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 1fiu_1_D DATA FIRST_RESID 1 DATA SEQUENCE MQPLFTQERR IFHKKLLDGN ILATNNRGVV SNADGSNTRS FNIAKGIADL DATA SEQUENCE LHSETVSERL PGQTSGNAFE AICSEFVQSA FEKLQHIRPG DWNVKQVGSR DATA SEQUENCE NRLEIARYQQ YAHLTALAKA AEENPELAAA LGSDYTITPD IIVTRNLIAD DATA SEQUENCE AEINRNEFLV DENIATYASL RAGNGNMPLL HASISCKWTI RSDRAQNARS DATA SEQUENCE EGLNLVRNRK GRLPHIVVVT AEPTPSRISS IALGTGEIDC VYHFALYELE DATA SEQUENCE QILQSLNYED ALDLFYIMVN GKRLKDISDL PLDLAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 Q N -1.438 118.379 119.800 0.029 0.000 2.350 2 Q HA 0.330 4.670 4.340 -0.000 0.000 0.225 2 Q C -2.324 173.693 176.000 0.027 0.000 0.878 2 Q CA -0.243 55.576 55.803 0.026 0.000 0.935 2 Q CB -1.550 27.196 28.738 0.013 0.000 1.099 2 Q HN 0.235 nan 8.270 nan 0.000 0.527 3 P HA -0.011 nan 4.420 nan 0.000 0.267 3 P C 0.460 177.792 177.300 0.053 0.000 1.200 3 P CA 0.334 63.442 63.100 0.014 0.000 0.772 3 P CB 0.673 32.384 31.700 0.018 0.000 0.855 4 L N 1.371 122.608 121.223 0.024 0.000 2.131 4 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 4 L C 2.178 179.222 176.870 0.289 0.000 1.092 4 L CA 1.452 56.354 54.840 0.104 0.000 0.759 4 L CB -0.554 41.541 42.059 0.060 0.000 0.903 4 L HN 0.480 nan 8.230 nan 0.000 0.435 5 F N -0.224 119.759 119.950 0.056 0.000 2.293 5 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 5 F C 2.549 178.431 175.800 0.137 0.000 1.086 5 F CA 0.702 58.759 58.000 0.096 0.000 1.375 5 F CB -0.246 38.811 39.000 0.095 0.000 1.045 5 F HN 0.106 nan 8.300 nan 0.000 0.516 6 T N -0.593 114.136 114.554 0.291 0.000 2.812 6 T HA -0.181 4.169 4.350 -0.000 0.000 0.264 6 T C 1.759 176.557 174.700 0.165 0.000 1.042 6 T CA 1.044 63.264 62.100 0.201 0.000 1.140 6 T CB -0.254 68.699 68.868 0.142 0.000 0.870 6 T HN 0.314 nan 8.240 nan 0.000 0.445 7 Q N 0.411 120.306 119.800 0.158 0.000 2.079 7 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 7 Q C 2.464 178.560 176.000 0.160 0.000 0.974 7 Q CA 0.899 56.781 55.803 0.131 0.000 0.840 7 Q CB -0.023 28.780 28.738 0.109 0.000 0.898 7 Q HN 0.418 nan 8.270 nan 0.000 0.430 8 E N 0.591 120.921 120.200 0.216 0.000 2.106 8 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 8 E C 1.872 178.677 176.600 0.342 0.000 0.984 8 E CA 0.752 57.315 56.400 0.271 0.000 0.806 8 E CB -0.138 29.699 29.700 0.228 0.000 0.750 8 E HN 0.266 nan 8.360 nan 0.000 0.458 9 R N 0.896 121.540 120.500 0.239 0.000 2.081 9 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 9 R C 2.323 178.562 176.300 -0.102 0.000 1.131 9 R CA 1.500 57.561 56.100 -0.065 0.000 0.960 9 R CB 0.003 30.249 30.300 -0.090 0.000 0.856 9 R HN -0.104 nan 8.270 nan 0.000 0.436 10 R N 0.909 121.425 120.500 0.026 0.000 2.092 10 R HA 0.011 4.351 4.340 -0.000 0.000 0.231 10 R C 2.019 178.392 176.300 0.122 0.000 1.119 10 R CA 1.468 57.609 56.100 0.068 0.000 0.970 10 R CB -0.564 29.793 30.300 0.094 0.000 0.864 10 R HN 0.333 nan 8.270 nan 0.000 0.440 11 I N 0.159 120.818 120.570 0.148 0.000 2.208 11 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 11 I C 1.963 178.203 176.117 0.204 0.000 1.097 11 I CA 1.330 62.727 61.300 0.162 0.000 1.363 11 I CB -0.359 37.741 38.000 0.167 0.000 1.051 11 I HN 0.169 nan 8.210 nan 0.000 0.413 12 F N 1.499 121.480 119.950 0.052 0.000 2.075 12 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 12 F C 2.524 178.409 175.800 0.142 0.000 1.113 12 F CA 1.968 59.990 58.000 0.037 0.000 1.218 12 F CB -0.718 38.170 39.000 -0.186 0.000 0.984 12 F HN 0.095 nan 8.300 nan 0.000 0.472 13 H N -0.949 118.139 119.070 0.031 0.000 2.353 13 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 13 H C 2.041 177.357 175.328 -0.020 0.000 1.090 13 H CA 1.186 57.204 56.048 -0.049 0.000 1.327 13 H CB -0.073 29.721 29.762 0.054 0.000 1.383 13 H HN 0.093 nan 8.280 nan 0.000 0.508 14 K N 1.513 122.008 120.400 0.159 0.000 2.148 14 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 14 K C 1.830 178.462 176.600 0.053 0.000 1.050 14 K CA 1.184 57.530 56.287 0.097 0.000 0.942 14 K CB 0.116 32.672 32.500 0.093 0.000 0.724 14 K HN 0.137 nan 8.250 nan 0.000 0.446 15 K N -0.086 120.336 120.400 0.037 0.000 2.097 15 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 15 K C 1.961 178.542 176.600 -0.031 0.000 1.050 15 K CA 1.360 57.652 56.287 0.008 0.000 0.938 15 K CB -0.125 32.385 32.500 0.017 0.000 0.718 15 K HN 0.110 nan 8.250 nan 0.000 0.442 16 L N 0.745 121.933 121.223 -0.059 0.000 2.046 16 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 16 L C 2.264 179.118 176.870 -0.027 0.000 1.077 16 L CA 1.105 55.904 54.840 -0.068 0.000 0.747 16 L CB -0.422 41.621 42.059 -0.028 0.000 0.896 16 L HN 0.165 nan 8.230 nan 0.000 0.432 17 L N -0.652 120.580 121.223 0.015 0.000 2.027 17 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 17 L C 2.177 179.050 176.870 0.006 0.000 1.074 17 L CA 1.030 55.884 54.840 0.023 0.000 0.745 17 L CB -0.623 41.463 42.059 0.046 0.000 0.898 17 L HN 0.227 nan 8.230 nan 0.000 0.433 18 D N 0.185 120.589 120.400 0.008 0.000 2.218 18 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 18 D C 1.957 178.249 176.300 -0.014 0.000 0.976 18 D CA 1.369 55.371 54.000 0.003 0.000 0.853 18 D CB -0.164 40.643 40.800 0.011 0.000 0.939 18 D HN 0.359 nan 8.370 nan 0.000 0.481 19 G N -0.283 108.498 108.800 -0.032 0.000 3.141 19 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 19 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 19 G C 0.382 175.242 174.900 -0.066 0.000 1.170 19 G CA -0.190 44.880 45.100 -0.050 0.000 0.769 19 G HN 0.279 nan 8.290 nan 0.000 0.546 20 N N -0.668 118.000 118.700 -0.052 0.000 2.741 20 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 20 N C 1.196 176.651 175.510 -0.091 0.000 1.112 20 N CA 0.250 53.269 53.050 -0.052 0.000 0.750 20 N CB -0.468 37.993 38.487 -0.043 0.000 1.119 20 N HN 0.217 nan 8.380 nan 0.000 0.561 21 I N -0.038 120.443 120.570 -0.149 0.000 2.233 21 I HA -0.047 4.123 4.170 -0.000 0.000 0.243 21 I C 1.122 177.133 176.117 -0.176 0.000 1.093 21 I CA 1.196 62.309 61.300 -0.311 0.000 1.380 21 I CB -0.657 37.054 38.000 -0.482 0.000 1.067 21 I HN 0.196 nan 8.210 nan 0.000 0.413 22 L N 1.108 122.322 121.223 -0.014 0.000 2.276 22 L HA 0.690 5.030 4.340 -0.000 0.000 0.286 22 L C -0.282 176.626 176.870 0.063 0.000 1.024 22 L CA -0.033 54.899 54.840 0.153 0.000 0.826 22 L CB 0.649 42.839 42.059 0.219 0.000 1.211 22 L HN 0.188 nan 8.230 nan 0.000 0.422 23 A N 2.697 125.546 122.820 0.048 0.000 2.557 23 A HA 0.865 5.185 4.320 -0.000 0.000 0.292 23 A C -0.976 176.603 177.584 -0.009 0.000 1.139 23 A CA -0.583 51.460 52.037 0.011 0.000 0.665 23 A CB 1.364 20.363 19.000 -0.001 0.000 1.285 23 A HN 0.448 nan 8.150 nan 0.000 0.433 24 T N 1.994 116.534 114.554 -0.024 0.000 2.824 24 T HA 0.530 4.880 4.350 -0.000 0.000 0.282 24 T C -0.062 174.620 174.700 -0.029 0.000 0.993 24 T CA -0.599 61.471 62.100 -0.049 0.000 0.967 24 T CB 1.109 69.939 68.868 -0.063 0.000 0.960 24 T HN 0.907 nan 8.240 nan 0.000 0.441 25 N N 1.667 120.352 118.700 -0.026 0.000 2.364 25 N HA 0.106 4.846 4.740 -0.000 0.000 0.264 25 N C 0.791 176.306 175.510 0.008 0.000 1.263 25 N CA -0.735 52.313 53.050 -0.004 0.000 0.959 25 N CB 0.118 38.609 38.487 0.007 0.000 1.204 25 N HN 0.501 nan 8.380 nan 0.000 0.550 26 N N -1.194 117.516 118.700 0.016 0.000 2.571 26 N HA -0.060 4.679 4.740 -0.000 0.000 0.189 26 N C 0.344 175.879 175.510 0.041 0.000 1.154 26 N CA 0.559 53.623 53.050 0.023 0.000 0.907 26 N CB -0.047 38.451 38.487 0.018 0.000 0.977 26 N HN 0.475 nan 8.380 nan 0.000 0.449 27 R N -1.066 119.470 120.500 0.059 0.000 2.397 27 R HA 0.344 4.684 4.340 -0.000 0.000 0.241 27 R C 1.005 177.408 176.300 0.173 0.000 0.914 27 R CA 0.520 56.679 56.100 0.098 0.000 1.071 27 R CB 0.199 30.559 30.300 0.100 0.000 1.116 27 R HN 0.311 nan 8.270 nan 0.000 0.524 28 G N -0.240 108.624 108.800 0.106 0.000 2.176 28 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 28 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 28 G C -0.067 174.713 174.900 -0.200 0.000 0.979 28 G CA 0.122 45.270 45.100 0.080 0.000 0.641 28 G HN 0.130 nan 8.290 nan 0.000 0.530 29 V N 1.685 121.535 119.914 -0.106 0.000 2.455 29 V HA 0.457 4.577 4.120 -0.000 0.000 0.273 29 V C 1.200 177.152 176.094 -0.237 0.000 1.045 29 V CA -0.628 61.508 62.300 -0.274 0.000 0.976 29 V CB 1.500 33.323 31.823 0.000 0.000 0.993 29 V HN 0.249 nan 8.190 nan 0.000 0.475 30 V N 5.064 124.779 119.914 -0.331 0.000 2.686 30 V HA 0.066 4.186 4.120 -0.000 0.000 0.295 30 V C 1.565 177.599 176.094 -0.100 0.000 1.055 30 V CA 0.658 62.849 62.300 -0.182 0.000 1.050 30 V CB 1.637 33.343 31.823 -0.195 0.000 0.984 30 V HN 1.121 nan 8.190 nan 0.000 0.482 31 S N 2.510 118.205 115.700 -0.008 0.000 2.547 31 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 31 S C 1.097 175.769 174.600 0.120 0.000 0.980 31 S CA 0.982 59.236 58.200 0.088 0.000 0.941 31 S CB -0.479 62.812 63.200 0.152 0.000 0.763 31 S HN 0.942 nan 8.310 nan 0.000 0.532 32 N N 1.529 120.150 118.700 -0.133 0.000 2.203 32 N HA 0.338 5.078 4.740 -0.000 0.000 0.207 32 N C 0.133 175.420 175.510 -0.371 0.000 1.130 32 N CA 0.188 52.897 53.050 -0.568 0.000 0.861 32 N CB -0.031 37.733 38.487 -1.205 0.000 1.005 32 N HN 0.463 nan 8.380 nan 0.000 0.507 33 A N 0.239 122.942 122.820 -0.195 0.000 2.264 33 A HA 0.400 4.720 4.320 -0.000 0.000 0.304 33 A C -0.636 176.909 177.584 -0.066 0.000 1.100 33 A CA -0.495 51.468 52.037 -0.124 0.000 0.839 33 A CB 0.549 19.481 19.000 -0.114 0.000 1.121 33 A HN 0.184 nan 8.150 nan 0.000 0.496 34 D N 0.834 121.221 120.400 -0.022 0.000 2.443 34 D HA 0.377 5.017 4.640 -0.000 0.000 0.221 34 D C 1.304 177.643 176.300 0.065 0.000 1.097 34 D CA 0.313 54.317 54.000 0.006 0.000 0.865 34 D CB 0.849 41.647 40.800 -0.003 0.000 1.034 34 D HN 0.478 nan 8.370 nan 0.000 0.511 35 G N 2.343 111.194 108.800 0.085 0.000 2.462 35 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 35 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 35 G C 1.287 176.263 174.900 0.127 0.000 1.121 35 G CA 0.570 45.771 45.100 0.168 0.000 0.758 35 G HN 0.502 nan 8.290 nan 0.000 0.559 36 S N -0.027 115.711 115.700 0.063 0.000 2.522 36 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 36 S C 0.941 175.550 174.600 0.015 0.000 0.986 36 S CA -0.258 57.958 58.200 0.026 0.000 0.929 36 S CB 0.043 63.251 63.200 0.013 0.000 0.769 36 S HN 0.406 nan 8.310 nan 0.000 0.529 37 N N 1.790 120.514 118.700 0.039 0.000 2.485 37 N HA 0.175 4.915 4.740 -0.000 0.000 0.243 37 N C 0.563 176.104 175.510 0.051 0.000 0.987 37 N CA 0.118 53.184 53.050 0.025 0.000 0.940 37 N CB 1.143 39.642 38.487 0.021 0.000 1.122 37 N HN -0.049 nan 8.380 nan 0.000 0.509 38 T N 3.514 118.068 114.554 -0.000 0.000 2.635 38 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 38 T C 1.753 176.507 174.700 0.090 0.000 1.040 38 T CA 1.384 63.483 62.100 -0.001 0.000 1.156 38 T CB 0.094 68.932 68.868 -0.050 0.000 0.863 38 T HN 0.547 nan 8.240 nan 0.000 0.430 39 R N 0.598 121.111 120.500 0.022 0.000 2.092 39 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 39 R C 2.950 179.345 176.300 0.158 0.000 1.119 39 R CA 1.227 57.368 56.100 0.069 0.000 0.970 39 R CB -0.467 29.720 30.300 -0.188 0.000 0.864 39 R HN 0.276 nan 8.270 nan 0.000 0.440 40 S N 0.615 116.375 115.700 0.100 0.000 2.356 40 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 40 S C 1.676 176.353 174.600 0.129 0.000 1.032 40 S CA 1.135 59.385 58.200 0.083 0.000 1.005 40 S CB -0.256 62.969 63.200 0.042 0.000 0.867 40 S HN 0.372 nan 8.310 nan 0.000 0.449 41 F N 2.662 122.619 119.950 0.012 0.000 2.069 41 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 41 F C 2.233 178.048 175.800 0.025 0.000 1.113 41 F CA 1.972 59.979 58.000 0.012 0.000 1.214 41 F CB -0.378 38.629 39.000 0.012 0.000 0.978 41 F HN 0.262 nan 8.300 nan 0.000 0.474 42 N N 0.881 119.854 118.700 0.455 0.000 2.188 42 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 42 N C 1.988 177.570 175.510 0.121 0.000 1.018 42 N CA 1.720 54.953 53.050 0.306 0.000 0.858 42 N CB -0.373 38.287 38.487 0.288 0.000 0.989 42 N HN 0.391 nan 8.380 nan 0.000 0.426 43 I N 1.203 121.851 120.570 0.130 0.000 2.202 43 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 43 I C 2.348 178.467 176.117 0.004 0.000 1.091 43 I CA 0.888 62.218 61.300 0.049 0.000 1.368 43 I CB -0.263 37.783 38.000 0.077 0.000 1.058 43 I HN 0.039 nan 8.210 nan 0.000 0.410 44 A N 0.669 123.481 122.820 -0.012 0.000 1.933 44 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 44 A C 2.402 179.932 177.584 -0.091 0.000 1.175 44 A CA 1.848 53.852 52.037 -0.057 0.000 0.628 44 A CB -0.519 18.411 19.000 -0.116 0.000 0.814 44 A HN 0.372 nan 8.150 nan 0.000 0.444 45 K N -0.503 119.816 120.400 -0.135 0.000 2.057 45 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 45 K C 2.052 178.605 176.600 -0.078 0.000 1.050 45 K CA 1.423 57.624 56.287 -0.143 0.000 0.935 45 K CB -0.565 31.846 32.500 -0.148 0.000 0.715 45 K HN 0.359 nan 8.250 nan 0.000 0.439 46 G N 1.629 110.395 108.800 -0.057 0.000 2.440 46 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 46 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 46 G C 1.542 176.405 174.900 -0.061 0.000 1.154 46 G CA 0.965 46.028 45.100 -0.061 0.000 0.767 46 G HN 0.281 nan 8.290 nan 0.000 0.552 47 I N 1.300 121.839 120.570 -0.052 0.000 2.252 47 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 47 I C 3.302 179.382 176.117 -0.061 0.000 1.102 47 I CA 0.923 62.189 61.300 -0.057 0.000 1.385 47 I CB -0.247 37.743 38.000 -0.017 0.000 1.064 47 I HN 0.248 nan 8.210 nan 0.000 0.414 48 A N 0.553 123.347 122.820 -0.043 0.000 1.902 48 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 48 A C 1.955 179.510 177.584 -0.048 0.000 1.181 48 A CA 2.093 54.108 52.037 -0.037 0.000 0.623 48 A CB -0.592 18.382 19.000 -0.044 0.000 0.818 48 A HN 0.338 nan 8.150 nan 0.000 0.443 49 D N 0.059 120.419 120.400 -0.067 0.000 2.117 49 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 49 D C 1.835 178.070 176.300 -0.108 0.000 0.987 49 D CA 1.078 55.018 54.000 -0.100 0.000 0.829 49 D CB -0.346 40.396 40.800 -0.096 0.000 0.961 49 D HN 0.454 nan 8.370 nan 0.000 0.460 50 L N -0.128 121.066 121.223 -0.048 0.000 2.362 50 L HA -0.097 4.243 4.340 -0.000 0.000 0.219 50 L C 1.678 178.626 176.870 0.130 0.000 1.134 50 L CA 0.163 55.017 54.840 0.024 0.000 0.807 50 L CB 0.016 42.081 42.059 0.010 0.000 0.927 50 L HN 0.014 nan 8.230 nan 0.000 0.447 51 L N -1.408 119.851 121.223 0.060 0.000 2.592 51 L HA 0.068 4.408 4.340 -0.000 0.000 0.227 51 L C 0.286 177.284 176.870 0.214 0.000 1.127 51 L CA 0.473 55.361 54.840 0.081 0.000 0.884 51 L CB -0.833 41.176 42.059 -0.083 0.000 1.065 51 L HN 0.199 nan 8.230 nan 0.000 0.457 52 H N -1.740 117.326 119.070 -0.006 0.000 2.826 52 H HA -0.159 4.397 4.556 -0.000 0.000 0.306 52 H C 0.797 176.127 175.328 0.004 0.000 1.235 52 H CA 0.476 56.526 56.048 0.004 0.000 1.150 52 H CB -1.800 27.973 29.762 0.018 0.000 1.409 52 H HN 0.227 nan 8.280 nan 0.000 0.420 53 S N -0.300 115.431 115.700 0.050 0.000 2.523 53 S HA 0.260 4.730 4.470 -0.000 0.000 0.275 53 S C 1.200 175.805 174.600 0.009 0.000 1.281 53 S CA -0.100 58.119 58.200 0.032 0.000 1.050 53 S CB 0.856 64.064 63.200 0.014 0.000 0.937 53 S HN 0.533 nan 8.310 nan 0.000 0.492 54 E N 2.026 122.236 120.200 0.017 0.000 2.536 54 E HA 0.090 4.440 4.350 -0.000 0.000 0.220 54 E C -0.223 176.380 176.600 0.004 0.000 0.876 54 E CA 0.003 56.407 56.400 0.006 0.000 1.190 54 E CB 0.679 30.388 29.700 0.015 0.000 1.191 54 E HN 0.560 nan 8.360 nan 0.000 0.557 55 T N 1.797 116.355 114.554 0.007 0.000 2.928 55 T HA 0.121 4.471 4.350 -0.000 0.000 0.305 55 T C -0.023 174.675 174.700 -0.003 0.000 1.035 55 T CA 0.195 62.297 62.100 0.003 0.000 1.145 55 T CB 1.307 70.178 68.868 0.004 0.000 0.963 55 T HN -0.196 nan 8.240 nan 0.000 0.545 56 V N 4.230 124.142 119.914 -0.003 0.000 2.384 56 V HA 0.716 4.836 4.120 -0.000 0.000 0.287 56 V C 0.043 176.135 176.094 -0.004 0.000 1.020 56 V CA -0.532 61.766 62.300 -0.004 0.000 0.850 56 V CB 1.231 33.053 31.823 -0.001 0.000 0.987 56 V HN 1.140 nan 8.190 nan 0.000 0.436 57 S N 3.174 118.871 115.700 -0.006 0.000 2.567 57 S HA 0.536 5.006 4.470 -0.000 0.000 0.270 57 S C -1.178 173.418 174.600 -0.006 0.000 1.152 57 S CA -1.058 57.138 58.200 -0.007 0.000 0.835 57 S CB 1.900 65.093 63.200 -0.011 0.000 1.115 57 S HN 0.471 nan 8.310 nan 0.000 0.459 58 E N 1.187 121.384 120.200 -0.006 0.000 2.404 58 E HA 0.160 4.510 4.350 -0.000 0.000 0.261 58 E C 0.338 176.933 176.600 -0.007 0.000 1.074 58 E CA -0.229 56.169 56.400 -0.003 0.000 0.917 58 E CB 0.585 30.283 29.700 -0.003 0.000 0.965 58 E HN 0.576 nan 8.360 nan 0.000 0.433 59 R N 2.219 122.719 120.500 0.000 0.000 2.585 59 R HA 0.030 4.370 4.340 -0.000 0.000 0.275 59 R C 0.049 176.341 176.300 -0.014 0.000 1.018 59 R CA -0.109 55.993 56.100 0.004 0.000 1.072 59 R CB 0.239 30.551 30.300 0.020 0.000 0.953 59 R HN 0.376 nan 8.270 nan 0.000 0.419 60 L N 5.823 127.024 121.223 -0.037 0.000 2.453 60 L HA 0.311 4.651 4.340 -0.000 0.000 0.261 60 L C -1.725 175.115 176.870 -0.051 0.000 1.179 60 L CA -2.131 52.673 54.840 -0.061 0.000 0.813 60 L CB 0.567 42.558 42.059 -0.114 0.000 1.110 60 L HN 0.553 nan 8.230 nan 0.000 0.466 61 P HA -0.021 nan 4.420 nan 0.000 0.267 61 P C 0.687 177.960 177.300 -0.045 0.000 1.200 61 P CA 0.119 63.199 63.100 -0.033 0.000 0.772 61 P CB 0.646 32.327 31.700 -0.032 0.000 0.855 62 G N 1.914 110.703 108.800 -0.017 0.000 2.450 62 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 62 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 62 G C 1.125 176.009 174.900 -0.027 0.000 1.130 62 G CA 0.703 45.800 45.100 -0.006 0.000 0.760 62 G HN 0.493 nan 8.290 nan 0.000 0.557 63 Q N 0.081 119.865 119.800 -0.026 0.000 2.167 63 Q HA 0.007 4.347 4.340 -0.000 0.000 0.202 63 Q C 2.724 178.693 176.000 -0.052 0.000 0.970 63 Q CA 1.718 57.505 55.803 -0.027 0.000 0.855 63 Q CB -0.515 28.211 28.738 -0.020 0.000 0.911 63 Q HN 0.407 nan 8.270 nan 0.000 0.438 64 T N 0.178 114.687 114.554 -0.075 0.000 2.732 64 T HA -0.148 4.202 4.350 -0.000 0.000 0.261 64 T C 2.056 176.654 174.700 -0.171 0.000 1.040 64 T CA 1.480 63.518 62.100 -0.103 0.000 1.145 64 T CB -0.425 68.382 68.868 -0.102 0.000 0.866 64 T HN 0.520 nan 8.240 nan 0.000 0.427 65 S N 1.494 117.040 115.700 -0.256 0.000 2.382 65 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 65 S C 2.403 176.782 174.600 -0.369 0.000 1.027 65 S CA 1.201 59.093 58.200 -0.514 0.000 0.991 65 S CB -1.185 61.511 63.200 -0.840 0.000 0.823 65 S HN 0.515 nan 8.310 nan 0.000 0.469 66 G N 2.304 111.017 108.800 -0.144 0.000 2.421 66 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 66 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 66 G C 1.446 176.368 174.900 0.036 0.000 1.171 66 G CA 1.033 46.145 45.100 0.019 0.000 0.775 66 G HN 0.628 nan 8.290 nan 0.000 0.543 67 N N 0.920 119.610 118.700 -0.017 0.000 2.142 67 N HA 0.033 4.773 4.740 -0.000 0.000 0.186 67 N C 2.373 177.870 175.510 -0.021 0.000 1.023 67 N CA 1.684 54.727 53.050 -0.012 0.000 0.852 67 N CB -0.362 38.109 38.487 -0.026 0.000 0.998 67 N HN 0.233 nan 8.380 nan 0.000 0.424 68 A N -0.416 122.364 122.820 -0.067 0.000 1.902 68 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 68 A C 2.105 179.678 177.584 -0.018 0.000 1.181 68 A CA 1.082 53.073 52.037 -0.076 0.000 0.623 68 A CB -1.131 17.776 19.000 -0.156 0.000 0.818 68 A HN 0.476 nan 8.150 nan 0.000 0.443 69 F N 1.002 120.834 119.950 -0.195 0.000 2.134 69 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 69 F C 2.134 177.954 175.800 0.034 0.000 1.097 69 F CA 1.968 59.915 58.000 -0.089 0.000 1.264 69 F CB -0.386 38.601 39.000 -0.022 0.000 1.001 69 F HN 0.382 nan 8.300 nan 0.000 0.479 70 E N 0.038 120.238 120.200 -0.001 0.000 2.051 70 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 70 E C 2.402 178.959 176.600 -0.071 0.000 0.991 70 E CA 1.169 57.523 56.400 -0.077 0.000 0.799 70 E CB -0.468 29.227 29.700 -0.007 0.000 0.748 70 E HN 0.464 nan 8.360 nan 0.000 0.449 71 A N 1.103 123.905 122.820 -0.031 0.000 1.877 71 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 71 A C 2.181 179.770 177.584 0.008 0.000 1.186 71 A CA 1.265 53.295 52.037 -0.013 0.000 0.620 71 A CB -0.626 18.369 19.000 -0.008 0.000 0.822 71 A HN 0.155 nan 8.150 nan 0.000 0.443 72 I N -0.787 119.792 120.570 0.015 0.000 2.315 72 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 72 I C 2.464 178.707 176.117 0.210 0.000 1.117 72 I CA 0.906 62.264 61.300 0.096 0.000 1.404 72 I CB -0.433 37.594 38.000 0.044 0.000 1.071 72 I HN 0.375 nan 8.210 nan 0.000 0.419 73 C N -0.325 119.019 119.300 0.074 0.000 2.429 73 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 73 C C 3.325 178.328 174.990 0.021 0.000 1.262 73 C CA 1.461 60.494 59.018 0.026 0.000 1.733 73 C CB -0.876 26.700 27.740 -0.274 0.000 2.010 73 C HN 0.542 nan 8.230 nan 0.000 0.483 74 S N 0.348 116.038 115.700 -0.016 0.000 2.359 74 S HA -0.194 4.276 4.470 -0.000 0.000 0.224 74 S C 1.763 176.363 174.600 0.001 0.000 1.035 74 S CA 1.772 59.956 58.200 -0.026 0.000 1.018 74 S CB -0.283 62.903 63.200 -0.024 0.000 0.876 74 S HN 0.704 nan 8.310 nan 0.000 0.448 75 E N -0.386 119.843 120.200 0.048 0.000 2.110 75 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 75 E C 1.774 178.408 176.600 0.057 0.000 0.988 75 E CA 1.336 57.770 56.400 0.056 0.000 0.804 75 E CB -0.283 29.468 29.700 0.086 0.000 0.745 75 E HN 0.688 nan 8.360 nan 0.000 0.458 76 F N 1.227 121.163 119.950 -0.024 0.000 2.102 76 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 76 F C 2.067 177.761 175.800 -0.177 0.000 1.105 76 F CA 1.061 59.001 58.000 -0.099 0.000 1.239 76 F CB -0.324 38.546 39.000 -0.215 0.000 0.991 76 F HN -0.219 nan 8.300 nan 0.000 0.474 77 V N 0.914 120.659 119.914 -0.281 0.000 2.343 77 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 77 V C 2.548 178.458 176.094 -0.306 0.000 1.051 77 V CA 2.184 64.241 62.300 -0.404 0.000 1.036 77 V CB -0.839 30.833 31.823 -0.252 0.000 0.654 77 V HN 0.452 nan 8.190 nan 0.000 0.451 78 Q N 0.264 119.963 119.800 -0.169 0.000 2.061 78 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 78 Q C 2.415 178.359 176.000 -0.094 0.000 0.984 78 Q CA 2.514 58.272 55.803 -0.074 0.000 0.846 78 Q CB -0.388 28.334 28.738 -0.027 0.000 0.902 78 Q HN 0.641 nan 8.270 nan 0.000 0.421 79 S N 0.600 116.209 115.700 -0.151 0.000 2.356 79 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 79 S C 1.956 176.450 174.600 -0.177 0.000 1.032 79 S CA 1.274 59.395 58.200 -0.131 0.000 1.005 79 S CB -0.347 62.789 63.200 -0.107 0.000 0.867 79 S HN 0.574 nan 8.310 nan 0.000 0.449 80 A N 0.642 123.214 122.820 -0.414 0.000 1.897 80 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 80 A C 1.877 179.341 177.584 -0.201 0.000 1.181 80 A CA 0.972 52.735 52.037 -0.457 0.000 0.620 80 A CB -0.782 17.489 19.000 -1.216 0.000 0.821 80 A HN 0.462 nan 8.150 nan 0.000 0.443 81 F N 1.071 120.787 119.950 -0.390 0.000 2.269 81 F HA -0.098 4.429 4.527 -0.000 0.000 0.301 81 F C 2.053 177.745 175.800 -0.180 0.000 1.082 81 F CA 1.670 59.489 58.000 -0.302 0.000 1.360 81 F CB -0.198 38.569 39.000 -0.389 0.000 1.041 81 F HN 0.461 nan 8.300 nan 0.000 0.512 82 E N 0.292 120.408 120.200 -0.141 0.000 2.204 82 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 82 E C 1.740 178.277 176.600 -0.105 0.000 0.990 82 E CA 1.098 57.422 56.400 -0.126 0.000 0.821 82 E CB -0.084 29.599 29.700 -0.029 0.000 0.750 82 E HN 0.414 nan 8.360 nan 0.000 0.477 83 K N -0.044 120.333 120.400 -0.037 0.000 2.525 83 K HA 0.020 4.340 4.320 -0.000 0.000 0.192 83 K C 1.091 177.728 176.600 0.062 0.000 1.029 83 K CA 0.255 56.567 56.287 0.041 0.000 1.029 83 K CB 0.264 32.845 32.500 0.135 0.000 0.814 83 K HN 0.243 nan 8.250 nan 0.000 0.503 84 L N 0.644 121.799 121.223 -0.112 0.000 2.791 84 L HA 0.099 4.439 4.340 -0.000 0.000 0.239 84 L C 1.845 178.543 176.870 -0.286 0.000 1.203 84 L CA -0.178 54.535 54.840 -0.211 0.000 1.002 84 L CB 0.127 42.014 42.059 -0.285 0.000 1.295 84 L HN 0.040 nan 8.230 nan 0.000 0.504 85 Q N 1.006 120.743 119.800 -0.105 0.000 2.197 85 Q HA -0.244 4.096 4.340 -0.000 0.000 0.207 85 Q C 2.233 178.255 176.000 0.037 0.000 0.984 85 Q CA 1.999 57.787 55.803 -0.025 0.000 0.869 85 Q CB -0.027 28.735 28.738 0.040 0.000 0.906 85 Q HN 0.667 nan 8.270 nan 0.000 0.426 86 H N -1.582 117.460 119.070 -0.047 0.000 2.529 86 H HA 0.006 4.562 4.556 -0.000 0.000 0.277 86 H C 1.212 176.535 175.328 -0.009 0.000 0.999 86 H CA 0.873 56.908 56.048 -0.021 0.000 1.256 86 H CB 0.111 29.857 29.762 -0.026 0.000 1.402 86 H HN 0.291 nan 8.280 nan 0.000 0.566 87 I N 0.235 120.505 120.570 -0.499 0.000 3.265 87 I HA 0.103 4.273 4.170 -0.000 0.000 0.282 87 I C 0.516 176.563 176.117 -0.118 0.000 1.207 87 I CA 0.146 61.253 61.300 -0.322 0.000 1.449 87 I CB -0.075 37.688 38.000 -0.396 0.000 1.121 87 I HN 0.055 nan 8.210 nan 0.000 0.442 88 R N 1.751 122.189 120.500 -0.104 0.000 2.928 88 R HA 0.320 4.660 4.340 -0.000 0.000 0.248 88 R C -2.833 173.581 176.300 0.191 0.000 1.796 88 R CA -1.489 54.643 56.100 0.052 0.000 1.477 88 R CB 0.718 31.016 30.300 -0.004 0.000 1.484 88 R HN -0.106 nan 8.270 nan 0.000 0.623 89 P HA 0.533 nan 4.420 nan 0.000 0.272 89 P C -0.235 177.191 177.300 0.209 0.000 1.230 89 P CA 0.117 63.337 63.100 0.200 0.000 0.788 89 P CB 1.416 33.165 31.700 0.082 0.000 0.949 90 G N 0.167 108.952 108.800 -0.026 0.000 2.361 90 G HA2 0.144 4.104 3.960 -0.000 0.000 0.305 90 G HA3 0.144 4.104 3.960 -0.000 0.000 0.305 90 G C -1.988 172.537 174.900 -0.623 0.000 1.367 90 G CA -0.613 44.151 45.100 -0.561 0.000 0.951 90 G HN 0.548 nan 8.290 nan 0.000 0.615 91 D N 0.303 120.329 120.400 -0.622 0.000 2.485 91 D HA 0.494 5.134 4.640 -0.000 0.000 0.221 91 D C -0.540 175.559 176.300 -0.335 0.000 1.112 91 D CA -0.340 53.472 54.000 -0.313 0.000 0.911 91 D CB 0.013 40.701 40.800 -0.187 0.000 1.019 91 D HN 0.379 nan 8.370 nan 0.000 0.516 92 W N 2.576 123.887 121.300 0.018 0.000 2.381 92 W HA 0.411 5.071 4.660 -0.000 0.000 0.329 92 W C 0.606 177.153 176.519 0.047 0.000 1.157 92 W CA -0.991 56.384 57.345 0.050 0.000 1.240 92 W CB 0.843 30.384 29.460 0.134 0.000 1.199 92 W HN 0.220 nan 8.180 nan 0.000 0.579 93 N N 0.994 119.875 118.700 0.302 0.000 2.258 93 N HA 0.623 5.363 4.740 -0.000 0.000 0.299 93 N C -2.074 173.516 175.510 0.134 0.000 1.047 93 N CA -0.551 52.604 53.050 0.174 0.000 0.814 93 N CB 1.730 40.291 38.487 0.124 0.000 1.413 93 N HN 0.177 nan 8.380 nan 0.000 0.478 94 V N 3.161 123.124 119.914 0.083 0.000 2.487 94 V HA 0.579 4.699 4.120 -0.000 0.000 0.298 94 V C -0.666 175.438 176.094 0.017 0.000 1.028 94 V CA -0.693 61.621 62.300 0.023 0.000 0.860 94 V CB 1.325 33.143 31.823 -0.009 0.000 0.991 94 V HN 0.834 nan 8.190 nan 0.000 0.427 95 K N 3.389 123.790 120.400 0.003 0.000 2.523 95 K HA 0.588 4.908 4.320 -0.000 0.000 0.257 95 K C -1.071 175.529 176.600 -0.000 0.000 0.932 95 K CA -0.845 55.449 56.287 0.011 0.000 0.812 95 K CB 2.488 35.010 32.500 0.036 0.000 1.326 95 K HN 0.540 nan 8.250 nan 0.000 0.433 96 Q N 2.845 122.646 119.800 0.001 0.000 2.288 96 Q HA 0.196 4.536 4.340 -0.000 0.000 0.258 96 Q C -0.764 175.241 176.000 0.009 0.000 0.957 96 Q CA -0.357 55.444 55.803 -0.003 0.000 0.919 96 Q CB 1.217 29.952 28.738 -0.005 0.000 1.185 96 Q HN 0.676 nan 8.270 nan 0.000 0.408 97 V N 3.439 123.358 119.914 0.009 0.000 3.671 97 V HA 0.352 4.472 4.120 -0.000 0.000 0.202 97 V C 1.139 177.240 176.094 0.011 0.000 1.188 97 V CA 0.622 62.933 62.300 0.019 0.000 1.325 97 V CB -0.568 31.275 31.823 0.034 0.000 1.470 97 V HN 1.143 nan 8.190 nan 0.000 0.520 98 G N 1.440 110.244 108.800 0.008 0.000 2.591 98 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.298 98 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.298 98 G C 1.038 175.939 174.900 0.002 0.000 1.195 98 G CA 1.288 46.391 45.100 0.004 0.000 0.989 98 G HN 1.315 nan 8.290 nan 0.000 0.551 99 S N 0.524 116.225 115.700 0.001 0.000 2.607 99 S HA 0.120 4.590 4.470 -0.000 0.000 0.224 99 S C 1.813 176.412 174.600 -0.002 0.000 0.969 99 S CA 1.126 59.324 58.200 -0.003 0.000 0.927 99 S CB 0.040 63.237 63.200 -0.004 0.000 0.772 99 S HN 0.694 nan 8.310 nan 0.000 0.533 100 R N 1.163 121.665 120.500 0.003 0.000 2.285 100 R HA 0.198 4.538 4.340 -0.000 0.000 0.213 100 R C 0.020 176.324 176.300 0.006 0.000 1.068 100 R CA 0.569 56.672 56.100 0.005 0.000 1.004 100 R CB -0.223 30.083 30.300 0.009 0.000 0.873 100 R HN 0.495 nan 8.270 nan 0.000 0.467 101 N N -0.207 118.496 118.700 0.005 0.000 2.846 101 N HA 0.111 4.851 4.740 -0.000 0.000 0.248 101 N C -1.760 173.749 175.510 -0.002 0.000 1.097 101 N CA -0.561 52.492 53.050 0.004 0.000 1.013 101 N CB 1.165 39.660 38.487 0.013 0.000 1.686 101 N HN -0.124 nan 8.380 nan 0.000 0.520 102 R N 2.294 122.786 120.500 -0.013 0.000 2.598 102 R HA 0.583 4.923 4.340 -0.000 0.000 0.279 102 R C -0.098 176.191 176.300 -0.018 0.000 0.984 102 R CA -0.582 55.503 56.100 -0.026 0.000 0.999 102 R CB 0.565 30.837 30.300 -0.048 0.000 1.114 102 R HN 0.601 nan 8.270 nan 0.000 0.493 103 L N 2.402 123.613 121.223 -0.020 0.000 4.291 103 L HA -0.221 4.119 4.340 -0.000 0.000 0.413 103 L C 0.918 177.801 176.870 0.021 0.000 1.162 103 L CA 1.619 56.462 54.840 0.004 0.000 0.961 103 L CB -1.278 40.783 42.059 0.004 0.000 2.095 103 L HN 0.864 nan 8.230 nan 0.000 0.838 104 E N 0.532 120.753 120.200 0.035 0.000 2.153 104 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 104 E C 1.994 178.680 176.600 0.143 0.000 0.988 104 E CA 2.002 58.447 56.400 0.074 0.000 0.811 104 E CB -0.213 29.551 29.700 0.106 0.000 0.746 104 E HN 0.763 nan 8.360 nan 0.000 0.466 105 I N -2.133 118.523 120.570 0.144 0.000 2.756 105 I HA 0.043 4.213 4.170 -0.000 0.000 0.262 105 I C 2.067 178.320 176.117 0.226 0.000 1.225 105 I CA 1.125 62.573 61.300 0.247 0.000 1.472 105 I CB -0.358 37.637 38.000 -0.008 0.000 1.094 105 I HN 0.116 nan 8.210 nan 0.000 0.454 106 A N 1.597 124.473 122.820 0.093 0.000 2.239 106 A HA 0.054 4.374 4.320 -0.000 0.000 0.209 106 A C 2.249 179.802 177.584 -0.053 0.000 1.171 106 A CA 0.429 52.500 52.037 0.057 0.000 0.768 106 A CB -0.618 18.403 19.000 0.036 0.000 0.790 106 A HN 0.502 nan 8.150 nan 0.000 0.478 107 R N -1.596 118.771 120.500 -0.222 0.000 2.299 107 R HA 0.087 4.427 4.340 -0.000 0.000 0.197 107 R C -0.634 175.206 176.300 -0.767 0.000 0.971 107 R CA 0.328 56.124 56.100 -0.506 0.000 1.030 107 R CB -0.053 29.841 30.300 -0.678 0.000 0.932 107 R HN 0.613 nan 8.270 nan 0.000 0.477 108 Y N -0.074 120.296 120.300 0.116 0.000 2.487 108 Y HA 0.125 4.675 4.550 -0.000 0.000 0.337 108 Y C 1.545 177.521 175.900 0.127 0.000 1.076 108 Y CA -0.911 57.267 58.100 0.130 0.000 1.115 108 Y CB 1.193 39.755 38.460 0.170 0.000 1.235 108 Y HN -0.221 nan 8.280 nan 0.000 0.468 109 Q N 0.735 120.664 119.800 0.215 0.000 2.082 109 Q HA -0.330 4.010 4.340 -0.000 0.000 0.211 109 Q C 1.289 177.332 176.000 0.071 0.000 1.002 109 Q CA 2.670 58.545 55.803 0.120 0.000 0.868 109 Q CB 0.025 28.823 28.738 0.100 0.000 0.931 109 Q HN 0.844 nan 8.270 nan 0.000 0.414 110 Q N -1.448 118.359 119.800 0.013 0.000 2.437 110 Q HA -0.119 4.221 4.340 -0.000 0.000 0.210 110 Q C 0.172 175.880 176.000 -0.487 0.000 0.972 110 Q CA 1.074 56.715 55.803 -0.270 0.000 0.903 110 Q CB 0.232 28.691 28.738 -0.465 0.000 0.967 110 Q HN 0.521 nan 8.270 nan 0.000 0.486 111 Y N -2.233 118.166 120.300 0.166 0.000 2.707 111 Y HA 0.464 5.014 4.550 -0.000 0.000 0.249 111 Y C 1.470 177.322 175.900 -0.080 0.000 1.166 111 Y CA -0.213 57.899 58.100 0.020 0.000 1.184 111 Y CB 0.241 38.717 38.460 0.025 0.000 1.240 111 Y HN 0.059 nan 8.280 nan 0.000 0.547 112 A N 0.579 123.482 122.820 0.139 0.000 1.986 112 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 112 A C 1.962 179.581 177.584 0.058 0.000 1.171 112 A CA 2.245 54.334 52.037 0.086 0.000 0.640 112 A CB -0.858 18.196 19.000 0.090 0.000 0.811 112 A HN 0.685 nan 8.150 nan 0.000 0.451 113 H N -0.428 118.658 119.070 0.027 0.000 2.545 113 H HA 0.072 4.628 4.556 -0.000 0.000 0.282 113 H C 1.591 176.924 175.328 0.009 0.000 1.020 113 H CA 1.076 57.127 56.048 0.005 0.000 1.243 113 H CB -0.784 28.963 29.762 -0.025 0.000 1.377 113 H HN 0.481 nan 8.280 nan 0.000 0.581 114 L N 0.760 121.772 121.223 -0.352 0.000 2.275 114 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 114 L C 2.319 179.200 176.870 0.018 0.000 1.119 114 L CA 1.218 55.941 54.840 -0.196 0.000 0.790 114 L CB -0.527 41.488 42.059 -0.073 0.000 0.919 114 L HN 0.236 nan 8.230 nan 0.000 0.443 115 T N 0.199 114.765 114.554 0.020 0.000 2.708 115 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 115 T C 2.082 176.810 174.700 0.048 0.000 1.037 115 T CA 1.393 63.521 62.100 0.045 0.000 1.146 115 T CB -0.124 68.760 68.868 0.027 0.000 0.865 115 T HN 0.456 nan 8.240 nan 0.000 0.435 116 A N 1.142 123.986 122.820 0.039 0.000 1.933 116 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 116 A C 2.292 179.899 177.584 0.038 0.000 1.175 116 A CA 1.134 53.195 52.037 0.039 0.000 0.628 116 A CB -0.786 18.241 19.000 0.045 0.000 0.814 116 A HN 0.475 nan 8.150 nan 0.000 0.444 117 L N -0.920 120.317 121.223 0.022 0.000 2.056 117 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 117 L C 3.098 180.024 176.870 0.093 0.000 1.078 117 L CA 1.060 55.905 54.840 0.008 0.000 0.749 117 L CB -0.607 41.367 42.059 -0.142 0.000 0.901 117 L HN 0.433 nan 8.230 nan 0.000 0.433 118 A N -0.141 122.774 122.820 0.159 0.000 1.933 118 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 118 A C 2.317 179.956 177.584 0.091 0.000 1.175 118 A CA 1.341 53.485 52.037 0.178 0.000 0.628 118 A CB -0.243 18.857 19.000 0.167 0.000 0.814 118 A HN 0.212 nan 8.150 nan 0.000 0.444 119 K N -0.024 120.416 120.400 0.066 0.000 2.057 119 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 119 K C 2.262 178.886 176.600 0.040 0.000 1.050 119 K CA 1.283 57.596 56.287 0.043 0.000 0.935 119 K CB -0.784 31.736 32.500 0.033 0.000 0.715 119 K HN 0.443 nan 8.250 nan 0.000 0.439 120 A N 1.638 124.483 122.820 0.042 0.000 1.902 120 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 120 A C 2.428 180.037 177.584 0.041 0.000 1.181 120 A CA 2.004 54.062 52.037 0.035 0.000 0.623 120 A CB -0.589 18.429 19.000 0.031 0.000 0.818 120 A HN 0.298 nan 8.150 nan 0.000 0.443 121 A N -0.461 122.395 122.820 0.059 0.000 1.969 121 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 121 A C 1.971 179.581 177.584 0.044 0.000 1.169 121 A CA 1.661 53.735 52.037 0.061 0.000 0.635 121 A CB -0.490 18.567 19.000 0.096 0.000 0.810 121 A HN 0.680 nan 8.150 nan 0.000 0.445 122 E N -0.203 120.021 120.200 0.041 0.000 2.204 122 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 122 E C 1.427 178.040 176.600 0.022 0.000 0.990 122 E CA 1.280 57.697 56.400 0.028 0.000 0.821 122 E CB -0.031 29.685 29.700 0.026 0.000 0.750 122 E HN 0.770 nan 8.360 nan 0.000 0.477 123 E N -0.380 119.833 120.200 0.023 0.000 2.473 123 E HA 0.040 4.390 4.350 -0.000 0.000 0.204 123 E C -0.201 176.410 176.600 0.017 0.000 0.994 123 E CA -0.119 56.292 56.400 0.018 0.000 0.945 123 E CB 0.443 30.153 29.700 0.016 0.000 0.990 123 E HN -0.019 nan 8.360 nan 0.000 0.493 124 N N 1.245 119.957 118.700 0.021 0.000 2.540 124 N HA 0.099 4.839 4.740 -0.000 0.000 0.275 124 N C -1.964 173.560 175.510 0.023 0.000 1.053 124 N CA -2.051 51.011 53.050 0.020 0.000 0.876 124 N CB 1.562 40.061 38.487 0.020 0.000 1.284 124 N HN -0.276 nan 8.380 nan 0.000 0.518 125 P HA -0.284 nan 4.420 nan 0.000 0.212 125 P C 0.913 178.227 177.300 0.024 0.000 1.174 125 P CA 1.463 64.575 63.100 0.020 0.000 0.934 125 P CB 0.321 32.030 31.700 0.015 0.000 0.791 126 E N 0.807 121.020 120.200 0.021 0.000 2.082 126 E HA -0.239 4.111 4.350 -0.000 0.000 0.215 126 E C 2.219 178.837 176.600 0.031 0.000 1.048 126 E CA 1.910 58.324 56.400 0.023 0.000 0.869 126 E CB -1.606 28.105 29.700 0.019 0.000 0.773 126 E HN 0.229 nan 8.360 nan 0.000 0.466 127 L N -0.086 121.157 121.223 0.032 0.000 2.054 127 L HA -0.346 3.994 4.340 -0.000 0.000 0.220 127 L C 2.659 179.566 176.870 0.061 0.000 1.081 127 L CA 1.842 56.707 54.840 0.041 0.000 0.780 127 L CB -0.948 41.136 42.059 0.041 0.000 0.893 127 L HN 0.365 nan 8.230 nan 0.000 0.438 128 A N -0.337 122.519 122.820 0.059 0.000 1.908 128 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 128 A C 2.520 180.140 177.584 0.060 0.000 1.181 128 A CA 1.928 54.006 52.037 0.068 0.000 0.627 128 A CB -0.712 18.315 19.000 0.045 0.000 0.818 128 A HN 0.455 nan 8.150 nan 0.000 0.445 129 A N -0.570 122.276 122.820 0.043 0.000 1.930 129 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 129 A C 2.420 180.030 177.584 0.043 0.000 1.175 129 A CA 1.951 54.010 52.037 0.036 0.000 0.627 129 A CB -0.737 18.279 19.000 0.026 0.000 0.815 129 A HN 0.953 nan 8.150 nan 0.000 0.443 130 A N -0.361 122.486 122.820 0.046 0.000 1.878 130 A HA 0.198 4.518 4.320 -0.000 0.000 0.213 130 A C 2.071 179.693 177.584 0.064 0.000 1.192 130 A CA 1.059 53.123 52.037 0.045 0.000 0.619 130 A CB -0.500 18.521 19.000 0.034 0.000 0.837 130 A HN 0.411 nan 8.150 nan 0.000 0.446 131 L N -0.956 120.318 121.223 0.086 0.000 2.141 131 L HA 0.189 4.529 4.340 -0.000 0.000 0.209 131 L C 1.570 178.578 176.870 0.229 0.000 1.094 131 L CA 0.587 55.503 54.840 0.126 0.000 0.763 131 L CB -1.166 40.973 42.059 0.134 0.000 0.908 131 L HN 0.665 nan 8.230 nan 0.000 0.437 132 G N -0.111 108.798 108.800 0.182 0.000 2.660 132 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 132 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 132 G C 0.355 175.304 174.900 0.082 0.000 1.345 132 G CA -0.041 45.141 45.100 0.136 0.000 0.877 132 G HN 0.327 nan 8.290 nan 0.000 0.549 133 S N -2.306 113.344 115.700 -0.083 0.000 2.648 133 S HA 0.220 4.690 4.470 -0.000 0.000 0.270 133 S C 1.001 175.361 174.600 -0.400 0.000 1.080 133 S CA 1.118 59.121 58.200 -0.328 0.000 1.159 133 S CB 0.638 63.730 63.200 -0.181 0.000 1.091 133 S HN 0.508 nan 8.310 nan 0.000 0.605 134 D N 2.104 122.395 120.400 -0.181 0.000 2.350 134 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 134 D C 1.454 177.694 176.300 -0.099 0.000 0.968 134 D CA 0.907 54.835 54.000 -0.119 0.000 0.894 134 D CB -0.440 40.342 40.800 -0.031 0.000 0.909 134 D HN 0.806 nan 8.370 nan 0.000 0.520 135 Y N 0.416 120.706 120.300 -0.017 0.000 2.639 135 Y HA -0.039 4.511 4.550 -0.000 0.000 0.297 135 Y C 1.981 177.851 175.900 -0.049 0.000 1.151 135 Y CA 1.035 59.117 58.100 -0.030 0.000 1.335 135 Y CB -1.241 37.213 38.460 -0.011 0.000 0.994 135 Y HN -0.096 nan 8.280 nan 0.000 0.548 136 T N -2.098 112.258 114.554 -0.329 0.000 3.100 136 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 136 T C 0.497 175.131 174.700 -0.110 0.000 1.118 136 T CA -0.222 61.752 62.100 -0.210 0.000 1.058 136 T CB -0.674 68.010 68.868 -0.307 0.000 0.953 136 T HN 0.308 nan 8.240 nan 0.000 0.515 137 I N 3.160 123.672 120.570 -0.096 0.000 2.533 137 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 137 I C 0.228 176.316 176.117 -0.048 0.000 1.109 137 I CA -0.215 61.047 61.300 -0.062 0.000 1.412 137 I CB 0.702 38.671 38.000 -0.051 0.000 1.396 137 I HN 0.096 nan 8.210 nan 0.000 0.543 138 T N 7.552 122.086 114.554 -0.032 0.000 2.882 138 T HA 0.285 4.635 4.350 -0.000 0.000 0.287 138 T C -2.184 172.503 174.700 -0.021 0.000 0.992 138 T CA -1.098 60.989 62.100 -0.021 0.000 1.076 138 T CB 1.126 69.996 68.868 0.003 0.000 0.961 138 T HN 0.331 nan 8.240 nan 0.000 0.490 139 P HA 0.143 nan 4.420 nan 0.000 0.269 139 P C 0.411 177.702 177.300 -0.014 0.000 1.215 139 P CA -0.303 62.782 63.100 -0.026 0.000 0.780 139 P CB 0.526 32.202 31.700 -0.040 0.000 0.898 140 D N 0.651 121.046 120.400 -0.009 0.000 2.104 140 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 140 D C 0.758 177.048 176.300 -0.017 0.000 0.994 140 D CA 1.712 55.709 54.000 -0.005 0.000 0.830 140 D CB -0.073 40.730 40.800 0.005 0.000 0.959 140 D HN 0.319 nan 8.370 nan 0.000 0.452 141 I N 0.451 121.001 120.570 -0.033 0.000 2.582 141 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 141 I C -0.470 175.612 176.117 -0.059 0.000 1.066 141 I CA -0.989 60.284 61.300 -0.046 0.000 1.053 141 I CB 2.703 40.661 38.000 -0.070 0.000 1.241 141 I HN -0.170 nan 8.210 nan 0.000 0.421 142 I N 3.055 123.590 120.570 -0.059 0.000 2.740 142 I HA 0.767 4.937 4.170 -0.000 0.000 0.303 142 I C -1.188 174.880 176.117 -0.082 0.000 1.044 142 I CA -0.984 60.264 61.300 -0.086 0.000 1.064 142 I CB 2.187 40.115 38.000 -0.121 0.000 1.249 142 I HN 0.147 nan 8.210 nan 0.000 0.433 143 V N 3.007 122.876 119.914 -0.074 0.000 2.495 143 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 143 V C 0.199 176.335 176.094 0.069 0.000 1.031 143 V CA -0.152 62.145 62.300 -0.004 0.000 0.871 143 V CB 1.850 33.644 31.823 -0.047 0.000 0.988 143 V HN 1.021 nan 8.190 nan 0.000 0.432 144 T N 2.154 116.774 114.554 0.110 0.000 2.916 144 T HA 0.736 5.086 4.350 -0.000 0.000 0.292 144 T C -0.688 174.143 174.700 0.219 0.000 1.064 144 T CA -0.941 61.206 62.100 0.078 0.000 1.011 144 T CB 2.360 71.153 68.868 -0.126 0.000 1.152 144 T HN 0.616 nan 8.240 nan 0.000 0.510 145 R N 1.448 121.999 120.500 0.085 0.000 2.480 145 R HA 0.435 4.775 4.340 -0.000 0.000 0.306 145 R C -0.845 175.374 176.300 -0.135 0.000 0.958 145 R CA -0.675 55.291 56.100 -0.223 0.000 0.861 145 R CB 0.910 30.921 30.300 -0.482 0.000 1.171 145 R HN 0.661 nan 8.270 nan 0.000 0.445 146 N N 3.167 121.764 118.700 -0.172 0.000 2.467 146 N HA 0.208 4.947 4.740 -0.000 0.000 0.262 146 N C 0.027 175.467 175.510 -0.116 0.000 1.234 146 N CA -0.188 52.812 53.050 -0.085 0.000 0.952 146 N CB 0.714 39.160 38.487 -0.067 0.000 1.158 146 N HN 0.426 nan 8.380 nan 0.000 0.463 147 L N 0.945 122.134 121.223 -0.057 0.000 2.475 147 L HA 0.375 4.715 4.340 -0.000 0.000 0.253 147 L C 0.495 177.326 176.870 -0.065 0.000 1.198 147 L CA -0.332 54.476 54.840 -0.054 0.000 0.814 147 L CB 0.274 42.322 42.059 -0.018 0.000 1.134 147 L HN 0.286 nan 8.230 nan 0.000 0.478 148 I N 0.530 121.066 120.570 -0.056 0.000 2.441 148 I HA 0.440 4.610 4.170 -0.000 0.000 0.295 148 I C 0.279 176.378 176.117 -0.030 0.000 0.994 148 I CA -0.572 60.697 61.300 -0.051 0.000 1.144 148 I CB 1.830 39.798 38.000 -0.055 0.000 1.314 148 I HN 0.628 nan 8.210 nan 0.000 0.445 149 A N 3.542 126.347 122.820 -0.025 0.000 2.332 149 A HA 0.194 4.514 4.320 -0.000 0.000 0.258 149 A C 0.685 178.266 177.584 -0.005 0.000 1.087 149 A CA -0.327 51.703 52.037 -0.013 0.000 0.802 149 A CB 0.258 19.252 19.000 -0.010 0.000 1.042 149 A HN 0.801 nan 8.150 nan 0.000 0.489 150 D N 1.208 121.611 120.400 0.005 0.000 2.182 150 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 150 D C 2.136 178.454 176.300 0.031 0.000 0.986 150 D CA 1.881 55.893 54.000 0.020 0.000 0.847 150 D CB -0.294 40.528 40.800 0.036 0.000 0.942 150 D HN 0.639 nan 8.370 nan 0.000 0.467 151 A N 0.612 123.445 122.820 0.022 0.000 1.940 151 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 151 A C 2.133 179.727 177.584 0.017 0.000 1.176 151 A CA 1.917 53.967 52.037 0.021 0.000 0.631 151 A CB -0.388 18.618 19.000 0.009 0.000 0.814 151 A HN 0.161 nan 8.150 nan 0.000 0.446 152 E N 0.185 120.389 120.200 0.007 0.000 2.076 152 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 152 E C 1.710 178.314 176.600 0.006 0.000 0.979 152 E CA 1.060 57.460 56.400 0.001 0.000 0.807 152 E CB -0.416 29.276 29.700 -0.014 0.000 0.761 152 E HN 0.595 nan 8.360 nan 0.000 0.454 153 I N 1.003 121.576 120.570 0.005 0.000 2.208 153 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 153 I C 0.937 177.067 176.117 0.021 0.000 1.097 153 I CA 1.112 62.415 61.300 0.006 0.000 1.363 153 I CB -0.292 37.706 38.000 -0.003 0.000 1.051 153 I HN 0.078 nan 8.210 nan 0.000 0.413 154 N N 0.810 119.536 118.700 0.044 0.000 2.346 154 N HA 0.009 4.749 4.740 -0.000 0.000 0.225 154 N C 1.375 176.923 175.510 0.064 0.000 1.144 154 N CA 0.078 53.177 53.050 0.081 0.000 0.837 154 N CB -0.053 38.528 38.487 0.157 0.000 1.069 154 N HN 0.282 nan 8.380 nan 0.000 0.487 155 R N 0.960 121.482 120.500 0.038 0.000 2.091 155 R HA -0.008 4.332 4.340 -0.000 0.000 0.238 155 R C 0.920 177.237 176.300 0.029 0.000 1.136 155 R CA 1.672 57.788 56.100 0.027 0.000 0.959 155 R CB 0.155 30.466 30.300 0.017 0.000 0.856 155 R HN 0.139 nan 8.270 nan 0.000 0.437 156 N N -0.671 118.049 118.700 0.033 0.000 2.348 156 N HA 0.079 4.819 4.740 -0.000 0.000 0.183 156 N C -0.480 175.057 175.510 0.045 0.000 1.094 156 N CA 0.469 53.539 53.050 0.032 0.000 0.885 156 N CB 0.832 39.334 38.487 0.025 0.000 1.065 156 N HN 0.308 nan 8.380 nan 0.000 0.472 157 E N -0.656 119.583 120.200 0.064 0.000 2.433 157 E HA 0.218 4.568 4.350 -0.000 0.000 0.278 157 E C -1.503 175.195 176.600 0.163 0.000 0.976 157 E CA -0.774 55.681 56.400 0.093 0.000 0.793 157 E CB 1.856 31.593 29.700 0.061 0.000 1.311 157 E HN -0.148 nan 8.360 nan 0.000 0.460 158 F N 2.982 122.929 119.950 -0.006 0.000 2.515 158 F HA 0.265 4.792 4.527 -0.000 0.000 0.353 158 F C 0.059 175.855 175.800 -0.008 0.000 1.213 158 F CA -0.339 57.657 58.000 -0.007 0.000 1.194 158 F CB -0.362 38.634 39.000 -0.008 0.000 1.488 158 F HN 0.428 nan 8.300 nan 0.000 0.619 159 L N 4.415 125.569 121.223 -0.114 0.000 2.168 159 L HA 0.136 4.476 4.340 -0.000 0.000 0.203 159 L C 0.343 177.016 176.870 -0.329 0.000 1.078 159 L CA 0.441 55.162 54.840 -0.198 0.000 0.780 159 L CB -0.367 41.645 42.059 -0.079 0.000 0.939 159 L HN 0.364 nan 8.230 nan 0.000 0.451 160 V N -3.095 116.627 119.914 -0.321 0.000 3.078 160 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 160 V C -1.522 174.429 176.094 -0.239 0.000 1.138 160 V CA -0.915 61.219 62.300 -0.277 0.000 1.007 160 V CB 2.140 33.886 31.823 -0.128 0.000 1.045 160 V HN 0.214 nan 8.190 nan 0.000 0.432 161 D N 0.698 120.999 120.400 -0.165 0.000 2.781 161 D HA 0.330 4.970 4.640 -0.000 0.000 0.295 161 D C 0.610 176.889 176.300 -0.035 0.000 1.143 161 D CA 0.043 54.033 54.000 -0.016 0.000 1.076 161 D CB 0.755 41.591 40.800 0.061 0.000 1.444 161 D HN 0.578 nan 8.370 nan 0.000 0.567 162 E N -0.312 119.881 120.200 -0.011 0.000 2.516 162 E HA -0.065 4.285 4.350 -0.000 0.000 0.199 162 E C -0.088 176.472 176.600 -0.066 0.000 1.069 162 E CA 0.443 56.819 56.400 -0.039 0.000 0.876 162 E CB -0.556 29.131 29.700 -0.023 0.000 0.843 162 E HN 0.382 nan 8.360 nan 0.000 0.530 163 N N 0.405 119.067 118.700 -0.063 0.000 2.204 163 N HA 0.194 4.934 4.740 -0.000 0.000 0.219 163 N C -0.436 175.021 175.510 -0.088 0.000 1.151 163 N CA -0.136 52.871 53.050 -0.072 0.000 0.867 163 N CB 0.995 39.456 38.487 -0.043 0.000 1.043 163 N HN 0.167 nan 8.380 nan 0.000 0.516 164 I N -0.435 120.071 120.570 -0.106 0.000 2.802 164 I HA 0.497 4.667 4.170 -0.000 0.000 0.298 164 I C -0.570 175.478 176.117 -0.115 0.000 1.176 164 I CA -0.590 60.647 61.300 -0.104 0.000 1.025 164 I CB 1.832 39.766 38.000 -0.111 0.000 1.243 164 I HN 0.058 nan 8.210 nan 0.000 0.424 165 A N 3.515 126.278 122.820 -0.094 0.000 2.640 165 A HA -0.232 4.088 4.320 -0.000 0.000 0.300 165 A C 1.201 178.704 177.584 -0.134 0.000 1.499 165 A CA 1.430 53.419 52.037 -0.079 0.000 0.759 165 A CB -2.645 16.318 19.000 -0.061 0.000 1.048 165 A HN 1.377 nan 8.150 nan 0.000 0.450 166 T N -4.181 110.215 114.554 -0.262 0.000 3.085 166 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 166 T C 1.041 175.423 174.700 -0.531 0.000 1.127 166 T CA 1.708 63.551 62.100 -0.429 0.000 1.103 166 T CB -0.340 68.173 68.868 -0.591 0.000 0.921 166 T HN 0.702 nan 8.240 nan 0.000 0.510 167 Y N 1.004 121.294 120.300 -0.016 0.000 2.481 167 Y HA 0.641 5.191 4.550 -0.000 0.000 0.247 167 Y C 1.476 177.367 175.900 -0.014 0.000 1.151 167 Y CA -1.007 57.084 58.100 -0.015 0.000 1.238 167 Y CB 0.171 38.621 38.460 -0.017 0.000 1.179 167 Y HN 0.266 nan 8.280 nan 0.000 0.524 168 A N 0.459 123.322 122.820 0.072 0.000 2.548 168 A HA 0.056 4.376 4.320 -0.000 0.000 0.247 168 A C 1.395 179.005 177.584 0.043 0.000 1.067 168 A CA 0.543 52.608 52.037 0.047 0.000 0.757 168 A CB 0.186 19.192 19.000 0.011 0.000 0.996 168 A HN 0.445 nan 8.150 nan 0.000 0.504 169 S N 2.195 117.921 115.700 0.044 0.000 2.387 169 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 169 S C 1.670 176.286 174.600 0.026 0.000 1.035 169 S CA 1.783 60.007 58.200 0.039 0.000 1.014 169 S CB -0.416 62.807 63.200 0.038 0.000 0.836 169 S HN 0.664 nan 8.310 nan 0.000 0.466 170 L N 0.617 121.848 121.223 0.013 0.000 2.275 170 L HA -0.006 4.334 4.340 -0.000 0.000 0.215 170 L C 0.905 177.767 176.870 -0.012 0.000 1.119 170 L CA 0.609 55.445 54.840 -0.006 0.000 0.790 170 L CB -0.216 41.834 42.059 -0.015 0.000 0.919 170 L HN 0.107 nan 8.230 nan 0.000 0.443 171 R N 0.978 121.474 120.500 -0.007 0.000 2.401 171 R HA 0.360 4.700 4.340 -0.000 0.000 0.299 171 R C 0.154 176.449 176.300 -0.008 0.000 1.064 171 R CA -0.274 55.818 56.100 -0.013 0.000 1.000 171 R CB 0.604 30.892 30.300 -0.020 0.000 0.973 171 R HN 0.042 nan 8.270 nan 0.000 0.438 172 A N 1.780 124.593 122.820 -0.012 0.000 2.371 172 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 172 A C 1.139 178.719 177.584 -0.006 0.000 1.089 172 A CA 0.562 52.594 52.037 -0.007 0.000 0.794 172 A CB 0.705 19.699 19.000 -0.011 0.000 1.029 172 A HN 0.868 nan 8.150 nan 0.000 0.488 173 G N 0.591 109.390 108.800 -0.002 0.000 3.514 173 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.197 173 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.197 173 G C 0.119 175.019 174.900 0.000 0.000 1.098 173 G CA -0.025 45.072 45.100 -0.003 0.000 0.884 173 G HN 0.614 nan 8.290 nan 0.000 0.433 174 N N 1.734 120.438 118.700 0.006 0.000 2.908 174 N HA 0.417 5.157 4.740 -0.000 0.000 0.316 174 N C 1.368 176.890 175.510 0.020 0.000 1.619 174 N CA 0.844 53.903 53.050 0.014 0.000 1.045 174 N CB 0.582 39.082 38.487 0.022 0.000 1.357 174 N HN 1.193 nan 8.380 nan 0.000 0.501 175 G N 0.896 109.704 108.800 0.013 0.000 2.196 175 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.268 175 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.268 175 G C 0.338 175.247 174.900 0.015 0.000 0.975 175 G CA -0.003 45.104 45.100 0.012 0.000 0.648 175 G HN 0.436 nan 8.290 nan 0.000 0.538 176 N N 0.607 119.320 118.700 0.022 0.000 2.412 176 N HA 0.309 5.049 4.740 -0.000 0.000 0.254 176 N C 0.895 176.420 175.510 0.025 0.000 1.232 176 N CA 0.734 53.802 53.050 0.029 0.000 0.880 176 N CB 0.338 38.846 38.487 0.035 0.000 1.076 176 N HN 0.451 nan 8.380 nan 0.000 0.458 177 M N 2.708 122.326 119.600 0.031 0.000 2.369 177 M HA 0.365 4.845 4.480 -0.000 0.000 0.291 177 M C -1.868 174.482 176.300 0.083 0.000 1.178 177 M CA -1.582 53.736 55.300 0.030 0.000 0.996 177 M CB 0.709 33.302 32.600 -0.012 0.000 1.472 177 M HN 0.333 nan 8.290 nan 0.000 0.496 178 P HA 0.195 nan 4.420 nan 0.000 0.273 178 P C -1.280 176.201 177.300 0.303 0.000 1.250 178 P CA -0.133 63.087 63.100 0.200 0.000 0.793 178 P CB 0.427 32.282 31.700 0.259 0.000 1.011 179 L N 0.627 121.974 121.223 0.206 0.000 2.334 179 L HA 0.319 4.659 4.340 -0.000 0.000 0.277 179 L C 0.598 177.567 176.870 0.164 0.000 1.075 179 L CA -1.062 53.898 54.840 0.199 0.000 0.804 179 L CB 0.793 42.934 42.059 0.136 0.000 1.174 179 L HN 0.244 nan 8.230 nan 0.000 0.438 180 L N 1.946 123.268 121.223 0.164 0.000 2.278 180 L HA 0.168 4.508 4.340 -0.000 0.000 0.287 180 L C 0.731 177.702 176.870 0.169 0.000 1.072 180 L CA 0.417 55.277 54.840 0.033 0.000 0.819 180 L CB 0.532 42.662 42.059 0.119 0.000 1.176 180 L HN 0.553 nan 8.230 nan 0.000 0.435 181 H N 4.424 123.547 119.070 0.087 0.000 2.418 181 H HA 0.584 5.140 4.556 -0.000 0.000 0.300 181 H C -0.142 175.268 175.328 0.137 0.000 1.041 181 H CA 0.793 56.950 56.048 0.182 0.000 1.364 181 H CB 0.564 30.509 29.762 0.305 0.000 1.439 181 H HN 0.663 nan 8.280 nan 0.000 0.540 182 A N -0.667 122.146 122.820 -0.013 0.000 2.574 182 A HA 0.531 4.851 4.320 -0.000 0.000 0.297 182 A C -1.162 176.381 177.584 -0.068 0.000 1.062 182 A CA -0.256 51.729 52.037 -0.087 0.000 0.686 182 A CB 1.266 20.136 19.000 -0.216 0.000 1.285 182 A HN 0.231 nan 8.150 nan 0.000 0.403 183 S N 1.513 117.182 115.700 -0.050 0.000 2.456 183 S HA 0.703 5.173 4.470 -0.000 0.000 0.316 183 S C -0.810 173.759 174.600 -0.052 0.000 1.089 183 S CA -0.436 57.733 58.200 -0.051 0.000 1.101 183 S CB -0.142 63.036 63.200 -0.036 0.000 0.995 183 S HN 0.510 nan 8.310 nan 0.000 0.468 184 I N 4.280 124.811 120.570 -0.065 0.000 2.382 184 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 184 I C -0.052 176.046 176.117 -0.032 0.000 1.007 184 I CA -0.439 60.822 61.300 -0.066 0.000 1.142 184 I CB 1.898 39.827 38.000 -0.118 0.000 1.289 184 I HN 0.480 nan 8.210 nan 0.000 0.453 185 S N 4.662 120.363 115.700 0.003 0.000 2.525 185 S HA 0.467 4.937 4.470 -0.000 0.000 0.278 185 S C -0.446 174.191 174.600 0.061 0.000 1.234 185 S CA -0.515 57.702 58.200 0.030 0.000 1.058 185 S CB 1.086 64.311 63.200 0.042 0.000 0.983 185 S HN 0.592 nan 8.310 nan 0.000 0.495 186 C N 3.096 122.449 119.300 0.088 0.000 2.456 186 C HA 0.622 5.082 4.460 -0.000 0.000 0.325 186 C C -0.089 175.065 174.990 0.274 0.000 1.217 186 C CA -1.026 58.105 59.018 0.188 0.000 1.687 186 C CB 0.710 28.520 27.740 0.116 0.000 2.270 186 C HN 0.780 nan 8.230 nan 0.000 0.499 187 K N 1.707 122.330 120.400 0.372 0.000 2.613 187 K HA 0.119 4.439 4.320 -0.000 0.000 0.248 187 K C 0.494 177.165 176.600 0.119 0.000 0.959 187 K CA -0.479 55.941 56.287 0.222 0.000 0.855 187 K CB 1.231 33.795 32.500 0.106 0.000 1.143 187 K HN 0.979 nan 8.250 nan 0.000 0.437 188 W N 4.347 125.536 121.300 -0.186 0.000 2.335 188 W HA -0.156 4.504 4.660 0.000 0.000 0.311 188 W C 0.193 176.427 176.519 -0.474 0.000 1.213 188 W CA 2.007 58.971 57.345 -0.636 0.000 1.274 188 W CB 0.442 29.644 29.460 -0.431 0.000 1.148 188 W HN 0.545 nan 8.180 nan 0.000 0.498 189 T N -2.286 112.073 114.554 -0.324 0.000 2.865 189 T HA 0.636 4.986 4.350 -0.000 0.000 0.294 189 T C -0.875 173.742 174.700 -0.138 0.000 1.119 189 T CA -0.832 61.059 62.100 -0.348 0.000 1.007 189 T CB 2.502 71.184 68.868 -0.310 0.000 1.225 189 T HN -0.037 nan 8.240 nan 0.000 0.515 190 I N 0.625 121.127 120.570 -0.112 0.000 2.689 190 I HA 0.625 4.795 4.170 -0.000 0.000 0.299 190 I C -0.460 175.635 176.117 -0.037 0.000 1.059 190 I CA -1.194 60.076 61.300 -0.050 0.000 1.055 190 I CB 2.153 40.133 38.000 -0.033 0.000 1.243 190 I HN 0.417 nan 8.210 nan 0.000 0.425 191 R N 2.190 122.679 120.500 -0.018 0.000 2.686 191 R HA 0.310 4.650 4.340 -0.000 0.000 0.286 191 R C 0.740 177.037 176.300 -0.006 0.000 0.969 191 R CA -0.537 55.555 56.100 -0.013 0.000 0.898 191 R CB 1.954 32.249 30.300 -0.008 0.000 1.183 191 R HN 0.789 nan 8.270 nan 0.000 0.456 192 S N 0.296 115.993 115.700 -0.006 0.000 2.442 192 S HA -0.182 4.288 4.470 -0.000 0.000 0.236 192 S C 1.079 175.680 174.600 0.001 0.000 1.007 192 S CA 1.592 59.791 58.200 -0.002 0.000 0.965 192 S CB -0.119 63.080 63.200 -0.003 0.000 0.773 192 S HN 0.673 nan 8.310 nan 0.000 0.504 193 D N 3.222 123.622 120.400 0.001 0.000 2.110 193 D HA -0.206 4.434 4.640 -0.000 0.000 0.202 193 D C 2.119 178.422 176.300 0.005 0.000 0.975 193 D CA 1.250 55.251 54.000 0.003 0.000 0.839 193 D CB -0.756 40.045 40.800 0.002 0.000 0.996 193 D HN 0.708 nan 8.370 nan 0.000 0.464 194 R N 0.761 121.265 120.500 0.006 0.000 2.280 194 R HA 0.293 4.633 4.340 -0.000 0.000 0.207 194 R C 2.033 178.341 176.300 0.013 0.000 1.043 194 R CA 0.856 56.962 56.100 0.010 0.000 1.006 194 R CB -0.406 29.900 30.300 0.011 0.000 0.885 194 R HN 0.159 nan 8.270 nan 0.000 0.467 195 A N 1.311 124.138 122.820 0.012 0.000 2.066 195 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 195 A C 1.675 179.270 177.584 0.017 0.000 1.157 195 A CA 0.549 52.596 52.037 0.017 0.000 0.670 195 A CB -0.071 18.937 19.000 0.013 0.000 0.804 195 A HN 0.226 nan 8.150 nan 0.000 0.453 196 Q N 0.894 120.702 119.800 0.013 0.000 2.437 196 Q HA -0.141 4.199 4.340 -0.000 0.000 0.210 196 Q C 1.372 177.380 176.000 0.014 0.000 0.972 196 Q CA 1.231 57.042 55.803 0.013 0.000 0.903 196 Q CB -0.576 28.168 28.738 0.010 0.000 0.967 196 Q HN 0.952 nan 8.270 nan 0.000 0.486 197 N N 0.495 119.204 118.700 0.015 0.000 2.453 197 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 197 N C 1.413 176.932 175.510 0.016 0.000 1.041 197 N CA 1.206 54.264 53.050 0.013 0.000 0.900 197 N CB -0.338 38.156 38.487 0.012 0.000 0.961 197 N HN 0.137 nan 8.380 nan 0.000 0.443 198 A N 1.115 123.947 122.820 0.021 0.000 1.969 198 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 198 A C 2.350 179.946 177.584 0.020 0.000 1.169 198 A CA 0.750 52.801 52.037 0.023 0.000 0.635 198 A CB -0.380 18.639 19.000 0.032 0.000 0.810 198 A HN 0.292 nan 8.150 nan 0.000 0.445 199 R N 0.191 120.703 120.500 0.019 0.000 2.073 199 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 199 R C 2.608 178.919 176.300 0.018 0.000 1.120 199 R CA 1.596 57.707 56.100 0.018 0.000 0.967 199 R CB -0.386 29.923 30.300 0.016 0.000 0.862 199 R HN 0.697 nan 8.270 nan 0.000 0.436 200 S N 0.941 116.651 115.700 0.017 0.000 2.383 200 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 200 S C 1.763 176.373 174.600 0.017 0.000 1.026 200 S CA 0.888 59.099 58.200 0.018 0.000 0.981 200 S CB -0.117 63.093 63.200 0.016 0.000 0.818 200 S HN 0.318 nan 8.310 nan 0.000 0.472 201 E N 1.418 121.625 120.200 0.010 0.000 2.106 201 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 201 E C 2.316 178.916 176.600 0.001 0.000 0.984 201 E CA 0.782 57.182 56.400 0.000 0.000 0.806 201 E CB -0.602 29.095 29.700 -0.007 0.000 0.750 201 E HN 0.709 nan 8.360 nan 0.000 0.458 202 G N 1.403 110.210 108.800 0.012 0.000 2.418 202 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 202 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 202 G C 1.541 176.459 174.900 0.030 0.000 1.158 202 G CA 0.413 45.524 45.100 0.019 0.000 0.771 202 G HN 0.130 nan 8.290 nan 0.000 0.545 203 L N 1.198 122.440 121.223 0.032 0.000 2.083 203 L HA 0.010 4.350 4.340 -0.000 0.000 0.209 203 L C 2.295 179.198 176.870 0.056 0.000 1.083 203 L CA 1.594 56.459 54.840 0.041 0.000 0.752 203 L CB -0.583 41.497 42.059 0.035 0.000 0.899 203 L HN 0.087 nan 8.230 nan 0.000 0.433 204 N N -0.471 118.260 118.700 0.051 0.000 2.166 204 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 204 N C 1.889 177.452 175.510 0.087 0.000 1.019 204 N CA 1.530 54.621 53.050 0.069 0.000 0.856 204 N CB -0.271 38.251 38.487 0.059 0.000 0.993 204 N HN 0.387 nan 8.380 nan 0.000 0.426 205 L N 0.201 121.453 121.223 0.049 0.000 2.093 205 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 205 L C 2.222 179.240 176.870 0.247 0.000 1.085 205 L CA 0.569 55.471 54.840 0.103 0.000 0.755 205 L CB -0.323 41.752 42.059 0.027 0.000 0.904 205 L HN -0.045 nan 8.230 nan 0.000 0.435 206 V N -0.044 119.953 119.914 0.139 0.000 2.270 206 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 206 V C 2.554 178.717 176.094 0.115 0.000 1.043 206 V CA 1.761 64.128 62.300 0.112 0.000 1.014 206 V CB -0.557 31.306 31.823 0.066 0.000 0.645 206 V HN 0.412 nan 8.190 nan 0.000 0.447 207 R N 0.446 121.012 120.500 0.110 0.000 2.148 207 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 207 R C 1.493 177.863 176.300 0.117 0.000 1.103 207 R CA 1.185 57.340 56.100 0.092 0.000 0.983 207 R CB -0.219 30.126 30.300 0.075 0.000 0.874 207 R HN 0.518 nan 8.270 nan 0.000 0.451 208 N N 1.079 119.901 118.700 0.203 0.000 2.230 208 N HA -0.005 4.735 4.740 -0.000 0.000 0.202 208 N C -0.155 175.521 175.510 0.277 0.000 1.119 208 N CA -0.003 53.211 53.050 0.273 0.000 0.851 208 N CB 0.472 39.140 38.487 0.301 0.000 0.990 208 N HN 0.287 nan 8.380 nan 0.000 0.497 209 R N 0.860 121.439 120.500 0.132 0.000 2.539 209 R HA 0.276 4.616 4.340 -0.000 0.000 0.275 209 R C -0.556 175.646 176.300 -0.163 0.000 1.077 209 R CA 0.037 56.027 56.100 -0.185 0.000 1.097 209 R CB 0.776 31.011 30.300 -0.107 0.000 1.018 209 R HN -0.231 nan 8.270 nan 0.000 0.483 210 K N 1.956 122.210 120.400 -0.243 0.000 2.559 210 K HA 0.414 4.734 4.320 -0.000 0.000 0.249 210 K C -0.671 175.840 176.600 -0.148 0.000 0.958 210 K CA -0.130 56.046 56.287 -0.185 0.000 0.901 210 K CB 1.907 34.278 32.500 -0.215 0.000 1.124 210 K HN 1.014 nan 8.250 nan 0.000 0.437 211 G N 1.808 110.548 108.800 -0.101 0.000 2.373 211 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.634 211 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.634 211 G C -1.308 173.564 174.900 -0.046 0.000 1.267 211 G CA -1.080 43.984 45.100 -0.061 0.000 1.008 211 G HN 0.564 nan 8.290 nan 0.000 0.497 212 R N -0.422 120.068 120.500 -0.017 0.000 2.537 212 R HA 0.408 4.748 4.340 -0.000 0.000 0.280 212 R C 0.549 176.845 176.300 -0.006 0.000 1.058 212 R CA -0.595 55.500 56.100 -0.009 0.000 1.057 212 R CB 0.357 30.660 30.300 0.006 0.000 0.973 212 R HN 0.758 nan 8.270 nan 0.000 0.438 213 L N 7.082 128.300 121.223 -0.009 0.000 2.490 213 L HA 0.198 4.538 4.340 -0.000 0.000 0.274 213 L C -2.126 174.735 176.870 -0.015 0.000 1.201 213 L CA -0.946 53.905 54.840 0.019 0.000 0.869 213 L CB 0.517 42.582 42.059 0.010 0.000 1.123 213 L HN 0.620 nan 8.230 nan 0.000 0.484 214 P HA 0.148 nan 4.420 nan 0.000 0.274 214 P C -1.131 176.099 177.300 -0.117 0.000 1.260 214 P CA -0.237 62.848 63.100 -0.025 0.000 0.793 214 P CB 0.298 32.038 31.700 0.066 0.000 1.048 215 H N -0.353 118.607 119.070 -0.184 0.000 2.897 215 H HA 0.206 4.762 4.556 -0.000 0.000 0.347 215 H C -0.042 175.228 175.328 -0.098 0.000 1.068 215 H CA 0.913 56.861 56.048 -0.166 0.000 1.426 215 H CB -0.224 29.367 29.762 -0.286 0.000 1.410 215 H HN 0.200 nan 8.280 nan 0.000 0.597 216 I N 4.565 125.173 120.570 0.063 0.000 2.493 216 I HA 0.246 4.416 4.170 -0.000 0.000 0.279 216 I C -0.732 175.428 176.117 0.072 0.000 1.045 216 I CA -0.700 60.626 61.300 0.044 0.000 1.106 216 I CB 0.835 38.854 38.000 0.032 0.000 1.216 216 I HN 0.310 nan 8.210 nan 0.000 0.459 217 V N 4.009 123.962 119.914 0.066 0.000 3.141 217 V HA 0.760 4.880 4.120 -0.000 0.000 0.312 217 V C -0.800 175.359 176.094 0.108 0.000 1.157 217 V CA -0.716 61.663 62.300 0.131 0.000 1.041 217 V CB 2.431 34.356 31.823 0.171 0.000 1.071 217 V HN 0.271 nan 8.190 nan 0.000 0.441 218 V N 1.326 121.342 119.914 0.169 0.000 2.656 218 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 218 V C -0.497 175.719 176.094 0.203 0.000 1.051 218 V CA -0.507 61.876 62.300 0.139 0.000 0.893 218 V CB 1.889 33.777 31.823 0.108 0.000 0.999 218 V HN 0.836 nan 8.190 nan 0.000 0.426 219 V N 2.972 122.991 119.914 0.174 0.000 2.555 219 V HA 0.785 4.905 4.120 -0.000 0.000 0.302 219 V C -0.056 176.239 176.094 0.335 0.000 1.038 219 V CA -0.226 62.207 62.300 0.222 0.000 0.887 219 V CB 1.998 33.870 31.823 0.082 0.000 0.991 219 V HN 0.978 nan 8.190 nan 0.000 0.434 220 T N 2.503 117.247 114.554 0.316 0.000 2.900 220 T HA 0.661 5.011 4.350 -0.000 0.000 0.303 220 T C 0.173 174.809 174.700 -0.107 0.000 1.142 220 T CA 0.391 62.603 62.100 0.186 0.000 1.007 220 T CB 1.947 70.858 68.868 0.072 0.000 1.156 220 T HN 0.838 nan 8.240 nan 0.000 0.490 221 A N 2.075 124.531 122.820 -0.606 0.000 2.465 221 A HA 0.466 4.786 4.320 -0.000 0.000 0.255 221 A C 0.473 177.560 177.584 -0.827 0.000 1.274 221 A CA -0.069 51.244 52.037 -1.206 0.000 0.920 221 A CB -0.239 17.396 19.000 -2.276 0.000 1.033 221 A HN 0.720 nan 8.150 nan 0.000 0.516 222 E N 1.833 121.776 120.200 -0.429 0.000 2.480 222 E HA 0.063 4.413 4.350 -0.000 0.000 0.258 222 E C -1.503 175.120 176.600 0.040 0.000 0.984 222 E CA -1.530 54.735 56.400 -0.226 0.000 0.930 222 E CB 0.759 30.402 29.700 -0.095 0.000 0.936 222 E HN 0.244 nan 8.360 nan 0.000 0.466 223 P HA -0.037 nan 4.420 nan 0.000 0.224 223 P C -0.060 177.275 177.300 0.058 0.000 1.157 223 P CA 0.543 63.697 63.100 0.089 0.000 0.799 223 P CB -0.001 31.704 31.700 0.009 0.000 0.809 224 T N -3.073 111.497 114.554 0.027 0.000 2.806 224 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 224 T C -2.076 172.640 174.700 0.027 0.000 0.966 224 T CA -2.067 60.047 62.100 0.022 0.000 1.060 224 T CB 1.538 70.408 68.868 0.004 0.000 0.927 224 T HN -0.207 nan 8.240 nan 0.000 0.485 225 P HA -0.153 nan 4.420 nan 0.000 0.218 225 P C 1.940 179.252 177.300 0.020 0.000 1.148 225 P CA 1.276 64.401 63.100 0.041 0.000 0.822 225 P CB -0.016 31.726 31.700 0.069 0.000 0.784 226 S N -0.262 115.443 115.700 0.009 0.000 2.359 226 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 226 S C 2.005 176.604 174.600 -0.001 0.000 1.035 226 S CA 1.082 59.282 58.200 -0.000 0.000 1.018 226 S CB -1.040 62.153 63.200 -0.011 0.000 0.876 226 S HN 0.086 nan 8.310 nan 0.000 0.448 227 R N 0.705 121.205 120.500 -0.002 0.000 2.090 227 R HA 0.231 4.571 4.340 -0.000 0.000 0.228 227 R C 2.373 178.677 176.300 0.006 0.000 1.110 227 R CA 1.388 57.486 56.100 -0.004 0.000 0.973 227 R CB -0.545 29.746 30.300 -0.015 0.000 0.869 227 R HN 0.463 nan 8.270 nan 0.000 0.440 228 I N 0.729 121.311 120.570 0.019 0.000 2.286 228 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 228 I C 2.468 178.592 176.117 0.012 0.000 1.115 228 I CA 1.541 62.860 61.300 0.032 0.000 1.392 228 I CB -0.364 37.670 38.000 0.055 0.000 1.065 228 I HN 0.232 nan 8.210 nan 0.000 0.418 229 S N 0.344 116.045 115.700 0.003 0.000 2.447 229 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 229 S C 2.110 176.708 174.600 -0.003 0.000 1.006 229 S CA 1.149 59.345 58.200 -0.006 0.000 0.957 229 S CB -0.701 62.496 63.200 -0.006 0.000 0.773 229 S HN 0.565 nan 8.310 nan 0.000 0.507 230 S N 0.599 116.299 115.700 0.001 0.000 2.469 230 S HA 0.020 4.490 4.470 -0.000 0.000 0.238 230 S C 1.494 176.097 174.600 0.005 0.000 0.998 230 S CA 0.899 59.100 58.200 0.002 0.000 0.957 230 S CB -0.394 62.806 63.200 0.001 0.000 0.764 230 S HN 0.562 nan 8.310 nan 0.000 0.514 231 I N -0.019 120.556 120.570 0.007 0.000 4.471 231 I HA 0.536 4.706 4.170 -0.000 0.000 0.326 231 I C 2.012 178.132 176.117 0.004 0.000 1.300 231 I CA 0.239 61.546 61.300 0.011 0.000 1.237 231 I CB -0.045 37.968 38.000 0.022 0.000 1.195 231 I HN 0.196 nan 8.210 nan 0.000 0.427 232 A N 0.742 123.559 122.820 -0.005 0.000 1.975 232 A HA 0.245 4.565 4.320 -0.000 0.000 0.215 232 A C 1.172 178.740 177.584 -0.026 0.000 1.170 232 A CA 0.424 52.447 52.037 -0.023 0.000 0.656 232 A CB -0.579 18.396 19.000 -0.041 0.000 0.821 232 A HN 0.286 nan 8.150 nan 0.000 0.449 233 L N -0.283 120.928 121.223 -0.019 0.000 2.439 233 L HA 0.492 4.832 4.340 -0.000 0.000 0.269 233 L C 0.963 177.827 176.870 -0.010 0.000 1.179 233 L CA 0.558 55.388 54.840 -0.017 0.000 0.828 233 L CB 0.231 42.283 42.059 -0.012 0.000 1.106 233 L HN 0.605 nan 8.230 nan 0.000 0.467 234 G N 1.179 109.974 108.800 -0.009 0.000 2.662 234 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 234 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 234 G C -0.542 174.355 174.900 -0.005 0.000 1.271 234 G CA -0.426 44.672 45.100 -0.004 0.000 0.816 234 G HN 0.909 nan 8.290 nan 0.000 0.608 235 T N -2.087 112.466 114.554 -0.001 0.000 2.883 235 T HA 0.945 5.295 4.350 -0.000 0.000 0.296 235 T C 1.071 175.774 174.700 0.005 0.000 1.117 235 T CA 0.660 62.761 62.100 0.001 0.000 1.006 235 T CB 1.824 70.692 68.868 -0.000 0.000 1.191 235 T HN 2.761 nan 8.240 nan 0.000 0.508 236 G N 0.897 109.701 108.800 0.008 0.000 2.391 236 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.204 236 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.204 236 G C 0.521 175.431 174.900 0.015 0.000 1.012 236 G CA 0.553 45.659 45.100 0.011 0.000 0.651 236 G HN 0.727 nan 8.290 nan 0.000 0.494 237 E N -0.110 120.100 120.200 0.016 0.000 2.228 237 E HA 0.451 4.801 4.350 -0.000 0.000 0.197 237 E C 0.887 177.500 176.600 0.023 0.000 0.909 237 E CA 0.412 56.825 56.400 0.020 0.000 0.911 237 E CB 0.612 30.324 29.700 0.019 0.000 0.887 237 E HN 0.527 nan 8.360 nan 0.000 0.481 238 I N 2.016 122.599 120.570 0.022 0.000 2.354 238 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 238 I C 0.117 176.252 176.117 0.029 0.000 0.989 238 I CA -0.480 60.837 61.300 0.029 0.000 1.188 238 I CB 1.723 39.739 38.000 0.027 0.000 1.342 238 I HN -0.065 nan 8.210 nan 0.000 0.457 239 D N 3.214 123.643 120.400 0.048 0.000 2.097 239 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 239 D C 0.263 176.586 176.300 0.037 0.000 0.984 239 D CA 1.261 55.293 54.000 0.052 0.000 0.826 239 D CB 0.225 41.080 40.800 0.092 0.000 0.973 239 D HN 0.475 nan 8.370 nan 0.000 0.460 240 C N -1.215 118.113 119.300 0.046 0.000 3.275 240 C HA 0.432 4.892 4.460 -0.000 0.000 0.345 240 C C -1.546 173.394 174.990 -0.083 0.000 1.257 240 C CA -0.825 58.149 59.018 -0.074 0.000 1.203 240 C CB 0.762 28.404 27.740 -0.163 0.000 1.492 240 C HN -0.045 nan 8.230 nan 0.000 0.484 241 V N 3.312 123.090 119.914 -0.228 0.000 2.581 241 V HA 0.585 4.705 4.120 -0.000 0.000 0.303 241 V C -1.242 174.630 176.094 -0.370 0.000 1.041 241 V CA -0.396 61.831 62.300 -0.121 0.000 0.907 241 V CB 1.728 33.528 31.823 -0.038 0.000 0.994 241 V HN 0.765 nan 8.190 nan 0.000 0.442 242 Y N 2.426 122.751 120.300 0.042 0.000 2.350 242 Y HA 0.458 5.008 4.550 0.000 0.000 0.338 242 Y C 0.168 176.134 175.900 0.110 0.000 0.961 242 Y CA -0.568 57.558 58.100 0.043 0.000 1.100 242 Y CB 1.203 39.656 38.460 -0.012 0.000 1.179 242 Y HN 0.620 nan 8.280 nan 0.000 0.454 243 H N 4.474 123.623 119.070 0.132 0.000 2.487 243 H HA 0.079 4.635 4.556 -0.000 0.000 0.333 243 H C 0.708 176.199 175.328 0.272 0.000 1.114 243 H CA -0.433 55.734 56.048 0.199 0.000 1.310 243 H CB 1.058 30.895 29.762 0.124 0.000 1.462 243 H HN 0.882 nan 8.280 nan 0.000 0.516 244 F N 2.895 122.695 119.950 -0.249 0.000 2.451 244 F HA 0.172 4.699 4.527 -0.000 0.000 0.299 244 F C 0.370 176.362 175.800 0.320 0.000 1.101 244 F CA 0.661 58.762 58.000 0.168 0.000 1.436 244 F CB 0.424 39.637 39.000 0.354 0.000 1.074 244 F HN 0.391 nan 8.300 nan 0.000 0.553 245 A N 0.839 123.517 122.820 -0.237 0.000 3.474 245 A HA 0.400 4.720 4.320 -0.000 0.000 0.251 245 A C 0.452 178.044 177.584 0.013 0.000 1.062 245 A CA -0.465 51.380 52.037 -0.320 0.000 0.945 245 A CB -0.754 17.635 19.000 -1.019 0.000 1.296 245 A HN 0.402 nan 8.150 nan 0.000 0.592 246 L N 0.014 121.221 121.223 -0.028 0.000 2.046 246 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 246 L C 2.069 178.938 176.870 -0.001 0.000 1.077 246 L CA 2.363 57.181 54.840 -0.037 0.000 0.747 246 L CB -0.609 41.402 42.059 -0.081 0.000 0.896 246 L HN 0.735 nan 8.230 nan 0.000 0.432 247 Y N -0.778 119.580 120.300 0.097 0.000 2.242 247 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 247 Y C 2.418 178.309 175.900 -0.015 0.000 1.137 247 Y CA 0.677 58.812 58.100 0.058 0.000 1.181 247 Y CB -0.277 38.223 38.460 0.066 0.000 0.989 247 Y HN 0.211 nan 8.280 nan 0.000 0.527 248 E N 0.379 120.631 120.200 0.086 0.000 2.072 248 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 248 E C 1.979 178.528 176.600 -0.085 0.000 0.985 248 E CA 0.779 57.175 56.400 -0.007 0.000 0.801 248 E CB -0.430 29.234 29.700 -0.059 0.000 0.750 248 E HN 0.278 nan 8.360 nan 0.000 0.452 249 L N 1.419 122.569 121.223 -0.121 0.000 2.012 249 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 249 L C 2.167 178.797 176.870 -0.400 0.000 1.073 249 L CA 2.065 56.773 54.840 -0.219 0.000 0.748 249 L CB -0.521 41.364 42.059 -0.289 0.000 0.891 249 L HN 0.173 nan 8.230 nan 0.000 0.431 250 E N -1.047 118.852 120.200 -0.502 0.000 2.051 250 E HA -0.321 4.029 4.350 -0.000 0.000 0.192 250 E C 2.227 178.609 176.600 -0.363 0.000 0.991 250 E CA 1.558 57.507 56.400 -0.750 0.000 0.799 250 E CB -0.234 29.197 29.700 -0.448 0.000 0.748 250 E HN 0.722 nan 8.360 nan 0.000 0.449 251 Q N 0.080 119.772 119.800 -0.179 0.000 2.084 251 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 251 Q C 2.250 178.168 176.000 -0.137 0.000 0.978 251 Q CA 1.545 57.283 55.803 -0.109 0.000 0.844 251 Q CB -0.112 28.599 28.738 -0.045 0.000 0.898 251 Q HN 0.350 nan 8.270 nan 0.000 0.426 252 I N 0.339 120.815 120.570 -0.156 0.000 2.353 252 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 252 I C 1.797 177.785 176.117 -0.214 0.000 1.119 252 I CA 1.079 62.282 61.300 -0.162 0.000 1.417 252 I CB -0.144 37.777 38.000 -0.132 0.000 1.078 252 I HN 0.261 nan 8.210 nan 0.000 0.421 253 L N -0.366 120.712 121.223 -0.241 0.000 2.083 253 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 253 L C 2.518 179.277 176.870 -0.186 0.000 1.083 253 L CA 1.431 56.138 54.840 -0.222 0.000 0.752 253 L CB -0.663 41.220 42.059 -0.294 0.000 0.899 253 L HN 0.329 nan 8.230 nan 0.000 0.433 254 Q N -0.770 118.927 119.800 -0.171 0.000 2.046 254 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 254 Q C 2.429 178.365 176.000 -0.105 0.000 0.975 254 Q CA 1.713 57.458 55.803 -0.098 0.000 0.836 254 Q CB -0.063 28.637 28.738 -0.063 0.000 0.896 254 Q HN 0.396 nan 8.270 nan 0.000 0.428 255 S N 0.931 116.553 115.700 -0.129 0.000 2.399 255 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 255 S C 1.801 176.297 174.600 -0.174 0.000 1.022 255 S CA 0.893 59.017 58.200 -0.125 0.000 0.983 255 S CB -0.068 63.063 63.200 -0.114 0.000 0.803 255 S HN 0.269 nan 8.310 nan 0.000 0.480 256 L N 0.766 121.812 121.223 -0.294 0.000 2.492 256 L HA 0.171 4.511 4.340 -0.000 0.000 0.223 256 L C 0.109 176.758 176.870 -0.368 0.000 1.132 256 L CA 0.041 54.588 54.840 -0.489 0.000 0.850 256 L CB -0.580 40.832 42.059 -1.078 0.000 0.966 256 L HN 0.237 nan 8.230 nan 0.000 0.454 257 N N -0.927 117.663 118.700 -0.184 0.000 2.740 257 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 257 N C -0.531 175.062 175.510 0.138 0.000 1.062 257 N CA 0.486 53.523 53.050 -0.023 0.000 0.704 257 N CB -1.415 37.073 38.487 0.001 0.000 0.968 257 N HN 0.384 nan 8.380 nan 0.000 0.547 258 Y N 0.105 120.391 120.300 -0.023 0.000 2.632 258 Y HA 0.059 4.609 4.550 -0.000 0.000 0.336 258 Y C 1.393 177.286 175.900 -0.012 0.000 1.237 258 Y CA -1.125 56.963 58.100 -0.019 0.000 1.595 258 Y CB 0.453 38.895 38.460 -0.031 0.000 1.508 258 Y HN 0.159 nan 8.280 nan 0.000 0.480 259 E N 1.102 121.394 120.200 0.152 0.000 2.085 259 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 259 E C 1.172 177.825 176.600 0.088 0.000 0.994 259 E CA 1.201 57.661 56.400 0.101 0.000 0.801 259 E CB 0.106 29.852 29.700 0.077 0.000 0.743 259 E HN 0.751 nan 8.360 nan 0.000 0.453 260 D N 0.529 120.967 120.400 0.062 0.000 2.117 260 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 260 D C 1.855 178.185 176.300 0.051 0.000 0.982 260 D CA 1.483 55.509 54.000 0.043 0.000 0.828 260 D CB -0.254 40.552 40.800 0.009 0.000 0.967 260 D HN 0.166 nan 8.370 nan 0.000 0.464 261 A N 0.880 123.730 122.820 0.051 0.000 1.930 261 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 261 A C 2.288 179.911 177.584 0.066 0.000 1.175 261 A CA 0.668 52.737 52.037 0.054 0.000 0.627 261 A CB -0.699 18.341 19.000 0.066 0.000 0.815 261 A HN 0.214 nan 8.150 nan 0.000 0.443 262 L N -0.536 120.723 121.223 0.059 0.000 2.056 262 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 262 L C 1.909 178.868 176.870 0.148 0.000 1.078 262 L CA 1.886 56.738 54.840 0.020 0.000 0.749 262 L CB -0.560 41.533 42.059 0.055 0.000 0.901 262 L HN 0.357 nan 8.230 nan 0.000 0.433 263 D N -0.199 120.302 120.400 0.169 0.000 2.097 263 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 263 D C 1.960 178.359 176.300 0.164 0.000 0.989 263 D CA 1.036 55.154 54.000 0.196 0.000 0.827 263 D CB -0.159 40.716 40.800 0.124 0.000 0.966 263 D HN 0.180 nan 8.370 nan 0.000 0.456 264 L N 0.003 121.291 121.223 0.109 0.000 2.056 264 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 264 L C 2.086 178.994 176.870 0.063 0.000 1.078 264 L CA 1.315 56.198 54.840 0.072 0.000 0.749 264 L CB -0.852 41.236 42.059 0.048 0.000 0.901 264 L HN -0.016 nan 8.230 nan 0.000 0.433 265 F N -0.493 119.394 119.950 -0.106 0.000 2.065 265 F HA -0.341 4.186 4.527 -0.000 0.000 0.298 265 F C 2.136 177.823 175.800 -0.188 0.000 1.112 265 F CA 2.083 59.957 58.000 -0.209 0.000 1.212 265 F CB -0.619 38.161 39.000 -0.367 0.000 0.975 265 F HN 0.160 nan 8.300 nan 0.000 0.476 266 Y N -0.058 120.347 120.300 0.175 0.000 2.293 266 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 266 Y C 2.435 178.308 175.900 -0.045 0.000 1.137 266 Y CA 1.039 59.167 58.100 0.046 0.000 1.202 266 Y CB -0.317 38.227 38.460 0.140 0.000 0.990 266 Y HN 0.090 nan 8.280 nan 0.000 0.537 267 I N -0.392 120.244 120.570 0.111 0.000 2.226 267 I HA -0.372 3.798 4.170 -0.000 0.000 0.245 267 I C 2.206 178.306 176.117 -0.027 0.000 1.100 267 I CA 1.536 62.862 61.300 0.043 0.000 1.374 267 I CB -0.269 37.751 38.000 0.033 0.000 1.057 267 I HN 0.319 nan 8.210 nan 0.000 0.413 268 M N -0.569 118.975 119.600 -0.094 0.000 2.132 268 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 268 M C 2.324 178.506 176.300 -0.198 0.000 1.065 268 M CA 1.390 56.600 55.300 -0.149 0.000 1.122 268 M CB -0.239 32.248 32.600 -0.188 0.000 1.365 268 M HN 0.092 nan 8.290 nan 0.000 0.411 269 V N 0.714 120.453 119.914 -0.293 0.000 2.283 269 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 269 V C 1.875 177.919 176.094 -0.085 0.000 1.039 269 V CA 1.574 63.718 62.300 -0.260 0.000 1.016 269 V CB -0.790 30.778 31.823 -0.425 0.000 0.650 269 V HN 0.441 nan 8.190 nan 0.000 0.449 270 N N 1.074 119.770 118.700 -0.006 0.000 2.309 270 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 270 N C 1.662 177.168 175.510 -0.007 0.000 1.018 270 N CA 1.400 54.461 53.050 0.018 0.000 0.876 270 N CB -0.396 38.117 38.487 0.044 0.000 0.972 270 N HN 0.531 nan 8.380 nan 0.000 0.434 271 G N 0.366 109.151 108.800 -0.026 0.000 3.181 271 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.219 271 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.219 271 G C 0.117 174.992 174.900 -0.042 0.000 1.182 271 G CA -0.236 44.847 45.100 -0.028 0.000 0.791 271 G HN -0.021 nan 8.290 nan 0.000 0.537 272 K N -0.328 120.039 120.400 -0.055 0.000 3.071 272 K HA -0.165 4.155 4.320 -0.000 0.000 0.265 272 K C 0.946 177.493 176.600 -0.089 0.000 1.060 272 K CA 0.561 56.810 56.287 -0.064 0.000 0.767 272 K CB -1.220 31.261 32.500 -0.032 0.000 1.241 272 K HN 0.375 nan 8.250 nan 0.000 0.486 273 R N -0.608 119.824 120.500 -0.114 0.000 2.373 273 R HA 0.247 4.587 4.340 -0.000 0.000 0.221 273 R C 0.522 176.713 176.300 -0.182 0.000 0.893 273 R CA -0.142 55.885 56.100 -0.121 0.000 1.049 273 R CB 0.285 30.531 30.300 -0.089 0.000 1.119 273 R HN 0.208 nan 8.270 nan 0.000 0.535 274 L N 0.523 121.611 121.223 -0.224 0.000 2.464 274 L HA 0.448 4.788 4.340 -0.000 0.000 0.266 274 L C -1.166 175.533 176.870 -0.285 0.000 0.965 274 L CA -0.262 54.417 54.840 -0.268 0.000 0.833 274 L CB 1.945 43.849 42.059 -0.260 0.000 1.296 274 L HN -0.125 nan 8.230 nan 0.000 0.405 275 K N 1.941 122.145 120.400 -0.326 0.000 2.283 275 K HA 0.499 4.819 4.320 -0.000 0.000 0.257 275 K C -1.619 174.947 176.600 -0.057 0.000 1.066 275 K CA -1.099 55.070 56.287 -0.197 0.000 0.891 275 K CB 1.482 33.838 32.500 -0.241 0.000 1.438 275 K HN 0.602 nan 8.250 nan 0.000 0.464 276 D N 0.175 120.595 120.400 0.034 0.000 2.294 276 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 276 D C 0.778 177.140 176.300 0.103 0.000 1.058 276 D CA -0.420 53.572 54.000 -0.014 0.000 0.950 276 D CB 1.024 41.681 40.800 -0.238 0.000 1.158 276 D HN 0.406 nan 8.370 nan 0.000 0.453 277 I N 2.139 122.689 120.570 -0.033 0.000 2.315 277 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 277 I C 1.856 177.858 176.117 -0.193 0.000 1.125 277 I CA 1.948 63.129 61.300 -0.199 0.000 1.392 277 I CB -0.514 37.120 38.000 -0.610 0.000 1.065 277 I HN 0.510 nan 8.210 nan 0.000 0.424 278 S N -0.921 114.708 115.700 -0.119 0.000 2.507 278 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 278 S C 1.607 176.278 174.600 0.118 0.000 0.988 278 S CA 1.067 59.308 58.200 0.068 0.000 0.944 278 S CB -0.640 62.651 63.200 0.152 0.000 0.762 278 S HN 0.532 nan 8.310 nan 0.000 0.526 279 D N 0.987 121.480 120.400 0.154 0.000 2.289 279 D HA 0.073 4.713 4.640 -0.000 0.000 0.207 279 D C 1.768 178.126 176.300 0.096 0.000 0.966 279 D CA 0.329 54.450 54.000 0.202 0.000 0.868 279 D CB -0.166 40.817 40.800 0.305 0.000 0.943 279 D HN 0.354 nan 8.370 nan 0.000 0.514 280 L N 1.700 122.849 121.223 -0.123 0.000 2.012 280 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 280 L C -0.958 175.687 176.870 -0.374 0.000 1.073 280 L CA 2.112 56.623 54.840 -0.550 0.000 0.748 280 L CB -1.398 40.164 42.059 -0.828 0.000 0.891 280 L HN -0.084 nan 8.230 nan 0.000 0.431 281 P HA -0.187 nan 4.420 nan 0.000 0.215 281 P C 2.178 179.436 177.300 -0.070 0.000 1.157 281 P CA 1.618 64.544 63.100 -0.290 0.000 0.874 281 P CB -0.049 31.324 31.700 -0.545 0.000 0.790 282 L N -0.855 120.371 121.223 0.006 0.000 2.093 282 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 282 L C 1.831 178.731 176.870 0.050 0.000 1.085 282 L CA 1.417 56.320 54.840 0.105 0.000 0.755 282 L CB -0.821 41.346 42.059 0.180 0.000 0.904 282 L HN -0.065 nan 8.230 nan 0.000 0.435 283 D N -0.165 120.233 120.400 -0.003 0.000 2.264 283 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 283 D C 2.134 178.347 176.300 -0.145 0.000 0.966 283 D CA 0.944 54.947 54.000 0.006 0.000 0.864 283 D CB 0.025 40.875 40.800 0.083 0.000 0.933 283 D HN 0.285 nan 8.370 nan 0.000 0.499 284 L N -0.064 120.947 121.223 -0.353 0.000 2.610 284 L HA 0.094 4.434 4.340 -0.000 0.000 0.232 284 L C 1.737 178.548 176.870 -0.097 0.000 1.149 284 L CA 0.180 54.613 54.840 -0.678 0.000 0.872 284 L CB -0.021 41.469 42.059 -0.949 0.000 0.992 284 L HN -0.053 nan 8.230 nan 0.000 0.447 285 A N -0.342 122.542 122.820 0.106 0.000 2.348 285 A HA 0.257 4.577 4.320 -0.000 0.000 0.224 285 A C 1.016 178.702 177.584 0.171 0.000 1.227 285 A CA -0.163 51.994 52.037 0.200 0.000 0.885 285 A CB -0.203 18.872 19.000 0.125 0.000 0.933 285 A HN 0.117 nan 8.150 nan 0.000 0.506 286 V N 0.000 120.032 119.914 0.197 0.000 2.409 286 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 286 V CA 0.000 62.402 62.300 0.170 0.000 1.235 286 V CB 0.000 31.926 31.823 0.172 0.000 1.184 286 V HN 0.000 nan 8.190 nan 0.000 0.556