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 3du0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI XEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQLGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINQRLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.768 176.300 -0.887 0.000 1.140 1 M CA 0.000 54.710 55.300 -0.983 0.000 0.988 1 M CB 0.000 32.323 32.600 -0.461 0.000 1.302 2 F N 0.870 120.782 119.950 -0.064 0.000 2.679 2 F HA 0.642 5.169 4.527 0.000 0.000 0.354 2 F C -0.076 175.694 175.800 -0.049 0.000 1.423 2 F CA -0.236 57.719 58.000 -0.074 0.000 1.141 2 F CB 0.566 39.503 39.000 -0.106 0.000 1.168 2 F HN 0.767 nan 8.300 nan 0.000 0.530 3 T N -2.848 111.737 114.554 0.051 0.000 2.865 3 T HA 0.869 5.219 4.350 -0.000 0.000 0.294 3 T C 0.323 175.046 174.700 0.039 0.000 1.119 3 T CA -0.325 61.819 62.100 0.072 0.000 1.007 3 T CB 1.849 70.756 68.868 0.064 0.000 1.225 3 T HN 0.875 nan 8.240 nan 0.000 0.515 4 G N 0.853 109.686 108.800 0.056 0.000 2.553 4 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.242 4 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.242 4 G C 0.057 174.970 174.900 0.022 0.000 1.277 4 G CA -0.104 45.016 45.100 0.034 0.000 0.910 4 G HN 1.673 nan 8.290 nan 0.000 0.576 5 S N 0.086 115.793 115.700 0.012 0.000 2.405 5 S HA 0.577 5.047 4.470 -0.000 0.000 0.291 5 S C 0.312 174.902 174.600 -0.017 0.000 1.137 5 S CA -0.420 57.784 58.200 0.007 0.000 1.061 5 S CB -0.665 62.550 63.200 0.023 0.000 1.001 5 S HN 0.611 nan 8.310 nan 0.000 0.507 6 I N 4.970 125.522 120.570 -0.031 0.000 2.378 6 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 6 I C -0.087 175.980 176.117 -0.083 0.000 0.992 6 I CA -0.770 60.496 61.300 -0.058 0.000 1.154 6 I CB 1.883 39.859 38.000 -0.040 0.000 1.315 6 I HN 0.283 nan 8.210 nan 0.000 0.448 7 V N 6.871 126.699 119.914 -0.143 0.000 2.406 7 V HA 0.546 4.666 4.120 -0.000 0.000 0.272 7 V C 0.596 176.608 176.094 -0.137 0.000 1.043 7 V CA -0.412 61.790 62.300 -0.164 0.000 0.915 7 V CB 1.336 32.928 31.823 -0.385 0.000 0.988 7 V HN 0.841 nan 8.190 nan 0.000 0.466 8 A N 7.895 130.666 122.820 -0.081 0.000 2.797 8 A HA 0.352 4.672 4.320 -0.000 0.000 0.296 8 A C 0.167 177.725 177.584 -0.043 0.000 1.580 8 A CA -0.098 51.901 52.037 -0.063 0.000 1.277 8 A CB -0.583 18.392 19.000 -0.041 0.000 1.101 8 A HN 0.936 nan 8.150 nan 0.000 0.562 9 I N 3.497 124.029 120.570 -0.063 0.000 2.648 9 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 9 I C 0.738 176.851 176.117 -0.006 0.000 1.153 9 I CA -0.236 61.047 61.300 -0.028 0.000 1.426 9 I CB 1.079 39.054 38.000 -0.042 0.000 1.381 9 I HN 0.567 nan 8.210 nan 0.000 0.571 10 V N 3.788 123.712 119.914 0.016 0.000 2.999 10 V HA 0.137 4.257 4.120 -0.000 0.000 0.307 10 V C 0.314 176.409 176.094 0.001 0.000 1.084 10 V CA -0.292 62.010 62.300 0.005 0.000 1.155 10 V CB 0.662 32.490 31.823 0.007 0.000 0.975 10 V HN 0.775 nan 8.190 nan 0.000 0.490 11 T N 6.658 121.207 114.554 -0.009 0.000 2.891 11 T HA 0.352 4.702 4.350 -0.000 0.000 0.315 11 T C -2.361 172.338 174.700 -0.003 0.000 1.054 11 T CA -0.677 61.419 62.100 -0.007 0.000 0.958 11 T CB 0.467 69.325 68.868 -0.017 0.000 1.008 11 T HN 0.810 nan 8.240 nan 0.000 0.521 12 P HA 0.199 nan 4.420 nan 0.000 0.267 12 P C -0.675 176.624 177.300 -0.001 0.000 1.205 12 P CA -0.132 62.966 63.100 -0.004 0.000 0.765 12 P CB 0.525 32.222 31.700 -0.006 0.000 0.828 13 M N 2.025 121.624 119.600 -0.002 0.000 2.535 13 M HA 0.260 4.740 4.480 -0.000 0.000 0.314 13 M C 0.562 176.863 176.300 0.000 0.000 1.153 13 M CA -0.837 54.464 55.300 0.002 0.000 0.924 13 M CB 1.564 34.166 32.600 0.004 0.000 1.710 13 M HN 0.290 nan 8.290 nan 0.000 0.451 14 D N 0.921 121.322 120.400 0.002 0.000 2.312 14 D HA -0.025 4.615 4.640 -0.000 0.000 0.244 14 D C 0.504 176.806 176.300 0.004 0.000 1.328 14 D CA -0.037 53.964 54.000 0.001 0.000 0.965 14 D CB 0.504 41.306 40.800 0.002 0.000 1.140 14 D HN 0.520 nan 8.370 nan 0.000 0.523 15 E N -0.909 119.293 120.200 0.004 0.000 2.409 15 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 15 E C 1.158 177.762 176.600 0.007 0.000 1.024 15 E CA 0.703 57.107 56.400 0.006 0.000 0.861 15 E CB -0.108 29.596 29.700 0.006 0.000 0.788 15 E HN 0.486 nan 8.360 nan 0.000 0.521 16 K N -0.719 119.684 120.400 0.006 0.000 2.374 16 K HA 0.105 4.426 4.320 -0.000 0.000 0.196 16 K C 0.860 177.465 176.600 0.007 0.000 1.023 16 K CA 0.446 56.737 56.287 0.007 0.000 1.103 16 K CB 0.750 33.254 32.500 0.007 0.000 0.848 16 K HN 0.162 nan 8.250 nan 0.000 0.528 17 G N 1.425 110.230 108.800 0.008 0.000 2.141 17 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 17 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 17 G C -0.497 174.409 174.900 0.010 0.000 0.982 17 G CA -0.409 44.696 45.100 0.008 0.000 0.662 17 G HN 0.233 nan 8.290 nan 0.000 0.527 18 N N -0.168 118.539 118.700 0.010 0.000 2.443 18 N HA 0.429 5.169 4.740 -0.000 0.000 0.295 18 N C 0.352 175.870 175.510 0.013 0.000 1.076 18 N CA -0.356 52.702 53.050 0.014 0.000 0.919 18 N CB 2.228 40.723 38.487 0.014 0.000 1.176 18 N HN 0.192 nan 8.380 nan 0.000 0.487 19 V N 1.658 121.582 119.914 0.017 0.000 2.584 19 V HA -0.115 4.005 4.120 -0.000 0.000 0.303 19 V C 0.220 176.322 176.094 0.013 0.000 1.035 19 V CA -0.065 62.245 62.300 0.016 0.000 1.172 19 V CB -0.168 31.669 31.823 0.024 0.000 0.896 19 V HN 0.781 nan 8.190 nan 0.000 0.486 20 C N 8.130 127.435 119.300 0.009 0.000 2.200 20 C HA 0.386 4.846 4.460 -0.000 0.000 0.328 20 C C 1.744 176.738 174.990 0.007 0.000 1.148 20 C CA -0.469 58.552 59.018 0.005 0.000 1.624 20 C CB -0.579 27.160 27.740 -0.001 0.000 2.167 20 C HN 1.112 nan 8.230 nan 0.000 0.484 21 R N 3.947 124.453 120.500 0.010 0.000 2.120 21 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 21 R C 1.947 178.253 176.300 0.010 0.000 1.123 21 R CA 1.932 58.040 56.100 0.013 0.000 0.975 21 R CB -0.052 30.257 30.300 0.015 0.000 0.866 21 R HN 0.851 nan 8.270 nan 0.000 0.446 22 A N -0.298 122.525 122.820 0.004 0.000 1.968 22 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 22 A C 2.103 179.685 177.584 -0.004 0.000 1.169 22 A CA 1.450 53.487 52.037 0.000 0.000 0.638 22 A CB -0.193 18.805 19.000 -0.004 0.000 0.812 22 A HN 0.378 nan 8.150 nan 0.000 0.446 23 S N -0.562 115.134 115.700 -0.006 0.000 2.395 23 S HA -0.055 4.415 4.470 -0.000 0.000 0.225 23 S C 1.771 176.372 174.600 0.001 0.000 1.027 23 S CA 1.079 59.271 58.200 -0.013 0.000 0.965 23 S CB -0.278 62.910 63.200 -0.020 0.000 0.812 23 S HN 0.442 nan 8.310 nan 0.000 0.482 24 L N 2.264 123.494 121.223 0.012 0.000 2.131 24 L HA 0.036 4.376 4.340 -0.000 0.000 0.210 24 L C 2.065 178.957 176.870 0.037 0.000 1.092 24 L CA 1.720 56.576 54.840 0.027 0.000 0.759 24 L CB -0.490 41.584 42.059 0.025 0.000 0.903 24 L HN 0.134 nan 8.230 nan 0.000 0.435 25 K N -0.596 119.819 120.400 0.026 0.000 2.025 25 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 25 K C 2.138 178.757 176.600 0.033 0.000 1.049 25 K CA 1.359 57.663 56.287 0.028 0.000 0.933 25 K CB -0.019 32.491 32.500 0.017 0.000 0.714 25 K HN 0.273 nan 8.250 nan 0.000 0.438 26 K N 0.638 121.048 120.400 0.016 0.000 2.044 26 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 26 K C 2.205 178.826 176.600 0.035 0.000 1.049 26 K CA 1.554 57.845 56.287 0.007 0.000 0.927 26 K CB -0.220 32.261 32.500 -0.032 0.000 0.713 26 K HN 0.196 nan 8.250 nan 0.000 0.443 27 L N 0.680 121.932 121.223 0.050 0.000 2.017 27 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 27 L C 2.419 179.429 176.870 0.234 0.000 1.073 27 L CA 1.152 56.068 54.840 0.127 0.000 0.745 27 L CB -0.439 41.703 42.059 0.138 0.000 0.894 27 L HN 0.169 nan 8.230 nan 0.000 0.432 28 I N -0.259 120.414 120.570 0.171 0.000 2.286 28 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 28 I C 2.016 178.207 176.117 0.124 0.000 1.115 28 I CA 1.038 62.437 61.300 0.165 0.000 1.392 28 I CB -0.409 37.647 38.000 0.093 0.000 1.065 28 I HN 0.275 nan 8.210 nan 0.000 0.418 29 D N 0.212 120.665 120.400 0.089 0.000 2.144 29 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 29 D C 1.929 178.263 176.300 0.058 0.000 0.978 29 D CA 1.204 55.239 54.000 0.059 0.000 0.833 29 D CB -0.372 40.455 40.800 0.045 0.000 0.961 29 D HN 0.367 nan 8.370 nan 0.000 0.470 30 Y N 1.413 121.660 120.300 -0.088 0.000 2.207 30 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 30 Y C 2.205 177.957 175.900 -0.247 0.000 1.156 30 Y CA 1.742 59.731 58.100 -0.185 0.000 1.182 30 Y CB -0.268 38.034 38.460 -0.263 0.000 0.979 30 Y HN 0.125 nan 8.280 nan 0.000 0.521 31 H N -1.441 117.566 119.070 -0.106 0.000 2.436 31 H HA -0.015 4.541 4.556 -0.000 0.000 0.294 31 H C 2.479 177.722 175.328 -0.141 0.000 1.048 31 H CA 1.427 57.355 56.048 -0.200 0.000 1.353 31 H CB -0.282 29.436 29.762 -0.073 0.000 1.414 31 H HN 0.332 nan 8.280 nan 0.000 0.536 32 V N 1.060 120.980 119.914 0.010 0.000 2.427 32 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 32 V C 2.697 178.763 176.094 -0.047 0.000 1.051 32 V CA 1.561 63.855 62.300 -0.010 0.000 1.048 32 V CB -0.811 31.015 31.823 0.005 0.000 0.666 32 V HN 0.425 nan 8.190 nan 0.000 0.456 33 A N -1.042 121.733 122.820 -0.075 0.000 2.016 33 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 33 A C 2.295 179.804 177.584 -0.124 0.000 1.162 33 A CA 1.637 53.625 52.037 -0.081 0.000 0.662 33 A CB -0.258 18.708 19.000 -0.056 0.000 0.812 33 A HN 0.481 nan 8.150 nan 0.000 0.450 34 S N -1.680 113.888 115.700 -0.219 0.000 2.556 34 S HA 0.369 4.839 4.470 -0.000 0.000 0.216 34 S C 1.325 175.841 174.600 -0.140 0.000 0.970 34 S CA 0.643 58.691 58.200 -0.252 0.000 0.912 34 S CB 0.253 63.122 63.200 -0.552 0.000 0.790 34 S HN 1.518 nan 8.310 nan 0.000 0.504 35 G N 2.132 110.876 108.800 -0.094 0.000 2.143 35 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 35 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 35 G C 0.144 175.025 174.900 -0.032 0.000 0.991 35 G CA 0.253 45.322 45.100 -0.052 0.000 0.689 35 G HN 0.454 nan 8.290 nan 0.000 0.522 36 T N 1.031 115.575 114.554 -0.016 0.000 2.933 36 T HA 0.306 4.656 4.350 -0.000 0.000 0.306 36 T C 1.715 176.401 174.700 -0.024 0.000 1.045 36 T CA 0.727 62.832 62.100 0.009 0.000 1.143 36 T CB 1.243 70.163 68.868 0.086 0.000 1.003 36 T HN 0.270 nan 8.240 nan 0.000 0.540 37 S N 1.573 117.251 115.700 -0.036 0.000 2.371 37 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 37 S C 0.909 175.465 174.600 -0.074 0.000 1.029 37 S CA 0.614 58.782 58.200 -0.054 0.000 0.978 37 S CB 0.028 63.199 63.200 -0.048 0.000 0.833 37 S HN 0.987 nan 8.310 nan 0.000 0.466 38 A N -0.149 122.627 122.820 -0.074 0.000 2.566 38 A HA 0.712 5.032 4.320 -0.000 0.000 0.290 38 A C -1.873 175.650 177.584 -0.101 0.000 1.071 38 A CA -0.715 51.276 52.037 -0.077 0.000 0.658 38 A CB 0.654 19.617 19.000 -0.062 0.000 1.285 38 A HN 0.178 nan 8.150 nan 0.000 0.427 39 I N 1.072 121.586 120.570 -0.093 0.000 2.418 39 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 39 I C -0.725 175.339 176.117 -0.087 0.000 1.008 39 I CA -0.913 60.311 61.300 -0.126 0.000 1.104 39 I CB 1.941 39.872 38.000 -0.115 0.000 1.264 39 I HN 0.359 nan 8.210 nan 0.000 0.438 40 V N 5.349 125.206 119.914 -0.095 0.000 2.408 40 V HA 0.149 4.269 4.120 -0.000 0.000 0.267 40 V C 0.425 176.472 176.094 -0.078 0.000 1.047 40 V CA -0.016 62.235 62.300 -0.081 0.000 0.937 40 V CB 1.291 33.059 31.823 -0.092 0.000 0.999 40 V HN 0.744 nan 8.190 nan 0.000 0.472 41 S N 4.117 119.771 115.700 -0.078 0.000 2.429 41 S HA 0.451 4.921 4.470 -0.000 0.000 0.302 41 S C 0.088 174.638 174.600 -0.083 0.000 1.115 41 S CA -0.432 57.721 58.200 -0.077 0.000 1.095 41 S CB 0.719 63.869 63.200 -0.085 0.000 0.987 41 S HN 1.029 nan 8.310 nan 0.000 0.474 42 V N 3.983 123.836 119.914 -0.102 0.000 5.961 42 V HA -0.202 3.918 4.120 -0.000 0.000 0.311 42 V C 1.136 177.160 176.094 -0.117 0.000 0.552 42 V CA 0.992 63.180 62.300 -0.187 0.000 0.641 42 V CB -2.615 28.924 31.823 -0.474 0.000 0.286 42 V HN 0.952 nan 8.190 nan 0.000 0.939 43 G N 0.482 109.258 108.800 -0.041 0.000 2.504 43 G HA2 0.390 4.350 3.960 -0.000 0.000 0.257 43 G HA3 0.390 4.350 3.960 -0.000 0.000 0.257 43 G C 1.021 175.951 174.900 0.050 0.000 1.451 43 G CA 0.503 45.622 45.100 0.032 0.000 1.059 43 G HN 0.431 nan 8.290 nan 0.000 0.550 44 T N 0.183 114.813 114.554 0.126 0.000 2.708 44 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 44 T C 2.590 177.320 174.700 0.050 0.000 1.037 44 T CA 2.037 64.204 62.100 0.111 0.000 1.146 44 T CB -0.548 68.439 68.868 0.198 0.000 0.865 44 T HN 0.409 nan 8.240 nan 0.000 0.435 45 T N 1.042 115.623 114.554 0.045 0.000 2.962 45 T HA 0.030 4.380 4.350 -0.000 0.000 0.270 45 T C 1.957 176.651 174.700 -0.010 0.000 1.088 45 T CA 1.008 63.115 62.100 0.011 0.000 1.127 45 T CB -0.419 68.458 68.868 0.014 0.000 0.883 45 T HN 0.504 nan 8.240 nan 0.000 0.493 46 G N 0.598 109.387 108.800 -0.018 0.000 3.124 46 G HA2 0.148 4.108 3.960 -0.000 0.000 0.212 46 G HA3 0.148 4.108 3.960 -0.000 0.000 0.212 46 G C 0.175 175.043 174.900 -0.054 0.000 1.181 46 G CA -0.262 44.814 45.100 -0.041 0.000 0.803 46 G HN 0.556 nan 8.290 nan 0.000 0.529 47 E N -0.237 119.941 120.200 -0.037 0.000 2.476 47 E HA -0.288 4.062 4.350 -0.000 0.000 0.251 47 E C 1.924 178.492 176.600 -0.053 0.000 1.130 47 E CA 0.252 56.630 56.400 -0.036 0.000 0.736 47 E CB -1.488 28.196 29.700 -0.026 0.000 1.298 47 E HN 0.638 nan 8.360 nan 0.000 0.400 48 S N -0.730 114.927 115.700 -0.071 0.000 2.380 48 S HA -0.317 4.153 4.470 -0.000 0.000 0.229 48 S C 2.174 176.771 174.600 -0.005 0.000 1.043 48 S CA 1.330 59.484 58.200 -0.077 0.000 1.038 48 S CB -0.288 62.899 63.200 -0.023 0.000 0.872 48 S HN 0.566 nan 8.310 nan 0.000 0.456 49 A N 1.992 124.791 122.820 -0.034 0.000 1.917 49 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 49 A C 2.463 180.035 177.584 -0.020 0.000 1.182 49 A CA 2.380 54.384 52.037 -0.054 0.000 0.633 49 A CB -1.438 17.515 19.000 -0.078 0.000 0.819 49 A HN 0.942 nan 8.150 nan 0.000 0.448 50 T N -4.022 110.526 114.554 -0.011 0.000 3.134 50 T HA 0.542 4.892 4.350 -0.000 0.000 0.260 50 T C -0.081 174.628 174.700 0.015 0.000 1.027 50 T CA -0.390 61.709 62.100 -0.002 0.000 0.913 50 T CB -0.051 68.812 68.868 -0.008 0.000 1.046 50 T HN -0.013 nan 8.240 nan 0.000 0.553 51 L N 4.111 125.355 121.223 0.034 0.000 2.295 51 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 51 L C 0.109 177.052 176.870 0.120 0.000 1.035 51 L CA -0.986 53.895 54.840 0.068 0.000 0.806 51 L CB 1.263 43.356 42.059 0.056 0.000 1.214 51 L HN 0.424 nan 8.230 nan 0.000 0.426 52 N N 1.062 119.824 118.700 0.103 0.000 2.424 52 N HA 0.030 4.770 4.740 -0.000 0.000 0.257 52 N C 0.802 176.446 175.510 0.223 0.000 1.250 52 N CA 0.148 53.257 53.050 0.098 0.000 0.946 52 N CB 0.189 38.699 38.487 0.039 0.000 1.175 52 N HN 0.589 nan 8.380 nan 0.000 0.477 53 H N -1.830 117.297 119.070 0.096 0.000 2.521 53 H HA -0.090 4.466 4.556 0.000 0.000 0.286 53 H C 0.315 175.683 175.328 0.066 0.000 1.034 53 H CA 0.742 56.837 56.048 0.079 0.000 1.278 53 H CB 0.344 30.099 29.762 -0.012 0.000 1.386 53 H HN 0.687 nan 8.280 nan 0.000 0.567 54 D N 0.184 120.694 120.400 0.183 0.000 2.162 54 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 54 D C 1.846 178.226 176.300 0.132 0.000 0.964 54 D CA 0.738 54.805 54.000 0.112 0.000 0.847 54 D CB 0.293 41.135 40.800 0.070 0.000 0.988 54 D HN 0.368 nan 8.370 nan 0.000 0.480 55 E N -0.849 119.436 120.200 0.142 0.000 2.077 55 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 55 E C 1.835 178.556 176.600 0.202 0.000 0.989 55 E CA 0.890 57.373 56.400 0.138 0.000 0.800 55 E CB -0.231 29.531 29.700 0.103 0.000 0.746 55 E HN 0.518 nan 8.360 nan 0.000 0.452 56 H N 0.384 119.536 119.070 0.136 0.000 2.265 56 H HA -0.212 4.344 4.556 -0.000 0.000 0.293 56 H C 2.130 177.594 175.328 0.227 0.000 1.089 56 H CA 1.584 57.735 56.048 0.171 0.000 1.244 56 H CB 0.006 29.898 29.762 0.217 0.000 1.355 56 H HN 0.207 nan 8.280 nan 0.000 0.485 57 A N 0.121 123.188 122.820 0.411 0.000 1.940 57 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 57 A C 2.117 179.881 177.584 0.300 0.000 1.176 57 A CA 2.020 54.291 52.037 0.391 0.000 0.631 57 A CB -0.618 18.420 19.000 0.063 0.000 0.814 57 A HN 0.715 nan 8.150 nan 0.000 0.446 58 D N -0.848 119.671 120.400 0.198 0.000 2.183 58 D HA -0.078 4.562 4.640 -0.000 0.000 0.203 58 D C 1.667 178.041 176.300 0.122 0.000 0.969 58 D CA 1.297 55.378 54.000 0.135 0.000 0.842 58 D CB 0.007 40.865 40.800 0.098 0.000 0.957 58 D HN 0.157 nan 8.370 nan 0.000 0.484 59 V N -0.256 119.738 119.914 0.133 0.000 2.379 59 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 59 V C 2.576 178.717 176.094 0.078 0.000 1.044 59 V CA 1.029 63.381 62.300 0.086 0.000 1.036 59 V CB -0.182 31.676 31.823 0.058 0.000 0.664 59 V HN 0.144 nan 8.190 nan 0.000 0.453 60 V N -0.310 119.676 119.914 0.119 0.000 2.287 60 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 60 V C 2.532 178.662 176.094 0.061 0.000 1.053 60 V CA 1.962 64.288 62.300 0.042 0.000 1.027 60 V CB -0.605 31.173 31.823 -0.076 0.000 0.646 60 V HN 0.406 nan 8.190 nan 0.000 0.447 61 M N -1.300 118.377 119.600 0.128 0.000 2.132 61 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 61 M C 2.157 178.497 176.300 0.066 0.000 1.065 61 M CA 1.737 57.100 55.300 0.105 0.000 1.122 61 M CB -1.175 31.496 32.600 0.120 0.000 1.365 61 M HN 0.343 nan 8.290 nan 0.000 0.411 62 M N -0.183 119.455 119.600 0.062 0.000 2.108 62 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 62 M C 1.870 178.190 176.300 0.034 0.000 1.066 62 M CA 1.685 57.012 55.300 0.044 0.000 1.107 62 M CB -0.205 32.421 32.600 0.044 0.000 1.356 62 M HN 0.248 nan 8.290 nan 0.000 0.406 63 T N 1.345 115.917 114.554 0.029 0.000 2.684 63 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 63 T C 1.712 176.419 174.700 0.013 0.000 1.036 63 T CA 1.523 63.632 62.100 0.016 0.000 1.148 63 T CB -0.430 68.438 68.868 -0.000 0.000 0.863 63 T HN 0.377 nan 8.240 nan 0.000 0.436 64 L N 0.714 121.944 121.223 0.012 0.000 2.042 64 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 64 L C 2.561 179.441 176.870 0.018 0.000 1.076 64 L CA 1.573 56.420 54.840 0.013 0.000 0.749 64 L CB -0.472 41.599 42.059 0.021 0.000 0.893 64 L HN 0.265 nan 8.230 nan 0.000 0.432 65 D N -0.039 120.375 120.400 0.025 0.000 2.084 65 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 65 D C 2.261 178.573 176.300 0.020 0.000 0.990 65 D CA 1.364 55.378 54.000 0.023 0.000 0.826 65 D CB -0.053 40.764 40.800 0.027 0.000 0.971 65 D HN 0.167 nan 8.370 nan 0.000 0.453 66 L N -0.000 121.235 121.223 0.021 0.000 2.083 66 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 66 L C 2.557 179.439 176.870 0.021 0.000 1.083 66 L CA 1.096 55.949 54.840 0.021 0.000 0.752 66 L CB -0.458 41.616 42.059 0.026 0.000 0.899 66 L HN 0.079 nan 8.230 nan 0.000 0.433 67 A N -0.872 121.959 122.820 0.018 0.000 1.930 67 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 67 A C 1.227 178.816 177.584 0.009 0.000 1.175 67 A CA 1.356 53.401 52.037 0.015 0.000 0.627 67 A CB -0.347 18.657 19.000 0.008 0.000 0.815 67 A HN 0.539 nan 8.150 nan 0.000 0.443 68 D N -3.337 117.068 120.400 0.009 0.000 2.772 68 D HA -0.131 4.509 4.640 -0.000 0.000 0.233 68 D C 0.896 177.197 176.300 0.002 0.000 1.143 68 D CA 1.924 55.928 54.000 0.007 0.000 0.700 68 D CB -1.608 39.197 40.800 0.008 0.000 1.076 68 D HN 1.501 nan 8.370 nan 0.000 0.430 69 G N -0.594 108.206 108.800 -0.002 0.000 2.179 69 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.260 69 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.260 69 G C 1.156 176.049 174.900 -0.013 0.000 0.977 69 G CA 0.670 45.765 45.100 -0.008 0.000 0.641 69 G HN 0.571 nan 8.290 nan 0.000 0.533 70 R N -0.627 119.867 120.500 -0.009 0.000 2.240 70 R HA 0.521 4.861 4.340 -0.000 0.000 0.203 70 R C 0.968 177.258 176.300 -0.017 0.000 1.011 70 R CA 1.105 57.198 56.100 -0.011 0.000 1.007 70 R CB 0.604 30.902 30.300 -0.003 0.000 0.911 70 R HN 0.574 nan 8.270 nan 0.000 0.468 71 I N 0.788 121.347 120.570 -0.020 0.000 2.710 71 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 71 I C -2.833 173.262 176.117 -0.038 0.000 1.318 71 I CA -2.664 58.618 61.300 -0.030 0.000 1.045 71 I CB 2.462 40.454 38.000 -0.014 0.000 1.307 71 I HN -0.174 nan 8.210 nan 0.000 0.424 72 P HA 0.259 nan 4.420 nan 0.000 0.271 72 P C -1.300 175.973 177.300 -0.044 0.000 1.218 72 P CA -0.232 62.831 63.100 -0.062 0.000 0.780 72 P CB 0.902 32.534 31.700 -0.114 0.000 0.901 73 V N 3.924 123.821 119.914 -0.028 0.000 2.487 73 V HA 0.385 4.505 4.120 -0.000 0.000 0.298 73 V C 0.166 176.250 176.094 -0.017 0.000 1.028 73 V CA -0.481 61.800 62.300 -0.032 0.000 0.860 73 V CB 1.549 33.348 31.823 -0.041 0.000 0.991 73 V HN 0.387 nan 8.190 nan 0.000 0.427 74 I N 3.857 124.415 120.570 -0.020 0.000 2.354 74 I HA 0.651 4.821 4.170 -0.000 0.000 0.292 74 I C 0.567 176.626 176.117 -0.097 0.000 0.989 74 I CA -0.390 60.898 61.300 -0.019 0.000 1.188 74 I CB 1.776 39.790 38.000 0.023 0.000 1.342 74 I HN 0.696 nan 8.210 nan 0.000 0.457 75 A N 4.918 127.638 122.820 -0.167 0.000 2.328 75 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 75 A C 0.554 178.084 177.584 -0.091 0.000 1.160 75 A CA -0.405 51.475 52.037 -0.262 0.000 0.818 75 A CB 0.324 18.885 19.000 -0.731 0.000 1.087 75 A HN 0.854 nan 8.150 nan 0.000 0.504 76 G N 1.223 110.030 108.800 0.012 0.000 2.313 76 G HA2 0.391 4.351 3.960 -0.000 0.000 0.250 76 G HA3 0.391 4.351 3.960 -0.000 0.000 0.250 76 G C 0.687 175.751 174.900 0.273 0.000 1.281 76 G CA 0.615 45.803 45.100 0.147 0.000 0.917 76 G HN 1.315 nan 8.290 nan 0.000 0.501 77 T N -0.298 114.394 114.554 0.231 0.000 3.209 77 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 77 T C 1.010 175.842 174.700 0.220 0.000 0.977 77 T CA 0.249 62.470 62.100 0.202 0.000 0.922 77 T CB 0.342 69.309 68.868 0.165 0.000 1.152 77 T HN 0.758 nan 8.240 nan 0.000 0.527 78 G N 0.937 109.917 108.800 0.299 0.000 2.432 78 G HA2 0.548 4.508 3.960 -0.000 0.000 0.239 78 G HA3 0.548 4.508 3.960 -0.000 0.000 0.239 78 G C -0.217 174.904 174.900 0.368 0.000 1.291 78 G CA 0.023 45.330 45.100 0.344 0.000 0.863 78 G HN 0.942 nan 8.290 nan 0.000 0.560 79 A N 2.059 125.080 122.820 0.334 0.000 2.589 79 A HA 0.581 4.901 4.320 -0.000 0.000 0.296 79 A C 0.511 178.090 177.584 -0.008 0.000 1.062 79 A CA -0.564 51.643 52.037 0.283 0.000 0.686 79 A CB 1.311 20.462 19.000 0.251 0.000 1.282 79 A HN 0.752 nan 8.150 nan 0.000 0.404 80 N N 0.597 119.082 118.700 -0.358 0.000 2.398 80 N HA 0.260 5.000 4.740 -0.000 0.000 0.188 80 N C 0.227 175.568 175.510 -0.282 0.000 1.122 80 N CA 0.778 53.463 53.050 -0.607 0.000 0.866 80 N CB 0.377 38.203 38.487 -1.102 0.000 0.970 80 N HN 0.900 nan 8.380 nan 0.000 0.462 81 A N -0.157 122.603 122.820 -0.100 0.000 2.303 81 A HA 0.546 4.866 4.320 -0.000 0.000 0.320 81 A C 0.947 178.564 177.584 0.054 0.000 1.192 81 A CA -0.583 51.437 52.037 -0.029 0.000 0.821 81 A CB 0.809 19.796 19.000 -0.022 0.000 1.188 81 A HN 0.135 nan 8.150 nan 0.000 0.492 82 T N 2.188 116.787 114.554 0.074 0.000 2.720 82 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 82 T C 2.274 176.920 174.700 -0.090 0.000 1.037 82 T CA 2.187 64.294 62.100 0.011 0.000 1.144 82 T CB -0.283 68.581 68.868 -0.007 0.000 0.864 82 T HN 0.939 nan 8.240 nan 0.000 0.444 83 A N 1.796 124.575 122.820 -0.068 0.000 1.917 83 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 83 A C 2.348 179.899 177.584 -0.055 0.000 1.182 83 A CA 1.518 53.506 52.037 -0.082 0.000 0.633 83 A CB -0.421 18.547 19.000 -0.052 0.000 0.819 83 A HN 0.346 nan 8.150 nan 0.000 0.448 84 E N -0.312 119.888 120.200 0.000 0.000 2.107 84 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 84 E C 2.399 179.032 176.600 0.055 0.000 0.982 84 E CA 1.083 57.524 56.400 0.069 0.000 0.809 84 E CB -0.685 29.097 29.700 0.136 0.000 0.756 84 E HN 0.567 nan 8.360 nan 0.000 0.459 85 A N 1.434 124.271 122.820 0.028 0.000 1.892 85 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 85 A C 2.348 179.887 177.584 -0.075 0.000 1.188 85 A CA 1.439 53.469 52.037 -0.012 0.000 0.631 85 A CB -0.753 18.199 19.000 -0.081 0.000 0.822 85 A HN 0.191 nan 8.150 nan 0.000 0.447 86 I N 0.341 120.833 120.570 -0.131 0.000 2.202 86 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 86 I C 2.901 178.949 176.117 -0.115 0.000 1.091 86 I CA 1.668 62.869 61.300 -0.165 0.000 1.368 86 I CB -0.216 37.591 38.000 -0.322 0.000 1.058 86 I HN 0.537 nan 8.210 nan 0.000 0.410 87 S N 0.741 116.380 115.700 -0.101 0.000 2.428 87 S HA -0.123 4.347 4.470 -0.000 0.000 0.230 87 S C 1.976 176.484 174.600 -0.153 0.000 1.014 87 S CA 0.488 58.632 58.200 -0.094 0.000 0.957 87 S CB -0.526 62.641 63.200 -0.056 0.000 0.784 87 S HN 0.307 nan 8.310 nan 0.000 0.499 88 L N 2.452 123.565 121.223 -0.184 0.000 2.027 88 L HA 0.013 4.353 4.340 -0.000 0.000 0.206 88 L C 2.485 179.200 176.870 -0.259 0.000 1.074 88 L CA 2.171 56.803 54.840 -0.346 0.000 0.745 88 L CB -1.571 40.224 42.059 -0.440 0.000 0.898 88 L HN 0.324 nan 8.230 nan 0.000 0.433 89 T N -0.867 113.640 114.554 -0.077 0.000 2.708 89 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 89 T C 1.815 176.509 174.700 -0.011 0.000 1.037 89 T CA 1.614 63.742 62.100 0.046 0.000 1.146 89 T CB -0.211 68.685 68.868 0.047 0.000 0.865 89 T HN 0.429 nan 8.240 nan 0.000 0.435 90 Q N 0.343 120.101 119.800 -0.069 0.000 2.133 90 Q HA -0.151 4.189 4.340 -0.000 0.000 0.208 90 Q C 2.551 178.463 176.000 -0.148 0.000 0.991 90 Q CA 1.204 56.964 55.803 -0.073 0.000 0.867 90 Q CB -0.130 28.562 28.738 -0.076 0.000 0.911 90 Q HN 0.274 nan 8.270 nan 0.000 0.417 91 R N -0.591 119.711 120.500 -0.330 0.000 2.241 91 R HA -0.099 4.241 4.340 -0.000 0.000 0.224 91 R C 1.025 177.029 176.300 -0.493 0.000 1.101 91 R CA 0.947 56.747 56.100 -0.500 0.000 0.995 91 R CB 0.065 29.898 30.300 -0.778 0.000 0.870 91 R HN 0.282 nan 8.270 nan 0.000 0.463 92 F N -0.245 119.684 119.950 -0.035 0.000 2.682 92 F HA 0.225 4.752 4.527 -0.000 0.000 0.308 92 F C 0.378 176.175 175.800 -0.004 0.000 1.093 92 F CA -1.195 56.794 58.000 -0.018 0.000 1.244 92 F CB -0.218 38.770 39.000 -0.020 0.000 1.052 92 F HN -0.250 nan 8.300 nan 0.000 0.573 93 N N 2.273 121.043 118.700 0.116 0.000 2.217 93 N HA -0.111 4.629 4.740 -0.000 0.000 0.268 93 N C 0.298 175.848 175.510 0.066 0.000 1.290 93 N CA 1.116 54.210 53.050 0.072 0.000 0.831 93 N CB -0.093 38.414 38.487 0.033 0.000 1.057 93 N HN 0.239 nan 8.380 nan 0.000 0.481 94 D N -0.989 119.449 120.400 0.063 0.000 3.090 94 D HA -0.173 4.467 4.640 -0.000 0.000 0.215 94 D C 0.762 177.098 176.300 0.061 0.000 1.140 94 D CA 1.320 55.350 54.000 0.050 0.000 0.937 94 D CB -1.389 39.431 40.800 0.034 0.000 1.108 94 D HN 0.620 nan 8.370 nan 0.000 0.420 95 S N -1.227 114.526 115.700 0.089 0.000 2.458 95 S HA 0.330 4.800 4.470 -0.000 0.000 0.223 95 S C 1.863 176.506 174.600 0.072 0.000 1.019 95 S CA 1.482 59.745 58.200 0.105 0.000 0.937 95 S CB 1.082 64.399 63.200 0.194 0.000 0.788 95 S HN 0.939 nan 8.310 nan 0.000 0.511 96 G N 1.771 110.605 108.800 0.056 0.000 2.218 96 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 96 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 96 G C 0.166 175.081 174.900 0.025 0.000 0.994 96 G CA -0.178 44.944 45.100 0.035 0.000 0.637 96 G HN 1.030 nan 8.290 nan 0.000 0.505 97 I N 0.187 120.771 120.570 0.024 0.000 2.836 97 I HA 0.501 4.671 4.170 -0.000 0.000 0.285 97 I C 1.801 177.939 176.117 0.036 0.000 1.174 97 I CA -0.167 61.134 61.300 0.001 0.000 1.405 97 I CB 1.139 39.103 38.000 -0.060 0.000 1.385 97 I HN 0.349 nan 8.210 nan 0.000 0.594 98 V N 1.685 121.637 119.914 0.062 0.000 3.471 98 V HA 0.621 4.741 4.120 -0.000 0.000 0.258 98 V C 0.823 177.055 176.094 0.231 0.000 1.192 98 V CA 0.769 63.147 62.300 0.130 0.000 1.116 98 V CB -0.935 30.941 31.823 0.088 0.000 0.792 98 V HN 1.193 nan 8.190 nan 0.000 0.459 99 G N -1.649 107.234 108.800 0.139 0.000 2.430 99 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 99 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 99 G C -1.712 173.165 174.900 -0.037 0.000 1.330 99 G CA 0.058 45.171 45.100 0.022 0.000 0.813 99 G HN 0.279 nan 8.290 nan 0.000 0.487 100 C N -0.585 118.666 119.300 -0.082 0.000 2.563 100 C HA 0.766 5.226 4.460 -0.000 0.000 0.314 100 C C -0.414 174.541 174.990 -0.058 0.000 1.199 100 C CA -0.624 58.367 59.018 -0.045 0.000 1.564 100 C CB 0.877 28.625 27.740 0.015 0.000 2.173 100 C HN 0.786 nan 8.230 nan 0.000 0.485 101 L N 2.594 123.812 121.223 -0.009 0.000 2.276 101 L HA 0.624 4.964 4.340 -0.000 0.000 0.286 101 L C 0.087 177.057 176.870 0.167 0.000 1.024 101 L CA 0.568 55.420 54.840 0.020 0.000 0.826 101 L CB 1.120 43.159 42.059 -0.034 0.000 1.211 101 L HN 0.808 nan 8.230 nan 0.000 0.422 102 T N 4.867 119.553 114.554 0.220 0.000 2.833 102 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 102 T C -0.727 174.278 174.700 0.508 0.000 1.015 102 T CA -0.343 61.974 62.100 0.361 0.000 0.963 102 T CB 0.714 69.799 68.868 0.361 0.000 0.955 102 T HN 0.450 nan 8.240 nan 0.000 0.449 103 V N 6.396 126.584 119.914 0.457 0.000 2.881 103 V HA 0.471 4.591 4.120 -0.000 0.000 0.303 103 V C 1.002 177.339 176.094 0.403 0.000 1.070 103 V CA -0.038 62.442 62.300 0.300 0.000 1.074 103 V CB 1.111 32.930 31.823 -0.005 0.000 1.012 103 V HN 1.108 nan 8.190 nan 0.000 0.482 104 T N 5.513 120.282 114.554 0.357 0.000 2.933 104 T HA 0.135 4.485 4.350 -0.000 0.000 0.306 104 T C -2.485 172.198 174.700 -0.028 0.000 1.045 104 T CA -0.812 61.410 62.100 0.203 0.000 1.143 104 T CB 0.284 69.243 68.868 0.153 0.000 1.003 104 T HN 0.649 nan 8.240 nan 0.000 0.540 105 P HA 0.066 nan 4.420 nan 0.000 0.261 105 P C -0.587 176.553 177.300 -0.266 0.000 1.173 105 P CA 0.099 62.914 63.100 -0.476 0.000 0.760 105 P CB -0.161 31.153 31.700 -0.644 0.000 0.783 106 Y N 2.104 122.384 120.300 -0.035 0.000 2.376 106 Y HA 0.414 4.964 4.550 -0.000 0.000 0.325 106 Y C 1.436 177.409 175.900 0.121 0.000 1.199 106 Y CA -1.112 57.002 58.100 0.024 0.000 1.206 106 Y CB 0.272 38.756 38.460 0.040 0.000 1.229 106 Y HN 0.547 nan 8.280 nan 0.000 0.480 107 Y N 1.139 121.495 120.300 0.093 0.000 2.768 107 Y HA -0.454 4.096 4.550 -0.000 0.000 0.480 107 Y C 1.416 177.305 175.900 -0.018 0.000 1.271 107 Y CA 2.292 60.425 58.100 0.055 0.000 2.593 107 Y CB -1.458 37.068 38.460 0.110 0.000 0.968 107 Y HN 0.809 nan 8.280 nan 0.000 0.531 108 N N 1.773 120.491 118.700 0.029 0.000 2.467 108 N HA 0.024 4.764 4.740 -0.000 0.000 0.184 108 N C -0.047 175.401 175.510 -0.104 0.000 1.106 108 N CA 1.108 54.129 53.050 -0.048 0.000 0.892 108 N CB -0.376 38.108 38.487 -0.004 0.000 0.969 108 N HN 0.595 nan 8.380 nan 0.000 0.454 109 R N 0.024 120.460 120.500 -0.107 0.000 3.146 109 R HA -0.096 4.244 4.340 -0.000 0.000 0.250 109 R C -2.029 174.225 176.300 -0.076 0.000 0.912 109 R CA 0.351 56.397 56.100 -0.089 0.000 0.633 109 R CB -2.012 28.230 30.300 -0.098 0.000 1.180 109 R HN 0.474 nan 8.270 nan 0.000 0.464 110 P HA 0.024 nan 4.420 nan 0.000 0.272 110 P C 0.420 177.699 177.300 -0.034 0.000 1.230 110 P CA -0.231 62.827 63.100 -0.070 0.000 0.788 110 P CB 0.653 32.288 31.700 -0.108 0.000 0.949 111 S N 0.831 116.522 115.700 -0.015 0.000 2.617 111 S HA 0.018 4.488 4.470 -0.000 0.000 0.255 111 S C 1.334 175.952 174.600 0.031 0.000 1.318 111 S CA -0.414 57.790 58.200 0.006 0.000 0.978 111 S CB 0.198 63.403 63.200 0.009 0.000 0.961 111 S HN 0.412 nan 8.310 nan 0.000 0.582 112 Q N 0.213 120.039 119.800 0.043 0.000 2.119 112 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 112 Q C 2.070 178.139 176.000 0.115 0.000 0.972 112 Q CA 1.671 57.521 55.803 0.077 0.000 0.847 112 Q CB -0.701 28.070 28.738 0.056 0.000 0.903 112 Q HN 0.907 nan 8.270 nan 0.000 0.433 113 E N 0.551 120.801 120.200 0.083 0.000 2.085 113 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 113 E C 1.955 178.646 176.600 0.152 0.000 0.994 113 E CA 1.647 58.117 56.400 0.116 0.000 0.801 113 E CB -0.717 29.020 29.700 0.062 0.000 0.743 113 E HN 0.380 nan 8.360 nan 0.000 0.453 114 G N 0.618 109.468 108.800 0.084 0.000 2.418 114 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 114 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 114 G C 1.640 176.568 174.900 0.046 0.000 1.158 114 G CA 0.960 46.089 45.100 0.049 0.000 0.771 114 G HN 0.312 nan 8.290 nan 0.000 0.545 115 L N -0.969 120.292 121.223 0.062 0.000 2.042 115 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 115 L C 2.571 179.591 176.870 0.250 0.000 1.076 115 L CA 1.484 56.381 54.840 0.096 0.000 0.749 115 L CB -0.558 41.626 42.059 0.210 0.000 0.893 115 L HN 0.288 nan 8.230 nan 0.000 0.432 116 Y N 0.917 121.314 120.300 0.162 0.000 2.053 116 Y HA -0.333 4.217 4.550 -0.000 0.000 0.277 116 Y C 2.849 178.833 175.900 0.141 0.000 1.159 116 Y CA 1.784 59.986 58.100 0.169 0.000 1.125 116 Y CB -0.253 38.270 38.460 0.104 0.000 0.969 116 Y HN 0.172 nan 8.280 nan 0.000 0.492 117 Q N -0.883 118.951 119.800 0.057 0.000 2.124 117 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 117 Q C 2.169 178.127 176.000 -0.070 0.000 0.977 117 Q CA 1.960 57.739 55.803 -0.040 0.000 0.850 117 Q CB -0.916 27.856 28.738 0.056 0.000 0.901 117 Q HN 0.702 nan 8.270 nan 0.000 0.429 118 H N 0.185 119.155 119.070 -0.166 0.000 2.251 118 H HA -0.167 4.389 4.556 0.000 0.000 0.294 118 H C 1.643 176.820 175.328 -0.251 0.000 1.078 118 H CA 2.170 58.047 56.048 -0.286 0.000 1.246 118 H CB -0.333 29.126 29.762 -0.505 0.000 1.358 118 H HN 0.131 nan 8.280 nan 0.000 0.488 119 F N 0.722 120.645 119.950 -0.045 0.000 2.186 119 F HA -0.021 4.506 4.527 0.000 0.000 0.299 119 F C 2.677 178.380 175.800 -0.161 0.000 1.090 119 F CA 1.379 59.317 58.000 -0.103 0.000 1.307 119 F CB -0.549 38.465 39.000 0.024 0.000 1.019 119 F HN 0.177 nan 8.300 nan 0.000 0.489 120 K N 0.511 120.858 120.400 -0.088 0.000 2.009 120 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 120 K C 2.308 178.865 176.600 -0.072 0.000 1.049 120 K CA 1.466 57.647 56.287 -0.177 0.000 0.929 120 K CB -0.380 31.857 32.500 -0.440 0.000 0.714 120 K HN 0.178 nan 8.250 nan 0.000 0.440 121 A N 1.067 123.839 122.820 -0.080 0.000 1.908 121 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 121 A C 2.102 179.713 177.584 0.045 0.000 1.181 121 A CA 1.668 53.704 52.037 -0.002 0.000 0.627 121 A CB -0.629 18.324 19.000 -0.078 0.000 0.818 121 A HN 0.370 nan 8.150 nan 0.000 0.445 122 I N -0.204 120.316 120.570 -0.083 0.000 2.163 122 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 122 I C 2.926 179.076 176.117 0.055 0.000 1.085 122 I CA 1.251 62.519 61.300 -0.052 0.000 1.347 122 I CB -0.286 37.652 38.000 -0.103 0.000 1.044 122 I HN 0.346 nan 8.210 nan 0.000 0.408 123 A N 0.152 123.003 122.820 0.052 0.000 1.969 123 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 123 A C 2.160 179.771 177.584 0.045 0.000 1.169 123 A CA 1.348 53.414 52.037 0.048 0.000 0.635 123 A CB -0.546 18.476 19.000 0.036 0.000 0.810 123 A HN 0.453 nan 8.150 nan 0.000 0.445 124 E N -1.027 119.207 120.200 0.056 0.000 2.265 124 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 124 E C 0.649 177.203 176.600 -0.078 0.000 0.996 124 E CA 1.061 57.462 56.400 0.001 0.000 0.832 124 E CB -0.164 29.530 29.700 -0.010 0.000 0.756 124 E HN 0.814 nan 8.360 nan 0.000 0.491 125 H N -1.137 117.919 119.070 -0.023 0.000 2.505 125 H HA 0.233 4.789 4.556 0.000 0.000 0.289 125 H C -0.407 174.914 175.328 -0.011 0.000 1.052 125 H CA 0.293 56.328 56.048 -0.021 0.000 1.156 125 H CB 0.932 30.675 29.762 -0.031 0.000 1.507 125 H HN -0.116 nan 8.280 nan 0.000 0.548 126 T N -1.392 113.199 114.554 0.063 0.000 2.840 126 T HA 0.110 4.460 4.350 -0.000 0.000 0.317 126 T C -0.354 174.362 174.700 0.027 0.000 1.401 126 T CA -0.709 61.420 62.100 0.048 0.000 1.028 126 T CB 1.298 70.203 68.868 0.061 0.000 1.317 126 T HN 0.032 nan 8.240 nan 0.000 0.495 127 D N 1.536 121.952 120.400 0.027 0.000 2.360 127 D HA 0.206 4.846 4.640 -0.000 0.000 0.210 127 D C 0.679 176.996 176.300 0.028 0.000 1.047 127 D CA 0.222 54.236 54.000 0.023 0.000 0.854 127 D CB 0.272 41.085 40.800 0.021 0.000 0.936 127 D HN 0.394 nan 8.370 nan 0.000 0.514 128 L N 2.032 123.275 121.223 0.034 0.000 2.426 128 L HA 0.176 4.516 4.340 -0.000 0.000 0.271 128 L C -2.067 174.805 176.870 0.003 0.000 1.169 128 L CA -1.565 53.294 54.840 0.033 0.000 0.836 128 L CB 0.199 42.284 42.059 0.044 0.000 1.112 128 L HN -0.314 nan 8.230 nan 0.000 0.465 129 P HA -0.054 nan 4.420 nan 0.000 0.264 129 P C -1.130 176.071 177.300 -0.165 0.000 1.183 129 P CA 0.142 63.176 63.100 -0.111 0.000 0.763 129 P CB 0.378 31.972 31.700 -0.177 0.000 0.807 130 Q N 2.628 122.327 119.800 -0.169 0.000 2.322 130 Q HA 0.455 4.795 4.340 -0.000 0.000 0.265 130 Q C -0.278 175.576 176.000 -0.243 0.000 0.985 130 Q CA -0.368 55.347 55.803 -0.147 0.000 0.849 130 Q CB 1.659 30.363 28.738 -0.057 0.000 1.274 130 Q HN 0.453 nan 8.270 nan 0.000 0.449 131 I N 3.876 124.297 120.570 -0.248 0.000 2.330 131 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 131 I C 0.213 176.236 176.117 -0.157 0.000 1.025 131 I CA -0.464 60.673 61.300 -0.271 0.000 1.197 131 I CB 0.799 38.607 38.000 -0.319 0.000 1.358 131 I HN 0.321 nan 8.210 nan 0.000 0.467 132 L N 5.861 126.969 121.223 -0.191 0.000 2.482 132 L HA 0.066 4.406 4.340 -0.000 0.000 0.273 132 L C -0.614 176.271 176.870 0.025 0.000 1.228 132 L CA 0.178 54.879 54.840 -0.231 0.000 0.827 132 L CB 0.041 41.887 42.059 -0.355 0.000 1.099 132 L HN 0.475 nan 8.230 nan 0.000 0.494 133 Y N 2.487 122.761 120.300 -0.043 0.000 2.322 133 Y HA 0.358 4.908 4.550 0.000 0.000 0.324 133 Y C -0.930 175.029 175.900 0.099 0.000 1.027 133 Y CA -1.927 56.197 58.100 0.041 0.000 1.179 133 Y CB 1.221 39.725 38.460 0.074 0.000 1.136 133 Y HN 0.562 nan 8.280 nan 0.000 0.449 134 N N 4.182 123.077 118.700 0.325 0.000 2.424 134 N HA 0.520 5.260 4.740 -0.000 0.000 0.271 134 N C -1.766 173.811 175.510 0.113 0.000 0.985 134 N CA -0.194 52.948 53.050 0.152 0.000 0.921 134 N CB 1.541 40.116 38.487 0.147 0.000 1.149 134 N HN 0.409 nan 8.380 nan 0.000 0.492 135 V N 6.896 126.793 119.914 -0.028 0.000 2.811 135 V HA 0.375 4.495 4.120 -0.000 0.000 0.266 135 V C -2.084 173.999 176.094 -0.018 0.000 0.872 135 V CA -1.385 60.903 62.300 -0.020 0.000 0.992 135 V CB 1.392 33.163 31.823 -0.086 0.000 1.016 135 V HN 0.631 nan 8.190 nan 0.000 0.496 136 P HA -0.149 nan 4.420 nan 0.000 0.218 136 P C 1.816 179.125 177.300 0.015 0.000 1.146 136 P CA 2.107 65.217 63.100 0.017 0.000 0.813 136 P CB 0.194 31.909 31.700 0.024 0.000 0.778 137 S N -0.900 114.810 115.700 0.015 0.000 2.447 137 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 137 S C 1.830 176.445 174.600 0.025 0.000 1.006 137 S CA 0.711 58.922 58.200 0.018 0.000 0.957 137 S CB -0.669 62.540 63.200 0.016 0.000 0.773 137 S HN 0.181 nan 8.310 nan 0.000 0.507 138 R N 0.675 121.186 120.500 0.019 0.000 2.206 138 R HA 0.122 4.462 4.340 -0.000 0.000 0.198 138 R C 2.252 178.578 176.300 0.043 0.000 0.986 138 R CA 1.283 57.394 56.100 0.019 0.000 1.029 138 R CB -0.278 30.018 30.300 -0.006 0.000 0.966 138 R HN 0.715 nan 8.270 nan 0.000 0.487 139 T N -3.654 110.929 114.554 0.048 0.000 3.015 139 T HA 0.195 4.545 4.350 -0.000 0.000 0.250 139 T C 1.450 176.193 174.700 0.072 0.000 1.057 139 T CA 0.539 62.701 62.100 0.103 0.000 1.066 139 T CB 0.828 69.743 68.868 0.078 0.000 0.959 139 T HN 0.301 nan 8.240 nan 0.000 0.488 140 G N 0.650 109.469 108.800 0.031 0.000 2.143 140 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.248 140 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.248 140 G C 0.138 175.033 174.900 -0.009 0.000 0.991 140 G CA -0.026 45.073 45.100 -0.001 0.000 0.689 140 G HN 1.071 nan 8.290 nan 0.000 0.522 141 C N 0.204 119.508 119.300 0.007 0.000 2.701 141 C HA 0.691 5.151 4.460 -0.000 0.000 0.336 141 C C -1.424 173.582 174.990 0.028 0.000 1.123 141 C CA -0.723 58.300 59.018 0.008 0.000 1.326 141 C CB 1.954 29.694 27.740 -0.001 0.000 1.833 141 C HN 0.423 nan 8.230 nan 0.000 0.473 142 D N 4.353 124.773 120.400 0.034 0.000 2.462 142 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 142 D C -0.745 175.596 176.300 0.068 0.000 1.122 142 D CA -0.242 53.787 54.000 0.049 0.000 0.864 142 D CB 1.393 42.214 40.800 0.036 0.000 1.098 142 D HN 0.607 nan 8.370 nan 0.000 0.541 143 L N 5.244 126.526 121.223 0.098 0.000 2.456 143 L HA 0.314 4.654 4.340 -0.000 0.000 0.277 143 L C -0.951 175.976 176.870 0.095 0.000 1.124 143 L CA 0.088 55.003 54.840 0.125 0.000 0.880 143 L CB -0.009 42.154 42.059 0.174 0.000 1.192 143 L HN 0.355 nan 8.230 nan 0.000 0.463 144 L N 7.524 128.794 121.223 0.077 0.000 2.399 144 L HA 0.361 4.701 4.340 -0.000 0.000 0.266 144 L C -1.239 175.658 176.870 0.044 0.000 1.114 144 L CA -1.742 53.129 54.840 0.052 0.000 0.804 144 L CB 0.675 42.755 42.059 0.036 0.000 1.146 144 L HN 0.437 nan 8.230 nan 0.000 0.451 145 P HA -0.203 nan 4.420 nan 0.000 0.216 145 P C 0.976 178.269 177.300 -0.011 0.000 1.154 145 P CA 1.297 64.402 63.100 0.008 0.000 0.865 145 P CB 0.236 31.935 31.700 -0.001 0.000 0.789 146 E N -0.919 119.275 120.200 -0.009 0.000 2.119 146 E HA -0.240 4.110 4.350 -0.000 0.000 0.221 146 E C 1.882 178.474 176.600 -0.014 0.000 1.062 146 E CA 2.475 58.864 56.400 -0.019 0.000 0.894 146 E CB -1.139 28.553 29.700 -0.013 0.000 0.785 146 E HN 0.291 nan 8.360 nan 0.000 0.472 147 T N 0.543 115.110 114.554 0.021 0.000 2.857 147 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 147 T C 2.106 176.857 174.700 0.085 0.000 1.048 147 T CA 1.090 63.231 62.100 0.069 0.000 1.139 147 T CB -0.212 68.728 68.868 0.119 0.000 0.874 147 T HN -0.030 nan 8.240 nan 0.000 0.455 148 V N 1.856 121.795 119.914 0.042 0.000 2.332 148 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 148 V C 2.907 178.926 176.094 -0.124 0.000 1.055 148 V CA 1.986 64.279 62.300 -0.013 0.000 1.038 148 V CB -1.560 30.258 31.823 -0.007 0.000 0.651 148 V HN 0.585 nan 8.190 nan 0.000 0.450 149 G N -0.009 108.720 108.800 -0.119 0.000 2.476 149 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 149 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 149 G C 1.734 176.586 174.900 -0.081 0.000 1.164 149 G CA 1.027 46.042 45.100 -0.141 0.000 0.768 149 G HN 0.462 nan 8.290 nan 0.000 0.560 150 R N -0.217 120.270 120.500 -0.021 0.000 2.083 150 R HA 0.035 4.375 4.340 -0.000 0.000 0.237 150 R C 2.680 179.091 176.300 0.185 0.000 1.137 150 R CA 1.171 57.294 56.100 0.037 0.000 0.951 150 R CB -0.551 29.710 30.300 -0.064 0.000 0.851 150 R HN 0.328 nan 8.270 nan 0.000 0.434 151 L N 0.181 121.529 121.223 0.209 0.000 2.141 151 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 151 L C 2.563 179.492 176.870 0.098 0.000 1.094 151 L CA 0.922 55.880 54.840 0.198 0.000 0.763 151 L CB -0.462 41.697 42.059 0.166 0.000 0.908 151 L HN 0.254 nan 8.230 nan 0.000 0.437 152 A N -0.071 122.731 122.820 -0.030 0.000 2.125 152 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 152 A C 2.199 179.791 177.584 0.014 0.000 1.156 152 A CA 1.327 53.312 52.037 -0.087 0.000 0.671 152 A CB -0.330 18.297 19.000 -0.623 0.000 0.794 152 A HN 0.348 nan 8.150 nan 0.000 0.459 153 K N -0.355 120.060 120.400 0.026 0.000 2.365 153 K HA 0.072 4.392 4.320 -0.000 0.000 0.199 153 K C 0.003 176.645 176.600 0.069 0.000 1.045 153 K CA 0.187 56.502 56.287 0.046 0.000 0.962 153 K CB -0.061 32.468 32.500 0.050 0.000 0.759 153 K HN 0.312 nan 8.250 nan 0.000 0.469 154 V N 2.681 122.645 119.914 0.084 0.000 2.572 154 V HA -0.038 4.082 4.120 -0.000 0.000 0.291 154 V C 1.542 177.675 176.094 0.065 0.000 1.039 154 V CA 0.091 62.432 62.300 0.069 0.000 1.055 154 V CB 1.254 33.111 31.823 0.055 0.000 0.969 154 V HN 0.215 nan 8.190 nan 0.000 0.482 155 K N 4.318 124.746 120.400 0.048 0.000 2.034 155 K HA -0.208 4.112 4.320 -0.000 0.000 0.214 155 K C 1.398 178.024 176.600 0.043 0.000 1.051 155 K CA 2.232 58.545 56.287 0.044 0.000 0.931 155 K CB 0.002 32.521 32.500 0.030 0.000 0.715 155 K HN 0.923 nan 8.250 nan 0.000 0.446 156 N N 0.497 119.216 118.700 0.032 0.000 2.268 156 N HA 0.026 4.766 4.740 -0.000 0.000 0.204 156 N C -0.000 175.508 175.510 -0.002 0.000 1.124 156 N CA 0.027 53.085 53.050 0.013 0.000 0.838 156 N CB 0.024 38.516 38.487 0.008 0.000 0.994 156 N HN 0.158 nan 8.380 nan 0.000 0.489 157 I N 1.820 122.412 120.570 0.037 0.000 2.281 157 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 157 I C 0.716 176.895 176.117 0.104 0.000 1.085 157 I CA -0.499 60.832 61.300 0.053 0.000 1.257 157 I CB 0.494 38.555 38.000 0.102 0.000 1.430 157 I HN 0.044 nan 8.210 nan 0.000 0.489 158 I N 2.244 122.730 120.570 -0.139 0.000 4.154 158 I HA 0.619 4.789 4.170 -0.000 0.000 0.334 158 I C 0.639 176.195 176.117 -0.935 0.000 1.371 158 I CA -0.166 60.962 61.300 -0.286 0.000 1.110 158 I CB 0.571 38.437 38.000 -0.223 0.000 1.085 158 I HN 0.428 nan 8.210 nan 0.000 0.398 159 G N 0.530 108.607 108.800 -1.205 0.000 2.451 159 G HA2 0.628 4.588 3.960 -0.000 0.000 0.292 159 G HA3 0.628 4.588 3.960 -0.000 0.000 0.292 159 G C -1.996 172.513 174.900 -0.652 0.000 1.427 159 G CA -0.438 43.876 45.100 -1.311 0.000 0.792 159 G HN 0.145 nan 8.290 nan 0.000 0.498 163 A N 2.341 125.227 122.820 0.110 0.000 2.538 163 A HA 0.123 4.443 4.320 -0.000 0.000 0.269 163 A C 1.464 179.077 177.584 0.049 0.000 1.231 163 A CA 0.787 52.867 52.037 0.070 0.000 0.948 163 A CB -0.119 18.996 19.000 0.191 0.000 1.110 163 A HN 0.508 nan 8.150 nan 0.000 0.529 164 T N -3.554 111.042 114.554 0.070 0.000 2.915 164 T HA 0.193 4.543 4.350 -0.000 0.000 0.269 164 T C 1.751 176.466 174.700 0.025 0.000 1.071 164 T CA 1.435 63.564 62.100 0.049 0.000 1.132 164 T CB -0.472 68.433 68.868 0.062 0.000 0.878 164 T HN 1.647 nan 8.240 nan 0.000 0.479 165 G N 1.590 110.412 108.800 0.037 0.000 2.168 165 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 165 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 165 G C 0.035 174.963 174.900 0.046 0.000 0.977 165 G CA 0.153 45.269 45.100 0.026 0.000 0.659 165 G HN 0.825 nan 8.290 nan 0.000 0.533 166 N N 0.539 119.276 118.700 0.061 0.000 2.437 166 N HA 0.466 5.206 4.740 -0.000 0.000 0.243 166 N C 1.469 177.010 175.510 0.052 0.000 1.041 166 N CA -0.464 52.613 53.050 0.045 0.000 0.940 166 N CB 0.516 39.025 38.487 0.035 0.000 1.133 166 N HN 0.208 nan 8.380 nan 0.000 0.506 167 L N 1.909 123.146 121.223 0.024 0.000 2.418 167 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 167 L C 2.159 178.985 176.870 -0.072 0.000 1.125 167 L CA 0.817 55.650 54.840 -0.012 0.000 0.835 167 L CB -0.375 41.671 42.059 -0.022 0.000 0.953 167 L HN 0.600 nan 8.230 nan 0.000 0.454 168 T N -3.146 111.382 114.554 -0.044 0.000 2.977 168 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 168 T C 1.976 176.643 174.700 -0.056 0.000 1.105 168 T CA 0.548 62.616 62.100 -0.052 0.000 1.116 168 T CB -0.176 68.673 68.868 -0.032 0.000 0.878 168 T HN 0.187 nan 8.240 nan 0.000 0.509 169 R N 0.761 121.238 120.500 -0.038 0.000 2.148 169 R HA 0.109 4.449 4.340 -0.000 0.000 0.223 169 R C 2.502 178.759 176.300 -0.070 0.000 1.088 169 R CA 0.734 56.824 56.100 -0.017 0.000 0.985 169 R CB -1.176 29.154 30.300 0.051 0.000 0.880 169 R HN 0.418 nan 8.270 nan 0.000 0.451 170 V N 2.288 122.079 119.914 -0.204 0.000 2.231 170 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 170 V C 1.897 177.882 176.094 -0.182 0.000 1.058 170 V CA 2.023 64.112 62.300 -0.352 0.000 1.022 170 V CB -0.451 31.000 31.823 -0.621 0.000 0.640 170 V HN 0.358 nan 8.190 nan 0.000 0.445 171 N N -0.900 117.711 118.700 -0.148 0.000 2.424 171 N HA -0.046 4.694 4.740 -0.000 0.000 0.178 171 N C 1.899 177.373 175.510 -0.060 0.000 1.060 171 N CA 0.498 53.490 53.050 -0.095 0.000 0.901 171 N CB 0.088 38.520 38.487 -0.092 0.000 0.979 171 N HN 0.618 nan 8.380 nan 0.000 0.451 172 Q N 0.594 120.362 119.800 -0.054 0.000 2.079 172 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 172 Q C 1.961 177.941 176.000 -0.033 0.000 0.974 172 Q CA 0.984 56.765 55.803 -0.036 0.000 0.840 172 Q CB 0.089 28.811 28.738 -0.026 0.000 0.898 172 Q HN 0.362 nan 8.270 nan 0.000 0.430 173 I N 0.691 121.247 120.570 -0.024 0.000 2.163 173 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 173 I C 2.496 178.596 176.117 -0.029 0.000 1.081 173 I CA 1.026 62.315 61.300 -0.019 0.000 1.353 173 I CB -0.248 37.780 38.000 0.046 0.000 1.054 173 I HN 0.114 nan 8.210 nan 0.000 0.407 174 K N 1.017 121.415 120.400 -0.004 0.000 2.113 174 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 174 K C 1.913 178.507 176.600 -0.010 0.000 1.047 174 K CA 1.533 57.829 56.287 0.015 0.000 0.928 174 K CB 0.006 32.513 32.500 0.012 0.000 0.716 174 K HN 0.245 nan 8.250 nan 0.000 0.446 175 E N 0.348 120.533 120.200 -0.026 0.000 2.265 175 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 175 E C 1.714 178.289 176.600 -0.041 0.000 0.996 175 E CA 0.880 57.263 56.400 -0.029 0.000 0.832 175 E CB 0.083 29.765 29.700 -0.030 0.000 0.756 175 E HN 0.451 nan 8.360 nan 0.000 0.491 176 L N 0.323 121.508 121.223 -0.063 0.000 2.616 176 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 176 L C 0.749 177.543 176.870 -0.127 0.000 1.110 176 L CA -0.163 54.625 54.840 -0.086 0.000 0.884 176 L CB 0.625 42.628 42.059 -0.094 0.000 1.115 176 L HN -0.113 nan 8.230 nan 0.000 0.481 177 V N -4.417 115.416 119.914 -0.136 0.000 3.074 177 V HA 0.659 4.779 4.120 -0.000 0.000 0.314 177 V C 0.271 176.330 176.094 -0.058 0.000 1.117 177 V CA -0.873 61.311 62.300 -0.193 0.000 1.014 177 V CB 1.597 33.143 31.823 -0.463 0.000 1.057 177 V HN 0.129 nan 8.190 nan 0.000 0.438 178 S N 0.284 115.974 115.700 -0.018 0.000 2.600 178 S HA 0.175 4.645 4.470 -0.000 0.000 0.265 178 S C 0.571 175.221 174.600 0.083 0.000 1.325 178 S CA 0.231 58.454 58.200 0.038 0.000 1.002 178 S CB 0.641 63.870 63.200 0.048 0.000 0.921 178 S HN 0.815 nan 8.310 nan 0.000 0.554 179 D N 1.077 121.519 120.400 0.069 0.000 2.263 179 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 179 D C 1.088 177.429 176.300 0.068 0.000 0.971 179 D CA 1.644 55.691 54.000 0.079 0.000 0.867 179 D CB -0.453 40.383 40.800 0.060 0.000 0.929 179 D HN 0.894 nan 8.370 nan 0.000 0.492 180 D N -0.895 119.545 120.400 0.066 0.000 2.350 180 D HA -0.069 4.571 4.640 -0.000 0.000 0.213 180 D C 0.458 176.781 176.300 0.037 0.000 1.031 180 D CA -0.428 53.588 54.000 0.027 0.000 0.861 180 D CB -0.570 40.247 40.800 0.028 0.000 0.926 180 D HN 0.024 nan 8.370 nan 0.000 0.520 181 F N 2.460 122.380 119.950 -0.049 0.000 2.578 181 F HA 0.147 4.674 4.527 -0.000 0.000 0.381 181 F C 0.450 176.201 175.800 -0.082 0.000 1.069 181 F CA -0.863 57.111 58.000 -0.043 0.000 1.231 181 F CB 0.674 39.673 39.000 -0.002 0.000 1.086 181 F HN -0.086 nan 8.300 nan 0.000 0.564 182 V N 6.350 126.033 119.914 -0.385 0.000 2.498 182 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 182 V C -0.533 175.577 176.094 0.026 0.000 1.048 182 V CA -0.887 61.278 62.300 -0.224 0.000 0.967 182 V CB 1.156 32.869 31.823 -0.183 0.000 0.988 182 V HN 0.631 nan 8.190 nan 0.000 0.473 183 L N 6.027 127.543 121.223 0.489 0.000 2.280 183 L HA 0.617 4.957 4.340 -0.000 0.000 0.287 183 L C -0.468 176.683 176.870 0.468 0.000 1.023 183 L CA -0.261 54.857 54.840 0.464 0.000 0.819 183 L CB 1.137 43.462 42.059 0.443 0.000 1.212 183 L HN 0.537 nan 8.230 nan 0.000 0.420 184 L N 2.134 123.473 121.223 0.194 0.000 2.346 184 L HA 0.465 4.805 4.340 -0.000 0.000 0.276 184 L C 0.441 176.967 176.870 -0.573 0.000 1.006 184 L CA -0.399 54.387 54.840 -0.090 0.000 0.817 184 L CB 2.064 44.068 42.059 -0.092 0.000 1.272 184 L HN 0.566 nan 8.230 nan 0.000 0.421 185 S N 1.108 116.206 115.700 -1.003 0.000 2.549 185 S HA 0.349 4.819 4.470 -0.000 0.000 0.279 185 S C 0.786 175.081 174.600 -0.508 0.000 1.321 185 S CA -0.065 57.434 58.200 -1.168 0.000 1.054 185 S CB 0.864 63.489 63.200 -0.957 0.000 0.899 185 S HN 0.806 nan 8.310 nan 0.000 0.497 186 G N 2.600 111.188 108.800 -0.355 0.000 3.899 186 G HA2 0.284 4.244 3.960 -0.000 0.000 0.293 186 G HA3 0.284 4.244 3.960 -0.000 0.000 0.293 186 G C -0.624 174.196 174.900 -0.133 0.000 1.054 186 G CA -0.381 44.601 45.100 -0.196 0.000 0.846 186 G HN 0.701 nan 8.290 nan 0.000 0.525 187 D N -0.442 119.839 120.400 -0.197 0.000 2.358 187 D HA 0.202 4.842 4.640 -0.000 0.000 0.253 187 D C 0.734 176.898 176.300 -0.226 0.000 1.288 187 D CA -0.511 53.373 54.000 -0.193 0.000 0.950 187 D CB 1.020 41.725 40.800 -0.158 0.000 1.197 187 D HN -0.105 nan 8.370 nan 0.000 0.550 188 D N 2.413 122.679 120.400 -0.224 0.000 2.116 188 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 188 D C 1.807 177.767 176.300 -0.567 0.000 0.998 188 D CA 1.352 55.132 54.000 -0.367 0.000 0.836 188 D CB 0.201 40.857 40.800 -0.240 0.000 0.951 188 D HN 0.554 nan 8.370 nan 0.000 0.449 189 A N 0.800 123.414 122.820 -0.342 0.000 2.024 189 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 189 A C 2.095 179.603 177.584 -0.126 0.000 1.164 189 A CA 1.989 53.911 52.037 -0.191 0.000 0.643 189 A CB -0.158 18.800 19.000 -0.070 0.000 0.806 189 A HN 0.313 nan 8.150 nan 0.000 0.451 190 S N -1.933 113.694 115.700 -0.123 0.000 2.593 190 S HA 0.583 5.053 4.470 -0.000 0.000 0.236 190 S C 1.392 175.985 174.600 -0.010 0.000 0.991 190 S CA 0.484 58.660 58.200 -0.041 0.000 0.963 190 S CB 0.317 63.514 63.200 -0.005 0.000 0.865 190 S HN 0.675 nan 8.310 nan 0.000 0.488 191 A N 1.855 124.620 122.820 -0.092 0.000 1.929 191 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 191 A C 2.002 179.615 177.584 0.047 0.000 1.176 191 A CA 1.133 53.126 52.037 -0.074 0.000 0.628 191 A CB -0.645 18.253 19.000 -0.170 0.000 0.816 191 A HN 0.513 nan 8.150 nan 0.000 0.444 192 L N 0.155 121.402 121.223 0.040 0.000 2.046 192 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 192 L C 1.615 178.520 176.870 0.058 0.000 1.077 192 L CA 2.390 57.282 54.840 0.086 0.000 0.747 192 L CB -0.636 41.488 42.059 0.108 0.000 0.896 192 L HN 0.315 nan 8.230 nan 0.000 0.432 193 D N -0.841 119.579 120.400 0.033 0.000 2.123 193 D HA -0.262 4.378 4.640 -0.000 0.000 0.196 193 D C 2.034 178.334 176.300 0.001 0.000 0.992 193 D CA 1.564 55.553 54.000 -0.018 0.000 0.833 193 D CB -0.399 40.397 40.800 -0.006 0.000 0.954 193 D HN 0.384 nan 8.370 nan 0.000 0.455 194 F N 1.042 120.944 119.950 -0.079 0.000 2.065 194 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 194 F C 2.461 178.211 175.800 -0.083 0.000 1.112 194 F CA 1.547 59.504 58.000 -0.071 0.000 1.212 194 F CB -0.267 38.702 39.000 -0.052 0.000 0.975 194 F HN -0.131 nan 8.300 nan 0.000 0.476 195 M N -0.423 119.336 119.600 0.265 0.000 2.159 195 M HA -0.259 4.221 4.480 -0.000 0.000 0.263 195 M C 2.311 178.616 176.300 0.009 0.000 1.063 195 M CA 1.951 57.343 55.300 0.153 0.000 1.110 195 M CB -0.607 32.108 32.600 0.192 0.000 1.374 195 M HN 0.315 nan 8.290 nan 0.000 0.411 196 Q N 0.847 120.554 119.800 -0.155 0.000 2.224 196 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 196 Q C 1.689 177.432 176.000 -0.429 0.000 0.970 196 Q CA 1.100 56.522 55.803 -0.635 0.000 0.865 196 Q CB -0.006 28.170 28.738 -0.938 0.000 0.922 196 Q HN 0.534 nan 8.270 nan 0.000 0.445 197 L N -1.455 119.597 121.223 -0.285 0.000 2.492 197 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 197 L C 1.218 177.951 176.870 -0.227 0.000 1.132 197 L CA 0.705 55.395 54.840 -0.250 0.000 0.850 197 L CB 0.340 42.239 42.059 -0.267 0.000 0.966 197 L HN 0.530 nan 8.230 nan 0.000 0.454 198 G N -1.176 107.489 108.800 -0.224 0.000 2.559 198 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.202 198 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.202 198 G C 0.516 175.202 174.900 -0.357 0.000 0.992 198 G CA -0.439 44.533 45.100 -0.214 0.000 0.764 198 G HN 0.381 nan 8.290 nan 0.000 0.525 199 G N -0.664 107.956 108.800 -0.301 0.000 2.614 199 G HA2 0.438 4.398 3.960 -0.000 0.000 0.239 199 G HA3 0.438 4.398 3.960 -0.000 0.000 0.239 199 G C 0.341 175.125 174.900 -0.193 0.000 1.240 199 G CA 0.125 45.168 45.100 -0.096 0.000 0.842 199 G HN 0.406 nan 8.290 nan 0.000 0.584 200 H N -0.388 118.818 119.070 0.227 0.000 2.622 200 H HA 0.406 4.962 4.556 -0.000 0.000 0.269 200 H C 1.293 176.683 175.328 0.104 0.000 0.977 200 H CA 0.741 56.870 56.048 0.135 0.000 1.179 200 H CB 0.934 30.757 29.762 0.102 0.000 1.458 200 H HN 0.877 nan 8.280 nan 0.000 0.531 201 G N -0.623 108.275 108.800 0.165 0.000 2.344 201 G HA2 0.290 4.250 3.960 -0.000 0.000 0.282 201 G HA3 0.290 4.250 3.960 -0.000 0.000 0.282 201 G C -1.935 172.959 174.900 -0.010 0.000 1.281 201 G CA -0.107 45.042 45.100 0.081 0.000 0.877 201 G HN 0.128 nan 8.290 nan 0.000 0.494 202 V N 0.103 119.989 119.914 -0.047 0.000 2.808 202 V HA 0.677 4.797 4.120 -0.000 0.000 0.308 202 V C -0.911 175.120 176.094 -0.105 0.000 1.099 202 V CA -0.875 61.349 62.300 -0.127 0.000 0.920 202 V CB 1.590 33.348 31.823 -0.109 0.000 1.014 202 V HN 0.748 nan 8.190 nan 0.000 0.425 203 I N 5.822 126.302 120.570 -0.151 0.000 2.291 203 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 203 I C 0.308 176.361 176.117 -0.106 0.000 1.064 203 I CA 0.397 61.616 61.300 -0.135 0.000 1.269 203 I CB 1.375 39.258 38.000 -0.195 0.000 1.418 203 I HN 0.630 nan 8.210 nan 0.000 0.485 204 S N 4.850 120.518 115.700 -0.053 0.000 2.473 204 S HA 0.428 4.898 4.470 -0.000 0.000 0.307 204 S C 0.677 175.305 174.600 0.047 0.000 1.094 204 S CA -0.728 57.473 58.200 0.001 0.000 1.070 204 S CB 1.802 65.018 63.200 0.026 0.000 1.019 204 S HN 0.353 nan 8.310 nan 0.000 0.480 205 V N 4.529 124.507 119.914 0.107 0.000 2.379 205 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 205 V C 2.523 178.706 176.094 0.148 0.000 1.035 205 V CA 2.092 64.470 62.300 0.130 0.000 1.035 205 V CB -1.175 30.767 31.823 0.199 0.000 0.673 205 V HN 0.952 nan 8.190 nan 0.000 0.457 206 T N 1.228 115.905 114.554 0.205 0.000 2.685 206 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 206 T C 2.014 176.827 174.700 0.189 0.000 1.034 206 T CA 1.771 64.004 62.100 0.222 0.000 1.149 206 T CB -0.543 68.536 68.868 0.352 0.000 0.860 206 T HN 0.561 nan 8.240 nan 0.000 0.449 207 A N 2.085 125.012 122.820 0.178 0.000 2.139 207 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 207 A C 2.219 179.996 177.584 0.321 0.000 1.159 207 A CA 1.292 53.450 52.037 0.202 0.000 0.662 207 A CB -0.662 18.421 19.000 0.138 0.000 0.796 207 A HN 0.470 nan 8.150 nan 0.000 0.463 208 N N -0.216 118.642 118.700 0.262 0.000 2.205 208 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 208 N C 1.555 177.231 175.510 0.277 0.000 1.015 208 N CA 2.251 55.483 53.050 0.303 0.000 0.862 208 N CB -0.004 38.575 38.487 0.155 0.000 0.986 208 N HN 0.624 nan 8.380 nan 0.000 0.429 209 V N -4.360 115.675 119.914 0.203 0.000 3.562 209 V HA 0.527 4.647 4.120 -0.000 0.000 0.270 209 V C 0.852 177.056 176.094 0.183 0.000 1.418 209 V CA 0.275 62.638 62.300 0.105 0.000 1.033 209 V CB 0.447 32.288 31.823 0.030 0.000 0.820 209 V HN 0.069 nan 8.190 nan 0.000 0.441 210 A N 0.340 123.279 122.820 0.199 0.000 3.041 210 A HA 0.874 5.194 4.320 -0.000 0.000 0.307 210 A C 1.610 179.279 177.584 0.142 0.000 1.116 210 A CA 0.482 52.613 52.037 0.157 0.000 1.001 210 A CB 0.064 19.126 19.000 0.104 0.000 1.112 210 A HN 0.743 nan 8.150 nan 0.000 0.556 211 A N 0.862 123.770 122.820 0.145 0.000 1.883 211 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 211 A C 2.142 179.702 177.584 -0.041 0.000 1.186 211 A CA 1.855 53.892 52.037 -0.002 0.000 0.624 211 A CB -0.391 18.399 19.000 -0.351 0.000 0.822 211 A HN 0.659 nan 8.150 nan 0.000 0.444 212 R N -0.648 119.814 120.500 -0.063 0.000 2.075 212 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 212 R C 1.491 177.793 176.300 0.003 0.000 1.126 212 R CA 1.784 57.858 56.100 -0.044 0.000 0.963 212 R CB -0.374 29.902 30.300 -0.039 0.000 0.858 212 R HN 0.391 nan 8.270 nan 0.000 0.435 213 D N 0.142 120.558 120.400 0.028 0.000 2.117 213 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 213 D C 1.904 178.240 176.300 0.060 0.000 0.987 213 D CA 1.140 55.166 54.000 0.044 0.000 0.829 213 D CB -0.031 40.800 40.800 0.051 0.000 0.961 213 D HN 0.208 nan 8.370 nan 0.000 0.460 214 M N 0.528 120.171 119.600 0.072 0.000 2.086 214 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 214 M C 2.292 178.628 176.300 0.061 0.000 1.067 214 M CA 0.890 56.243 55.300 0.088 0.000 1.116 214 M CB -1.178 31.484 32.600 0.104 0.000 1.348 214 M HN -0.033 nan 8.290 nan 0.000 0.407 215 A N -0.404 122.438 122.820 0.037 0.000 1.883 215 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 215 A C 2.113 179.712 177.584 0.025 0.000 1.186 215 A CA 2.171 54.221 52.037 0.021 0.000 0.624 215 A CB -0.837 18.162 19.000 -0.002 0.000 0.822 215 A HN 0.519 nan 8.150 nan 0.000 0.444 216 Q N -0.555 119.260 119.800 0.026 0.000 2.084 216 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 216 Q C 2.065 178.093 176.000 0.045 0.000 0.978 216 Q CA 2.247 58.067 55.803 0.030 0.000 0.844 216 Q CB -0.405 28.348 28.738 0.025 0.000 0.898 216 Q HN 0.665 nan 8.270 nan 0.000 0.426 217 M N -0.938 118.698 119.600 0.060 0.000 2.108 217 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 217 M C 1.802 178.150 176.300 0.080 0.000 1.066 217 M CA 1.858 57.206 55.300 0.080 0.000 1.107 217 M CB -0.219 32.442 32.600 0.103 0.000 1.356 217 M HN 0.441 nan 8.290 nan 0.000 0.406 218 C N 0.192 119.533 119.300 0.069 0.000 2.450 218 C HA -0.085 4.375 4.460 -0.000 0.000 0.279 218 C C 2.651 177.670 174.990 0.048 0.000 1.335 218 C CA 1.055 60.113 59.018 0.067 0.000 1.749 218 C CB -0.980 26.793 27.740 0.055 0.000 1.963 218 C HN 0.605 nan 8.230 nan 0.000 0.501 219 K N 0.831 121.251 120.400 0.033 0.000 2.057 219 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 219 K C 1.867 178.467 176.600 0.001 0.000 1.050 219 K CA 1.240 57.536 56.287 0.017 0.000 0.935 219 K CB -0.212 32.298 32.500 0.017 0.000 0.715 219 K HN 0.422 nan 8.250 nan 0.000 0.439 220 L N 0.532 121.768 121.223 0.021 0.000 2.046 220 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 220 L C 2.638 179.432 176.870 -0.127 0.000 1.077 220 L CA 1.329 56.176 54.840 0.013 0.000 0.747 220 L CB -0.558 41.541 42.059 0.066 0.000 0.896 220 L HN 0.297 nan 8.230 nan 0.000 0.432 221 A N -0.030 122.767 122.820 -0.039 0.000 1.902 221 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 221 A C 2.523 180.062 177.584 -0.075 0.000 1.181 221 A CA 1.630 53.667 52.037 0.000 0.000 0.623 221 A CB -0.726 18.411 19.000 0.228 0.000 0.818 221 A HN 0.393 nan 8.150 nan 0.000 0.443 222 A N -0.311 122.487 122.820 -0.037 0.000 1.972 222 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 222 A C 1.826 179.322 177.584 -0.147 0.000 1.169 222 A CA 1.672 53.687 52.037 -0.036 0.000 0.635 222 A CB -0.414 18.588 19.000 0.003 0.000 0.810 222 A HN 0.644 nan 8.150 nan 0.000 0.446 223 E N -1.984 118.050 120.200 -0.277 0.000 2.442 223 E HA 0.263 4.613 4.350 -0.000 0.000 0.195 223 E C 1.113 177.243 176.600 -0.785 0.000 1.030 223 E CA 0.339 56.467 56.400 -0.453 0.000 0.869 223 E CB 0.025 29.459 29.700 -0.442 0.000 0.857 223 E HN 0.731 nan 8.360 nan 0.000 0.505 224 G N 1.533 109.810 108.800 -0.872 0.000 2.141 224 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.231 224 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.231 224 G C -0.137 174.043 174.900 -1.199 0.000 0.984 224 G CA -0.258 44.137 45.100 -1.175 0.000 0.660 224 G HN 0.292 nan 8.290 nan 0.000 0.525 225 H N 0.428 119.092 119.070 -0.677 0.000 2.680 225 H HA 0.450 5.006 4.556 -0.000 0.000 0.224 225 H C 1.181 176.350 175.328 -0.264 0.000 1.866 225 H CA -1.121 54.713 56.048 -0.357 0.000 1.302 225 H CB -0.560 29.092 29.762 -0.182 0.000 1.709 225 H HN 0.286 nan 8.280 nan 0.000 0.537 226 F N 0.893 120.901 119.950 0.097 0.000 2.206 226 F HA -0.069 4.458 4.527 0.000 0.000 0.298 226 F C 2.503 178.342 175.800 0.066 0.000 1.090 226 F CA 0.870 58.908 58.000 0.063 0.000 1.323 226 F CB -0.575 38.447 39.000 0.037 0.000 1.028 226 F HN 0.461 nan 8.300 nan 0.000 0.492 227 A N 0.217 123.170 122.820 0.222 0.000 1.883 227 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 227 A C 2.067 179.714 177.584 0.106 0.000 1.186 227 A CA 2.018 54.139 52.037 0.140 0.000 0.624 227 A CB -0.759 18.302 19.000 0.103 0.000 0.822 227 A HN 0.327 nan 8.150 nan 0.000 0.444 228 E N 0.004 120.258 120.200 0.089 0.000 2.072 228 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 228 E C 2.221 178.870 176.600 0.082 0.000 0.985 228 E CA 1.247 57.685 56.400 0.064 0.000 0.801 228 E CB -0.486 29.235 29.700 0.035 0.000 0.750 228 E HN 0.574 nan 8.360 nan 0.000 0.452 229 A N 0.735 123.621 122.820 0.110 0.000 1.933 229 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 229 A C 2.127 179.790 177.584 0.132 0.000 1.175 229 A CA 1.688 53.800 52.037 0.125 0.000 0.628 229 A CB -0.403 18.694 19.000 0.162 0.000 0.814 229 A HN 0.077 nan 8.150 nan 0.000 0.444 230 R N -0.717 119.867 120.500 0.140 0.000 2.115 230 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 230 R C 1.964 178.324 176.300 0.100 0.000 1.111 230 R CA 1.310 57.484 56.100 0.124 0.000 0.976 230 R CB -0.355 30.016 30.300 0.119 0.000 0.870 230 R HN 0.354 nan 8.270 nan 0.000 0.445 231 V N 0.978 120.943 119.914 0.085 0.000 2.287 231 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 231 V C 2.173 178.308 176.094 0.068 0.000 1.053 231 V CA 1.997 64.337 62.300 0.067 0.000 1.027 231 V CB -0.375 31.478 31.823 0.049 0.000 0.646 231 V HN 0.312 nan 8.190 nan 0.000 0.447 232 I N 0.244 120.856 120.570 0.071 0.000 2.163 232 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 232 I C 2.499 178.666 176.117 0.084 0.000 1.085 232 I CA 2.105 63.447 61.300 0.070 0.000 1.347 232 I CB -0.667 37.376 38.000 0.072 0.000 1.044 232 I HN 0.418 nan 8.210 nan 0.000 0.408 233 N N 0.424 119.193 118.700 0.114 0.000 2.094 233 N HA -0.240 4.500 4.740 -0.000 0.000 0.191 233 N C 1.907 177.484 175.510 0.113 0.000 1.023 233 N CA 1.254 54.396 53.050 0.152 0.000 0.857 233 N CB 0.091 38.684 38.487 0.177 0.000 1.013 233 N HN 0.378 nan 8.380 nan 0.000 0.426 234 Q N 0.608 120.471 119.800 0.106 0.000 2.224 234 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 234 Q C 1.933 178.029 176.000 0.160 0.000 0.970 234 Q CA 0.865 56.735 55.803 0.111 0.000 0.865 234 Q CB -0.154 28.646 28.738 0.105 0.000 0.922 234 Q HN 0.448 nan 8.270 nan 0.000 0.445 235 R N -0.058 120.526 120.500 0.141 0.000 2.090 235 R HA 0.026 4.366 4.340 -0.000 0.000 0.228 235 R C 2.174 178.569 176.300 0.157 0.000 1.110 235 R CA 0.657 56.872 56.100 0.191 0.000 0.973 235 R CB -0.064 30.279 30.300 0.072 0.000 0.869 235 R HN 0.211 nan 8.270 nan 0.000 0.440 236 L N 0.003 121.213 121.223 -0.021 0.000 2.492 236 L HA 0.000 4.340 4.340 -0.000 0.000 0.223 236 L C 2.187 178.772 176.870 -0.476 0.000 1.132 236 L CA -0.036 54.648 54.840 -0.259 0.000 0.850 236 L CB -0.104 41.730 42.059 -0.375 0.000 0.966 236 L HN 0.165 nan 8.230 nan 0.000 0.454 237 M N 1.129 120.602 119.600 -0.212 0.000 2.099 237 M HA -0.034 4.446 4.480 -0.000 0.000 0.262 237 M C -0.734 175.528 176.300 -0.063 0.000 1.067 237 M CA 1.924 57.184 55.300 -0.067 0.000 1.124 237 M CB -1.188 31.436 32.600 0.040 0.000 1.353 237 M HN -0.109 nan 8.290 nan 0.000 0.410 238 P HA -0.176 nan 4.420 nan 0.000 0.216 238 P C 1.722 178.998 177.300 -0.040 0.000 1.153 238 P CA 1.132 64.144 63.100 -0.146 0.000 0.858 238 P CB -0.254 31.251 31.700 -0.325 0.000 0.789 239 L N -1.232 119.957 121.223 -0.056 0.000 2.046 239 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 239 L C 2.337 179.276 176.870 0.115 0.000 1.077 239 L CA 2.005 56.852 54.840 0.011 0.000 0.747 239 L CB -1.550 40.490 42.059 -0.032 0.000 0.896 239 L HN 0.083 nan 8.230 nan 0.000 0.432 240 H N -0.375 118.751 119.070 0.093 0.000 2.319 240 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 240 H C 2.116 177.538 175.328 0.157 0.000 1.097 240 H CA 1.988 58.106 56.048 0.117 0.000 1.285 240 H CB -0.595 29.205 29.762 0.064 0.000 1.368 240 H HN 0.516 nan 8.280 nan 0.000 0.495 241 N N 0.218 119.056 118.700 0.231 0.000 2.109 241 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 241 N C 1.759 177.395 175.510 0.209 0.000 1.034 241 N CA 0.636 53.791 53.050 0.175 0.000 0.846 241 N CB 0.199 38.740 38.487 0.089 0.000 1.010 241 N HN 0.051 nan 8.380 nan 0.000 0.425 242 K N 1.074 121.559 120.400 0.142 0.000 2.365 242 K HA 0.057 4.377 4.320 -0.000 0.000 0.199 242 K C 1.563 178.225 176.600 0.103 0.000 1.045 242 K CA 0.393 56.741 56.287 0.102 0.000 0.962 242 K CB -0.338 32.194 32.500 0.054 0.000 0.759 242 K HN 0.308 nan 8.250 nan 0.000 0.469 243 L N -0.255 121.054 121.223 0.144 0.000 2.549 243 L HA -0.062 4.278 4.340 -0.000 0.000 0.230 243 L C 0.708 177.431 176.870 -0.245 0.000 1.162 243 L CA 0.799 55.644 54.840 0.009 0.000 0.834 243 L CB -0.254 41.832 42.059 0.044 0.000 0.947 243 L HN 0.023 nan 8.230 nan 0.000 0.452 244 F N -2.891 117.086 119.950 0.045 0.000 2.764 244 F HA 0.125 4.651 4.527 -0.000 0.000 0.310 244 F C 1.454 177.265 175.800 0.019 0.000 1.124 244 F CA -0.117 57.903 58.000 0.033 0.000 1.252 244 F CB 0.374 39.394 39.000 0.033 0.000 1.010 244 F HN -0.289 nan 8.300 nan 0.000 0.518 245 V N -0.033 119.940 119.914 0.098 0.000 2.515 245 V HA -0.095 4.025 4.120 -0.000 0.000 0.250 245 V C 0.757 176.865 176.094 0.022 0.000 1.058 245 V CA 1.850 64.182 62.300 0.053 0.000 1.064 245 V CB -0.052 31.780 31.823 0.016 0.000 0.675 245 V HN 0.270 nan 8.190 nan 0.000 0.461 246 E N -0.785 119.412 120.200 -0.005 0.000 2.392 246 E HA 0.401 4.751 4.350 -0.000 0.000 0.269 246 E C -2.735 173.847 176.600 -0.030 0.000 0.924 246 E CA -2.415 53.976 56.400 -0.016 0.000 0.784 246 E CB 1.772 31.447 29.700 -0.041 0.000 1.292 246 E HN 0.039 nan 8.360 nan 0.000 0.447 247 P HA -0.077 nan 4.420 nan 0.000 0.262 247 P C -0.778 176.467 177.300 -0.090 0.000 1.182 247 P CA 0.217 63.308 63.100 -0.015 0.000 0.761 247 P CB 0.279 31.980 31.700 0.002 0.000 0.795 248 N N 4.489 123.093 118.700 -0.160 0.000 2.483 248 N HA 0.070 4.809 4.740 -0.000 0.000 0.264 248 N C -1.782 173.667 175.510 -0.102 0.000 1.197 248 N CA -1.286 51.606 53.050 -0.262 0.000 0.927 248 N CB 0.103 38.331 38.487 -0.433 0.000 1.065 248 N HN 0.262 nan 8.380 nan 0.000 0.461 249 P HA 0.216 nan 4.420 nan 0.000 0.257 249 P C 0.683 177.944 177.300 -0.064 0.000 1.737 249 P CA -0.017 63.023 63.100 -0.101 0.000 1.130 249 P CB 0.018 31.686 31.700 -0.053 0.000 1.572 250 I N 1.258 121.791 120.570 -0.062 0.000 2.127 250 I HA -0.150 4.020 4.170 -0.000 0.000 0.241 250 I C -0.575 175.554 176.117 0.021 0.000 1.075 250 I CA 1.692 62.982 61.300 -0.016 0.000 1.334 250 I CB -1.874 36.110 38.000 -0.026 0.000 1.040 250 I HN 0.059 nan 8.210 nan 0.000 0.405 251 P HA -0.124 nan 4.420 nan 0.000 0.218 251 P C 1.916 179.282 177.300 0.111 0.000 1.149 251 P CA 1.066 64.193 63.100 0.046 0.000 0.817 251 P CB 0.080 31.762 31.700 -0.029 0.000 0.785 252 V N -0.382 119.542 119.914 0.017 0.000 2.649 252 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 252 V C 2.090 178.200 176.094 0.027 0.000 1.054 252 V CA 1.606 63.919 62.300 0.022 0.000 1.073 252 V CB -0.724 31.085 31.823 -0.023 0.000 0.699 252 V HN 0.002 nan 8.190 nan 0.000 0.463 253 K N -1.127 119.291 120.400 0.031 0.000 2.057 253 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 253 K C 1.851 178.470 176.600 0.032 0.000 1.049 253 K CA 2.165 58.466 56.287 0.023 0.000 0.931 253 K CB -0.369 32.147 32.500 0.028 0.000 0.714 253 K HN 0.676 nan 8.250 nan 0.000 0.440 254 W N 1.480 122.754 121.300 -0.043 0.000 2.358 254 W HA -0.230 4.430 4.660 0.000 0.000 0.303 254 W C 2.136 178.632 176.519 -0.038 0.000 1.208 254 W CA 2.182 59.504 57.345 -0.037 0.000 1.274 254 W CB -0.383 29.057 29.460 -0.034 0.000 1.138 254 W HN 0.093 nan 8.180 nan 0.000 0.515 255 A N -0.341 122.471 122.820 -0.014 0.000 1.908 255 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 255 A C 2.018 179.432 177.584 -0.283 0.000 1.181 255 A CA 2.064 53.999 52.037 -0.170 0.000 0.627 255 A CB -1.542 17.483 19.000 0.042 0.000 0.818 255 A HN 0.423 nan 8.150 nan 0.000 0.445 256 C N -0.811 118.372 119.300 -0.195 0.000 2.432 256 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 256 C C 2.712 177.543 174.990 -0.264 0.000 1.249 256 C CA 1.326 60.221 59.018 -0.205 0.000 1.725 256 C CB -0.963 26.699 27.740 -0.130 0.000 2.028 256 C HN 0.693 nan 8.230 nan 0.000 0.477 257 K N 0.854 121.075 120.400 -0.299 0.000 2.032 257 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 257 K C 1.970 178.324 176.600 -0.411 0.000 1.048 257 K CA 2.033 58.128 56.287 -0.321 0.000 0.927 257 K CB -0.267 32.046 32.500 -0.311 0.000 0.712 257 K HN 0.427 nan 8.250 nan 0.000 0.441 258 E N 0.703 120.509 120.200 -0.656 0.000 2.204 258 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 258 E C 1.748 178.134 176.600 -0.356 0.000 0.990 258 E CA 0.949 56.974 56.400 -0.624 0.000 0.821 258 E CB -0.026 29.058 29.700 -1.026 0.000 0.750 258 E HN 0.352 nan 8.360 nan 0.000 0.477 259 L N -1.396 119.638 121.223 -0.315 0.000 2.492 259 L HA 0.218 4.558 4.340 -0.000 0.000 0.223 259 L C 1.492 178.238 176.870 -0.206 0.000 1.132 259 L CA 0.425 55.126 54.840 -0.232 0.000 0.850 259 L CB -0.031 41.884 42.059 -0.239 0.000 0.966 259 L HN 0.416 nan 8.230 nan 0.000 0.454 260 G N -0.064 108.611 108.800 -0.208 0.000 2.132 260 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.234 260 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.234 260 G C 0.739 175.541 174.900 -0.164 0.000 0.989 260 G CA 0.277 45.279 45.100 -0.164 0.000 0.676 260 G HN 0.298 nan 8.290 nan 0.000 0.522 261 L N -0.390 120.710 121.223 -0.205 0.000 2.270 261 L HA 0.318 4.658 4.340 -0.000 0.000 0.210 261 L C 1.519 178.305 176.870 -0.140 0.000 1.104 261 L CA 1.370 56.084 54.840 -0.211 0.000 0.804 261 L CB 0.178 42.048 42.059 -0.316 0.000 0.937 261 L HN 0.528 nan 8.230 nan 0.000 0.450 262 V N -5.493 114.343 119.914 -0.129 0.000 2.962 262 V HA 0.683 4.803 4.120 -0.000 0.000 0.313 262 V C 0.657 176.699 176.094 -0.086 0.000 1.099 262 V CA -0.399 61.848 62.300 -0.089 0.000 0.971 262 V CB 1.542 33.322 31.823 -0.073 0.000 1.028 262 V HN -0.055 nan 8.190 nan 0.000 0.430 263 A N 2.589 125.373 122.820 -0.060 0.000 1.898 263 A HA 0.285 4.605 4.320 -0.000 0.000 0.216 263 A C 1.337 178.892 177.584 -0.048 0.000 1.181 263 A CA 1.826 53.832 52.037 -0.051 0.000 0.620 263 A CB -0.511 18.468 19.000 -0.034 0.000 0.819 263 A HN 1.779 nan 8.150 nan 0.000 0.442 264 T N -2.634 111.897 114.554 -0.038 0.000 2.896 264 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 264 T C -0.791 173.896 174.700 -0.020 0.000 1.108 264 T CA 0.003 62.088 62.100 -0.024 0.000 1.004 264 T CB 1.887 70.751 68.868 -0.006 0.000 1.159 264 T HN 0.167 nan 8.240 nan 0.000 0.499 265 D N 0.434 120.836 120.400 0.004 0.000 2.460 265 D HA 0.166 4.806 4.640 -0.000 0.000 0.229 265 D C 0.263 176.588 176.300 0.041 0.000 1.170 265 D CA -0.319 53.699 54.000 0.029 0.000 0.827 265 D CB -0.530 40.326 40.800 0.094 0.000 0.973 265 D HN 0.503 nan 8.370 nan 0.000 0.496 266 T N 0.815 115.383 114.554 0.024 0.000 2.940 266 T HA 0.351 4.701 4.350 -0.000 0.000 0.309 266 T C 0.354 175.063 174.700 0.015 0.000 1.056 266 T CA 0.084 62.197 62.100 0.021 0.000 1.137 266 T CB 0.715 69.591 68.868 0.014 0.000 0.976 266 T HN 0.093 nan 8.240 nan 0.000 0.547 267 L N 1.934 123.165 121.223 0.013 0.000 2.257 267 L HA 0.641 4.981 4.340 -0.000 0.000 0.257 267 L C 0.309 177.181 176.870 0.004 0.000 1.033 267 L CA -1.243 53.601 54.840 0.006 0.000 0.835 267 L CB 1.498 43.560 42.059 0.005 0.000 1.398 267 L HN 0.371 nan 8.230 nan 0.000 0.429 268 R N 0.417 120.917 120.500 0.000 0.000 2.460 268 R HA 0.589 4.929 4.340 -0.000 0.000 0.303 268 R C -1.089 175.209 176.300 -0.003 0.000 0.968 268 R CA -0.882 55.218 56.100 -0.001 0.000 0.889 268 R CB 1.391 31.691 30.300 -0.001 0.000 1.123 268 R HN 0.411 nan 8.270 nan 0.000 0.455 269 L N 4.387 125.608 121.223 -0.003 0.000 2.514 269 L HA 0.055 4.395 4.340 -0.000 0.000 0.280 269 L C -1.002 175.863 176.870 -0.008 0.000 1.223 269 L CA -0.841 53.996 54.840 -0.005 0.000 0.864 269 L CB 0.428 42.485 42.059 -0.004 0.000 1.118 269 L HN 0.478 nan 8.230 nan 0.000 0.494 270 P HA 0.071 nan 4.420 nan 0.000 0.256 270 P C -0.217 177.080 177.300 -0.006 0.000 1.384 270 P CA 0.024 63.120 63.100 -0.007 0.000 0.879 270 P CB 0.411 32.107 31.700 -0.006 0.000 1.403 271 M N 1.146 120.742 119.600 -0.007 0.000 2.217 271 M HA 0.201 4.681 4.480 -0.000 0.000 0.354 271 M C 0.891 177.188 176.300 -0.005 0.000 1.225 271 M CA 0.455 55.751 55.300 -0.007 0.000 1.137 271 M CB 0.679 33.273 32.600 -0.009 0.000 1.576 271 M HN -0.017 nan 8.290 nan 0.000 0.461 272 T N 1.135 115.685 114.554 -0.006 0.000 2.930 272 T HA 0.754 5.104 4.350 -0.000 0.000 0.290 272 T C -2.717 171.980 174.700 -0.006 0.000 1.052 272 T CA -2.025 60.071 62.100 -0.005 0.000 1.017 272 T CB 1.439 70.302 68.868 -0.008 0.000 1.137 272 T HN 0.303 nan 8.240 nan 0.000 0.511 273 P HA 0.156 nan 4.420 nan 0.000 0.267 273 P C 0.028 177.312 177.300 -0.026 0.000 1.201 273 P CA -0.418 62.683 63.100 0.001 0.000 0.775 273 P CB 0.267 31.969 31.700 0.004 0.000 0.854 274 I N 1.552 122.096 120.570 -0.042 0.000 2.752 274 I HA 0.006 4.176 4.170 -0.000 0.000 0.287 274 I C 0.962 176.993 176.117 -0.144 0.000 1.188 274 I CA 0.129 61.358 61.300 -0.118 0.000 1.427 274 I CB 0.599 38.468 38.000 -0.218 0.000 1.365 274 I HN 0.448 nan 8.210 nan 0.000 0.585 275 T N 2.129 116.598 114.554 -0.141 0.000 2.788 275 T HA 0.108 4.458 4.350 -0.000 0.000 0.287 275 T C 0.772 175.362 174.700 -0.184 0.000 1.007 275 T CA -0.517 61.506 62.100 -0.128 0.000 1.005 275 T CB 0.977 69.790 68.868 -0.092 0.000 1.012 275 T HN 0.591 nan 8.240 nan 0.000 0.530 276 D N 0.319 120.634 120.400 -0.141 0.000 2.144 276 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 276 D C 2.272 178.476 176.300 -0.159 0.000 0.978 276 D CA 1.352 55.261 54.000 -0.151 0.000 0.833 276 D CB -0.608 40.138 40.800 -0.090 0.000 0.961 276 D HN 0.605 nan 8.370 nan 0.000 0.470 277 S N -0.211 115.417 115.700 -0.121 0.000 2.383 277 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 277 S C 2.066 176.582 174.600 -0.140 0.000 1.030 277 S CA 1.859 59.995 58.200 -0.105 0.000 1.002 277 S CB -0.506 62.650 63.200 -0.072 0.000 0.829 277 S HN 0.321 nan 8.310 nan 0.000 0.467 278 G N 1.370 110.065 108.800 -0.176 0.000 2.414 278 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 278 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 278 G C 1.505 176.193 174.900 -0.353 0.000 1.188 278 G CA 0.663 45.636 45.100 -0.212 0.000 0.783 278 G HN 0.498 nan 8.290 nan 0.000 0.537 279 R N 0.372 120.529 120.500 -0.572 0.000 2.159 279 R HA -0.204 4.136 4.340 -0.000 0.000 0.249 279 R C 2.482 178.469 176.300 -0.522 0.000 1.136 279 R CA 2.199 57.725 56.100 -0.957 0.000 0.951 279 R CB -0.436 29.399 30.300 -0.774 0.000 0.876 279 R HN 0.508 nan 8.270 nan 0.000 0.440 280 E N -1.203 118.837 120.200 -0.267 0.000 2.038 280 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 280 E C 1.927 178.484 176.600 -0.071 0.000 1.000 280 E CA 2.030 58.360 56.400 -0.116 0.000 0.803 280 E CB -0.052 29.598 29.700 -0.083 0.000 0.750 280 E HN 0.442 nan 8.360 nan 0.000 0.448 281 T N 0.602 115.103 114.554 -0.088 0.000 2.777 281 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 281 T C 2.072 176.767 174.700 -0.009 0.000 1.040 281 T CA 1.005 63.080 62.100 -0.041 0.000 1.141 281 T CB -0.151 68.690 68.868 -0.045 0.000 0.868 281 T HN -0.025 nan 8.240 nan 0.000 0.444 282 V N 1.283 121.180 119.914 -0.027 0.000 2.358 282 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 282 V C 2.623 178.826 176.094 0.181 0.000 1.047 282 V CA 1.540 63.889 62.300 0.081 0.000 1.035 282 V CB -0.577 31.319 31.823 0.122 0.000 0.658 282 V HN 0.333 nan 8.190 nan 0.000 0.452 283 R N 0.140 120.756 120.500 0.194 0.000 2.081 283 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 283 R C 2.348 178.733 176.300 0.142 0.000 1.131 283 R CA 1.581 57.833 56.100 0.253 0.000 0.960 283 R CB -0.448 30.018 30.300 0.277 0.000 0.856 283 R HN 0.492 nan 8.270 nan 0.000 0.436 284 A N 0.689 123.565 122.820 0.094 0.000 1.908 284 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 284 A C 2.320 179.963 177.584 0.098 0.000 1.181 284 A CA 1.830 53.916 52.037 0.081 0.000 0.627 284 A CB -0.747 18.285 19.000 0.053 0.000 0.818 284 A HN 0.534 nan 8.150 nan 0.000 0.445 285 A N -0.525 122.344 122.820 0.081 0.000 1.930 285 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 285 A C 2.158 179.801 177.584 0.099 0.000 1.175 285 A CA 1.401 53.477 52.037 0.066 0.000 0.627 285 A CB -0.513 18.511 19.000 0.041 0.000 0.815 285 A HN 0.473 nan 8.150 nan 0.000 0.443 286 L N -0.864 120.423 121.223 0.105 0.000 2.093 286 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 286 L C 2.575 179.494 176.870 0.082 0.000 1.085 286 L CA 1.474 56.367 54.840 0.089 0.000 0.755 286 L CB -0.366 41.746 42.059 0.089 0.000 0.904 286 L HN 0.339 nan 8.230 nan 0.000 0.435 287 K N -1.120 119.335 120.400 0.091 0.000 2.057 287 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 287 K C 2.207 178.855 176.600 0.080 0.000 1.049 287 K CA 1.067 57.397 56.287 0.071 0.000 0.931 287 K CB -0.312 32.229 32.500 0.067 0.000 0.714 287 K HN 0.309 nan 8.250 nan 0.000 0.440 288 H N 0.571 119.651 119.070 0.017 0.000 2.387 288 H HA -0.068 4.488 4.556 0.000 0.000 0.299 288 H C 1.411 176.741 175.328 0.002 0.000 1.099 288 H CA 1.687 57.741 56.048 0.010 0.000 1.315 288 H CB 0.182 29.949 29.762 0.010 0.000 1.380 288 H HN 0.194 nan 8.280 nan 0.000 0.513 289 A N -0.308 122.608 122.820 0.160 0.000 2.238 289 A HA 0.223 4.543 4.320 -0.000 0.000 0.208 289 A C 1.859 179.465 177.584 0.035 0.000 1.177 289 A CA 0.976 53.068 52.037 0.091 0.000 0.804 289 A CB -0.547 18.494 19.000 0.068 0.000 0.823 289 A HN 0.621 nan 8.150 nan 0.000 0.482 290 G N -1.157 107.654 108.800 0.018 0.000 2.160 290 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.251 290 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.251 290 G C 0.629 175.536 174.900 0.012 0.000 1.008 290 G CA 0.621 45.722 45.100 0.002 0.000 0.724 290 G HN 0.482 nan 8.290 nan 0.000 0.514 291 L N -1.445 119.791 121.223 0.021 0.000 2.463 291 L HA 0.454 4.794 4.340 -0.000 0.000 0.219 291 L C 1.674 178.543 176.870 -0.001 0.000 1.088 291 L CA 0.311 55.160 54.840 0.015 0.000 0.849 291 L CB 0.026 42.098 42.059 0.021 0.000 1.012 291 L HN 0.250 nan 8.230 nan 0.000 0.468 292 L N 0.000 121.227 121.223 0.007 0.000 2.949 292 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 292 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 292 L CB 0.000 42.065 42.059 0.010 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502