0.856 379 N CB 0.009 38.516 38.487 0.033 0.000 0.993 379 N HN 0.121 nan 8.380 nan 0.000 0.426 380 L N -0.047 121.173 121.223 -0.006 0.000 2.095 380 L HA -0.062 4.279 4.340 0.002 0.000 0.204 380 L C 2.130 178.948 176.870 -0.087 0.000 1.080 380 L CA 0.537 55.334 54.840 -0.072 0.000 0.759 380 L CB -0.357 41.655 42.059 -0.078 0.000 0.914 380 L HN 0.041 nan 8.230 nan 0.000 0.439 381 V N 0.200 120.084 119.914 -0.050 0.000 2.287 381 V HA -0.272 3.849 4.120 0.002 0.000 0.248 381 V C 1.460 177.539 176.094 -0.025 0.000 1.053 381 V CA 1.729 64.016 62.300 -0.022 0.000 1.027 381 V CB -0.584 31.252 31.823 0.022 0.000 0.646 381 V HN 0.512 nan 8.190 nan 0.000 0.447 382 N N 0.325 119.011 118.700 -0.023 0.000 2.362 382 N HA 0.159 4.900 4.740 0.002 0.000 0.211 382 N C 1.284 176.772 175.510 -0.038 0.000 1.170 382 N CA 0.856 53.892 53.050 -0.023 0.000 0.828 382 N CB 0.255 38.733 38.487 -0.014 0.000 1.034 382 N HN 0.577 nan 8.380 nan 0.000 0.475 383 G N 1.045 109.810 108.800 -0.057 0.000 2.249 383 G HA2 -0.328 3.633 3.960 0.002 0.000 0.273 383 G HA3 -0.328 3.633 3.960 0.002 0.000 0.273 383 G C 0.110 174.968 174.900 -0.071 0.000 1.036 383 G CA 0.195 45.252 45.100 -0.072 0.000 0.824 383 G HN 0.392 nan 8.290 nan 0.000 0.504 384 K N 0.101 120.461 120.400 -0.067 0.000 3.122 384 K HA 0.245 4.566 4.320 0.002 0.000 0.193 384 K C -1.302 175.253 176.600 -0.075 0.000 1.141 384 K CA -1.337 54.912 56.287 -0.062 0.000 0.975 384 K CB 1.582 34.058 32.500 -0.040 0.000 1.173 384 K HN 0.164 nan 8.250 nan 0.000 0.546 385 P HA -0.260 nan 4.420 nan 0.000 0.218 385 P C 1.020 178.238 177.300 -0.136 0.000 1.148 385 P CA 1.298 64.307 63.100 -0.151 0.000 0.822 385 P CB 0.296 31.850 31.700 -0.244 0.000 0.784 386 E N 0.834 120.961 120.200 -0.122 0.000 2.267 386 E HA -0.168 4.183 4.350 0.002 0.000 0.197 386 E C 1.699 178.230 176.600 -0.114 0.000 0.998 386 E CA 0.988 57.316 56.400 -0.121 0.000 0.830 386 E CB -1.180 28.465 29.700 -0.093 0.000 0.751 386 E HN 0.345 nan 8.360 nan 0.000 0.491 387 L N 1.581 122.758 121.223 -0.077 0.000 2.592 387 L HA 0.079 4.420 4.340 0.002 0.000 0.227 387 L C 1.981 178.847 176.870 -0.008 0.000 1.127 387 L CA 0.954 55.776 54.840 -0.031 0.000 0.884 387 L CB 0.023 42.081 42.059 -0.002 0.000 1.065 387 L HN 0.192 nan 8.230 nan 0.000 0.457 388 T N -3.168 111.312 114.554 -0.125 0.000 3.069 388 T HA 0.226 4.577 4.350 0.002 0.000 0.252 388 T C 0.323 174.463 174.700 -0.933 0.000 1.053 388 T CA -0.153 61.805 62.100 -0.237 0.000 0.964 388 T CB -0.080 68.850 68.868 0.103 0.000 1.005 388 T HN 0.013 nan 8.240 nan 0.000 0.532 389 V N -1.261 118.182 119.914 -0.785 0.000 2.914 389 V HA 0.861 4.982 4.120 0.002 0.000 0.314 389 V C -3.032 172.686 176.094 -0.627 0.000 1.084 389 V CA -2.816 58.954 62.300 -0.883 0.000 0.963 389 V CB 2.088 33.602 31.823 -0.514 0.000 1.025 389 V HN -0.015 nan 8.190 nan 0.000 0.432 390 P HA 0.553 nan 4.420 nan 0.000 0.283 390 P C -0.516 176.674 177.300 -0.183 0.000 1.271 390 P CA -0.327 62.562 63.100 -0.353 0.000 0.841 390 P CB 1.973 33.169 31.700 -0.841 0.000 1.122 391 E N -1.239 118.918 120.200 -0.071 0.000 2.714 391 E HA 0.173 4.525 4.350 0.002 0.000 0.219 391 E C 0.075 176.683 176.600 0.013 0.000 0.979 391 E CA 0.023 56.405 56.400 -0.029 0.000 1.092 391 E CB 1.031 30.713 29.700 -0.030 0.000 1.049 391 E HN 0.388 nan 8.360 nan 0.000 0.487 392 T N -0.341 114.257 114.554 0.073 0.000 2.778 392 T HA 0.473 4.824 4.350 0.002 0.000 0.293 392 T C -1.514 173.316 174.700 0.216 0.000 1.144 392 T CA -0.644 61.500 62.100 0.075 0.000 1.010 392 T CB 1.003 69.897 68.868 0.043 0.000 1.325 392 T HN -0.078 nan 8.240 nan 0.000 0.515 393 L N 3.182 124.394 121.223 -0.019 0.000 2.343 393 L HA 0.522 4.863 4.340 0.002 0.000 0.275 393 L C -1.792 174.930 176.870 -0.247 0.000 1.056 393 L CA -1.864 52.875 54.840 -0.168 0.000 0.804 393 L CB 1.135 42.980 42.059 -0.356 0.000 1.203 393 L HN 0.580 nan 8.230 nan 0.000 0.440 394 P HA 0.123 nan 4.420 nan 0.000 0.276 394 P C -0.476 176.580 177.300 -0.406 0.000 1.252 394 P CA -0.368 62.376 63.100 -0.593 0.000 0.802 394 P CB 0.563 31.638 31.700 -1.042 0.000 1.035 395 T N 2.300 116.674 114.554 -0.301 0.000 2.888 395 T HA 0.196 4.547 4.350 0.002 0.000 0.301 395 T C 0.521 175.080 174.700 -0.234 0.000 1.001 395 T CA 0.138 62.078 62.100 -0.267 0.000 1.147 395 T CB -0.199 68.513 68.868 -0.259 0.000 0.931 395 T HN 0.166 nan 8.240 nan 0.000 0.541 396 I N 2.278 122.737 120.570 -0.184 0.000 2.359 396 I HA 0.195 4.366 4.170 0.002 0.000 0.294 396 I C 1.044 177.142 176.117 -0.031 0.000 0.987 396 I CA -1.111 60.125 61.300 -0.106 0.000 1.225 396 I CB 0.968 38.932 38.000 -0.060 0.000 1.366 396 I HN 0.745 nan 8.210 nan 0.000 0.466 397 C N 6.739 126.053 119.300 0.023 0.000 2.611 397 C HA 0.023 4.484 4.460 0.002 0.000 0.416 397 C C 1.852 176.884 174.990 0.070 0.000 1.366 397 C CA -0.111 58.946 59.018 0.066 0.000 1.761 397 C CB -0.614 27.227 27.740 0.168 0.000 2.619 397 C HN 0.739 nan 8.230 nan 0.000 0.606 398 N N 3.194 121.848 118.700 -0.077 0.000 2.461 398 N HA -0.050 4.691 4.740 0.002 0.000 0.188 398 N C 1.000 176.698 175.510 0.313 0.000 1.134 398 N CA 0.515 53.609 53.050 0.074 0.000 0.878 398 N CB 0.158 38.600 38.487 -0.074 0.000 0.972 398 N HN 0.793 nan 8.380 nan 0.000 0.456 399 M N 0.419 120.242 119.600 0.372 0.000 2.749 399 M HA 0.042 4.523 4.480 0.002 0.000 0.240 399 M C 2.177 178.607 176.300 0.217 0.000 1.285 399 M CA 1.128 56.599 55.300 0.284 0.000 1.267 399 M CB -0.778 31.993 32.600 0.286 0.000 1.184 399 M HN 0.140 nan 8.290 nan 0.000 0.526 400 C N 0.455 119.891 119.300 0.227 0.000 2.618 400 C HA 0.359 4.820 4.460 0.002 0.000 0.264 400 C C 0.637 175.735 174.990 0.181 0.000 1.334 400 C CA 0.061 59.185 59.018 0.176 0.000 1.731 400 C CB -1.851 25.966 27.740 0.128 0.000 1.852 400 C HN 0.735 nan 8.230 nan 0.000 0.566 401 N N 0.811 119.634 118.700 0.205 0.000 2.725 401 N HA -0.145 4.596 4.740 0.002 0.000 0.249 401 N C -0.675 174.970 175.510 0.225 0.000 1.103 401 N CA 1.102 54.288 53.050 0.227 0.000 0.707 401 N CB -1.208 37.450 38.487 0.286 0.000 1.043 401 N HN 0.665 nan 8.380 nan 0.000 0.553 402 L N -0.108 121.205 121.223 0.151 0.000 2.341 402 L HA 0.606 4.947 4.340 0.002 0.000 0.267 402 L C -2.127 174.727 176.870 -0.027 0.000 1.009 402 L CA -1.960 52.938 54.840 0.097 0.000 0.819 402 L CB 1.728 43.849 42.059 0.104 0.000 1.323 402 L HN -0.251 nan 8.230 nan 0.000 0.425 403 P HA 0.090 nan 4.420 nan 0.000 0.267 403 P C -0.655 176.604 177.300 -0.067 0.000 1.200 403 P CA 0.251 63.215 63.100 -0.226 0.000 0.772 403 P CB 0.495 31.971 31.700 -0.373 0.000 0.855 404 I N 1.849 122.393 120.570 -0.044 0.000 2.301 404 I HA 0.450 4.622 4.170 0.002 0.000 0.292 404 I C 0.540 176.705 176.117 0.080 0.000 1.046 404 I CA -0.019 61.316 61.300 0.058 0.000 1.282 404 I CB 0.324 38.365 38.000 0.068 0.000 1.409 404 I HN 0.346 nan 8.210 nan 0.000 0.484 405 A N 5.392 128.311 122.820 0.165 0.000 2.572 405 A HA 0.863 5.184 4.320 0.002 0.000 0.295 405 A C -1.289 176.547 177.584 0.420 0.000 1.072 405 A CA -0.318 51.864 52.037 0.242 0.000 0.691 405 A CB 1.928 21.061 19.000 0.220 0.000 1.291 405 A HN 0.742 nan 8.150 nan 0.000 0.404 406 H N -0.831 118.415 119.070 0.292 0.000 2.888 406 H HA 0.495 5.052 4.556 0.002 0.000 0.267 406 H C -0.411 174.996 175.328 0.131 0.000 1.482 406 H CA 0.361 56.606 56.048 0.329 0.000 1.165 406 H CB 0.768 30.651 29.762 0.202 0.000 1.866 406 H HN 0.664 nan 8.280 nan 0.000 0.599 407 T N 4.881 119.241 114.554 -0.323 0.000 2.866 407 T HA 0.191 4.543 4.350 0.002 0.000 0.293 407 T C -2.318 172.100 174.700 -0.470 0.000 1.005 407 T CA -0.321 61.423 62.100 -0.592 0.000 1.162 407 T CB 0.333 68.969 68.868 -0.386 0.000 0.968 407 T HN 0.290 nan 8.240 nan 0.000 0.530 408 P HA 0.639 nan 4.420 nan 0.000 0.328 408 P C 0.795 177.924 177.300 -0.285 0.000 1.288 408 P CA -0.098 62.805 63.100 -0.327 0.000 0.786 408 P CB 0.799 32.197 31.700 -0.504 0.000 1.388 409 G N 0.252 108.922 108.800 -0.217 0.000 2.550 409 G HA2 -0.303 3.658 3.960 0.002 0.000 0.277 409 G HA3 -0.303 3.658 3.960 0.002 0.000 0.277 409 G C 0.805 175.642 174.900 -0.105 0.000 1.190 409 G CA 0.417 45.402 45.100 -0.192 0.000 0.971 409 G HN 0.587 nan 8.290 nan 0.000 0.559 410 N N 1.505 120.148 118.700 -0.095 0.000 2.571 410 N HA 0.003 4.744 4.740 0.002 0.000 0.189 410 N C 0.856 176.362 175.510 -0.007 0.000 1.154 410 N CA 1.113 54.139 53.050 -0.040 0.000 0.907 410 N CB 0.115 38.583 38.487 -0.032 0.000 0.977 410 N HN 0.549 nan 8.380 nan 0.000 0.449 411 K N -0.005 120.383 120.400 -0.020 0.000 3.239 411 K HA 0.049 4.370 4.320 0.002 0.000 0.204 411 K C -0.877 175.743 176.600 0.033 0.000 1.126 411 K CA -0.609 55.684 56.287 0.010 0.000 0.948 411 K CB 0.216 32.709 32.500 -0.013 0.000 0.818 411 K HN 0.045 nan 8.250 nan 0.000 0.480 412 W N 2.358 123.583 121.300 -0.127 0.000 2.476 412 W HA -0.118 4.543 4.660 0.002 0.000 0.338 412 W C 0.332 176.822 176.519 -0.049 0.000 1.328 412 W CA 0.953 58.225 57.345 -0.122 0.000 1.300 412 W CB 0.155 29.553 29.460 -0.102 0.000 1.252 412 W HN 0.285 nan 8.180 nan 0.000 0.568 413 N N 4.842 123.276 118.700 -0.444 0.000 2.545 413 N HA 0.063 4.804 4.740 0.002 0.000 0.283 413 N C -1.850 173.503 175.510 -0.261 0.000 1.596 413 N CA -0.226 52.613 53.050 -0.350 0.000 0.862 413 N CB -0.002 38.468 38.487 -0.029 0.000 1.422 413 N HN 0.038 nan 8.380 nan 0.000 0.489 414 V N 1.433 120.996 119.914 -0.585 0.000 2.488 414 V HA 0.368 4.489 4.120 0.002 0.000 0.277 414 V C 0.267 176.204 176.094 -0.263 0.000 1.046 414 V CA 0.037 62.220 62.300 -0.194 0.000 0.986 414 V CB 0.913 32.731 31.823 -0.008 0.000 0.989 414 V HN 0.113 nan 8.190 nan 0.000 0.475 415 K N 2.901 123.237 120.400 -0.108 0.000 2.435 415 K HA 0.560 4.881 4.320 0.002 0.000 0.251 415 K C -1.394 175.150 176.600 -0.093 0.000 0.954 415 K CA -0.947 55.223 56.287 -0.195 0.000 0.820 415 K CB 2.546 34.840 32.500 -0.344 0.000 1.292 415 K HN 0.593 nan 8.250 nan 0.000 0.436 416 D N 1.285 121.585 120.400 -0.167 0.000 2.502 416 D HA 0.211 4.852 4.640 0.002 0.000 0.249 416 D C -1.313 174.923 176.300 -0.107 0.000 1.092 416 D CA -0.455 53.556 54.000 0.018 0.000 0.839 416 D CB 0.764 41.623 40.800 0.099 0.000 1.264 416 D HN 0.391 nan 8.370 nan 0.000 0.511 417 Y N 2.542 122.937 120.300 0.159 0.000 2.817 417 Y HA 0.230 4.781 4.550 0.002 0.000 0.339 417 Y C 1.040 177.076 175.900 0.226 0.000 1.281 417 Y CA -0.618 57.580 58.100 0.164 0.000 1.564 417 Y CB 0.312 38.871 38.460 0.164 0.000 1.628 417 Y HN 0.137 nan 8.280 nan 0.000 0.489 418 Q N 1.811 121.718 119.800 0.179 0.000 2.454 418 Q HA 0.410 4.751 4.340 0.002 0.000 0.247 418 Q C -1.056 175.029 176.000 0.141 0.000 1.028 418 Q CA -0.342 55.505 55.803 0.074 0.000 0.910 418 Q CB 1.166 29.872 28.738 -0.052 0.000 1.276 418 Q HN 0.530 nan 8.270 nan 0.000 0.489 419 L N 0.412 121.699 121.223 0.108 0.000 2.493 419 L HA 0.335 4.676 4.340 0.002 0.000 0.265 419 L C -1.494 175.479 176.870 0.171 0.000 0.954 419 L CA -0.161 54.773 54.840 0.155 0.000 0.844 419 L CB 2.241 44.415 42.059 0.192 0.000 1.302 419 L HN 0.597 nan 8.230 nan 0.000 0.405 420 E N 3.533 123.832 120.200 0.165 0.000 2.134 420 E HA 0.322 4.674 4.350 0.002 0.000 0.278 420 E C -2.095 174.687 176.600 0.302 0.000 0.959 420 E CA -0.563 55.951 56.400 0.190 0.000 0.783 420 E CB 1.121 30.881 29.700 0.099 0.000 1.095 420 E HN 0.590 nan 8.360 nan 0.000 0.399 421 Y N 3.256 123.704 120.300 0.247 0.000 2.361 421 Y HA 0.130 4.681 4.550 0.002 0.000 0.328 421 Y C -0.693 175.376 175.900 0.281 0.000 1.044 421 Y CA -0.701 57.556 58.100 0.262 0.000 1.085 421 Y CB 1.060 39.690 38.460 0.282 0.000 1.194 421 Y HN 0.732 nan 8.280 nan 0.000 0.438 422 E N 4.227 124.230 120.200 -0.329 0.000 2.294 422 E HA -0.280 4.071 4.350 0.002 0.000 0.228 422 E C 1.039 177.629 176.600 -0.015 0.000 1.253 422 E CA 1.134 57.405 56.400 -0.215 0.000 0.716 422 E CB -1.293 28.216 29.700 -0.318 0.000 1.184 422 E HN 1.288 nan 8.360 nan 0.000 0.374 423 G N 0.095 108.907 108.800 0.019 0.000 2.157 423 G HA2 -0.372 3.589 3.960 0.002 0.000 0.248 423 G HA3 -0.372 3.589 3.960 0.002 0.000 0.248 423 G C 0.170 175.086 174.900 0.026 0.000 0.979 423 G CA 0.422 45.535 45.100 0.022 0.000 0.650 423 G HN 0.391 nan 8.290 nan 0.000 0.529 424 R N -0.526 120.012 120.500 0.062 0.000 2.637 424 R HA 0.734 5.075 4.340 0.002 0.000 0.291 424 R C -0.880 175.362 176.300 -0.096 0.000 0.963 424 R CA -1.024 55.035 56.100 -0.068 0.000 0.901 424 R CB 1.028 31.223 30.300 -0.175 0.000 1.160 424 R HN 0.241 nan 8.270 nan 0.000 0.457 425 L N 4.283 125.380 121.223 -0.210 0.000 2.264 425 L HA 0.398 4.739 4.340 0.002 0.000 0.289 425 L C -1.607 174.994 176.870 -0.449 0.000 1.044 425 L CA -0.109 54.602 54.840 -0.215 0.000 0.807 425 L CB 0.744 42.701 42.059 -0.170 0.000 1.192 425 L HN 0.554 nan 8.230 nan 0.000 0.425 426 Y N 3.201 123.288 120.300 -0.356 0.000 2.457 426 Y HA 0.515 5.066 4.550 0.002 0.000 0.333 426 Y C -0.277 175.130 175.900 -0.822 0.000 1.119 426 Y CA -0.406 57.367 58.100 -0.544 0.000 1.143 426 Y CB 1.351 39.419 38.460 -0.652 0.000 1.230 426 Y HN 0.576 nan 8.280 nan 0.000 0.469 427 H N 1.436 120.205 119.070 -0.501 0.000 2.524 427 H HA 0.562 5.119 4.556 0.002 0.000 0.353 427 H C -1.514 173.412 175.328 -0.670 0.000 1.136 427 H CA -0.677 55.132 56.048 -0.399 0.000 1.193 427 H CB 1.184 30.827 29.762 -0.198 0.000 1.558 427 H HN 0.401 nan 8.280 nan 0.000 0.515 428 F N -0.281 119.795 119.950 0.210 0.000 2.569 428 F HA 0.343 4.871 4.527 0.002 0.000 0.312 428 F C 1.196 177.151 175.800 0.257 0.000 1.109 428 F CA -0.872 57.240 58.000 0.186 0.000 0.919 428 F CB 2.131 41.206 39.000 0.126 0.000 1.211 428 F HN 0.728 nan 8.300 nan 0.000 0.446 429 G N 0.343 109.385 108.800 0.402 0.000 2.813 429 G HA2 0.330 4.291 3.960 0.002 0.000 0.209 429 G HA3 0.330 4.291 3.960 0.002 0.000 0.209 429 G C -0.063 175.007 174.900 0.283 0.000 1.150 429 G CA 0.743 46.036 45.100 0.322 0.000 0.785 429 G HN 0.663 nan 8.290 nan 0.000 0.535 430 S N -1.793 113.965 115.700 0.097 0.000 2.611 430 S HA 0.369 4.840 4.470 0.002 0.000 0.268 430 S C 0.284 174.373 174.600 -0.851 0.000 1.156 430 S CA -0.203 57.742 58.200 -0.425 0.000 0.817 430 S CB 1.754 64.972 63.200 0.030 0.000 1.122 430 S HN -0.036 nan 8.310 nan 0.000 0.466 431 E N 1.269 120.806 120.200 -1.105 0.000 2.077 431 E HA 0.024 4.375 4.350 0.002 0.000 0.193 431 E C 2.051 178.517 176.600 -0.223 0.000 0.989 431 E CA 2.023 58.067 56.400 -0.593 0.000 0.800 431 E CB -0.655 28.886 29.700 -0.265 0.000 0.746 431 E HN 0.787 nan 8.360 nan 0.000 0.452 432 A N 0.855 123.409 122.820 -0.444 0.000 1.902 432 A HA -0.212 4.109 4.320 0.002 0.000 0.217 432 A C 1.968 179.329 177.584 -0.371 0.000 1.181 432 A CA 1.819 53.483 52.037 -0.621 0.000 0.623 432 A CB -0.681 16.885 19.000 -2.389 0.000 0.818 432 A HN 0.311 nan 8.150 nan 0.000 0.443 433 D N -0.817 119.399 120.400 -0.308 0.000 2.104 433 D HA -0.176 4.465 4.640 0.002 0.000 0.194 433 D C 2.129 178.189 176.300 -0.400 0.000 0.994 433 D CA 1.483 55.454 54.000 -0.048 0.000 0.830 433 D CB -0.254 40.699 40.800 0.255 0.000 0.959 433 D HN 0.514 nan 8.370 nan 0.000 0.452 434 R N -0.318 119.831 120.500 -0.585 0.000 2.120 434 R HA -0.166 4.175 4.340 0.002 0.000 0.234 434 R C 2.210 178.195 176.300 -0.524 0.000 1.123 434 R CA 1.114 56.537 56.100 -1.129 0.000 0.975 434 R CB -0.342 29.615 30.300 -0.572 0.000 0.866 434 R HN 0.228 nan 8.270 nan 0.000 0.446 435 W N 0.392 121.478 121.300 -0.356 0.000 2.388 435 W HA -0.146 4.516 4.660 0.002 0.000 0.294 435 W C 1.842 178.290 176.519 -0.119 0.000 1.212 435 W CA 0.815 58.053 57.345 -0.179 0.000 1.271 435 W CB -0.433 29.015 29.460 -0.021 0.000 1.126 435 W HN 0.081 nan 8.180 nan 0.000 0.535 436 C N 0.006 119.198 119.300 -0.180 0.000 2.425 436 C HA -0.190 4.271 4.460 0.002 0.000 0.277 436 C C 2.574 177.327 174.990 -0.395 0.000 1.280 436 C CA 1.248 60.068 59.018 -0.330 0.000 1.744 436 C CB -1.891 25.774 27.740 -0.124 0.000 1.989 436 C HN 0.474 nan 8.230 nan 0.000 0.491 437 F N 1.490 121.075 119.950 -0.608 0.000 2.084 437 F HA -0.202 4.326 4.527 0.002 0.000 0.296 437 F C 2.658 178.211 175.800 -0.412 0.000 1.111 437 F CA 1.797 59.468 58.000 -0.549 0.000 1.224 437 F CB -0.404 38.236 39.000 -0.601 0.000 0.991 437 F HN 0.273 nan 8.300 nan 0.000 0.471 438 Q N 0.411 120.127 119.800 -0.140 0.000 2.167 438 Q HA -0.133 4.208 4.340 0.002 0.000 0.202 438 Q C 2.313 178.145 176.000 -0.280 0.000 0.970 438 Q CA 1.756 57.466 55.803 -0.156 0.000 0.855 438 Q CB -0.393 28.295 28.738 -0.084 0.000 0.911 438 Q HN 0.704 nan 8.270 nan 0.000 0.438 439 I N -1.879 118.424 120.570 -0.445 0.000 2.830 439 I HA -0.013 4.158 4.170 0.002 0.000 0.263 439 I C 0.280 176.225 176.117 -0.287 0.000 1.230 439 I CA 0.921 61.975 61.300 -0.411 0.000 1.480 439 I CB 0.189 37.806 38.000 -0.638 0.000 1.095 439 I HN -0.097 nan 8.210 nan 0.000 0.455 440 D N 1.103 121.333 120.400 -0.283 0.000 2.978 440 D HA 0.218 4.860 4.640 0.002 0.000 0.268 440 D C -1.886 174.216 176.300 -0.329 0.000 1.252 440 D CA -1.562 52.299 54.000 -0.231 0.000 0.771 440 D CB 0.849 41.555 40.800 -0.157 0.000 1.361 440 D HN 0.027 nan 8.370 nan 0.000 0.558 441 P HA -0.075 nan 4.420 nan 0.000 0.219 441 P C 1.001 177.997 177.300 -0.507 0.000 1.150 441 P CA 0.758 63.321 63.100 -0.895 0.000 0.814 441 P CB 0.529 31.654 31.700 -0.959 0.000 0.787 442 E N -0.019 120.026 120.200 -0.257 0.000 2.409 442 E HA -0.153 4.198 4.350 0.002 0.000 0.198 442 E C 2.047 178.524 176.600 -0.205 0.000 1.024 442 E CA 0.537 56.854 56.400 -0.139 0.000 0.861 442 E CB -0.491 29.161 29.700 -0.080 0.000 0.788 442 E HN 0.389 nan 8.360 nan 0.000 0.521 443 R N -0.296 119.986 120.500 -0.364 0.000 2.200 443 R HA -0.059 4.283 4.340 0.002 0.000 0.208 443 R C 0.827 176.726 176.300 -0.667 0.000 1.033 443 R CA 0.814 56.572 56.100 -0.570 0.000 1.000 443 R CB 0.199 29.988 30.300 -0.851 0.000 0.906 443 R HN 0.161 nan 8.270 nan 0.000 0.462 444 Y N -1.219 118.954 120.300 -0.212 0.000 2.432 444 Y HA 0.306 4.857 4.550 0.002 0.000 0.252 444 Y C 1.650 177.645 175.900 0.158 0.000 1.097 444 Y CA -0.628 57.444 58.100 -0.046 0.000 1.250 444 Y CB 0.426 38.841 38.460 -0.075 0.000 1.245 444 Y HN -0.167 nan 8.280 nan 0.000 0.522 445 K N 1.365 121.875 120.400 0.184 0.000 2.032 445 K HA -0.242 4.079 4.320 0.002 0.000 0.218 445 K C 1.221 178.136 176.600 0.526 0.000 1.054 445 K CA 2.185 58.713 56.287 0.402 0.000 0.941 445 K CB -0.213 32.470 32.500 0.304 0.000 0.720 445 K HN 0.411 nan 8.250 nan 0.000 0.449 446 N N -0.297 118.615 118.700 0.353 0.000 2.235 446 N HA -0.090 4.651 4.740 0.002 0.000 0.209 446 N C 0.011 175.686 175.510 0.275 0.000 1.122 446 N CA 0.020 53.245 53.050 0.290 0.000 0.845 446 N CB -0.271 38.333 38.487 0.195 0.000 1.004 446 N HN 0.214 nan 8.380 nan 0.000 0.499 447 H N 0.951 120.182 119.070 0.268 0.000 2.707 447 H HA 0.188 4.745 4.556 0.002 0.000 0.359 447 H C -0.665 174.808 175.328 0.242 0.000 1.113 447 H CA 0.555 56.748 56.048 0.242 0.000 1.422 447 H CB 0.909 30.837 29.762 0.276 0.000 1.443 447 H HN 0.270 nan 8.280 nan 0.000 0.591 448 T N 2.603 116.880 114.554 -0.462 0.000 2.848 448 T HA 0.264 4.615 4.350 0.002 0.000 0.285 448 T C 0.019 174.506 174.700 -0.356 0.000 0.995 448 T CA -1.246 60.709 62.100 -0.242 0.000 0.970 448 T CB 1.417 70.223 68.868 -0.103 0.000 0.976 448 T HN 0.717 nan 8.240 nan 0.000 0.441 449 N N 2.243 120.912 118.700 -0.051 0.000 2.405 449 N HA 0.244 4.985 4.740 0.002 0.000 0.269 449 N C 0.991 176.549 175.510 0.080 0.000 1.249 449 N CA -1.137 51.964 53.050 0.084 0.000 0.974 449 N CB 0.080 38.665 38.487 0.164 0.000 1.204 449 N HN 0.352 nan 8.380 nan 0.000 0.565 450 L N -0.009 121.297 121.223 0.138 0.000 2.083 450 L HA -0.033 4.308 4.340 0.002 0.000 0.209 450 L C 1.877 178.798 176.870 0.085 0.000 1.083 450 L CA 1.281 56.212 54.840 0.151 0.000 0.752 450 L CB -0.680 41.496 42.059 0.195 0.000 0.899 450 L HN 0.585 nan 8.230 nan 0.000 0.433 451 V N -0.435 119.498 119.914 0.031 0.000 2.307 451 V HA -0.270 3.851 4.120 0.002 0.000 0.245 451 V C 2.272 178.400 176.094 0.056 0.000 1.045 451 V CA 1.829 64.133 62.300 0.006 0.000 1.024 451 V CB -0.670 31.108 31.823 -0.075 0.000 0.651 451 V HN 0.414 nan 8.190 nan 0.000 0.449 452 D N 0.078 120.493 120.400 0.025 0.000 2.116 452 D HA -0.195 4.446 4.640 0.002 0.000 0.193 452 D C 2.372 178.681 176.300 0.014 0.000 0.998 452 D CA 1.487 55.493 54.000 0.009 0.000 0.836 452 D CB -0.265 40.526 40.800 -0.014 0.000 0.951 452 D HN 0.431 nan 8.370 nan 0.000 0.449 453 R N -0.359 120.150 120.500 0.016 0.000 2.081 453 R HA -0.107 4.234 4.340 0.002 0.000 0.235 453 R C 2.383 178.654 176.300 -0.049 0.000 1.131 453 R CA 0.683 56.767 56.100 -0.027 0.000 0.960 453 R CB -0.570 29.701 30.300 -0.048 0.000 0.856 453 R HN 0.170 nan 8.270 nan 0.000 0.436 454 F N 1.718 121.586 119.950 -0.137 0.000 2.095 454 F HA -0.186 4.342 4.527 0.002 0.000 0.298 454 F C 1.946 177.694 175.800 -0.087 0.000 1.104 454 F CA 1.544 59.468 58.000 -0.126 0.000 1.232 454 F CB -0.153 38.791 39.000 -0.093 0.000 0.987 454 F HN -0.093 nan 8.300 nan 0.000 0.475 455 L N -0.335 120.956 121.223 0.113 0.000 2.275 455 L HA -0.161 4.180 4.340 0.002 0.000 0.215 455 L C 1.985 178.823 176.870 -0.053 0.000 1.119 455 L CA 1.131 55.992 54.840 0.034 0.000 0.790 455 L CB -0.519 41.578 42.059 0.064 0.000 0.919 455 L HN 0.096 nan 8.230 nan 0.000 0.443 456 K N -0.380 119.979 120.400 -0.068 0.000 2.393 456 K HA 0.141 4.462 4.320 0.002 0.000 0.193 456 K C 1.171 177.711 176.600 -0.100 0.000 1.026 456 K CA 0.578 56.824 56.287 -0.068 0.000 1.064 456 K CB 0.548 33.020 32.500 -0.047 0.000 0.833 456 K HN 0.346 nan 8.250 nan 0.000 0.521 457 G N 1.461 110.161 108.800 -0.168 0.000 2.163 457 G HA2 -0.240 3.721 3.960 0.002 0.000 0.213 457 G HA3 -0.240 3.721 3.960 0.002 0.000 0.213 457 G C 0.446 175.242 174.900 -0.174 0.000 0.991 457 G CA 0.095 45.085 45.100 -0.183 0.000 0.653 457 G HN 0.376 nan 8.290 nan 0.000 0.518 458 E N -0.537 119.555 120.200 -0.179 0.000 2.442 458 E HA 0.244 4.595 4.350 0.002 0.000 0.195 458 E C 0.799 177.250 176.600 -0.247 0.000 1.030 458 E CA 0.228 56.539 56.400 -0.149 0.000 0.869 458 E CB 0.370 30.013 29.700 -0.095 0.000 0.857 458 E HN 0.613 nan 8.360 nan 0.000 0.505 459 I N 2.209 122.568 120.570 -0.351 0.000 2.330 459 I HA 0.172 4.343 4.170 0.002 0.000 0.289 459 I C -0.409 175.572 176.117 -0.226 0.000 1.001 459 I CA -0.504 60.577 61.300 -0.364 0.000 1.193 459 I CB 0.968 38.756 38.000 -0.353 0.000 1.345 459 I HN -0.140 nan 8.210 nan 0.000 0.461 460 Q N 6.356 126.104 119.800 -0.087 0.000 2.315 460 Q HA 0.472 4.813 4.340 0.002 0.000 0.273 460 Q C -2.398 173.611 176.000 0.015 0.000 1.053 460 Q CA -1.851 53.918 55.803 -0.057 0.000 0.817 460 Q CB 2.169 30.880 28.738 -0.045 0.000 1.326 460 Q HN 0.357 nan 8.270 nan 0.000 0.423 461 P HA 0.049 nan 4.420 nan 0.000 0.264 461 P C -0.734 176.550 177.300 -0.027 0.000 1.179 461 P CA 0.111 63.210 63.100 -0.002 0.000 0.763 461 P CB 0.500 32.217 31.700 0.028 0.000 0.806 462 A N 2.405 125.163 122.820 -0.103 0.000 3.091 462 A HA 0.387 4.708 4.320 0.002 0.000 0.264 462 A C -0.021 177.589 177.584 0.044 0.000 1.673 462 A CA -0.134 51.742 52.037 -0.268 0.000 1.362 462 A CB -1.159 17.550 19.000 -0.486 0.000 1.137 462 A HN 0.614 nan 8.150 nan 0.000 0.617 463 D N -1.127 119.414 120.400 0.235 0.000 2.664 463 D HA 0.245 4.887 4.640 0.002 0.000 0.292 463 D C 0.631 177.087 176.300 0.259 0.000 1.214 463 D CA -0.753 53.412 54.000 0.275 0.000 0.932 463 D CB 0.090 40.971 40.800 0.136 0.000 1.420 463 D HN -0.042 nan 8.370 nan 0.000 0.471 464 L N -0.148 121.166 121.223 0.151 0.000 2.093 464 L HA -0.056 4.285 4.340 0.002 0.000 0.208 464 L C 2.398 179.337 176.870 0.114 0.000 1.085 464 L CA 1.802 56.704 54.840 0.104 0.000 0.755 464 L CB -0.779 41.311 42.059 0.052 0.000 0.904 464 L HN 0.671 nan 8.230 nan 0.000 0.435 465 A N 0.329 123.208 122.820 0.098 0.000 1.902 465 A HA -0.125 4.196 4.320 0.002 0.000 0.217 465 A C 2.384 180.040 177.584 0.120 0.000 1.181 465 A CA 1.710 53.801 52.037 0.090 0.000 0.623 465 A CB -1.108 17.932 19.000 0.066 0.000 0.818 465 A HN 0.439 nan 8.150 nan 0.000 0.443 466 G N -0.469 108.412 108.800 0.134 0.000 2.418 466 G HA2 -0.011 3.950 3.960 0.002 0.000 0.217 466 G HA3 -0.011 3.950 3.960 0.002 0.000 0.217 466 G C 1.765 176.790 174.900 0.209 0.000 1.158 466 G CA 1.496 46.685 45.100 0.148 0.000 0.771 466 G HN 0.817 nan 8.290 nan 0.000 0.545 467 A N 0.558 123.524 122.820 0.244 0.000 1.908 467 A HA 0.024 4.345 4.320 0.002 0.000 0.218 467 A C 2.454 180.207 177.584 0.281 0.000 1.181 467 A CA 1.454 53.657 52.037 0.276 0.000 0.627 467 A CB -0.427 18.706 19.000 0.222 0.000 0.818 467 A HN 0.369 nan 8.150 nan 0.000 0.445 468 L N -1.335 120.015 121.223 0.211 0.000 2.017 468 L HA -0.212 4.129 4.340 0.002 0.000 0.208 468 L C 2.854 179.850 176.870 0.211 0.000 1.073 468 L CA 1.221 56.178 54.840 0.195 0.000 0.745 468 L CB -0.444 41.693 42.059 0.131 0.000 0.894 468 L HN 0.311 nan 8.230 nan 0.000 0.432 469 M N -1.227 118.490 119.600 0.195 0.000 2.117 469 M HA -0.258 4.223 4.480 0.002 0.000 0.262 469 M C 2.383 178.816 176.300 0.221 0.000 1.065 469 M CA 1.733 57.142 55.300 0.182 0.000 1.114 469 M CB -1.137 31.553 32.600 0.150 0.000 1.361 469 M HN 0.218 nan 8.290 nan 0.000 0.408 470 Y N 0.683 121.062 120.300 0.132 0.000 2.256 470 Y HA -0.153 4.399 4.550 0.002 0.000 0.288 470 Y C 1.961 177.956 175.900 0.158 0.000 1.155 470 Y CA 1.580 59.761 58.100 0.134 0.000 1.203 470 Y CB -0.209 38.336 38.460 0.142 0.000 0.980 470 Y HN 0.151 nan 8.280 nan 0.000 0.530 471 M N -0.606 119.148 119.600 0.257 0.000 2.563 471 M HA 0.029 4.510 4.480 0.002 0.000 0.231 471 M C 0.712 177.175 176.300 0.272 0.000 1.136 471 M CA 0.767 56.210 55.300 0.238 0.000 1.026 471 M CB 0.094 32.896 32.600 0.338 0.000 1.597 471 M HN 0.163 nan 8.290 nan 0.000 0.495 472 S N 0.753 116.573 115.700 0.200 0.000 3.445 472 S HA -0.138 4.333 4.470 0.002 0.000 0.319 472 S C 0.019 174.855 174.600 0.392 0.000 1.209 472 S CA 0.545 58.885 58.200 0.234 0.000 0.934 472 S CB -1.990 61.282 63.200 0.121 0.000 0.999 472 S HN 0.517 nan 8.310 nan 0.000 0.582 473 L N 1.120 122.528 121.223 0.308 0.000 2.295 473 L HA 0.589 4.930 4.340 0.002 0.000 0.285 473 L C 0.454 177.407 176.870 0.139 0.000 1.035 473 L CA -0.167 54.805 54.840 0.219 0.000 0.806 473 L CB 1.298 43.432 42.059 0.125 0.000 1.214 473 L HN 0.194 nan 8.230 nan 0.000 0.426 474 E N 3.261 123.525 120.200 0.107 0.000 2.392 474 E HA 0.450 4.801 4.350 0.002 0.000 0.269 474 E C -2.560 174.057 176.600 0.029 0.000 0.924 474 E CA -2.136 54.307 56.400 0.071 0.000 0.784 474 E CB 1.741 31.494 29.700 0.088 0.000 1.292 474 E HN 0.290 nan 8.360 nan 0.000 0.447 475 P HA 0.015 nan 4.420 nan 0.000 0.265 475 P C 0.495 177.795 177.300 0.001 0.000 1.193 475 P CA 1.065 64.162 63.100 -0.005 0.000 0.765 475 P CB 0.484 32.184 31.700 -0.001 0.000 0.823 476 G N 1.232 110.021 108.800 -0.018 0.000 2.376 476 G HA2 -0.263 3.699 3.960 0.002 0.000 0.208 476 G HA3 -0.263 3.699 3.960 0.002 0.000 0.208 476 G C 0.703 175.584 174.900 -0.033 0.000 1.032 476 G CA 0.349 45.445 45.100 -0.007 0.000 0.641 476 G HN 0.611 nan 8.290 nan 0.000 0.503 477 V N 0.538 120.415 119.914 -0.062 0.000 3.307 477 V HA 0.585 4.706 4.120 0.002 0.000 0.244 477 V C 1.414 177.375 176.094 -0.223 0.000 1.196 477 V CA 1.259 63.462 62.300 -0.162 0.000 1.132 477 V CB -0.067 31.595 31.823 -0.268 0.000 0.875 477 V HN 0.356 nan 8.190 nan 0.000 0.468 478 M N 2.645 122.144 119.600 -0.169 0.000 2.261 478 M HA 0.266 4.747 4.480 0.002 0.000 0.350 478 M C 0.967 177.131 176.300 -0.227 0.000 1.343 478 M CA 1.261 56.449 55.300 -0.187 0.000 1.003 478 M CB 0.030 32.560 32.600 -0.116 0.000 1.848 478 M HN 0.473 nan 8.290 nan 0.000 0.456 479 G N 1.743 110.354 108.800 -0.315 0.000 2.572 479 G HA2 0.356 4.317 3.960 0.002 0.000 0.261 479 G HA3 0.356 4.317 3.960 0.002 0.000 0.261 479 G C -0.844 173.873 174.900 -0.306 0.000 1.197 479 G CA -0.270 44.615 45.100 -0.358 0.000 0.870 479 G HN 0.719 nan 8.290 nan 0.000 0.548 480 D N -1.649 118.577 120.400 -0.290 0.000 2.759 480 D HA 0.206 4.847 4.640 0.002 0.000 0.321 480 D C -1.168 174.949 176.300 -0.304 0.000 1.267 480 D CA -0.655 53.176 54.000 -0.282 0.000 0.933 480 D CB 1.817 42.528 40.800 -0.148 0.000 1.431 480 D HN 0.339 nan 8.370 nan 0.000 0.504 481 D N -0.288 119.895 120.400 -0.361 0.000 2.450 481 D HA 0.379 5.020 4.640 0.002 0.000 0.247 481 D C 0.951 177.155 176.300 -0.160 0.000 1.162 481 D CA 0.370 54.230 54.000 -0.233 0.000 0.879 481 D CB 1.148 41.599 40.800 -0.582 0.000 1.163 481 D HN 0.370 nan 8.370 nan 0.000 0.472 482 A N 3.695 126.451 122.820 -0.107 0.000 1.908 482 A HA -0.218 4.103 4.320 0.002 0.000 0.218 482 A C 1.454 178.863 177.584 -0.293 0.000 1.181 482 A CA 1.484 53.377 52.037 -0.241 0.000 0.627 482 A CB -0.595 18.178 19.000 -0.379 0.000 0.818 482 A HN 0.843 nan 8.150 nan 0.000 0.445 483 H N -1.641 117.453 119.070 0.040 0.000 2.519 483 H HA 0.205 4.763 4.556 0.002 0.000 0.289 483 H C -0.109 175.264 175.328 0.075 0.000 1.040 483 H CA 0.259 56.357 56.048 0.082 0.000 1.165 483 H CB 0.250 30.106 29.762 0.156 0.000 1.462 483 H HN 0.446 nan 8.280 nan 0.000 0.555 484 D N 0.271 120.707 120.400 0.060 0.000 2.708 484 D HA -0.303 4.338 4.640 0.002 0.000 0.236 484 D C -0.704 175.723 176.300 0.212 0.000 1.146 484 D CA 0.798 54.849 54.000 0.084 0.000 0.662 484 D CB -1.566 39.308 40.800 0.122 0.000 1.059 484 D HN 0.628 nan 8.370 nan 0.000 0.428 485 Y N -3.399 116.996 120.300 0.159 0.000 4.604 485 Y HA -0.339 4.212 4.550 0.002 0.000 0.230 485 Y C 1.654 177.369 175.900 -0.308 0.000 1.066 485 Y CA 1.131 59.121 58.100 -0.184 0.000 1.990 485 Y CB -2.082 36.268 38.460 -0.183 0.000 1.619 485 Y HN 0.312 nan 8.280 nan 0.000 0.649 486 E N 1.061 121.306 120.200 0.075 0.000 2.160 486 E HA -0.188 4.163 4.350 0.002 0.000 0.195 486 E C 1.832 178.462 176.600 0.051 0.000 0.991 486 E CA 2.045 58.487 56.400 0.070 0.000 0.810 486 E CB -0.378 29.402 29.700 0.134 0.000 0.742 486 E HN 0.687 nan 8.360 nan 0.000 0.466 487 W N -0.512 120.838 121.300 0.084 0.000 2.611 487 W HA 0.026 4.687 4.660 0.001 0.000 0.251 487 W C 1.129 177.759 176.519 0.185 0.000 1.265 487 W CA 0.467 57.856 57.345 0.072 0.000 1.295 487 W CB -0.870 28.616 29.460 0.044 0.000 1.129 487 W HN -0.090 nan 8.180 nan 0.000 0.630 488 V N 2.200 121.867 119.914 -0.412 0.000 2.548 488 V HA -0.241 3.880 4.120 0.002 0.000 0.249 488 V C 2.486 178.591 176.094 0.018 0.000 1.055 488 V CA 1.901 64.028 62.300 -0.289 0.000 1.065 488 V CB -0.726 30.792 31.823 -0.508 0.000 0.681 488 V HN 0.061 nan 8.190 nan 0.000 0.462 489 K N 0.812 121.198 120.400 -0.024 0.000 2.218 489 K HA -0.181 4.140 4.320 0.002 0.000 0.205 489 K C 2.134 178.728 176.600 -0.010 0.000 1.046 489 K CA 1.450 57.734 56.287 -0.006 0.000 0.933 489 K CB -0.373 32.120 32.500 -0.012 0.000 0.728 489 K HN 0.506 nan 8.250 nan 0.000 0.454 490 A N 0.157 122.955 122.820 -0.036 0.000 2.066 490 A HA -0.108 4.213 4.320 0.002 0.000 0.218 490 A C 1.173 178.577 177.584 -0.301 0.000 1.157 490 A CA 0.982 52.899 52.037 -0.201 0.000 0.670 490 A CB -0.315 18.491 19.000 -0.322 0.000 0.804 490 A HN 0.317 nan 8.150 nan 0.000 0.453 491 Y N -0.598 119.731 120.300 0.048 0.000 2.458 491 Y HA 0.251 4.802 4.550 0.002 0.000 0.256 491 Y C 0.616 176.528 175.900 0.020 0.000 1.159 491 Y CA 0.037 58.168 58.100 0.051 0.000 1.261 491 Y CB 0.141 38.651 38.460 0.083 0.000 1.119 491 Y HN 0.337 nan 8.280 nan 0.000 0.524 492 Q N 0.000 119.863 119.800 0.105 0.000 2.315 492 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 492 Q CA 0.000 55.834 55.803 0.052 0.000 1.022 492 Q CB 0.000 28.766 28.738 0.047 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481