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 1a5d_1_B DATA FIRST_RESID 1 DATA SEQUENCE GKITFYEDRG FQGRHYECST DHSNLQPYFS RCNSVRVDSG CWMLYEQPNF DATA SEQUENCE TGCQYFLRRG DYPDYQQWMG FSDSVRSCRL IPHSSXSHRI RIYEREDYRG DATA SEQUENCE QMVEITDDCP HLQDRFHFSD FHSFHVMEGY WVLYEMPNYR GRQYLLRPGE DATA SEQUENCE YRRYHDWGAM NARVGSLRRI MDFY 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1 G C 0.000 175.090 174.900 0.317 0.000 0.946 1 G CA 0.000 45.168 45.100 0.113 0.000 0.502 2 K N 1.070 121.685 120.400 0.358 0.000 2.543 2 K HA 0.719 5.040 4.320 0.002 0.000 0.255 2 K C -1.854 174.682 176.600 -0.107 0.000 0.934 2 K CA -0.852 55.520 56.287 0.141 0.000 0.810 2 K CB 2.526 35.026 32.500 0.001 0.000 1.315 2 K HN 0.644 nan 8.250 nan 0.000 0.433 3 I N 1.753 122.012 120.570 -0.519 0.000 2.802 3 I HA 0.459 4.630 4.170 0.002 0.000 0.298 3 I C -1.555 173.969 176.117 -0.989 0.000 1.176 3 I CA -0.386 60.358 61.300 -0.926 0.000 1.025 3 I CB 2.699 39.662 38.000 -1.728 0.000 1.243 3 I HN 0.623 nan 8.210 nan 0.000 0.424 4 T N 6.358 120.345 114.554 -0.944 0.000 2.841 4 T HA 0.545 4.896 4.350 0.002 0.000 0.285 4 T C -0.972 173.148 174.700 -0.966 0.000 0.991 4 T CA -0.189 61.392 62.100 -0.864 0.000 0.966 4 T CB 0.727 69.237 68.868 -0.597 0.000 0.962 4 T HN 0.237 nan 8.240 nan 0.000 0.438 5 F N 2.217 121.831 119.950 -0.560 0.000 2.421 5 F HA 0.620 5.149 4.527 0.002 0.000 0.337 5 F C -0.239 175.148 175.800 -0.688 0.000 1.105 5 F CA -1.065 56.559 58.000 -0.627 0.000 1.049 5 F CB 0.861 39.266 39.000 -0.991 0.000 1.139 5 F HN 0.471 nan 8.300 nan 0.000 0.479 6 Y N 0.926 121.206 120.300 -0.032 0.000 2.429 6 Y HA 0.293 4.845 4.550 0.002 0.000 0.342 6 Y C 1.115 177.020 175.900 0.008 0.000 1.004 6 Y CA -0.859 57.269 58.100 0.047 0.000 1.075 6 Y CB 1.519 40.048 38.460 0.114 0.000 1.214 6 Y HN 0.647 nan 8.280 nan 0.000 0.455 7 E N 0.765 121.080 120.200 0.191 0.000 2.046 7 E HA -0.091 4.261 4.350 0.002 0.000 0.190 7 E C -0.480 176.212 176.600 0.152 0.000 0.982 7 E CA 1.003 57.498 56.400 0.158 0.000 0.800 7 E CB 0.216 30.012 29.700 0.160 0.000 0.756 7 E HN 0.638 nan 8.360 nan 0.000 0.449 8 D N 0.114 120.602 120.400 0.147 0.000 2.332 8 D HA 0.126 4.768 4.640 0.002 0.000 0.252 8 D C 0.149 176.471 176.300 0.036 0.000 1.050 8 D CA -0.375 53.676 54.000 0.085 0.000 0.970 8 D CB 0.844 41.681 40.800 0.062 0.000 1.141 8 D HN 0.054 nan 8.370 nan 0.000 0.485 9 R N -0.930 119.551 120.500 -0.031 0.000 2.738 9 R HA 0.459 4.800 4.340 0.002 0.000 0.275 9 R C 0.964 177.089 176.300 -0.293 0.000 1.121 9 R CA -0.083 55.925 56.100 -0.152 0.000 1.207 9 R CB -0.194 30.020 30.300 -0.143 0.000 1.141 9 R HN 0.493 nan 8.270 nan 0.000 0.571 10 G N -0.393 108.078 108.800 -0.547 0.000 2.203 10 G HA2 -0.296 3.666 3.960 0.002 0.000 0.263 10 G HA3 -0.296 3.666 3.960 0.002 0.000 0.263 10 G C -0.022 174.476 174.900 -0.669 0.000 1.012 10 G CA 0.222 44.942 45.100 -0.634 0.000 0.749 10 G HN 0.762 nan 8.290 nan 0.000 0.512 11 F N -2.589 117.152 119.950 -0.349 0.000 3.056 11 F HA -0.165 4.363 4.527 0.002 0.000 0.301 11 F C 0.764 176.195 175.800 -0.614 0.000 0.907 11 F CA 1.061 58.494 58.000 -0.945 0.000 1.113 11 F CB -2.110 36.362 39.000 -0.879 0.000 1.123 11 F HN 0.455 nan 8.300 nan 0.000 0.661 12 Q N 0.163 119.874 119.800 -0.148 0.000 2.486 12 Q HA 0.837 5.178 4.340 0.002 0.000 0.274 12 Q C 1.023 177.161 176.000 0.230 0.000 1.076 12 Q CA -0.047 55.795 55.803 0.065 0.000 0.872 12 Q CB 1.533 30.286 28.738 0.025 0.000 1.383 12 Q HN 0.654 nan 8.270 nan 0.000 0.478 13 G N 0.933 109.855 108.800 0.203 0.000 2.698 13 G HA2 -0.272 3.689 3.960 0.002 0.000 0.233 13 G HA3 -0.272 3.689 3.960 0.002 0.000 0.233 13 G C -0.328 174.712 174.900 0.234 0.000 1.352 13 G CA 0.118 45.333 45.100 0.192 0.000 0.879 13 G HN 0.734 nan 8.290 nan 0.000 0.567 14 R N 0.798 121.384 120.500 0.142 0.000 2.738 14 R HA 0.464 4.805 4.340 0.002 0.000 0.268 14 R C 0.537 176.898 176.300 0.102 0.000 1.062 14 R CA 0.511 56.637 56.100 0.044 0.000 1.158 14 R CB 0.186 30.525 30.300 0.064 0.000 1.046 14 R HN 1.090 nan 8.270 nan 0.000 0.493 15 H N 0.310 119.432 119.070 0.087 0.000 2.977 15 H HA 0.358 4.915 4.556 0.002 0.000 0.350 15 H C -1.954 173.424 175.328 0.083 0.000 1.238 15 H CA -0.877 55.115 56.048 -0.094 0.000 1.124 15 H CB 1.390 30.877 29.762 -0.459 0.000 1.866 15 H HN 0.668 nan 8.280 nan 0.000 0.550 16 Y N 0.770 121.095 120.300 0.042 0.000 2.361 16 Y HA 0.276 4.827 4.550 0.002 0.000 0.328 16 Y C -0.944 174.956 175.900 0.000 0.000 1.044 16 Y CA -0.728 57.445 58.100 0.122 0.000 1.085 16 Y CB 1.973 40.649 38.460 0.360 0.000 1.194 16 Y HN 0.887 nan 8.280 nan 0.000 0.438 17 E N 4.729 124.635 120.200 -0.490 0.000 2.266 17 E HA 0.571 4.923 4.350 0.002 0.000 0.277 17 E C -1.399 174.739 176.600 -0.770 0.000 1.018 17 E CA -0.392 55.691 56.400 -0.527 0.000 0.840 17 E CB 0.980 30.494 29.700 -0.309 0.000 1.082 17 E HN 0.722 nan 8.360 nan 0.000 0.395 18 C N 2.749 121.730 119.300 -0.532 0.000 2.783 18 C HA 0.578 5.039 4.460 0.002 0.000 0.312 18 C C 0.293 175.276 174.990 -0.012 0.000 1.182 18 C CA -0.022 58.817 59.018 -0.298 0.000 1.432 18 C CB 0.974 28.654 27.740 -0.100 0.000 1.933 18 C HN 0.822 nan 8.230 nan 0.000 0.473 19 S N 1.735 117.560 115.700 0.208 0.000 2.900 19 S HA 0.357 4.828 4.470 0.002 0.000 0.253 19 S C 0.046 174.864 174.600 0.362 0.000 1.029 19 S CA 0.418 58.822 58.200 0.339 0.000 1.096 19 S CB -0.140 63.149 63.200 0.147 0.000 1.067 19 S HN 1.383 nan 8.310 nan 0.000 0.610 20 T N -1.543 113.280 114.554 0.448 0.000 2.838 20 T HA 0.604 4.955 4.350 0.002 0.000 0.292 20 T C -1.500 173.477 174.700 0.461 0.000 1.113 20 T CA -0.643 61.640 62.100 0.305 0.000 1.008 20 T CB 1.042 69.990 68.868 0.133 0.000 1.259 20 T HN -0.094 nan 8.240 nan 0.000 0.520 21 D N 0.637 121.207 120.400 0.283 0.000 2.400 21 D HA 0.401 5.043 4.640 0.002 0.000 0.238 21 D C -0.589 175.944 176.300 0.388 0.000 1.157 21 D CA 0.718 54.941 54.000 0.370 0.000 0.889 21 D CB 0.230 41.164 40.800 0.223 0.000 1.199 21 D HN 0.645 nan 8.370 nan 0.000 0.436 22 H N -1.196 118.111 119.070 0.394 0.000 2.966 22 H HA 0.185 4.742 4.556 0.002 0.000 0.347 22 H C 0.495 175.884 175.328 0.103 0.000 1.048 22 H CA -0.391 55.807 56.048 0.249 0.000 1.295 22 H CB 1.501 31.400 29.762 0.228 0.000 1.744 22 H HN 0.205 nan 8.280 nan 0.000 0.513 23 S N 2.100 117.850 115.700 0.083 0.000 2.470 23 S HA 0.002 4.474 4.470 0.002 0.000 0.225 23 S C 0.650 175.075 174.600 -0.291 0.000 1.006 23 S CA 0.278 58.276 58.200 -0.337 0.000 0.934 23 S CB 0.108 63.210 63.200 -0.164 0.000 0.778 23 S HN 0.539 nan 8.310 nan 0.000 0.517 24 N N -0.016 118.632 118.700 -0.087 0.000 2.571 24 N HA 0.365 5.106 4.740 0.002 0.000 0.286 24 N C -0.330 175.125 175.510 -0.093 0.000 1.138 24 N CA -0.400 52.575 53.050 -0.125 0.000 0.859 24 N CB 1.095 39.507 38.487 -0.126 0.000 1.414 24 N HN 0.123 nan 8.380 nan 0.000 0.529 25 L N 2.230 123.312 121.223 -0.236 0.000 2.567 25 L HA 0.166 4.507 4.340 0.002 0.000 0.225 25 L C 1.857 178.325 176.870 -0.671 0.000 1.119 25 L CA 0.224 54.818 54.840 -0.411 0.000 0.871 25 L CB -0.006 41.651 42.059 -0.669 0.000 1.036 25 L HN 0.596 nan 8.230 nan 0.000 0.459 26 Q N 0.616 120.101 119.800 -0.525 0.000 2.173 26 Q HA -0.229 4.113 4.340 0.002 0.000 0.208 26 Q C -0.602 175.074 176.000 -0.539 0.000 0.989 26 Q CA 1.761 57.272 55.803 -0.488 0.000 0.872 26 Q CB -0.977 27.576 28.738 -0.308 0.000 0.909 26 Q HN 0.442 nan 8.270 nan 0.000 0.420 27 P HA -0.130 nan 4.420 nan 0.000 0.234 27 P C -0.022 176.688 177.300 -0.983 0.000 1.167 27 P CA 1.147 63.764 63.100 -0.804 0.000 0.763 27 P CB 0.050 31.186 31.700 -0.939 0.000 0.835 28 Y N -1.452 118.545 120.300 -0.504 0.000 2.539 28 Y HA 0.283 4.834 4.550 0.002 0.000 0.284 28 Y C 1.068 176.876 175.900 -0.153 0.000 1.134 28 Y CA -0.235 57.593 58.100 -0.452 0.000 1.251 28 Y CB -0.113 37.751 38.460 -0.993 0.000 1.260 28 Y HN -0.166 nan 8.280 nan 0.000 0.528 29 F N -3.485 116.409 119.950 -0.095 0.000 2.645 29 F HA 0.623 5.151 4.527 0.002 0.000 0.310 29 F C 0.498 176.258 175.800 -0.066 0.000 1.102 29 F CA -1.335 56.640 58.000 -0.041 0.000 0.952 29 F CB 1.071 40.085 39.000 0.023 0.000 1.326 29 F HN -0.295 nan 8.300 nan 0.000 0.456 30 S N 0.070 115.865 115.700 0.158 0.000 2.456 30 S HA 0.210 4.681 4.470 0.002 0.000 0.224 30 S C 0.244 174.924 174.600 0.133 0.000 1.035 30 S CA 0.179 58.414 58.200 0.059 0.000 0.940 30 S CB -0.145 63.081 63.200 0.044 0.000 0.799 30 S HN 0.741 nan 8.310 nan 0.000 0.508 31 R N -0.647 120.006 120.500 0.255 0.000 2.799 31 R HA 0.768 5.110 4.340 0.002 0.000 0.270 31 R C -1.861 174.608 176.300 0.283 0.000 1.010 31 R CA -0.877 55.355 56.100 0.220 0.000 0.916 31 R CB 1.227 31.601 30.300 0.125 0.000 1.228 31 R HN 0.108 nan 8.270 nan 0.000 0.469 32 C N 1.877 121.311 119.300 0.224 0.000 2.478 32 C HA 0.466 4.928 4.460 0.002 0.000 0.334 32 C C -0.402 174.771 174.990 0.305 0.000 1.106 32 C CA -0.479 58.656 59.018 0.196 0.000 1.363 32 C CB 0.065 27.917 27.740 0.188 0.000 1.941 32 C HN 1.079 nan 8.230 nan 0.000 0.436 33 N N 1.515 120.383 118.700 0.279 0.000 2.227 33 N HA 0.208 4.950 4.740 0.002 0.000 0.196 33 N C -0.271 175.398 175.510 0.265 0.000 1.142 33 N CA 0.207 53.415 53.050 0.263 0.000 0.887 33 N CB 0.645 39.225 38.487 0.155 0.000 1.022 33 N HN 0.524 nan 8.380 nan 0.000 0.500 34 S N -0.131 115.787 115.700 0.363 0.000 2.540 34 S HA 0.660 5.131 4.470 0.002 0.000 0.275 34 S C -1.654 173.264 174.600 0.530 0.000 1.123 34 S CA -0.527 57.859 58.200 0.309 0.000 0.907 34 S CB 1.204 64.340 63.200 -0.108 0.000 1.081 34 S HN -0.195 nan 8.310 nan 0.000 0.476 35 V N 4.259 124.515 119.914 0.570 0.000 2.841 35 V HA 0.621 4.742 4.120 0.002 0.000 0.310 35 V C -0.715 175.637 176.094 0.429 0.000 1.090 35 V CA -0.722 61.757 62.300 0.299 0.000 0.930 35 V CB 2.275 33.953 31.823 -0.241 0.000 1.014 35 V HN 0.823 nan 8.190 nan 0.000 0.425 36 R N 2.744 123.335 120.500 0.151 0.000 2.412 36 R HA 0.536 4.877 4.340 0.002 0.000 0.304 36 R C -1.322 174.875 176.300 -0.171 0.000 1.066 36 R CA -0.465 55.655 56.100 0.033 0.000 0.923 36 R CB 1.962 32.261 30.300 -0.001 0.000 1.156 36 R HN 0.525 nan 8.270 nan 0.000 0.513 37 V N 3.782 123.617 119.914 -0.131 0.000 2.372 37 V HA -0.024 4.097 4.120 0.002 0.000 0.261 37 V C 1.075 177.086 176.094 -0.137 0.000 1.055 37 V CA 0.177 62.366 62.300 -0.185 0.000 0.930 37 V CB 1.058 32.823 31.823 -0.097 0.000 1.031 37 V HN 0.718 nan 8.190 nan 0.000 0.479 38 D N 3.649 123.974 120.400 -0.124 0.000 2.084 38 D HA -0.056 4.585 4.640 0.002 0.000 0.196 38 D C 0.822 177.103 176.300 -0.032 0.000 0.985 38 D CA 1.483 55.435 54.000 -0.080 0.000 0.826 38 D CB 0.367 41.121 40.800 -0.077 0.000 0.978 38 D HN 0.704 nan 8.370 nan 0.000 0.456 39 S N -2.140 113.577 115.700 0.029 0.000 2.547 39 S HA 0.659 5.130 4.470 0.002 0.000 0.270 39 S C -0.218 174.462 174.600 0.134 0.000 1.150 39 S CA -0.497 57.726 58.200 0.038 0.000 0.850 39 S CB 1.691 64.900 63.200 0.014 0.000 1.118 39 S HN 0.646 nan 8.310 nan 0.000 0.461 40 G N -0.353 108.470 108.800 0.038 0.000 2.629 40 G HA2 0.112 4.073 3.960 0.002 0.000 0.686 40 G HA3 0.112 4.073 3.960 0.002 0.000 0.686 40 G C -0.686 174.199 174.900 -0.025 0.000 1.232 40 G CA -0.593 44.481 45.100 -0.044 0.000 0.803 40 G HN 1.422 nan 8.290 nan 0.000 0.638 41 C N 0.851 120.039 119.300 -0.188 0.000 2.264 41 C HA 0.786 5.247 4.460 0.002 0.000 0.324 41 C C -0.162 174.768 174.990 -0.100 0.000 1.267 41 C CA -0.445 58.582 59.018 0.016 0.000 1.618 41 C CB -0.520 27.275 27.740 0.091 0.000 2.278 41 C HN 0.562 nan 8.230 nan 0.000 0.499 42 W N 2.959 124.322 121.300 0.105 0.000 2.781 42 W HA 0.696 5.358 4.660 0.002 0.000 0.345 42 W C -0.125 176.491 176.519 0.163 0.000 1.085 42 W CA -1.010 56.394 57.345 0.099 0.000 1.198 42 W CB 0.983 30.457 29.460 0.023 0.000 1.423 42 W HN 0.261 nan 8.180 nan 0.000 0.532 43 M N 2.988 122.807 119.600 0.366 0.000 2.043 43 M HA 0.423 4.904 4.480 0.002 0.000 0.322 43 M C -1.595 174.754 176.300 0.083 0.000 0.962 43 M CA -0.743 54.642 55.300 0.143 0.000 0.927 43 M CB 0.371 33.008 32.600 0.062 0.000 1.466 43 M HN 0.182 nan 8.290 nan 0.000 0.412 44 L N 5.511 126.732 121.223 -0.003 0.000 2.334 44 L HA 0.496 4.837 4.340 0.002 0.000 0.277 44 L C -1.160 175.630 176.870 -0.135 0.000 1.075 44 L CA -0.019 54.862 54.840 0.069 0.000 0.804 44 L CB 0.764 42.845 42.059 0.037 0.000 1.174 44 L HN 0.551 nan 8.230 nan 0.000 0.438 45 Y N 0.709 121.118 120.300 0.181 0.000 2.429 45 Y HA 0.252 4.804 4.550 0.002 0.000 0.342 45 Y C 1.122 177.083 175.900 0.101 0.000 1.004 45 Y CA -0.536 57.623 58.100 0.100 0.000 1.075 45 Y CB 1.635 40.162 38.460 0.112 0.000 1.214 45 Y HN 0.695 nan 8.280 nan 0.000 0.455 46 E N 1.246 121.572 120.200 0.210 0.000 2.158 46 E HA -0.075 4.277 4.350 0.002 0.000 0.191 46 E C -0.427 176.237 176.600 0.107 0.000 0.982 46 E CA 0.938 57.450 56.400 0.187 0.000 0.823 46 E CB 0.431 30.218 29.700 0.144 0.000 0.766 46 E HN 0.772 nan 8.360 nan 0.000 0.468 47 Q N 0.115 119.966 119.800 0.085 0.000 2.416 47 Q HA 0.401 4.742 4.340 0.002 0.000 0.279 47 Q C -2.565 173.401 176.000 -0.057 0.000 1.101 47 Q CA -2.439 53.370 55.803 0.010 0.000 0.830 47 Q CB 2.141 30.884 28.738 0.009 0.000 1.402 47 Q HN 0.008 nan 8.270 nan 0.000 0.445 48 P HA -0.012 nan 4.420 nan 0.000 0.270 48 P C -1.041 176.089 177.300 -0.282 0.000 1.223 48 P CA 0.212 63.189 63.100 -0.205 0.000 0.785 48 P CB 0.294 31.899 31.700 -0.159 0.000 0.923 49 N N 0.230 118.632 118.700 -0.496 0.000 2.727 49 N HA -0.218 4.524 4.740 0.002 0.000 0.249 49 N C -0.802 174.415 175.510 -0.488 0.000 1.048 49 N CA 0.547 53.251 53.050 -0.578 0.000 0.714 49 N CB -2.122 36.249 38.487 -0.193 0.000 0.959 49 N HN 0.395 nan 8.380 nan 0.000 0.544 50 F N -3.556 116.206 119.950 -0.314 0.000 3.074 50 F HA -0.294 4.234 4.527 0.002 0.000 0.287 50 F C 0.986 176.511 175.800 -0.458 0.000 0.932 50 F CA 0.929 58.425 58.000 -0.840 0.000 0.995 50 F CB -2.746 35.682 39.000 -0.953 0.000 0.966 50 F HN 0.262 nan 8.300 nan 0.000 0.721 51 T N -2.274 112.247 114.554 -0.055 0.000 2.883 51 T HA 0.912 5.263 4.350 0.002 0.000 0.284 51 T C 0.651 175.437 174.700 0.143 0.000 1.041 51 T CA -0.322 61.828 62.100 0.083 0.000 1.007 51 T CB 2.002 70.889 68.868 0.032 0.000 1.220 51 T HN 1.742 nan 8.240 nan 0.000 0.552 52 G N -0.684 108.177 108.800 0.102 0.000 2.632 52 G HA2 -0.162 3.800 3.960 0.002 0.000 0.224 52 G HA3 -0.162 3.800 3.960 0.002 0.000 0.224 52 G C -0.055 174.840 174.900 -0.008 0.000 1.341 52 G CA -0.578 44.551 45.100 0.049 0.000 0.880 52 G HN 1.242 nan 8.290 nan 0.000 0.566 53 C N 0.981 120.184 119.300 -0.163 0.000 2.653 53 C HA 0.520 4.981 4.460 0.002 0.000 0.421 53 C C 0.883 175.470 174.990 -0.670 0.000 1.334 53 C CA 0.147 58.880 59.018 -0.475 0.000 1.885 53 C CB -0.328 27.025 27.740 -0.645 0.000 2.645 53 C HN 0.649 nan 8.230 nan 0.000 0.601 54 Q N 1.395 120.742 119.800 -0.756 0.000 2.266 54 Q HA 0.616 4.957 4.340 0.002 0.000 0.261 54 Q C -1.649 173.848 176.000 -0.839 0.000 0.985 54 Q CA -0.365 54.979 55.803 -0.765 0.000 0.873 54 Q CB 1.767 30.226 28.738 -0.465 0.000 1.306 54 Q HN 0.718 nan 8.270 nan 0.000 0.447 55 Y N 0.671 120.866 120.300 -0.176 0.000 2.386 55 Y HA 0.369 4.920 4.550 0.002 0.000 0.334 55 Y C -0.982 174.924 175.900 0.010 0.000 1.002 55 Y CA -1.127 56.962 58.100 -0.018 0.000 1.068 55 Y CB 1.128 39.628 38.460 0.066 0.000 1.203 55 Y HN 0.561 nan 8.280 nan 0.000 0.443 56 F N 4.741 124.738 119.950 0.078 0.000 2.420 56 F HA 0.716 5.244 4.527 0.002 0.000 0.352 56 F C -1.590 174.251 175.800 0.067 0.000 1.108 56 F CA -1.682 56.348 58.000 0.049 0.000 1.162 56 F CB 0.448 39.485 39.000 0.061 0.000 1.118 56 F HN 0.374 nan 8.300 nan 0.000 0.510 57 L N 6.272 127.312 121.223 -0.305 0.000 2.410 57 L HA 0.810 5.151 4.340 0.002 0.000 0.270 57 L C 0.072 176.675 176.870 -0.446 0.000 0.983 57 L CA -0.296 54.275 54.840 -0.447 0.000 0.822 57 L CB 1.602 43.396 42.059 -0.443 0.000 1.285 57 L HN 0.787 nan 8.230 nan 0.000 0.409 58 R N 1.576 121.807 120.500 -0.449 0.000 2.943 58 R HA 0.739 5.080 4.340 0.002 0.000 0.246 58 R C -0.091 176.079 176.300 -0.216 0.000 1.201 58 R CA -0.880 54.977 56.100 -0.404 0.000 1.056 58 R CB 0.459 30.253 30.300 -0.845 0.000 1.243 58 R HN 0.670 nan 8.270 nan 0.000 0.498 59 R N 0.034 120.378 120.500 -0.260 0.000 2.504 59 R HA 0.345 4.686 4.340 0.002 0.000 0.291 59 R C 0.213 176.101 176.300 -0.687 0.000 0.974 59 R CA 1.896 57.822 56.100 -0.291 0.000 1.077 59 R CB -0.450 29.737 30.300 -0.189 0.000 0.926 59 R HN 1.193 nan 8.270 nan 0.000 0.407 60 G N 2.777 111.149 108.800 -0.714 0.000 2.343 60 G HA2 0.073 4.035 3.960 0.002 0.000 0.289 60 G HA3 0.073 4.035 3.960 0.002 0.000 0.289 60 G C -2.009 172.611 174.900 -0.468 0.000 1.295 60 G CA -0.829 43.575 45.100 -1.161 0.000 0.869 60 G HN 0.543 nan 8.290 nan 0.000 0.522 61 D N -0.535 119.630 120.400 -0.392 0.000 2.481 61 D HA 0.657 5.298 4.640 0.002 0.000 0.244 61 D C -1.361 174.852 176.300 -0.147 0.000 1.057 61 D CA 0.034 53.981 54.000 -0.088 0.000 0.848 61 D CB 1.587 42.362 40.800 -0.041 0.000 1.388 61 D HN 0.339 nan 8.370 nan 0.000 0.475 62 Y N 1.332 121.893 120.300 0.437 0.000 2.445 62 Y HA 0.246 4.797 4.550 0.002 0.000 0.332 62 Y C -1.673 174.346 175.900 0.200 0.000 1.037 62 Y CA -1.700 56.615 58.100 0.358 0.000 1.296 62 Y CB 2.079 40.859 38.460 0.534 0.000 1.099 62 Y HN 0.231 nan 8.280 nan 0.000 0.496 63 P HA -0.053 nan 4.420 nan 0.000 0.230 63 P C -0.650 176.469 177.300 -0.302 0.000 1.158 63 P CA 1.149 63.987 63.100 -0.436 0.000 0.769 63 P CB 0.752 32.301 31.700 -0.251 0.000 0.807 64 D N -2.390 117.905 120.400 -0.176 0.000 2.661 64 D HA 0.142 4.783 4.640 0.002 0.000 0.228 64 D C 0.541 176.482 176.300 -0.597 0.000 1.210 64 D CA -0.583 53.225 54.000 -0.319 0.000 0.826 64 D CB 0.584 41.154 40.800 -0.384 0.000 1.542 64 D HN -0.096 nan 8.370 nan 0.000 0.447 65 Y N 0.074 119.809 120.300 -0.941 0.000 2.483 65 Y HA -0.072 4.479 4.550 0.002 0.000 0.291 65 Y C 1.575 176.638 175.900 -1.395 0.000 1.143 65 Y CA 0.922 57.822 58.100 -2.000 0.000 1.289 65 Y CB -0.439 37.297 38.460 -1.205 0.000 0.983 65 Y HN 0.276 nan 8.280 nan 0.000 0.556 66 Q N 0.422 119.624 119.800 -0.995 0.000 2.297 66 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 66 Q C 2.046 177.859 176.000 -0.311 0.000 0.962 66 Q CA 1.168 56.613 55.803 -0.597 0.000 0.879 66 Q CB -0.179 28.245 28.738 -0.524 0.000 0.947 66 Q HN 0.504 nan 8.270 nan 0.000 0.462 67 Q N -0.880 118.783 119.800 -0.227 0.000 2.291 67 Q HA -0.151 4.190 4.340 0.002 0.000 0.206 67 Q C 0.904 177.114 176.000 0.350 0.000 0.976 67 Q CA 1.099 56.977 55.803 0.125 0.000 0.875 67 Q CB -0.094 28.835 28.738 0.319 0.000 0.927 67 Q HN 0.728 nan 8.270 nan 0.000 0.450 68 W N -1.696 119.669 121.300 0.107 0.000 2.966 68 W HA 0.482 5.143 4.660 0.002 0.000 0.406 68 W C -0.033 176.530 176.519 0.073 0.000 1.027 68 W CA -0.640 56.717 57.345 0.019 0.000 1.930 68 W CB -0.226 29.078 29.460 -0.260 0.000 1.144 68 W HN -0.096 nan 8.180 nan 0.000 0.626 69 M N 1.361 121.026 119.600 0.109 0.000 2.427 69 M HA -0.147 4.334 4.480 0.002 0.000 0.204 69 M C 0.753 177.199 176.300 0.243 0.000 0.413 69 M CA 1.275 56.684 55.300 0.181 0.000 0.507 69 M CB -1.963 30.843 32.600 0.343 0.000 1.823 69 M HN 0.397 nan 8.290 nan 0.000 0.859 70 G N -0.569 108.162 108.800 -0.115 0.000 2.442 70 G HA2 0.411 4.372 3.960 0.002 0.000 0.249 70 G HA3 0.411 4.372 3.960 0.002 0.000 0.249 70 G C 0.051 175.181 174.900 0.384 0.000 1.263 70 G CA -0.513 44.509 45.100 -0.131 0.000 0.846 70 G HN 0.344 nan 8.290 nan 0.000 0.555 71 F N 0.646 120.718 119.950 0.203 0.000 2.664 71 F HA 0.194 4.722 4.527 0.002 0.000 0.296 71 F C 1.755 177.588 175.800 0.054 0.000 1.125 71 F CA 0.285 58.396 58.000 0.186 0.000 1.444 71 F CB 0.007 39.135 39.000 0.214 0.000 1.114 71 F HN 0.602 nan 8.300 nan 0.000 0.576 72 S N -1.327 114.365 115.700 -0.014 0.000 2.761 72 S HA 0.266 4.737 4.470 0.002 0.000 0.290 72 S C -0.869 173.154 174.600 -0.963 0.000 1.222 72 S CA -0.299 57.621 58.200 -0.466 0.000 0.954 72 S CB 1.062 64.202 63.200 -0.100 0.000 1.281 72 S HN 0.018 nan 8.310 nan 0.000 0.527 73 D N 0.404 120.416 120.400 -0.646 0.000 2.559 73 D HA 0.328 4.969 4.640 0.002 0.000 0.234 73 D C -0.512 175.776 176.300 -0.020 0.000 1.226 73 D CA -0.257 53.521 54.000 -0.370 0.000 0.830 73 D CB -0.102 40.551 40.800 -0.244 0.000 1.028 73 D HN 0.292 nan 8.370 nan 0.000 0.492 74 S N -0.175 115.543 115.700 0.029 0.000 2.438 74 S HA 0.526 4.997 4.470 0.002 0.000 0.293 74 S C -0.348 174.372 174.600 0.200 0.000 1.141 74 S CA -0.633 57.634 58.200 0.111 0.000 1.080 74 S CB 1.838 65.091 63.200 0.088 0.000 0.978 74 S HN 0.134 nan 8.310 nan 0.000 0.479 75 V N 4.988 125.024 119.914 0.203 0.000 2.488 75 V HA 0.415 4.536 4.120 0.002 0.000 0.293 75 V C 0.281 176.416 176.094 0.068 0.000 1.027 75 V CA -0.591 61.824 62.300 0.191 0.000 0.862 75 V CB 1.559 33.491 31.823 0.182 0.000 1.008 75 V HN 0.891 nan 8.190 nan 0.000 0.428 76 R N 1.972 122.477 120.500 0.009 0.000 2.487 76 R HA 0.337 4.678 4.340 0.002 0.000 0.272 76 R C 0.326 176.542 176.300 -0.140 0.000 0.928 76 R CA 0.309 56.333 56.100 -0.128 0.000 1.077 76 R CB 1.214 31.446 30.300 -0.113 0.000 1.265 76 R HN 0.738 nan 8.270 nan 0.000 0.537 77 S N -0.418 115.266 115.700 -0.027 0.000 2.570 77 S HA 0.666 5.137 4.470 0.002 0.000 0.270 77 S C -0.667 174.114 174.600 0.302 0.000 1.149 77 S CA -0.944 57.244 58.200 -0.020 0.000 0.837 77 S CB 2.009 64.974 63.200 -0.391 0.000 1.124 77 S HN 0.268 nan 8.310 nan 0.000 0.465 78 C N 0.008 119.602 119.300 0.489 0.000 3.285 78 C HA 0.896 5.357 4.460 0.002 0.000 0.325 78 C C -1.139 174.332 174.990 0.802 0.000 1.304 78 C CA -0.759 58.678 59.018 0.698 0.000 1.319 78 C CB 0.955 29.050 27.740 0.592 0.000 1.640 78 C HN 1.155 nan 8.230 nan 0.000 0.477 79 R N 1.195 122.118 120.500 0.706 0.000 2.574 79 R HA 0.606 4.947 4.340 0.002 0.000 0.288 79 R C -1.395 175.010 176.300 0.174 0.000 1.004 79 R CA -0.712 55.626 56.100 0.396 0.000 0.895 79 R CB 1.960 32.424 30.300 0.274 0.000 1.191 79 R HN 0.873 nan 8.270 nan 0.000 0.444 80 L N 5.529 126.636 121.223 -0.193 0.000 2.281 80 L HA 0.355 4.696 4.340 0.002 0.000 0.285 80 L C -0.565 176.023 176.870 -0.471 0.000 1.074 80 L CA -0.447 53.917 54.840 -0.794 0.000 0.817 80 L CB 0.681 42.242 42.059 -0.831 0.000 1.168 80 L HN 0.559 nan 8.230 nan 0.000 0.434 81 I N 6.560 126.849 120.570 -0.468 0.000 2.395 81 I HA 0.331 4.502 4.170 0.002 0.000 0.289 81 I C -1.782 174.054 176.117 -0.469 0.000 1.023 81 I CA -2.211 58.823 61.300 -0.443 0.000 1.350 81 I CB 0.510 38.304 38.000 -0.343 0.000 1.409 81 I HN 0.403 nan 8.210 nan 0.000 0.507 82 P HA 0.090 nan 4.420 nan 0.000 0.271 82 P C -0.639 176.501 177.300 -0.266 0.000 1.244 82 P CA -0.018 62.851 63.100 -0.385 0.000 0.793 82 P CB 0.360 31.817 31.700 -0.405 0.000 0.984 83 H N -0.166 118.789 119.070 -0.191 0.000 2.517 83 H HA 0.455 5.013 4.556 0.002 0.000 0.317 83 H C -0.732 174.554 175.328 -0.070 0.000 1.080 83 H CA -0.133 55.844 56.048 -0.118 0.000 1.301 83 H CB 0.350 30.059 29.762 -0.088 0.000 1.425 83 H HN 0.153 nan 8.280 nan 0.000 0.471 84 S N 3.203 118.526 115.700 -0.629 0.000 2.565 84 S HA 0.443 4.914 4.470 0.002 0.000 0.290 84 S C -0.349 173.720 174.600 -0.884 0.000 1.150 84 S CA -0.820 57.033 58.200 -0.577 0.000 1.058 84 S CB 1.343 64.183 63.200 -0.600 0.000 1.032 84 S HN 0.808 nan 8.310 nan 0.000 0.510 88 H N 0.160 119.215 119.070 -0.025 0.000 2.782 88 H HA 0.817 5.374 4.556 0.002 0.000 0.347 88 H C -0.339 175.178 175.328 0.315 0.000 1.038 88 H CA -0.439 55.642 56.048 0.056 0.000 1.255 88 H CB 1.736 31.261 29.762 -0.394 0.000 1.623 88 H HN 0.746 nan 8.280 nan 0.000 0.525 89 R N 3.363 124.175 120.500 0.521 0.000 2.564 89 R HA 0.624 4.965 4.340 0.002 0.000 0.284 89 R C -1.832 174.592 176.300 0.206 0.000 1.031 89 R CA -0.743 55.567 56.100 0.350 0.000 0.904 89 R CB 1.892 32.284 30.300 0.155 0.000 1.199 89 R HN 0.727 nan 8.270 nan 0.000 0.443 90 I N 2.730 123.318 120.570 0.030 0.000 2.692 90 I HA 0.431 4.602 4.170 0.002 0.000 0.293 90 I C -1.367 174.699 176.117 -0.084 0.000 1.200 90 I CA -0.969 60.214 61.300 -0.196 0.000 1.036 90 I CB 2.087 39.632 38.000 -0.758 0.000 1.258 90 I HN 0.604 nan 8.210 nan 0.000 0.421 91 R N 6.967 127.475 120.500 0.012 0.000 2.207 91 R HA 0.586 4.927 4.340 0.002 0.000 0.334 91 R C -1.196 175.096 176.300 -0.013 0.000 1.013 91 R CA -0.216 55.870 56.100 -0.024 0.000 0.858 91 R CB 0.629 31.012 30.300 0.138 0.000 1.094 91 R HN 0.480 nan 8.270 nan 0.000 0.457 92 I N 5.312 125.783 120.570 -0.165 0.000 2.315 92 I HA 0.271 4.442 4.170 0.002 0.000 0.291 92 I C -0.629 175.361 176.117 -0.212 0.000 1.006 92 I CA -0.674 60.585 61.300 -0.069 0.000 1.265 92 I CB 0.752 38.773 38.000 0.035 0.000 1.387 92 I HN 0.480 nan 8.210 nan 0.000 0.475 93 Y N 3.495 123.768 120.300 -0.046 0.000 2.468 93 Y HA 0.217 4.768 4.550 0.002 0.000 0.342 93 Y C 1.150 177.081 175.900 0.051 0.000 1.021 93 Y CA -0.823 57.292 58.100 0.024 0.000 1.079 93 Y CB 1.533 39.988 38.460 -0.008 0.000 1.226 93 Y HN 0.577 nan 8.280 nan 0.000 0.460 94 E N 1.453 121.831 120.200 0.296 0.000 2.152 94 E HA -0.009 4.342 4.350 0.002 0.000 0.192 94 E C 0.105 176.676 176.600 -0.048 0.000 0.983 94 E CA 0.740 57.233 56.400 0.154 0.000 0.818 94 E CB 0.383 30.175 29.700 0.154 0.000 0.758 94 E HN 0.599 nan 8.360 nan 0.000 0.467 95 R N 0.275 120.775 120.500 -0.000 0.000 2.873 95 R HA 0.294 4.635 4.340 0.002 0.000 0.264 95 R C -0.579 175.709 176.300 -0.020 0.000 1.026 95 R CA -0.711 55.362 56.100 -0.045 0.000 1.002 95 R CB 1.445 31.713 30.300 -0.054 0.000 1.174 95 R HN 0.042 nan 8.270 nan 0.000 0.488 96 E N 0.601 120.805 120.200 0.007 0.000 2.409 96 E HA -0.039 4.312 4.350 0.002 0.000 0.257 96 E C -0.590 175.855 176.600 -0.258 0.000 1.150 96 E CA 0.244 56.593 56.400 -0.084 0.000 0.942 96 E CB 0.266 29.957 29.700 -0.015 0.000 0.979 96 E HN 0.527 nan 8.360 nan 0.000 0.447 97 D N -0.030 120.092 120.400 -0.463 0.000 2.837 97 D HA -0.236 4.405 4.640 0.002 0.000 0.230 97 D C -1.081 174.893 176.300 -0.544 0.000 1.152 97 D CA 0.870 54.566 54.000 -0.507 0.000 0.736 97 D CB -1.411 39.284 40.800 -0.176 0.000 1.084 97 D HN 0.538 nan 8.370 nan 0.000 0.429 98 Y N -3.620 116.423 120.300 -0.428 0.000 3.477 98 Y HA -0.309 4.242 4.550 0.002 0.000 0.216 98 Y C 0.878 176.525 175.900 -0.421 0.000 1.296 98 Y CA 0.581 58.104 58.100 -0.962 0.000 1.535 98 Y CB -1.815 35.959 38.460 -1.144 0.000 1.482 98 Y HN 0.093 nan 8.280 nan 0.000 0.597 99 R N 0.332 120.756 120.500 -0.128 0.000 2.732 99 R HA 0.814 5.155 4.340 0.002 0.000 0.278 99 R C 0.754 177.082 176.300 0.046 0.000 0.976 99 R CA 0.050 56.145 56.100 -0.010 0.000 0.963 99 R CB 1.824 32.099 30.300 -0.042 0.000 1.150 99 R HN 0.676 nan 8.270 nan 0.000 0.478 100 G N 0.902 109.719 108.800 0.028 0.000 2.587 100 G HA2 -0.229 3.733 3.960 0.002 0.000 0.212 100 G HA3 -0.229 3.733 3.960 0.002 0.000 0.212 100 G C -1.089 173.764 174.900 -0.078 0.000 1.327 100 G CA -0.758 44.327 45.100 -0.025 0.000 0.898 100 G HN 0.562 nan 8.290 nan 0.000 0.551 101 Q N 0.292 119.951 119.800 -0.234 0.000 2.244 101 Q HA 0.370 4.711 4.340 0.002 0.000 0.278 101 Q C 0.423 176.016 176.000 -0.679 0.000 1.093 101 Q CA 0.686 56.188 55.803 -0.502 0.000 0.916 101 Q CB 0.361 28.641 28.738 -0.762 0.000 1.159 101 Q HN 0.721 nan 8.270 nan 0.000 0.384 102 M N 2.809 122.116 119.600 -0.489 0.000 2.528 102 M HA 0.651 5.133 4.480 0.002 0.000 0.321 102 M C -1.130 174.908 176.300 -0.436 0.000 1.153 102 M CA -0.846 54.159 55.300 -0.492 0.000 0.951 102 M CB 1.602 33.852 32.600 -0.583 0.000 1.705 102 M HN 0.124 nan 8.290 nan 0.000 0.451 103 V N -0.901 118.806 119.914 -0.346 0.000 3.074 103 V HA 0.865 4.986 4.120 0.002 0.000 0.314 103 V C -1.194 174.772 176.094 -0.213 0.000 1.117 103 V CA -0.560 61.583 62.300 -0.262 0.000 1.014 103 V CB 1.851 33.437 31.823 -0.396 0.000 1.057 103 V HN 1.132 nan 8.190 nan 0.000 0.438 104 E N 1.168 121.309 120.200 -0.098 0.000 2.292 104 E HA 0.775 5.127 4.350 0.002 0.000 0.272 104 E C -1.430 175.212 176.600 0.071 0.000 0.881 104 E CA -0.826 55.557 56.400 -0.029 0.000 0.754 104 E CB 2.386 32.079 29.700 -0.012 0.000 1.201 104 E HN 0.931 nan 8.360 nan 0.000 0.425 105 I N -0.008 120.629 120.570 0.112 0.000 3.095 105 I HA 0.576 4.747 4.170 0.002 0.000 0.310 105 I C 0.046 176.351 176.117 0.313 0.000 1.196 105 I CA -0.856 60.578 61.300 0.223 0.000 0.985 105 I CB 2.450 40.635 38.000 0.308 0.000 1.250 105 I HN 0.508 nan 8.210 nan 0.000 0.446 106 T N -2.848 111.902 114.554 0.327 0.000 3.209 106 T HA 0.332 4.683 4.350 0.002 0.000 0.295 106 T C -0.329 174.523 174.700 0.254 0.000 0.977 106 T CA -0.137 62.161 62.100 0.331 0.000 0.922 106 T CB -0.301 68.689 68.868 0.203 0.000 1.152 106 T HN 0.712 nan 8.240 nan 0.000 0.527 107 D N 0.618 121.201 120.400 0.304 0.000 2.523 107 D HA 0.415 5.057 4.640 0.002 0.000 0.236 107 D C -1.100 175.356 176.300 0.261 0.000 1.094 107 D CA -0.438 53.675 54.000 0.187 0.000 0.942 107 D CB 2.169 43.068 40.800 0.164 0.000 1.447 107 D HN -0.049 nan 8.370 nan 0.000 0.479 108 D N 0.210 120.701 120.400 0.152 0.000 2.357 108 D HA 0.182 4.823 4.640 0.002 0.000 0.242 108 D C -0.407 176.043 176.300 0.249 0.000 1.153 108 D CA 0.161 54.294 54.000 0.222 0.000 0.918 108 D CB 1.066 41.958 40.800 0.154 0.000 1.181 108 D HN 0.133 nan 8.370 nan 0.000 0.435 109 C N 3.198 122.673 119.300 0.291 0.000 2.789 109 C HA 0.258 4.719 4.460 0.002 0.000 0.324 109 C C -1.684 173.331 174.990 0.041 0.000 1.042 109 C CA -1.478 57.620 59.018 0.134 0.000 1.396 109 C CB 0.791 28.612 27.740 0.135 0.000 1.870 109 C HN 0.454 nan 8.230 nan 0.000 0.470 110 P HA -0.037 nan 4.420 nan 0.000 0.225 110 P C 0.005 177.099 177.300 -0.345 0.000 1.156 110 P CA 1.261 64.049 63.100 -0.521 0.000 0.787 110 P CB 0.148 31.587 31.700 -0.436 0.000 0.802 111 H N -0.235 118.665 119.070 -0.284 0.000 2.699 111 H HA 0.211 4.769 4.556 0.003 0.000 0.256 111 H C 0.980 176.150 175.328 -0.262 0.000 1.376 111 H CA -0.838 55.065 56.048 -0.242 0.000 1.549 111 H CB 0.100 29.748 29.762 -0.191 0.000 1.686 111 H HN -0.296 nan 8.280 nan 0.000 0.550 112 L N 2.394 123.558 121.223 -0.097 0.000 1.991 112 L HA -0.286 4.056 4.340 0.002 0.000 0.221 112 L C 2.138 178.941 176.870 -0.111 0.000 1.079 112 L CA 2.110 56.752 54.840 -0.330 0.000 0.778 112 L CB -0.660 40.790 42.059 -1.015 0.000 0.893 112 L HN 0.586 nan 8.230 nan 0.000 0.437 113 Q N -1.128 118.754 119.800 0.136 0.000 2.135 113 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 113 Q C 1.914 177.925 176.000 0.018 0.000 0.981 113 Q CA 1.749 57.739 55.803 0.312 0.000 0.856 113 Q CB -0.311 28.667 28.738 0.401 0.000 0.902 113 Q HN 0.468 nan 8.270 nan 0.000 0.425 114 D N -0.649 119.546 120.400 -0.342 0.000 2.234 114 D HA -0.057 4.585 4.640 0.002 0.000 0.205 114 D C 1.776 177.737 176.300 -0.566 0.000 0.962 114 D CA 0.637 54.357 54.000 -0.467 0.000 0.855 114 D CB 0.049 40.390 40.800 -0.764 0.000 0.951 114 D HN 0.154 nan 8.370 nan 0.000 0.500 115 R N -0.648 119.526 120.500 -0.544 0.000 2.066 115 R HA -0.005 4.336 4.340 0.002 0.000 0.224 115 R C 1.561 177.426 176.300 -0.725 0.000 1.122 115 R CA 1.079 56.771 56.100 -0.681 0.000 0.974 115 R CB -0.198 29.609 30.300 -0.821 0.000 0.871 115 R HN 0.019 nan 8.270 nan 0.000 0.435 116 F N -0.603 119.244 119.950 -0.172 0.000 2.505 116 F HA 0.209 4.737 4.527 0.001 0.000 0.289 116 F C 0.641 176.533 175.800 0.153 0.000 1.101 116 F CA 0.545 58.591 58.000 0.076 0.000 1.446 116 F CB 0.087 39.265 39.000 0.297 0.000 1.123 116 F HN 0.118 nan 8.300 nan 0.000 0.564 117 H N -1.505 117.777 119.070 0.354 0.000 3.415 117 H HA -0.221 4.337 4.556 0.002 0.000 0.213 117 H C 0.263 175.756 175.328 0.276 0.000 1.091 117 H CA 0.810 57.005 56.048 0.245 0.000 1.182 117 H CB -2.582 27.287 29.762 0.178 0.000 1.160 117 H HN 0.452 nan 8.280 nan 0.000 0.319 118 F N -1.435 118.648 119.950 0.222 0.000 2.434 118 F HA 0.714 5.242 4.527 0.003 0.000 0.316 118 F C 1.400 176.967 175.800 -0.389 0.000 1.222 118 F CA -0.009 57.963 58.000 -0.046 0.000 1.207 118 F CB 0.008 38.960 39.000 -0.081 0.000 1.466 118 F HN 0.024 nan 8.300 nan 0.000 0.545 119 S N 0.441 116.040 115.700 -0.168 0.000 2.503 119 S HA -0.289 4.182 4.470 0.002 0.000 0.275 119 S C 0.697 175.036 174.600 -0.434 0.000 1.133 119 S CA 2.144 60.259 58.200 -0.141 0.000 1.060 119 S CB -0.970 62.258 63.200 0.046 0.000 0.868 119 S HN 0.692 nan 8.310 nan 0.000 0.478 120 D N -0.219 119.804 120.400 -0.628 0.000 2.317 120 D HA 0.493 5.135 4.640 0.002 0.000 0.234 120 D C -1.071 174.763 176.300 -0.777 0.000 1.112 120 D CA -0.121 53.587 54.000 -0.487 0.000 0.840 120 D CB 0.725 41.239 40.800 -0.477 0.000 1.078 120 D HN 0.322 nan 8.370 nan 0.000 0.486 121 F N 1.456 121.478 119.950 0.120 0.000 2.550 121 F HA 0.166 4.695 4.527 0.002 0.000 0.348 121 F C 0.971 176.879 175.800 0.181 0.000 1.219 121 F CA -0.628 57.374 58.000 0.004 0.000 1.203 121 F CB 0.577 39.581 39.000 0.006 0.000 1.436 121 F HN 0.318 nan 8.300 nan 0.000 0.541 122 H N -0.659 118.431 119.070 0.034 0.000 2.592 122 H HA 0.305 4.862 4.556 0.003 0.000 0.265 122 H C 0.506 175.914 175.328 0.133 0.000 0.955 122 H CA -0.025 56.117 56.048 0.157 0.000 1.175 122 H CB 0.755 30.575 29.762 0.097 0.000 1.433 122 H HN 0.337 nan 8.280 nan 0.000 0.537 123 S N -0.569 115.082 115.700 -0.080 0.000 2.564 123 S HA 0.626 5.097 4.470 0.002 0.000 0.274 123 S C -1.745 172.633 174.600 -0.370 0.000 1.124 123 S CA -0.572 57.561 58.200 -0.112 0.000 0.869 123 S CB 0.826 63.851 63.200 -0.290 0.000 1.105 123 S HN 0.019 nan 8.310 nan 0.000 0.472 124 F N 1.626 121.856 119.950 0.465 0.000 2.613 124 F HA 0.480 5.009 4.527 0.002 0.000 0.310 124 F C -0.510 175.724 175.800 0.723 0.000 1.085 124 F CA -0.672 57.629 58.000 0.501 0.000 0.945 124 F CB 1.905 41.005 39.000 0.167 0.000 1.298 124 F HN 0.603 nan 8.300 nan 0.000 0.455 125 H N 1.240 120.682 119.070 0.619 0.000 3.078 125 H HA 0.617 5.174 4.556 0.002 0.000 0.319 125 H C -1.767 173.679 175.328 0.197 0.000 0.995 125 H CA -0.810 55.458 56.048 0.365 0.000 1.417 125 H CB 1.259 31.189 29.762 0.278 0.000 1.598 125 H HN 0.345 nan 8.280 nan 0.000 0.515 126 V N 7.928 127.835 119.914 -0.011 0.000 2.353 126 V HA 0.090 4.212 4.120 0.002 0.000 0.264 126 V C 1.151 177.077 176.094 -0.280 0.000 1.049 126 V CA 0.036 62.261 62.300 -0.124 0.000 0.896 126 V CB 0.735 32.569 31.823 0.017 0.000 1.025 126 V HN 0.916 nan 8.190 nan 0.000 0.475 127 M N 2.702 122.132 119.600 -0.284 0.000 2.466 127 M HA 0.266 4.747 4.480 0.002 0.000 0.265 127 M C 0.228 176.469 176.300 -0.099 0.000 1.122 127 M CA 1.053 56.199 55.300 -0.255 0.000 1.157 127 M CB 0.463 32.937 32.600 -0.211 0.000 1.352 127 M HN 0.563 nan 8.290 nan 0.000 0.464 128 E N -0.327 119.869 120.200 -0.006 0.000 2.321 128 E HA 0.558 4.909 4.350 0.002 0.000 0.278 128 E C -0.550 176.091 176.600 0.069 0.000 0.902 128 E CA -0.452 55.945 56.400 -0.004 0.000 0.758 128 E CB 2.254 31.954 29.700 -0.001 0.000 1.213 128 E HN 0.257 nan 8.360 nan 0.000 0.426 129 G N 0.998 109.733 108.800 -0.109 0.000 2.756 129 G HA2 -0.215 3.746 3.960 0.002 0.000 0.678 129 G HA3 -0.215 3.746 3.960 0.002 0.000 0.678 129 G C -1.569 173.319 174.900 -0.020 0.000 1.349 129 G CA -0.944 44.059 45.100 -0.162 0.000 0.847 129 G HN 0.303 nan 8.290 nan 0.000 0.548 130 Y N -1.129 119.240 120.300 0.115 0.000 2.377 130 Y HA 0.752 5.303 4.550 0.002 0.000 0.339 130 Y C 0.205 176.158 175.900 0.088 0.000 1.011 130 Y CA -0.399 57.792 58.100 0.150 0.000 1.093 130 Y CB 1.817 40.276 38.460 -0.001 0.000 1.201 130 Y HN 0.709 nan 8.280 nan 0.000 0.455 131 W N 0.925 122.223 121.300 -0.003 0.000 3.029 131 W HA 0.761 5.422 4.660 0.002 0.000 0.339 131 W C -1.606 174.776 176.519 -0.227 0.000 1.198 131 W CA -1.027 56.240 57.345 -0.130 0.000 1.148 131 W CB 1.211 30.589 29.460 -0.137 0.000 1.451 131 W HN 0.084 nan 8.180 nan 0.000 0.564 132 V N 3.223 123.115 119.914 -0.037 0.000 2.409 132 V HA 0.389 4.510 4.120 0.002 0.000 0.291 132 V C -0.853 175.110 176.094 -0.219 0.000 1.020 132 V CA -0.978 61.178 62.300 -0.240 0.000 0.848 132 V CB 1.158 32.734 31.823 -0.411 0.000 0.990 132 V HN 0.385 nan 8.190 nan 0.000 0.430 133 L N 6.235 127.289 121.223 -0.282 0.000 2.289 133 L HA 0.597 4.938 4.340 0.002 0.000 0.285 133 L C -1.003 175.781 176.870 -0.144 0.000 1.049 133 L CA 0.175 54.884 54.840 -0.219 0.000 0.804 133 L CB 0.792 42.556 42.059 -0.492 0.000 1.195 133 L HN 0.530 nan 8.230 nan 0.000 0.428 134 Y N 2.629 122.969 120.300 0.066 0.000 2.446 134 Y HA 0.274 4.825 4.550 0.002 0.000 0.338 134 Y C 1.194 177.165 175.900 0.119 0.000 1.055 134 Y CA -0.432 57.723 58.100 0.092 0.000 1.101 134 Y CB 1.438 39.979 38.460 0.135 0.000 1.221 134 Y HN 0.730 nan 8.280 nan 0.000 0.460 135 E N 1.912 122.291 120.200 0.299 0.000 2.106 135 E HA -0.082 4.269 4.350 0.002 0.000 0.192 135 E C -0.319 176.388 176.600 0.178 0.000 0.984 135 E CA 1.066 57.627 56.400 0.269 0.000 0.806 135 E CB 0.247 30.099 29.700 0.253 0.000 0.750 135 E HN 0.627 nan 8.360 nan 0.000 0.458 136 M N 0.845 120.528 119.600 0.139 0.000 2.664 136 M HA 0.409 4.890 4.480 0.002 0.000 0.314 136 M C -2.349 173.895 176.300 -0.093 0.000 1.200 136 M CA -2.508 52.805 55.300 0.022 0.000 0.916 136 M CB 2.013 34.624 32.600 0.018 0.000 1.717 136 M HN -0.185 nan 8.290 nan 0.000 0.470 137 P HA 0.003 nan 4.420 nan 0.000 0.272 137 P C -0.538 176.526 177.300 -0.393 0.000 1.254 137 P CA 0.157 63.003 63.100 -0.423 0.000 0.795 137 P CB 0.274 31.479 31.700 -0.825 0.000 1.022 138 N N -2.100 116.274 118.700 -0.543 0.000 2.753 138 N HA -0.224 4.517 4.740 0.002 0.000 0.251 138 N C -0.653 174.519 175.510 -0.562 0.000 1.097 138 N CA 0.953 53.668 53.050 -0.557 0.000 0.786 138 N CB -1.934 36.393 38.487 -0.266 0.000 1.137 138 N HN 0.527 nan 8.380 nan 0.000 0.566 139 Y N -2.154 117.903 120.300 -0.404 0.000 3.091 139 Y HA -0.272 4.279 4.550 0.002 0.000 0.189 139 Y C 0.646 176.228 175.900 -0.529 0.000 1.520 139 Y CA 0.539 58.069 58.100 -0.950 0.000 1.121 139 Y CB -1.834 36.025 38.460 -1.001 0.000 1.411 139 Y HN 0.159 nan 8.280 nan 0.000 0.459 140 R N -0.190 120.256 120.500 -0.091 0.000 2.888 140 R HA 0.846 5.187 4.340 0.002 0.000 0.266 140 R C 1.037 177.475 176.300 0.230 0.000 1.020 140 R CA -0.584 55.574 56.100 0.097 0.000 0.963 140 R CB 1.400 31.717 30.300 0.027 0.000 1.197 140 R HN 0.763 nan 8.270 nan 0.000 0.481 141 G N 1.134 110.081 108.800 0.244 0.000 2.525 141 G HA2 -0.303 3.658 3.960 0.002 0.000 0.248 141 G HA3 -0.303 3.658 3.960 0.002 0.000 0.248 141 G C -0.692 174.418 174.900 0.351 0.000 1.238 141 G CA -0.334 44.936 45.100 0.284 0.000 0.926 141 G HN 0.518 nan 8.290 nan 0.000 0.574 142 R N 0.908 121.561 120.500 0.256 0.000 2.623 142 R HA 0.365 4.707 4.340 0.002 0.000 0.271 142 R C 0.354 176.440 176.300 -0.355 0.000 1.043 142 R CA 0.551 56.614 56.100 -0.061 0.000 1.083 142 R CB 0.224 30.450 30.300 -0.122 0.000 0.974 142 R HN 0.598 nan 8.270 nan 0.000 0.436 143 Q N 2.190 121.614 119.800 -0.627 0.000 2.365 143 Q HA 0.400 4.742 4.340 0.002 0.000 0.269 143 Q C -1.478 174.009 176.000 -0.854 0.000 1.061 143 Q CA -0.732 54.661 55.803 -0.684 0.000 0.816 143 Q CB 2.281 30.794 28.738 -0.375 0.000 1.325 143 Q HN 0.460 nan 8.270 nan 0.000 0.446 144 Y N 0.513 120.683 120.300 -0.217 0.000 2.386 144 Y HA 0.283 4.835 4.550 0.002 0.000 0.334 144 Y C -0.605 175.188 175.900 -0.178 0.000 1.002 144 Y CA -0.900 57.130 58.100 -0.118 0.000 1.068 144 Y CB 1.288 39.743 38.460 -0.008 0.000 1.203 144 Y HN 0.455 nan 8.280 nan 0.000 0.443 145 L N 5.229 126.498 121.223 0.076 0.000 2.367 145 L HA 0.395 4.736 4.340 0.002 0.000 0.275 145 L C -1.084 175.801 176.870 0.026 0.000 1.129 145 L CA -0.129 54.738 54.840 0.045 0.000 0.839 145 L CB 0.559 42.700 42.059 0.137 0.000 1.133 145 L HN 0.715 nan 8.230 nan 0.000 0.453 146 L N 6.659 127.869 121.223 -0.022 0.000 2.318 146 L HA 0.476 4.817 4.340 0.002 0.000 0.277 146 L C 0.080 177.021 176.870 0.118 0.000 1.008 146 L CA -0.506 54.285 54.840 -0.082 0.000 0.846 146 L CB 1.520 43.394 42.059 -0.309 0.000 1.220 146 L HN 0.683 nan 8.230 nan 0.000 0.423 147 R N 2.845 123.461 120.500 0.193 0.000 2.607 147 R HA 0.476 4.818 4.340 0.002 0.000 0.261 147 R C -2.435 173.809 176.300 -0.095 0.000 1.051 147 R CA -1.985 54.060 56.100 -0.090 0.000 1.110 147 R CB 0.556 30.904 30.300 0.081 0.000 1.158 147 R HN 0.242 nan 8.270 nan 0.000 0.543 148 P HA 0.034 nan 4.420 nan 0.000 0.260 148 P C -0.360 176.886 177.300 -0.090 0.000 1.185 148 P CA 0.758 63.750 63.100 -0.180 0.000 0.763 148 P CB 0.551 32.120 31.700 -0.218 0.000 0.776 149 G N 2.545 111.303 108.800 -0.070 0.000 2.351 149 G HA2 0.151 4.112 3.960 0.002 0.000 0.279 149 G HA3 0.151 4.112 3.960 0.002 0.000 0.279 149 G C -1.749 173.098 174.900 -0.087 0.000 1.297 149 G CA -0.655 44.378 45.100 -0.111 0.000 0.886 149 G HN 0.374 nan 8.290 nan 0.000 0.493 150 E N -0.631 119.433 120.200 -0.227 0.000 2.199 150 E HA 0.605 4.956 4.350 0.002 0.000 0.269 150 E C -1.711 174.711 176.600 -0.296 0.000 0.899 150 E CA -0.536 55.833 56.400 -0.052 0.000 0.772 150 E CB 2.045 31.749 29.700 0.006 0.000 1.155 150 E HN 0.399 nan 8.360 nan 0.000 0.408 151 Y N 1.892 122.477 120.300 0.475 0.000 2.526 151 Y HA 0.270 4.821 4.550 0.002 0.000 0.328 151 Y C 0.766 176.886 175.900 0.366 0.000 0.995 151 Y CA -0.725 57.657 58.100 0.470 0.000 1.304 151 Y CB 0.994 39.866 38.460 0.687 0.000 1.096 151 Y HN 0.417 nan 8.280 nan 0.000 0.499 152 R N 1.633 122.277 120.500 0.241 0.000 2.092 152 R HA 0.023 4.365 4.340 0.002 0.000 0.231 152 R C 0.397 176.655 176.300 -0.069 0.000 1.119 152 R CA 1.073 57.122 56.100 -0.085 0.000 0.970 152 R CB 0.120 30.389 30.300 -0.052 0.000 0.864 152 R HN 0.666 nan 8.270 nan 0.000 0.440 153 R N -2.036 118.453 120.500 -0.018 0.000 2.766 153 R HA 0.076 4.418 4.340 0.002 0.000 0.270 153 R C 0.381 176.281 176.300 -0.665 0.000 1.035 153 R CA -0.602 55.379 56.100 -0.199 0.000 0.911 153 R CB 0.065 30.197 30.300 -0.281 0.000 1.243 153 R HN 0.001 nan 8.270 nan 0.000 0.460 154 Y N -0.441 119.224 120.300 -1.059 0.000 2.181 154 Y HA -0.210 4.341 4.550 0.002 0.000 0.284 154 Y C 1.898 176.988 175.900 -1.350 0.000 1.179 154 Y CA 1.662 58.643 58.100 -1.865 0.000 1.179 154 Y CB -1.096 36.720 38.460 -1.073 0.000 0.973 154 Y HN 0.541 nan 8.280 nan 0.000 0.519 155 H N 0.667 119.197 119.070 -0.900 0.000 2.352 155 H HA -0.156 4.401 4.556 0.002 0.000 0.299 155 H C 1.424 176.561 175.328 -0.318 0.000 1.097 155 H CA 1.748 57.488 56.048 -0.514 0.000 1.311 155 H CB -0.301 29.179 29.762 -0.470 0.000 1.377 155 H HN 0.494 nan 8.280 nan 0.000 0.504 156 D N 0.488 120.813 120.400 -0.124 0.000 2.182 156 D HA -0.160 4.481 4.640 0.002 0.000 0.201 156 D C 1.835 178.349 176.300 0.357 0.000 0.986 156 D CA 1.152 55.254 54.000 0.170 0.000 0.847 156 D CB -0.588 40.423 40.800 0.351 0.000 0.942 156 D HN 0.694 nan 8.370 nan 0.000 0.467 157 W N -0.315 121.053 121.300 0.113 0.000 3.330 157 W HA 0.500 5.161 4.660 0.002 0.000 0.348 157 W C 0.930 177.403 176.519 -0.077 0.000 1.205 157 W CA -0.108 57.194 57.345 -0.072 0.000 1.841 157 W CB -0.371 28.865 29.460 -0.374 0.000 1.084 157 W HN 0.005 nan 8.180 nan 0.000 0.665 158 G N 0.637 109.420 108.800 -0.028 0.000 2.212 158 G HA2 0.047 4.009 3.960 0.002 0.000 0.255 158 G HA3 0.047 4.009 3.960 0.002 0.000 0.255 158 G C 0.121 174.996 174.900 -0.041 0.000 1.062 158 G CA -0.141 44.975 45.100 0.026 0.000 0.815 158 G HN 0.936 nan 8.290 nan 0.000 0.497 159 A N -1.045 121.589 122.820 -0.309 0.000 2.344 159 A HA 0.928 5.249 4.320 0.002 0.000 0.307 159 A C 0.803 178.316 177.584 -0.118 0.000 1.151 159 A CA -0.308 51.600 52.037 -0.214 0.000 0.842 159 A CB 1.128 19.823 19.000 -0.509 0.000 1.350 159 A HN 0.457 nan 8.150 nan 0.000 0.459 160 M N 0.528 120.079 119.600 -0.081 0.000 2.306 160 M HA 0.263 4.744 4.480 0.002 0.000 0.292 160 M C -0.202 175.861 176.300 -0.396 0.000 1.018 160 M CA 0.369 55.618 55.300 -0.085 0.000 1.007 160 M CB -0.655 31.943 32.600 -0.003 0.000 1.510 160 M HN 0.720 nan 8.290 nan 0.000 0.537 161 N N -1.065 117.300 118.700 -0.558 0.000 2.577 161 N HA 0.534 5.275 4.740 0.002 0.000 0.285 161 N C -0.467 174.517 175.510 -0.876 0.000 1.309 161 N CA -0.054 52.564 53.050 -0.719 0.000 0.798 161 N CB 1.990 40.321 38.487 -0.261 0.000 1.463 161 N HN -0.064 nan 8.380 nan 0.000 0.518 162 A N 0.359 122.785 122.820 -0.656 0.000 2.545 162 A HA 0.148 4.469 4.320 0.002 0.000 0.277 162 A C 0.580 178.153 177.584 -0.019 0.000 1.301 162 A CA -0.154 51.670 52.037 -0.355 0.000 0.935 162 A CB -0.072 18.579 19.000 -0.581 0.000 1.093 162 A HN 0.412 nan 8.150 nan 0.000 0.519 163 R N 1.037 121.555 120.500 0.030 0.000 2.316 163 R HA 0.374 4.715 4.340 0.002 0.000 0.314 163 R C -0.867 175.587 176.300 0.256 0.000 1.069 163 R CA 0.391 56.580 56.100 0.147 0.000 0.959 163 R CB 0.486 30.855 30.300 0.116 0.000 0.987 163 R HN 0.368 nan 8.270 nan 0.000 0.446 164 V N 1.254 121.328 119.914 0.266 0.000 2.888 164 V HA 0.743 4.864 4.120 0.002 0.000 0.309 164 V C -0.096 176.091 176.094 0.154 0.000 1.114 164 V CA -0.188 62.259 62.300 0.246 0.000 0.940 164 V CB 1.942 33.926 31.823 0.267 0.000 1.021 164 V HN 0.752 nan 8.190 nan 0.000 0.426 165 G N 2.176 111.024 108.800 0.080 0.000 2.695 165 G HA2 0.584 4.545 3.960 0.002 0.000 0.205 165 G HA3 0.584 4.545 3.960 0.002 0.000 0.205 165 G C 0.246 175.068 174.900 -0.129 0.000 1.068 165 G CA 0.617 45.689 45.100 -0.046 0.000 0.842 165 G HN 1.569 nan 8.290 nan 0.000 0.628 166 S N -0.910 114.774 115.700 -0.026 0.000 2.565 166 S HA 0.740 5.211 4.470 0.002 0.000 0.269 166 S C -1.578 173.155 174.600 0.221 0.000 1.153 166 S CA -0.717 57.471 58.200 -0.019 0.000 0.835 166 S CB 2.115 65.149 63.200 -0.278 0.000 1.122 166 S HN 0.130 nan 8.310 nan 0.000 0.462 167 L N 1.174 122.573 121.223 0.292 0.000 2.386 167 L HA 0.713 5.055 4.340 0.002 0.000 0.271 167 L C -0.487 176.717 176.870 0.557 0.000 0.993 167 L CA -0.510 54.552 54.840 0.371 0.000 0.819 167 L CB 1.939 44.111 42.059 0.189 0.000 1.294 167 L HN 0.728 nan 8.230 nan 0.000 0.414 168 R N 3.277 124.073 120.500 0.494 0.000 2.574 168 R HA 0.480 4.821 4.340 0.002 0.000 0.288 168 R C -1.067 175.189 176.300 -0.073 0.000 1.004 168 R CA -0.854 55.366 56.100 0.200 0.000 0.895 168 R CB 2.116 32.411 30.300 -0.008 0.000 1.191 168 R HN 0.655 nan 8.270 nan 0.000 0.444 169 R N 3.217 123.406 120.500 -0.519 0.000 2.491 169 R HA 0.258 4.599 4.340 0.002 0.000 0.283 169 R C 0.164 176.091 176.300 -0.622 0.000 1.072 169 R CA -0.032 55.386 56.100 -1.138 0.000 1.048 169 R CB 0.641 29.998 30.300 -1.572 0.000 0.983 169 R HN 0.449 nan 8.270 nan 0.000 0.450 170 I N 4.603 124.854 120.570 -0.531 0.000 2.379 170 I HA 0.106 4.277 4.170 0.002 0.000 0.290 170 I C 0.109 176.174 176.117 -0.087 0.000 1.063 170 I CA 0.607 61.704 61.300 -0.338 0.000 1.351 170 I CB 0.378 38.126 38.000 -0.419 0.000 1.410 170 I HN 0.434 nan 8.210 nan 0.000 0.505 171 M N 5.112 124.739 119.600 0.045 0.000 2.484 171 M HA 0.285 4.766 4.480 0.002 0.000 0.289 171 M C -1.018 175.239 176.300 -0.071 0.000 1.206 171 M CA -0.676 54.680 55.300 0.094 0.000 0.892 171 M CB 2.660 35.355 32.600 0.159 0.000 1.712 171 M HN 0.348 nan 8.290 nan 0.000 0.462 172 D N 1.369 121.701 120.400 -0.112 0.000 2.283 172 D HA 0.740 5.382 4.640 0.002 0.000 0.248 172 D C -1.409 174.759 176.300 -0.220 0.000 1.072 172 D CA 0.302 54.085 54.000 -0.363 0.000 0.929 172 D CB 0.824 41.527 40.800 -0.162 0.000 1.182 172 D HN 0.338 nan 8.370 nan 0.000 0.433 173 F N 0.367 120.362 119.950 0.075 0.000 2.900 173 F HA 0.577 5.105 4.527 0.002 0.000 0.321 173 F C -1.703 174.196 175.800 0.164 0.000 1.160 173 F CA -1.202 56.855 58.000 0.096 0.000 0.890 173 F CB 0.387 39.437 39.000 0.083 0.000 1.334 173 F HN 0.356 nan 8.300 nan 0.000 0.459 174 Y N 0.000 120.487 120.300 0.312 0.000 2.660 174 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 174 Y CA 0.000 58.199 58.100 0.165 0.000 1.940 174 Y CB 0.000 38.507 38.460 0.078 0.000 1.050 174 Y HN 0.000 nan 8.280 nan 0.000 0.758