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 1tis_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKQYQDLIKD IFENGYETDD RTGTGTIALF GSKLRWDLTK GFPAVTTKKL DATA SEQUENCE AWKACIAELI WFLSGSTNVN DLRLIQHDSL IQGKTVWDEN YENQAKDLGY DATA SEQUENCE HSGELGPIYG KQWRDFGGVD QIIEVIDRIK KLPNDRRQIV SAWNPAELKY DATA SEQUENCE MALPPCHMFY QFNVRNGYLD LQWYQRSVDV FLGLPFNIAS YATLVHIVAK DATA SEQUENCE MCNLIPGDLI FSGGNTHIYM NHVEQCKEIL RREPKELCEL VISGLPYKFR DATA SEQUENCE YLSTKEQLKY VLKLRPKDFV LNNYVSHPPI KGKMAV 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 0.000 176.364 176.300 0.107 0.000 1.140 1 M CA 0.000 55.385 55.300 0.142 0.000 0.988 1 M CB 0.000 32.736 32.600 0.226 0.000 1.302 2 K N 0.044 120.495 120.400 0.086 0.000 2.606 2 K HA 0.216 4.535 4.320 -0.001 0.000 0.199 2 K C 1.242 177.867 176.600 0.042 0.000 1.403 2 K CA 0.461 56.777 56.287 0.047 0.000 1.011 2 K CB -0.381 32.126 32.500 0.013 0.000 1.623 2 K HN 0.627 nan 8.250 nan 0.000 0.512 3 Q N 0.972 120.781 119.800 0.015 0.000 2.439 3 Q HA -0.183 4.157 4.340 -0.001 0.000 0.211 3 Q C 1.380 177.436 176.000 0.093 0.000 0.978 3 Q CA 1.190 56.985 55.803 -0.013 0.000 0.897 3 Q CB -0.580 28.076 28.738 -0.135 0.000 0.956 3 Q HN 0.533 nan 8.270 nan 0.000 0.483 4 Y N 1.948 122.257 120.300 0.016 0.000 2.220 4 Y HA -0.077 4.472 4.550 -0.001 0.000 0.291 4 Y C 1.932 177.829 175.900 -0.004 0.000 1.129 4 Y CA 1.518 59.645 58.100 0.045 0.000 1.161 4 Y CB -0.308 38.220 38.460 0.113 0.000 0.997 4 Y HN 0.063 nan 8.280 nan 0.000 0.522 5 Q N 0.908 120.666 119.800 -0.070 0.000 2.112 5 Q HA -0.183 4.156 4.340 -0.001 0.000 0.206 5 Q C 1.874 177.776 176.000 -0.163 0.000 0.987 5 Q CA 2.006 57.698 55.803 -0.185 0.000 0.858 5 Q CB -0.521 28.154 28.738 -0.106 0.000 0.905 5 Q HN 0.507 nan 8.270 nan 0.000 0.420 6 D N -0.254 120.088 120.400 -0.095 0.000 2.088 6 D HA -0.172 4.467 4.640 -0.001 0.000 0.191 6 D C 1.898 178.117 176.300 -0.134 0.000 0.992 6 D CA 0.978 54.912 54.000 -0.110 0.000 0.831 6 D CB -0.542 40.214 40.800 -0.074 0.000 0.973 6 D HN 0.151 nan 8.370 nan 0.000 0.447 7 L N 1.432 122.620 121.223 -0.058 0.000 2.034 7 L HA -0.226 4.114 4.340 -0.001 0.000 0.217 7 L C 2.316 179.118 176.870 -0.114 0.000 1.077 7 L CA 1.494 56.309 54.840 -0.040 0.000 0.769 7 L CB -0.791 41.318 42.059 0.082 0.000 0.890 7 L HN 0.078 nan 8.230 nan 0.000 0.435 8 I N -0.889 119.591 120.570 -0.149 0.000 2.194 8 I HA -0.354 3.815 4.170 -0.001 0.000 0.246 8 I C 2.492 178.236 176.117 -0.622 0.000 1.093 8 I CA 1.669 62.832 61.300 -0.228 0.000 1.355 8 I CB -0.488 37.369 38.000 -0.239 0.000 1.046 8 I HN 0.210 nan 8.210 nan 0.000 0.413 9 K N 0.915 120.845 120.400 -0.785 0.000 2.097 9 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 9 K C 1.614 177.735 176.600 -0.798 0.000 1.050 9 K CA 1.345 56.865 56.287 -1.278 0.000 0.938 9 K CB -0.137 31.987 32.500 -0.627 0.000 0.718 9 K HN 0.311 nan 8.250 nan 0.000 0.442 10 D N -0.146 120.023 120.400 -0.384 0.000 2.317 10 D HA -0.058 4.582 4.640 -0.001 0.000 0.211 10 D C 1.686 177.931 176.300 -0.091 0.000 0.966 10 D CA 0.750 54.641 54.000 -0.183 0.000 0.876 10 D CB 0.118 40.844 40.800 -0.123 0.000 0.927 10 D HN 0.257 nan 8.370 nan 0.000 0.519 11 I N 0.814 121.332 120.570 -0.088 0.000 2.252 11 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 11 I C 2.076 178.297 176.117 0.173 0.000 1.102 11 I CA 0.584 61.918 61.300 0.057 0.000 1.385 11 I CB -0.224 37.835 38.000 0.099 0.000 1.064 11 I HN -0.144 nan 8.210 nan 0.000 0.414 12 F N 1.955 121.904 119.950 -0.003 0.000 2.043 12 F HA -0.293 4.233 4.527 -0.001 0.000 0.297 12 F C 2.616 178.415 175.800 -0.002 0.000 1.118 12 F CA 1.862 59.856 58.000 -0.009 0.000 1.202 12 F CB -1.666 37.320 39.000 -0.023 0.000 0.965 12 F HN 0.273 nan 8.300 nan 0.000 0.482 13 E N 1.615 121.929 120.200 0.190 0.000 2.409 13 E HA -0.208 4.142 4.350 -0.001 0.000 0.198 13 E C 1.231 177.878 176.600 0.079 0.000 1.024 13 E CA 1.035 57.496 56.400 0.102 0.000 0.861 13 E CB -1.468 28.266 29.700 0.058 0.000 0.788 13 E HN 0.657 nan 8.360 nan 0.000 0.521 14 N N 0.405 119.162 118.700 0.095 0.000 2.187 14 N HA -0.270 4.469 4.740 -0.001 0.000 0.194 14 N C 1.653 177.235 175.510 0.120 0.000 1.002 14 N CA 2.489 55.603 53.050 0.106 0.000 0.882 14 N CB -0.415 38.153 38.487 0.135 0.000 1.003 14 N HN 0.404 nan 8.380 nan 0.000 0.443 15 G N -0.962 107.883 108.800 0.075 0.000 2.956 15 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.210 15 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.210 15 G C -0.239 174.599 174.900 -0.103 0.000 1.316 15 G CA 0.167 45.258 45.100 -0.015 0.000 0.819 15 G HN 0.341 nan 8.290 nan 0.000 0.544 16 Y N 4.017 124.346 120.300 0.047 0.000 2.573 16 Y HA 0.432 4.982 4.550 -0.001 0.000 0.346 16 Y C 0.874 176.802 175.900 0.048 0.000 1.198 16 Y CA 0.442 58.568 58.100 0.045 0.000 1.627 16 Y CB 0.058 38.546 38.460 0.047 0.000 1.457 16 Y HN 0.471 nan 8.280 nan 0.000 0.483 17 E N 1.319 121.554 120.200 0.059 0.000 1.893 17 E HA 0.315 4.665 4.350 -0.001 0.000 0.269 17 E C -0.454 176.202 176.600 0.093 0.000 1.129 17 E CA -0.338 56.098 56.400 0.060 0.000 0.904 17 E CB 0.494 30.197 29.700 0.005 0.000 1.077 17 E HN 0.259 nan 8.360 nan 0.000 0.407 18 T N 2.088 116.726 114.554 0.142 0.000 2.896 18 T HA 0.178 4.528 4.350 -0.001 0.000 0.297 18 T C -0.682 174.083 174.700 0.109 0.000 1.108 18 T CA -0.791 61.403 62.100 0.157 0.000 1.004 18 T CB 1.803 70.853 68.868 0.304 0.000 1.159 18 T HN 0.417 nan 8.240 nan 0.000 0.499 19 D N 1.192 121.649 120.400 0.095 0.000 2.361 19 D HA 0.367 5.006 4.640 -0.001 0.000 0.239 19 D C 0.081 176.419 176.300 0.064 0.000 1.200 19 D CA 0.581 54.623 54.000 0.070 0.000 0.915 19 D CB 0.573 41.408 40.800 0.058 0.000 1.170 19 D HN 0.651 nan 8.370 nan 0.000 0.444 20 D N -0.552 119.880 120.400 0.054 0.000 3.650 20 D HA 0.176 4.815 4.640 -0.001 0.000 0.341 20 D C 0.606 176.934 176.300 0.047 0.000 1.479 20 D CA -0.568 53.463 54.000 0.052 0.000 0.963 20 D CB 0.786 41.621 40.800 0.059 0.000 1.449 20 D HN 0.219 nan 8.370 nan 0.000 0.601 21 R N -0.065 120.468 120.500 0.055 0.000 2.040 21 R HA 0.127 4.466 4.340 -0.001 0.000 0.219 21 R C 0.694 177.019 176.300 0.041 0.000 1.216 21 R CA 1.120 57.250 56.100 0.049 0.000 0.952 21 R CB -0.506 29.830 30.300 0.061 0.000 0.833 21 R HN 0.385 nan 8.270 nan 0.000 0.456 22 T N 1.884 116.463 114.554 0.041 0.000 3.766 22 T HA 0.217 4.567 4.350 -0.001 0.000 0.327 22 T C 0.204 174.912 174.700 0.013 0.000 1.595 22 T CA -0.351 61.761 62.100 0.020 0.000 1.204 22 T CB 0.425 69.300 68.868 0.012 0.000 1.245 22 T HN 0.378 nan 8.240 nan 0.000 0.875 23 G N 2.020 110.834 108.800 0.024 0.000 2.464 23 G HA2 0.377 4.336 3.960 -0.001 0.000 0.231 23 G HA3 0.377 4.336 3.960 -0.001 0.000 0.231 23 G C 0.491 175.402 174.900 0.019 0.000 1.267 23 G CA 0.279 45.397 45.100 0.030 0.000 0.863 23 G HN 0.641 nan 8.290 nan 0.000 0.559 24 T N -0.313 114.262 114.554 0.035 0.000 2.601 24 T HA 0.641 4.990 4.350 -0.001 0.000 0.231 24 T C 0.215 174.950 174.700 0.058 0.000 1.245 24 T CA 0.074 62.196 62.100 0.037 0.000 1.168 24 T CB 0.814 69.698 68.868 0.028 0.000 1.995 24 T HN 1.620 nan 8.240 nan 0.000 0.424 25 G N -0.102 108.747 108.800 0.080 0.000 2.642 25 G HA2 0.651 4.611 3.960 -0.001 0.000 0.293 25 G HA3 0.651 4.611 3.960 -0.001 0.000 0.293 25 G C -1.517 173.458 174.900 0.125 0.000 1.341 25 G CA -0.603 44.549 45.100 0.088 0.000 0.916 25 G HN 0.816 nan 8.290 nan 0.000 0.474 26 T N 0.404 115.022 114.554 0.107 0.000 2.894 26 T HA 0.486 4.835 4.350 -0.001 0.000 0.309 26 T C -1.076 173.678 174.700 0.090 0.000 1.208 26 T CA -0.505 61.654 62.100 0.099 0.000 1.016 26 T CB 1.855 70.746 68.868 0.037 0.000 1.192 26 T HN 0.368 nan 8.240 nan 0.000 0.491 27 I N 2.014 122.638 120.570 0.089 0.000 2.377 27 I HA 0.779 4.949 4.170 -0.001 0.000 0.293 27 I C -0.076 176.121 176.117 0.134 0.000 0.987 27 I CA -0.412 60.952 61.300 0.106 0.000 1.185 27 I CB 1.056 39.108 38.000 0.086 0.000 1.341 27 I HN 0.949 nan 8.210 nan 0.000 0.455 28 A N 6.581 129.497 122.820 0.160 0.000 2.612 28 A HA 0.813 5.133 4.320 -0.001 0.000 0.293 28 A C -2.081 175.605 177.584 0.170 0.000 1.075 28 A CA -0.509 51.632 52.037 0.174 0.000 0.680 28 A CB 2.145 21.262 19.000 0.195 0.000 1.279 28 A HN 0.518 nan 8.150 nan 0.000 0.411 29 L N 0.572 121.886 121.223 0.151 0.000 2.464 29 L HA 0.770 5.110 4.340 -0.001 0.000 0.266 29 L C -1.668 175.289 176.870 0.144 0.000 0.965 29 L CA -0.364 54.557 54.840 0.135 0.000 0.833 29 L CB 1.700 43.810 42.059 0.085 0.000 1.296 29 L HN 0.758 nan 8.230 nan 0.000 0.405 30 F N 5.573 125.519 119.950 -0.007 0.000 2.390 30 F HA 0.685 5.212 4.527 -0.001 0.000 0.361 30 F C 0.710 176.470 175.800 -0.067 0.000 1.124 30 F CA 0.082 58.059 58.000 -0.040 0.000 1.149 30 F CB 0.816 39.792 39.000 -0.040 0.000 1.160 30 F HN 0.709 nan 8.300 nan 0.000 0.501 31 G N 3.611 112.057 108.800 -0.591 0.000 2.766 31 G HA2 0.075 4.035 3.960 -0.001 0.000 0.208 31 G HA3 0.075 4.035 3.960 -0.001 0.000 0.208 31 G C -0.997 173.669 174.900 -0.389 0.000 0.991 31 G CA -0.347 44.375 45.100 -0.629 0.000 1.212 31 G HN 0.839 nan 8.290 nan 0.000 0.617 32 S N 0.026 115.479 115.700 -0.412 0.000 2.689 32 S HA 0.935 5.405 4.470 -0.001 0.000 0.306 32 S C -0.069 174.259 174.600 -0.453 0.000 1.104 32 S CA -0.704 57.307 58.200 -0.315 0.000 0.973 32 S CB 2.783 65.881 63.200 -0.169 0.000 1.121 32 S HN 0.966 nan 8.310 nan 0.000 0.523 33 K N 0.556 120.750 120.400 -0.343 0.000 2.572 33 K HA 0.626 4.945 4.320 -0.001 0.000 0.263 33 K C -2.194 174.261 176.600 -0.242 0.000 0.932 33 K CA -0.551 55.511 56.287 -0.376 0.000 0.838 33 K CB 0.951 33.258 32.500 -0.322 0.000 1.366 33 K HN 0.659 nan 8.250 nan 0.000 0.425 34 L N 2.448 123.516 121.223 -0.258 0.000 2.341 34 L HA 0.701 5.041 4.340 -0.001 0.000 0.254 34 L C -0.997 175.532 176.870 -0.569 0.000 1.040 34 L CA -1.311 53.273 54.840 -0.428 0.000 0.837 34 L CB 2.109 43.821 42.059 -0.578 0.000 1.425 34 L HN 0.703 nan 8.230 nan 0.000 0.414 35 R N 0.158 120.260 120.500 -0.663 0.000 2.621 35 R HA 0.499 4.839 4.340 -0.001 0.000 0.284 35 R C -2.241 173.749 176.300 -0.518 0.000 0.998 35 R CA -0.632 55.202 56.100 -0.443 0.000 0.895 35 R CB 1.618 31.791 30.300 -0.212 0.000 1.195 35 R HN 0.545 nan 8.270 nan 0.000 0.450 36 W N 1.625 122.935 121.300 0.018 0.000 2.702 36 W HA 0.361 5.021 4.660 -0.000 0.000 0.331 36 W C -0.644 175.887 176.519 0.019 0.000 1.049 36 W CA -0.530 56.826 57.345 0.018 0.000 1.230 36 W CB 2.388 31.860 29.460 0.021 0.000 1.408 36 W HN 0.468 nan 8.180 nan 0.000 0.492 37 D N 3.078 123.605 120.400 0.211 0.000 2.396 37 D HA 0.154 4.793 4.640 -0.001 0.000 0.225 37 D C 0.941 177.346 176.300 0.175 0.000 1.121 37 D CA -0.191 53.891 54.000 0.136 0.000 0.853 37 D CB 1.928 42.768 40.800 0.067 0.000 1.043 37 D HN 0.094 nan 8.370 nan 0.000 0.500 38 L N 2.150 123.483 121.223 0.182 0.000 2.465 38 L HA -0.109 4.230 4.340 -0.001 0.000 0.224 38 L C 2.534 179.523 176.870 0.198 0.000 1.145 38 L CA 1.125 56.089 54.840 0.206 0.000 0.834 38 L CB -0.604 41.596 42.059 0.236 0.000 0.944 38 L HN 0.393 nan 8.230 nan 0.000 0.451 39 T N -2.961 111.689 114.554 0.160 0.000 2.788 39 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 39 T C 1.614 176.392 174.700 0.131 0.000 1.044 39 T CA 0.809 63.001 62.100 0.152 0.000 1.139 39 T CB -0.131 68.818 68.868 0.135 0.000 0.867 39 T HN -0.018 nan 8.240 nan 0.000 0.454 40 K N 2.081 122.553 120.400 0.120 0.000 2.862 40 K HA 0.425 4.744 4.320 -0.001 0.000 0.229 40 K C 0.694 177.371 176.600 0.128 0.000 1.107 40 K CA 0.109 56.461 56.287 0.108 0.000 1.222 40 K CB -0.392 32.161 32.500 0.088 0.000 1.067 40 K HN 0.623 nan 8.250 nan 0.000 0.464 41 G N 0.798 109.690 108.800 0.154 0.000 2.555 41 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.686 41 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.686 41 G C -1.276 173.759 174.900 0.224 0.000 1.275 41 G CA -1.026 44.180 45.100 0.177 0.000 0.871 41 G HN 0.177 nan 8.290 nan 0.000 0.603 42 F N 3.887 123.870 119.950 0.054 0.000 2.434 42 F HA 0.551 5.077 4.527 -0.001 0.000 0.358 42 F C -0.094 175.705 175.800 -0.001 0.000 1.136 42 F CA -1.764 56.248 58.000 0.020 0.000 1.157 42 F CB 1.278 40.241 39.000 -0.061 0.000 1.167 42 F HN 0.286 nan 8.300 nan 0.000 0.539 43 P HA -0.111 nan 4.420 nan 0.000 0.231 43 P C 0.066 177.117 177.300 -0.414 0.000 1.158 43 P CA 0.448 63.351 63.100 -0.328 0.000 0.763 43 P CB -0.194 31.210 31.700 -0.493 0.000 0.805 44 A N 1.220 123.644 122.820 -0.660 0.000 2.489 44 A HA 0.239 4.558 4.320 -0.001 0.000 0.289 44 A C 0.516 178.088 177.584 -0.021 0.000 1.216 44 A CA -0.282 51.557 52.037 -0.330 0.000 0.883 44 A CB -0.720 18.162 19.000 -0.197 0.000 1.110 44 A HN 0.025 nan 8.150 nan 0.000 0.523 45 V N 3.976 123.882 119.914 -0.014 0.000 2.493 45 V HA 0.071 4.190 4.120 -0.001 0.000 0.292 45 V C 1.329 177.493 176.094 0.116 0.000 1.016 45 V CA 0.512 62.866 62.300 0.089 0.000 1.097 45 V CB 0.002 31.925 31.823 0.168 0.000 0.947 45 V HN 0.964 nan 8.190 nan 0.000 0.479 46 T N 3.364 117.990 114.554 0.119 0.000 4.022 46 T HA 0.263 4.612 4.350 -0.001 0.000 0.347 46 T C 0.335 175.070 174.700 0.059 0.000 1.227 46 T CA 0.814 62.982 62.100 0.113 0.000 0.898 46 T CB 0.234 69.152 68.868 0.084 0.000 2.033 46 T HN 1.119 nan 8.240 nan 0.000 0.525 47 T N 2.231 116.808 114.554 0.037 0.000 0.709 47 T HA -0.024 4.326 4.350 -0.001 0.000 0.756 47 T C -0.880 173.870 174.700 0.083 0.000 0.989 47 T CA 0.611 62.735 62.100 0.041 0.000 3.990 47 T CB -1.414 67.408 68.868 -0.076 0.000 2.255 47 T HN 0.975 nan 8.240 nan 0.000 0.391 48 K N -0.043 120.411 120.400 0.090 0.000 5.176 48 K HA -0.106 4.214 4.320 -0.001 0.000 0.792 48 K C -0.010 176.643 176.600 0.089 0.000 2.280 48 K CA 0.109 56.450 56.287 0.089 0.000 1.717 48 K CB 0.015 32.574 32.500 0.098 0.000 2.930 48 K HN 0.818 nan 8.250 nan 0.000 0.145 49 K N 3.930 124.375 120.400 0.076 0.000 2.307 49 K HA 0.055 4.374 4.320 -0.001 0.000 0.285 49 K C 0.134 176.812 176.600 0.130 0.000 1.073 49 K CA -0.429 55.905 56.287 0.078 0.000 0.996 49 K CB 0.181 32.719 32.500 0.063 0.000 0.994 49 K HN 0.389 nan 8.250 nan 0.000 0.452 50 L N 4.702 126.026 121.223 0.168 0.000 2.628 50 L HA -0.027 4.312 4.340 -0.001 0.000 0.274 50 L C -0.124 176.897 176.870 0.252 0.000 1.209 50 L CA 0.771 55.742 54.840 0.217 0.000 0.930 50 L CB 0.083 42.297 42.059 0.258 0.000 1.183 50 L HN 0.685 nan 8.230 nan 0.000 0.492 51 A N 6.173 129.125 122.820 0.220 0.000 2.906 51 A HA 0.069 4.388 4.320 -0.001 0.000 0.289 51 A C 0.572 178.285 177.584 0.215 0.000 1.675 51 A CA -0.107 52.051 52.037 0.203 0.000 1.372 51 A CB -1.111 17.982 19.000 0.155 0.000 1.091 51 A HN 1.078 nan 8.150 nan 0.000 0.579 52 W N 3.139 124.445 121.300 0.009 0.000 2.525 52 W HA -0.054 4.606 4.660 -0.001 0.000 0.288 52 W C 1.486 177.915 176.519 -0.149 0.000 1.200 52 W CA 1.381 58.674 57.345 -0.086 0.000 1.349 52 W CB 0.147 29.590 29.460 -0.029 0.000 1.102 52 W HN 0.549 nan 8.180 nan 0.000 0.558 53 K N 1.040 121.417 120.400 -0.040 0.000 2.144 53 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 53 K C 2.021 178.402 176.600 -0.365 0.000 1.047 53 K CA 2.269 58.394 56.287 -0.271 0.000 0.927 53 K CB -1.479 31.006 32.500 -0.025 0.000 0.716 53 K HN 0.211 nan 8.250 nan 0.000 0.454 54 A N 0.201 122.884 122.820 -0.230 0.000 2.123 54 A HA -0.051 4.269 4.320 -0.001 0.000 0.214 54 A C 2.270 179.706 177.584 -0.246 0.000 1.152 54 A CA 1.009 52.935 52.037 -0.185 0.000 0.728 54 A CB -0.863 18.127 19.000 -0.017 0.000 0.814 54 A HN 0.537 nan 8.150 nan 0.000 0.464 55 C N -0.514 118.481 119.300 -0.509 0.000 2.475 55 C HA 0.037 4.497 4.460 -0.001 0.000 0.279 55 C C 2.304 176.743 174.990 -0.919 0.000 1.322 55 C CA 0.895 59.266 59.018 -1.078 0.000 1.734 55 C CB -0.963 25.947 27.740 -1.384 0.000 2.005 55 C HN 0.533 nan 8.230 nan 0.000 0.495 56 I N 1.877 121.868 120.570 -0.964 0.000 2.439 56 I HA -0.032 4.137 4.170 -0.001 0.000 0.251 56 I C 2.805 178.497 176.117 -0.707 0.000 1.139 56 I CA 1.731 62.421 61.300 -1.016 0.000 1.438 56 I CB -1.679 35.496 38.000 -1.374 0.000 1.085 56 I HN 0.447 nan 8.210 nan 0.000 0.427 57 A N 0.064 122.568 122.820 -0.527 0.000 2.021 57 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 57 A C 2.327 179.779 177.584 -0.219 0.000 1.163 57 A CA 1.022 52.861 52.037 -0.331 0.000 0.676 57 A CB -0.374 18.451 19.000 -0.292 0.000 0.818 57 A HN 0.466 nan 8.150 nan 0.000 0.453 58 E N -0.228 119.802 120.200 -0.284 0.000 2.046 58 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 58 E C 1.916 178.254 176.600 -0.436 0.000 0.982 58 E CA 1.169 57.413 56.400 -0.260 0.000 0.800 58 E CB -0.207 29.307 29.700 -0.311 0.000 0.756 58 E HN 0.438 nan 8.360 nan 0.000 0.449 59 L N 1.099 122.035 121.223 -0.478 0.000 2.012 59 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 59 L C 2.103 178.961 176.870 -0.021 0.000 1.073 59 L CA 1.697 56.372 54.840 -0.275 0.000 0.748 59 L CB -0.336 41.538 42.059 -0.308 0.000 0.891 59 L HN 0.241 nan 8.230 nan 0.000 0.431 60 I N -1.756 118.778 120.570 -0.061 0.000 2.286 60 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 60 I C 2.246 178.460 176.117 0.161 0.000 1.115 60 I CA 1.614 62.952 61.300 0.064 0.000 1.392 60 I CB -0.541 37.466 38.000 0.013 0.000 1.065 60 I HN 0.550 nan 8.210 nan 0.000 0.418 61 W N 1.625 122.908 121.300 -0.029 0.000 2.355 61 W HA -0.252 4.407 4.660 -0.001 0.000 0.309 61 W C 2.217 178.803 176.519 0.113 0.000 1.206 61 W CA 1.321 58.673 57.345 0.010 0.000 1.284 61 W CB -0.581 28.849 29.460 -0.050 0.000 1.145 61 W HN -0.003 nan 8.180 nan 0.000 0.502 62 F N 0.697 120.472 119.950 -0.292 0.000 2.063 62 F HA -0.273 4.253 4.527 -0.001 0.000 0.298 62 F C 2.404 178.070 175.800 -0.225 0.000 1.109 62 F CA 1.689 59.367 58.000 -0.536 0.000 1.212 62 F CB -1.563 37.151 39.000 -0.477 0.000 0.973 62 F HN -0.099 nan 8.300 nan 0.000 0.480 63 L N -0.206 121.183 121.223 0.276 0.000 2.275 63 L HA -0.164 4.176 4.340 -0.001 0.000 0.215 63 L C 2.310 179.267 176.870 0.145 0.000 1.119 63 L CA 1.334 56.361 54.840 0.311 0.000 0.790 63 L CB -0.654 41.584 42.059 0.299 0.000 0.919 63 L HN 0.241 nan 8.230 nan 0.000 0.443 64 S N -0.938 114.787 115.700 0.041 0.000 2.562 64 S HA 0.057 4.527 4.470 -0.001 0.000 0.221 64 S C 1.574 176.136 174.600 -0.063 0.000 0.975 64 S CA 0.467 58.671 58.200 0.007 0.000 0.918 64 S CB 0.214 63.429 63.200 0.024 0.000 0.772 64 S HN 0.532 nan 8.310 nan 0.000 0.531 65 G N 0.519 109.234 108.800 -0.141 0.000 2.159 65 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.256 65 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.256 65 G C 0.158 174.895 174.900 -0.272 0.000 0.977 65 G CA 0.398 45.396 45.100 -0.170 0.000 0.652 65 G HN 0.839 nan 8.290 nan 0.000 0.531 66 S N -1.355 114.100 115.700 -0.408 0.000 2.645 66 S HA 0.718 5.187 4.470 -0.001 0.000 0.266 66 S C 1.171 175.418 174.600 -0.588 0.000 1.258 66 S CA 1.131 59.110 58.200 -0.369 0.000 0.990 66 S CB 1.666 64.760 63.200 -0.176 0.000 0.967 66 S HN 0.960 nan 8.310 nan 0.000 0.556 67 T N 1.282 115.699 114.554 -0.228 0.000 3.328 67 T HA 0.216 4.565 4.350 -0.001 0.000 0.297 67 T C -0.682 174.054 174.700 0.059 0.000 0.882 67 T CA -0.420 61.578 62.100 -0.171 0.000 0.906 67 T CB -0.387 68.337 68.868 -0.239 0.000 1.210 67 T HN 0.534 nan 8.240 nan 0.000 0.631 68 N N 1.322 120.119 118.700 0.162 0.000 2.408 68 N HA 0.303 5.043 4.740 -0.001 0.000 0.280 68 N C 1.430 177.000 175.510 0.099 0.000 1.002 68 N CA -0.159 52.921 53.050 0.051 0.000 0.907 68 N CB 1.903 40.391 38.487 0.000 0.000 1.161 68 N HN -0.023 nan 8.380 nan 0.000 0.488 69 V N 4.211 124.049 119.914 -0.127 0.000 2.287 69 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 69 V C 1.612 177.543 176.094 -0.272 0.000 1.053 69 V CA 1.876 63.997 62.300 -0.298 0.000 1.027 69 V CB -0.782 30.842 31.823 -0.331 0.000 0.646 69 V HN 0.683 nan 8.190 nan 0.000 0.447 70 N N 0.414 119.012 118.700 -0.171 0.000 2.272 70 N HA -0.178 4.561 4.740 -0.001 0.000 0.185 70 N C 1.476 176.928 175.510 -0.097 0.000 1.014 70 N CA 1.501 54.484 53.050 -0.111 0.000 0.870 70 N CB -0.364 38.085 38.487 -0.064 0.000 0.975 70 N HN 0.525 nan 8.380 nan 0.000 0.433 71 D N 0.241 120.604 120.400 -0.062 0.000 2.144 71 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 71 D C 1.966 178.196 176.300 -0.118 0.000 0.984 71 D CA 0.640 54.644 54.000 0.006 0.000 0.834 71 D CB -0.235 40.685 40.800 0.200 0.000 0.955 71 D HN 0.196 nan 8.370 nan 0.000 0.465 72 L N 1.577 122.512 121.223 -0.481 0.000 2.046 72 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 72 L C 2.205 178.874 176.870 -0.335 0.000 1.077 72 L CA 1.548 55.956 54.840 -0.720 0.000 0.747 72 L CB -0.433 40.762 42.059 -1.440 0.000 0.896 72 L HN -0.176 nan 8.230 nan 0.000 0.432 73 R N -0.485 119.877 120.500 -0.230 0.000 2.103 73 R HA -0.187 4.153 4.340 -0.001 0.000 0.242 73 R C 2.247 178.530 176.300 -0.029 0.000 1.142 73 R CA 1.763 57.820 56.100 -0.072 0.000 0.960 73 R CB -0.885 29.404 30.300 -0.018 0.000 0.858 73 R HN 0.439 nan 8.270 nan 0.000 0.439 74 L N 1.359 122.558 121.223 -0.040 0.000 2.042 74 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 74 L C 1.980 178.839 176.870 -0.018 0.000 1.076 74 L CA 1.893 56.728 54.840 -0.008 0.000 0.749 74 L CB -0.532 41.527 42.059 -0.000 0.000 0.893 74 L HN 0.241 nan 8.230 nan 0.000 0.432 75 I N -0.389 120.152 120.570 -0.050 0.000 2.286 75 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 75 I C 2.713 178.770 176.117 -0.100 0.000 1.104 75 I CA 0.952 62.223 61.300 -0.048 0.000 1.397 75 I CB -0.179 37.801 38.000 -0.033 0.000 1.072 75 I HN 0.381 nan 8.210 nan 0.000 0.417 76 Q N -0.100 119.590 119.800 -0.184 0.000 2.033 76 Q HA -0.138 4.201 4.340 -0.001 0.000 0.196 76 Q C 1.539 177.377 176.000 -0.270 0.000 0.970 76 Q CA 1.416 57.030 55.803 -0.315 0.000 0.828 76 Q CB -0.113 28.272 28.738 -0.589 0.000 0.895 76 Q HN 0.646 nan 8.270 nan 0.000 0.440 77 H N -0.268 118.775 119.070 -0.045 0.000 2.586 77 H HA 0.038 4.593 4.556 -0.001 0.000 0.273 77 H C -0.187 175.131 175.328 -0.017 0.000 0.997 77 H CA -0.289 55.742 56.048 -0.028 0.000 1.177 77 H CB 0.676 30.418 29.762 -0.033 0.000 1.471 77 H HN 0.165 nan 8.280 nan 0.000 0.538 78 D N 0.845 121.289 120.400 0.074 0.000 2.983 78 D HA -0.194 4.445 4.640 -0.001 0.000 0.225 78 D C -0.654 175.673 176.300 0.046 0.000 1.174 78 D CA 1.093 55.122 54.000 0.048 0.000 0.831 78 D CB -1.063 39.765 40.800 0.046 0.000 1.104 78 D HN 0.343 nan 8.370 nan 0.000 0.421 79 S N -0.572 115.162 115.700 0.057 0.000 2.668 79 S HA 0.400 4.869 4.470 -0.001 0.000 0.277 79 S C 0.394 175.010 174.600 0.027 0.000 1.170 79 S CA -0.660 57.561 58.200 0.035 0.000 0.994 79 S CB 1.259 64.475 63.200 0.027 0.000 1.051 79 S HN 0.129 nan 8.310 nan 0.000 0.484 80 L N 5.712 126.942 121.223 0.010 0.000 2.456 80 L HA 0.179 4.518 4.340 -0.001 0.000 0.224 80 L C 1.341 178.209 176.870 -0.004 0.000 1.148 80 L CA 1.777 56.616 54.840 -0.001 0.000 0.825 80 L CB -0.221 41.837 42.059 -0.001 0.000 0.937 80 L HN 0.867 nan 8.230 nan 0.000 0.450 81 I N -5.887 114.682 120.570 -0.001 0.000 4.228 81 I HA 0.179 4.348 4.170 -0.001 0.000 0.298 81 I C 0.591 176.698 176.117 -0.017 0.000 1.206 81 I CA -0.351 60.947 61.300 -0.004 0.000 1.322 81 I CB -0.026 37.972 38.000 -0.002 0.000 1.411 81 I HN -0.135 nan 8.210 nan 0.000 0.454 82 Q N 2.647 122.424 119.800 -0.038 0.000 2.278 82 Q HA 0.581 4.920 4.340 -0.001 0.000 0.257 82 Q C -0.534 175.347 176.000 -0.198 0.000 0.928 82 Q CA -0.029 55.721 55.803 -0.088 0.000 0.932 82 Q CB 1.752 30.438 28.738 -0.086 0.000 1.221 82 Q HN 0.574 nan 8.270 nan 0.000 0.434 83 G N 2.460 111.126 108.800 -0.222 0.000 3.239 83 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.666 83 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.666 83 G C -0.830 174.050 174.900 -0.033 0.000 1.313 83 G CA -0.963 43.885 45.100 -0.419 0.000 1.001 83 G HN 0.567 nan 8.290 nan 0.000 0.573 84 K N 0.093 120.507 120.400 0.022 0.000 2.156 84 K HA 0.801 5.121 4.320 -0.001 0.000 0.242 84 K C 0.022 176.709 176.600 0.146 0.000 1.033 84 K CA -0.212 56.122 56.287 0.077 0.000 0.878 84 K CB 1.246 33.778 32.500 0.052 0.000 1.057 84 K HN 0.598 nan 8.250 nan 0.000 0.505 85 T N -0.730 113.871 114.554 0.078 0.000 2.893 85 T HA 0.104 4.453 4.350 -0.001 0.000 0.337 85 T C 0.655 175.375 174.700 0.033 0.000 1.587 85 T CA -0.357 61.766 62.100 0.038 0.000 1.066 85 T CB 1.309 70.169 68.868 -0.014 0.000 1.414 85 T HN 0.538 nan 8.240 nan 0.000 0.488 86 V N 0.281 120.198 119.914 0.006 0.000 2.511 86 V HA -0.130 3.990 4.120 -0.001 0.000 0.257 86 V C 1.455 177.494 176.094 -0.092 0.000 1.088 86 V CA 1.773 64.031 62.300 -0.071 0.000 1.098 86 V CB -0.800 30.966 31.823 -0.094 0.000 0.674 86 V HN 0.876 nan 8.190 nan 0.000 0.470 87 W N -0.265 121.008 121.300 -0.046 0.000 3.220 87 W HA 0.320 4.980 4.660 -0.001 0.000 0.328 87 W C 1.881 178.447 176.519 0.078 0.000 1.205 87 W CA -0.089 57.273 57.345 0.029 0.000 1.773 87 W CB 0.035 29.516 29.460 0.036 0.000 1.086 87 W HN 0.138 nan 8.180 nan 0.000 0.622 88 D N 0.787 121.321 120.400 0.224 0.000 2.108 88 D HA -0.161 4.479 4.640 -0.001 0.000 0.190 88 D C 0.271 176.688 176.300 0.195 0.000 0.995 88 D CA 1.476 55.615 54.000 0.231 0.000 0.834 88 D CB -0.256 40.627 40.800 0.140 0.000 0.967 88 D HN 0.093 nan 8.370 nan 0.000 0.446 89 E N 0.579 120.837 120.200 0.096 0.000 1.892 89 E HA 0.186 4.535 4.350 -0.001 0.000 0.271 89 E C 0.492 177.125 176.600 0.055 0.000 1.146 89 E CA -0.058 56.369 56.400 0.045 0.000 1.096 89 E CB -0.031 29.673 29.700 0.007 0.000 1.155 89 E HN 0.158 nan 8.360 nan 0.000 0.458 90 N N 0.622 119.395 118.700 0.121 0.000 2.454 90 N HA -0.157 4.582 4.740 -0.001 0.000 0.321 90 N C 0.734 176.404 175.510 0.267 0.000 0.690 90 N CA 0.172 53.322 53.050 0.167 0.000 0.556 90 N CB -0.297 38.300 38.487 0.184 0.000 2.430 90 N HN 0.350 nan 8.380 nan 0.000 1.189 91 Y N 2.696 123.113 120.300 0.196 0.000 2.138 91 Y HA 0.216 4.766 4.550 -0.001 0.000 0.286 91 Y C 1.798 177.754 175.900 0.093 0.000 1.115 91 Y CA 2.106 60.306 58.100 0.166 0.000 1.105 91 Y CB -0.716 37.837 38.460 0.155 0.000 1.004 91 Y HN -0.023 nan 8.280 nan 0.000 0.494 92 E N 0.580 120.530 120.200 -0.418 0.000 2.444 92 E HA -0.211 4.138 4.350 -0.001 0.000 0.204 92 E C 1.048 177.501 176.600 -0.244 0.000 1.049 92 E CA 1.353 57.479 56.400 -0.457 0.000 0.872 92 E CB -0.130 29.439 29.700 -0.218 0.000 0.791 92 E HN 0.751 nan 8.360 nan 0.000 0.548 93 N N -2.143 116.477 118.700 -0.134 0.000 3.400 93 N HA -0.069 4.670 4.740 -0.001 0.000 0.246 93 N C 1.421 176.907 175.510 -0.040 0.000 1.034 93 N CA -0.135 52.864 53.050 -0.085 0.000 1.158 93 N CB -0.257 38.201 38.487 -0.048 0.000 1.349 93 N HN -0.114 nan 8.380 nan 0.000 0.865 94 Q N 1.144 120.957 119.800 0.022 0.000 2.077 94 Q HA -0.007 4.332 4.340 -0.001 0.000 0.206 94 Q C 2.066 178.102 176.000 0.059 0.000 0.989 94 Q CA 2.368 58.201 55.803 0.050 0.000 0.853 94 Q CB -0.480 28.319 28.738 0.102 0.000 0.907 94 Q HN 0.616 nan 8.270 nan 0.000 0.418 95 A N 1.019 123.924 122.820 0.140 0.000 1.873 95 A HA -0.162 4.158 4.320 -0.001 0.000 0.215 95 A C 2.082 179.710 177.584 0.074 0.000 1.186 95 A CA 1.494 53.664 52.037 0.221 0.000 0.616 95 A CB -0.364 18.921 19.000 0.476 0.000 0.823 95 A HN 0.218 nan 8.150 nan 0.000 0.442 96 K N -0.463 119.911 120.400 -0.044 0.000 2.209 96 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 96 K C 1.044 177.551 176.600 -0.154 0.000 1.048 96 K CA 1.147 57.338 56.287 -0.160 0.000 0.940 96 K CB -0.101 32.214 32.500 -0.309 0.000 0.729 96 K HN 0.370 nan 8.250 nan 0.000 0.451 97 D N 0.572 120.901 120.400 -0.117 0.000 2.350 97 D HA -0.087 4.553 4.640 -0.001 0.000 0.216 97 D C 1.383 177.600 176.300 -0.137 0.000 0.968 97 D CA 0.824 54.763 54.000 -0.101 0.000 0.894 97 D CB 0.254 41.016 40.800 -0.064 0.000 0.909 97 D HN 0.246 nan 8.370 nan 0.000 0.520 98 L N -1.610 119.470 121.223 -0.238 0.000 2.477 98 L HA 0.238 4.578 4.340 -0.001 0.000 0.220 98 L C 1.743 178.366 176.870 -0.413 0.000 1.106 98 L CA 0.584 55.199 54.840 -0.375 0.000 0.851 98 L CB 0.327 41.996 42.059 -0.650 0.000 0.994 98 L HN 0.066 nan 8.230 nan 0.000 0.462 99 G N -2.155 106.453 108.800 -0.320 0.000 2.318 99 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.172 99 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.172 99 G C -0.043 174.915 174.900 0.097 0.000 1.002 99 G CA -0.711 44.331 45.100 -0.096 0.000 0.697 99 G HN -0.005 nan 8.290 nan 0.000 0.483 100 Y N 1.216 121.533 120.300 0.028 0.000 2.550 100 Y HA 0.584 5.134 4.550 -0.001 0.000 0.343 100 Y C 1.019 176.903 175.900 -0.028 0.000 1.245 100 Y CA -0.289 57.854 58.100 0.071 0.000 1.462 100 Y CB 0.306 38.828 38.460 0.103 0.000 1.340 100 Y HN 0.318 nan 8.280 nan 0.000 0.604 101 H N -2.078 117.178 119.070 0.310 0.000 2.895 101 H HA 0.314 4.870 4.556 -0.001 0.000 0.373 101 H C -0.403 175.039 175.328 0.189 0.000 1.174 101 H CA -0.832 55.365 56.048 0.248 0.000 1.144 101 H CB 1.445 31.296 29.762 0.148 0.000 1.793 101 H HN 0.536 nan 8.280 nan 0.000 0.551 102 S N 1.912 117.812 115.700 0.333 0.000 3.604 102 S HA -0.149 4.321 4.470 -0.001 0.000 0.181 102 S C 1.204 175.811 174.600 0.011 0.000 0.504 102 S CA 1.144 59.457 58.200 0.188 0.000 1.393 102 S CB -1.205 62.107 63.200 0.187 0.000 1.223 102 S HN 1.154 nan 8.310 nan 0.000 0.320 103 G N 1.298 109.985 108.800 -0.189 0.000 3.736 103 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.196 103 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.196 103 G C -0.462 174.256 174.900 -0.303 0.000 1.811 103 G CA -0.443 44.494 45.100 -0.271 0.000 1.175 103 G HN 0.495 nan 8.290 nan 0.000 0.429 104 E N 1.045 121.138 120.200 -0.179 0.000 2.373 104 E HA 0.462 4.811 4.350 -0.001 0.000 0.267 104 E C 0.903 177.443 176.600 -0.099 0.000 1.032 104 E CA -0.060 56.214 56.400 -0.210 0.000 0.889 104 E CB 1.661 31.119 29.700 -0.403 0.000 0.984 104 E HN 0.400 nan 8.360 nan 0.000 0.425 105 L N 1.229 122.401 121.223 -0.085 0.000 2.590 105 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 105 L C 1.096 178.018 176.870 0.087 0.000 1.099 105 L CA 0.460 55.347 54.840 0.078 0.000 0.872 105 L CB 0.105 42.163 42.059 -0.001 0.000 1.088 105 L HN 0.783 nan 8.230 nan 0.000 0.479 106 G N 0.879 109.589 108.800 -0.150 0.000 2.631 106 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.504 106 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.504 106 G C -2.651 172.195 174.900 -0.089 0.000 1.306 106 G CA -0.687 44.362 45.100 -0.086 0.000 0.897 106 G HN -0.082 nan 8.290 nan 0.000 0.520 107 P HA 0.277 nan 4.420 nan 0.000 0.231 107 P C 0.544 177.734 177.300 -0.182 0.000 1.756 107 P CA -0.177 62.852 63.100 -0.118 0.000 0.990 107 P CB -0.266 31.395 31.700 -0.065 0.000 1.973 108 I N 0.752 121.186 120.570 -0.226 0.000 3.060 108 I HA -0.093 4.076 4.170 -0.001 0.000 0.285 108 I C 2.141 178.010 176.117 -0.414 0.000 1.190 108 I CA -0.298 60.823 61.300 -0.298 0.000 1.363 108 I CB -0.639 37.159 38.000 -0.336 0.000 1.396 108 I HN 0.159 nan 8.210 nan 0.000 0.607 109 Y N 3.482 123.433 120.300 -0.582 0.000 2.066 109 Y HA -0.374 4.175 4.550 -0.001 0.000 0.235 109 Y C 2.432 177.611 175.900 -1.201 0.000 1.262 109 Y CA 2.305 59.837 58.100 -0.948 0.000 1.032 109 Y CB -1.684 35.788 38.460 -1.647 0.000 0.832 109 Y HN 0.741 nan 8.280 nan 0.000 0.520 110 G N -0.435 107.699 108.800 -1.111 0.000 2.529 110 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.219 110 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.219 110 G C 1.583 176.240 174.900 -0.404 0.000 1.177 110 G CA 1.860 46.462 45.100 -0.830 0.000 0.773 110 G HN 0.448 nan 8.290 nan 0.000 0.573 111 K N 0.462 120.647 120.400 -0.358 0.000 2.009 111 K HA -0.125 4.195 4.320 -0.001 0.000 0.210 111 K C 2.379 178.935 176.600 -0.072 0.000 1.049 111 K CA 1.801 57.976 56.287 -0.186 0.000 0.929 111 K CB -0.520 31.863 32.500 -0.195 0.000 0.714 111 K HN 0.291 nan 8.250 nan 0.000 0.440 112 Q N -0.714 119.044 119.800 -0.069 0.000 2.439 112 Q HA -0.144 4.196 4.340 -0.001 0.000 0.211 112 Q C 1.599 177.841 176.000 0.403 0.000 0.978 112 Q CA 0.993 56.884 55.803 0.147 0.000 0.897 112 Q CB -0.218 28.624 28.738 0.173 0.000 0.956 112 Q HN 0.483 nan 8.270 nan 0.000 0.483 113 W N 0.762 122.078 121.300 0.027 0.000 2.481 113 W HA 0.060 4.720 4.660 -0.001 0.000 0.293 113 W C 1.958 178.504 176.519 0.046 0.000 1.201 113 W CA 0.193 57.569 57.345 0.050 0.000 1.328 113 W CB -0.111 29.379 29.460 0.051 0.000 1.112 113 W HN 0.080 nan 8.180 nan 0.000 0.546 114 R N -0.394 120.254 120.500 0.247 0.000 2.280 114 R HA 0.031 4.370 4.340 -0.001 0.000 0.195 114 R C -0.241 176.122 176.300 0.104 0.000 0.935 114 R CA 0.762 56.948 56.100 0.142 0.000 1.033 114 R CB -0.071 30.278 30.300 0.082 0.000 0.964 114 R HN 0.056 nan 8.270 nan 0.000 0.489 115 D N -0.363 120.106 120.400 0.116 0.000 3.256 115 D HA 0.019 4.658 4.640 -0.001 0.000 0.332 115 D C -1.449 174.947 176.300 0.160 0.000 1.327 115 D CA -0.423 53.635 54.000 0.096 0.000 0.735 115 D CB -0.291 40.527 40.800 0.030 0.000 1.280 115 D HN -0.164 nan 8.370 nan 0.000 0.572 116 F N 1.359 121.329 119.950 0.034 0.000 2.509 116 F HA 0.473 5.000 4.527 -0.001 0.000 0.350 116 F C 1.454 177.267 175.800 0.021 0.000 1.220 116 F CA 0.397 58.415 58.000 0.030 0.000 1.151 116 F CB 0.066 39.094 39.000 0.047 0.000 1.379 116 F HN 0.306 nan 8.300 nan 0.000 0.610 117 G N 2.980 111.935 108.800 0.259 0.000 2.143 117 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.248 117 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.248 117 G C 1.097 176.072 174.900 0.125 0.000 0.991 117 G CA 0.384 45.598 45.100 0.190 0.000 0.689 117 G HN 1.987 nan 8.290 nan 0.000 0.522 118 G N -2.760 106.104 108.800 0.108 0.000 2.213 118 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.236 118 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.236 118 G C 0.482 175.425 174.900 0.071 0.000 0.991 118 G CA 0.367 45.510 45.100 0.070 0.000 0.629 118 G HN 1.719 nan 8.290 nan 0.000 0.517 119 V N 2.076 122.045 119.914 0.092 0.000 2.446 119 V HA 0.375 4.494 4.120 -0.001 0.000 0.276 119 V C 0.439 176.576 176.094 0.073 0.000 1.030 119 V CA -0.094 62.241 62.300 0.058 0.000 1.033 119 V CB 1.508 33.343 31.823 0.021 0.000 0.993 119 V HN 0.336 nan 8.190 nan 0.000 0.477 120 D N 5.023 125.456 120.400 0.055 0.000 2.435 120 D HA 0.075 4.714 4.640 -0.001 0.000 0.230 120 D C 1.336 177.669 176.300 0.054 0.000 1.215 120 D CA -0.230 53.809 54.000 0.065 0.000 0.947 120 D CB 0.915 41.746 40.800 0.052 0.000 1.048 120 D HN 0.770 nan 8.370 nan 0.000 0.512 121 Q N 2.703 122.540 119.800 0.060 0.000 2.482 121 Q HA -0.051 4.288 4.340 -0.001 0.000 0.209 121 Q C 1.045 177.062 176.000 0.028 0.000 0.961 121 Q CA 0.189 56.001 55.803 0.016 0.000 0.945 121 Q CB 0.429 29.145 28.738 -0.037 0.000 1.012 121 Q HN 0.380 nan 8.270 nan 0.000 0.515 122 I N 1.187 121.804 120.570 0.078 0.000 2.272 122 I HA -0.145 4.025 4.170 -0.001 0.000 0.235 122 I C 2.373 178.534 176.117 0.073 0.000 1.071 122 I CA 0.753 62.110 61.300 0.095 0.000 1.374 122 I CB -0.704 37.391 38.000 0.157 0.000 1.121 122 I HN 0.263 nan 8.210 nan 0.000 0.420 123 I N 1.269 121.879 120.570 0.067 0.000 2.236 123 I HA -0.342 3.827 4.170 -0.001 0.000 0.249 123 I C 2.287 178.417 176.117 0.022 0.000 1.102 123 I CA 1.982 63.306 61.300 0.041 0.000 1.365 123 I CB -0.075 37.948 38.000 0.039 0.000 1.051 123 I HN 0.403 nan 8.210 nan 0.000 0.420 124 E N -0.531 119.681 120.200 0.021 0.000 2.447 124 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 124 E C 1.833 178.435 176.600 0.003 0.000 1.028 124 E CA 0.332 56.735 56.400 0.006 0.000 0.876 124 E CB 0.027 29.729 29.700 0.003 0.000 0.885 124 E HN 0.236 nan 8.360 nan 0.000 0.500 125 V N 0.506 120.432 119.914 0.020 0.000 2.951 125 V HA 0.050 4.169 4.120 -0.001 0.000 0.255 125 V C 1.715 177.807 176.094 -0.003 0.000 1.088 125 V CA 0.796 63.119 62.300 0.038 0.000 1.109 125 V CB -0.135 31.759 31.823 0.119 0.000 0.724 125 V HN 0.401 nan 8.190 nan 0.000 0.471 126 I N -0.275 120.282 120.570 -0.021 0.000 2.876 126 I HA -0.067 4.102 4.170 -0.001 0.000 0.264 126 I C 1.983 178.056 176.117 -0.072 0.000 1.204 126 I CA 0.795 62.047 61.300 -0.079 0.000 1.485 126 I CB -0.230 37.738 38.000 -0.054 0.000 1.103 126 I HN 0.308 nan 8.210 nan 0.000 0.446 127 D N 1.247 121.621 120.400 -0.043 0.000 2.084 127 D HA -0.118 4.522 4.640 -0.001 0.000 0.196 127 D C 2.235 178.511 176.300 -0.040 0.000 0.985 127 D CA 1.056 55.032 54.000 -0.039 0.000 0.826 127 D CB -0.297 40.488 40.800 -0.024 0.000 0.978 127 D HN 0.208 nan 8.370 nan 0.000 0.456 128 R N 0.560 121.042 120.500 -0.029 0.000 2.140 128 R HA -0.159 4.180 4.340 -0.001 0.000 0.250 128 R C 2.317 178.594 176.300 -0.037 0.000 1.150 128 R CA 0.996 57.082 56.100 -0.023 0.000 0.966 128 R CB -0.482 29.814 30.300 -0.007 0.000 0.869 128 R HN 0.298 nan 8.270 nan 0.000 0.445 129 I N 1.171 121.699 120.570 -0.070 0.000 2.226 129 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 129 I C 1.955 178.023 176.117 -0.081 0.000 1.100 129 I CA 1.319 62.559 61.300 -0.099 0.000 1.374 129 I CB -0.933 36.949 38.000 -0.196 0.000 1.057 129 I HN 0.074 nan 8.210 nan 0.000 0.413 130 K N 0.915 121.268 120.400 -0.079 0.000 2.283 130 K HA -0.117 4.203 4.320 -0.001 0.000 0.202 130 K C 1.947 178.520 176.600 -0.044 0.000 1.048 130 K CA 0.957 57.205 56.287 -0.065 0.000 0.948 130 K CB 0.131 32.594 32.500 -0.062 0.000 0.742 130 K HN 0.441 nan 8.250 nan 0.000 0.458 131 K N -0.751 119.627 120.400 -0.036 0.000 2.494 131 K HA 0.098 4.417 4.320 -0.001 0.000 0.201 131 K C 0.166 176.755 176.600 -0.019 0.000 1.338 131 K CA -0.128 56.144 56.287 -0.025 0.000 0.935 131 K CB 0.649 33.134 32.500 -0.023 0.000 1.514 131 K HN -0.128 nan 8.250 nan 0.000 0.490 132 L N 3.892 125.106 121.223 -0.017 0.000 3.084 132 L HA 0.252 4.591 4.340 -0.001 0.000 0.238 132 L C -1.985 174.880 176.870 -0.007 0.000 1.327 132 L CA -1.792 53.042 54.840 -0.010 0.000 1.094 132 L CB 0.560 42.615 42.059 -0.006 0.000 1.477 132 L HN 0.078 nan 8.230 nan 0.000 0.514 133 P HA -0.252 nan 4.420 nan 0.000 0.219 133 P C 0.533 177.838 177.300 0.007 0.000 1.158 133 P CA 1.502 64.596 63.100 -0.010 0.000 0.895 133 P CB 0.214 31.905 31.700 -0.015 0.000 0.792 134 N N -0.026 118.680 118.700 0.010 0.000 2.441 134 N HA 0.027 4.766 4.740 -0.001 0.000 0.225 134 N C 0.069 175.590 175.510 0.018 0.000 1.208 134 N CA -0.163 52.898 53.050 0.019 0.000 0.847 134 N CB -0.552 37.946 38.487 0.017 0.000 1.121 134 N HN 0.246 nan 8.380 nan 0.000 0.479 135 D N -0.477 119.933 120.400 0.017 0.000 2.344 135 D HA 0.165 4.804 4.640 -0.001 0.000 0.244 135 D C 1.028 177.344 176.300 0.026 0.000 1.134 135 D CA -0.185 53.825 54.000 0.016 0.000 0.930 135 D CB 0.850 41.657 40.800 0.011 0.000 1.175 135 D HN -0.106 nan 8.370 nan 0.000 0.437 136 R N 1.789 122.302 120.500 0.022 0.000 2.279 136 R HA 0.156 4.496 4.340 -0.001 0.000 0.195 136 R C 0.929 177.241 176.300 0.019 0.000 0.905 136 R CA 0.192 56.307 56.100 0.026 0.000 1.044 136 R CB -0.267 30.044 30.300 0.019 0.000 1.056 136 R HN 0.430 nan 8.270 nan 0.000 0.535 137 R N 2.670 123.174 120.500 0.008 0.000 3.441 137 R HA -0.004 4.336 4.340 -0.001 0.000 0.225 137 R C 0.074 176.368 176.300 -0.011 0.000 1.756 137 R CA 0.209 56.303 56.100 -0.010 0.000 1.504 137 R CB -0.317 29.974 30.300 -0.015 0.000 1.183 137 R HN 0.309 nan 8.270 nan 0.000 0.567 138 Q N 0.612 120.427 119.800 0.025 0.000 2.788 138 Q HA 0.314 4.654 4.340 -0.001 0.000 0.278 138 Q C -0.626 175.423 176.000 0.082 0.000 1.126 138 Q CA -0.163 55.686 55.803 0.077 0.000 1.017 138 Q CB 0.511 29.337 28.738 0.146 0.000 1.219 138 Q HN 0.235 nan 8.270 nan 0.000 0.503 139 I N 1.388 121.903 120.570 -0.092 0.000 2.441 139 I HA 0.463 4.633 4.170 -0.001 0.000 0.295 139 I C -0.259 175.583 176.117 -0.459 0.000 0.994 139 I CA -1.563 59.548 61.300 -0.314 0.000 1.144 139 I CB 2.161 39.932 38.000 -0.382 0.000 1.314 139 I HN 0.314 nan 8.210 nan 0.000 0.445 140 V N 3.049 122.500 119.914 -0.772 0.000 2.419 140 V HA 0.447 4.567 4.120 -0.001 0.000 0.287 140 V C -0.276 175.413 176.094 -0.675 0.000 1.017 140 V CA -0.229 61.644 62.300 -0.712 0.000 0.844 140 V CB 1.455 32.826 31.823 -0.752 0.000 1.011 140 V HN 0.791 nan 8.190 nan 0.000 0.429 141 S N 4.639 120.111 115.700 -0.380 0.000 2.565 141 S HA 0.736 5.205 4.470 -0.001 0.000 0.276 141 S C 1.069 175.844 174.600 0.291 0.000 1.326 141 S CA 0.267 58.496 58.200 0.047 0.000 1.045 141 S CB 1.584 64.913 63.200 0.215 0.000 0.918 141 S HN 1.689 nan 8.310 nan 0.000 0.505 142 A N 5.001 128.110 122.820 0.482 0.000 2.211 142 A HA 0.250 4.570 4.320 -0.001 0.000 0.208 142 A C 0.458 178.309 177.584 0.446 0.000 1.250 142 A CA -0.500 51.840 52.037 0.505 0.000 0.935 142 A CB -0.065 19.251 19.000 0.526 0.000 0.982 142 A HN 0.881 nan 8.150 nan 0.000 0.490 143 W N 2.373 123.837 121.300 0.273 0.000 2.419 143 W HA 0.290 4.950 4.660 -0.000 0.000 0.312 143 W C -0.957 175.690 176.519 0.212 0.000 1.323 143 W CA -0.099 57.338 57.345 0.153 0.000 1.293 143 W CB 0.449 29.980 29.460 0.120 0.000 1.324 143 W HN 0.222 nan 8.180 nan 0.000 0.512 144 N N 8.281 126.895 118.700 -0.143 0.000 2.626 144 N HA 0.204 4.943 4.740 -0.001 0.000 0.242 144 N C -1.897 173.346 175.510 -0.445 0.000 1.005 144 N CA -1.936 50.904 53.050 -0.350 0.000 0.905 144 N CB 1.548 39.570 38.487 -0.774 0.000 1.128 144 N HN 0.101 nan 8.380 nan 0.000 0.512 145 P HA -0.117 nan 4.420 nan 0.000 0.216 145 P C 0.782 177.905 177.300 -0.295 0.000 1.153 145 P CA 1.332 64.242 63.100 -0.316 0.000 0.858 145 P CB 0.278 31.959 31.700 -0.031 0.000 0.789 146 A N -0.908 121.779 122.820 -0.220 0.000 2.209 146 A HA -0.091 4.229 4.320 -0.001 0.000 0.212 146 A C 1.593 179.009 177.584 -0.281 0.000 1.158 146 A CA 1.140 53.057 52.037 -0.200 0.000 0.742 146 A CB -0.744 18.188 19.000 -0.113 0.000 0.790 146 A HN 0.219 nan 8.150 nan 0.000 0.472 147 E N -1.005 118.980 120.200 -0.358 0.000 2.676 147 E HA 0.242 4.592 4.350 -0.001 0.000 0.222 147 E C 0.981 177.334 176.600 -0.412 0.000 0.968 147 E CA -0.227 55.955 56.400 -0.364 0.000 1.090 147 E CB 0.268 29.828 29.700 -0.234 0.000 1.066 147 E HN 0.512 nan 8.360 nan 0.000 0.496 148 L N 0.980 121.921 121.223 -0.470 0.000 2.043 148 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 148 L C 2.212 178.870 176.870 -0.352 0.000 1.075 148 L CA 1.009 55.574 54.840 -0.459 0.000 0.752 148 L CB -0.397 41.326 42.059 -0.560 0.000 0.891 148 L HN 0.044 nan 8.230 nan 0.000 0.432 149 K N 0.003 120.129 120.400 -0.456 0.000 2.228 149 K HA -0.190 4.129 4.320 -0.001 0.000 0.205 149 K C 1.343 177.726 176.600 -0.362 0.000 1.045 149 K CA 1.574 57.580 56.287 -0.469 0.000 0.931 149 K CB -0.356 31.743 32.500 -0.669 0.000 0.727 149 K HN 0.401 nan 8.250 nan 0.000 0.458 150 Y N -0.767 119.509 120.300 -0.040 0.000 2.571 150 Y HA 0.327 4.877 4.550 -0.001 0.000 0.275 150 Y C 0.490 176.446 175.900 0.093 0.000 1.179 150 Y CA -0.358 57.773 58.100 0.051 0.000 1.242 150 Y CB -0.306 38.194 38.460 0.067 0.000 1.126 150 Y HN -0.136 nan 8.280 nan 0.000 0.524 151 M N -0.836 118.826 119.600 0.104 0.000 2.404 151 M HA 0.528 5.007 4.480 -0.001 0.000 0.338 151 M C 1.321 177.709 176.300 0.145 0.000 1.150 151 M CA -0.532 54.832 55.300 0.106 0.000 1.016 151 M CB 1.909 34.500 32.600 -0.014 0.000 1.672 151 M HN 0.173 nan 8.290 nan 0.000 0.448 152 A N 3.332 126.286 122.820 0.224 0.000 1.881 152 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 152 A C 0.788 178.514 177.584 0.237 0.000 1.215 152 A CA 1.665 53.859 52.037 0.261 0.000 0.648 152 A CB -0.202 19.030 19.000 0.387 0.000 0.832 152 A HN 0.770 nan 8.150 nan 0.000 0.455 153 L N 0.183 121.580 121.223 0.289 0.000 2.441 153 L HA 0.434 4.774 4.340 -0.001 0.000 0.270 153 L C -2.765 174.216 176.870 0.184 0.000 0.973 153 L CA -2.531 52.457 54.840 0.246 0.000 0.842 153 L CB 2.367 44.607 42.059 0.301 0.000 1.239 153 L HN 0.065 nan 8.230 nan 0.000 0.406 154 P HA 0.195 nan 4.420 nan 0.000 0.266 154 P C -2.633 174.747 177.300 0.133 0.000 1.195 154 P CA -0.930 62.206 63.100 0.059 0.000 0.768 154 P CB -0.208 31.528 31.700 0.060 0.000 0.838 155 P HA 0.048 nan 4.420 nan 0.000 0.265 155 P C 0.540 177.977 177.300 0.228 0.000 1.193 155 P CA 0.087 63.084 63.100 -0.172 0.000 0.765 155 P CB 0.209 31.658 31.700 -0.418 0.000 0.823 156 C N 1.099 120.612 119.300 0.355 0.000 2.507 156 C HA -0.006 4.454 4.460 -0.001 0.000 0.280 156 C C 1.129 176.463 174.990 0.574 0.000 1.345 156 C CA 0.360 59.637 59.018 0.432 0.000 1.736 156 C CB -1.286 26.724 27.740 0.450 0.000 2.060 156 C HN 0.591 nan 8.230 nan 0.000 0.498 157 H N 1.341 120.839 119.070 0.714 0.000 2.705 157 H HA 0.376 4.932 4.556 -0.001 0.000 0.291 157 H C 0.349 176.156 175.328 0.799 0.000 1.085 157 H CA -0.445 56.095 56.048 0.819 0.000 1.357 157 H CB 0.050 30.374 29.762 0.937 0.000 1.419 157 H HN 0.537 nan 8.280 nan 0.000 0.462 158 M N 0.515 120.542 119.600 0.711 0.000 2.304 158 M HA 0.391 4.870 4.480 -0.001 0.000 0.281 158 M C -1.259 175.438 176.300 0.661 0.000 1.014 158 M CA 0.051 55.705 55.300 0.590 0.000 1.054 158 M CB 0.959 33.796 32.600 0.395 0.000 1.551 158 M HN 0.192 nan 8.290 nan 0.000 0.548 159 F N 1.288 121.454 119.950 0.359 0.000 2.662 159 F HA 0.697 5.223 4.527 -0.001 0.000 0.312 159 F C -1.708 174.228 175.800 0.226 0.000 1.113 159 F CA -1.406 56.690 58.000 0.161 0.000 0.951 159 F CB 1.910 40.968 39.000 0.098 0.000 1.344 159 F HN 0.237 nan 8.300 nan 0.000 0.462 160 Y N 0.600 120.764 120.300 -0.226 0.000 2.583 160 Y HA 0.526 5.075 4.550 -0.001 0.000 0.330 160 Y C -1.839 173.818 175.900 -0.404 0.000 1.185 160 Y CA -1.168 56.785 58.100 -0.246 0.000 1.107 160 Y CB 0.777 39.039 38.460 -0.330 0.000 1.344 160 Y HN 0.539 nan 8.280 nan 0.000 0.463 161 Q N 2.228 121.981 119.800 -0.078 0.000 2.365 161 Q HA 0.568 4.907 4.340 -0.001 0.000 0.269 161 Q C -1.963 173.978 176.000 -0.100 0.000 1.061 161 Q CA -0.698 55.051 55.803 -0.090 0.000 0.816 161 Q CB 2.584 31.313 28.738 -0.014 0.000 1.325 161 Q HN 0.754 nan 8.270 nan 0.000 0.446 162 F N 1.288 121.283 119.950 0.076 0.000 2.492 162 F HA 0.445 4.971 4.527 -0.001 0.000 0.327 162 F C 0.330 176.157 175.800 0.045 0.000 1.079 162 F CA -0.721 57.320 58.000 0.068 0.000 0.967 162 F CB 1.666 40.703 39.000 0.062 0.000 1.169 162 F HN 0.421 nan 8.300 nan 0.000 0.472 163 N N 0.047 118.909 118.700 0.270 0.000 2.249 163 N HA 0.645 5.384 4.740 -0.001 0.000 0.296 163 N C -1.889 173.703 175.510 0.136 0.000 1.051 163 N CA -0.437 52.705 53.050 0.154 0.000 0.815 163 N CB 2.114 40.668 38.487 0.111 0.000 1.487 163 N HN 0.245 nan 8.380 nan 0.000 0.475 164 V N 3.791 123.761 119.914 0.093 0.000 2.347 164 V HA 0.427 4.546 4.120 -0.001 0.000 0.280 164 V C 1.206 177.352 176.094 0.086 0.000 1.021 164 V CA -0.541 61.805 62.300 0.076 0.000 0.847 164 V CB 1.012 32.857 31.823 0.036 0.000 0.990 164 V HN 0.684 nan 8.190 nan 0.000 0.444 165 R N 2.859 123.436 120.500 0.129 0.000 0.783 165 R HA 0.151 4.490 4.340 -0.001 0.000 0.060 165 R C 0.488 176.866 176.300 0.131 0.000 0.533 165 R CA 0.453 56.639 56.100 0.145 0.000 2.119 165 R CB 0.082 30.521 30.300 0.231 0.000 0.516 165 R HN 0.681 nan 8.270 nan 0.000 0.787 166 N N -0.775 118.031 118.700 0.176 0.000 2.762 166 N HA 0.176 4.916 4.740 -0.001 0.000 0.252 166 N C -0.749 174.803 175.510 0.070 0.000 1.269 166 N CA 0.283 53.388 53.050 0.092 0.000 0.799 166 N CB 1.237 39.769 38.487 0.076 0.000 1.173 166 N HN 0.698 nan 8.380 nan 0.000 0.516 167 G N 1.072 109.877 108.800 0.009 0.000 2.184 167 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.206 167 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.206 167 G C -0.832 173.893 174.900 -0.291 0.000 0.995 167 G CA -0.281 44.718 45.100 -0.168 0.000 0.651 167 G HN 0.457 nan 8.290 nan 0.000 0.511 168 Y N -1.157 119.146 120.300 0.005 0.000 2.562 168 Y HA 0.787 5.337 4.550 -0.000 0.000 0.343 168 Y C 0.047 175.956 175.900 0.015 0.000 1.025 168 Y CA -1.312 56.794 58.100 0.009 0.000 1.082 168 Y CB 1.898 40.371 38.460 0.023 0.000 1.264 168 Y HN 0.217 nan 8.280 nan 0.000 0.478 169 L N 2.544 123.879 121.223 0.188 0.000 2.329 169 L HA 0.629 4.968 4.340 -0.001 0.000 0.279 169 L C -1.372 175.611 176.870 0.189 0.000 1.014 169 L CA -0.368 54.550 54.840 0.131 0.000 0.814 169 L CB 1.237 43.326 42.059 0.051 0.000 1.257 169 L HN 0.577 nan 8.230 nan 0.000 0.424 170 D N 4.676 125.212 120.400 0.226 0.000 2.575 170 D HA 0.517 5.156 4.640 -0.001 0.000 0.236 170 D C -1.184 175.283 176.300 0.278 0.000 1.075 170 D CA -0.126 54.002 54.000 0.213 0.000 0.860 170 D CB 2.775 43.663 40.800 0.146 0.000 1.475 170 D HN 0.543 nan 8.370 nan 0.000 0.474 171 L N 0.754 122.098 121.223 0.201 0.000 2.370 171 L HA 0.495 4.835 4.340 -0.001 0.000 0.266 171 L C -1.388 175.525 176.870 0.071 0.000 1.002 171 L CA -0.474 54.398 54.840 0.053 0.000 0.818 171 L CB 2.340 44.366 42.059 -0.055 0.000 1.325 171 L HN 0.288 nan 8.230 nan 0.000 0.418 172 Q N 4.128 123.938 119.800 0.016 0.000 2.274 172 Q HA 0.352 4.692 4.340 -0.001 0.000 0.268 172 Q C -2.032 174.046 176.000 0.130 0.000 1.015 172 Q CA -0.837 55.018 55.803 0.087 0.000 0.775 172 Q CB 1.369 30.131 28.738 0.040 0.000 1.256 172 Q HN 0.634 nan 8.270 nan 0.000 0.442 173 W N 2.915 124.152 121.300 -0.105 0.000 2.509 173 W HA 0.521 5.181 4.660 -0.001 0.000 0.351 173 W C -1.347 175.268 176.519 0.159 0.000 1.107 173 W CA -1.354 55.968 57.345 -0.038 0.000 1.264 173 W CB -0.148 29.139 29.460 -0.289 0.000 1.312 173 W HN 0.626 nan 8.180 nan 0.000 0.608 174 Y N 1.634 122.113 120.300 0.298 0.000 2.364 174 Y HA 0.398 4.948 4.550 -0.001 0.000 0.340 174 Y C -0.738 175.340 175.900 0.296 0.000 0.975 174 Y CA -0.996 57.167 58.100 0.105 0.000 1.089 174 Y CB 1.826 40.331 38.460 0.075 0.000 1.192 174 Y HN 0.541 nan 8.280 nan 0.000 0.454 175 Q N 5.535 125.363 119.800 0.047 0.000 2.340 175 Q HA 0.375 4.714 4.340 -0.001 0.000 0.268 175 Q C 0.478 176.557 176.000 0.132 0.000 1.031 175 Q CA -0.641 55.387 55.803 0.375 0.000 0.804 175 Q CB 1.645 30.750 28.738 0.611 0.000 1.286 175 Q HN 0.902 nan 8.270 nan 0.000 0.448 176 R N 1.756 122.429 120.500 0.288 0.000 2.070 176 R HA 0.072 4.412 4.340 -0.001 0.000 0.233 176 R C -0.201 176.202 176.300 0.172 0.000 1.137 176 R CA 1.199 57.436 56.100 0.228 0.000 0.945 176 R CB 0.146 30.561 30.300 0.192 0.000 0.845 176 R HN 0.520 nan 8.270 nan 0.000 0.430 177 S N -0.673 115.135 115.700 0.180 0.000 2.547 177 S HA 0.513 4.983 4.470 -0.001 0.000 0.281 177 S C -1.382 173.229 174.600 0.017 0.000 1.118 177 S CA -0.860 57.391 58.200 0.084 0.000 0.947 177 S CB 1.975 65.293 63.200 0.198 0.000 1.053 177 S HN 0.088 nan 8.310 nan 0.000 0.482 178 V N 2.121 121.897 119.914 -0.230 0.000 2.823 178 V HA 0.583 4.702 4.120 -0.001 0.000 0.312 178 V C -0.822 175.067 176.094 -0.342 0.000 1.072 178 V CA -0.968 61.266 62.300 -0.111 0.000 0.937 178 V CB 2.009 33.873 31.823 0.069 0.000 1.013 178 V HN 0.821 nan 8.190 nan 0.000 0.430 179 D N 2.244 122.628 120.400 -0.026 0.000 2.485 179 D HA 0.303 4.943 4.640 -0.001 0.000 0.221 179 D C 0.970 177.368 176.300 0.162 0.000 1.112 179 D CA -0.167 53.902 54.000 0.114 0.000 0.911 179 D CB 1.540 42.492 40.800 0.254 0.000 1.019 179 D HN 0.291 nan 8.370 nan 0.000 0.516 180 V N 4.080 124.090 119.914 0.161 0.000 2.380 180 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 180 V C 2.182 178.479 176.094 0.340 0.000 1.063 180 V CA 1.119 63.558 62.300 0.230 0.000 1.055 180 V CB -0.792 31.177 31.823 0.243 0.000 0.657 180 V HN 0.478 nan 8.190 nan 0.000 0.455 181 F N 0.074 120.120 119.950 0.160 0.000 2.025 181 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 181 F C 1.694 177.587 175.800 0.156 0.000 1.132 181 F CA 1.768 59.861 58.000 0.154 0.000 1.191 181 F CB -0.230 38.861 39.000 0.151 0.000 0.963 181 F HN 0.074 nan 8.300 nan 0.000 0.481 182 L N -1.104 120.291 121.223 0.286 0.000 3.289 182 L HA 0.287 4.627 4.340 -0.001 0.000 0.291 182 L C 1.150 178.082 176.870 0.104 0.000 1.279 182 L CA 0.265 55.185 54.840 0.134 0.000 1.025 182 L CB 0.412 42.462 42.059 -0.014 0.000 1.413 182 L HN 0.245 nan 8.230 nan 0.000 0.593 183 G N -0.761 108.121 108.800 0.137 0.000 2.766 183 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.201 183 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.201 183 G C 0.896 175.864 174.900 0.113 0.000 1.177 183 G CA -0.046 45.115 45.100 0.101 0.000 0.773 183 G HN 0.049 nan 8.290 nan 0.000 0.648 184 L N 2.069 123.348 121.223 0.092 0.000 2.051 184 L HA 0.037 4.377 4.340 -0.001 0.000 0.214 184 L C -0.028 176.815 176.870 -0.044 0.000 1.076 184 L CA 2.095 56.937 54.840 0.003 0.000 0.758 184 L CB -1.001 41.000 42.059 -0.096 0.000 0.890 184 L HN 0.082 nan 8.230 nan 0.000 0.433 185 P HA -0.265 nan 4.420 nan 0.000 0.216 185 P C 1.746 179.074 177.300 0.047 0.000 1.157 185 P CA 1.709 64.815 63.100 0.011 0.000 0.880 185 P CB -0.245 31.524 31.700 0.115 0.000 0.791 186 F N -0.132 119.777 119.950 -0.068 0.000 2.269 186 F HA -0.148 4.378 4.527 -0.001 0.000 0.301 186 F C 1.664 177.331 175.800 -0.221 0.000 1.082 186 F CA 1.567 59.500 58.000 -0.113 0.000 1.360 186 F CB -0.658 38.288 39.000 -0.091 0.000 1.041 186 F HN -0.097 nan 8.300 nan 0.000 0.512 187 N N 0.109 118.803 118.700 -0.011 0.000 2.250 187 N HA -0.051 4.689 4.740 -0.001 0.000 0.181 187 N C 1.895 177.128 175.510 -0.462 0.000 1.017 187 N CA 1.130 53.994 53.050 -0.310 0.000 0.866 187 N CB -0.026 38.332 38.487 -0.215 0.000 0.985 187 N HN 0.237 nan 8.380 nan 0.000 0.429 188 I N 1.307 121.705 120.570 -0.286 0.000 2.091 188 I HA -0.325 3.844 4.170 -0.001 0.000 0.239 188 I C 2.514 178.357 176.117 -0.456 0.000 1.061 188 I CA 1.222 62.272 61.300 -0.417 0.000 1.317 188 I CB -0.536 37.133 38.000 -0.552 0.000 1.031 188 I HN 0.165 nan 8.210 nan 0.000 0.401 189 A N -0.008 122.583 122.820 -0.382 0.000 1.851 189 A HA -0.267 4.052 4.320 -0.001 0.000 0.216 189 A C 2.502 179.880 177.584 -0.343 0.000 1.195 189 A CA 2.473 54.327 52.037 -0.305 0.000 0.622 189 A CB -1.107 17.817 19.000 -0.127 0.000 0.831 189 A HN 0.379 nan 8.150 nan 0.000 0.444 190 S N -1.607 113.786 115.700 -0.511 0.000 2.368 190 S HA -0.224 4.246 4.470 -0.001 0.000 0.226 190 S C 1.882 176.149 174.600 -0.555 0.000 1.044 190 S CA 2.102 59.940 58.200 -0.603 0.000 1.062 190 S CB -0.537 62.200 63.200 -0.770 0.000 0.931 190 S HN 0.638 nan 8.310 nan 0.000 0.440 191 Y N 1.183 121.194 120.300 -0.481 0.000 2.395 191 Y HA 0.152 4.702 4.550 -0.001 0.000 0.293 191 Y C 2.425 178.215 175.900 -0.184 0.000 1.123 191 Y CA 0.345 58.212 58.100 -0.388 0.000 1.227 191 Y CB -0.773 37.322 38.460 -0.608 0.000 1.012 191 Y HN 0.291 nan 8.280 nan 0.000 0.552 192 A N -0.156 122.625 122.820 -0.064 0.000 1.892 192 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 192 A C 2.289 180.024 177.584 0.253 0.000 1.188 192 A CA 2.565 54.617 52.037 0.024 0.000 0.631 192 A CB -1.230 17.621 19.000 -0.249 0.000 0.822 192 A HN 0.411 nan 8.150 nan 0.000 0.447 193 T N 0.208 114.855 114.554 0.153 0.000 2.737 193 T HA -0.050 4.300 4.350 -0.001 0.000 0.265 193 T C 1.835 176.654 174.700 0.198 0.000 1.038 193 T CA 1.135 63.353 62.100 0.196 0.000 1.144 193 T CB -0.369 68.522 68.868 0.038 0.000 0.866 193 T HN 0.300 nan 8.240 nan 0.000 0.434 194 L N 1.142 122.415 121.223 0.084 0.000 2.129 194 L HA -0.096 4.243 4.340 -0.001 0.000 0.212 194 L C 2.580 179.575 176.870 0.208 0.000 1.087 194 L CA 1.389 56.303 54.840 0.123 0.000 0.757 194 L CB -0.471 41.611 42.059 0.039 0.000 0.896 194 L HN 0.202 nan 8.230 nan 0.000 0.434 195 V N -1.435 118.616 119.914 0.227 0.000 2.871 195 V HA -0.237 3.882 4.120 -0.001 0.000 0.256 195 V C 2.123 178.293 176.094 0.127 0.000 1.082 195 V CA 1.282 63.712 62.300 0.216 0.000 1.105 195 V CB -0.329 31.617 31.823 0.204 0.000 0.713 195 V HN 0.486 nan 8.190 nan 0.000 0.473 196 H N -0.018 119.145 119.070 0.155 0.000 2.307 196 H HA 0.006 4.561 4.556 -0.001 0.000 0.303 196 H C 2.150 177.552 175.328 0.123 0.000 1.073 196 H CA 2.591 58.724 56.048 0.141 0.000 1.338 196 H CB -0.119 29.740 29.762 0.163 0.000 1.389 196 H HN 0.380 nan 8.280 nan 0.000 0.503 197 I N -0.308 120.423 120.570 0.268 0.000 2.142 197 I HA -0.262 3.908 4.170 -0.001 0.000 0.240 197 I C 1.971 178.186 176.117 0.163 0.000 1.078 197 I CA 1.129 62.564 61.300 0.224 0.000 1.343 197 I CB -0.130 38.017 38.000 0.245 0.000 1.046 197 I HN 0.104 nan 8.210 nan 0.000 0.405 198 V N 0.881 120.866 119.914 0.118 0.000 2.515 198 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 198 V C 2.605 178.675 176.094 -0.040 0.000 1.058 198 V CA 1.718 64.025 62.300 0.012 0.000 1.064 198 V CB -1.120 30.662 31.823 -0.068 0.000 0.675 198 V HN 0.490 nan 8.190 nan 0.000 0.461 199 A N 0.212 123.021 122.820 -0.019 0.000 1.969 199 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 199 A C 2.224 179.800 177.584 -0.013 0.000 1.169 199 A CA 2.053 54.065 52.037 -0.043 0.000 0.635 199 A CB -0.406 18.560 19.000 -0.057 0.000 0.810 199 A HN 0.463 nan 8.150 nan 0.000 0.445 200 K N -0.636 119.797 120.400 0.055 0.000 2.288 200 K HA 0.106 4.425 4.320 -0.001 0.000 0.201 200 K C 1.764 178.429 176.600 0.108 0.000 1.048 200 K CA 1.282 57.634 56.287 0.109 0.000 0.956 200 K CB -0.333 32.277 32.500 0.184 0.000 0.746 200 K HN 0.517 nan 8.250 nan 0.000 0.461 201 M N -1.048 118.577 119.600 0.041 0.000 2.160 201 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 201 M C 1.917 178.135 176.300 -0.137 0.000 1.073 201 M CA 1.143 56.370 55.300 -0.121 0.000 1.142 201 M CB -0.005 32.523 32.600 -0.120 0.000 1.358 201 M HN 0.088 nan 8.290 nan 0.000 0.422 202 C N 0.571 119.806 119.300 -0.109 0.000 2.522 202 C HA 0.063 4.523 4.460 -0.001 0.000 0.271 202 C C 0.968 175.897 174.990 -0.102 0.000 1.425 202 C CA -0.139 58.810 59.018 -0.115 0.000 1.751 202 C CB -2.039 25.621 27.740 -0.134 0.000 1.775 202 C HN 0.702 nan 8.230 nan 0.000 0.557 203 N N 0.786 119.431 118.700 -0.092 0.000 2.696 203 N HA -0.163 4.576 4.740 -0.001 0.000 0.256 203 N C -0.832 174.627 175.510 -0.085 0.000 1.031 203 N CA 0.155 53.153 53.050 -0.086 0.000 0.730 203 N CB -0.749 37.670 38.487 -0.114 0.000 0.894 203 N HN 0.552 nan 8.380 nan 0.000 0.544 204 L N 1.285 122.459 121.223 -0.083 0.000 2.301 204 L HA 0.586 4.926 4.340 -0.001 0.000 0.264 204 L C 0.480 177.290 176.870 -0.100 0.000 1.016 204 L CA -1.153 53.630 54.840 -0.096 0.000 0.821 204 L CB 1.463 43.475 42.059 -0.077 0.000 1.346 204 L HN 0.010 nan 8.230 nan 0.000 0.429 205 I N 3.315 123.792 120.570 -0.154 0.000 2.352 205 I HA 0.188 4.358 4.170 -0.001 0.000 0.290 205 I C -1.964 174.151 176.117 -0.004 0.000 1.036 205 I CA -2.499 58.716 61.300 -0.142 0.000 1.336 205 I CB 0.462 38.233 38.000 -0.383 0.000 1.407 205 I HN 0.181 nan 8.210 nan 0.000 0.497 206 P HA 0.029 nan 4.420 nan 0.000 0.262 206 P C 0.296 177.706 177.300 0.184 0.000 1.182 206 P CA 0.364 63.460 63.100 -0.007 0.000 0.761 206 P CB 1.047 32.568 31.700 -0.298 0.000 0.795 207 G N 3.153 112.076 108.800 0.205 0.000 3.345 207 G HA2 0.225 4.185 3.960 -0.001 0.000 0.202 207 G HA3 0.225 4.185 3.960 -0.001 0.000 0.202 207 G C -0.734 174.232 174.900 0.109 0.000 1.740 207 G CA -0.051 45.161 45.100 0.186 0.000 0.806 207 G HN 0.387 nan 8.290 nan 0.000 0.718 208 D N -0.497 119.958 120.400 0.093 0.000 2.272 208 D HA 0.595 5.234 4.640 -0.001 0.000 0.247 208 D C -1.005 175.411 176.300 0.192 0.000 0.990 208 D CA -0.280 53.790 54.000 0.117 0.000 0.931 208 D CB 2.468 43.300 40.800 0.054 0.000 1.195 208 D HN 0.169 nan 8.370 nan 0.000 0.477 209 L N 1.652 123.054 121.223 0.299 0.000 2.349 209 L HA 0.535 4.874 4.340 -0.001 0.000 0.278 209 L C -1.376 175.800 176.870 0.509 0.000 0.996 209 L CA -0.276 54.818 54.840 0.422 0.000 0.825 209 L CB 0.800 43.139 42.059 0.468 0.000 1.243 209 L HN 0.346 nan 8.230 nan 0.000 0.412 210 I N 4.492 125.261 120.570 0.332 0.000 2.646 210 I HA 0.495 4.664 4.170 -0.001 0.000 0.299 210 I C -1.244 174.929 176.117 0.093 0.000 1.036 210 I CA -0.773 60.612 61.300 0.141 0.000 1.074 210 I CB 2.029 40.037 38.000 0.013 0.000 1.258 210 I HN 0.562 nan 8.210 nan 0.000 0.430 211 F N 3.831 123.618 119.950 -0.271 0.000 2.539 211 F HA 0.622 5.149 4.527 -0.001 0.000 0.318 211 F C -1.027 174.430 175.800 -0.572 0.000 1.135 211 F CA -0.347 57.220 58.000 -0.722 0.000 0.915 211 F CB 1.826 40.368 39.000 -0.763 0.000 1.176 211 F HN 0.342 nan 8.300 nan 0.000 0.440 212 S N 3.516 118.500 115.700 -1.193 0.000 2.475 212 S HA 0.803 5.272 4.470 -0.001 0.000 0.298 212 S C -0.044 173.566 174.600 -1.650 0.000 1.119 212 S CA -0.528 56.995 58.200 -1.128 0.000 1.085 212 S CB 1.458 64.326 63.200 -0.553 0.000 1.028 212 S HN 1.051 nan 8.310 nan 0.000 0.489 213 G N 0.809 108.767 108.800 -1.404 0.000 2.448 213 G HA2 0.626 4.586 3.960 -0.001 0.000 0.324 213 G HA3 0.626 4.586 3.960 -0.001 0.000 0.324 213 G C 0.299 174.713 174.900 -0.810 0.000 1.203 213 G CA -0.625 43.831 45.100 -1.075 0.000 0.954 213 G HN 0.764 nan 8.290 nan 0.000 0.480 214 G N -0.023 108.458 108.800 -0.533 0.000 3.223 214 G HA2 0.132 4.092 3.960 -0.001 0.000 0.198 214 G HA3 0.132 4.092 3.960 -0.001 0.000 0.198 214 G C 0.214 175.167 174.900 0.089 0.000 1.980 214 G CA -0.414 44.567 45.100 -0.198 0.000 0.828 214 G HN 0.636 nan 8.290 nan 0.000 0.680 215 N N 0.856 119.691 118.700 0.225 0.000 2.663 215 N HA 0.317 5.056 4.740 -0.001 0.000 0.250 215 N C -0.687 174.839 175.510 0.028 0.000 1.129 215 N CA -0.096 53.083 53.050 0.214 0.000 0.995 215 N CB 0.282 38.915 38.487 0.243 0.000 1.324 215 N HN 0.097 nan 8.380 nan 0.000 0.512 216 T N 3.200 117.770 114.554 0.027 0.000 2.752 216 T HA 0.088 4.438 4.350 -0.001 0.000 0.295 216 T C -0.520 174.225 174.700 0.076 0.000 0.923 216 T CA 0.195 62.294 62.100 -0.000 0.000 1.112 216 T CB -0.151 68.748 68.868 0.051 0.000 0.884 216 T HN 0.589 nan 8.240 nan 0.000 0.525 217 H N 1.129 120.224 119.070 0.041 0.000 2.961 217 H HA 0.716 5.272 4.556 -0.001 0.000 0.371 217 H C -1.317 173.969 175.328 -0.071 0.000 1.190 217 H CA -1.654 54.382 56.048 -0.021 0.000 1.138 217 H CB 0.624 30.343 29.762 -0.072 0.000 1.816 217 H HN 0.441 nan 8.280 nan 0.000 0.551 218 I N 2.397 123.037 120.570 0.116 0.000 2.465 218 I HA 0.240 4.410 4.170 -0.001 0.000 0.291 218 I C -0.798 175.341 176.117 0.037 0.000 1.014 218 I CA -1.003 60.348 61.300 0.085 0.000 1.093 218 I CB 1.211 39.252 38.000 0.069 0.000 1.267 218 I HN 0.469 nan 8.210 nan 0.000 0.431 219 Y N 4.718 125.190 120.300 0.286 0.000 2.301 219 Y HA 0.225 4.775 4.550 -0.001 0.000 0.328 219 Y C 1.084 177.083 175.900 0.165 0.000 1.242 219 Y CA -0.443 57.770 58.100 0.188 0.000 1.323 219 Y CB 0.852 39.427 38.460 0.192 0.000 1.266 219 Y HN 0.515 nan 8.280 nan 0.000 0.527 220 M N 2.099 121.868 119.600 0.282 0.000 2.814 220 M HA -0.009 4.470 4.480 -0.001 0.000 0.203 220 M C -0.055 176.356 176.300 0.185 0.000 1.193 220 M CA 0.377 55.779 55.300 0.171 0.000 1.040 220 M CB -0.718 31.953 32.600 0.117 0.000 1.796 220 M HN 0.495 nan 8.290 nan 0.000 0.454 221 N N 0.807 119.677 118.700 0.284 0.000 3.259 221 N HA 0.030 4.770 4.740 -0.001 0.000 0.308 221 N C -0.511 175.205 175.510 0.343 0.000 1.334 221 N CA 0.062 53.290 53.050 0.297 0.000 1.202 221 N CB -0.767 37.911 38.487 0.318 0.000 1.485 221 N HN 0.358 nan 8.380 nan 0.000 0.549 222 H N -2.058 117.090 119.070 0.130 0.000 2.794 222 H HA -0.164 4.392 4.556 -0.001 0.000 0.334 222 H C -0.107 175.277 175.328 0.093 0.000 1.154 222 H CA 0.138 56.238 56.048 0.087 0.000 1.129 222 H CB -1.647 28.165 29.762 0.083 0.000 1.600 222 H HN 0.069 nan 8.280 nan 0.000 0.410 223 V N 1.612 121.435 119.914 -0.153 0.000 2.764 223 V HA -0.241 3.879 4.120 -0.001 0.000 0.261 223 V C 1.440 177.341 176.094 -0.323 0.000 1.108 223 V CA 2.277 64.391 62.300 -0.311 0.000 1.129 223 V CB -0.505 31.144 31.823 -0.290 0.000 0.701 223 V HN 0.741 nan 8.190 nan 0.000 0.495 224 E N 0.843 120.868 120.200 -0.291 0.000 1.791 224 E HA 0.191 4.541 4.350 -0.001 0.000 0.263 224 E C 0.992 177.471 176.600 -0.202 0.000 1.213 224 E CA 0.198 56.484 56.400 -0.190 0.000 0.991 224 E CB -0.019 29.632 29.700 -0.083 0.000 1.068 224 E HN 0.665 nan 8.360 nan 0.000 0.417 225 Q N 0.737 120.460 119.800 -0.128 0.000 4.203 225 Q HA -0.128 4.212 4.340 -0.001 0.000 0.220 225 Q C 1.295 177.302 176.000 0.011 0.000 0.838 225 Q CA 0.175 55.972 55.803 -0.011 0.000 0.641 225 Q CB -1.094 27.674 28.738 0.050 0.000 0.919 225 Q HN 0.514 nan 8.270 nan 0.000 0.533 226 C N 2.183 121.420 119.300 -0.106 0.000 2.476 226 C HA 0.127 4.587 4.460 -0.001 0.000 0.278 226 C C 2.418 177.331 174.990 -0.128 0.000 1.274 226 C CA 1.599 60.501 59.018 -0.192 0.000 1.713 226 C CB -0.774 26.563 27.740 -0.672 0.000 2.039 226 C HN 0.558 nan 8.230 nan 0.000 0.484 227 K N 0.399 120.720 120.400 -0.131 0.000 2.097 227 K HA -0.228 4.091 4.320 -0.001 0.000 0.214 227 K C 1.743 178.329 176.600 -0.024 0.000 1.052 227 K CA 2.174 58.432 56.287 -0.048 0.000 0.932 227 K CB -0.379 32.083 32.500 -0.063 0.000 0.716 227 K HN 0.589 nan 8.250 nan 0.000 0.455 228 E N 0.552 120.738 120.200 -0.023 0.000 2.233 228 E HA -0.195 4.155 4.350 -0.001 0.000 0.199 228 E C 1.543 178.134 176.600 -0.015 0.000 1.004 228 E CA 0.882 57.279 56.400 -0.004 0.000 0.819 228 E CB -0.240 29.469 29.700 0.016 0.000 0.738 228 E HN 0.376 nan 8.360 nan 0.000 0.478 229 I N 1.672 122.216 120.570 -0.042 0.000 3.605 229 I HA 0.019 4.188 4.170 -0.001 0.000 0.301 229 I C 1.408 177.464 176.117 -0.101 0.000 1.267 229 I CA 0.104 61.356 61.300 -0.081 0.000 1.236 229 I CB -1.917 36.013 38.000 -0.117 0.000 1.010 229 I HN 0.030 nan 8.210 nan 0.000 0.491 230 L N -0.024 121.161 121.223 -0.064 0.000 2.488 230 L HA 0.452 4.791 4.340 -0.001 0.000 0.249 230 L C 1.298 178.147 176.870 -0.036 0.000 1.151 230 L CA -0.591 54.214 54.840 -0.059 0.000 0.806 230 L CB 0.421 42.466 42.059 -0.023 0.000 1.261 230 L HN 0.063 nan 8.230 nan 0.000 0.484 231 R N -1.260 119.222 120.500 -0.030 0.000 4.024 231 R HA -0.215 4.125 4.340 -0.001 0.000 0.372 231 R C -0.291 176.008 176.300 -0.002 0.000 1.192 231 R CA 1.772 57.864 56.100 -0.013 0.000 1.183 231 R CB -1.381 28.918 30.300 -0.002 0.000 1.672 231 R HN 0.721 nan 8.270 nan 0.000 0.571 232 R N 1.227 121.726 120.500 -0.002 0.000 2.459 232 R HA 0.262 4.601 4.340 -0.001 0.000 0.281 232 R C -0.443 175.870 176.300 0.020 0.000 1.050 232 R CA -0.591 55.520 56.100 0.018 0.000 1.055 232 R CB 0.614 30.930 30.300 0.027 0.000 1.045 232 R HN -0.016 nan 8.270 nan 0.000 0.495 233 E N 2.537 122.757 120.200 0.034 0.000 2.028 233 E HA 0.216 4.565 4.350 -0.001 0.000 0.266 233 E C -2.338 174.293 176.600 0.052 0.000 0.962 233 E CA -1.823 54.599 56.400 0.036 0.000 0.784 233 E CB 0.859 30.578 29.700 0.031 0.000 1.114 233 E HN 0.291 nan 8.360 nan 0.000 0.414 234 P HA -0.101 nan 4.420 nan 0.000 0.262 234 P C 0.227 177.569 177.300 0.069 0.000 1.182 234 P CA 0.166 63.311 63.100 0.075 0.000 0.761 234 P CB 0.742 32.491 31.700 0.081 0.000 0.795 235 K N 2.877 123.321 120.400 0.073 0.000 2.431 235 K HA 0.081 4.401 4.320 -0.001 0.000 0.213 235 K C 0.374 177.014 176.600 0.066 0.000 1.258 235 K CA 0.691 57.014 56.287 0.061 0.000 0.845 235 K CB -0.085 32.446 32.500 0.051 0.000 1.498 235 K HN 0.431 nan 8.250 nan 0.000 0.451 236 E N 2.687 122.929 120.200 0.070 0.000 2.028 236 E HA 0.264 4.613 4.350 -0.001 0.000 0.266 236 E C -0.916 175.741 176.600 0.094 0.000 0.962 236 E CA -0.746 55.697 56.400 0.071 0.000 0.784 236 E CB 0.186 29.919 29.700 0.056 0.000 1.114 236 E HN 0.233 nan 8.360 nan 0.000 0.414 237 L N 2.067 123.350 121.223 0.101 0.000 2.344 237 L HA 0.505 4.844 4.340 -0.001 0.000 0.272 237 L C -0.175 176.769 176.870 0.123 0.000 1.035 237 L CA -1.421 53.496 54.840 0.129 0.000 0.807 237 L CB 0.091 42.232 42.059 0.138 0.000 1.237 237 L HN 0.336 nan 8.230 nan 0.000 0.442 238 C N 1.014 120.406 119.300 0.153 0.000 2.611 238 C HA 0.180 4.639 4.460 -0.001 0.000 0.416 238 C C 1.012 176.024 174.990 0.036 0.000 1.366 238 C CA -0.278 58.787 59.018 0.080 0.000 1.761 238 C CB -1.358 26.427 27.740 0.074 0.000 2.619 238 C HN 0.909 nan 8.230 nan 0.000 0.606 239 E N 1.981 122.137 120.200 -0.073 0.000 2.349 239 E HA 0.500 4.850 4.350 -0.001 0.000 0.262 239 E C -0.335 176.092 176.600 -0.288 0.000 1.088 239 E CA -0.531 55.810 56.400 -0.098 0.000 0.899 239 E CB 0.534 30.184 29.700 -0.083 0.000 1.044 239 E HN 0.724 nan 8.360 nan 0.000 0.420 240 L N 1.947 123.012 121.223 -0.263 0.000 2.839 240 L HA 0.409 4.748 4.340 -0.001 0.000 0.259 240 L C -0.674 175.993 176.870 -0.339 0.000 1.369 240 L CA -1.006 53.538 54.840 -0.493 0.000 0.845 240 L CB 0.172 42.017 42.059 -0.356 0.000 1.181 240 L HN 0.157 nan 8.230 nan 0.000 0.529 241 V N -1.190 118.563 119.914 -0.268 0.000 2.394 241 V HA 0.607 4.727 4.120 -0.001 0.000 0.282 241 V C 0.155 176.140 176.094 -0.182 0.000 1.031 241 V CA -0.432 61.762 62.300 -0.177 0.000 0.881 241 V CB 1.837 33.574 31.823 -0.142 0.000 0.982 241 V HN 0.403 nan 8.190 nan 0.000 0.451 242 I N 3.881 124.323 120.570 -0.213 0.000 2.498 242 I HA 0.648 4.818 4.170 -0.001 0.000 0.301 242 I C 0.486 176.400 176.117 -0.339 0.000 0.984 242 I CA 0.131 61.202 61.300 -0.382 0.000 1.204 242 I CB 1.948 39.685 38.000 -0.437 0.000 1.362 242 I HN 0.836 nan 8.210 nan 0.000 0.471 243 S N 1.860 117.326 115.700 -0.390 0.000 2.697 243 S HA 0.741 5.210 4.470 -0.001 0.000 0.289 243 S C 0.439 174.874 174.600 -0.275 0.000 1.149 243 S CA 0.257 58.292 58.200 -0.276 0.000 0.850 243 S CB 1.676 64.765 63.200 -0.186 0.000 1.151 243 S HN 1.058 nan 8.310 nan 0.000 0.491 244 G N 0.591 109.274 108.800 -0.195 0.000 2.225 244 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.254 244 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.254 244 G C 0.119 174.916 174.900 -0.171 0.000 0.988 244 G CA 0.397 45.414 45.100 -0.139 0.000 0.625 244 G HN 1.314 nan 8.290 nan 0.000 0.527 245 L N 0.198 121.237 121.223 -0.306 0.000 2.319 245 L HA 0.706 5.046 4.340 -0.001 0.000 0.280 245 L C -1.565 175.087 176.870 -0.364 0.000 1.099 245 L CA -1.894 52.664 54.840 -0.470 0.000 0.828 245 L CB 0.592 42.060 42.059 -0.985 0.000 1.150 245 L HN 0.001 nan 8.230 nan 0.000 0.442 246 P HA -0.049 nan 4.420 nan 0.000 0.271 246 P C 0.358 177.657 177.300 -0.002 0.000 1.220 246 P CA -0.160 62.833 63.100 -0.177 0.000 0.768 246 P CB 0.789 32.301 31.700 -0.313 0.000 0.848 247 Y N 5.339 125.593 120.300 -0.077 0.000 2.170 247 Y HA -0.352 4.197 4.550 -0.001 0.000 0.274 247 Y C 2.148 178.094 175.900 0.077 0.000 1.253 247 Y CA 2.740 60.837 58.100 -0.004 0.000 1.133 247 Y CB -0.834 37.630 38.460 0.006 0.000 0.941 247 Y HN 0.485 nan 8.280 nan 0.000 0.518 248 K N -1.337 119.116 120.400 0.087 0.000 2.152 248 K HA -0.276 4.044 4.320 -0.001 0.000 0.206 248 K C 2.001 178.683 176.600 0.137 0.000 1.048 248 K CA 1.507 57.853 56.287 0.100 0.000 0.933 248 K CB -1.273 31.265 32.500 0.063 0.000 0.721 248 K HN 0.230 nan 8.250 nan 0.000 0.447 249 F N 3.384 123.278 119.950 -0.094 0.000 2.115 249 F HA -0.396 4.130 4.527 -0.001 0.000 0.279 249 F C 2.257 177.958 175.800 -0.165 0.000 1.092 249 F CA 2.859 60.782 58.000 -0.129 0.000 1.346 249 F CB -0.447 38.474 39.000 -0.132 0.000 0.919 249 F HN 0.166 nan 8.300 nan 0.000 0.505 250 R N -1.272 119.069 120.500 -0.264 0.000 2.339 250 R HA -0.111 4.229 4.340 -0.001 0.000 0.199 250 R C 0.908 176.883 176.300 -0.542 0.000 1.018 250 R CA 1.487 57.308 56.100 -0.465 0.000 1.036 250 R CB -0.827 29.194 30.300 -0.465 0.000 0.899 250 R HN 0.464 nan 8.270 nan 0.000 0.473 251 Y N 0.450 120.680 120.300 -0.117 0.000 2.444 251 Y HA 0.349 4.899 4.550 -0.001 0.000 0.249 251 Y C 0.742 176.574 175.900 -0.112 0.000 1.134 251 Y CA -0.770 57.267 58.100 -0.104 0.000 1.261 251 Y CB 0.422 38.827 38.460 -0.091 0.000 1.143 251 Y HN -0.112 nan 8.280 nan 0.000 0.523 252 L N 1.317 122.503 121.223 -0.062 0.000 2.452 252 L HA 0.148 4.488 4.340 -0.001 0.000 0.267 252 L C 0.779 177.600 176.870 -0.082 0.000 1.188 252 L CA -0.494 54.311 54.840 -0.058 0.000 0.821 252 L CB 0.586 42.590 42.059 -0.092 0.000 1.102 252 L HN 0.169 nan 8.230 nan 0.000 0.470 253 S N 0.093 115.771 115.700 -0.038 0.000 2.549 253 S HA 0.002 4.471 4.470 -0.001 0.000 0.286 253 S C 1.193 175.758 174.600 -0.058 0.000 1.314 253 S CA -0.472 57.705 58.200 -0.038 0.000 1.062 253 S CB 0.996 64.188 63.200 -0.013 0.000 0.865 253 S HN 0.694 nan 8.310 nan 0.000 0.498 254 T N 3.395 117.912 114.554 -0.062 0.000 2.684 254 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 254 T C 1.489 176.172 174.700 -0.029 0.000 1.032 254 T CA 2.312 64.375 62.100 -0.061 0.000 1.155 254 T CB -0.502 68.339 68.868 -0.044 0.000 0.857 254 T HN 0.793 nan 8.240 nan 0.000 0.457 255 K N 0.908 121.301 120.400 -0.011 0.000 2.211 255 K HA 0.008 4.327 4.320 -0.001 0.000 0.203 255 K C 2.218 178.830 176.600 0.020 0.000 1.050 255 K CA 0.867 57.159 56.287 0.009 0.000 0.945 255 K CB -0.073 32.433 32.500 0.010 0.000 0.732 255 K HN 0.189 nan 8.250 nan 0.000 0.451 256 E N 1.107 121.317 120.200 0.018 0.000 2.299 256 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 256 E C 1.630 178.286 176.600 0.094 0.000 0.998 256 E CA 0.966 57.399 56.400 0.054 0.000 0.851 256 E CB 0.147 29.879 29.700 0.052 0.000 0.795 256 E HN 0.322 nan 8.360 nan 0.000 0.492 257 Q N -0.305 119.489 119.800 -0.011 0.000 2.083 257 Q HA -0.015 4.324 4.340 -0.001 0.000 0.198 257 Q C 2.182 178.243 176.000 0.102 0.000 0.969 257 Q CA 0.925 56.663 55.803 -0.108 0.000 0.838 257 Q CB 0.007 28.529 28.738 -0.360 0.000 0.900 257 Q HN 0.307 nan 8.270 nan 0.000 0.436 258 L N 0.776 122.053 121.223 0.091 0.000 2.093 258 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 258 L C 2.506 179.466 176.870 0.149 0.000 1.085 258 L CA 1.057 55.982 54.840 0.141 0.000 0.755 258 L CB -0.232 41.891 42.059 0.108 0.000 0.904 258 L HN 0.185 nan 8.230 nan 0.000 0.435 259 K N -0.650 119.813 120.400 0.105 0.000 2.044 259 K HA -0.272 4.048 4.320 -0.001 0.000 0.210 259 K C 2.115 178.718 176.600 0.005 0.000 1.049 259 K CA 1.947 58.254 56.287 0.034 0.000 0.927 259 K CB -0.267 32.227 32.500 -0.011 0.000 0.713 259 K HN 0.095 nan 8.250 nan 0.000 0.443 260 Y N 0.293 120.678 120.300 0.142 0.000 2.163 260 Y HA -0.222 4.327 4.550 -0.001 0.000 0.288 260 Y C 2.218 178.223 175.900 0.175 0.000 1.136 260 Y CA 1.132 59.337 58.100 0.176 0.000 1.147 260 Y CB -0.475 38.159 38.460 0.289 0.000 0.987 260 Y HN -0.143 nan 8.280 nan 0.000 0.509 261 V N -0.115 120.031 119.914 0.387 0.000 2.218 261 V HA -0.383 3.737 4.120 -0.001 0.000 0.251 261 V C 2.306 178.527 176.094 0.212 0.000 1.057 261 V CA 2.110 64.583 62.300 0.289 0.000 1.022 261 V CB -1.020 30.976 31.823 0.289 0.000 0.645 261 V HN 0.304 nan 8.190 nan 0.000 0.451 262 L N -0.329 120.996 121.223 0.171 0.000 2.270 262 L HA -0.218 4.121 4.340 -0.001 0.000 0.217 262 L C 2.230 179.160 176.870 0.101 0.000 1.107 262 L CA 1.788 56.705 54.840 0.128 0.000 0.772 262 L CB -0.913 41.203 42.059 0.095 0.000 0.902 262 L HN 0.353 nan 8.230 nan 0.000 0.439 263 K N -1.034 119.419 120.400 0.088 0.000 2.504 263 K HA -0.011 4.309 4.320 -0.001 0.000 0.195 263 K C -0.164 176.491 176.600 0.092 0.000 1.036 263 K CA 0.028 56.353 56.287 0.063 0.000 0.984 263 K CB 0.059 32.578 32.500 0.032 0.000 0.788 263 K HN 0.053 nan 8.250 nan 0.000 0.488 264 L N 2.109 123.409 121.223 0.128 0.000 2.260 264 L HA 0.179 4.518 4.340 -0.001 0.000 0.289 264 L C 0.521 177.503 176.870 0.187 0.000 1.057 264 L CA 0.036 54.959 54.840 0.138 0.000 0.811 264 L CB 0.687 42.813 42.059 0.111 0.000 1.184 264 L HN -0.043 nan 8.230 nan 0.000 0.429 265 R N 5.380 125.958 120.500 0.131 0.000 2.580 265 R HA 0.303 4.642 4.340 -0.001 0.000 0.267 265 R C -1.380 175.001 176.300 0.134 0.000 1.125 265 R CA -1.694 54.460 56.100 0.090 0.000 1.188 265 R CB -0.071 30.259 30.300 0.050 0.000 1.155 265 R HN 0.321 nan 8.270 nan 0.000 0.586 266 P HA -0.123 nan 4.420 nan 0.000 0.230 266 P C 0.764 178.160 177.300 0.161 0.000 1.158 266 P CA 1.011 64.103 63.100 -0.012 0.000 0.769 266 P CB 0.199 31.760 31.700 -0.232 0.000 0.807 267 K N 0.447 120.930 120.400 0.139 0.000 2.147 267 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 267 K C 0.944 177.639 176.600 0.159 0.000 1.049 267 K CA 1.345 57.714 56.287 0.137 0.000 0.936 267 K CB -1.191 31.357 32.500 0.080 0.000 0.722 267 K HN 0.069 nan 8.250 nan 0.000 0.446 268 D N 0.230 120.730 120.400 0.167 0.000 2.392 268 D HA 0.009 4.648 4.640 -0.001 0.000 0.228 268 D C -0.566 175.637 176.300 -0.161 0.000 1.003 268 D CA 0.567 54.551 54.000 -0.027 0.000 0.917 268 D CB -0.135 40.562 40.800 -0.172 0.000 0.890 268 D HN 0.112 nan 8.370 nan 0.000 0.532 269 F N -0.246 119.728 119.950 0.041 0.000 2.518 269 F HA 0.429 4.955 4.527 -0.001 0.000 0.323 269 F C 0.144 176.064 175.800 0.200 0.000 1.129 269 F CA -0.970 57.084 58.000 0.091 0.000 0.920 269 F CB 1.996 41.047 39.000 0.085 0.000 1.160 269 F HN -0.414 nan 8.300 nan 0.000 0.440 270 V N 4.569 124.545 119.914 0.103 0.000 3.147 270 V HA 0.636 4.756 4.120 -0.001 0.000 0.306 270 V C -1.696 174.180 176.094 -0.365 0.000 1.209 270 V CA -0.870 61.359 62.300 -0.117 0.000 1.023 270 V CB 2.836 34.630 31.823 -0.048 0.000 1.059 270 V HN 0.592 nan 8.190 nan 0.000 0.435 271 L N 4.252 125.156 121.223 -0.533 0.000 2.362 271 L HA 0.587 4.926 4.340 -0.001 0.000 0.275 271 L C -0.111 176.583 176.870 -0.295 0.000 0.998 271 L CA -0.528 53.966 54.840 -0.577 0.000 0.820 271 L CB 1.790 43.216 42.059 -1.054 0.000 1.270 271 L HN 0.692 nan 8.230 nan 0.000 0.415 272 N N 2.855 121.446 118.700 -0.183 0.000 2.518 272 N HA 0.056 4.795 4.740 -0.001 0.000 0.283 272 N C -0.110 175.400 175.510 0.001 0.000 1.119 272 N CA -0.408 52.599 53.050 -0.071 0.000 0.983 272 N CB 0.724 39.177 38.487 -0.056 0.000 1.139 272 N HN 0.610 nan 8.380 nan 0.000 0.465 273 N N 2.215 120.937 118.700 0.037 0.000 2.745 273 N HA -0.291 4.448 4.740 -0.001 0.000 0.271 273 N C -0.989 174.585 175.510 0.106 0.000 0.960 273 N CA 0.830 53.916 53.050 0.060 0.000 0.833 273 N CB -1.391 37.113 38.487 0.028 0.000 0.919 273 N HN 0.485 nan 8.380 nan 0.000 0.566 274 Y N -0.273 119.998 120.300 -0.049 0.000 2.436 274 Y HA 0.312 4.861 4.550 -0.001 0.000 0.336 274 Y C 0.337 176.231 175.900 -0.010 0.000 1.049 274 Y CA -0.938 57.138 58.100 -0.040 0.000 1.294 274 Y CB 0.657 39.054 38.460 -0.104 0.000 1.179 274 Y HN 0.065 nan 8.280 nan 0.000 0.520 275 V N 5.955 125.905 119.914 0.061 0.000 2.800 275 V HA -0.186 3.933 4.120 -0.001 0.000 0.299 275 V C 0.767 176.783 176.094 -0.130 0.000 1.151 275 V CA 1.109 63.414 62.300 0.008 0.000 1.297 275 V CB -0.719 31.180 31.823 0.126 0.000 0.835 275 V HN 0.895 nan 8.190 nan 0.000 0.484 276 S N 3.569 119.192 115.700 -0.128 0.000 2.654 276 S HA 0.711 5.180 4.470 -0.001 0.000 0.283 276 S C -0.657 173.836 174.600 -0.179 0.000 1.180 276 S CA -0.445 57.651 58.200 -0.172 0.000 1.021 276 S CB 0.677 63.774 63.200 -0.172 0.000 1.018 276 S HN 0.883 nan 8.310 nan 0.000 0.532 277 H N 0.668 119.676 119.070 -0.103 0.000 3.094 277 H HA 0.397 4.953 4.556 -0.001 0.000 0.346 277 H C -2.416 172.886 175.328 -0.044 0.000 1.238 277 H CA -0.790 55.227 56.048 -0.052 0.000 1.209 277 H CB 1.327 31.071 29.762 -0.030 0.000 1.911 277 H HN 0.456 nan 8.280 nan 0.000 0.540 278 P HA 0.202 nan 4.420 nan 0.000 0.273 278 P C -2.694 174.645 177.300 0.064 0.000 1.250 278 P CA -1.475 61.649 63.100 0.040 0.000 0.793 278 P CB 0.263 31.979 31.700 0.026 0.000 1.011 279 P HA 0.352 nan 4.420 nan 0.000 0.301 279 P C -0.115 177.217 177.300 0.053 0.000 1.385 279 P CA -0.373 62.761 63.100 0.056 0.000 0.902 279 P CB 0.853 32.584 31.700 0.051 0.000 0.965 280 I N 1.425 122.032 120.570 0.062 0.000 3.932 280 I HA 0.714 4.884 4.170 -0.001 0.000 0.256 280 I C 1.078 177.227 176.117 0.054 0.000 1.408 280 I CA -0.729 60.608 61.300 0.060 0.000 0.882 280 I CB -0.280 37.765 38.000 0.076 0.000 1.657 280 I HN 0.281 nan 8.210 nan 0.000 0.733 281 K N -0.442 119.988 120.400 0.051 0.000 2.250 281 K HA 0.757 5.077 4.320 -0.001 0.000 0.261 281 K C -0.272 176.343 176.600 0.025 0.000 1.047 281 K CA -0.424 55.883 56.287 0.033 0.000 0.884 281 K CB 0.745 33.260 32.500 0.026 0.000 1.476 281 K HN 1.618 nan 8.250 nan 0.000 0.445 282 G N 0.548 109.346 108.800 -0.002 0.000 3.367 282 G HA2 0.275 4.235 3.960 -0.001 0.000 0.686 282 G HA3 0.275 4.235 3.960 -0.001 0.000 0.686 282 G C -0.722 174.121 174.900 -0.095 0.000 1.146 282 G CA 0.080 45.162 45.100 -0.030 0.000 0.913 282 G HN 0.749 nan 8.290 nan 0.000 0.554 283 K N 1.221 121.558 120.400 -0.104 0.000 2.548 283 K HA 0.833 5.152 4.320 -0.001 0.000 0.282 283 K C -1.148 175.379 176.600 -0.122 0.000 1.006 283 K CA -1.213 54.998 56.287 -0.125 0.000 0.892 283 K CB 1.735 34.185 32.500 -0.082 0.000 1.499 283 K HN 0.616 nan 8.250 nan 0.000 0.433 284 M N 1.997 121.527 119.600 -0.117 0.000 2.325 284 M HA 0.374 4.854 4.480 -0.001 0.000 0.285 284 M C -1.787 174.460 176.300 -0.089 0.000 1.119 284 M CA -0.340 54.887 55.300 -0.121 0.000 0.959 284 M CB 1.848 34.335 32.600 -0.188 0.000 1.737 284 M HN 0.757 nan 8.290 nan 0.000 0.486 285 A N 4.682 127.452 122.820 -0.084 0.000 2.451 285 A HA 0.584 4.903 4.320 -0.001 0.000 0.266 285 A C -0.339 177.222 177.584 -0.039 0.000 1.119 285 A CA -0.254 51.741 52.037 -0.070 0.000 0.786 285 A CB 0.051 19.012 19.000 -0.066 0.000 1.061 285 A HN 0.625 nan 8.150 nan 0.000 0.503 286 V N 0.000 119.893 119.914 -0.036 0.000 2.409 286 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 286 V CA 0.000 62.307 62.300 0.011 0.000 1.235 286 V CB 0.000 31.861 31.823 0.064 0.000 1.184 286 V HN 0.000 nan 8.190 nan 0.000 0.556