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 1elp_1_B DATA FIRST_RESID 1 DATA SEQUENCE GKITFYEDRG FQGRHYECSS DHSNLQPYLG RCNSVRVDSG CWMIYEQPNY DATA SEQUENCE LGPQYFLRRG DYPDYQQWMG LNDSIRSCRL IPHAGXSHRL RLYEREDYRG DATA SEQUENCE QMIEITEDCS SLQDRFHFNE IHSLNVLEGS WVLYELPNYR GRQYLLRPGE DATA SEQUENCE YRRYHDWGAM NAKVGSLRRV IDIY 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 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 175.131 174.900 0.384 0.000 0.946 1 G CA 0.000 45.230 45.100 0.217 0.000 0.502 2 K N -0.107 120.559 120.400 0.442 0.000 2.571 2 K HA 0.573 4.894 4.320 0.000 0.000 0.252 2 K C -2.050 174.468 176.600 -0.136 0.000 0.956 2 K CA -0.687 55.693 56.287 0.156 0.000 0.822 2 K CB 2.236 34.762 32.500 0.043 0.000 1.286 2 K HN 0.655 nan 8.250 nan 0.000 0.439 3 I N 2.262 122.507 120.570 -0.542 0.000 2.647 3 I HA 0.478 4.648 4.170 0.000 0.000 0.295 3 I C -1.370 174.273 176.117 -0.790 0.000 1.078 3 I CA -0.412 60.330 61.300 -0.930 0.000 1.048 3 I CB 2.535 39.444 38.000 -1.819 0.000 1.239 3 I HN 0.599 nan 8.210 nan 0.000 0.421 4 T N 6.661 120.792 114.554 -0.706 0.000 2.881 4 T HA 0.515 4.865 4.350 0.000 0.000 0.291 4 T C -0.891 173.470 174.700 -0.565 0.000 0.990 4 T CA -0.201 61.575 62.100 -0.540 0.000 0.976 4 T CB 0.678 69.346 68.868 -0.333 0.000 0.970 4 T HN 0.209 nan 8.240 nan 0.000 0.438 5 F N 2.253 122.057 119.950 -0.243 0.000 2.399 5 F HA 0.640 5.167 4.527 0.000 0.000 0.334 5 F C -0.226 175.448 175.800 -0.209 0.000 1.097 5 F CA -0.888 57.052 58.000 -0.100 0.000 1.076 5 F CB 0.982 39.951 39.000 -0.052 0.000 1.162 5 F HN 0.476 nan 8.300 nan 0.000 0.495 6 Y N 0.662 121.182 120.300 0.366 0.000 2.462 6 Y HA 0.270 4.821 4.550 0.000 0.000 0.346 6 Y C 1.045 177.093 175.900 0.247 0.000 0.976 6 Y CA -0.904 57.380 58.100 0.307 0.000 1.044 6 Y CB 1.658 40.283 38.460 0.276 0.000 1.230 6 Y HN 0.626 nan 8.280 nan 0.000 0.455 7 E N 0.738 121.135 120.200 0.328 0.000 2.150 7 E HA -0.090 4.260 4.350 0.000 0.000 0.193 7 E C -0.489 176.231 176.600 0.200 0.000 0.985 7 E CA 1.003 57.535 56.400 0.219 0.000 0.814 7 E CB 0.266 30.057 29.700 0.152 0.000 0.752 7 E HN 0.613 nan 8.360 nan 0.000 0.466 8 D N -0.104 120.420 120.400 0.206 0.000 2.392 8 D HA 0.242 4.882 4.640 0.000 0.000 0.246 8 D C 0.020 176.357 176.300 0.061 0.000 1.013 8 D CA -0.522 53.549 54.000 0.118 0.000 0.993 8 D CB 1.074 41.924 40.800 0.083 0.000 1.219 8 D HN -0.148 nan 8.370 nan 0.000 0.538 9 R N -0.486 120.000 120.500 -0.024 0.000 2.734 9 R HA 0.356 4.696 4.340 0.000 0.000 0.266 9 R C 0.985 177.121 176.300 -0.272 0.000 1.044 9 R CA 0.489 56.502 56.100 -0.145 0.000 1.128 9 R CB 0.162 30.377 30.300 -0.141 0.000 1.010 9 R HN 0.707 nan 8.270 nan 0.000 0.461 10 G N 2.062 110.540 108.800 -0.536 0.000 2.249 10 G HA2 -0.293 3.667 3.960 0.000 0.000 0.273 10 G HA3 -0.293 3.667 3.960 0.000 0.000 0.273 10 G C 0.038 174.470 174.900 -0.781 0.000 1.036 10 G CA 0.289 44.941 45.100 -0.747 0.000 0.824 10 G HN 0.661 nan 8.290 nan 0.000 0.504 11 F N -2.892 116.850 119.950 -0.346 0.000 3.043 11 F HA -0.186 4.341 4.527 0.000 0.000 0.290 11 F C 0.761 176.220 175.800 -0.569 0.000 0.844 11 F CA 0.976 58.429 58.000 -0.912 0.000 1.184 11 F CB -2.250 36.218 39.000 -0.888 0.000 1.246 11 F HN 0.510 nan 8.300 nan 0.000 0.536 12 Q N 0.330 120.068 119.800 -0.103 0.000 2.306 12 Q HA 0.818 5.158 4.340 0.000 0.000 0.269 12 Q C 0.867 177.020 176.000 0.256 0.000 1.053 12 Q CA -0.069 55.788 55.803 0.088 0.000 0.879 12 Q CB 2.114 30.874 28.738 0.037 0.000 1.344 12 Q HN 0.658 nan 8.270 nan 0.000 0.464 13 G N 0.809 109.759 108.800 0.249 0.000 2.660 13 G HA2 -0.220 3.741 3.960 0.000 0.000 0.247 13 G HA3 -0.220 3.741 3.960 0.000 0.000 0.247 13 G C -0.797 174.295 174.900 0.321 0.000 1.328 13 G CA -0.420 44.827 45.100 0.245 0.000 0.884 13 G HN 0.602 nan 8.290 nan 0.000 0.531 14 R N 0.860 121.484 120.500 0.207 0.000 2.491 14 R HA 0.480 4.821 4.340 0.000 0.000 0.283 14 R C 0.640 177.036 176.300 0.159 0.000 1.072 14 R CA 0.170 56.338 56.100 0.114 0.000 1.048 14 R CB 0.125 30.456 30.300 0.051 0.000 0.983 14 R HN 0.923 nan 8.270 nan 0.000 0.450 15 H N 1.864 120.969 119.070 0.059 0.000 2.946 15 H HA 0.343 4.900 4.556 0.000 0.000 0.365 15 H C -1.954 173.404 175.328 0.050 0.000 1.197 15 H CA -0.813 55.170 56.048 -0.109 0.000 1.131 15 H CB 1.534 30.982 29.762 -0.524 0.000 1.849 15 H HN 0.621 nan 8.280 nan 0.000 0.555 16 Y N 0.518 120.799 120.300 -0.032 0.000 2.470 16 Y HA 0.264 4.814 4.550 0.000 0.000 0.341 16 Y C -1.016 174.900 175.900 0.026 0.000 1.021 16 Y CA -0.770 57.332 58.100 0.003 0.000 1.025 16 Y CB 2.135 40.605 38.460 0.017 0.000 1.266 16 Y HN 0.852 nan 8.280 nan 0.000 0.448 17 E N 5.216 125.114 120.200 -0.502 0.000 2.171 17 E HA 0.568 4.919 4.350 0.000 0.000 0.271 17 E C -1.510 174.774 176.600 -0.526 0.000 0.916 17 E CA -0.442 55.702 56.400 -0.427 0.000 0.774 17 E CB 1.006 30.552 29.700 -0.257 0.000 1.128 17 E HN 0.756 nan 8.360 nan 0.000 0.403 18 C N 2.151 121.254 119.300 -0.329 0.000 2.561 18 C HA 0.404 4.864 4.460 0.000 0.000 0.319 18 C C 0.872 175.865 174.990 0.005 0.000 1.198 18 C CA -0.486 58.457 59.018 -0.125 0.000 1.665 18 C CB 1.602 29.383 27.740 0.069 0.000 2.258 18 C HN 0.836 nan 8.230 nan 0.000 0.493 19 S N 0.042 115.841 115.700 0.165 0.000 2.603 19 S HA 0.243 4.714 4.470 0.000 0.000 0.232 19 S C 0.228 175.045 174.600 0.362 0.000 1.016 19 S CA -0.115 58.242 58.200 0.260 0.000 0.976 19 S CB -0.021 63.249 63.200 0.118 0.000 0.921 19 S HN 0.977 nan 8.310 nan 0.000 0.516 20 S N 0.439 116.405 115.700 0.444 0.000 2.727 20 S HA 0.534 5.005 4.470 0.000 0.000 0.278 20 S C -2.134 172.722 174.600 0.427 0.000 1.186 20 S CA -0.902 57.488 58.200 0.317 0.000 0.836 20 S CB 0.428 63.726 63.200 0.162 0.000 1.186 20 S HN -0.070 nan 8.310 nan 0.000 0.499 21 D N 1.648 122.210 120.400 0.269 0.000 2.443 21 D HA 0.337 4.977 4.640 0.000 0.000 0.239 21 D C -0.506 176.014 176.300 0.366 0.000 1.136 21 D CA 0.962 55.166 54.000 0.341 0.000 0.879 21 D CB 0.016 40.938 40.800 0.204 0.000 1.195 21 D HN 0.525 nan 8.370 nan 0.000 0.443 22 H N 0.390 119.696 119.070 0.394 0.000 3.108 22 H HA 0.129 4.685 4.556 0.000 0.000 0.329 22 H C 0.320 175.748 175.328 0.167 0.000 0.978 22 H CA -0.386 55.816 56.048 0.257 0.000 1.413 22 H CB 1.307 31.209 29.762 0.234 0.000 1.670 22 H HN 0.278 nan 8.280 nan 0.000 0.512 23 S N 2.857 118.650 115.700 0.154 0.000 2.522 23 S HA -0.034 4.436 4.470 0.000 0.000 0.227 23 S C 0.572 175.112 174.600 -0.101 0.000 0.986 23 S CA 0.124 58.214 58.200 -0.182 0.000 0.929 23 S CB 0.120 63.209 63.200 -0.185 0.000 0.769 23 S HN 0.545 nan 8.310 nan 0.000 0.529 24 N N -0.044 118.766 118.700 0.183 0.000 2.875 24 N HA 0.290 5.030 4.740 0.000 0.000 0.253 24 N C -0.224 175.353 175.510 0.111 0.000 1.296 24 N CA -0.283 52.814 53.050 0.077 0.000 0.816 24 N CB 0.519 39.031 38.487 0.042 0.000 1.504 24 N HN 0.132 nan 8.380 nan 0.000 0.582 25 L N 1.947 123.108 121.223 -0.104 0.000 2.418 25 L HA 0.022 4.362 4.340 0.000 0.000 0.218 25 L C 2.009 178.785 176.870 -0.157 0.000 1.125 25 L CA 0.452 55.116 54.840 -0.293 0.000 0.835 25 L CB -0.069 41.725 42.059 -0.442 0.000 0.953 25 L HN 0.582 nan 8.230 nan 0.000 0.454 26 Q N 0.489 120.220 119.800 -0.115 0.000 2.165 26 Q HA -0.261 4.079 4.340 0.000 0.000 0.215 26 Q C -0.529 175.362 176.000 -0.181 0.000 1.010 26 Q CA 1.938 57.667 55.803 -0.123 0.000 0.896 26 Q CB -1.468 27.216 28.738 -0.090 0.000 0.956 26 Q HN 0.490 nan 8.270 nan 0.000 0.413 27 P HA -0.089 nan 4.420 nan 0.000 0.236 27 P C 0.144 177.052 177.300 -0.654 0.000 1.177 27 P CA 1.119 63.941 63.100 -0.463 0.000 0.773 27 P CB 0.004 31.325 31.700 -0.632 0.000 0.878 28 Y N -1.943 118.120 120.300 -0.396 0.000 2.444 28 Y HA 0.424 4.975 4.550 0.000 0.000 0.249 28 Y C 0.619 176.281 175.900 -0.396 0.000 1.134 28 Y CA -0.350 57.426 58.100 -0.540 0.000 1.261 28 Y CB 0.653 38.260 38.460 -1.422 0.000 1.143 28 Y HN -0.189 nan 8.280 nan 0.000 0.523 29 L N -0.894 120.226 121.223 -0.172 0.000 2.562 29 L HA 0.553 4.894 4.340 0.000 0.000 0.266 29 L C 0.728 177.545 176.870 -0.088 0.000 0.949 29 L CA -0.208 54.572 54.840 -0.099 0.000 0.879 29 L CB 1.611 43.594 42.059 -0.127 0.000 1.278 29 L HN 0.023 nan 8.230 nan 0.000 0.404 30 G N 3.734 112.507 108.800 -0.044 0.000 2.511 30 G HA2 0.168 4.128 3.960 0.000 0.000 0.217 30 G HA3 0.168 4.128 3.960 0.000 0.000 0.217 30 G C 0.303 175.195 174.900 -0.013 0.000 1.133 30 G CA 0.650 45.729 45.100 -0.034 0.000 0.792 30 G HN 0.678 nan 8.290 nan 0.000 0.539 31 R N -2.926 117.582 120.500 0.013 0.000 2.765 31 R HA 0.484 4.825 4.340 0.000 0.000 0.277 31 R C -2.200 174.157 176.300 0.095 0.000 1.028 31 R CA -0.929 55.195 56.100 0.041 0.000 0.860 31 R CB 0.279 30.613 30.300 0.056 0.000 1.270 31 R HN 0.008 nan 8.270 nan 0.000 0.484 32 C N 1.613 121.001 119.300 0.147 0.000 2.383 32 C HA 0.541 5.001 4.460 0.000 0.000 0.330 32 C C -0.334 174.898 174.990 0.404 0.000 1.168 32 C CA -0.492 58.688 59.018 0.270 0.000 1.374 32 C CB 0.676 28.550 27.740 0.223 0.000 2.014 32 C HN 0.908 nan 8.230 nan 0.000 0.439 33 N N 1.813 120.745 118.700 0.388 0.000 2.197 33 N HA 0.132 4.872 4.740 0.000 0.000 0.201 33 N C -0.166 175.522 175.510 0.298 0.000 1.148 33 N CA 0.402 53.649 53.050 0.328 0.000 0.883 33 N CB 0.874 39.476 38.487 0.192 0.000 1.012 33 N HN 0.865 nan 8.380 nan 0.000 0.507 34 S N -0.884 115.096 115.700 0.466 0.000 2.565 34 S HA 0.648 5.118 4.470 0.000 0.000 0.269 34 S C -1.037 173.984 174.600 0.702 0.000 1.153 34 S CA -0.683 57.789 58.200 0.454 0.000 0.835 34 S CB 2.478 65.640 63.200 -0.063 0.000 1.122 34 S HN -0.206 nan 8.310 nan 0.000 0.462 35 V N 1.141 121.505 119.914 0.750 0.000 2.932 35 V HA 0.619 4.740 4.120 0.000 0.000 0.307 35 V C -0.930 175.454 176.094 0.484 0.000 1.147 35 V CA -0.695 61.880 62.300 0.458 0.000 0.951 35 V CB 2.311 34.152 31.823 0.031 0.000 1.031 35 V HN 0.929 nan 8.190 nan 0.000 0.426 36 R N 2.206 122.830 120.500 0.205 0.000 2.337 36 R HA 0.617 4.957 4.340 0.000 0.000 0.319 36 R C -1.382 174.865 176.300 -0.088 0.000 0.954 36 R CA -0.459 55.652 56.100 0.019 0.000 0.840 36 R CB 1.952 32.183 30.300 -0.115 0.000 1.164 36 R HN 0.513 nan 8.270 nan 0.000 0.472 37 V N 4.117 124.029 119.914 -0.005 0.000 2.348 37 V HA 0.052 4.172 4.120 0.000 0.000 0.270 37 V C 0.654 176.739 176.094 -0.015 0.000 1.037 37 V CA -0.086 62.170 62.300 -0.074 0.000 0.872 37 V CB 1.367 33.203 31.823 0.022 0.000 1.002 37 V HN 0.730 nan 8.190 nan 0.000 0.464 38 D N 2.409 122.785 120.400 -0.040 0.000 2.137 38 D HA 0.029 4.669 4.640 0.000 0.000 0.202 38 D C 0.767 177.098 176.300 0.051 0.000 0.970 38 D CA 1.301 55.295 54.000 -0.010 0.000 0.837 38 D CB 0.392 41.173 40.800 -0.031 0.000 0.981 38 D HN 0.726 nan 8.370 nan 0.000 0.475 39 S N -1.824 113.951 115.700 0.125 0.000 2.552 39 S HA 0.619 5.089 4.470 0.000 0.000 0.272 39 S C -0.146 174.619 174.600 0.274 0.000 1.150 39 S CA -0.516 57.770 58.200 0.144 0.000 0.849 39 S CB 1.572 64.828 63.200 0.094 0.000 1.113 39 S HN 0.455 nan 8.310 nan 0.000 0.458 40 G N -0.197 108.691 108.800 0.147 0.000 2.712 40 G HA2 0.054 4.015 3.960 0.000 0.000 0.683 40 G HA3 0.054 4.015 3.960 0.000 0.000 0.683 40 G C -0.486 174.449 174.900 0.059 0.000 1.320 40 G CA -0.534 44.582 45.100 0.026 0.000 0.847 40 G HN 1.670 nan 8.290 nan 0.000 0.553 41 C N -0.150 119.087 119.300 -0.105 0.000 2.351 41 C HA 0.841 5.301 4.460 0.000 0.000 0.326 41 C C -0.167 174.760 174.990 -0.105 0.000 1.272 41 C CA -0.425 58.619 59.018 0.043 0.000 1.650 41 C CB 0.207 28.123 27.740 0.293 0.000 2.257 41 C HN 0.612 nan 8.230 nan 0.000 0.505 42 W N 2.254 123.565 121.300 0.019 0.000 2.864 42 W HA 0.707 5.367 4.660 0.000 0.000 0.343 42 W C -0.219 176.349 176.519 0.082 0.000 1.109 42 W CA -0.777 56.599 57.345 0.051 0.000 1.192 42 W CB 1.367 30.803 29.460 -0.040 0.000 1.426 42 W HN 0.326 nan 8.180 nan 0.000 0.529 43 M N 4.573 124.376 119.600 0.338 0.000 2.243 43 M HA 0.556 5.036 4.480 0.000 0.000 0.324 43 M C -0.857 175.474 176.300 0.051 0.000 1.031 43 M CA -0.753 54.623 55.300 0.127 0.000 0.949 43 M CB 0.945 33.557 32.600 0.020 0.000 1.615 43 M HN 0.330 nan 8.290 nan 0.000 0.430 44 I N 1.232 121.745 120.570 -0.095 0.000 2.603 44 I HA 0.652 4.822 4.170 0.000 0.000 0.300 44 I C -1.742 174.295 176.117 -0.133 0.000 1.017 44 I CA -0.833 60.477 61.300 0.017 0.000 1.098 44 I CB 1.772 39.761 38.000 -0.018 0.000 1.279 44 I HN 0.603 nan 8.210 nan 0.000 0.437 45 Y N 2.053 122.455 120.300 0.170 0.000 2.485 45 Y HA 0.306 4.856 4.550 0.000 0.000 0.345 45 Y C 1.134 177.104 175.900 0.116 0.000 0.998 45 Y CA -0.824 57.368 58.100 0.153 0.000 1.059 45 Y CB 1.701 40.260 38.460 0.165 0.000 1.234 45 Y HN 0.688 nan 8.280 nan 0.000 0.461 46 E N 0.624 121.000 120.200 0.293 0.000 2.153 46 E HA -0.114 4.237 4.350 0.000 0.000 0.194 46 E C -0.266 176.407 176.600 0.121 0.000 0.988 46 E CA 1.001 57.520 56.400 0.197 0.000 0.811 46 E CB 0.398 30.218 29.700 0.200 0.000 0.746 46 E HN 0.573 nan 8.360 nan 0.000 0.466 47 Q N -0.092 119.778 119.800 0.116 0.000 2.445 47 Q HA 0.425 4.765 4.340 0.000 0.000 0.281 47 Q C -2.499 173.487 176.000 -0.024 0.000 1.101 47 Q CA -2.448 53.377 55.803 0.036 0.000 0.833 47 Q CB 1.237 29.995 28.738 0.034 0.000 1.416 47 Q HN -0.006 nan 8.270 nan 0.000 0.451 48 P HA 0.092 nan 4.420 nan 0.000 0.273 48 P C -0.400 176.746 177.300 -0.256 0.000 1.250 48 P CA -0.094 62.913 63.100 -0.156 0.000 0.793 48 P CB 0.348 31.984 31.700 -0.106 0.000 1.011 49 N N -0.782 117.640 118.700 -0.464 0.000 2.735 49 N HA -0.225 4.516 4.740 0.000 0.000 0.248 49 N C -0.644 174.540 175.510 -0.543 0.000 1.083 49 N CA 0.801 53.520 53.050 -0.552 0.000 0.703 49 N CB -2.116 36.246 38.487 -0.209 0.000 1.005 49 N HN 0.544 nan 8.380 nan 0.000 0.550 50 Y N -3.458 116.649 120.300 -0.321 0.000 3.589 50 Y HA -0.267 4.283 4.550 0.000 0.000 0.218 50 Y C 0.654 176.251 175.900 -0.504 0.000 1.234 50 Y CA 0.500 58.102 58.100 -0.830 0.000 1.576 50 Y CB -2.224 35.729 38.460 -0.844 0.000 1.487 50 Y HN 0.336 nan 8.280 nan 0.000 0.616 51 L N -0.495 120.665 121.223 -0.106 0.000 2.313 51 L HA 0.903 5.243 4.340 0.000 0.000 0.268 51 L C 1.100 178.075 176.870 0.174 0.000 1.010 51 L CA -0.445 54.433 54.840 0.064 0.000 0.814 51 L CB 1.774 43.849 42.059 0.026 0.000 1.304 51 L HN 0.430 nan 8.230 nan 0.000 0.441 52 G N 1.074 109.980 108.800 0.176 0.000 2.698 52 G HA2 -0.141 3.819 3.960 0.000 0.000 0.225 52 G HA3 -0.141 3.819 3.960 0.000 0.000 0.225 52 G C -2.996 172.020 174.900 0.193 0.000 1.345 52 G CA -1.165 44.038 45.100 0.172 0.000 0.871 52 G HN 0.388 nan 8.290 nan 0.000 0.540 53 P HA 0.325 nan 4.420 nan 0.000 0.269 53 P C -0.261 176.921 177.300 -0.197 0.000 1.209 53 P CA 0.321 63.377 63.100 -0.074 0.000 0.776 53 P CB 0.540 32.217 31.700 -0.038 0.000 0.876 54 Q N 1.352 120.834 119.800 -0.529 0.000 2.387 54 Q HA 0.642 4.982 4.340 0.000 0.000 0.273 54 Q C -1.296 174.179 176.000 -0.875 0.000 1.089 54 Q CA -0.725 54.705 55.803 -0.621 0.000 0.824 54 Q CB 1.951 30.371 28.738 -0.529 0.000 1.367 54 Q HN 0.381 nan 8.270 nan 0.000 0.443 55 Y N 0.366 120.568 120.300 -0.162 0.000 2.433 55 Y HA 0.419 4.970 4.550 0.000 0.000 0.337 55 Y C -1.083 174.818 175.900 0.002 0.000 1.026 55 Y CA -1.066 57.026 58.100 -0.013 0.000 1.037 55 Y CB 1.540 40.042 38.460 0.071 0.000 1.245 55 Y HN 0.639 nan 8.280 nan 0.000 0.443 56 F N 4.306 124.305 119.950 0.083 0.000 2.396 56 F HA 0.738 5.265 4.527 0.000 0.000 0.343 56 F C -1.603 174.265 175.800 0.112 0.000 1.104 56 F CA -1.097 56.942 58.000 0.065 0.000 1.161 56 F CB 0.469 39.508 39.000 0.064 0.000 1.146 56 F HN 0.338 nan 8.300 nan 0.000 0.522 57 L N 6.063 126.950 121.223 -0.560 0.000 2.409 57 L HA 0.617 4.958 4.340 0.000 0.000 0.262 57 L C -0.500 176.051 176.870 -0.531 0.000 0.992 57 L CA -0.559 53.989 54.840 -0.487 0.000 0.817 57 L CB 2.515 44.270 42.059 -0.507 0.000 1.350 57 L HN 0.623 nan 8.230 nan 0.000 0.411 58 R N 0.017 120.375 120.500 -0.237 0.000 2.950 58 R HA 0.605 4.946 4.340 0.000 0.000 0.253 58 R C -0.672 175.692 176.300 0.107 0.000 1.168 58 R CA -1.259 54.779 56.100 -0.102 0.000 1.014 58 R CB 1.141 31.367 30.300 -0.123 0.000 1.228 58 R HN 0.501 nan 8.270 nan 0.000 0.487 59 R N 0.480 121.035 120.500 0.092 0.000 2.478 59 R HA 0.082 4.422 4.340 0.000 0.000 0.281 59 R C -0.327 176.010 176.300 0.062 0.000 0.939 59 R CA 1.606 57.757 56.100 0.086 0.000 1.120 59 R CB -0.288 30.047 30.300 0.059 0.000 0.885 59 R HN 0.817 nan 8.270 nan 0.000 0.415 60 G N 2.650 111.479 108.800 0.049 0.000 2.369 60 G HA2 0.031 3.991 3.960 0.000 0.000 0.293 60 G HA3 0.031 3.991 3.960 0.000 0.000 0.293 60 G C -2.011 172.849 174.900 -0.065 0.000 1.301 60 G CA -0.751 44.307 45.100 -0.069 0.000 0.913 60 G HN 0.572 nan 8.290 nan 0.000 0.540 61 D N -0.128 120.159 120.400 -0.189 0.000 2.278 61 D HA 0.594 5.234 4.640 0.000 0.000 0.245 61 D C -1.140 175.136 176.300 -0.041 0.000 1.052 61 D CA 0.091 54.072 54.000 -0.032 0.000 0.834 61 D CB 1.380 42.160 40.800 -0.033 0.000 1.194 61 D HN 0.304 nan 8.370 nan 0.000 0.481 62 Y N 1.988 122.535 120.300 0.411 0.000 2.686 62 Y HA 0.248 4.798 4.550 0.000 0.000 0.331 62 Y C -1.519 174.541 175.900 0.268 0.000 0.996 62 Y CA -1.967 56.350 58.100 0.362 0.000 1.293 62 Y CB 1.823 40.615 38.460 0.553 0.000 1.092 62 Y HN 0.222 nan 8.280 nan 0.000 0.524 63 P HA -0.033 nan 4.420 nan 0.000 0.237 63 P C -0.584 176.524 177.300 -0.320 0.000 1.178 63 P CA 1.029 63.879 63.100 -0.417 0.000 0.766 63 P CB 0.504 31.987 31.700 -0.363 0.000 0.876 64 D N -2.285 117.986 120.400 -0.216 0.000 2.623 64 D HA -0.018 4.623 4.640 0.000 0.000 0.241 64 D C 0.682 176.585 176.300 -0.662 0.000 1.241 64 D CA -1.084 52.698 54.000 -0.364 0.000 0.788 64 D CB -0.211 40.339 40.800 -0.418 0.000 1.413 64 D HN -0.105 nan 8.370 nan 0.000 0.429 65 Y N -0.048 119.745 120.300 -0.845 0.000 2.384 65 Y HA -0.059 4.491 4.550 0.000 0.000 0.289 65 Y C 1.619 176.706 175.900 -1.355 0.000 1.152 65 Y CA 1.391 58.467 58.100 -1.707 0.000 1.258 65 Y CB -0.828 37.110 38.460 -0.869 0.000 0.979 65 Y HN 0.343 nan 8.280 nan 0.000 0.549 66 Q N 0.257 119.529 119.800 -0.881 0.000 2.297 66 Q HA -0.151 4.190 4.340 0.000 0.000 0.204 66 Q C 2.171 177.980 176.000 -0.318 0.000 0.962 66 Q CA 1.378 56.889 55.803 -0.486 0.000 0.879 66 Q CB -0.227 28.262 28.738 -0.415 0.000 0.947 66 Q HN 0.529 nan 8.270 nan 0.000 0.462 67 Q N -0.498 119.119 119.800 -0.306 0.000 2.226 67 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 67 Q C 0.535 176.697 176.000 0.271 0.000 0.975 67 Q CA 1.351 57.155 55.803 0.001 0.000 0.866 67 Q CB -0.014 28.790 28.738 0.110 0.000 0.915 67 Q HN 0.687 nan 8.270 nan 0.000 0.440 68 W N -2.140 119.303 121.300 0.238 0.000 3.223 68 W HA 0.447 5.107 4.660 0.000 0.000 0.389 68 W C -0.373 176.205 176.519 0.099 0.000 1.118 68 W CA -0.485 56.956 57.345 0.159 0.000 1.902 68 W CB -0.603 28.797 29.460 -0.100 0.000 1.094 68 W HN -0.030 nan 8.180 nan 0.000 0.666 69 M N 1.023 120.676 119.600 0.087 0.000 2.751 69 M HA -0.166 4.315 4.480 0.000 0.000 0.199 69 M C 0.930 177.248 176.300 0.030 0.000 0.550 69 M CA 1.254 56.622 55.300 0.113 0.000 0.640 69 M CB -1.788 30.985 32.600 0.288 0.000 2.351 69 M HN 0.380 nan 8.290 nan 0.000 0.613 70 G N 0.128 108.714 108.800 -0.357 0.000 2.527 70 G HA2 0.426 4.386 3.960 0.000 0.000 0.248 70 G HA3 0.426 4.386 3.960 0.000 0.000 0.248 70 G C 0.718 175.563 174.900 -0.091 0.000 1.231 70 G CA -0.669 44.102 45.100 -0.548 0.000 0.838 70 G HN 0.377 nan 8.290 nan 0.000 0.570 71 L N 0.649 121.825 121.223 -0.078 0.000 2.249 71 L HA 0.163 4.503 4.340 0.000 0.000 0.207 71 L C 0.922 177.602 176.870 -0.317 0.000 1.090 71 L CA 0.715 55.553 54.840 -0.004 0.000 0.802 71 L CB -0.368 41.775 42.059 0.141 0.000 0.947 71 L HN 0.822 nan 8.230 nan 0.000 0.453 72 N N -2.532 115.746 118.700 -0.703 0.000 3.378 72 N HA 0.049 4.789 4.740 0.000 0.000 0.294 72 N C -0.856 174.096 175.510 -0.930 0.000 1.544 72 N CA -0.480 51.977 53.050 -0.989 0.000 0.872 72 N CB 0.072 38.362 38.487 -0.329 0.000 1.670 72 N HN -0.132 nan 8.380 nan 0.000 0.551 73 D N -1.794 118.325 120.400 -0.469 0.000 2.460 73 D HA 0.170 4.811 4.640 0.000 0.000 0.229 73 D C -0.678 175.631 176.300 0.014 0.000 1.170 73 D CA -0.160 53.785 54.000 -0.091 0.000 0.827 73 D CB -0.359 40.479 40.800 0.064 0.000 0.973 73 D HN 0.339 nan 8.370 nan 0.000 0.496 74 S N 0.331 116.022 115.700 -0.015 0.000 2.410 74 S HA 0.508 4.978 4.470 0.000 0.000 0.304 74 S C -0.898 173.733 174.600 0.052 0.000 1.095 74 S CA -0.662 57.549 58.200 0.019 0.000 1.089 74 S CB -0.157 63.051 63.200 0.014 0.000 0.968 74 S HN 0.139 nan 8.310 nan 0.000 0.480 75 I N 5.407 125.981 120.570 0.007 0.000 2.468 75 I HA 0.476 4.646 4.170 0.000 0.000 0.284 75 I C 0.570 176.609 176.117 -0.130 0.000 1.038 75 I CA -0.045 61.230 61.300 -0.043 0.000 1.083 75 I CB 1.746 39.679 38.000 -0.112 0.000 1.223 75 I HN 0.632 nan 8.210 nan 0.000 0.443 76 R N 2.632 123.096 120.500 -0.062 0.000 2.476 76 R HA 0.383 4.723 4.340 0.000 0.000 0.276 76 R C -0.208 176.038 176.300 -0.089 0.000 0.941 76 R CA 0.024 56.066 56.100 -0.095 0.000 1.088 76 R CB 0.619 30.885 30.300 -0.057 0.000 1.216 76 R HN 0.685 nan 8.270 nan 0.000 0.533 77 S N -0.840 114.854 115.700 -0.011 0.000 2.587 77 S HA 0.612 5.082 4.470 0.000 0.000 0.269 77 S C -0.919 173.900 174.600 0.365 0.000 1.154 77 S CA -1.052 57.194 58.200 0.077 0.000 0.824 77 S CB 1.565 64.651 63.200 -0.190 0.000 1.118 77 S HN 0.230 nan 8.310 nan 0.000 0.462 78 C N 0.080 119.723 119.300 0.572 0.000 3.170 78 C HA 0.893 5.353 4.460 0.000 0.000 0.319 78 C C -1.053 174.393 174.990 0.759 0.000 1.260 78 C CA -0.789 58.657 59.018 0.713 0.000 1.374 78 C CB 0.934 29.057 27.740 0.638 0.000 1.739 78 C HN 1.144 nan 8.230 nan 0.000 0.479 79 R N 1.055 121.936 120.500 0.635 0.000 2.621 79 R HA 0.673 5.014 4.340 0.000 0.000 0.292 79 R C -1.262 175.122 176.300 0.139 0.000 0.969 79 R CA -0.745 55.544 56.100 0.315 0.000 0.887 79 R CB 1.977 32.360 30.300 0.139 0.000 1.180 79 R HN 0.765 nan 8.270 nan 0.000 0.450 80 L N 5.118 126.178 121.223 -0.272 0.000 2.315 80 L HA 0.362 4.702 4.340 0.000 0.000 0.283 80 L C -0.759 175.862 176.870 -0.414 0.000 1.089 80 L CA 0.122 54.386 54.840 -0.959 0.000 0.833 80 L CB 0.490 41.925 42.059 -1.040 0.000 1.170 80 L HN 0.526 nan 8.230 nan 0.000 0.442 81 I N 7.766 128.148 120.570 -0.313 0.000 2.301 81 I HA 0.302 4.472 4.170 0.000 0.000 0.292 81 I C -1.779 174.280 176.117 -0.097 0.000 1.046 81 I CA -1.797 59.437 61.300 -0.111 0.000 1.282 81 I CB 0.445 38.454 38.000 0.015 0.000 1.409 81 I HN 0.548 nan 8.210 nan 0.000 0.484 82 P HA -0.061 nan 4.420 nan 0.000 0.266 82 P C -0.449 176.862 177.300 0.018 0.000 1.193 82 P CA 0.099 63.174 63.100 -0.042 0.000 0.770 82 P CB 0.320 31.993 31.700 -0.046 0.000 0.836 83 H N 1.394 120.429 119.070 -0.057 0.000 2.690 83 H HA 0.535 5.091 4.556 0.000 0.000 0.365 83 H C -0.496 174.797 175.328 -0.058 0.000 1.142 83 H CA -0.094 55.933 56.048 -0.035 0.000 1.417 83 H CB 0.356 30.106 29.762 -0.019 0.000 1.446 83 H HN 0.475 nan 8.280 nan 0.000 0.599 84 A N 3.137 125.556 122.820 -0.668 0.000 2.386 84 A HA 0.629 4.949 4.320 0.000 0.000 0.311 84 A C 0.334 177.501 177.584 -0.696 0.000 1.068 84 A CA -0.214 51.482 52.037 -0.568 0.000 0.743 84 A CB 1.120 19.726 19.000 -0.658 0.000 1.258 84 A HN 0.925 nan 8.150 nan 0.000 0.429 88 H N 1.246 120.270 119.070 -0.077 0.000 2.689 88 H HA 0.750 5.306 4.556 0.000 0.000 0.346 88 H C -0.145 175.340 175.328 0.261 0.000 1.037 88 H CA -0.530 55.512 56.048 -0.010 0.000 1.234 88 H CB 1.575 31.063 29.762 -0.456 0.000 1.572 88 H HN 0.553 nan 8.280 nan 0.000 0.524 89 R N 3.365 124.162 120.500 0.495 0.000 2.566 89 R HA 0.611 4.951 4.340 0.000 0.000 0.271 89 R C -2.082 174.343 176.300 0.208 0.000 1.071 89 R CA -0.846 55.456 56.100 0.337 0.000 0.915 89 R CB 1.847 32.234 30.300 0.145 0.000 1.228 89 R HN 0.673 nan 8.270 nan 0.000 0.449 90 L N 3.139 124.337 121.223 -0.041 0.000 2.505 90 L HA 0.633 4.973 4.340 0.000 0.000 0.259 90 L C -1.540 175.156 176.870 -0.290 0.000 0.952 90 L CA -0.793 53.864 54.840 -0.304 0.000 0.840 90 L CB 2.248 43.751 42.059 -0.928 0.000 1.358 90 L HN 0.690 nan 8.230 nan 0.000 0.409 91 R N 5.072 125.441 120.500 -0.218 0.000 2.387 91 R HA 0.640 4.980 4.340 0.000 0.000 0.314 91 R C -1.403 174.735 176.300 -0.270 0.000 0.958 91 R CA -0.713 55.224 56.100 -0.272 0.000 0.846 91 R CB 1.759 31.955 30.300 -0.174 0.000 1.147 91 R HN 0.553 nan 8.270 nan 0.000 0.447 92 L N 3.658 124.646 121.223 -0.392 0.000 2.307 92 L HA 0.519 4.860 4.340 0.000 0.000 0.284 92 L C -0.858 175.874 176.870 -0.230 0.000 1.023 92 L CA -0.908 53.806 54.840 -0.210 0.000 0.810 92 L CB 0.794 42.703 42.059 -0.249 0.000 1.231 92 L HN 0.467 nan 8.230 nan 0.000 0.423 93 Y N 0.025 120.428 120.300 0.172 0.000 2.485 93 Y HA 0.145 4.695 4.550 0.001 0.000 0.345 93 Y C 1.068 177.117 175.900 0.249 0.000 0.998 93 Y CA -0.807 57.425 58.100 0.221 0.000 1.059 93 Y CB 1.883 40.463 38.460 0.201 0.000 1.234 93 Y HN 0.691 nan 8.280 nan 0.000 0.461 94 E N 1.374 121.786 120.200 0.353 0.000 2.208 94 E HA 0.022 4.373 4.350 0.000 0.000 0.193 94 E C -0.036 176.638 176.600 0.123 0.000 0.988 94 E CA 0.793 57.258 56.400 0.107 0.000 0.828 94 E CB 0.417 30.071 29.700 -0.076 0.000 0.763 94 E HN 0.524 nan 8.360 nan 0.000 0.478 95 R N 0.507 121.094 120.500 0.146 0.000 2.939 95 R HA 0.327 4.667 4.340 0.000 0.000 0.254 95 R C -0.300 176.040 176.300 0.066 0.000 1.123 95 R CA -0.882 55.235 56.100 0.029 0.000 1.020 95 R CB 1.179 31.465 30.300 -0.023 0.000 1.206 95 R HN 0.083 nan 8.270 nan 0.000 0.491 96 E N 1.359 121.552 120.200 -0.012 0.000 2.408 96 E HA -0.063 4.287 4.350 0.000 0.000 0.259 96 E C -0.587 175.876 176.600 -0.229 0.000 1.110 96 E CA 0.438 56.795 56.400 -0.071 0.000 0.929 96 E CB 0.288 29.942 29.700 -0.077 0.000 0.971 96 E HN 0.472 nan 8.360 nan 0.000 0.438 97 D N 1.312 121.437 120.400 -0.458 0.000 2.723 97 D HA -0.229 4.411 4.640 0.000 0.000 0.236 97 D C -0.668 175.203 176.300 -0.714 0.000 1.138 97 D CA 0.855 54.451 54.000 -0.673 0.000 0.676 97 D CB -1.370 39.274 40.800 -0.260 0.000 1.069 97 D HN 0.576 nan 8.370 nan 0.000 0.430 98 Y N -3.192 116.877 120.300 -0.385 0.000 3.929 98 Y HA -0.342 4.208 4.550 0.000 0.000 0.225 98 Y C 1.025 176.721 175.900 -0.340 0.000 1.200 98 Y CA 1.042 58.609 58.100 -0.888 0.000 1.791 98 Y CB -2.374 35.578 38.460 -0.847 0.000 1.561 98 Y HN 0.286 nan 8.280 nan 0.000 0.657 99 R N -0.131 120.353 120.500 -0.025 0.000 2.875 99 R HA 0.742 5.082 4.340 0.000 0.000 0.251 99 R C 1.045 177.459 176.300 0.191 0.000 1.123 99 R CA -0.528 55.630 56.100 0.097 0.000 1.064 99 R CB 1.588 31.899 30.300 0.020 0.000 1.205 99 R HN 0.437 nan 8.270 nan 0.000 0.503 100 G N 0.596 109.485 108.800 0.149 0.000 2.693 100 G HA2 -0.262 3.698 3.960 0.000 0.000 0.226 100 G HA3 -0.262 3.698 3.960 0.000 0.000 0.226 100 G C -0.728 174.289 174.900 0.196 0.000 1.354 100 G CA -0.625 44.558 45.100 0.138 0.000 0.873 100 G HN 0.484 nan 8.290 nan 0.000 0.562 101 Q N -0.222 119.690 119.800 0.188 0.000 2.361 101 Q HA 0.329 4.669 4.340 0.000 0.000 0.276 101 Q C 0.390 176.495 176.000 0.175 0.000 1.022 101 Q CA 0.288 56.208 55.803 0.195 0.000 0.898 101 Q CB 0.666 29.561 28.738 0.261 0.000 1.246 101 Q HN 0.618 nan 8.270 nan 0.000 0.410 102 M N 4.619 124.222 119.600 0.004 0.000 2.456 102 M HA 0.474 4.954 4.480 0.000 0.000 0.324 102 M C -1.557 174.560 176.300 -0.305 0.000 1.124 102 M CA -0.624 54.501 55.300 -0.292 0.000 0.959 102 M CB 1.156 33.526 32.600 -0.382 0.000 1.692 102 M HN 0.604 nan 8.290 nan 0.000 0.444 103 I N 2.972 123.266 120.570 -0.460 0.000 2.466 103 I HA 0.327 4.497 4.170 0.000 0.000 0.289 103 I C -0.695 175.131 176.117 -0.485 0.000 1.026 103 I CA -0.498 60.483 61.300 -0.532 0.000 1.078 103 I CB 2.358 39.804 38.000 -0.922 0.000 1.249 103 I HN 0.688 nan 8.210 nan 0.000 0.429 104 E N 7.455 127.448 120.200 -0.344 0.000 2.179 104 E HA 0.660 5.010 4.350 0.000 0.000 0.275 104 E C -1.348 175.139 176.600 -0.188 0.000 0.945 104 E CA -0.701 55.549 56.400 -0.251 0.000 0.792 104 E CB 1.912 31.523 29.700 -0.149 0.000 1.125 104 E HN 0.560 nan 8.360 nan 0.000 0.397 105 I N 0.775 121.250 120.570 -0.158 0.000 2.730 105 I HA 0.540 4.710 4.170 0.000 0.000 0.298 105 I C 0.079 176.295 176.117 0.165 0.000 1.089 105 I CA -0.595 60.694 61.300 -0.017 0.000 1.041 105 I CB 2.452 40.424 38.000 -0.047 0.000 1.235 105 I HN 0.484 nan 8.210 nan 0.000 0.423 106 T N -0.759 113.951 114.554 0.259 0.000 3.087 106 T HA 0.469 4.819 4.350 0.000 0.000 0.283 106 T C 0.169 175.027 174.700 0.262 0.000 0.956 106 T CA -0.168 62.124 62.100 0.321 0.000 0.894 106 T CB -0.255 68.715 68.868 0.171 0.000 1.160 106 T HN 0.764 nan 8.240 nan 0.000 0.532 107 E N 1.007 121.379 120.200 0.286 0.000 2.410 107 E HA 0.485 4.835 4.350 0.000 0.000 0.269 107 E C -1.378 175.370 176.600 0.246 0.000 0.937 107 E CA -1.173 55.313 56.400 0.144 0.000 0.793 107 E CB 1.070 30.840 29.700 0.116 0.000 1.314 107 E HN 0.071 nan 8.360 nan 0.000 0.447 108 D N 0.492 120.963 120.400 0.118 0.000 2.423 108 D HA 0.077 4.717 4.640 0.000 0.000 0.238 108 D C -0.821 175.635 176.300 0.260 0.000 1.142 108 D CA 0.157 54.280 54.000 0.205 0.000 0.884 108 D CB 0.855 41.712 40.800 0.094 0.000 1.199 108 D HN 0.242 nan 8.370 nan 0.000 0.438 109 C N 2.246 121.741 119.300 0.324 0.000 2.455 109 C HA 0.258 4.718 4.460 0.000 0.000 0.321 109 C C 1.555 176.630 174.990 0.143 0.000 1.102 109 C CA -0.373 58.775 59.018 0.216 0.000 1.413 109 C CB -0.616 27.263 27.740 0.232 0.000 1.952 109 C HN 0.620 nan 8.230 nan 0.000 0.428 110 S N 2.772 118.468 115.700 -0.006 0.000 2.481 110 S HA 0.047 4.517 4.470 0.000 0.000 0.231 110 S C 0.653 175.072 174.600 -0.301 0.000 0.996 110 S CA 0.657 58.623 58.200 -0.391 0.000 0.942 110 S CB -0.035 62.976 63.200 -0.315 0.000 0.768 110 S HN 0.937 nan 8.310 nan 0.000 0.520 111 S N -0.372 115.249 115.700 -0.131 0.000 2.720 111 S HA 0.568 5.038 4.470 0.000 0.000 0.278 111 S C 0.078 174.662 174.600 -0.027 0.000 1.172 111 S CA -0.764 57.383 58.200 -0.089 0.000 1.019 111 S CB 1.015 64.159 63.200 -0.093 0.000 1.049 111 S HN 0.166 nan 8.310 nan 0.000 0.483 112 L N 3.882 125.129 121.223 0.040 0.000 2.131 112 L HA 0.142 4.482 4.340 0.000 0.000 0.206 112 L C 2.694 179.622 176.870 0.097 0.000 1.087 112 L CA 1.375 56.295 54.840 0.132 0.000 0.767 112 L CB -0.339 41.820 42.059 0.166 0.000 0.917 112 L HN 0.606 nan 8.230 nan 0.000 0.441 113 Q N -0.019 119.823 119.800 0.070 0.000 2.061 113 Q HA -0.212 4.129 4.340 0.000 0.000 0.204 113 Q C 1.837 177.813 176.000 -0.040 0.000 0.984 113 Q CA 1.870 57.717 55.803 0.073 0.000 0.846 113 Q CB -0.288 28.493 28.738 0.072 0.000 0.902 113 Q HN 0.453 nan 8.270 nan 0.000 0.421 114 D N -0.760 119.591 120.400 -0.081 0.000 2.097 114 D HA -0.124 4.517 4.640 0.000 0.000 0.197 114 D C 1.999 178.081 176.300 -0.363 0.000 0.984 114 D CA 1.166 55.082 54.000 -0.140 0.000 0.826 114 D CB -0.220 40.524 40.800 -0.093 0.000 0.973 114 D HN 0.202 nan 8.370 nan 0.000 0.460 115 R N -0.826 119.438 120.500 -0.393 0.000 2.090 115 R HA -0.021 4.319 4.340 0.000 0.000 0.228 115 R C 0.927 176.614 176.300 -1.022 0.000 1.110 115 R CA 1.124 56.817 56.100 -0.679 0.000 0.973 115 R CB -0.028 29.847 30.300 -0.708 0.000 0.869 115 R HN 0.120 nan 8.270 nan 0.000 0.440 116 F N -0.554 119.138 119.950 -0.431 0.000 2.798 116 F HA 0.291 4.819 4.527 0.002 0.000 0.328 116 F C -0.198 175.472 175.800 -0.217 0.000 1.098 116 F CA -0.467 57.301 58.000 -0.387 0.000 1.172 116 F CB 0.603 39.350 39.000 -0.420 0.000 1.072 116 F HN 0.074 nan 8.300 nan 0.000 0.555 117 H N -1.402 117.798 119.070 0.218 0.000 2.899 117 H HA -0.204 4.352 4.556 0.000 0.000 0.282 117 H C -0.655 174.908 175.328 0.392 0.000 1.198 117 H CA 0.484 56.677 56.048 0.241 0.000 1.140 117 H CB -2.357 27.508 29.762 0.172 0.000 1.317 117 H HN 0.127 nan 8.280 nan 0.000 0.375 118 F N 1.588 121.625 119.950 0.145 0.000 2.469 118 F HA 0.234 4.761 4.527 -0.000 0.000 0.332 118 F C 1.405 177.255 175.800 0.083 0.000 1.103 118 F CA -0.993 57.074 58.000 0.112 0.000 0.979 118 F CB 1.438 40.488 39.000 0.083 0.000 1.137 118 F HN 0.114 nan 8.300 nan 0.000 0.463 119 N N -0.200 118.603 118.700 0.172 0.000 2.227 119 N HA 0.149 4.889 4.740 0.000 0.000 0.196 119 N C -0.855 174.697 175.510 0.071 0.000 1.142 119 N CA -0.076 53.040 53.050 0.110 0.000 0.887 119 N CB 0.564 39.099 38.487 0.079 0.000 1.022 119 N HN 0.495 nan 8.380 nan 0.000 0.500 120 E N 0.356 120.584 120.200 0.046 0.000 2.331 120 E HA 0.348 4.698 4.350 0.000 0.000 0.275 120 E C -1.197 175.424 176.600 0.035 0.000 0.895 120 E CA -0.793 55.609 56.400 0.005 0.000 0.753 120 E CB 2.338 32.031 29.700 -0.011 0.000 1.216 120 E HN -0.064 nan 8.360 nan 0.000 0.434 121 I N 2.235 122.831 120.570 0.045 0.000 2.418 121 I HA 0.218 4.388 4.170 0.000 0.000 0.287 121 I C 0.246 176.471 176.117 0.181 0.000 1.008 121 I CA -0.504 60.889 61.300 0.155 0.000 1.104 121 I CB 0.945 38.995 38.000 0.084 0.000 1.264 121 I HN 0.673 nan 8.210 nan 0.000 0.438 122 H N 2.658 121.903 119.070 0.292 0.000 2.592 122 H HA 0.193 4.749 4.556 0.000 0.000 0.265 122 H C 0.260 175.763 175.328 0.291 0.000 0.955 122 H CA 0.289 56.506 56.048 0.282 0.000 1.175 122 H CB 0.639 30.482 29.762 0.135 0.000 1.433 122 H HN 0.667 nan 8.280 nan 0.000 0.537 123 S N -0.104 115.869 115.700 0.455 0.000 2.567 123 S HA 0.567 5.037 4.470 0.000 0.000 0.270 123 S C -1.666 173.240 174.600 0.509 0.000 1.152 123 S CA -1.152 57.267 58.200 0.365 0.000 0.835 123 S CB 1.771 64.879 63.200 -0.154 0.000 1.115 123 S HN 0.173 nan 8.310 nan 0.000 0.459 124 L N -1.050 120.509 121.223 0.560 0.000 2.540 124 L HA 0.765 5.105 4.340 0.000 0.000 0.256 124 L C -1.023 176.181 176.870 0.556 0.000 1.001 124 L CA -0.813 54.309 54.840 0.471 0.000 0.843 124 L CB 1.695 43.761 42.059 0.013 0.000 1.436 124 L HN 0.923 nan 8.230 nan 0.000 0.410 125 N N 0.379 119.303 118.700 0.374 0.000 2.448 125 N HA 0.639 5.379 4.740 0.000 0.000 0.279 125 N C -1.611 173.968 175.510 0.116 0.000 1.025 125 N CA -0.641 52.550 53.050 0.235 0.000 0.898 125 N CB 2.023 40.586 38.487 0.126 0.000 1.303 125 N HN 0.586 nan 8.380 nan 0.000 0.495 126 V N 5.745 125.749 119.914 0.151 0.000 2.339 126 V HA 0.124 4.244 4.120 0.000 0.000 0.261 126 V C 1.375 177.523 176.094 0.091 0.000 1.058 126 V CA -0.235 62.114 62.300 0.082 0.000 0.897 126 V CB 0.658 32.566 31.823 0.141 0.000 1.052 126 V HN 0.753 nan 8.190 nan 0.000 0.480 127 L N 3.183 124.445 121.223 0.065 0.000 2.068 127 L HA 0.162 4.502 4.340 0.000 0.000 0.204 127 L C 0.676 177.578 176.870 0.054 0.000 1.076 127 L CA 1.217 56.087 54.840 0.050 0.000 0.753 127 L CB 0.072 42.152 42.059 0.035 0.000 0.910 127 L HN 0.597 nan 8.230 nan 0.000 0.439 128 E N -1.403 118.854 120.200 0.095 0.000 2.331 128 E HA 0.519 4.870 4.350 0.000 0.000 0.275 128 E C -0.407 176.200 176.600 0.012 0.000 0.895 128 E CA -0.290 56.123 56.400 0.023 0.000 0.753 128 E CB 2.098 31.783 29.700 -0.026 0.000 1.216 128 E HN 0.160 nan 8.360 nan 0.000 0.434 129 G N 1.387 110.071 108.800 -0.194 0.000 2.880 129 G HA2 -0.209 3.751 3.960 0.000 0.000 0.617 129 G HA3 -0.209 3.751 3.960 0.000 0.000 0.617 129 G C -0.426 174.441 174.900 -0.055 0.000 1.493 129 G CA -0.413 44.422 45.100 -0.442 0.000 0.916 129 G HN 0.422 nan 8.290 nan 0.000 0.553 130 S N -0.176 115.486 115.700 -0.064 0.000 2.578 130 S HA 0.808 5.278 4.470 0.000 0.000 0.283 130 S C -0.595 174.058 174.600 0.087 0.000 1.195 130 S CA -0.139 58.129 58.200 0.113 0.000 1.050 130 S CB 1.294 64.519 63.200 0.043 0.000 1.012 130 S HN 0.621 nan 8.310 nan 0.000 0.511 131 W N 0.106 121.372 121.300 -0.056 0.000 3.017 131 W HA 0.679 5.339 4.660 -0.000 0.000 0.341 131 W C -1.227 175.156 176.519 -0.227 0.000 1.180 131 W CA -0.768 56.505 57.345 -0.120 0.000 1.097 131 W CB 0.854 30.262 29.460 -0.088 0.000 1.468 131 W HN 0.311 nan 8.180 nan 0.000 0.584 132 V N 2.738 122.643 119.914 -0.015 0.000 2.487 132 V HA 0.410 4.530 4.120 0.000 0.000 0.298 132 V C -0.709 175.301 176.094 -0.140 0.000 1.028 132 V CA -1.121 61.043 62.300 -0.227 0.000 0.860 132 V CB 1.435 32.963 31.823 -0.492 0.000 0.991 132 V HN 0.470 nan 8.190 nan 0.000 0.427 133 L N 5.578 126.695 121.223 -0.177 0.000 2.289 133 L HA 0.620 4.960 4.340 0.000 0.000 0.285 133 L C -1.402 175.413 176.870 -0.092 0.000 1.049 133 L CA -0.249 54.545 54.840 -0.077 0.000 0.804 133 L CB 0.912 42.859 42.059 -0.186 0.000 1.195 133 L HN 0.589 nan 8.230 nan 0.000 0.428 134 Y N 2.521 122.902 120.300 0.135 0.000 2.377 134 Y HA 0.167 4.718 4.550 0.001 0.000 0.339 134 Y C 1.035 177.018 175.900 0.138 0.000 1.011 134 Y CA -0.581 57.600 58.100 0.135 0.000 1.093 134 Y CB 1.771 40.331 38.460 0.168 0.000 1.201 134 Y HN 0.699 nan 8.280 nan 0.000 0.455 135 E N 2.156 122.529 120.200 0.288 0.000 2.208 135 E HA -0.028 4.322 4.350 0.000 0.000 0.193 135 E C -0.671 176.027 176.600 0.164 0.000 0.988 135 E CA 0.995 57.531 56.400 0.227 0.000 0.828 135 E CB 0.219 30.048 29.700 0.214 0.000 0.763 135 E HN 0.561 nan 8.360 nan 0.000 0.478 136 L N 0.962 122.285 121.223 0.168 0.000 2.354 136 L HA 0.518 4.858 4.340 0.000 0.000 0.269 136 L C -2.416 174.465 176.870 0.019 0.000 1.005 136 L CA -3.136 51.755 54.840 0.085 0.000 0.819 136 L CB 1.795 43.896 42.059 0.070 0.000 1.311 136 L HN -0.197 nan 8.230 nan 0.000 0.423 137 P HA 0.021 nan 4.420 nan 0.000 0.269 137 P C -0.424 176.721 177.300 -0.258 0.000 1.211 137 P CA 0.273 63.282 63.100 -0.151 0.000 0.781 137 P CB 0.170 31.809 31.700 -0.101 0.000 0.877 138 N N -0.888 117.515 118.700 -0.495 0.000 2.741 138 N HA -0.243 4.497 4.740 0.000 0.000 0.250 138 N C -0.902 174.296 175.510 -0.520 0.000 1.115 138 N CA 0.473 53.190 53.050 -0.555 0.000 0.724 138 N CB -2.305 36.044 38.487 -0.230 0.000 1.090 138 N HN 0.454 nan 8.380 nan 0.000 0.558 139 Y N -2.848 117.233 120.300 -0.365 0.000 3.125 139 Y HA -0.305 4.245 4.550 0.001 0.000 0.200 139 Y C 0.533 176.060 175.900 -0.621 0.000 1.373 139 Y CA 0.640 58.149 58.100 -0.986 0.000 1.180 139 Y CB -2.186 35.629 38.460 -1.074 0.000 1.381 139 Y HN 0.289 nan 8.280 nan 0.000 0.501 140 R N -0.342 120.110 120.500 -0.081 0.000 2.905 140 R HA 0.835 5.175 4.340 0.000 0.000 0.260 140 R C 0.779 177.233 176.300 0.256 0.000 1.086 140 R CA -0.680 55.501 56.100 0.136 0.000 0.978 140 R CB 2.043 32.381 30.300 0.063 0.000 1.215 140 R HN 0.639 nan 8.270 nan 0.000 0.480 141 G N 0.634 109.565 108.800 0.218 0.000 2.660 141 G HA2 -0.214 3.747 3.960 0.000 0.000 0.247 141 G HA3 -0.214 3.747 3.960 0.000 0.000 0.247 141 G C -1.052 173.936 174.900 0.146 0.000 1.328 141 G CA -0.860 44.345 45.100 0.175 0.000 0.884 141 G HN 0.485 nan 8.290 nan 0.000 0.531 142 R N 0.367 120.892 120.500 0.042 0.000 2.590 142 R HA 0.338 4.679 4.340 0.000 0.000 0.274 142 R C 0.386 176.430 176.300 -0.428 0.000 1.061 142 R CA 0.298 56.281 56.100 -0.195 0.000 1.081 142 R CB 0.326 30.518 30.300 -0.181 0.000 0.984 142 R HN 0.613 nan 8.270 nan 0.000 0.448 143 Q N 1.855 121.246 119.800 -0.681 0.000 2.306 143 Q HA 0.391 4.731 4.340 0.000 0.000 0.265 143 Q C -1.415 174.020 176.000 -0.943 0.000 1.022 143 Q CA -0.647 54.719 55.803 -0.727 0.000 0.853 143 Q CB 2.046 30.489 28.738 -0.491 0.000 1.327 143 Q HN 0.450 nan 8.270 nan 0.000 0.449 144 Y N 0.667 120.856 120.300 -0.185 0.000 2.386 144 Y HA 0.320 4.871 4.550 0.000 0.000 0.334 144 Y C -0.722 175.118 175.900 -0.100 0.000 1.002 144 Y CA -0.996 57.073 58.100 -0.052 0.000 1.068 144 Y CB 1.268 39.781 38.460 0.087 0.000 1.203 144 Y HN 0.510 nan 8.280 nan 0.000 0.443 145 L N 4.718 126.003 121.223 0.102 0.000 2.380 145 L HA 0.456 4.797 4.340 0.000 0.000 0.273 145 L C -1.147 175.777 176.870 0.090 0.000 1.138 145 L CA 0.064 54.939 54.840 0.059 0.000 0.832 145 L CB 0.213 42.344 42.059 0.119 0.000 1.124 145 L HN 0.595 nan 8.230 nan 0.000 0.454 146 L N 6.437 127.677 121.223 0.028 0.000 2.319 146 L HA 0.559 4.899 4.340 0.000 0.000 0.281 146 L C 0.007 176.966 176.870 0.149 0.000 1.005 146 L CA -0.541 54.290 54.840 -0.015 0.000 0.828 146 L CB 1.413 43.352 42.059 -0.201 0.000 1.227 146 L HN 0.681 nan 8.230 nan 0.000 0.415 147 R N 2.953 123.606 120.500 0.256 0.000 2.758 147 R HA 0.501 4.842 4.340 0.000 0.000 0.265 147 R C -2.447 174.003 176.300 0.249 0.000 1.016 147 R CA -1.886 54.339 56.100 0.208 0.000 1.040 147 R CB 1.204 31.602 30.300 0.162 0.000 1.152 147 R HN 0.259 nan 8.270 nan 0.000 0.503 148 P HA 0.020 nan 4.420 nan 0.000 0.261 148 P C -0.494 176.880 177.300 0.123 0.000 1.173 148 P CA 0.882 64.062 63.100 0.133 0.000 0.760 148 P CB 0.586 32.322 31.700 0.060 0.000 0.783 149 G N 1.956 110.834 108.800 0.130 0.000 2.369 149 G HA2 0.062 4.023 3.960 0.000 0.000 0.307 149 G HA3 0.062 4.023 3.960 0.000 0.000 0.307 149 G C -1.728 173.204 174.900 0.053 0.000 1.327 149 G CA -0.794 44.319 45.100 0.022 0.000 0.963 149 G HN 0.403 nan 8.290 nan 0.000 0.590 150 E N -0.727 119.413 120.200 -0.099 0.000 2.214 150 E HA 0.600 4.951 4.350 0.000 0.000 0.274 150 E C -1.540 174.984 176.600 -0.127 0.000 0.977 150 E CA -0.607 55.821 56.400 0.046 0.000 0.827 150 E CB 2.096 31.813 29.700 0.028 0.000 1.130 150 E HN 0.402 nan 8.360 nan 0.000 0.394 151 Y N 0.798 121.309 120.300 0.352 0.000 2.344 151 Y HA 0.166 4.717 4.550 0.001 0.000 0.328 151 Y C 0.949 177.000 175.900 0.252 0.000 1.067 151 Y CA -0.762 57.535 58.100 0.329 0.000 1.247 151 Y CB 1.168 39.951 38.460 0.538 0.000 1.113 151 Y HN 0.515 nan 8.280 nan 0.000 0.465 152 R N 0.323 120.912 120.500 0.149 0.000 2.236 152 R HA 0.250 4.590 4.340 0.000 0.000 0.208 152 R C -0.067 176.137 176.300 -0.160 0.000 1.036 152 R CA 0.666 56.655 56.100 -0.186 0.000 1.001 152 R CB 0.391 30.567 30.300 -0.206 0.000 0.896 152 R HN 0.461 nan 8.270 nan 0.000 0.464 153 R N -0.771 119.684 120.500 -0.074 0.000 2.739 153 R HA 0.120 4.461 4.340 0.000 0.000 0.271 153 R C -0.211 175.754 176.300 -0.559 0.000 1.010 153 R CA -0.711 55.272 56.100 -0.195 0.000 0.897 153 R CB 0.689 30.890 30.300 -0.165 0.000 1.236 153 R HN 0.095 nan 8.270 nan 0.000 0.466 154 Y N -0.382 119.411 120.300 -0.845 0.000 2.384 154 Y HA -0.136 4.414 4.550 0.000 0.000 0.289 154 Y C 1.136 176.123 175.900 -1.521 0.000 1.152 154 Y CA 1.613 58.544 58.100 -1.947 0.000 1.258 154 Y CB -0.672 37.069 38.460 -1.199 0.000 0.979 154 Y HN 0.676 nan 8.280 nan 0.000 0.549 155 H N 0.258 118.741 119.070 -0.978 0.000 2.421 155 H HA -0.099 4.457 4.556 0.000 0.000 0.298 155 H C 1.384 176.503 175.328 -0.348 0.000 1.087 155 H CA 1.596 57.326 56.048 -0.529 0.000 1.330 155 H CB -0.297 29.183 29.762 -0.470 0.000 1.388 155 H HN 0.399 nan 8.280 nan 0.000 0.526 156 D N -0.127 120.165 120.400 -0.179 0.000 2.310 156 D HA -0.114 4.526 4.640 0.000 0.000 0.212 156 D C 1.020 177.539 176.300 0.364 0.000 0.965 156 D CA 0.823 54.880 54.000 0.094 0.000 0.879 156 D CB -0.319 40.581 40.800 0.167 0.000 0.921 156 D HN 0.755 nan 8.370 nan 0.000 0.510 157 W N -0.877 120.547 121.300 0.207 0.000 3.132 157 W HA 0.495 5.156 4.660 0.001 0.000 0.364 157 W C 1.084 177.625 176.519 0.035 0.000 1.129 157 W CA -0.129 57.283 57.345 0.111 0.000 1.815 157 W CB -0.225 29.120 29.460 -0.192 0.000 1.099 157 W HN -0.045 nan 8.180 nan 0.000 0.605 158 G N 0.595 109.386 108.800 -0.014 0.000 2.137 158 G HA2 -0.030 3.930 3.960 0.000 0.000 0.237 158 G HA3 -0.030 3.930 3.960 0.000 0.000 0.237 158 G C 0.356 175.167 174.900 -0.149 0.000 1.002 158 G CA -0.224 44.882 45.100 0.011 0.000 0.702 158 G HN 0.800 nan 8.290 nan 0.000 0.515 159 A N -1.048 121.457 122.820 -0.526 0.000 2.252 159 A HA 0.885 5.205 4.320 0.000 0.000 0.305 159 A C 1.212 178.662 177.584 -0.223 0.000 1.097 159 A CA 0.296 51.992 52.037 -0.568 0.000 0.849 159 A CB 0.759 19.280 19.000 -0.799 0.000 1.142 159 A HN 0.445 nan 8.150 nan 0.000 0.499 160 M N -0.128 119.369 119.600 -0.172 0.000 2.510 160 M HA 0.104 4.585 4.480 0.000 0.000 0.256 160 M C -0.181 175.882 176.300 -0.394 0.000 1.132 160 M CA 0.606 55.838 55.300 -0.113 0.000 1.105 160 M CB -0.027 32.566 32.600 -0.012 0.000 1.375 160 M HN 0.909 nan 8.290 nan 0.000 0.477 161 N N -2.160 116.066 118.700 -0.790 0.000 2.934 161 N HA 0.481 5.221 4.740 0.000 0.000 0.253 161 N C -0.339 174.411 175.510 -1.267 0.000 1.466 161 N CA -0.501 51.811 53.050 -1.230 0.000 0.858 161 N CB 0.689 38.880 38.487 -0.493 0.000 1.459 161 N HN -0.127 nan 8.380 nan 0.000 0.532 162 A N -0.917 121.277 122.820 -1.042 0.000 2.252 162 A HA 0.053 4.374 4.320 0.000 0.000 0.207 162 A C 0.166 177.614 177.584 -0.226 0.000 1.194 162 A CA 0.310 52.006 52.037 -0.569 0.000 0.809 162 A CB -0.466 18.014 19.000 -0.868 0.000 0.814 162 A HN 0.366 nan 8.150 nan 0.000 0.482 163 K N 0.678 120.971 120.400 -0.178 0.000 2.416 163 K HA 0.371 4.691 4.320 0.000 0.000 0.283 163 K C -0.856 175.770 176.600 0.044 0.000 1.037 163 K CA 0.295 56.558 56.287 -0.041 0.000 0.995 163 K CB 0.992 33.479 32.500 -0.022 0.000 0.938 163 K HN 0.074 nan 8.250 nan 0.000 0.475 164 V N 0.943 120.895 119.914 0.062 0.000 2.888 164 V HA 0.413 4.534 4.120 0.000 0.000 0.309 164 V C 0.795 176.945 176.094 0.094 0.000 1.114 164 V CA -0.678 61.675 62.300 0.088 0.000 0.940 164 V CB 2.064 33.913 31.823 0.044 0.000 1.021 164 V HN 0.929 nan 8.190 nan 0.000 0.426 165 G N 1.737 110.604 108.800 0.112 0.000 2.692 165 G HA2 0.471 4.431 3.960 0.000 0.000 0.201 165 G HA3 0.471 4.431 3.960 0.000 0.000 0.201 165 G C 0.220 175.149 174.900 0.050 0.000 1.063 165 G CA 0.781 45.926 45.100 0.075 0.000 0.790 165 G HN 0.962 nan 8.290 nan 0.000 0.599 166 S N -0.988 114.785 115.700 0.121 0.000 2.588 166 S HA 0.769 5.239 4.470 0.000 0.000 0.269 166 S C -1.593 173.220 174.600 0.354 0.000 1.157 166 S CA -0.752 57.522 58.200 0.124 0.000 0.824 166 S CB 1.993 65.060 63.200 -0.222 0.000 1.126 166 S HN 0.144 nan 8.310 nan 0.000 0.464 167 L N 1.138 122.624 121.223 0.438 0.000 2.431 167 L HA 0.778 5.118 4.340 0.000 0.000 0.266 167 L C -0.747 176.452 176.870 0.549 0.000 0.978 167 L CA -0.729 54.384 54.840 0.455 0.000 0.822 167 L CB 2.463 44.674 42.059 0.254 0.000 1.310 167 L HN 0.988 nan 8.230 nan 0.000 0.409 168 R N 1.892 122.643 120.500 0.419 0.000 2.628 168 R HA 0.668 5.009 4.340 0.000 0.000 0.288 168 R C -1.221 175.013 176.300 -0.110 0.000 0.980 168 R CA -0.807 55.340 56.100 0.077 0.000 0.891 168 R CB 1.567 31.729 30.300 -0.231 0.000 1.188 168 R HN 0.463 nan 8.270 nan 0.000 0.450 169 R N 1.683 121.859 120.500 -0.540 0.000 2.582 169 R HA 0.301 4.641 4.340 0.000 0.000 0.271 169 R C -0.472 175.452 176.300 -0.626 0.000 1.078 169 R CA -0.776 54.688 56.100 -1.060 0.000 1.127 169 R CB 1.075 30.379 30.300 -1.661 0.000 1.038 169 R HN 0.332 nan 8.270 nan 0.000 0.500 170 V N 5.131 124.774 119.914 -0.451 0.000 2.368 170 V HA 0.238 4.358 4.120 0.000 0.000 0.266 170 V C 0.177 176.263 176.094 -0.014 0.000 1.045 170 V CA -0.046 62.124 62.300 -0.215 0.000 0.899 170 V CB 0.440 32.172 31.823 -0.152 0.000 1.006 170 V HN 0.506 nan 8.190 nan 0.000 0.470 171 I N 2.564 123.156 120.570 0.037 0.000 2.608 171 I HA 0.476 4.647 4.170 0.000 0.000 0.295 171 I C -0.273 175.920 176.117 0.127 0.000 1.049 171 I CA -0.748 60.640 61.300 0.146 0.000 1.063 171 I CB 2.010 40.024 38.000 0.024 0.000 1.248 171 I HN 0.383 nan 8.210 nan 0.000 0.424 172 D N 4.447 124.868 120.400 0.035 0.000 2.424 172 D HA 0.260 4.901 4.640 0.000 0.000 0.244 172 D C 0.106 176.337 176.300 -0.116 0.000 1.134 172 D CA 0.115 54.056 54.000 -0.099 0.000 0.881 172 D CB 1.294 41.962 40.800 -0.220 0.000 1.191 172 D HN 0.349 nan 8.370 nan 0.000 0.445 173 I N 5.115 125.625 120.570 -0.101 0.000 2.191 173 I HA 0.063 4.233 4.170 0.000 0.000 0.289 173 I C -0.691 175.319 176.117 -0.179 0.000 1.141 173 I CA -0.248 60.924 61.300 -0.213 0.000 1.430 173 I CB -0.712 37.210 38.000 -0.130 0.000 1.497 173 I HN 0.378 nan 8.210 nan 0.000 0.636 174 Y N 0.000 120.268 120.300 -0.054 0.000 2.660 174 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 174 Y CA 0.000 58.064 58.100 -0.060 0.000 1.940 174 Y CB 0.000 38.436 38.460 -0.040 0.000 1.050 174 Y HN 0.000 nan 8.280 nan 0.000 0.758