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 2ba0_1_G DATA FIRST_RESID 3 DATA SEQUENCE EDILVDIKRD YVLSKLRDNE RIDGRGFDEF RKVEIIPNVI EKAEGSALVK DATA SEQUENCE LGDTQVVVGV KMQPGEPYPD TPDRGVIIVN AELVPLASPT FEPGPPDENS DATA SEQUENCE IELARVVDRG IRESEAVDLS KLVIEEGEKV WIVFVDIHAL DDDGNLLDAS DATA SEQUENCE ALAAIAALMN TKVPAERFDL GEDYLLPVRD LPVSVTSLIV GNKYLVDPSR DATA SEQUENCE EEMSVGDTTL TITTDKDDNV VAMQKSGGYL LDEKLFDELL DVSINCARKL DATA SEQUENCE REKFK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.605 176.600 0.009 0.000 1.382 3 E CA 0.000 56.406 56.400 0.009 0.000 0.976 3 E CB 0.000 29.707 29.700 0.012 0.000 0.812 4 D N 1.652 122.056 120.400 0.007 0.000 2.926 4 D HA 0.368 5.008 4.640 -0.000 0.000 0.272 4 D C -0.951 175.350 176.300 0.002 0.000 1.172 4 D CA -0.372 53.631 54.000 0.005 0.000 0.731 4 D CB 0.919 41.723 40.800 0.006 0.000 1.282 4 D HN 0.423 nan 8.370 nan 0.000 0.430 5 I N -0.331 120.239 120.570 -0.001 0.000 3.680 5 I HA 0.241 4.411 4.170 -0.000 0.000 0.261 5 I C 0.958 177.070 176.117 -0.008 0.000 1.121 5 I CA -0.199 61.098 61.300 -0.005 0.000 1.429 5 I CB 0.718 38.713 38.000 -0.008 0.000 1.719 5 I HN 0.299 nan 8.210 nan 0.000 0.413 6 L N -0.214 121.005 121.223 -0.007 0.000 3.689 6 L HA 0.187 4.527 4.340 -0.000 0.000 0.344 6 L C 1.590 178.460 176.870 -0.000 0.000 1.221 6 L CA -0.057 54.778 54.840 -0.009 0.000 1.171 6 L CB 1.156 43.205 42.059 -0.017 0.000 1.540 6 L HN -0.034 nan 8.230 nan 0.000 0.631 7 V N 0.371 120.287 119.914 0.004 0.000 2.219 7 V HA -0.315 3.804 4.120 -0.000 0.000 0.248 7 V C 2.038 178.143 176.094 0.018 0.000 1.053 7 V CA 2.506 64.812 62.300 0.011 0.000 1.009 7 V CB -0.340 31.490 31.823 0.011 0.000 0.636 7 V HN 0.386 nan 8.190 nan 0.000 0.445 8 D N -0.158 120.252 120.400 0.016 0.000 2.104 8 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 8 D C 2.029 178.346 176.300 0.029 0.000 0.994 8 D CA 1.446 55.458 54.000 0.021 0.000 0.830 8 D CB -0.316 40.494 40.800 0.016 0.000 0.959 8 D HN 0.440 nan 8.370 nan 0.000 0.452 9 I N 0.142 120.725 120.570 0.021 0.000 2.179 9 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 9 I C 2.242 178.390 176.117 0.052 0.000 1.088 9 I CA 1.051 62.365 61.300 0.023 0.000 1.357 9 I CB -0.146 37.851 38.000 -0.004 0.000 1.051 9 I HN -0.073 nan 8.210 nan 0.000 0.409 10 K N 1.058 121.485 120.400 0.045 0.000 2.148 10 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 10 K C 2.212 178.883 176.600 0.119 0.000 1.050 10 K CA 1.202 57.542 56.287 0.088 0.000 0.942 10 K CB -0.204 32.327 32.500 0.051 0.000 0.724 10 K HN 0.081 nan 8.250 nan 0.000 0.446 11 R N 0.284 120.826 120.500 0.070 0.000 2.075 11 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 11 R C 1.133 177.468 176.300 0.057 0.000 1.126 11 R CA 2.159 58.290 56.100 0.051 0.000 0.963 11 R CB -0.245 30.074 30.300 0.032 0.000 0.858 11 R HN 0.191 nan 8.270 nan 0.000 0.435 12 D N -0.837 119.604 120.400 0.070 0.000 2.117 12 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 12 D C 1.511 177.871 176.300 0.100 0.000 0.987 12 D CA 1.283 55.324 54.000 0.068 0.000 0.829 12 D CB -0.169 40.670 40.800 0.065 0.000 0.961 12 D HN 0.317 nan 8.370 nan 0.000 0.460 13 Y N 0.654 120.952 120.300 -0.005 0.000 2.163 13 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 13 Y C 2.117 178.014 175.900 -0.005 0.000 1.136 13 Y CA 1.013 59.109 58.100 -0.006 0.000 1.147 13 Y CB -0.135 38.320 38.460 -0.009 0.000 0.987 13 Y HN -0.183 nan 8.280 nan 0.000 0.509 14 V N 0.757 120.659 119.914 -0.021 0.000 2.343 14 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 14 V C 2.311 178.339 176.094 -0.111 0.000 1.051 14 V CA 2.059 64.290 62.300 -0.116 0.000 1.036 14 V CB -0.679 31.135 31.823 -0.015 0.000 0.654 14 V HN 0.461 nan 8.190 nan 0.000 0.451 15 L N -0.365 120.827 121.223 -0.052 0.000 2.109 15 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 15 L C 2.710 179.545 176.870 -0.058 0.000 1.086 15 L CA 1.566 56.382 54.840 -0.040 0.000 0.760 15 L CB -0.611 41.440 42.059 -0.014 0.000 0.910 15 L HN 0.389 nan 8.230 nan 0.000 0.437 16 S N 0.212 115.868 115.700 -0.072 0.000 2.353 16 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 16 S C 2.030 176.563 174.600 -0.113 0.000 1.035 16 S CA 1.521 59.678 58.200 -0.072 0.000 1.025 16 S CB -0.043 63.130 63.200 -0.045 0.000 0.902 16 S HN 0.317 nan 8.310 nan 0.000 0.440 17 K N 0.414 120.684 120.400 -0.216 0.000 2.288 17 K HA 0.103 4.423 4.320 -0.000 0.000 0.201 17 K C 2.087 178.634 176.600 -0.087 0.000 1.048 17 K CA 0.608 56.780 56.287 -0.191 0.000 0.956 17 K CB -0.261 32.042 32.500 -0.328 0.000 0.746 17 K HN 0.394 nan 8.250 nan 0.000 0.461 18 L N 0.836 122.020 121.223 -0.064 0.000 2.083 18 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 18 L C 2.265 179.135 176.870 -0.000 0.000 1.083 18 L CA 1.236 56.083 54.840 0.012 0.000 0.752 18 L CB -0.140 41.921 42.059 0.004 0.000 0.899 18 L HN 0.185 nan 8.230 nan 0.000 0.433 19 R N -0.275 120.210 120.500 -0.026 0.000 2.193 19 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 19 R C 0.754 177.042 176.300 -0.020 0.000 1.110 19 R CA 1.149 57.233 56.100 -0.027 0.000 0.988 19 R CB -0.145 30.140 30.300 -0.026 0.000 0.871 19 R HN 0.428 nan 8.270 nan 0.000 0.458 20 D N -0.454 119.939 120.400 -0.012 0.000 2.340 20 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 20 D C -0.351 175.966 176.300 0.028 0.000 1.081 20 D CA 0.026 54.024 54.000 -0.003 0.000 0.842 20 D CB 0.089 40.880 40.800 -0.014 0.000 0.934 20 D HN 0.002 nan 8.370 nan 0.000 0.511 21 N N 1.244 119.981 118.700 0.062 0.000 2.758 21 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 21 N C -1.026 174.671 175.510 0.311 0.000 1.076 21 N CA 0.774 53.935 53.050 0.186 0.000 0.696 21 N CB -0.806 37.725 38.487 0.073 0.000 0.979 21 N HN 0.396 nan 8.380 nan 0.000 0.550 22 E N -0.327 119.968 120.200 0.158 0.000 2.343 22 E HA 0.476 4.826 4.350 -0.000 0.000 0.270 22 E C -0.346 176.156 176.600 -0.164 0.000 0.895 22 E CA -0.904 55.468 56.400 -0.047 0.000 0.767 22 E CB 2.119 31.782 29.700 -0.062 0.000 1.248 22 E HN 0.095 nan 8.360 nan 0.000 0.440 23 R N 1.485 121.793 120.500 -0.321 0.000 2.474 23 R HA 0.325 4.665 4.340 -0.000 0.000 0.295 23 R C 1.545 177.730 176.300 -0.191 0.000 0.980 23 R CA -0.354 55.570 56.100 -0.294 0.000 0.934 23 R CB 0.997 31.053 30.300 -0.407 0.000 1.101 23 R HN 0.666 nan 8.270 nan 0.000 0.469 24 I N -0.749 119.727 120.570 -0.156 0.000 2.399 24 I HA -0.235 3.935 4.170 -0.000 0.000 0.254 24 I C 0.839 176.939 176.117 -0.027 0.000 1.146 24 I CA 1.637 62.884 61.300 -0.089 0.000 1.412 24 I CB -0.279 37.728 38.000 0.011 0.000 1.076 24 I HN 0.573 nan 8.210 nan 0.000 0.432 25 D N 0.749 121.114 120.400 -0.059 0.000 2.340 25 D HA 0.147 4.787 4.640 -0.000 0.000 0.217 25 D C 1.683 177.944 176.300 -0.065 0.000 1.081 25 D CA 0.463 54.436 54.000 -0.044 0.000 0.842 25 D CB 0.068 40.840 40.800 -0.046 0.000 0.934 25 D HN 0.523 nan 8.370 nan 0.000 0.511 26 G N 1.309 110.051 108.800 -0.096 0.000 2.189 26 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.267 26 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.267 26 G C 0.432 175.255 174.900 -0.129 0.000 0.975 26 G CA 0.441 45.479 45.100 -0.103 0.000 0.644 26 G HN 0.753 nan 8.290 nan 0.000 0.537 27 R N 0.443 120.853 120.500 -0.151 0.000 2.577 27 R HA 0.602 4.942 4.340 -0.000 0.000 0.269 27 R C 0.861 177.010 176.300 -0.252 0.000 1.084 27 R CA -0.176 55.834 56.100 -0.150 0.000 1.163 27 R CB 0.434 30.669 30.300 -0.109 0.000 1.100 27 R HN 0.469 nan 8.270 nan 0.000 0.547 28 G N 0.138 108.830 108.800 -0.180 0.000 2.569 28 G HA2 0.172 4.132 3.960 -0.000 0.000 0.249 28 G HA3 0.172 4.132 3.960 -0.000 0.000 0.249 28 G C -0.161 174.594 174.900 -0.242 0.000 1.216 28 G CA -0.958 44.022 45.100 -0.200 0.000 0.845 28 G HN 0.607 nan 8.290 nan 0.000 0.568 29 F N -0.166 119.765 119.950 -0.032 0.000 2.494 29 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 29 F C 1.938 177.785 175.800 0.078 0.000 1.106 29 F CA 1.177 59.157 58.000 -0.034 0.000 1.452 29 F CB 0.247 39.149 39.000 -0.163 0.000 1.085 29 F HN 0.461 nan 8.300 nan 0.000 0.569 30 D N -0.465 120.065 120.400 0.217 0.000 2.479 30 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 30 D C -0.010 176.380 176.300 0.150 0.000 1.177 30 D CA -0.127 54.002 54.000 0.215 0.000 0.830 30 D CB -0.813 40.115 40.800 0.214 0.000 1.014 30 D HN 0.497 nan 8.370 nan 0.000 0.503 31 E N 0.077 120.325 120.200 0.080 0.000 2.166 31 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 31 E C -0.973 175.666 176.600 0.065 0.000 0.941 31 E CA -0.908 55.550 56.400 0.096 0.000 0.784 31 E CB 1.183 30.915 29.700 0.053 0.000 1.115 31 E HN -0.176 nan 8.360 nan 0.000 0.399 32 F N 1.983 121.943 119.950 0.018 0.000 2.399 32 F HA 0.323 4.850 4.527 -0.000 0.000 0.313 32 F C 1.222 177.024 175.800 0.002 0.000 1.202 32 F CA -0.181 57.828 58.000 0.015 0.000 1.192 32 F CB 0.872 39.884 39.000 0.020 0.000 1.256 32 F HN 0.449 nan 8.300 nan 0.000 0.558 33 R N 0.577 121.188 120.500 0.185 0.000 2.546 33 R HA 0.244 4.584 4.340 -0.000 0.000 0.266 33 R C -0.462 175.920 176.300 0.136 0.000 1.086 33 R CA -0.939 55.225 56.100 0.105 0.000 1.160 33 R CB 0.403 30.738 30.300 0.057 0.000 1.138 33 R HN 0.432 nan 8.270 nan 0.000 0.567 34 K N 0.946 121.390 120.400 0.073 0.000 2.489 34 K HA 0.055 4.375 4.320 -0.000 0.000 0.278 34 K C -0.977 175.652 176.600 0.049 0.000 1.000 34 K CA 0.142 56.459 56.287 0.050 0.000 1.012 34 K CB 0.489 33.004 32.500 0.025 0.000 0.903 34 K HN 0.216 nan 8.250 nan 0.000 0.485 35 V N 4.329 124.255 119.914 0.020 0.000 2.495 35 V HA 0.274 4.394 4.120 -0.000 0.000 0.298 35 V C -0.747 175.323 176.094 -0.041 0.000 1.031 35 V CA -0.701 61.596 62.300 -0.005 0.000 0.871 35 V CB 1.727 33.527 31.823 -0.038 0.000 0.988 35 V HN 0.846 nan 8.190 nan 0.000 0.432 36 E N 4.775 124.951 120.200 -0.040 0.000 2.199 36 E HA 0.593 4.942 4.350 -0.000 0.000 0.265 36 E C -1.311 175.243 176.600 -0.076 0.000 0.882 36 E CA -0.539 55.828 56.400 -0.056 0.000 0.759 36 E CB 2.676 32.357 29.700 -0.031 0.000 1.148 36 E HN 0.530 nan 8.360 nan 0.000 0.412 37 I N 4.566 125.066 120.570 -0.117 0.000 2.382 37 I HA 0.385 4.554 4.170 -0.000 0.000 0.286 37 I C -0.493 175.569 176.117 -0.092 0.000 1.002 37 I CA -0.595 60.624 61.300 -0.134 0.000 1.135 37 I CB 1.010 38.842 38.000 -0.280 0.000 1.288 37 I HN 0.385 nan 8.210 nan 0.000 0.448 38 I N 8.617 129.157 120.570 -0.051 0.000 2.405 38 I HA 0.336 4.506 4.170 -0.000 0.000 0.280 38 I C -2.246 173.861 176.117 -0.017 0.000 1.027 38 I CA -1.728 59.552 61.300 -0.032 0.000 1.161 38 I CB 1.493 39.481 38.000 -0.020 0.000 1.300 38 I HN 0.278 nan 8.210 nan 0.000 0.463 39 P HA 0.258 nan 4.420 nan 0.000 0.279 39 P C -0.819 176.480 177.300 -0.001 0.000 1.276 39 P CA -0.430 62.670 63.100 -0.000 0.000 0.801 39 P CB 0.544 32.248 31.700 0.005 0.000 1.127 40 N N -1.378 117.323 118.700 0.002 0.000 2.641 40 N HA -0.140 4.600 4.740 -0.000 0.000 0.267 40 N C 0.607 176.114 175.510 -0.004 0.000 1.087 40 N CA 1.061 54.110 53.050 -0.002 0.000 0.731 40 N CB -1.934 36.550 38.487 -0.004 0.000 0.886 40 N HN 0.315 nan 8.380 nan 0.000 0.547 41 V N -3.561 116.352 119.914 -0.002 0.000 3.635 41 V HA 0.340 4.460 4.120 -0.000 0.000 0.266 41 V C 0.688 176.777 176.094 -0.008 0.000 1.316 41 V CA 0.426 62.724 62.300 -0.005 0.000 1.060 41 V CB 0.515 32.337 31.823 -0.002 0.000 0.820 41 V HN 0.269 nan 8.190 nan 0.000 0.447 42 I N 3.475 124.040 120.570 -0.008 0.000 2.620 42 I HA 0.308 4.478 4.170 -0.000 0.000 0.280 42 I C 1.662 177.772 176.117 -0.010 0.000 1.143 42 I CA -0.260 61.032 61.300 -0.012 0.000 1.163 42 I CB 0.764 38.754 38.000 -0.015 0.000 1.461 42 I HN 0.408 nan 8.210 nan 0.000 0.530 43 E N 4.480 124.674 120.200 -0.011 0.000 2.169 43 E HA -0.267 4.083 4.350 -0.000 0.000 0.202 43 E C 0.881 177.475 176.600 -0.010 0.000 1.016 43 E CA 1.506 57.900 56.400 -0.010 0.000 0.817 43 E CB -0.143 29.551 29.700 -0.010 0.000 0.736 43 E HN 0.487 nan 8.360 nan 0.000 0.462 44 K N 0.927 121.320 120.400 -0.011 0.000 2.589 44 K HA 0.159 4.479 4.320 -0.000 0.000 0.192 44 K C 0.400 176.999 176.600 -0.003 0.000 1.029 44 K CA 0.395 56.677 56.287 -0.009 0.000 1.031 44 K CB 0.152 32.645 32.500 -0.012 0.000 0.821 44 K HN 0.189 nan 8.250 nan 0.000 0.502 45 A N 0.395 123.213 122.820 -0.003 0.000 2.340 45 A HA 0.265 4.585 4.320 -0.000 0.000 0.331 45 A C 0.334 177.918 177.584 0.001 0.000 1.140 45 A CA -0.600 51.440 52.037 0.005 0.000 0.801 45 A CB 1.039 20.042 19.000 0.005 0.000 1.234 45 A HN 0.008 nan 8.150 nan 0.000 0.469 46 E N 0.703 120.907 120.200 0.005 0.000 2.153 46 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 46 E C 0.961 177.539 176.600 -0.036 0.000 0.988 46 E CA 1.795 58.182 56.400 -0.023 0.000 0.811 46 E CB 0.047 29.729 29.700 -0.031 0.000 0.746 46 E HN 0.815 nan 8.360 nan 0.000 0.466 47 G N -1.345 107.446 108.800 -0.016 0.000 2.690 47 G HA2 0.592 4.552 3.960 -0.000 0.000 0.293 47 G HA3 0.592 4.552 3.960 -0.000 0.000 0.293 47 G C -1.232 173.671 174.900 0.005 0.000 1.399 47 G CA -0.187 44.905 45.100 -0.013 0.000 0.890 47 G HN 0.166 nan 8.290 nan 0.000 0.485 48 S N -1.532 114.174 115.700 0.010 0.000 2.580 48 S HA 0.869 5.339 4.470 -0.000 0.000 0.281 48 S C -0.837 173.776 174.600 0.021 0.000 1.129 48 S CA -0.096 58.114 58.200 0.017 0.000 0.862 48 S CB 1.260 64.465 63.200 0.008 0.000 1.090 48 S HN 2.527 nan 8.310 nan 0.000 0.451 49 A N 1.035 123.872 122.820 0.029 0.000 2.577 49 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 49 A C -1.735 175.867 177.584 0.031 0.000 1.060 49 A CA -0.708 51.346 52.037 0.029 0.000 0.697 49 A CB 1.477 20.504 19.000 0.044 0.000 1.281 49 A HN 1.842 nan 8.150 nan 0.000 0.402 50 L N 2.064 123.299 121.223 0.020 0.000 2.346 50 L HA 0.882 5.222 4.340 -0.000 0.000 0.276 50 L C -1.300 175.578 176.870 0.015 0.000 1.006 50 L CA -0.412 54.442 54.840 0.023 0.000 0.817 50 L CB 2.000 44.069 42.059 0.016 0.000 1.272 50 L HN 0.556 nan 8.230 nan 0.000 0.421 51 V N 4.192 124.122 119.914 0.026 0.000 2.735 51 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 51 V C -0.598 175.512 176.094 0.026 0.000 1.061 51 V CA -0.818 61.491 62.300 0.016 0.000 0.913 51 V CB 2.045 33.885 31.823 0.029 0.000 1.005 51 V HN 0.690 nan 8.190 nan 0.000 0.428 52 K N 3.700 124.109 120.400 0.015 0.000 2.394 52 K HA 0.596 4.916 4.320 -0.000 0.000 0.260 52 K C -1.402 175.220 176.600 0.036 0.000 0.967 52 K CA -0.721 55.580 56.287 0.024 0.000 0.855 52 K CB 1.884 34.392 32.500 0.013 0.000 1.101 52 K HN 0.390 nan 8.250 nan 0.000 0.433 53 L N 3.628 124.885 121.223 0.056 0.000 2.356 53 L HA 0.404 4.744 4.340 -0.000 0.000 0.264 53 L C 0.389 177.298 176.870 0.065 0.000 1.029 53 L CA 0.694 55.586 54.840 0.086 0.000 0.897 53 L CB 0.242 42.377 42.059 0.126 0.000 1.256 53 L HN 0.913 nan 8.230 nan 0.000 0.444 54 G N 3.917 112.747 108.800 0.051 0.000 2.531 54 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.274 54 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.274 54 G C 0.394 175.307 174.900 0.022 0.000 1.159 54 G CA 0.326 45.445 45.100 0.031 0.000 0.969 54 G HN 0.474 nan 8.290 nan 0.000 0.554 55 D N 1.299 121.707 120.400 0.014 0.000 2.339 55 D HA 0.245 4.885 4.640 -0.000 0.000 0.217 55 D C 1.070 177.377 176.300 0.013 0.000 1.050 55 D CA 0.913 54.918 54.000 0.009 0.000 0.856 55 D CB 0.130 40.930 40.800 0.000 0.000 0.922 55 D HN 0.332 nan 8.370 nan 0.000 0.518 56 T N 1.321 115.889 114.554 0.023 0.000 2.869 56 T HA 0.327 4.677 4.350 -0.000 0.000 0.295 56 T C 0.169 174.894 174.700 0.042 0.000 0.987 56 T CA -0.184 61.935 62.100 0.033 0.000 1.109 56 T CB 1.333 70.228 68.868 0.045 0.000 0.932 56 T HN -0.041 nan 8.240 nan 0.000 0.518 57 Q N 1.319 121.147 119.800 0.047 0.000 2.359 57 Q HA 0.778 5.118 4.340 -0.000 0.000 0.274 57 Q C -1.506 174.536 176.000 0.071 0.000 1.074 57 Q CA -0.880 54.954 55.803 0.052 0.000 0.810 57 Q CB 3.183 31.947 28.738 0.042 0.000 1.342 57 Q HN 0.429 nan 8.270 nan 0.000 0.427 58 V N 1.375 121.333 119.914 0.073 0.000 3.048 58 V HA 0.701 4.821 4.120 -0.000 0.000 0.303 58 V C -1.661 174.483 176.094 0.083 0.000 1.214 58 V CA -0.620 61.734 62.300 0.090 0.000 0.984 58 V CB 2.526 34.404 31.823 0.091 0.000 1.054 58 V HN 0.611 nan 8.190 nan 0.000 0.430 59 V N 3.571 123.547 119.914 0.103 0.000 2.680 59 V HA 0.896 5.016 4.120 -0.000 0.000 0.309 59 V C -0.776 175.377 176.094 0.097 0.000 1.052 59 V CA -0.724 61.626 62.300 0.084 0.000 0.908 59 V CB 1.542 33.404 31.823 0.065 0.000 1.001 59 V HN 0.660 nan 8.190 nan 0.000 0.431 60 V N 2.497 122.455 119.914 0.074 0.000 2.588 60 V HA 0.889 5.009 4.120 -0.000 0.000 0.304 60 V C 0.618 176.747 176.094 0.058 0.000 1.042 60 V CA 0.048 62.394 62.300 0.076 0.000 0.877 60 V CB 1.878 33.745 31.823 0.074 0.000 0.996 60 V HN 1.261 nan 8.190 nan 0.000 0.425 61 G N 2.616 111.453 108.800 0.061 0.000 2.461 61 G HA2 0.641 4.601 3.960 -0.000 0.000 0.323 61 G HA3 0.641 4.601 3.960 -0.000 0.000 0.323 61 G C -1.256 173.681 174.900 0.061 0.000 1.229 61 G CA -0.538 44.589 45.100 0.046 0.000 0.941 61 G HN 0.557 nan 8.290 nan 0.000 0.477 62 V N 3.207 123.151 119.914 0.050 0.000 2.357 62 V HA 0.491 4.611 4.120 -0.000 0.000 0.284 62 V C -0.489 175.647 176.094 0.071 0.000 1.018 62 V CA -0.966 61.372 62.300 0.062 0.000 0.841 62 V CB 1.368 33.206 31.823 0.026 0.000 0.991 62 V HN 0.546 nan 8.190 nan 0.000 0.437 63 K N 5.350 125.831 120.400 0.136 0.000 2.259 63 K HA 0.756 5.076 4.320 -0.000 0.000 0.252 63 K C -0.925 175.822 176.600 0.246 0.000 0.936 63 K CA -0.551 55.831 56.287 0.158 0.000 0.810 63 K CB 2.558 35.134 32.500 0.126 0.000 1.143 63 K HN 0.589 nan 8.250 nan 0.000 0.427 64 M N 2.365 122.093 119.600 0.214 0.000 2.393 64 M HA 0.319 4.799 4.480 -0.000 0.000 0.299 64 M C -0.926 175.591 176.300 0.363 0.000 1.103 64 M CA -0.747 54.695 55.300 0.237 0.000 0.910 64 M CB 2.717 35.319 32.600 0.002 0.000 1.659 64 M HN 0.498 nan 8.290 nan 0.000 0.445 65 Q N 2.126 122.132 119.800 0.343 0.000 2.386 65 Q HA 0.621 4.961 4.340 -0.000 0.000 0.274 65 Q C -3.144 172.758 176.000 -0.163 0.000 1.011 65 Q CA -1.893 53.932 55.803 0.037 0.000 0.867 65 Q CB 2.682 31.501 28.738 0.136 0.000 1.409 65 Q HN 0.271 nan 8.270 nan 0.000 0.395 66 P HA 0.330 nan 4.420 nan 0.000 0.269 66 P C -0.309 176.778 177.300 -0.355 0.000 1.215 66 P CA 0.448 63.129 63.100 -0.698 0.000 0.780 66 P CB 1.153 32.274 31.700 -0.965 0.000 0.898 67 G N 0.704 109.335 108.800 -0.282 0.000 2.548 67 G HA2 0.402 4.362 3.960 -0.000 0.000 0.301 67 G HA3 0.402 4.362 3.960 -0.000 0.000 0.301 67 G C -1.444 173.353 174.900 -0.172 0.000 1.349 67 G CA -0.760 44.235 45.100 -0.175 0.000 0.792 67 G HN 0.595 nan 8.290 nan 0.000 0.481 68 E N 0.657 120.781 120.200 -0.128 0.000 2.301 68 E HA 0.538 4.888 4.350 -0.000 0.000 0.275 68 E C -2.296 174.205 176.600 -0.164 0.000 1.030 68 E CA -1.537 54.792 56.400 -0.119 0.000 0.852 68 E CB 1.990 31.649 29.700 -0.068 0.000 1.060 68 E HN 0.310 nan 8.360 nan 0.000 0.401 69 P HA 0.043 nan 4.420 nan 0.000 0.276 69 P C -0.868 176.348 177.300 -0.140 0.000 1.261 69 P CA -0.400 62.557 63.100 -0.238 0.000 0.800 69 P CB 0.494 32.106 31.700 -0.147 0.000 1.066 70 Y N 0.403 120.686 120.300 -0.028 0.000 2.397 70 Y HA 0.083 4.633 4.550 -0.000 0.000 0.335 70 Y C -0.511 175.378 175.900 -0.019 0.000 1.213 70 Y CA -1.928 56.158 58.100 -0.022 0.000 1.391 70 Y CB 0.060 38.507 38.460 -0.021 0.000 1.293 70 Y HN 0.341 nan 8.280 nan 0.000 0.557 71 P HA -0.077 nan 4.420 nan 0.000 0.250 71 P C -0.500 176.836 177.300 0.059 0.000 1.239 71 P CA 1.108 64.253 63.100 0.075 0.000 0.756 71 P CB 0.209 31.941 31.700 0.053 0.000 1.013 72 D N -1.556 118.894 120.400 0.082 0.000 2.498 72 D HA 0.019 4.659 4.640 -0.000 0.000 0.223 72 D C 0.457 176.791 176.300 0.057 0.000 1.125 72 D CA 0.726 54.758 54.000 0.054 0.000 0.835 72 D CB 0.367 41.190 40.800 0.038 0.000 1.086 72 D HN 0.127 nan 8.370 nan 0.000 0.510 73 T N -1.774 112.827 114.554 0.078 0.000 3.741 73 T HA 0.213 4.562 4.350 -0.000 0.000 0.242 73 T C -2.118 172.595 174.700 0.023 0.000 1.042 73 T CA -1.159 60.974 62.100 0.054 0.000 1.278 73 T CB 1.069 69.984 68.868 0.078 0.000 0.994 73 T HN -0.168 nan 8.240 nan 0.000 0.594 74 P HA -0.084 nan 4.420 nan 0.000 0.220 74 P C 0.330 177.620 177.300 -0.016 0.000 1.144 74 P CA 0.984 64.078 63.100 -0.010 0.000 0.800 74 P CB 0.149 31.846 31.700 -0.006 0.000 0.772 75 D N -0.702 119.695 120.400 -0.006 0.000 2.328 75 D HA 0.053 4.693 4.640 -0.000 0.000 0.226 75 D C 0.510 176.808 176.300 -0.004 0.000 1.066 75 D CA 0.413 54.410 54.000 -0.004 0.000 0.861 75 D CB 0.269 41.069 40.800 0.002 0.000 0.912 75 D HN 0.136 nan 8.370 nan 0.000 0.521 76 R N 0.357 120.850 120.500 -0.012 0.000 2.621 76 R HA 0.522 4.861 4.340 -0.000 0.000 0.292 76 R C 0.548 176.820 176.300 -0.046 0.000 0.969 76 R CA -0.801 55.290 56.100 -0.014 0.000 0.887 76 R CB 1.486 31.786 30.300 0.000 0.000 1.180 76 R HN -0.076 nan 8.270 nan 0.000 0.450 77 G N 0.347 109.132 108.800 -0.026 0.000 2.611 77 G HA2 0.390 4.350 3.960 -0.000 0.000 0.273 77 G HA3 0.390 4.350 3.960 -0.000 0.000 0.273 77 G C -0.766 174.072 174.900 -0.104 0.000 1.305 77 G CA -0.266 44.811 45.100 -0.039 0.000 1.010 77 G HN 0.258 nan 8.290 nan 0.000 0.509 78 V N 0.060 119.890 119.914 -0.140 0.000 2.656 78 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 78 V C -0.334 175.662 176.094 -0.164 0.000 1.051 78 V CA -0.495 61.681 62.300 -0.206 0.000 0.893 78 V CB 1.768 33.355 31.823 -0.394 0.000 0.999 78 V HN 0.561 nan 8.190 nan 0.000 0.426 79 I N 5.161 125.664 120.570 -0.111 0.000 2.418 79 I HA 0.526 4.695 4.170 -0.000 0.000 0.287 79 I C -0.898 175.172 176.117 -0.079 0.000 1.008 79 I CA -0.337 60.904 61.300 -0.097 0.000 1.104 79 I CB 1.858 39.833 38.000 -0.041 0.000 1.264 79 I HN 0.425 nan 8.210 nan 0.000 0.438 80 I N 6.891 127.382 120.570 -0.132 0.000 2.382 80 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 80 I C -0.563 175.578 176.117 0.040 0.000 1.002 80 I CA -0.828 60.442 61.300 -0.051 0.000 1.135 80 I CB 1.967 39.895 38.000 -0.120 0.000 1.288 80 I HN 0.178 nan 8.210 nan 0.000 0.448 81 V N 6.608 126.557 119.914 0.058 0.000 2.398 81 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 81 V C -0.122 176.020 176.094 0.080 0.000 1.026 81 V CA -0.535 61.808 62.300 0.073 0.000 0.868 81 V CB 1.677 33.530 31.823 0.050 0.000 0.982 81 V HN 0.746 nan 8.190 nan 0.000 0.443 82 N N 2.610 121.366 118.700 0.093 0.000 2.284 82 N HA 0.794 5.534 4.740 -0.000 0.000 0.289 82 N C -1.318 174.226 175.510 0.056 0.000 1.179 82 N CA -0.250 52.845 53.050 0.074 0.000 0.774 82 N CB 2.811 41.356 38.487 0.097 0.000 1.548 82 N HN 0.766 nan 8.380 nan 0.000 0.473 83 A N 1.588 124.421 122.820 0.022 0.000 2.435 83 A HA 0.569 4.889 4.320 -0.000 0.000 0.304 83 A C -1.178 176.373 177.584 -0.054 0.000 1.064 83 A CA -0.589 51.446 52.037 -0.004 0.000 0.727 83 A CB 1.296 20.288 19.000 -0.014 0.000 1.284 83 A HN 0.654 nan 8.150 nan 0.000 0.415 84 E N 1.575 121.714 120.200 -0.102 0.000 2.182 84 E HA 0.342 4.692 4.350 -0.000 0.000 0.258 84 E C -1.375 175.067 176.600 -0.263 0.000 0.879 84 E CA -0.666 55.620 56.400 -0.190 0.000 0.754 84 E CB 1.594 31.158 29.700 -0.228 0.000 1.162 84 E HN 0.383 nan 8.360 nan 0.000 0.419 85 L N 4.309 125.359 121.223 -0.289 0.000 2.648 85 L HA 0.067 4.407 4.340 -0.000 0.000 0.238 85 L C 0.131 176.873 176.870 -0.214 0.000 1.316 85 L CA -0.239 54.360 54.840 -0.401 0.000 1.241 85 L CB -0.192 41.277 42.059 -0.985 0.000 1.499 85 L HN 0.362 nan 8.230 nan 0.000 0.411 86 V N 0.219 120.087 119.914 -0.077 0.000 2.975 86 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 86 V C -0.941 175.309 176.094 0.260 0.000 1.186 86 V CA -0.746 61.573 62.300 0.032 0.000 1.311 86 V CB -0.170 31.633 31.823 -0.033 0.000 0.917 86 V HN 0.488 nan 8.190 nan 0.000 0.512 87 P HA -0.111 nan 4.420 nan 0.000 0.231 87 P C 1.308 178.672 177.300 0.107 0.000 1.158 87 P CA 1.254 64.468 63.100 0.190 0.000 0.763 87 P CB 0.044 31.813 31.700 0.114 0.000 0.805 88 L N -2.923 118.361 121.223 0.101 0.000 2.341 88 L HA 0.307 4.647 4.340 -0.000 0.000 0.214 88 L C 2.298 179.183 176.870 0.025 0.000 1.115 88 L CA 1.485 56.361 54.840 0.059 0.000 0.820 88 L CB -1.492 40.614 42.059 0.079 0.000 0.944 88 L HN -0.200 nan 8.230 nan 0.000 0.452 89 A N 0.075 122.924 122.820 0.047 0.000 1.968 89 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 89 A C 1.188 178.600 177.584 -0.286 0.000 1.169 89 A CA 0.946 52.958 52.037 -0.042 0.000 0.638 89 A CB -0.534 18.546 19.000 0.133 0.000 0.812 89 A HN 0.684 nan 8.150 nan 0.000 0.446 90 S N -3.412 112.026 115.700 -0.437 0.000 2.552 90 S HA 0.465 4.934 4.470 -0.000 0.000 0.272 90 S C -2.651 171.777 174.600 -0.286 0.000 1.150 90 S CA -0.444 57.468 58.200 -0.481 0.000 0.849 90 S CB 1.405 64.088 63.200 -0.862 0.000 1.113 90 S HN -0.024 nan 8.310 nan 0.000 0.458 91 P HA -0.003 nan 4.420 nan 0.000 0.225 91 P C 0.999 178.280 177.300 -0.032 0.000 1.148 91 P CA 1.095 64.152 63.100 -0.072 0.000 0.779 91 P CB -0.293 31.372 31.700 -0.058 0.000 0.780 92 T N -0.914 113.604 114.554 -0.060 0.000 3.054 92 T HA 0.090 4.440 4.350 -0.000 0.000 0.259 92 T C 0.675 175.516 174.700 0.235 0.000 1.092 92 T CA -0.001 62.133 62.100 0.056 0.000 1.121 92 T CB -0.420 68.478 68.868 0.051 0.000 0.912 92 T HN 0.096 nan 8.240 nan 0.000 0.489 93 F N 2.967 122.916 119.950 -0.002 0.000 2.519 93 F HA 0.125 4.652 4.527 -0.000 0.000 0.375 93 F C 0.995 176.792 175.800 -0.005 0.000 1.084 93 F CA -0.801 57.196 58.000 -0.006 0.000 1.147 93 F CB 0.272 39.264 39.000 -0.013 0.000 1.088 93 F HN 0.120 nan 8.300 nan 0.000 0.555 94 E N 7.059 127.354 120.200 0.157 0.000 2.338 94 E HA 0.113 4.462 4.350 -0.000 0.000 0.272 94 E C -2.159 174.471 176.600 0.050 0.000 1.029 94 E CA -1.880 54.567 56.400 0.078 0.000 0.872 94 E CB 0.810 30.536 29.700 0.045 0.000 1.015 94 E HN 0.232 nan 8.360 nan 0.000 0.417 95 P HA 0.254 nan 4.420 nan 0.000 0.280 95 P C -0.412 176.898 177.300 0.017 0.000 1.386 95 P CA -0.056 63.064 63.100 0.032 0.000 0.899 95 P CB 0.960 32.682 31.700 0.036 0.000 1.098 96 G N 4.317 113.120 108.800 0.006 0.000 2.392 96 G HA2 0.296 4.256 3.960 -0.000 0.000 0.260 96 G HA3 0.296 4.256 3.960 -0.000 0.000 0.260 96 G C -2.978 171.916 174.900 -0.009 0.000 1.226 96 G CA -0.717 44.383 45.100 0.001 0.000 0.913 96 G HN 0.439 nan 8.290 nan 0.000 0.483 97 P HA 0.384 nan 4.420 nan 0.000 0.272 97 P C -2.479 174.804 177.300 -0.030 0.000 1.240 97 P CA -0.682 62.410 63.100 -0.014 0.000 0.791 97 P CB -0.098 31.598 31.700 -0.007 0.000 0.978 98 P HA 0.043 nan 4.420 nan 0.000 0.267 98 P C -0.373 176.897 177.300 -0.050 0.000 1.205 98 P CA 0.134 63.202 63.100 -0.052 0.000 0.765 98 P CB 0.438 32.115 31.700 -0.039 0.000 0.828 99 D N 1.214 121.570 120.400 -0.073 0.000 2.425 99 D HA 0.070 4.709 4.640 -0.000 0.000 0.274 99 D C 1.085 177.357 176.300 -0.047 0.000 1.242 99 D CA -0.432 53.533 54.000 -0.058 0.000 1.060 99 D CB 0.290 41.045 40.800 -0.075 0.000 1.112 99 D HN 0.339 nan 8.370 nan 0.000 0.561 100 E N -1.044 119.135 120.200 -0.034 0.000 2.107 100 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 100 E C 1.629 178.213 176.600 -0.027 0.000 0.982 100 E CA 0.519 56.906 56.400 -0.021 0.000 0.809 100 E CB -0.089 29.606 29.700 -0.008 0.000 0.756 100 E HN 0.330 nan 8.360 nan 0.000 0.459 101 N N 0.412 119.087 118.700 -0.043 0.000 2.188 101 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 101 N C 1.910 177.376 175.510 -0.074 0.000 1.018 101 N CA 0.769 53.789 53.050 -0.049 0.000 0.858 101 N CB -0.217 38.234 38.487 -0.060 0.000 0.989 101 N HN -0.030 nan 8.380 nan 0.000 0.426 102 S N 1.004 116.636 115.700 -0.113 0.000 2.355 102 S HA 0.073 4.543 4.470 -0.000 0.000 0.222 102 S C 2.055 176.620 174.600 -0.058 0.000 1.031 102 S CA 0.479 58.609 58.200 -0.118 0.000 0.993 102 S CB -0.097 63.017 63.200 -0.144 0.000 0.859 102 S HN 0.183 nan 8.310 nan 0.000 0.453 103 I N 1.041 121.586 120.570 -0.042 0.000 2.286 103 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 103 I C 2.604 178.717 176.117 -0.007 0.000 1.115 103 I CA 1.542 62.831 61.300 -0.018 0.000 1.392 103 I CB -0.362 37.630 38.000 -0.014 0.000 1.065 103 I HN 0.466 nan 8.210 nan 0.000 0.418 104 E N 1.338 121.534 120.200 -0.008 0.000 2.152 104 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 104 E C 2.352 178.960 176.600 0.012 0.000 0.983 104 E CA 0.655 57.059 56.400 0.005 0.000 0.818 104 E CB 0.052 29.758 29.700 0.010 0.000 0.758 104 E HN 0.463 nan 8.360 nan 0.000 0.467 105 L N 0.114 121.340 121.223 0.005 0.000 2.093 105 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 105 L C 2.330 179.212 176.870 0.021 0.000 1.085 105 L CA 1.410 56.260 54.840 0.016 0.000 0.755 105 L CB -0.232 41.831 42.059 0.007 0.000 0.904 105 L HN 0.224 nan 8.230 nan 0.000 0.435 106 A N -0.068 122.759 122.820 0.013 0.000 1.897 106 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 106 A C 2.305 179.904 177.584 0.025 0.000 1.181 106 A CA 1.205 53.255 52.037 0.022 0.000 0.620 106 A CB -0.452 18.560 19.000 0.020 0.000 0.821 106 A HN 0.427 nan 8.150 nan 0.000 0.443 107 R N -0.466 120.046 120.500 0.020 0.000 2.081 107 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 107 R C 2.038 178.352 176.300 0.023 0.000 1.131 107 R CA 1.527 57.639 56.100 0.020 0.000 0.960 107 R CB -0.637 29.671 30.300 0.015 0.000 0.856 107 R HN 0.412 nan 8.270 nan 0.000 0.436 108 V N 0.612 120.543 119.914 0.027 0.000 2.307 108 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 108 V C 2.435 178.548 176.094 0.032 0.000 1.045 108 V CA 1.565 63.884 62.300 0.032 0.000 1.024 108 V CB -0.392 31.455 31.823 0.040 0.000 0.651 108 V HN 0.100 nan 8.190 nan 0.000 0.449 109 V N 0.749 120.683 119.914 0.034 0.000 2.392 109 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 109 V C 2.271 178.381 176.094 0.026 0.000 1.059 109 V CA 2.551 64.871 62.300 0.034 0.000 1.051 109 V CB -0.743 31.104 31.823 0.040 0.000 0.658 109 V HN 0.707 nan 8.190 nan 0.000 0.455 110 D N -0.507 119.908 120.400 0.026 0.000 2.224 110 D HA -0.138 4.501 4.640 -0.000 0.000 0.205 110 D C 2.326 178.636 176.300 0.017 0.000 0.965 110 D CA 1.006 55.019 54.000 0.022 0.000 0.852 110 D CB -0.001 40.814 40.800 0.024 0.000 0.947 110 D HN 0.346 nan 8.370 nan 0.000 0.494 111 R N -0.637 119.873 120.500 0.017 0.000 2.093 111 R HA 0.131 4.471 4.340 -0.000 0.000 0.224 111 R C 2.426 178.732 176.300 0.010 0.000 1.101 111 R CA 1.085 57.193 56.100 0.014 0.000 0.979 111 R CB -0.245 30.065 30.300 0.017 0.000 0.877 111 R HN 0.176 nan 8.270 nan 0.000 0.441 112 G N 0.791 109.598 108.800 0.010 0.000 2.403 112 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 112 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 112 G C 1.409 176.303 174.900 -0.009 0.000 1.154 112 G CA 0.408 45.508 45.100 0.002 0.000 0.784 112 G HN 0.127 nan 8.290 nan 0.000 0.538 113 I N -0.128 120.438 120.570 -0.007 0.000 2.233 113 I HA -0.065 4.104 4.170 -0.000 0.000 0.243 113 I C 2.800 178.910 176.117 -0.011 0.000 1.093 113 I CA 1.067 62.358 61.300 -0.015 0.000 1.380 113 I CB -0.181 37.813 38.000 -0.009 0.000 1.067 113 I HN 0.102 nan 8.210 nan 0.000 0.413 114 R N 0.905 121.403 120.500 -0.002 0.000 2.062 114 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 114 R C 2.168 178.468 176.300 0.000 0.000 1.136 114 R CA 1.401 57.502 56.100 0.002 0.000 0.948 114 R CB -0.015 30.290 30.300 0.009 0.000 0.845 114 R HN 0.184 nan 8.270 nan 0.000 0.430 115 E N 0.367 120.568 120.200 0.001 0.000 2.204 115 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 115 E C 1.770 178.368 176.600 -0.004 0.000 0.989 115 E CA 1.440 57.840 56.400 0.001 0.000 0.824 115 E CB 0.070 29.772 29.700 0.004 0.000 0.756 115 E HN 0.464 nan 8.360 nan 0.000 0.477 116 S N -0.125 115.568 115.700 -0.011 0.000 2.593 116 S HA 0.017 4.487 4.470 -0.000 0.000 0.217 116 S C 0.377 174.966 174.600 -0.019 0.000 0.966 116 S CA -0.028 58.161 58.200 -0.018 0.000 0.914 116 S CB -0.127 63.055 63.200 -0.029 0.000 0.776 116 S HN 0.163 nan 8.310 nan 0.000 0.523 117 E N 0.335 120.527 120.200 -0.014 0.000 2.269 117 E HA -0.257 4.093 4.350 -0.000 0.000 0.223 117 E C 0.979 177.567 176.600 -0.020 0.000 1.244 117 E CA 0.244 56.636 56.400 -0.013 0.000 0.713 117 E CB -1.675 28.020 29.700 -0.008 0.000 1.178 117 E HN 0.738 nan 8.360 nan 0.000 0.370 118 A N -0.184 122.619 122.820 -0.028 0.000 2.019 118 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 118 A C 1.036 178.602 177.584 -0.031 0.000 1.164 118 A CA 1.029 53.043 52.037 -0.039 0.000 0.644 118 A CB 0.605 19.573 19.000 -0.054 0.000 0.805 118 A HN 0.142 nan 8.150 nan 0.000 0.449 119 V N 1.224 121.125 119.914 -0.023 0.000 2.407 119 V HA 0.216 4.336 4.120 -0.000 0.000 0.291 119 V C -0.962 175.128 176.094 -0.007 0.000 1.018 119 V CA -0.904 61.386 62.300 -0.018 0.000 0.842 119 V CB 1.513 33.322 31.823 -0.024 0.000 0.996 119 V HN 0.343 nan 8.190 nan 0.000 0.426 120 D N 4.388 124.789 120.400 0.001 0.000 2.367 120 D HA 0.131 4.771 4.640 -0.000 0.000 0.255 120 D C 1.101 177.411 176.300 0.017 0.000 1.300 120 D CA 0.185 54.190 54.000 0.009 0.000 0.959 120 D CB 0.818 41.626 40.800 0.013 0.000 1.064 120 D HN 0.486 nan 8.370 nan 0.000 0.509 121 L N 2.499 123.730 121.223 0.013 0.000 2.362 121 L HA -0.146 4.193 4.340 -0.000 0.000 0.219 121 L C 2.298 179.184 176.870 0.026 0.000 1.134 121 L CA 0.818 55.668 54.840 0.017 0.000 0.807 121 L CB -0.436 41.626 42.059 0.005 0.000 0.927 121 L HN 0.367 nan 8.230 nan 0.000 0.447 122 S N -0.821 114.892 115.700 0.023 0.000 2.428 122 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 122 S C 1.778 176.400 174.600 0.037 0.000 1.014 122 S CA 0.478 58.691 58.200 0.023 0.000 0.957 122 S CB -0.191 63.017 63.200 0.015 0.000 0.784 122 S HN 0.335 nan 8.310 nan 0.000 0.499 123 K N 0.592 121.019 120.400 0.046 0.000 2.551 123 K HA 0.286 4.606 4.320 -0.000 0.000 0.192 123 K C 0.204 176.878 176.600 0.123 0.000 1.027 123 K CA 0.180 56.506 56.287 0.064 0.000 1.059 123 K CB -0.166 32.367 32.500 0.055 0.000 0.831 123 K HN 0.437 nan 8.250 nan 0.000 0.508 124 L N 0.784 122.088 121.223 0.136 0.000 3.202 124 L HA 0.195 4.535 4.340 -0.000 0.000 0.278 124 L C -0.573 176.422 176.870 0.208 0.000 1.268 124 L CA -0.378 54.617 54.840 0.257 0.000 1.034 124 L CB 1.255 43.443 42.059 0.216 0.000 1.407 124 L HN -0.196 nan 8.230 nan 0.000 0.581 125 V N 0.526 120.503 119.914 0.106 0.000 2.567 125 V HA 0.261 4.381 4.120 -0.000 0.000 0.289 125 V C 0.978 177.070 176.094 -0.003 0.000 1.049 125 V CA 0.050 62.363 62.300 0.022 0.000 0.969 125 V CB 2.440 34.266 31.823 0.005 0.000 0.995 125 V HN 0.222 nan 8.190 nan 0.000 0.471 126 I N 1.528 122.048 120.570 -0.084 0.000 3.971 126 I HA 0.306 4.476 4.170 -0.000 0.000 0.303 126 I C 0.247 176.315 176.117 -0.082 0.000 1.233 126 I CA 0.391 61.626 61.300 -0.108 0.000 1.346 126 I CB 0.662 38.516 38.000 -0.244 0.000 1.273 126 I HN 0.536 nan 8.210 nan 0.000 0.448 127 E N 0.482 120.630 120.200 -0.086 0.000 2.361 127 E HA 0.165 4.515 4.350 -0.000 0.000 0.270 127 E C 0.187 176.755 176.600 -0.054 0.000 0.911 127 E CA -0.177 56.185 56.400 -0.064 0.000 0.818 127 E CB 1.223 30.881 29.700 -0.071 0.000 1.332 127 E HN 0.079 nan 8.360 nan 0.000 0.402 128 E N 2.637 122.815 120.200 -0.037 0.000 2.755 128 E HA -0.295 4.055 4.350 -0.000 0.000 0.241 128 E C 0.911 177.492 176.600 -0.033 0.000 0.977 128 E CA 2.676 59.059 56.400 -0.029 0.000 1.398 128 E CB -0.363 29.325 29.700 -0.020 0.000 1.343 128 E HN 0.576 nan 8.360 nan 0.000 0.482 129 G N -1.329 107.452 108.800 -0.032 0.000 3.993 129 G HA2 0.256 4.216 3.960 -0.000 0.000 0.294 129 G HA3 0.256 4.216 3.960 -0.000 0.000 0.294 129 G C 0.605 175.480 174.900 -0.040 0.000 1.043 129 G CA 0.337 45.418 45.100 -0.031 0.000 0.839 129 G HN 0.309 nan 8.290 nan 0.000 0.516 130 E N 0.010 120.176 120.200 -0.056 0.000 2.520 130 E HA 0.263 4.613 4.350 -0.000 0.000 0.201 130 E C 0.105 176.647 176.600 -0.097 0.000 0.894 130 E CA 0.181 56.541 56.400 -0.065 0.000 1.161 130 E CB 0.650 30.314 29.700 -0.059 0.000 1.137 130 E HN 0.082 nan 8.360 nan 0.000 0.510 131 K N 1.127 121.453 120.400 -0.122 0.000 2.427 131 K HA 0.441 4.761 4.320 -0.000 0.000 0.252 131 K C -1.226 175.248 176.600 -0.209 0.000 0.931 131 K CA -0.726 55.451 56.287 -0.184 0.000 0.793 131 K CB 2.943 35.309 32.500 -0.223 0.000 1.211 131 K HN 0.098 nan 8.250 nan 0.000 0.426 132 V N -1.735 118.032 119.914 -0.246 0.000 3.188 132 V HA 0.569 4.689 4.120 -0.000 0.000 0.305 132 V C -1.390 174.557 176.094 -0.245 0.000 1.232 132 V CA -1.331 60.844 62.300 -0.209 0.000 1.043 132 V CB 1.100 32.853 31.823 -0.117 0.000 1.068 132 V HN 0.782 nan 8.190 nan 0.000 0.439 133 W N 1.078 122.306 121.300 -0.121 0.000 2.170 133 W HA 0.694 5.354 4.660 -0.000 0.000 0.336 133 W C 0.022 176.434 176.519 -0.177 0.000 1.283 133 W CA -0.199 57.062 57.345 -0.140 0.000 1.224 133 W CB 0.799 30.203 29.460 -0.093 0.000 1.132 133 W HN 0.481 nan 8.180 nan 0.000 0.571 134 I N 3.664 124.304 120.570 0.118 0.000 2.382 134 I HA 0.186 4.356 4.170 -0.000 0.000 0.286 134 I C -0.715 175.330 176.117 -0.120 0.000 1.002 134 I CA -0.961 60.265 61.300 -0.123 0.000 1.135 134 I CB 1.007 38.871 38.000 -0.227 0.000 1.288 134 I HN -0.071 nan 8.210 nan 0.000 0.448 135 V N 7.133 126.937 119.914 -0.184 0.000 2.333 135 V HA 0.317 4.437 4.120 -0.000 0.000 0.274 135 V C -0.350 175.643 176.094 -0.167 0.000 1.028 135 V CA -0.374 61.862 62.300 -0.106 0.000 0.851 135 V CB 0.634 32.415 31.823 -0.070 0.000 1.000 135 V HN 0.375 nan 8.190 nan 0.000 0.456 136 F N 3.802 123.768 119.950 0.025 0.000 2.391 136 F HA 0.487 5.014 4.527 -0.000 0.000 0.359 136 F C 0.235 176.051 175.800 0.026 0.000 1.122 136 F CA -0.578 57.441 58.000 0.031 0.000 1.120 136 F CB 1.659 40.682 39.000 0.038 0.000 1.142 136 F HN 0.189 nan 8.300 nan 0.000 0.483 137 V N 3.997 124.026 119.914 0.190 0.000 2.313 137 V HA 0.224 4.344 4.120 -0.000 0.000 0.278 137 V C -0.526 175.647 176.094 0.133 0.000 1.017 137 V CA -0.773 61.602 62.300 0.125 0.000 0.823 137 V CB 0.951 32.818 31.823 0.074 0.000 1.010 137 V HN 0.604 nan 8.190 nan 0.000 0.443 138 D N 5.754 126.230 120.400 0.126 0.000 2.349 138 D HA 0.448 5.088 4.640 -0.000 0.000 0.232 138 D C -0.225 176.143 176.300 0.113 0.000 1.071 138 D CA -0.145 53.925 54.000 0.117 0.000 0.832 138 D CB 2.483 43.348 40.800 0.107 0.000 1.086 138 D HN 0.363 nan 8.370 nan 0.000 0.504 139 I N 2.175 122.806 120.570 0.102 0.000 2.365 139 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 139 I C 0.372 176.562 176.117 0.122 0.000 1.004 139 I CA -0.303 61.058 61.300 0.101 0.000 1.311 139 I CB 1.054 39.094 38.000 0.067 0.000 1.401 139 I HN 0.232 nan 8.210 nan 0.000 0.491 140 H N 5.950 125.047 119.070 0.045 0.000 2.970 140 H HA 0.481 5.037 4.556 -0.000 0.000 0.315 140 H C -0.775 174.592 175.328 0.065 0.000 0.992 140 H CA -0.646 55.430 56.048 0.047 0.000 1.363 140 H CB 1.679 31.464 29.762 0.039 0.000 1.532 140 H HN 0.750 nan 8.280 nan 0.000 0.514 141 A N 5.390 128.203 122.820 -0.010 0.000 2.488 141 A HA 0.207 4.527 4.320 -0.000 0.000 0.249 141 A C 0.677 178.342 177.584 0.136 0.000 1.083 141 A CA -0.185 51.910 52.037 0.096 0.000 0.768 141 A CB 0.295 19.394 19.000 0.165 0.000 1.017 141 A HN 0.848 nan 8.150 nan 0.000 0.496 142 L N 0.645 121.949 121.223 0.135 0.000 2.445 142 L HA 0.269 4.609 4.340 -0.000 0.000 0.207 142 L C -0.040 176.872 176.870 0.069 0.000 1.053 142 L CA 0.351 55.262 54.840 0.120 0.000 0.841 142 L CB 0.283 42.405 42.059 0.105 0.000 1.074 142 L HN 0.606 nan 8.230 nan 0.000 0.479 143 D N -0.040 120.391 120.400 0.053 0.000 2.763 143 D HA 0.158 4.797 4.640 -0.000 0.000 0.235 143 D C -1.545 174.758 176.300 0.004 0.000 1.334 143 D CA -0.337 53.669 54.000 0.010 0.000 0.950 143 D CB 1.857 42.663 40.800 0.010 0.000 1.433 143 D HN -0.141 nan 8.370 nan 0.000 0.580 144 D N 2.228 122.594 120.400 -0.056 0.000 2.456 144 D HA 0.191 4.831 4.640 -0.000 0.000 0.219 144 D C -0.324 175.941 176.300 -0.059 0.000 1.126 144 D CA -0.232 53.735 54.000 -0.054 0.000 0.890 144 D CB 0.805 41.497 40.800 -0.180 0.000 1.025 144 D HN 0.136 nan 8.370 nan 0.000 0.511 145 D N 2.602 122.992 120.400 -0.016 0.000 2.571 145 D HA 0.340 4.980 4.640 -0.000 0.000 0.239 145 D C -0.033 176.265 176.300 -0.003 0.000 1.267 145 D CA -0.055 53.935 54.000 -0.017 0.000 0.823 145 D CB -0.039 40.755 40.800 -0.010 0.000 1.056 145 D HN 0.574 nan 8.370 nan 0.000 0.494 146 G N 1.299 110.106 108.800 0.011 0.000 2.885 146 G HA2 0.011 3.971 3.960 -0.000 0.000 0.685 146 G HA3 0.011 3.971 3.960 -0.000 0.000 0.685 146 G C -0.223 174.699 174.900 0.035 0.000 1.216 146 G CA -0.563 44.547 45.100 0.018 0.000 0.790 146 G HN 0.221 nan 8.290 nan 0.000 0.631 147 N N -0.636 118.089 118.700 0.043 0.000 2.708 147 N HA -0.157 4.583 4.740 -0.000 0.000 0.255 147 N C 1.388 176.951 175.510 0.088 0.000 1.046 147 N CA 1.223 54.309 53.050 0.059 0.000 0.715 147 N CB -1.049 37.462 38.487 0.041 0.000 0.895 147 N HN 0.836 nan 8.380 nan 0.000 0.545 148 L N -0.294 120.987 121.223 0.096 0.000 2.201 148 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 148 L C 2.270 179.199 176.870 0.097 0.000 1.105 148 L CA 0.627 55.529 54.840 0.104 0.000 0.775 148 L CB -0.228 41.907 42.059 0.127 0.000 0.913 148 L HN 0.394 nan 8.230 nan 0.000 0.440 149 L N 0.169 121.447 121.223 0.092 0.000 1.971 149 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 149 L C 2.078 179.010 176.870 0.103 0.000 1.072 149 L CA 2.052 56.944 54.840 0.087 0.000 0.758 149 L CB -0.843 41.265 42.059 0.081 0.000 0.889 149 L HN 0.232 nan 8.230 nan 0.000 0.433 150 D N -0.229 120.250 120.400 0.132 0.000 2.117 150 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 150 D C 2.177 178.564 176.300 0.145 0.000 0.987 150 D CA 1.576 55.676 54.000 0.165 0.000 0.829 150 D CB -0.270 40.700 40.800 0.282 0.000 0.961 150 D HN 0.508 nan 8.370 nan 0.000 0.460 151 A N 0.545 123.449 122.820 0.139 0.000 1.940 151 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 151 A C 2.446 180.090 177.584 0.100 0.000 1.176 151 A CA 1.829 53.935 52.037 0.115 0.000 0.631 151 A CB -0.457 18.606 19.000 0.104 0.000 0.814 151 A HN 0.156 nan 8.150 nan 0.000 0.446 152 S N -0.432 115.326 115.700 0.096 0.000 2.371 152 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 152 S C 2.332 176.983 174.600 0.085 0.000 1.029 152 S CA 0.971 59.222 58.200 0.085 0.000 0.978 152 S CB -0.402 62.843 63.200 0.075 0.000 0.833 152 S HN 0.790 nan 8.310 nan 0.000 0.466 153 A N 1.612 124.483 122.820 0.086 0.000 1.877 153 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 153 A C 2.120 179.762 177.584 0.096 0.000 1.186 153 A CA 1.170 53.253 52.037 0.076 0.000 0.620 153 A CB -0.814 18.227 19.000 0.070 0.000 0.822 153 A HN 0.433 nan 8.150 nan 0.000 0.443 154 L N -0.832 120.470 121.223 0.131 0.000 2.046 154 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 154 L C 3.113 180.123 176.870 0.234 0.000 1.077 154 L CA 1.143 56.121 54.840 0.230 0.000 0.747 154 L CB -0.497 41.673 42.059 0.184 0.000 0.896 154 L HN 0.461 nan 8.230 nan 0.000 0.432 155 A N -0.251 122.653 122.820 0.140 0.000 1.930 155 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 155 A C 2.504 180.152 177.584 0.107 0.000 1.175 155 A CA 1.624 53.728 52.037 0.112 0.000 0.627 155 A CB -0.644 18.407 19.000 0.085 0.000 0.815 155 A HN 0.414 nan 8.150 nan 0.000 0.443 156 A N -0.306 122.569 122.820 0.093 0.000 1.877 156 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 156 A C 2.090 179.710 177.584 0.059 0.000 1.186 156 A CA 1.743 53.821 52.037 0.068 0.000 0.620 156 A CB -0.566 18.467 19.000 0.055 0.000 0.822 156 A HN 0.603 nan 8.150 nan 0.000 0.443 157 I N -0.383 120.221 120.570 0.057 0.000 2.546 157 I HA -0.058 4.112 4.170 -0.000 0.000 0.255 157 I C 2.433 178.593 176.117 0.070 0.000 1.163 157 I CA 1.138 62.438 61.300 0.001 0.000 1.457 157 I CB -0.273 37.652 38.000 -0.126 0.000 1.092 157 I HN 0.263 nan 8.210 nan 0.000 0.434 158 A N 0.179 123.136 122.820 0.229 0.000 1.968 158 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 158 A C 2.449 180.116 177.584 0.138 0.000 1.169 158 A CA 1.361 53.588 52.037 0.315 0.000 0.638 158 A CB -0.980 18.201 19.000 0.301 0.000 0.812 158 A HN 0.475 nan 8.150 nan 0.000 0.446 159 A N -0.198 122.677 122.820 0.092 0.000 1.897 159 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 159 A C 2.127 179.726 177.584 0.026 0.000 1.181 159 A CA 1.229 53.296 52.037 0.051 0.000 0.620 159 A CB -0.525 18.504 19.000 0.048 0.000 0.821 159 A HN 0.435 nan 8.150 nan 0.000 0.443 160 L N -1.153 120.081 121.223 0.019 0.000 2.017 160 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 160 L C 2.732 179.592 176.870 -0.016 0.000 1.073 160 L CA 1.619 56.452 54.840 -0.011 0.000 0.745 160 L CB -0.458 41.590 42.059 -0.020 0.000 0.894 160 L HN 0.372 nan 8.230 nan 0.000 0.432 161 M N -0.695 118.908 119.600 0.005 0.000 2.530 161 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 161 M C 0.814 177.122 176.300 0.013 0.000 1.067 161 M CA 1.203 56.510 55.300 0.012 0.000 1.071 161 M CB -0.174 32.456 32.600 0.049 0.000 1.405 161 M HN 0.250 nan 8.290 nan 0.000 0.478 162 N N -0.553 118.152 118.700 0.009 0.000 2.238 162 N HA 0.131 4.871 4.740 -0.000 0.000 0.235 162 N C -0.604 174.889 175.510 -0.028 0.000 1.209 162 N CA 0.139 53.187 53.050 -0.002 0.000 0.879 162 N CB 0.885 39.380 38.487 0.013 0.000 1.136 162 N HN 0.079 nan 8.380 nan 0.000 0.517 163 T N 0.913 115.437 114.554 -0.051 0.000 2.897 163 T HA 0.189 4.539 4.350 -0.000 0.000 0.294 163 T C 0.226 174.842 174.700 -0.140 0.000 1.004 163 T CA 0.158 62.205 62.100 -0.088 0.000 1.106 163 T CB 1.750 70.557 68.868 -0.102 0.000 0.949 163 T HN -0.060 nan 8.240 nan 0.000 0.520 164 K N 2.850 123.152 120.400 -0.162 0.000 2.450 164 K HA 0.442 4.762 4.320 -0.000 0.000 0.257 164 K C -0.901 175.509 176.600 -0.317 0.000 0.953 164 K CA -0.627 55.533 56.287 -0.212 0.000 0.844 164 K CB 1.056 33.483 32.500 -0.121 0.000 1.103 164 K HN 0.347 nan 8.250 nan 0.000 0.429 165 V N 6.784 126.359 119.914 -0.565 0.000 2.450 165 V HA 0.060 4.180 4.120 -0.000 0.000 0.281 165 V C -1.633 174.203 176.094 -0.431 0.000 1.019 165 V CA -0.989 60.857 62.300 -0.757 0.000 1.062 165 V CB 0.515 31.529 31.823 -1.348 0.000 0.979 165 V HN 0.742 nan 8.190 nan 0.000 0.477 166 P HA 0.146 nan 4.420 nan 0.000 0.232 166 P C 0.732 178.268 177.300 0.392 0.000 1.738 166 P CA 0.142 63.297 63.100 0.091 0.000 0.948 166 P CB 0.523 32.356 31.700 0.223 0.000 1.943 167 A N 2.194 125.201 122.820 0.312 0.000 1.845 167 A HA -0.204 4.115 4.320 -0.000 0.000 0.215 167 A C 2.142 179.966 177.584 0.399 0.000 1.195 167 A CA 1.475 53.835 52.037 0.539 0.000 0.616 167 A CB -1.059 18.213 19.000 0.453 0.000 0.832 167 A HN 0.273 nan 8.150 nan 0.000 0.443 168 E N -0.736 119.605 120.200 0.236 0.000 2.147 168 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 168 E C 2.207 178.860 176.600 0.088 0.000 1.005 168 E CA 1.388 57.873 56.400 0.141 0.000 0.810 168 E CB -0.269 29.484 29.700 0.088 0.000 0.736 168 E HN 0.611 nan 8.360 nan 0.000 0.460 169 R N 0.225 120.755 120.500 0.050 0.000 2.159 169 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 169 R C 0.767 176.841 176.300 -0.377 0.000 1.131 169 R CA 1.162 57.144 56.100 -0.198 0.000 0.982 169 R CB 0.002 30.097 30.300 -0.342 0.000 0.868 169 R HN 0.158 nan 8.270 nan 0.000 0.453 170 F N 0.866 120.887 119.950 0.117 0.000 2.668 170 F HA 0.248 4.775 4.527 -0.000 0.000 0.301 170 F C -0.197 175.630 175.800 0.045 0.000 1.106 170 F CA -0.541 57.499 58.000 0.067 0.000 1.289 170 F CB 0.662 39.687 39.000 0.043 0.000 1.006 170 F HN -0.027 nan 8.300 nan 0.000 0.535 171 D N 0.985 121.486 120.400 0.169 0.000 2.708 171 D HA -0.179 4.461 4.640 -0.000 0.000 0.236 171 D C 0.441 176.819 176.300 0.130 0.000 1.146 171 D CA 0.464 54.535 54.000 0.119 0.000 0.662 171 D CB -1.066 39.780 40.800 0.075 0.000 1.059 171 D HN 0.245 nan 8.370 nan 0.000 0.428 172 L N -0.586 120.750 121.223 0.187 0.000 2.959 172 L HA 0.464 4.804 4.340 -0.000 0.000 0.259 172 L C 1.407 178.392 176.870 0.191 0.000 1.185 172 L CA 0.915 55.852 54.840 0.162 0.000 0.998 172 L CB 0.934 43.082 42.059 0.147 0.000 1.337 172 L HN 0.449 nan 8.230 nan 0.000 0.555 173 G N -0.813 108.093 108.800 0.177 0.000 2.315 173 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.296 173 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.296 173 G C -1.151 173.851 174.900 0.170 0.000 1.289 173 G CA -0.929 44.266 45.100 0.158 0.000 0.996 173 G HN -0.032 nan 8.290 nan 0.000 0.487 174 E N 0.533 120.826 120.200 0.154 0.000 2.204 174 E HA 0.436 4.786 4.350 -0.000 0.000 0.276 174 E C -0.762 175.977 176.600 0.232 0.000 0.974 174 E CA -0.799 55.690 56.400 0.149 0.000 0.815 174 E CB 1.151 30.909 29.700 0.097 0.000 1.119 174 E HN 0.406 nan 8.360 nan 0.000 0.393 175 D N 1.524 122.034 120.400 0.182 0.000 2.443 175 D HA 0.039 4.679 4.640 -0.000 0.000 0.234 175 D C -0.644 175.805 176.300 0.248 0.000 1.172 175 D CA 1.089 55.183 54.000 0.156 0.000 0.878 175 D CB 0.146 40.975 40.800 0.049 0.000 1.204 175 D HN 0.304 nan 8.370 nan 0.000 0.453 176 Y N -2.355 117.925 120.300 -0.034 0.000 2.641 176 Y HA 0.407 4.956 4.550 -0.000 0.000 0.333 176 Y C -1.441 174.421 175.900 -0.064 0.000 1.174 176 Y CA -1.327 56.751 58.100 -0.038 0.000 1.057 176 Y CB 0.376 38.819 38.460 -0.028 0.000 1.322 176 Y HN 0.220 nan 8.280 nan 0.000 0.457 177 L N 3.013 124.246 121.223 0.016 0.000 2.416 177 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 177 L C 0.038 176.853 176.870 -0.092 0.000 1.161 177 L CA -0.673 54.125 54.840 -0.069 0.000 0.845 177 L CB 0.759 42.821 42.059 0.005 0.000 1.119 177 L HN 0.733 nan 8.230 nan 0.000 0.464 178 L N 7.966 129.078 121.223 -0.185 0.000 2.534 178 L HA 0.149 4.489 4.340 -0.000 0.000 0.271 178 L C -1.887 174.964 176.870 -0.033 0.000 1.178 178 L CA -0.730 54.018 54.840 -0.154 0.000 0.907 178 L CB 0.090 42.050 42.059 -0.164 0.000 1.164 178 L HN 0.323 nan 8.230 nan 0.000 0.482 179 P HA 0.054 nan 4.420 nan 0.000 0.274 179 P C -0.953 176.348 177.300 0.002 0.000 1.291 179 P CA -0.100 63.020 63.100 0.034 0.000 0.815 179 P CB 0.737 32.476 31.700 0.064 0.000 0.897 180 V N 6.330 126.237 119.914 -0.011 0.000 2.383 180 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 180 V C 1.808 177.885 176.094 -0.027 0.000 1.036 180 V CA -0.298 61.986 62.300 -0.027 0.000 0.889 180 V CB 1.143 32.941 31.823 -0.040 0.000 0.985 180 V HN 0.545 nan 8.190 nan 0.000 0.459 181 R N 1.958 122.441 120.500 -0.029 0.000 2.334 181 R HA 0.364 4.704 4.340 -0.000 0.000 0.212 181 R C 0.102 176.378 176.300 -0.040 0.000 0.897 181 R CA -0.059 56.025 56.100 -0.027 0.000 1.056 181 R CB 0.527 30.817 30.300 -0.018 0.000 1.046 181 R HN 0.596 nan 8.270 nan 0.000 0.513 182 D N -0.105 120.261 120.400 -0.057 0.000 2.664 182 D HA 0.333 4.973 4.640 -0.000 0.000 0.292 182 D C -1.553 174.675 176.300 -0.119 0.000 1.214 182 D CA -0.746 53.210 54.000 -0.073 0.000 0.932 182 D CB 2.156 42.922 40.800 -0.057 0.000 1.420 182 D HN 0.053 nan 8.370 nan 0.000 0.471 183 L N 2.236 123.372 121.223 -0.144 0.000 2.481 183 L HA 0.369 4.709 4.340 -0.000 0.000 0.255 183 L C -2.613 174.135 176.870 -0.203 0.000 1.192 183 L CA -1.561 53.134 54.840 -0.242 0.000 0.924 183 L CB 1.814 43.690 42.059 -0.305 0.000 1.179 183 L HN 0.062 nan 8.230 nan 0.000 0.491 184 P HA 0.245 nan 4.420 nan 0.000 0.275 184 P C -1.062 176.177 177.300 -0.101 0.000 1.227 184 P CA -0.099 62.941 63.100 -0.099 0.000 0.781 184 P CB 1.618 33.280 31.700 -0.063 0.000 0.906 185 V N 1.883 121.763 119.914 -0.056 0.000 2.851 185 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 185 V C -0.382 175.715 176.094 0.005 0.000 1.129 185 V CA -0.561 61.724 62.300 -0.026 0.000 0.932 185 V CB 2.332 34.134 31.823 -0.035 0.000 1.024 185 V HN 0.674 nan 8.190 nan 0.000 0.426 186 S N 2.841 118.563 115.700 0.038 0.000 2.532 186 S HA 0.879 5.349 4.470 -0.000 0.000 0.301 186 S C -1.009 173.669 174.600 0.130 0.000 1.083 186 S CA -0.815 57.427 58.200 0.070 0.000 1.025 186 S CB 2.043 65.288 63.200 0.074 0.000 1.056 186 S HN 0.486 nan 8.310 nan 0.000 0.494 187 V N 2.442 122.445 119.914 0.149 0.000 2.407 187 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 187 V C -0.290 175.907 176.094 0.173 0.000 1.018 187 V CA -0.386 62.070 62.300 0.259 0.000 0.842 187 V CB 1.614 33.579 31.823 0.236 0.000 0.996 187 V HN 1.064 nan 8.190 nan 0.000 0.426 188 T N 3.738 118.393 114.554 0.170 0.000 2.794 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.280 188 T C -0.095 174.616 174.700 0.018 0.000 0.987 188 T CA -0.304 61.845 62.100 0.083 0.000 0.993 188 T CB 1.396 70.313 68.868 0.081 0.000 0.939 188 T HN 0.613 nan 8.240 nan 0.000 0.449 189 S N 2.401 118.115 115.700 0.025 0.000 2.536 189 S HA 0.582 5.052 4.470 -0.000 0.000 0.298 189 S C -0.870 173.743 174.600 0.021 0.000 1.083 189 S CA -0.782 57.431 58.200 0.022 0.000 0.995 189 S CB 1.333 64.558 63.200 0.042 0.000 1.058 189 S HN 0.604 nan 8.310 nan 0.000 0.488 190 L N 3.632 124.867 121.223 0.020 0.000 2.292 190 L HA 0.505 4.845 4.340 -0.000 0.000 0.284 190 L C -1.315 175.544 176.870 -0.017 0.000 1.065 190 L CA -0.608 54.218 54.840 -0.024 0.000 0.806 190 L CB 0.424 42.472 42.059 -0.019 0.000 1.175 190 L HN 0.527 nan 8.230 nan 0.000 0.431 191 I N 6.464 126.947 120.570 -0.144 0.000 2.328 191 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 191 I C -0.150 175.865 176.117 -0.170 0.000 1.012 191 I CA -0.464 60.752 61.300 -0.140 0.000 1.195 191 I CB 1.421 39.248 38.000 -0.288 0.000 1.350 191 I HN 0.212 nan 8.210 nan 0.000 0.464 192 V N 6.423 126.298 119.914 -0.065 0.000 2.284 192 V HA 0.662 4.782 4.120 -0.000 0.000 0.274 192 V C 0.867 176.944 176.094 -0.029 0.000 1.023 192 V CA 0.094 62.361 62.300 -0.055 0.000 0.808 192 V CB 0.483 32.285 31.823 -0.035 0.000 1.035 192 V HN 1.115 nan 8.190 nan 0.000 0.445 193 G N 4.708 113.505 108.800 -0.006 0.000 2.536 193 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 193 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 193 G C 0.593 175.513 174.900 0.032 0.000 1.152 193 G CA 0.580 45.690 45.100 0.016 0.000 0.970 193 G HN 0.569 nan 8.290 nan 0.000 0.549 194 N N 1.820 120.523 118.700 0.004 0.000 2.279 194 N HA 0.176 4.916 4.740 -0.000 0.000 0.226 194 N C -0.142 175.347 175.510 -0.034 0.000 1.126 194 N CA 0.298 53.356 53.050 0.013 0.000 0.846 194 N CB 0.140 38.627 38.487 0.000 0.000 1.050 194 N HN 0.414 nan 8.380 nan 0.000 0.502 195 K N 0.447 120.806 120.400 -0.069 0.000 2.385 195 K HA 0.316 4.636 4.320 -0.000 0.000 0.248 195 K C -1.244 175.304 176.600 -0.087 0.000 0.955 195 K CA -0.761 55.401 56.287 -0.209 0.000 0.816 195 K CB 1.856 34.176 32.500 -0.301 0.000 1.250 195 K HN 0.018 nan 8.250 nan 0.000 0.434 196 Y N -0.751 119.501 120.300 -0.079 0.000 2.536 196 Y HA 0.734 5.284 4.550 -0.000 0.000 0.347 196 Y C -1.328 174.628 175.900 0.093 0.000 1.000 196 Y CA -1.586 56.510 58.100 -0.006 0.000 1.051 196 Y CB 0.983 39.446 38.460 0.004 0.000 1.259 196 Y HN 0.182 nan 8.280 nan 0.000 0.468 197 L N 3.821 125.222 121.223 0.296 0.000 2.343 197 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 197 L C -0.532 176.434 176.870 0.159 0.000 0.996 197 L CA -0.746 54.245 54.840 0.252 0.000 0.831 197 L CB 1.702 43.836 42.059 0.124 0.000 1.232 197 L HN 0.658 nan 8.230 nan 0.000 0.413 198 V N 2.702 122.708 119.914 0.153 0.000 2.715 198 V HA 0.142 4.262 4.120 -0.000 0.000 0.299 198 V C 0.390 176.315 176.094 -0.282 0.000 1.054 198 V CA -0.079 62.198 62.300 -0.037 0.000 1.077 198 V CB 0.990 32.816 31.823 0.006 0.000 0.972 198 V HN 0.899 nan 8.190 nan 0.000 0.484 199 D N 3.352 123.465 120.400 -0.479 0.000 2.927 199 D HA -0.121 4.519 4.640 -0.000 0.000 0.236 199 D C -2.075 174.060 176.300 -0.274 0.000 1.163 199 D CA 0.070 53.713 54.000 -0.595 0.000 0.801 199 D CB -0.077 40.002 40.800 -1.202 0.000 0.975 199 D HN 0.440 nan 8.370 nan 0.000 0.413 200 P HA 0.145 nan 4.420 nan 0.000 0.272 200 P C -0.103 177.161 177.300 -0.061 0.000 1.223 200 P CA -0.354 62.696 63.100 -0.082 0.000 0.784 200 P CB 1.127 32.800 31.700 -0.045 0.000 0.923 201 S N 1.635 117.308 115.700 -0.045 0.000 2.745 201 S HA 0.353 4.823 4.470 -0.000 0.000 0.292 201 S C 1.354 175.945 174.600 -0.014 0.000 1.133 201 S CA -0.845 57.338 58.200 -0.028 0.000 0.998 201 S CB 1.457 64.641 63.200 -0.027 0.000 1.087 201 S HN 0.378 nan 8.310 nan 0.000 0.551 202 R N 0.731 121.225 120.500 -0.011 0.000 2.083 202 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 202 R C 1.920 178.216 176.300 -0.005 0.000 1.137 202 R CA 2.080 58.174 56.100 -0.010 0.000 0.951 202 R CB -0.821 29.465 30.300 -0.023 0.000 0.851 202 R HN 0.872 nan 8.270 nan 0.000 0.434 203 E N 0.009 120.208 120.200 -0.001 0.000 2.077 203 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 203 E C 1.968 178.578 176.600 0.017 0.000 0.989 203 E CA 1.271 57.679 56.400 0.013 0.000 0.800 203 E CB -0.033 29.684 29.700 0.028 0.000 0.746 203 E HN 0.474 nan 8.360 nan 0.000 0.452 204 E N 0.176 120.378 120.200 0.003 0.000 2.110 204 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 204 E C 1.904 178.502 176.600 -0.004 0.000 0.988 204 E CA 0.715 57.112 56.400 -0.004 0.000 0.804 204 E CB 0.036 29.724 29.700 -0.021 0.000 0.745 204 E HN 0.196 nan 8.360 nan 0.000 0.458 205 M N 0.493 120.092 119.600 -0.003 0.000 2.539 205 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 205 M C 1.904 178.207 176.300 0.005 0.000 1.069 205 M CA 0.968 56.268 55.300 -0.000 0.000 1.081 205 M CB -0.562 32.042 32.600 0.007 0.000 1.412 205 M HN -0.035 nan 8.290 nan 0.000 0.482 206 S N 0.261 115.966 115.700 0.009 0.000 2.469 206 S HA -0.065 4.405 4.470 -0.000 0.000 0.238 206 S C 2.017 176.624 174.600 0.012 0.000 0.998 206 S CA 0.758 58.966 58.200 0.013 0.000 0.957 206 S CB -0.297 62.915 63.200 0.020 0.000 0.764 206 S HN 0.336 nan 8.310 nan 0.000 0.514 207 V N 0.580 120.497 119.914 0.005 0.000 2.667 207 V HA 0.208 4.328 4.120 -0.000 0.000 0.252 207 V C 1.229 177.321 176.094 -0.003 0.000 1.065 207 V CA 1.052 63.352 62.300 0.000 0.000 1.083 207 V CB -0.988 30.829 31.823 -0.010 0.000 0.692 207 V HN 0.607 nan 8.190 nan 0.000 0.468 208 G N -0.669 108.128 108.800 -0.005 0.000 2.329 208 G HA2 0.031 3.991 3.960 -0.000 0.000 0.308 208 G HA3 0.031 3.991 3.960 -0.000 0.000 0.308 208 G C -1.233 173.661 174.900 -0.010 0.000 1.587 208 G CA -0.386 44.713 45.100 -0.001 0.000 0.978 208 G HN -0.057 nan 8.290 nan 0.000 0.685 209 D N 1.337 121.743 120.400 0.009 0.000 2.801 209 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 209 D C 0.903 177.206 176.300 0.005 0.000 1.128 209 D CA 0.432 54.441 54.000 0.015 0.000 1.003 209 D CB -0.265 40.560 40.800 0.042 0.000 1.110 209 D HN 0.581 nan 8.370 nan 0.000 0.477 210 T N -1.016 113.487 114.554 -0.085 0.000 2.874 210 T HA 0.508 4.858 4.350 -0.000 0.000 0.321 210 T C 0.350 174.838 174.700 -0.354 0.000 1.075 210 T CA -0.803 61.140 62.100 -0.263 0.000 0.966 210 T CB 1.232 69.801 68.868 -0.498 0.000 1.001 210 T HN 0.131 nan 8.240 nan 0.000 0.476 211 T N 0.990 115.485 114.554 -0.099 0.000 2.831 211 T HA 0.781 5.130 4.350 -0.000 0.000 0.287 211 T C -1.190 173.615 174.700 0.176 0.000 1.070 211 T CA -1.100 60.996 62.100 -0.005 0.000 1.010 211 T CB 2.144 71.031 68.868 0.032 0.000 1.264 211 T HN 0.594 nan 8.240 nan 0.000 0.532 212 L N 1.345 122.653 121.223 0.143 0.000 2.470 212 L HA 0.620 4.960 4.340 -0.000 0.000 0.268 212 L C -1.420 175.519 176.870 0.116 0.000 0.964 212 L CA -0.217 54.729 54.840 0.177 0.000 0.839 212 L CB 1.767 43.954 42.059 0.214 0.000 1.276 212 L HN 1.067 nan 8.230 nan 0.000 0.403 213 T N 6.350 120.972 114.554 0.113 0.000 2.812 213 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 213 T C -0.110 174.644 174.700 0.089 0.000 0.990 213 T CA -0.273 61.882 62.100 0.093 0.000 0.960 213 T CB 1.687 70.608 68.868 0.087 0.000 0.948 213 T HN 0.444 nan 8.240 nan 0.000 0.438 214 I N 2.649 123.262 120.570 0.072 0.000 2.436 214 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 214 I C -0.075 176.069 176.117 0.046 0.000 1.010 214 I CA -0.717 60.617 61.300 0.056 0.000 1.098 214 I CB 2.099 40.112 38.000 0.021 0.000 1.266 214 I HN 0.506 nan 8.210 nan 0.000 0.434 215 T N 3.909 118.486 114.554 0.039 0.000 2.797 215 T HA 0.462 4.812 4.350 -0.000 0.000 0.279 215 T C -0.054 174.652 174.700 0.010 0.000 0.991 215 T CA -0.439 61.676 62.100 0.025 0.000 0.979 215 T CB 1.662 70.544 68.868 0.024 0.000 0.943 215 T HN 0.473 nan 8.240 nan 0.000 0.444 216 T N 2.836 117.388 114.554 -0.003 0.000 2.932 216 T HA 0.579 4.929 4.350 -0.000 0.000 0.289 216 T C -0.308 174.376 174.700 -0.027 0.000 1.039 216 T CA -0.896 61.197 62.100 -0.013 0.000 1.024 216 T CB 1.422 70.280 68.868 -0.016 0.000 1.090 216 T HN 0.772 nan 8.240 nan 0.000 0.496 217 D N -0.228 120.155 120.400 -0.029 0.000 2.569 217 D HA 0.249 4.889 4.640 -0.000 0.000 0.266 217 D C 1.134 177.408 176.300 -0.044 0.000 1.164 217 D CA -0.915 53.060 54.000 -0.041 0.000 1.071 217 D CB 0.605 41.386 40.800 -0.032 0.000 1.183 217 D HN 0.541 nan 8.370 nan 0.000 0.613 218 K N -0.874 119.495 120.400 -0.051 0.000 2.360 218 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 218 K C -0.060 176.522 176.600 -0.029 0.000 1.046 218 K CA 1.125 57.385 56.287 -0.046 0.000 0.945 218 K CB -0.188 32.281 32.500 -0.051 0.000 0.750 218 K HN 0.252 nan 8.250 nan 0.000 0.464 219 D N 1.363 121.749 120.400 -0.024 0.000 2.342 219 D HA 0.003 4.643 4.640 -0.000 0.000 0.221 219 D C -0.472 175.819 176.300 -0.015 0.000 1.101 219 D CA 0.206 54.196 54.000 -0.017 0.000 0.837 219 D CB 0.316 41.108 40.800 -0.014 0.000 0.938 219 D HN 0.190 nan 8.370 nan 0.000 0.508 220 D N 0.405 120.795 120.400 -0.017 0.000 3.090 220 D HA -0.162 4.478 4.640 -0.000 0.000 0.215 220 D C -0.281 176.011 176.300 -0.014 0.000 1.140 220 D CA 0.551 54.542 54.000 -0.016 0.000 0.937 220 D CB -1.867 38.925 40.800 -0.013 0.000 1.108 220 D HN 0.403 nan 8.370 nan 0.000 0.420 221 N N -0.538 118.155 118.700 -0.012 0.000 2.524 221 N HA 0.388 5.127 4.740 -0.000 0.000 0.283 221 N C 0.013 175.520 175.510 -0.004 0.000 1.142 221 N CA -0.650 52.396 53.050 -0.007 0.000 0.984 221 N CB 1.498 39.982 38.487 -0.005 0.000 1.155 221 N HN -0.189 nan 8.380 nan 0.000 0.467 222 V N 1.872 121.787 119.914 0.003 0.000 2.686 222 V HA 0.036 4.156 4.120 -0.000 0.000 0.295 222 V C 0.781 176.883 176.094 0.013 0.000 1.055 222 V CA 0.116 62.422 62.300 0.011 0.000 1.050 222 V CB 1.481 33.319 31.823 0.026 0.000 0.984 222 V HN 0.539 nan 8.190 nan 0.000 0.482 223 V N 3.044 122.966 119.914 0.013 0.000 3.426 223 V HA 0.634 4.754 4.120 -0.000 0.000 0.279 223 V C 0.327 176.431 176.094 0.017 0.000 1.544 223 V CA 0.904 63.210 62.300 0.010 0.000 1.017 223 V CB 0.888 32.711 31.823 -0.000 0.000 0.821 223 V HN 0.986 nan 8.190 nan 0.000 0.432 224 A N 0.650 123.485 122.820 0.025 0.000 2.555 224 A HA 0.825 5.144 4.320 -0.000 0.000 0.297 224 A C -1.208 176.405 177.584 0.048 0.000 1.060 224 A CA -0.341 51.715 52.037 0.032 0.000 0.710 224 A CB 1.527 20.543 19.000 0.026 0.000 1.282 224 A HN 0.143 nan 8.150 nan 0.000 0.399 225 M N 1.118 120.752 119.600 0.056 0.000 2.501 225 M HA 0.645 5.125 4.480 -0.000 0.000 0.293 225 M C -0.998 175.342 176.300 0.068 0.000 1.192 225 M CA -0.603 54.745 55.300 0.081 0.000 0.886 225 M CB 2.657 35.327 32.600 0.117 0.000 1.710 225 M HN 0.749 nan 8.290 nan 0.000 0.457 226 Q N 2.566 122.415 119.800 0.081 0.000 2.331 226 Q HA 0.353 4.693 4.340 -0.000 0.000 0.249 226 Q C -1.780 174.275 176.000 0.091 0.000 0.913 226 Q CA -0.505 55.339 55.803 0.068 0.000 0.874 226 Q CB 1.961 30.735 28.738 0.059 0.000 1.384 226 Q HN 0.593 nan 8.270 nan 0.000 0.427 227 K N 1.996 122.441 120.400 0.075 0.000 2.156 227 K HA 0.792 5.111 4.320 -0.000 0.000 0.271 227 K C -1.012 175.654 176.600 0.110 0.000 0.995 227 K CA -0.243 56.109 56.287 0.109 0.000 0.890 227 K CB 1.084 33.594 32.500 0.018 0.000 1.073 227 K HN 0.585 nan 8.250 nan 0.000 0.454 228 S N 1.379 117.203 115.700 0.206 0.000 2.549 228 S HA 0.832 5.301 4.470 -0.000 0.000 0.280 228 S C -1.085 173.688 174.600 0.288 0.000 1.109 228 S CA -0.108 58.199 58.200 0.178 0.000 0.905 228 S CB 1.785 65.059 63.200 0.123 0.000 1.081 228 S HN 1.099 nan 8.310 nan 0.000 0.477 229 G N 0.561 109.481 108.800 0.200 0.000 2.663 229 G HA2 0.228 4.188 3.960 -0.000 0.000 0.686 229 G HA3 0.228 4.188 3.960 -0.000 0.000 0.686 229 G C -0.055 175.003 174.900 0.263 0.000 1.246 229 G CA -0.567 44.671 45.100 0.231 0.000 0.795 229 G HN 1.139 nan 8.290 nan 0.000 0.627 230 G N 0.724 109.641 108.800 0.195 0.000 2.770 230 G HA2 0.742 4.702 3.960 -0.000 0.000 0.307 230 G HA3 0.742 4.702 3.960 -0.000 0.000 0.307 230 G C -0.106 174.924 174.900 0.217 0.000 0.863 230 G CA 0.692 45.873 45.100 0.136 0.000 1.595 230 G HN 1.930 nan 8.290 nan 0.000 0.496 231 Y N -0.188 120.121 120.300 0.014 0.000 2.670 231 Y HA 0.705 5.255 4.550 -0.000 0.000 0.334 231 Y C -1.343 174.565 175.900 0.012 0.000 1.185 231 Y CA -1.854 56.255 58.100 0.016 0.000 1.053 231 Y CB 1.257 39.731 38.460 0.024 0.000 1.298 231 Y HN 0.098 nan 8.280 nan 0.000 0.459 232 L N 3.388 124.614 121.223 0.006 0.000 2.309 232 L HA 0.474 4.814 4.340 -0.000 0.000 0.282 232 L C -0.692 176.174 176.870 -0.007 0.000 1.036 232 L CA -0.908 53.872 54.840 -0.100 0.000 0.806 232 L CB 1.755 43.809 42.059 -0.009 0.000 1.220 232 L HN 0.655 nan 8.230 nan 0.000 0.429 233 L N 3.161 124.314 121.223 -0.117 0.000 2.265 233 L HA 0.314 4.654 4.340 -0.000 0.000 0.289 233 L C -0.456 176.448 176.870 0.057 0.000 1.033 233 L CA -0.561 54.311 54.840 0.053 0.000 0.814 233 L CB 1.500 43.549 42.059 -0.018 0.000 1.203 233 L HN 0.573 nan 8.230 nan 0.000 0.423 234 D N 3.104 123.572 120.400 0.112 0.000 2.417 234 D HA -0.071 4.569 4.640 -0.000 0.000 0.250 234 D C 1.042 177.409 176.300 0.110 0.000 1.166 234 D CA 0.370 54.423 54.000 0.088 0.000 0.881 234 D CB 1.174 42.030 40.800 0.094 0.000 1.164 234 D HN 0.629 nan 8.370 nan 0.000 0.467 235 E N 2.941 123.186 120.200 0.075 0.000 2.160 235 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 235 E C 1.145 177.843 176.600 0.164 0.000 0.991 235 E CA 1.052 57.514 56.400 0.102 0.000 0.810 235 E CB 0.242 29.969 29.700 0.046 0.000 0.742 235 E HN 0.424 nan 8.360 nan 0.000 0.466 236 K N 0.079 120.548 120.400 0.116 0.000 2.228 236 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 236 K C 2.152 178.821 176.600 0.115 0.000 1.051 236 K CA 0.442 56.791 56.287 0.103 0.000 0.960 236 K CB 0.037 32.578 32.500 0.069 0.000 0.743 236 K HN 0.213 nan 8.250 nan 0.000 0.458 237 L N 0.196 121.506 121.223 0.144 0.000 2.109 237 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 237 L C 2.110 179.054 176.870 0.122 0.000 1.086 237 L CA 0.881 55.817 54.840 0.161 0.000 0.760 237 L CB -0.168 42.009 42.059 0.197 0.000 0.910 237 L HN 0.073 nan 8.230 nan 0.000 0.437 238 F N 0.986 120.952 119.950 0.027 0.000 2.102 238 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 238 F C 2.125 177.915 175.800 -0.017 0.000 1.105 238 F CA 1.975 59.974 58.000 -0.001 0.000 1.239 238 F CB -0.329 38.676 39.000 0.008 0.000 0.991 238 F HN 0.178 nan 8.300 nan 0.000 0.474 239 D N 0.236 120.642 120.400 0.009 0.000 2.123 239 D HA -0.226 4.413 4.640 -0.000 0.000 0.196 239 D C 2.186 178.396 176.300 -0.150 0.000 0.992 239 D CA 1.618 55.570 54.000 -0.080 0.000 0.833 239 D CB -0.386 40.440 40.800 0.042 0.000 0.954 239 D HN 0.565 nan 8.370 nan 0.000 0.455 240 E N -0.167 119.978 120.200 -0.092 0.000 2.046 240 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 240 E C 2.096 178.570 176.600 -0.211 0.000 0.982 240 E CA 0.240 56.593 56.400 -0.078 0.000 0.800 240 E CB -0.035 29.694 29.700 0.047 0.000 0.756 240 E HN 0.029 nan 8.360 nan 0.000 0.449 241 L N 1.486 122.496 121.223 -0.355 0.000 2.131 241 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 241 L C 2.150 178.782 176.870 -0.397 0.000 1.092 241 L CA 1.226 55.751 54.840 -0.525 0.000 0.759 241 L CB -0.568 41.164 42.059 -0.545 0.000 0.903 241 L HN 0.303 nan 8.230 nan 0.000 0.435 242 L N -0.935 119.998 121.223 -0.483 0.000 1.989 242 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 242 L C 2.139 178.863 176.870 -0.243 0.000 1.071 242 L CA 2.190 56.759 54.840 -0.452 0.000 0.749 242 L CB -0.510 41.176 42.059 -0.622 0.000 0.890 242 L HN 0.401 nan 8.230 nan 0.000 0.431 243 D N -0.851 119.431 120.400 -0.197 0.000 2.117 243 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 243 D C 2.198 178.449 176.300 -0.082 0.000 0.982 243 D CA 1.351 55.285 54.000 -0.110 0.000 0.828 243 D CB 0.128 40.881 40.800 -0.078 0.000 0.967 243 D HN 0.244 nan 8.370 nan 0.000 0.464 244 V N 1.330 121.184 119.914 -0.100 0.000 2.332 244 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 244 V C 2.579 178.650 176.094 -0.038 0.000 1.055 244 V CA 1.558 63.826 62.300 -0.054 0.000 1.038 244 V CB -0.530 31.242 31.823 -0.085 0.000 0.651 244 V HN 0.116 nan 8.190 nan 0.000 0.450 245 S N -0.186 115.462 115.700 -0.086 0.000 2.382 245 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 245 S C 1.857 176.449 174.600 -0.013 0.000 1.027 245 S CA 1.612 59.791 58.200 -0.035 0.000 0.991 245 S CB -0.346 62.811 63.200 -0.072 0.000 0.823 245 S HN 0.527 nan 8.310 nan 0.000 0.469 246 I N 1.661 122.208 120.570 -0.039 0.000 2.394 246 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 246 I C 1.830 177.940 176.117 -0.012 0.000 1.136 246 I CA 0.909 62.193 61.300 -0.027 0.000 1.425 246 I CB -0.413 37.564 38.000 -0.037 0.000 1.079 246 I HN 0.231 nan 8.210 nan 0.000 0.425 247 N N 0.067 118.765 118.700 -0.004 0.000 2.216 247 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 247 N C 1.793 177.316 175.510 0.022 0.000 1.017 247 N CA 1.092 54.148 53.050 0.010 0.000 0.861 247 N CB -0.277 38.220 38.487 0.018 0.000 0.986 247 N HN 0.298 nan 8.380 nan 0.000 0.428 248 C N -0.044 119.282 119.300 0.043 0.000 2.457 248 C HA 0.181 4.641 4.460 -0.000 0.000 0.278 248 C C 2.746 177.723 174.990 -0.021 0.000 1.309 248 C CA 0.447 59.503 59.018 0.064 0.000 1.735 248 C CB -1.164 26.692 27.740 0.194 0.000 1.992 248 C HN 0.489 nan 8.230 nan 0.000 0.493 249 A N 0.539 123.351 122.820 -0.014 0.000 1.902 249 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 249 A C 2.289 179.849 177.584 -0.040 0.000 1.181 249 A CA 1.600 53.611 52.037 -0.044 0.000 0.623 249 A CB -0.628 18.360 19.000 -0.020 0.000 0.818 249 A HN 0.630 nan 8.150 nan 0.000 0.443 250 R N -0.081 120.406 120.500 -0.021 0.000 2.081 250 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 250 R C 2.109 178.402 176.300 -0.012 0.000 1.131 250 R CA 1.877 57.969 56.100 -0.013 0.000 0.960 250 R CB -0.232 30.065 30.300 -0.006 0.000 0.856 250 R HN 0.532 nan 8.270 nan 0.000 0.436 251 K N 0.237 120.626 120.400 -0.018 0.000 2.057 251 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 251 K C 2.155 178.729 176.600 -0.043 0.000 1.049 251 K CA 1.309 57.583 56.287 -0.021 0.000 0.931 251 K CB -0.133 32.359 32.500 -0.012 0.000 0.714 251 K HN 0.217 nan 8.250 nan 0.000 0.440 252 L N 0.455 121.621 121.223 -0.095 0.000 2.131 252 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 252 L C 2.539 179.432 176.870 0.038 0.000 1.092 252 L CA 0.951 55.724 54.840 -0.113 0.000 0.759 252 L CB -0.286 41.622 42.059 -0.252 0.000 0.903 252 L HN 0.168 nan 8.230 nan 0.000 0.435 253 R N 0.182 120.717 120.500 0.058 0.000 2.293 253 R HA -0.135 4.205 4.340 -0.000 0.000 0.219 253 R C 1.902 178.299 176.300 0.161 0.000 1.091 253 R CA 0.722 56.905 56.100 0.139 0.000 1.004 253 R CB 0.080 30.396 30.300 0.027 0.000 0.865 253 R HN 0.428 nan 8.270 nan 0.000 0.469 254 E N 0.106 120.354 120.200 0.080 0.000 2.158 254 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 254 E C 1.475 178.100 176.600 0.041 0.000 0.982 254 E CA 0.609 57.041 56.400 0.054 0.000 0.823 254 E CB 0.182 29.892 29.700 0.016 0.000 0.766 254 E HN 0.255 nan 8.360 nan 0.000 0.468 255 K N 0.390 120.787 120.400 -0.005 0.000 2.211 255 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 255 K C 1.688 178.180 176.600 -0.181 0.000 1.047 255 K CA 0.861 57.073 56.287 -0.126 0.000 0.935 255 K CB -0.285 32.070 32.500 -0.242 0.000 0.728 255 K HN 0.161 nan 8.250 nan 0.000 0.452 256 F N 1.707 121.638 119.950 -0.032 0.000 2.771 256 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 256 F C 1.083 176.872 175.800 -0.019 0.000 1.177 256 F CA 0.603 58.588 58.000 -0.025 0.000 1.450 256 F CB -0.092 38.892 39.000 -0.026 0.000 1.114 256 F HN -0.112 nan 8.300 nan 0.000 0.587 257 K N 0.000 120.459 120.400 0.098 0.000 2.780 257 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 257 K CA 0.000 56.322 56.287 0.059 0.000 0.838 257 K CB 0.000 32.525 32.500 0.041 0.000 1.064 257 K HN 0.000 nan 8.250 nan 0.000 0.543