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 1b77_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLSKDTIAI LKNFASINSG ILLSQGKFIM TRAVNGTTYA EANISDEIDF DATA SEQUENCE DVALYDLNSF LSILSLVSDD AEISMHTDGN IKIADTRSTV YWPAADKSTI DATA SEQUENCE VFPNKPIQFP VASVITEIKA EDLQQLLRVS RGLQIDTIAI TNKDGKIVIN DATA SEQUENCE GYNKVEDSGL TRPKYSLTLT DYDGSNNFNF VINMANMKIQ PGNYKVMLWG DATA SEQUENCE AGDKVAAKFE SSQVSYVIAM EADSTHDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.354 176.300 0.089 0.000 1.140 1 M CA 0.000 55.387 55.300 0.146 0.000 0.988 1 M CB 0.000 32.697 32.600 0.161 0.000 1.302 2 K N 1.631 122.057 120.400 0.043 0.000 2.535 2 K HA 0.658 4.978 4.320 0.000 0.000 0.251 2 K C -2.053 174.542 176.600 -0.010 0.000 0.942 2 K CA -0.842 55.453 56.287 0.013 0.000 0.798 2 K CB 2.620 35.123 32.500 0.004 0.000 1.267 2 K HN 0.333 nan 8.250 nan 0.000 0.434 3 L N 2.353 123.560 121.223 -0.027 0.000 2.298 3 L HA 0.303 4.643 4.340 0.000 0.000 0.284 3 L C 0.401 177.233 176.870 -0.063 0.000 1.013 3 L CA -0.269 54.541 54.840 -0.049 0.000 0.824 3 L CB 1.455 43.483 42.059 -0.053 0.000 1.221 3 L HN 0.693 nan 8.230 nan 0.000 0.418 4 S N 2.259 117.921 115.700 -0.062 0.000 2.614 4 S HA 0.310 4.780 4.470 0.000 0.000 0.265 4 S C 1.189 175.745 174.600 -0.074 0.000 1.303 4 S CA -0.622 57.541 58.200 -0.062 0.000 1.000 4 S CB 0.931 64.098 63.200 -0.055 0.000 0.935 4 S HN 0.478 nan 8.310 nan 0.000 0.551 5 K N 1.071 121.430 120.400 -0.068 0.000 2.113 5 K HA -0.128 4.193 4.320 0.000 0.000 0.208 5 K C 1.421 177.976 176.600 -0.075 0.000 1.047 5 K CA 1.611 57.856 56.287 -0.070 0.000 0.928 5 K CB -0.767 31.699 32.500 -0.057 0.000 0.716 5 K HN 0.673 nan 8.250 nan 0.000 0.446 6 D N 0.141 120.497 120.400 -0.072 0.000 2.117 6 D HA -0.086 4.554 4.640 0.000 0.000 0.198 6 D C 1.772 178.006 176.300 -0.110 0.000 0.982 6 D CA 1.271 55.223 54.000 -0.080 0.000 0.828 6 D CB -0.201 40.559 40.800 -0.068 0.000 0.967 6 D HN 0.180 nan 8.370 nan 0.000 0.464 7 T N 1.366 115.850 114.554 -0.117 0.000 2.821 7 T HA -0.030 4.320 4.350 0.000 0.000 0.267 7 T C 2.259 176.854 174.700 -0.175 0.000 1.046 7 T CA 0.404 62.410 62.100 -0.156 0.000 1.139 7 T CB -0.089 68.700 68.868 -0.131 0.000 0.871 7 T HN 0.138 nan 8.240 nan 0.000 0.454 8 I N 1.344 121.833 120.570 -0.134 0.000 2.226 8 I HA -0.175 3.995 4.170 0.000 0.000 0.245 8 I C 2.913 178.954 176.117 -0.127 0.000 1.100 8 I CA 1.005 62.228 61.300 -0.127 0.000 1.374 8 I CB -0.472 37.459 38.000 -0.115 0.000 1.057 8 I HN 0.194 nan 8.210 nan 0.000 0.413 9 A N 1.176 123.928 122.820 -0.114 0.000 1.883 9 A HA -0.191 4.129 4.320 0.000 0.000 0.217 9 A C 2.293 179.806 177.584 -0.119 0.000 1.186 9 A CA 1.580 53.562 52.037 -0.092 0.000 0.624 9 A CB -0.801 18.156 19.000 -0.071 0.000 0.822 9 A HN 0.377 nan 8.150 nan 0.000 0.444 10 I N -0.470 119.984 120.570 -0.194 0.000 2.179 10 I HA -0.249 3.921 4.170 0.000 0.000 0.242 10 I C 2.368 178.197 176.117 -0.479 0.000 1.088 10 I CA 1.114 62.218 61.300 -0.327 0.000 1.357 10 I CB -0.374 37.354 38.000 -0.454 0.000 1.051 10 I HN 0.284 nan 8.210 nan 0.000 0.409 11 L N 0.498 121.465 121.223 -0.426 0.000 2.127 11 L HA -0.240 4.100 4.340 0.000 0.000 0.211 11 L C 2.588 179.401 176.870 -0.096 0.000 1.089 11 L CA 1.442 56.088 54.840 -0.324 0.000 0.757 11 L CB -0.538 41.403 42.059 -0.196 0.000 0.899 11 L HN 0.216 nan 8.230 nan 0.000 0.434 12 K N -0.175 120.180 120.400 -0.075 0.000 2.057 12 K HA -0.208 4.112 4.320 0.000 0.000 0.207 12 K C 1.931 178.560 176.600 0.049 0.000 1.049 12 K CA 1.553 57.834 56.287 -0.010 0.000 0.931 12 K CB -0.322 32.164 32.500 -0.024 0.000 0.714 12 K HN 0.395 nan 8.250 nan 0.000 0.440 13 N N 0.444 119.187 118.700 0.071 0.000 2.166 13 N HA -0.167 4.573 4.740 0.000 0.000 0.186 13 N C 1.662 177.343 175.510 0.286 0.000 1.019 13 N CA 1.045 54.196 53.050 0.168 0.000 0.856 13 N CB -0.011 38.608 38.487 0.221 0.000 0.993 13 N HN 0.009 nan 8.380 nan 0.000 0.426 14 F N 1.648 121.582 119.950 -0.027 0.000 2.216 14 F HA 0.049 4.576 4.527 0.000 0.000 0.300 14 F C 2.629 178.406 175.800 -0.039 0.000 1.085 14 F CA 0.655 58.624 58.000 -0.052 0.000 1.326 14 F CB -1.127 37.810 39.000 -0.104 0.000 1.027 14 F HN 0.099 nan 8.300 nan 0.000 0.497 15 A N -0.497 122.421 122.820 0.163 0.000 2.121 15 A HA -0.118 4.202 4.320 0.000 0.000 0.218 15 A C 2.289 179.902 177.584 0.047 0.000 1.154 15 A CA 1.541 53.625 52.037 0.077 0.000 0.679 15 A CB -0.926 18.108 19.000 0.056 0.000 0.795 15 A HN 0.387 nan 8.150 nan 0.000 0.458 16 S N -0.590 115.144 115.700 0.056 0.000 2.461 16 S HA 0.059 4.529 4.470 0.000 0.000 0.228 16 S C 1.641 176.246 174.600 0.009 0.000 1.005 16 S CA 0.998 59.215 58.200 0.028 0.000 0.942 16 S CB -0.474 62.743 63.200 0.028 0.000 0.776 16 S HN 0.474 nan 8.310 nan 0.000 0.514 17 I N 1.111 121.686 120.570 0.008 0.000 2.703 17 I HA 0.200 4.370 4.170 0.000 0.000 0.259 17 I C 0.601 176.698 176.117 -0.032 0.000 1.151 17 I CA 0.263 61.548 61.300 -0.025 0.000 1.470 17 I CB 0.090 38.051 38.000 -0.064 0.000 1.112 17 I HN 0.291 nan 8.210 nan 0.000 0.437 18 N N -0.416 118.268 118.700 -0.026 0.000 2.537 18 N HA 0.034 4.774 4.740 0.000 0.000 0.281 18 N C 0.555 176.049 175.510 -0.027 0.000 1.097 18 N CA 0.146 53.177 53.050 -0.031 0.000 0.964 18 N CB 1.570 40.037 38.487 -0.034 0.000 1.588 18 N HN -0.035 nan 8.380 nan 0.000 0.511 19 S N 0.919 116.587 115.700 -0.053 0.000 2.419 19 S HA 0.049 4.519 4.470 0.000 0.000 0.235 19 S C 1.005 175.553 174.600 -0.087 0.000 1.019 19 S CA 0.986 59.144 58.200 -0.070 0.000 0.982 19 S CB -0.178 62.950 63.200 -0.120 0.000 0.789 19 S HN 0.592 nan 8.310 nan 0.000 0.490 20 G N -0.073 108.669 108.800 -0.096 0.000 2.597 20 G HA2 0.775 4.735 3.960 0.000 0.000 0.317 20 G HA3 0.775 4.735 3.960 0.000 0.000 0.317 20 G C -1.172 173.734 174.900 0.009 0.000 1.230 20 G CA -0.948 44.115 45.100 -0.061 0.000 0.996 20 G HN 0.438 nan 8.290 nan 0.000 0.490 21 I N -1.172 119.413 120.570 0.026 0.000 3.021 21 I HA 0.468 4.638 4.170 0.000 0.000 0.305 21 I C -2.054 174.052 176.117 -0.018 0.000 1.434 21 I CA -0.992 60.324 61.300 0.027 0.000 0.969 21 I CB 2.369 40.377 38.000 0.013 0.000 1.328 21 I HN 0.499 nan 8.210 nan 0.000 0.486 22 L N 6.375 127.558 121.223 -0.066 0.000 2.319 22 L HA 0.579 4.919 4.340 0.000 0.000 0.281 22 L C -1.604 175.159 176.870 -0.179 0.000 1.005 22 L CA -0.196 54.521 54.840 -0.205 0.000 0.828 22 L CB 1.321 43.080 42.059 -0.500 0.000 1.227 22 L HN 0.401 nan 8.230 nan 0.000 0.415 23 L N 4.616 125.723 121.223 -0.194 0.000 2.264 23 L HA 0.531 4.871 4.340 0.000 0.000 0.289 23 L C 0.056 176.812 176.870 -0.189 0.000 1.044 23 L CA -0.212 54.510 54.840 -0.197 0.000 0.807 23 L CB 1.271 43.174 42.059 -0.260 0.000 1.192 23 L HN 0.633 nan 8.230 nan 0.000 0.425 24 S N 2.110 117.734 115.700 -0.127 0.000 2.501 24 S HA 0.353 4.823 4.470 0.000 0.000 0.301 24 S C -0.488 174.076 174.600 -0.060 0.000 1.096 24 S CA -0.814 57.337 58.200 -0.082 0.000 1.063 24 S CB 1.756 64.942 63.200 -0.024 0.000 1.042 24 S HN 0.510 nan 8.310 nan 0.000 0.494 25 Q N 0.918 120.689 119.800 -0.047 0.000 2.333 25 Q HA 0.400 4.740 4.340 0.000 0.000 0.299 25 Q C 0.762 176.766 176.000 0.007 0.000 1.067 25 Q CA 0.743 56.532 55.803 -0.024 0.000 0.943 25 Q CB 0.223 28.965 28.738 0.006 0.000 1.233 25 Q HN 0.983 nan 8.270 nan 0.000 0.401 26 G N 1.355 110.161 108.800 0.010 0.000 2.270 26 G HA2 -0.101 3.859 3.960 0.000 0.000 0.268 26 G HA3 -0.101 3.859 3.960 0.000 0.000 0.268 26 G C -1.100 173.820 174.900 0.034 0.000 1.312 26 G CA -0.851 44.269 45.100 0.034 0.000 1.050 26 G HN 0.482 nan 8.290 nan 0.000 0.474 27 K N -0.318 120.123 120.400 0.067 0.000 2.934 27 K HA 0.402 4.722 4.320 0.000 0.000 0.210 27 K C -1.083 175.594 176.600 0.128 0.000 1.122 27 K CA -0.104 56.217 56.287 0.056 0.000 1.033 27 K CB 1.042 33.565 32.500 0.038 0.000 0.779 27 K HN 0.349 nan 8.250 nan 0.000 0.459 28 F N 2.186 122.115 119.950 -0.036 0.000 2.565 28 F HA 0.555 5.082 4.527 0.000 0.000 0.313 28 F C -1.258 174.530 175.800 -0.020 0.000 1.091 28 F CA -1.311 56.676 58.000 -0.021 0.000 0.915 28 F CB 1.248 40.245 39.000 -0.004 0.000 1.208 28 F HN 0.002 nan 8.300 nan 0.000 0.453 29 I N 4.964 125.034 120.570 -0.832 0.000 2.769 29 I HA 0.772 4.942 4.170 0.000 0.000 0.298 29 I C -1.414 174.268 176.117 -0.723 0.000 1.128 29 I CA -1.080 59.873 61.300 -0.578 0.000 1.031 29 I CB 2.361 40.183 38.000 -0.297 0.000 1.235 29 I HN 0.848 nan 8.210 nan 0.000 0.423 30 M N 2.916 122.296 119.600 -0.366 0.000 2.644 30 M HA 0.803 5.283 4.480 0.000 0.000 0.273 30 M C -1.084 175.046 176.300 -0.284 0.000 1.253 30 M CA -0.445 54.619 55.300 -0.395 0.000 0.852 30 M CB 2.494 34.916 32.600 -0.297 0.000 1.708 30 M HN 0.708 nan 8.290 nan 0.000 0.471 31 T N -0.122 114.111 114.554 -0.535 0.000 2.802 31 T HA 0.651 5.001 4.350 0.000 0.000 0.311 31 T C -2.142 172.390 174.700 -0.280 0.000 1.405 31 T CA -0.726 61.185 62.100 -0.315 0.000 1.016 31 T CB 2.455 71.121 68.868 -0.337 0.000 1.352 31 T HN 0.927 nan 8.240 nan 0.000 0.498 32 R N 1.339 121.796 120.500 -0.072 0.000 2.584 32 R HA 0.744 5.084 4.340 0.000 0.000 0.276 32 R C -0.580 175.717 176.300 -0.006 0.000 1.046 32 R CA -0.558 55.552 56.100 0.016 0.000 0.906 32 R CB 1.634 32.022 30.300 0.147 0.000 1.215 32 R HN 0.871 nan 8.270 nan 0.000 0.449 33 A N 2.403 125.220 122.820 -0.005 0.000 2.507 33 A HA 0.100 4.420 4.320 0.000 0.000 0.235 33 A C 1.177 178.759 177.584 -0.004 0.000 1.070 33 A CA -0.250 51.781 52.037 -0.010 0.000 0.768 33 A CB 0.521 19.519 19.000 -0.004 0.000 1.011 33 A HN 0.607 nan 8.150 nan 0.000 0.502 34 V N 1.761 121.667 119.914 -0.013 0.000 2.490 34 V HA -0.223 3.897 4.120 0.000 0.000 0.250 34 V C 1.984 178.072 176.094 -0.009 0.000 1.061 34 V CA 2.326 64.616 62.300 -0.017 0.000 1.064 34 V CB -1.088 30.723 31.823 -0.020 0.000 0.670 34 V HN 1.062 nan 8.190 nan 0.000 0.461 35 N N 0.608 119.306 118.700 -0.002 0.000 2.383 35 N HA 0.149 4.889 4.740 0.000 0.000 0.192 35 N C 1.364 176.881 175.510 0.012 0.000 1.141 35 N CA 0.803 53.855 53.050 0.004 0.000 0.851 35 N CB 0.062 38.553 38.487 0.005 0.000 0.976 35 N HN 0.409 nan 8.380 nan 0.000 0.465 36 G N -0.385 108.425 108.800 0.016 0.000 2.196 36 G HA2 -0.420 3.540 3.960 0.000 0.000 0.268 36 G HA3 -0.420 3.540 3.960 0.000 0.000 0.268 36 G C 1.135 176.062 174.900 0.045 0.000 0.975 36 G CA 1.310 46.428 45.100 0.030 0.000 0.648 36 G HN 0.631 nan 8.290 nan 0.000 0.538 37 T N -3.208 111.369 114.554 0.038 0.000 2.777 37 T HA 0.208 4.558 4.350 0.000 0.000 0.266 37 T C 1.227 175.965 174.700 0.064 0.000 1.040 37 T CA 2.194 64.322 62.100 0.046 0.000 1.141 37 T CB 0.124 69.008 68.868 0.028 0.000 0.868 37 T HN 1.193 nan 8.240 nan 0.000 0.444 38 T N 0.233 114.823 114.554 0.059 0.000 2.861 38 T HA 0.544 4.894 4.350 0.000 0.000 0.287 38 T C -2.004 172.765 174.700 0.115 0.000 1.003 38 T CA -1.026 61.123 62.100 0.082 0.000 0.977 38 T CB 1.458 70.341 68.868 0.025 0.000 0.996 38 T HN 0.376 nan 8.240 nan 0.000 0.448 39 Y N 3.031 123.332 120.300 0.001 0.000 2.485 39 Y HA 0.762 5.312 4.550 0.000 0.000 0.345 39 Y C -0.998 174.835 175.900 -0.112 0.000 0.998 39 Y CA -0.664 57.402 58.100 -0.058 0.000 1.059 39 Y CB 1.750 40.203 38.460 -0.011 0.000 1.234 39 Y HN 0.930 nan 8.280 nan 0.000 0.461 40 A N 4.603 126.799 122.820 -1.039 0.000 2.520 40 A HA 0.704 5.024 4.320 0.000 0.000 0.298 40 A C -1.680 175.152 177.584 -1.254 0.000 1.051 40 A CA -0.694 50.695 52.037 -1.079 0.000 0.690 40 A CB 1.536 19.846 19.000 -1.151 0.000 1.281 40 A HN 0.833 nan 8.150 nan 0.000 0.402 41 E N 0.388 120.186 120.200 -0.670 0.000 2.413 41 E HA 0.845 5.196 4.350 0.000 0.000 0.277 41 E C -0.759 175.798 176.600 -0.072 0.000 0.958 41 E CA -0.940 55.248 56.400 -0.352 0.000 0.779 41 E CB 2.209 31.869 29.700 -0.066 0.000 1.278 41 E HN 1.730 nan 8.360 nan 0.000 0.456 42 A N 1.703 124.428 122.820 -0.160 0.000 2.594 42 A HA 0.463 4.783 4.320 0.000 0.000 0.296 42 A C -1.705 175.850 177.584 -0.048 0.000 1.061 42 A CA -1.014 50.982 52.037 -0.069 0.000 0.689 42 A CB 1.506 20.429 19.000 -0.129 0.000 1.280 42 A HN 0.543 nan 8.150 nan 0.000 0.406 43 N N 1.714 120.453 118.700 0.066 0.000 2.422 43 N HA 0.569 5.309 4.740 0.000 0.000 0.266 43 N C -0.287 175.223 175.510 0.000 0.000 1.007 43 N CA -0.074 53.038 53.050 0.103 0.000 0.941 43 N CB 1.409 39.967 38.487 0.119 0.000 1.115 43 N HN 0.760 nan 8.380 nan 0.000 0.492 44 I N -1.526 119.031 120.570 -0.022 0.000 2.947 44 I HA 0.436 4.606 4.170 0.000 0.000 0.314 44 I C 1.293 177.391 176.117 -0.031 0.000 1.028 44 I CA -0.832 60.434 61.300 -0.057 0.000 1.077 44 I CB 1.621 39.560 38.000 -0.102 0.000 1.274 44 I HN 0.296 nan 8.210 nan 0.000 0.485 45 S N -0.362 115.315 115.700 -0.039 0.000 2.528 45 S HA 0.125 4.595 4.470 0.000 0.000 0.219 45 S C 0.272 174.857 174.600 -0.025 0.000 0.985 45 S CA -0.172 58.012 58.200 -0.027 0.000 0.914 45 S CB -0.491 62.692 63.200 -0.029 0.000 0.776 45 S HN 0.686 nan 8.310 nan 0.000 0.526 46 D N 2.312 122.690 120.400 -0.036 0.000 2.210 46 D HA 0.240 4.880 4.640 0.000 0.000 0.249 46 D C -0.494 175.791 176.300 -0.025 0.000 1.078 46 D CA -0.065 53.917 54.000 -0.031 0.000 0.875 46 D CB 1.286 42.060 40.800 -0.043 0.000 1.175 46 D HN 0.449 nan 8.370 nan 0.000 0.440 47 E N 2.308 122.502 120.200 -0.011 0.000 2.167 47 E HA 0.228 4.578 4.350 0.000 0.000 0.284 47 E C -0.381 176.212 176.600 -0.012 0.000 1.016 47 E CA -0.564 55.833 56.400 -0.004 0.000 0.817 47 E CB 0.639 30.345 29.700 0.010 0.000 1.080 47 E HN 0.363 nan 8.360 nan 0.000 0.397 48 I N 5.312 125.860 120.570 -0.038 0.000 2.363 48 I HA 0.017 4.187 4.170 0.000 0.000 0.292 48 I C 0.368 176.456 176.117 -0.048 0.000 1.075 48 I CA -0.210 61.034 61.300 -0.093 0.000 1.333 48 I CB 0.558 38.473 38.000 -0.142 0.000 1.415 48 I HN 0.597 nan 8.210 nan 0.000 0.502 49 D N 6.048 126.463 120.400 0.025 0.000 2.340 49 D HA 0.057 4.697 4.640 0.000 0.000 0.217 49 D C -0.183 176.278 176.300 0.269 0.000 1.081 49 D CA 0.006 54.091 54.000 0.142 0.000 0.842 49 D CB 0.017 40.925 40.800 0.181 0.000 0.934 49 D HN 0.285 nan 8.370 nan 0.000 0.511 50 F N -1.418 118.537 119.950 0.008 0.000 2.678 50 F HA 0.557 5.084 4.527 0.000 0.000 0.308 50 F C -1.643 174.153 175.800 -0.007 0.000 1.118 50 F CA -1.766 56.237 58.000 0.006 0.000 0.959 50 F CB 0.643 39.653 39.000 0.016 0.000 1.305 50 F HN -0.384 nan 8.300 nan 0.000 0.443 51 D N 1.796 122.219 120.400 0.038 0.000 2.210 51 D HA 0.609 5.249 4.640 0.000 0.000 0.249 51 D C -0.700 175.583 176.300 -0.029 0.000 1.078 51 D CA -0.254 53.700 54.000 -0.076 0.000 0.875 51 D CB 2.004 42.785 40.800 -0.031 0.000 1.175 51 D HN 0.777 nan 8.370 nan 0.000 0.440 52 V N -1.513 118.320 119.914 -0.135 0.000 3.000 52 V HA 0.843 4.963 4.120 0.000 0.000 0.300 52 V C -0.981 175.046 176.094 -0.112 0.000 1.251 52 V CA -1.308 60.956 62.300 -0.061 0.000 0.972 52 V CB 1.441 33.247 31.823 -0.029 0.000 1.065 52 V HN 0.636 nan 8.190 nan 0.000 0.431 53 A N 4.319 127.109 122.820 -0.050 0.000 2.312 53 A HA 0.946 5.266 4.320 0.000 0.000 0.326 53 A C -0.745 176.844 177.584 0.008 0.000 1.172 53 A CA -0.726 51.287 52.037 -0.040 0.000 0.821 53 A CB 1.159 20.167 19.000 0.013 0.000 1.166 53 A HN 1.048 nan 8.150 nan 0.000 0.493 54 L N 1.908 123.129 121.223 -0.002 0.000 2.333 54 L HA 0.301 4.641 4.340 0.000 0.000 0.280 54 L C 0.425 177.382 176.870 0.145 0.000 1.004 54 L CA -0.451 54.415 54.840 0.043 0.000 0.820 54 L CB 1.677 43.653 42.059 -0.139 0.000 1.247 54 L HN 0.992 nan 8.230 nan 0.000 0.416 55 Y N 1.412 121.791 120.300 0.132 0.000 2.286 55 Y HA -0.032 4.518 4.550 0.000 0.000 0.293 55 Y C 0.810 176.798 175.900 0.147 0.000 1.124 55 Y CA 1.140 59.316 58.100 0.127 0.000 1.178 55 Y CB 0.486 39.014 38.460 0.113 0.000 1.010 55 Y HN 0.537 nan 8.280 nan 0.000 0.536 56 D N 0.216 120.791 120.400 0.292 0.000 2.400 56 D HA 0.086 4.726 4.640 0.000 0.000 0.272 56 D C 0.741 177.184 176.300 0.238 0.000 1.220 56 D CA -0.175 53.968 54.000 0.238 0.000 0.897 56 D CB 0.451 41.494 40.800 0.404 0.000 1.134 56 D HN 0.253 nan 8.370 nan 0.000 0.507 57 L N 3.986 125.272 121.223 0.105 0.000 2.042 57 L HA -0.100 4.240 4.340 0.000 0.000 0.210 57 L C 1.603 178.529 176.870 0.094 0.000 1.076 57 L CA 1.926 56.812 54.840 0.076 0.000 0.749 57 L CB -0.865 41.217 42.059 0.039 0.000 0.893 57 L HN 0.334 nan 8.230 nan 0.000 0.432 58 N N -1.239 117.510 118.700 0.081 0.000 2.120 58 N HA -0.170 4.570 4.740 0.000 0.000 0.188 58 N C 1.803 177.347 175.510 0.056 0.000 1.024 58 N CA 1.623 54.707 53.050 0.057 0.000 0.852 58 N CB -0.119 38.401 38.487 0.055 0.000 1.003 58 N HN 0.406 nan 8.380 nan 0.000 0.424 59 S N -0.602 115.182 115.700 0.140 0.000 2.402 59 S HA -0.047 4.423 4.470 0.000 0.000 0.229 59 S C 1.524 176.076 174.600 -0.081 0.000 1.021 59 S CA 0.538 58.855 58.200 0.194 0.000 0.974 59 S CB -0.454 63.032 63.200 0.478 0.000 0.800 59 S HN 0.451 nan 8.310 nan 0.000 0.484 60 F N 2.776 122.426 119.950 -0.500 0.000 2.075 60 F HA -0.070 4.457 4.527 0.000 0.000 0.297 60 F C 1.796 177.245 175.800 -0.585 0.000 1.113 60 F CA 1.271 58.591 58.000 -1.134 0.000 1.218 60 F CB -0.589 37.853 39.000 -0.930 0.000 0.984 60 F HN 0.073 nan 8.300 nan 0.000 0.472 61 L N -0.408 120.624 121.223 -0.319 0.000 2.042 61 L HA -0.278 4.062 4.340 0.000 0.000 0.210 61 L C 2.504 179.199 176.870 -0.292 0.000 1.076 61 L CA 1.646 56.297 54.840 -0.314 0.000 0.749 61 L CB -1.105 40.881 42.059 -0.121 0.000 0.893 61 L HN 0.128 nan 8.230 nan 0.000 0.432 62 S N -0.169 115.414 115.700 -0.195 0.000 2.382 62 S HA -0.113 4.357 4.470 0.000 0.000 0.228 62 S C 1.958 176.463 174.600 -0.158 0.000 1.027 62 S CA 0.863 58.986 58.200 -0.128 0.000 0.991 62 S CB -0.156 63.018 63.200 -0.044 0.000 0.823 62 S HN 0.226 nan 8.310 nan 0.000 0.469 63 I N 1.844 122.272 120.570 -0.236 0.000 2.286 63 I HA -0.093 4.077 4.170 0.000 0.000 0.248 63 I C 1.950 177.911 176.117 -0.259 0.000 1.115 63 I CA 1.159 62.339 61.300 -0.201 0.000 1.392 63 I CB -1.126 36.739 38.000 -0.225 0.000 1.065 63 I HN 0.310 nan 8.210 nan 0.000 0.418 64 L N 0.445 121.429 121.223 -0.398 0.000 2.191 64 L HA -0.168 4.172 4.340 0.000 0.000 0.212 64 L C 2.436 179.182 176.870 -0.206 0.000 1.103 64 L CA 1.389 56.022 54.840 -0.344 0.000 0.769 64 L CB -0.654 41.145 42.059 -0.434 0.000 0.908 64 L HN 0.315 nan 8.230 nan 0.000 0.438 65 S N -0.533 115.065 115.700 -0.171 0.000 2.555 65 S HA 0.007 4.477 4.470 0.000 0.000 0.230 65 S C 1.577 176.124 174.600 -0.088 0.000 0.978 65 S CA 0.371 58.502 58.200 -0.114 0.000 0.934 65 S CB -0.250 62.894 63.200 -0.093 0.000 0.766 65 S HN 0.445 nan 8.310 nan 0.000 0.533 66 L N 1.450 122.617 121.223 -0.093 0.000 2.585 66 L HA 0.347 4.687 4.340 0.000 0.000 0.226 66 L C 0.603 177.433 176.870 -0.067 0.000 1.113 66 L CA -0.246 54.554 54.840 -0.065 0.000 0.876 66 L CB 0.288 42.318 42.059 -0.049 0.000 1.072 66 L HN 0.375 nan 8.230 nan 0.000 0.468 67 V N -5.047 114.815 119.914 -0.086 0.000 3.158 67 V HA 0.526 4.646 4.120 0.000 0.000 0.315 67 V C 0.400 176.449 176.094 -0.074 0.000 1.148 67 V CA -0.993 61.259 62.300 -0.079 0.000 1.042 67 V CB 1.665 33.432 31.823 -0.094 0.000 1.101 67 V HN -0.004 nan 8.190 nan 0.000 0.448 68 S N 0.339 116.001 115.700 -0.063 0.000 2.559 68 S HA -0.003 4.467 4.470 0.000 0.000 0.282 68 S C 0.837 175.400 174.600 -0.062 0.000 1.336 68 S CA 0.488 58.655 58.200 -0.054 0.000 1.037 68 S CB 0.079 63.252 63.200 -0.045 0.000 0.853 68 S HN 0.893 nan 8.310 nan 0.000 0.523 69 D N 1.711 122.078 120.400 -0.055 0.000 2.310 69 D HA -0.040 4.600 4.640 0.000 0.000 0.212 69 D C 0.389 176.659 176.300 -0.051 0.000 0.965 69 D CA 0.831 54.797 54.000 -0.058 0.000 0.879 69 D CB -0.075 40.695 40.800 -0.050 0.000 0.921 69 D HN 0.600 nan 8.370 nan 0.000 0.510 70 D N 0.453 120.828 120.400 -0.042 0.000 2.368 70 D HA 0.173 4.813 4.640 0.000 0.000 0.218 70 D C 0.506 176.788 176.300 -0.031 0.000 1.112 70 D CA -0.089 53.892 54.000 -0.033 0.000 0.834 70 D CB 0.318 41.102 40.800 -0.026 0.000 0.953 70 D HN 0.002 nan 8.370 nan 0.000 0.505 71 A N 1.124 123.919 122.820 -0.042 0.000 2.561 71 A HA 0.014 4.334 4.320 0.000 0.000 0.234 71 A C 0.491 178.062 177.584 -0.021 0.000 1.055 71 A CA 0.245 52.257 52.037 -0.042 0.000 0.756 71 A CB 0.273 19.234 19.000 -0.065 0.000 0.986 71 A HN -0.001 nan 8.150 nan 0.000 0.505 72 E N 1.551 121.744 120.200 -0.011 0.000 2.200 72 E HA 0.493 4.843 4.350 0.000 0.000 0.283 72 E C -0.783 175.840 176.600 0.040 0.000 1.015 72 E CA -0.075 56.335 56.400 0.016 0.000 0.819 72 E CB 0.396 30.102 29.700 0.010 0.000 1.081 72 E HN 0.446 nan 8.360 nan 0.000 0.397 73 I N 4.069 124.700 120.570 0.102 0.000 2.377 73 I HA 0.414 4.584 4.170 0.000 0.000 0.293 73 I C -0.030 176.234 176.117 0.245 0.000 0.987 73 I CA -0.501 60.914 61.300 0.193 0.000 1.185 73 I CB 1.251 39.411 38.000 0.267 0.000 1.341 73 I HN 0.610 nan 8.210 nan 0.000 0.455 74 S N 5.288 121.040 115.700 0.086 0.000 2.672 74 S HA 0.599 5.069 4.470 0.000 0.000 0.271 74 S C -0.839 173.421 174.600 -0.567 0.000 1.171 74 S CA -1.006 56.957 58.200 -0.395 0.000 0.817 74 S CB 1.713 64.775 63.200 -0.231 0.000 1.150 74 S HN 0.488 nan 8.310 nan 0.000 0.478 75 M N 2.785 121.842 119.600 -0.907 0.000 2.146 75 M HA 0.372 4.852 4.480 0.000 0.000 0.352 75 M C -0.136 176.118 176.300 -0.076 0.000 1.343 75 M CA 0.135 55.173 55.300 -0.435 0.000 1.115 75 M CB -0.290 32.044 32.600 -0.444 0.000 1.657 75 M HN 0.856 nan 8.290 nan 0.000 0.471 76 H N 2.270 121.315 119.070 -0.042 0.000 2.597 76 H HA 0.165 4.721 4.556 0.000 0.000 0.370 76 H C 0.584 175.901 175.328 -0.018 0.000 1.281 76 H CA 0.383 56.443 56.048 0.020 0.000 1.422 76 H CB 1.154 30.977 29.762 0.101 0.000 1.524 76 H HN 0.885 nan 8.280 nan 0.000 0.607 77 T N -1.111 113.248 114.554 -0.326 0.000 2.962 77 T HA -0.178 4.172 4.350 0.000 0.000 0.270 77 T C 1.032 175.556 174.700 -0.293 0.000 1.088 77 T CA 1.070 62.991 62.100 -0.300 0.000 1.127 77 T CB -0.188 68.499 68.868 -0.302 0.000 0.883 77 T HN 0.678 nan 8.240 nan 0.000 0.493 78 D N 0.815 120.980 120.400 -0.391 0.000 2.328 78 D HA 0.235 4.875 4.640 0.000 0.000 0.226 78 D C 1.615 177.864 176.300 -0.085 0.000 1.066 78 D CA 0.445 54.318 54.000 -0.212 0.000 0.861 78 D CB -0.667 40.005 40.800 -0.215 0.000 0.912 78 D HN 0.556 nan 8.370 nan 0.000 0.521 79 G N -0.110 108.662 108.800 -0.047 0.000 2.176 79 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 79 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 79 G C 0.166 175.105 174.900 0.065 0.000 0.979 79 G CA 0.132 45.238 45.100 0.010 0.000 0.641 79 G HN 0.519 nan 8.290 nan 0.000 0.530 80 N N -0.695 118.065 118.700 0.099 0.000 2.566 80 N HA 0.716 5.456 4.740 0.000 0.000 0.299 80 N C 0.226 175.882 175.510 0.242 0.000 1.277 80 N CA -0.713 52.438 53.050 0.168 0.000 0.965 80 N CB 0.852 39.436 38.487 0.162 0.000 1.142 80 N HN 0.202 nan 8.380 nan 0.000 0.596 81 I N 0.475 121.232 120.570 0.312 0.000 2.428 81 I HA 0.251 4.421 4.170 0.000 0.000 0.296 81 I C -0.010 176.322 176.117 0.358 0.000 0.985 81 I CA -0.433 61.074 61.300 0.345 0.000 1.260 81 I CB 1.299 39.554 38.000 0.425 0.000 1.389 81 I HN 0.339 nan 8.210 nan 0.000 0.484 82 K N 6.849 127.387 120.400 0.231 0.000 2.292 82 K HA 0.625 4.945 4.320 0.000 0.000 0.257 82 K C -1.356 175.268 176.600 0.041 0.000 0.940 82 K CA -0.554 55.784 56.287 0.085 0.000 0.811 82 K CB 1.488 33.992 32.500 0.008 0.000 1.120 82 K HN 0.574 nan 8.250 nan 0.000 0.428 83 I N 3.851 124.388 120.570 -0.056 0.000 2.405 83 I HA 0.267 4.437 4.170 0.000 0.000 0.280 83 I C -0.369 175.675 176.117 -0.122 0.000 1.027 83 I CA -0.705 60.568 61.300 -0.045 0.000 1.161 83 I CB 1.725 39.700 38.000 -0.042 0.000 1.300 83 I HN 0.639 nan 8.210 nan 0.000 0.463 84 A N 4.713 127.480 122.820 -0.089 0.000 2.310 84 A HA 0.355 4.675 4.320 0.000 0.000 0.300 84 A C -0.313 177.227 177.584 -0.073 0.000 1.269 84 A CA -0.272 51.709 52.037 -0.094 0.000 0.909 84 A CB 0.240 19.202 19.000 -0.064 0.000 1.144 84 A HN 0.629 nan 8.150 nan 0.000 0.540 85 D N 1.666 122.017 120.400 -0.082 0.000 2.506 85 D HA 0.356 4.996 4.640 0.000 0.000 0.272 85 D C 1.512 177.782 176.300 -0.050 0.000 1.214 85 D CA 0.042 54.003 54.000 -0.064 0.000 1.067 85 D CB 1.054 41.812 40.800 -0.068 0.000 1.117 85 D HN 0.355 nan 8.370 nan 0.000 0.578 86 T N 0.364 114.894 114.554 -0.041 0.000 2.622 86 T HA -0.131 4.219 4.350 0.000 0.000 0.266 86 T C 1.458 176.141 174.700 -0.029 0.000 1.047 86 T CA 1.399 63.480 62.100 -0.031 0.000 1.159 86 T CB -0.072 68.780 68.868 -0.027 0.000 0.863 86 T HN 0.342 nan 8.240 nan 0.000 0.422 87 R N 0.695 121.177 120.500 -0.031 0.000 2.508 87 R HA 0.313 4.653 4.340 0.000 0.000 0.300 87 R C 0.115 176.396 176.300 -0.032 0.000 0.970 87 R CA -0.075 56.010 56.100 -0.026 0.000 1.102 87 R CB 0.729 31.017 30.300 -0.020 0.000 1.246 87 R HN 0.419 nan 8.270 nan 0.000 0.539 88 S N -1.157 114.514 115.700 -0.048 0.000 2.705 88 S HA 0.577 5.047 4.470 0.000 0.000 0.280 88 S C -0.662 173.874 174.600 -0.107 0.000 1.174 88 S CA -0.742 57.420 58.200 -0.063 0.000 0.823 88 S CB 2.587 65.755 63.200 -0.054 0.000 1.162 88 S HN -0.110 nan 8.310 nan 0.000 0.487 89 T N 0.846 115.304 114.554 -0.160 0.000 2.971 89 T HA 0.632 4.982 4.350 0.000 0.000 0.304 89 T C -1.234 173.231 174.700 -0.392 0.000 1.038 89 T CA -0.540 61.377 62.100 -0.305 0.000 1.007 89 T CB 1.553 70.163 68.868 -0.430 0.000 1.055 89 T HN 0.652 nan 8.240 nan 0.000 0.451 90 V N 3.393 123.088 119.914 -0.365 0.000 2.459 90 V HA 0.522 4.642 4.120 0.000 0.000 0.295 90 V C -1.216 174.710 176.094 -0.281 0.000 1.029 90 V CA -0.855 61.309 62.300 -0.227 0.000 0.874 90 V CB 1.165 32.965 31.823 -0.040 0.000 0.985 90 V HN 0.795 nan 8.190 nan 0.000 0.438 91 Y N 2.721 123.093 120.300 0.119 0.000 2.387 91 Y HA 0.552 5.102 4.550 0.000 0.000 0.336 91 Y C -0.171 175.895 175.900 0.278 0.000 1.067 91 Y CA -0.742 57.444 58.100 0.142 0.000 1.114 91 Y CB 1.673 40.168 38.460 0.059 0.000 1.208 91 Y HN 0.622 nan 8.280 nan 0.000 0.458 92 W N 5.988 127.459 121.300 0.285 0.000 2.998 92 W HA 0.351 5.011 4.660 0.000 0.000 0.335 92 W C -3.018 173.617 176.519 0.192 0.000 1.110 92 W CA -2.264 55.229 57.345 0.247 0.000 1.230 92 W CB 2.670 32.341 29.460 0.352 0.000 1.405 92 W HN 0.347 nan 8.180 nan 0.000 0.493 93 P HA 0.204 nan 4.420 nan 0.000 0.276 93 P C -0.714 176.691 177.300 0.175 0.000 1.230 93 P CA 0.062 63.167 63.100 0.008 0.000 0.776 93 P CB 1.266 32.878 31.700 -0.147 0.000 0.888 94 A N 3.148 126.058 122.820 0.149 0.000 2.289 94 A HA 0.592 4.912 4.320 0.000 0.000 0.298 94 A C 0.477 178.124 177.584 0.106 0.000 1.208 94 A CA -0.554 51.571 52.037 0.146 0.000 0.845 94 A CB 0.154 19.236 19.000 0.138 0.000 1.125 94 A HN 0.641 nan 8.150 nan 0.000 0.517 95 A N 2.339 125.232 122.820 0.122 0.000 2.304 95 A HA 0.502 4.822 4.320 0.000 0.000 0.271 95 A C 0.017 177.662 177.584 0.103 0.000 1.091 95 A CA -0.298 51.812 52.037 0.122 0.000 0.812 95 A CB 0.129 19.256 19.000 0.210 0.000 1.056 95 A HN 0.857 nan 8.150 nan 0.000 0.489 96 D N 0.047 120.503 120.400 0.093 0.000 2.351 96 D HA 0.225 4.865 4.640 0.000 0.000 0.251 96 D C 1.029 177.414 176.300 0.142 0.000 1.137 96 D CA 0.020 54.074 54.000 0.090 0.000 0.879 96 D CB 0.720 41.559 40.800 0.064 0.000 1.181 96 D HN 0.472 nan 8.370 nan 0.000 0.448 97 K N 1.061 121.555 120.400 0.156 0.000 2.218 97 K HA -0.144 4.176 4.320 0.000 0.000 0.205 97 K C 1.541 178.325 176.600 0.308 0.000 1.046 97 K CA 1.323 57.775 56.287 0.275 0.000 0.933 97 K CB -0.072 32.590 32.500 0.271 0.000 0.728 97 K HN 0.460 nan 8.250 nan 0.000 0.454 98 S N -0.067 115.740 115.700 0.179 0.000 2.603 98 S HA -0.039 4.431 4.470 0.000 0.000 0.220 98 S C 1.514 176.177 174.600 0.106 0.000 0.967 98 S CA 0.870 59.138 58.200 0.114 0.000 0.920 98 S CB -0.176 63.069 63.200 0.075 0.000 0.773 98 S HN 0.336 nan 8.310 nan 0.000 0.529 99 T N 0.059 114.707 114.554 0.157 0.000 3.069 99 T HA 0.472 4.822 4.350 0.000 0.000 0.252 99 T C 0.448 175.298 174.700 0.250 0.000 1.053 99 T CA -0.533 61.682 62.100 0.193 0.000 0.964 99 T CB -0.712 68.275 68.868 0.197 0.000 1.005 99 T HN 0.666 nan 8.240 nan 0.000 0.532 100 I N -2.287 118.404 120.570 0.201 0.000 3.042 100 I HA 0.867 5.037 4.170 0.000 0.000 0.310 100 I C -1.384 174.766 176.117 0.054 0.000 1.117 100 I CA -1.892 59.500 61.300 0.153 0.000 1.003 100 I CB 2.358 40.491 38.000 0.222 0.000 1.228 100 I HN -0.302 nan 8.210 nan 0.000 0.443 101 V N 3.485 123.402 119.914 0.004 0.000 2.459 101 V HA 0.634 4.754 4.120 0.000 0.000 0.295 101 V C -0.705 175.375 176.094 -0.024 0.000 1.029 101 V CA -0.292 61.925 62.300 -0.138 0.000 0.874 101 V CB 1.180 32.950 31.823 -0.089 0.000 0.985 101 V HN 0.685 nan 8.190 nan 0.000 0.438 102 F N 3.582 123.544 119.950 0.020 0.000 2.654 102 F HA 0.875 5.402 4.527 0.000 0.000 0.308 102 F C -3.154 172.675 175.800 0.048 0.000 1.108 102 F CA -3.137 54.878 58.000 0.024 0.000 0.957 102 F CB 0.789 39.802 39.000 0.022 0.000 1.309 102 F HN 0.255 nan 8.300 nan 0.000 0.446 103 P HA 0.307 nan 4.420 nan 0.000 0.275 103 P C -0.128 177.385 177.300 0.356 0.000 1.227 103 P CA -0.345 62.918 63.100 0.272 0.000 0.781 103 P CB 0.800 32.701 31.700 0.336 0.000 0.906 104 N N 1.265 120.110 118.700 0.241 0.000 2.415 104 N HA 0.021 4.761 4.740 0.000 0.000 0.176 104 N C 0.184 175.798 175.510 0.172 0.000 1.042 104 N CA 1.021 54.218 53.050 0.246 0.000 0.902 104 N CB 0.263 38.848 38.487 0.163 0.000 0.986 104 N HN 0.349 nan 8.380 nan 0.000 0.447 105 K N 0.476 120.962 120.400 0.144 0.000 2.527 105 K HA 0.401 4.721 4.320 0.000 0.000 0.260 105 K C -2.570 174.108 176.600 0.131 0.000 0.937 105 K CA -1.593 54.760 56.287 0.110 0.000 0.826 105 K CB 2.572 35.099 32.500 0.045 0.000 1.359 105 K HN -0.132 nan 8.250 nan 0.000 0.434 106 P HA 0.197 nan 4.420 nan 0.000 0.272 106 P C -0.133 177.152 177.300 -0.025 0.000 1.240 106 P CA -0.464 62.778 63.100 0.235 0.000 0.791 106 P CB 0.567 32.409 31.700 0.236 0.000 0.978 107 I N 1.942 122.360 120.570 -0.254 0.000 2.441 107 I HA 0.097 4.267 4.170 0.000 0.000 0.287 107 I C 0.955 176.996 176.117 -0.127 0.000 1.049 107 I CA -0.076 61.005 61.300 -0.366 0.000 1.381 107 I CB 0.027 37.574 38.000 -0.754 0.000 1.409 107 I HN 0.277 nan 8.210 nan 0.000 0.523 108 Q N 6.117 125.842 119.800 -0.124 0.000 2.465 108 Q HA 0.275 4.616 4.340 0.000 0.000 0.237 108 Q C -0.633 175.293 176.000 -0.124 0.000 1.051 108 Q CA -0.611 55.137 55.803 -0.092 0.000 0.874 108 Q CB 1.106 29.775 28.738 -0.115 0.000 1.207 108 Q HN 0.391 nan 8.270 nan 0.000 0.508 109 F N 5.763 125.584 119.950 -0.215 0.000 2.538 109 F HA 0.176 4.703 4.527 0.000 0.000 0.371 109 F C -1.437 174.138 175.800 -0.374 0.000 1.087 109 F CA -1.514 56.311 58.000 -0.291 0.000 1.250 109 F CB 0.502 39.383 39.000 -0.198 0.000 1.110 109 F HN 0.359 nan 8.300 nan 0.000 0.570 110 P HA 0.097 nan 4.420 nan 0.000 0.271 110 P C -0.823 176.088 177.300 -0.649 0.000 1.233 110 P CA -0.371 62.137 63.100 -0.988 0.000 0.789 110 P CB 0.580 31.256 31.700 -1.707 0.000 0.951 111 V N -1.605 118.098 119.914 -0.352 0.000 2.599 111 V HA 0.330 4.450 4.120 0.000 0.000 0.300 111 V C 0.515 176.551 176.094 -0.096 0.000 1.034 111 V CA -0.807 61.410 62.300 -0.139 0.000 1.115 111 V CB -0.930 30.854 31.823 -0.066 0.000 0.934 111 V HN 0.745 nan 8.190 nan 0.000 0.485 112 A N 4.277 127.100 122.820 0.005 0.000 2.483 112 A HA 0.435 4.755 4.320 0.000 0.000 0.238 112 A C 1.361 178.919 177.584 -0.043 0.000 1.070 112 A CA 0.445 52.508 52.037 0.043 0.000 0.770 112 A CB 0.208 19.240 19.000 0.054 0.000 1.008 112 A HN 1.168 nan 8.150 nan 0.000 0.497 113 S N -0.418 115.158 115.700 -0.207 0.000 2.406 113 S HA 0.177 4.647 4.470 0.000 0.000 0.224 113 S C 0.615 174.942 174.600 -0.454 0.000 1.030 113 S CA 1.040 58.884 58.200 -0.594 0.000 0.958 113 S CB -0.263 62.041 63.200 -1.493 0.000 0.811 113 S HN 1.317 nan 8.310 nan 0.000 0.489 114 V N -0.544 119.165 119.914 -0.341 0.000 2.932 114 V HA 0.646 4.766 4.120 0.000 0.000 0.307 114 V C -1.208 174.823 176.094 -0.105 0.000 1.147 114 V CA -1.063 61.155 62.300 -0.136 0.000 0.951 114 V CB 1.752 33.443 31.823 -0.221 0.000 1.031 114 V HN 0.145 nan 8.190 nan 0.000 0.426 115 I N 2.530 123.098 120.570 -0.004 0.000 2.509 115 I HA 0.797 4.968 4.170 0.000 0.000 0.293 115 I C 0.071 176.205 176.117 0.028 0.000 1.020 115 I CA -0.149 61.144 61.300 -0.012 0.000 1.088 115 I CB 2.361 40.368 38.000 0.011 0.000 1.267 115 I HN 1.006 nan 8.210 nan 0.000 0.430 116 T N 3.992 118.543 114.554 -0.004 0.000 2.618 116 T HA 0.593 4.943 4.350 0.000 0.000 0.293 116 T C -1.838 172.874 174.700 0.019 0.000 1.093 116 T CA -0.416 61.704 62.100 0.034 0.000 1.061 116 T CB 1.906 70.802 68.868 0.046 0.000 1.498 116 T HN 0.830 nan 8.240 nan 0.000 0.494 117 E N 0.065 120.294 120.200 0.050 0.000 2.423 117 E HA 0.669 5.019 4.350 0.000 0.000 0.280 117 E C -1.793 174.870 176.600 0.106 0.000 1.030 117 E CA -1.002 55.441 56.400 0.072 0.000 0.812 117 E CB 1.821 31.564 29.700 0.071 0.000 1.313 117 E HN 0.644 nan 8.360 nan 0.000 0.456 118 I N 1.088 121.750 120.570 0.154 0.000 2.571 118 I HA 0.377 4.547 4.170 0.000 0.000 0.289 118 I C -1.116 175.107 176.117 0.177 0.000 1.115 118 I CA -0.883 60.518 61.300 0.168 0.000 1.045 118 I CB 1.590 39.714 38.000 0.205 0.000 1.238 118 I HN 0.432 nan 8.210 nan 0.000 0.424 119 K N 4.934 125.412 120.400 0.130 0.000 2.258 119 K HA 0.309 4.629 4.320 0.000 0.000 0.264 119 K C 0.882 177.556 176.600 0.123 0.000 1.007 119 K CA 0.347 56.698 56.287 0.107 0.000 0.941 119 K CB 1.432 33.978 32.500 0.078 0.000 0.966 119 K HN 0.785 nan 8.250 nan 0.000 0.480 120 A N 2.172 125.054 122.820 0.103 0.000 1.917 120 A HA -0.234 4.086 4.320 0.000 0.000 0.219 120 A C 2.059 179.693 177.584 0.083 0.000 1.182 120 A CA 2.048 54.147 52.037 0.104 0.000 0.633 120 A CB -0.377 18.663 19.000 0.066 0.000 0.819 120 A HN 0.898 nan 8.150 nan 0.000 0.448 121 E N -0.511 119.728 120.200 0.066 0.000 2.077 121 E HA -0.222 4.128 4.350 0.000 0.000 0.193 121 E C 1.200 177.839 176.600 0.066 0.000 0.989 121 E CA 1.346 57.780 56.400 0.056 0.000 0.800 121 E CB -0.095 29.634 29.700 0.048 0.000 0.746 121 E HN 0.575 nan 8.360 nan 0.000 0.452 122 D N 0.496 120.946 120.400 0.083 0.000 2.149 122 D HA -0.139 4.501 4.640 0.000 0.000 0.201 122 D C 1.996 178.358 176.300 0.104 0.000 0.972 122 D CA 0.466 54.527 54.000 0.102 0.000 0.835 122 D CB -0.276 40.589 40.800 0.107 0.000 0.966 122 D HN 0.185 nan 8.370 nan 0.000 0.476 123 L N 0.971 122.253 121.223 0.098 0.000 2.046 123 L HA -0.168 4.172 4.340 0.000 0.000 0.208 123 L C 2.250 179.135 176.870 0.025 0.000 1.077 123 L CA 1.752 56.633 54.840 0.068 0.000 0.747 123 L CB -0.650 41.460 42.059 0.085 0.000 0.896 123 L HN -0.030 nan 8.230 nan 0.000 0.432 124 Q N -0.851 118.969 119.800 0.033 0.000 2.061 124 Q HA -0.315 4.025 4.340 0.000 0.000 0.204 124 Q C 2.360 178.351 176.000 -0.015 0.000 0.984 124 Q CA 2.328 58.136 55.803 0.007 0.000 0.846 124 Q CB -0.279 28.471 28.738 0.019 0.000 0.902 124 Q HN 0.749 nan 8.270 nan 0.000 0.421 125 Q N -0.185 119.618 119.800 0.006 0.000 2.079 125 Q HA -0.186 4.154 4.340 0.000 0.000 0.200 125 Q C 2.210 178.138 176.000 -0.120 0.000 0.974 125 Q CA 1.268 57.057 55.803 -0.023 0.000 0.840 125 Q CB -0.124 28.646 28.738 0.053 0.000 0.898 125 Q HN 0.438 nan 8.270 nan 0.000 0.430 126 L N 0.848 122.039 121.223 -0.054 0.000 1.971 126 L HA -0.234 4.106 4.340 0.000 0.000 0.215 126 L C 2.084 178.847 176.870 -0.180 0.000 1.072 126 L CA 1.817 56.585 54.840 -0.120 0.000 0.758 126 L CB -0.743 41.347 42.059 0.052 0.000 0.889 126 L HN 0.317 nan 8.230 nan 0.000 0.433 127 L N -0.922 120.232 121.223 -0.114 0.000 1.989 127 L HA -0.221 4.120 4.340 0.000 0.000 0.211 127 L C 2.884 179.682 176.870 -0.120 0.000 1.071 127 L CA 1.252 56.023 54.840 -0.114 0.000 0.749 127 L CB -0.760 41.241 42.059 -0.096 0.000 0.890 127 L HN 0.290 nan 8.230 nan 0.000 0.431 128 R N -0.086 120.346 120.500 -0.113 0.000 2.070 128 R HA -0.110 4.230 4.340 0.000 0.000 0.233 128 R C 2.249 178.465 176.300 -0.140 0.000 1.137 128 R CA 1.213 57.250 56.100 -0.104 0.000 0.945 128 R CB -1.128 29.124 30.300 -0.080 0.000 0.845 128 R HN 0.241 nan 8.270 nan 0.000 0.430 129 V N 1.360 121.141 119.914 -0.222 0.000 2.343 129 V HA -0.236 3.884 4.120 0.000 0.000 0.247 129 V C 2.398 178.348 176.094 -0.240 0.000 1.051 129 V CA 1.993 64.123 62.300 -0.284 0.000 1.036 129 V CB -0.587 30.897 31.823 -0.566 0.000 0.654 129 V HN 0.299 nan 8.190 nan 0.000 0.451 130 S N -0.158 115.397 115.700 -0.242 0.000 2.372 130 S HA -0.287 4.183 4.470 0.000 0.000 0.227 130 S C 2.047 176.590 174.600 -0.096 0.000 1.044 130 S CA 1.950 60.060 58.200 -0.150 0.000 1.050 130 S CB -0.382 62.748 63.200 -0.117 0.000 0.901 130 S HN 0.589 nan 8.310 nan 0.000 0.447 131 R N 0.556 121.001 120.500 -0.091 0.000 2.073 131 R HA -0.040 4.300 4.340 0.000 0.000 0.234 131 R C 2.705 178.973 176.300 -0.054 0.000 1.134 131 R CA 1.287 57.349 56.100 -0.063 0.000 0.952 131 R CB -0.816 29.449 30.300 -0.058 0.000 0.850 131 R HN 0.485 nan 8.270 nan 0.000 0.433 132 G N 0.607 109.368 108.800 -0.066 0.000 2.484 132 G HA2 -0.131 3.829 3.960 0.000 0.000 0.218 132 G HA3 -0.131 3.829 3.960 0.000 0.000 0.218 132 G C 1.236 176.110 174.900 -0.043 0.000 1.130 132 G CA 0.314 45.383 45.100 -0.051 0.000 0.784 132 G HN 0.147 nan 8.290 nan 0.000 0.543 133 L N -0.730 120.461 121.223 -0.053 0.000 2.693 133 L HA 0.239 4.579 4.340 0.000 0.000 0.235 133 L C 0.615 177.474 176.870 -0.019 0.000 1.127 133 L CA -0.090 54.729 54.840 -0.035 0.000 0.914 133 L CB 0.067 42.101 42.059 -0.043 0.000 1.193 133 L HN 0.229 nan 8.230 nan 0.000 0.502 134 Q N 0.604 120.391 119.800 -0.022 0.000 2.463 134 Q HA -0.174 4.166 4.340 0.000 0.000 0.299 134 Q C -0.312 175.691 176.000 0.004 0.000 1.353 134 Q CA 0.537 56.336 55.803 -0.007 0.000 0.828 134 Q CB -1.780 26.959 28.738 0.002 0.000 1.157 134 Q HN 0.464 nan 8.270 nan 0.000 0.436 135 I N 1.664 122.231 120.570 -0.006 0.000 2.312 135 I HA 0.073 4.243 4.170 0.000 0.000 0.291 135 I C 0.970 177.101 176.117 0.024 0.000 1.031 135 I CA -0.146 61.164 61.300 0.017 0.000 1.293 135 I CB 0.727 38.724 38.000 -0.005 0.000 1.403 135 I HN 0.248 nan 8.210 nan 0.000 0.484 136 D N 2.466 122.896 120.400 0.050 0.000 2.398 136 D HA 0.071 4.711 4.640 0.000 0.000 0.210 136 D C 0.042 176.380 176.300 0.063 0.000 1.094 136 D CA 0.068 54.093 54.000 0.041 0.000 0.839 136 D CB 0.563 41.385 40.800 0.036 0.000 0.963 136 D HN 0.308 nan 8.370 nan 0.000 0.506 137 T N 0.503 115.121 114.554 0.107 0.000 2.956 137 T HA 0.575 4.925 4.350 0.000 0.000 0.312 137 T C -0.423 174.411 174.700 0.223 0.000 1.151 137 T CA -0.881 61.304 62.100 0.142 0.000 1.024 137 T CB 1.937 70.887 68.868 0.136 0.000 1.140 137 T HN 0.220 nan 8.240 nan 0.000 0.473 138 I N -0.753 119.942 120.570 0.209 0.000 2.785 138 I HA 1.007 5.177 4.170 0.000 0.000 0.302 138 I C -0.842 175.439 176.117 0.274 0.000 1.069 138 I CA -1.524 59.927 61.300 0.251 0.000 1.045 138 I CB 2.117 40.226 38.000 0.182 0.000 1.236 138 I HN 0.742 nan 8.210 nan 0.000 0.429 139 A N 5.734 128.746 122.820 0.320 0.000 2.359 139 A HA 0.810 5.130 4.320 0.000 0.000 0.303 139 A C -0.841 176.898 177.584 0.258 0.000 1.066 139 A CA -0.559 51.651 52.037 0.289 0.000 0.730 139 A CB 1.056 20.238 19.000 0.305 0.000 1.211 139 A HN 0.705 nan 8.150 nan 0.000 0.439 140 I N 2.175 122.920 120.570 0.290 0.000 2.312 140 I HA 0.512 4.682 4.170 0.000 0.000 0.290 140 I C 0.368 176.694 176.117 0.349 0.000 1.008 140 I CA -0.134 61.344 61.300 0.296 0.000 1.226 140 I CB 1.718 39.906 38.000 0.315 0.000 1.371 140 I HN 0.648 nan 8.210 nan 0.000 0.468 141 T N 4.815 119.493 114.554 0.206 0.000 2.841 141 T HA 0.337 4.687 4.350 0.000 0.000 0.296 141 T C -1.149 173.438 174.700 -0.187 0.000 1.166 141 T CA -0.897 61.200 62.100 -0.006 0.000 1.007 141 T CB 1.506 70.336 68.868 -0.063 0.000 1.253 141 T HN 0.707 nan 8.240 nan 0.000 0.511 142 N N 2.484 120.821 118.700 -0.605 0.000 2.434 142 N HA 0.344 5.084 4.740 0.000 0.000 0.272 142 N C -0.919 174.475 175.510 -0.194 0.000 1.040 142 N CA -0.589 52.193 53.050 -0.447 0.000 0.956 142 N CB 1.355 39.426 38.487 -0.693 0.000 1.108 142 N HN 0.667 nan 8.380 nan 0.000 0.481 143 K N 2.044 122.408 120.400 -0.060 0.000 2.581 143 K HA 0.113 4.433 4.320 0.000 0.000 0.249 143 K C -1.311 175.295 176.600 0.010 0.000 0.966 143 K CA -0.424 55.844 56.287 -0.031 0.000 0.811 143 K CB 0.827 33.308 32.500 -0.032 0.000 1.223 143 K HN 0.460 nan 8.250 nan 0.000 0.438 144 D N 3.570 123.975 120.400 0.008 0.000 2.697 144 D HA -0.197 4.443 4.640 0.000 0.000 0.235 144 D C 0.636 176.958 176.300 0.036 0.000 1.167 144 D CA 1.881 55.890 54.000 0.015 0.000 0.656 144 D CB -1.236 39.568 40.800 0.005 0.000 1.025 144 D HN 1.121 nan 8.370 nan 0.000 0.419 145 G N -0.680 108.159 108.800 0.064 0.000 2.148 145 G HA2 -0.360 3.600 3.960 0.000 0.000 0.254 145 G HA3 -0.360 3.600 3.960 0.000 0.000 0.254 145 G C 0.294 175.275 174.900 0.135 0.000 0.981 145 G CA 0.970 46.118 45.100 0.081 0.000 0.670 145 G HN 0.584 nan 8.290 nan 0.000 0.528 146 K N -0.879 119.609 120.400 0.147 0.000 2.466 146 K HA 0.702 5.022 4.320 0.000 0.000 0.260 146 K C -0.602 176.075 176.600 0.128 0.000 1.011 146 K CA -1.193 55.182 56.287 0.147 0.000 0.871 146 K CB 1.595 34.144 32.500 0.080 0.000 1.404 146 K HN -0.019 nan 8.250 nan 0.000 0.450 147 I N 2.886 123.528 120.570 0.120 0.000 2.336 147 I HA 0.303 4.473 4.170 0.000 0.000 0.292 147 I C -0.124 176.039 176.117 0.076 0.000 0.991 147 I CA -0.563 60.791 61.300 0.090 0.000 1.227 147 I CB 1.071 39.148 38.000 0.128 0.000 1.366 147 I HN 0.413 nan 8.210 nan 0.000 0.466 148 V N 5.332 125.282 119.914 0.060 0.000 3.040 148 V HA 0.672 4.792 4.120 0.000 0.000 0.312 148 V C -0.599 175.533 176.094 0.063 0.000 1.115 148 V CA -0.840 61.483 62.300 0.038 0.000 0.998 148 V CB 2.740 34.558 31.823 -0.008 0.000 1.042 148 V HN 0.458 nan 8.190 nan 0.000 0.433 149 I N 2.976 123.569 120.570 0.039 0.000 2.378 149 I HA 0.509 4.679 4.170 0.000 0.000 0.291 149 I C -0.610 175.508 176.117 0.002 0.000 0.992 149 I CA -0.470 60.876 61.300 0.078 0.000 1.154 149 I CB 1.674 39.748 38.000 0.123 0.000 1.315 149 I HN 0.667 nan 8.210 nan 0.000 0.448 150 N N 4.481 123.204 118.700 0.039 0.000 2.372 150 N HA 0.463 5.203 4.740 0.000 0.000 0.291 150 N C -0.294 175.136 175.510 -0.132 0.000 1.024 150 N CA -0.365 52.614 53.050 -0.118 0.000 0.873 150 N CB 2.503 40.905 38.487 -0.142 0.000 1.206 150 N HN 0.763 nan 8.380 nan 0.000 0.486 151 G N 1.189 109.870 108.800 -0.198 0.000 2.356 151 G HA2 0.585 4.545 3.960 0.000 0.000 0.322 151 G HA3 0.585 4.545 3.960 0.000 0.000 0.322 151 G C -1.242 173.466 174.900 -0.319 0.000 1.125 151 G CA -0.109 44.946 45.100 -0.076 0.000 0.885 151 G HN 0.387 nan 8.290 nan 0.000 0.467 152 Y N 0.204 120.547 120.300 0.072 0.000 2.634 152 Y HA 0.478 5.029 4.550 0.000 0.000 0.340 152 Y C 0.080 176.002 175.900 0.037 0.000 1.058 152 Y CA -1.417 56.714 58.100 0.051 0.000 1.081 152 Y CB 2.213 40.699 38.460 0.044 0.000 1.295 152 Y HN 0.456 nan 8.280 nan 0.000 0.487 153 N N 1.550 120.377 118.700 0.211 0.000 2.626 153 N HA 0.116 4.856 4.740 0.000 0.000 0.242 153 N C 0.240 175.816 175.510 0.110 0.000 1.005 153 N CA -0.205 52.916 53.050 0.118 0.000 0.905 153 N CB 1.083 39.616 38.487 0.078 0.000 1.128 153 N HN 0.810 nan 8.380 nan 0.000 0.512 154 K N 2.267 122.719 120.400 0.088 0.000 2.283 154 K HA -0.010 4.310 4.320 0.000 0.000 0.202 154 K C 1.138 177.756 176.600 0.031 0.000 1.048 154 K CA 0.793 57.108 56.287 0.047 0.000 0.948 154 K CB 0.370 32.888 32.500 0.030 0.000 0.742 154 K HN 0.309 nan 8.250 nan 0.000 0.458 155 V N 2.133 122.067 119.914 0.034 0.000 2.407 155 V HA -0.234 3.886 4.120 0.000 0.000 0.248 155 V C 1.913 178.021 176.094 0.023 0.000 1.055 155 V CA 2.264 64.578 62.300 0.024 0.000 1.049 155 V CB -0.437 31.400 31.823 0.023 0.000 0.662 155 V HN 0.536 nan 8.190 nan 0.000 0.455 156 E N -0.233 119.986 120.200 0.032 0.000 2.498 156 E HA 0.056 4.406 4.350 0.000 0.000 0.203 156 E C 0.196 176.817 176.600 0.035 0.000 1.013 156 E CA 0.411 56.829 56.400 0.030 0.000 0.927 156 E CB 0.311 30.031 29.700 0.032 0.000 1.012 156 E HN 0.512 nan 8.360 nan 0.000 0.482 157 D N 1.247 121.672 120.400 0.041 0.000 2.849 157 D HA 0.037 4.677 4.640 0.000 0.000 0.314 157 D C 0.833 177.134 176.300 0.002 0.000 1.210 157 D CA -0.010 54.014 54.000 0.039 0.000 0.756 157 D CB 0.667 41.523 40.800 0.093 0.000 1.222 157 D HN 0.024 nan 8.370 nan 0.000 0.521 158 S N -0.452 115.243 115.700 -0.007 0.000 2.400 158 S HA -0.101 4.369 4.470 0.000 0.000 0.232 158 S C 1.992 176.558 174.600 -0.057 0.000 1.025 158 S CA 1.050 59.235 58.200 -0.025 0.000 0.993 158 S CB -0.311 62.880 63.200 -0.014 0.000 0.808 158 S HN 0.325 nan 8.310 nan 0.000 0.478 159 G N 0.790 109.556 108.800 -0.057 0.000 2.920 159 G HA2 0.382 4.342 3.960 0.000 0.000 0.208 159 G HA3 0.382 4.342 3.960 0.000 0.000 0.208 159 G C 0.442 175.249 174.900 -0.154 0.000 1.159 159 G CA -0.233 44.819 45.100 -0.080 0.000 0.784 159 G HN 0.597 nan 8.290 nan 0.000 0.535 160 L N 0.476 121.566 121.223 -0.222 0.000 3.746 160 L HA -0.204 4.136 4.340 0.000 0.000 0.542 160 L C 1.417 178.049 176.870 -0.397 0.000 1.268 160 L CA 0.513 55.012 54.840 -0.568 0.000 0.818 160 L CB -1.843 39.734 42.059 -0.802 0.000 1.472 160 L HN 0.351 nan 8.230 nan 0.000 0.843 161 T N -1.422 113.111 114.554 -0.035 0.000 2.975 161 T HA 0.198 4.548 4.350 0.000 0.000 0.257 161 T C 0.906 175.739 174.700 0.221 0.000 1.003 161 T CA 0.143 62.302 62.100 0.098 0.000 0.932 161 T CB 0.233 69.122 68.868 0.036 0.000 1.087 161 T HN 0.433 nan 8.240 nan 0.000 0.512 162 R N 3.043 123.716 120.500 0.288 0.000 2.505 162 R HA 0.340 4.680 4.340 0.000 0.000 0.284 162 R C -2.767 173.620 176.300 0.145 0.000 1.324 162 R CA -1.804 54.410 56.100 0.189 0.000 1.432 162 R CB 1.113 31.483 30.300 0.116 0.000 1.107 162 R HN 0.347 nan 8.270 nan 0.000 0.587 163 P HA -0.027 nan 4.420 nan 0.000 0.264 163 P C -0.467 176.731 177.300 -0.170 0.000 1.193 163 P CA 0.141 63.010 63.100 -0.385 0.000 0.763 163 P CB 1.024 32.500 31.700 -0.373 0.000 0.810 164 K N 1.578 121.885 120.400 -0.155 0.000 2.353 164 K HA 0.105 4.425 4.320 0.000 0.000 0.195 164 K C 0.065 176.701 176.600 0.060 0.000 1.031 164 K CA 0.256 56.527 56.287 -0.027 0.000 1.079 164 K CB 0.264 32.762 32.500 -0.004 0.000 0.857 164 K HN 0.470 nan 8.250 nan 0.000 0.535 165 Y N -0.328 119.879 120.300 -0.155 0.000 2.592 165 Y HA 0.394 4.944 4.550 0.000 0.000 0.334 165 Y C -1.829 173.996 175.900 -0.125 0.000 1.136 165 Y CA -1.143 56.892 58.100 -0.109 0.000 1.042 165 Y CB 2.301 40.711 38.460 -0.083 0.000 1.325 165 Y HN -0.216 nan 8.280 nan 0.000 0.457 166 S N 4.768 119.986 115.700 -0.803 0.000 2.603 166 S HA 0.707 5.177 4.470 0.000 0.000 0.274 166 S C -2.550 171.564 174.600 -0.809 0.000 1.168 166 S CA -0.544 57.282 58.200 -0.625 0.000 0.963 166 S CB 0.981 63.999 63.200 -0.304 0.000 1.078 166 S HN 0.822 nan 8.310 nan 0.000 0.477 167 L N 4.337 125.233 121.223 -0.545 0.000 2.385 167 L HA 0.718 5.058 4.340 0.000 0.000 0.273 167 L C -0.434 176.367 176.870 -0.115 0.000 0.990 167 L CA 0.140 54.792 54.840 -0.313 0.000 0.821 167 L CB 2.141 44.108 42.059 -0.154 0.000 1.279 167 L HN 0.612 nan 8.230 nan 0.000 0.412 168 T N 5.932 120.447 114.554 -0.066 0.000 2.771 168 T HA 0.421 4.771 4.350 0.000 0.000 0.291 168 T C 1.090 175.805 174.700 0.026 0.000 0.954 168 T CA -0.222 61.871 62.100 -0.013 0.000 1.045 168 T CB 0.817 69.679 68.868 -0.009 0.000 0.917 168 T HN 0.560 nan 8.240 nan 0.000 0.484 169 L N 2.247 123.500 121.223 0.050 0.000 2.428 169 L HA 0.320 4.660 4.340 0.000 0.000 0.190 169 L C 1.339 178.255 176.870 0.075 0.000 1.255 169 L CA -0.010 54.873 54.840 0.070 0.000 0.848 169 L CB -0.296 41.814 42.059 0.086 0.000 1.088 169 L HN 0.648 nan 8.230 nan 0.000 0.500 170 T N -3.354 111.256 114.554 0.093 0.000 2.901 170 T HA 0.360 4.710 4.350 0.000 0.000 0.293 170 T C -0.888 173.890 174.700 0.131 0.000 1.084 170 T CA -0.956 61.206 62.100 0.103 0.000 1.008 170 T CB 2.006 70.940 68.868 0.111 0.000 1.170 170 T HN -0.038 nan 8.240 nan 0.000 0.509 171 D N 0.722 121.195 120.400 0.122 0.000 2.399 171 D HA 0.219 4.859 4.640 0.000 0.000 0.241 171 D C -1.081 175.352 176.300 0.222 0.000 1.133 171 D CA 0.505 54.585 54.000 0.134 0.000 0.890 171 D CB 0.613 41.465 40.800 0.086 0.000 1.201 171 D HN 0.614 nan 8.370 nan 0.000 0.432 172 Y N 0.788 121.129 120.300 0.069 0.000 2.361 172 Y HA 0.177 4.727 4.550 0.000 0.000 0.328 172 Y C -1.083 174.859 175.900 0.070 0.000 1.044 172 Y CA -0.740 57.417 58.100 0.094 0.000 1.085 172 Y CB 1.582 40.121 38.460 0.131 0.000 1.194 172 Y HN 0.162 nan 8.280 nan 0.000 0.438 173 D N 4.464 124.551 120.400 -0.522 0.000 2.891 173 D HA 0.255 4.895 4.640 0.000 0.000 0.312 173 D C 0.159 176.097 176.300 -0.604 0.000 1.354 173 D CA 0.113 53.837 54.000 -0.460 0.000 0.838 173 D CB 0.682 41.370 40.800 -0.187 0.000 1.117 173 D HN 0.783 nan 8.370 nan 0.000 0.473 174 G N -0.439 107.571 108.800 -1.316 0.000 2.462 174 G HA2 0.321 4.281 3.960 0.000 0.000 0.319 174 G HA3 0.321 4.281 3.960 0.000 0.000 0.319 174 G C 1.106 175.869 174.900 -0.229 0.000 1.171 174 G CA -0.313 44.429 45.100 -0.596 0.000 0.920 174 G HN 0.069 nan 8.290 nan 0.000 0.499 175 S N -0.036 115.661 115.700 -0.004 0.000 2.439 175 S HA 0.023 4.493 4.470 0.000 0.000 0.224 175 S C 0.922 175.552 174.600 0.049 0.000 1.029 175 S CA -0.188 58.019 58.200 0.011 0.000 0.946 175 S CB -0.244 62.959 63.200 0.005 0.000 0.797 175 S HN 0.510 nan 8.310 nan 0.000 0.504 176 N N 3.149 121.919 118.700 0.117 0.000 2.381 176 N HA 0.167 4.907 4.740 0.000 0.000 0.241 176 N C -0.828 174.671 175.510 -0.018 0.000 1.279 176 N CA 0.458 53.489 53.050 -0.032 0.000 0.896 176 N CB 0.108 38.438 38.487 -0.261 0.000 1.118 176 N HN 0.417 nan 8.380 nan 0.000 0.438 177 N N 0.859 119.442 118.700 -0.195 0.000 2.258 177 N HA 0.516 5.256 4.740 0.000 0.000 0.299 177 N C -1.109 174.225 175.510 -0.293 0.000 1.047 177 N CA -0.343 52.515 53.050 -0.321 0.000 0.814 177 N CB 1.687 40.038 38.487 -0.227 0.000 1.413 177 N HN 0.405 nan 8.380 nan 0.000 0.478 178 F N -0.920 118.881 119.950 -0.249 0.000 2.678 178 F HA 0.494 5.022 4.527 0.000 0.000 0.308 178 F C -0.942 174.641 175.800 -0.361 0.000 1.118 178 F CA -1.150 56.611 58.000 -0.397 0.000 0.959 178 F CB 1.389 40.047 39.000 -0.569 0.000 1.305 178 F HN 0.219 nan 8.300 nan 0.000 0.443 179 N N 1.653 120.233 118.700 -0.200 0.000 2.690 179 N HA 0.428 5.168 4.740 0.000 0.000 0.255 179 N C -2.120 173.379 175.510 -0.018 0.000 1.195 179 N CA -0.291 52.720 53.050 -0.065 0.000 0.790 179 N CB 0.414 38.864 38.487 -0.062 0.000 1.216 179 N HN 0.543 nan 8.380 nan 0.000 0.528 180 F N 1.811 121.908 119.950 0.245 0.000 2.421 180 F HA 0.299 4.826 4.527 0.000 0.000 0.358 180 F C 0.437 176.319 175.800 0.137 0.000 1.115 180 F CA -0.692 57.407 58.000 0.166 0.000 1.160 180 F CB 0.742 39.818 39.000 0.126 0.000 1.123 180 F HN 0.003 nan 8.300 nan 0.000 0.508 181 V N 6.016 126.108 119.914 0.296 0.000 2.432 181 V HA 0.376 4.496 4.120 0.000 0.000 0.275 181 V C 0.276 176.477 176.094 0.178 0.000 1.043 181 V CA -0.565 61.853 62.300 0.196 0.000 0.925 181 V CB 1.197 33.090 31.823 0.116 0.000 0.985 181 V HN 0.495 nan 8.190 nan 0.000 0.466 182 I N 3.918 124.585 120.570 0.162 0.000 2.545 182 I HA 0.387 4.557 4.170 0.000 0.000 0.292 182 I C -0.142 176.030 176.117 0.093 0.000 1.040 182 I CA -0.675 60.702 61.300 0.129 0.000 1.068 182 I CB 2.087 40.172 38.000 0.143 0.000 1.251 182 I HN 0.495 nan 8.210 nan 0.000 0.424 183 N N 5.777 124.515 118.700 0.062 0.000 2.430 183 N HA 0.139 4.880 4.740 0.000 0.000 0.265 183 N C 0.737 176.255 175.510 0.012 0.000 1.100 183 N CA -0.202 52.873 53.050 0.040 0.000 0.961 183 N CB 1.176 39.680 38.487 0.029 0.000 1.075 183 N HN 0.591 nan 8.380 nan 0.000 0.478 184 M N 2.684 122.291 119.600 0.011 0.000 2.267 184 M HA -0.117 4.363 4.480 0.000 0.000 0.263 184 M C 1.738 178.007 176.300 -0.052 0.000 1.063 184 M CA 0.873 56.159 55.300 -0.024 0.000 1.090 184 M CB -1.337 31.255 32.600 -0.014 0.000 1.392 184 M HN 0.688 nan 8.290 nan 0.000 0.422 185 A N 0.425 123.225 122.820 -0.033 0.000 2.070 185 A HA -0.142 4.179 4.320 0.000 0.000 0.220 185 A C 1.708 179.258 177.584 -0.057 0.000 1.159 185 A CA 1.412 53.425 52.037 -0.040 0.000 0.656 185 A CB -0.569 18.418 19.000 -0.020 0.000 0.800 185 A HN 0.534 nan 8.150 nan 0.000 0.453 186 N N -0.573 118.091 118.700 -0.061 0.000 2.353 186 N HA 0.064 4.804 4.740 0.000 0.000 0.185 186 N C 0.360 175.774 175.510 -0.160 0.000 1.098 186 N CA 0.274 53.278 53.050 -0.076 0.000 0.872 186 N CB 0.029 38.495 38.487 -0.035 0.000 0.970 186 N HN 0.307 nan 8.380 nan 0.000 0.467 187 M N 1.087 120.565 119.600 -0.203 0.000 3.663 187 M HA 0.086 4.566 4.480 0.000 0.000 0.198 187 M C -0.028 176.050 176.300 -0.371 0.000 1.365 187 M CA 0.249 55.337 55.300 -0.355 0.000 1.595 187 M CB -0.910 31.501 32.600 -0.314 0.000 1.120 187 M HN -0.141 nan 8.290 nan 0.000 0.522 188 K N 1.359 121.559 120.400 -0.334 0.000 3.006 188 K HA 0.343 4.663 4.320 0.000 0.000 0.265 188 K C -0.181 176.167 176.600 -0.420 0.000 1.279 188 K CA 0.057 56.186 56.287 -0.264 0.000 1.229 188 K CB -0.254 32.170 32.500 -0.125 0.000 1.555 188 K HN 0.423 nan 8.250 nan 0.000 0.300 189 I N 2.404 122.599 120.570 -0.625 0.000 2.342 189 I HA -0.004 4.166 4.170 0.000 0.000 0.291 189 I C 0.840 176.797 176.117 -0.266 0.000 1.010 189 I CA -0.731 60.061 61.300 -0.847 0.000 1.308 189 I CB 1.017 38.353 38.000 -1.107 0.000 1.400 189 I HN 0.390 nan 8.210 nan 0.000 0.488 190 Q N 8.449 128.285 119.800 0.060 0.000 2.443 190 Q HA 0.377 4.717 4.340 0.000 0.000 0.232 190 Q C -2.428 173.697 176.000 0.208 0.000 1.026 190 Q CA -1.625 54.274 55.803 0.160 0.000 0.924 190 Q CB 0.044 28.927 28.738 0.242 0.000 1.256 190 Q HN 0.316 nan 8.270 nan 0.000 0.519 191 P HA 0.247 nan 4.420 nan 0.000 0.268 191 P C -0.208 177.204 177.300 0.186 0.000 1.205 191 P CA 0.423 63.616 63.100 0.155 0.000 0.771 191 P CB 0.871 32.617 31.700 0.076 0.000 0.858 192 G N 1.610 110.528 108.800 0.197 0.000 2.343 192 G HA2 0.059 4.019 3.960 0.000 0.000 0.289 192 G HA3 0.059 4.019 3.960 0.000 0.000 0.289 192 G C -1.720 173.180 174.900 -0.000 0.000 1.295 192 G CA -0.739 44.367 45.100 0.009 0.000 0.869 192 G HN 0.493 nan 8.290 nan 0.000 0.522 193 N N 0.076 118.663 118.700 -0.188 0.000 2.419 193 N HA 0.602 5.342 4.740 0.000 0.000 0.277 193 N C -1.512 173.852 175.510 -0.243 0.000 1.006 193 N CA 0.028 53.032 53.050 -0.076 0.000 0.923 193 N CB 1.450 39.906 38.487 -0.050 0.000 1.140 193 N HN 0.390 nan 8.380 nan 0.000 0.488 194 Y N 0.150 120.510 120.300 0.099 0.000 2.446 194 Y HA 0.293 4.843 4.550 0.000 0.000 0.345 194 Y C 0.555 176.494 175.900 0.066 0.000 0.984 194 Y CA -0.927 57.242 58.100 0.116 0.000 1.058 194 Y CB 1.843 40.436 38.460 0.221 0.000 1.220 194 Y HN 0.252 nan 8.280 nan 0.000 0.455 195 K N 2.361 122.868 120.400 0.178 0.000 2.258 195 K HA 0.576 4.896 4.320 0.000 0.000 0.284 195 K C -1.503 175.092 176.600 -0.008 0.000 1.051 195 K CA -0.350 55.975 56.287 0.064 0.000 0.923 195 K CB 0.641 33.157 32.500 0.028 0.000 1.046 195 K HN 0.547 nan 8.250 nan 0.000 0.474 196 V N 6.666 126.515 119.914 -0.107 0.000 2.347 196 V HA 0.315 4.435 4.120 0.000 0.000 0.280 196 V C -0.267 175.647 176.094 -0.300 0.000 1.021 196 V CA -0.617 61.471 62.300 -0.353 0.000 0.847 196 V CB 1.178 32.774 31.823 -0.379 0.000 0.990 196 V HN 0.844 nan 8.190 nan 0.000 0.444 197 M N 6.558 125.935 119.600 -0.371 0.000 2.114 197 M HA 0.545 5.025 4.480 0.000 0.000 0.332 197 M C -0.949 175.222 176.300 -0.216 0.000 1.014 197 M CA -0.149 55.013 55.300 -0.229 0.000 0.956 197 M CB 1.432 33.932 32.600 -0.166 0.000 1.551 197 M HN 0.387 nan 8.290 nan 0.000 0.427 198 L N 2.568 123.650 121.223 -0.235 0.000 2.309 198 L HA 0.626 4.967 4.340 0.000 0.000 0.282 198 L C -1.149 175.518 176.870 -0.338 0.000 1.036 198 L CA -0.449 54.144 54.840 -0.411 0.000 0.806 198 L CB 1.231 42.905 42.059 -0.641 0.000 1.220 198 L HN 0.731 nan 8.230 nan 0.000 0.429 199 W N 2.831 123.768 121.300 -0.605 0.000 2.998 199 W HA 0.705 5.365 4.660 0.000 0.000 0.335 199 W C -0.774 175.407 176.519 -0.563 0.000 1.110 199 W CA -0.677 56.338 57.345 -0.551 0.000 1.230 199 W CB 2.079 31.248 29.460 -0.485 0.000 1.405 199 W HN 0.443 nan 8.180 nan 0.000 0.493 200 G N 2.538 110.515 108.800 -1.372 0.000 2.740 200 G HA2 0.727 4.687 3.960 0.000 0.000 0.296 200 G HA3 0.727 4.687 3.960 0.000 0.000 0.296 200 G C -2.039 172.153 174.900 -1.180 0.000 1.439 200 G CA -0.396 43.869 45.100 -1.392 0.000 1.066 200 G HN 1.162 nan 8.290 nan 0.000 0.527 201 A N 1.533 123.829 122.820 -0.873 0.000 2.599 201 A HA 0.879 5.199 4.320 0.000 0.000 0.281 201 A C 0.801 178.339 177.584 -0.077 0.000 1.137 201 A CA 0.618 52.472 52.037 -0.304 0.000 0.767 201 A CB 0.525 19.343 19.000 -0.304 0.000 1.266 201 A HN 2.682 nan 8.150 nan 0.000 0.420 202 G N 1.895 110.755 108.800 0.100 0.000 2.550 202 G HA2 -0.295 3.665 3.960 0.000 0.000 0.277 202 G HA3 -0.295 3.665 3.960 0.000 0.000 0.277 202 G C 0.508 175.451 174.900 0.071 0.000 1.190 202 G CA 0.642 45.768 45.100 0.044 0.000 0.971 202 G HN 0.634 nan 8.290 nan 0.000 0.559 203 D N 1.576 121.994 120.400 0.029 0.000 2.363 203 D HA 0.045 4.685 4.640 0.000 0.000 0.220 203 D C 0.987 177.298 176.300 0.017 0.000 0.994 203 D CA 0.721 54.743 54.000 0.036 0.000 0.890 203 D CB 0.072 40.888 40.800 0.026 0.000 0.906 203 D HN 0.368 nan 8.370 nan 0.000 0.530 204 K N 0.963 121.334 120.400 -0.049 0.000 2.276 204 K HA 0.380 4.700 4.320 0.000 0.000 0.285 204 K C -0.554 175.852 176.600 -0.322 0.000 1.062 204 K CA -0.194 56.036 56.287 -0.096 0.000 0.918 204 K CB 2.292 34.782 32.500 -0.017 0.000 1.055 204 K HN -0.247 nan 8.250 nan 0.000 0.477 205 V N 1.770 121.608 119.914 -0.125 0.000 2.760 205 V HA 0.749 4.869 4.120 0.000 0.000 0.309 205 V C -0.932 175.187 176.094 0.043 0.000 1.077 205 V CA -0.810 61.397 62.300 -0.156 0.000 0.910 205 V CB 1.799 33.635 31.823 0.021 0.000 1.008 205 V HN 0.931 nan 8.190 nan 0.000 0.424 206 A N 3.166 126.046 122.820 0.100 0.000 2.612 206 A HA 1.024 5.344 4.320 0.000 0.000 0.293 206 A C -0.917 176.820 177.584 0.254 0.000 1.075 206 A CA -0.084 52.099 52.037 0.244 0.000 0.680 206 A CB 1.910 21.148 19.000 0.396 0.000 1.279 206 A HN 1.730 nan 8.150 nan 0.000 0.411 207 A N 0.709 123.666 122.820 0.229 0.000 2.380 207 A HA 0.866 5.186 4.320 0.000 0.000 0.315 207 A C -0.538 176.948 177.584 -0.163 0.000 1.101 207 A CA -0.587 51.468 52.037 0.031 0.000 0.771 207 A CB 1.429 20.408 19.000 -0.036 0.000 1.287 207 A HN 0.941 nan 8.150 nan 0.000 0.436 208 K N 1.341 121.368 120.400 -0.622 0.000 2.507 208 K HA 0.610 4.930 4.320 0.000 0.000 0.252 208 K C -2.093 174.233 176.600 -0.457 0.000 0.943 208 K CA -0.338 55.531 56.287 -0.698 0.000 0.808 208 K CB 0.871 32.433 32.500 -1.564 0.000 1.142 208 K HN 0.482 nan 8.250 nan 0.000 0.426 209 F N 2.717 122.605 119.950 -0.104 0.000 2.388 209 F HA 0.316 4.843 4.527 0.000 0.000 0.358 209 F C 0.114 176.064 175.800 0.250 0.000 1.122 209 F CA -0.554 57.465 58.000 0.032 0.000 1.056 209 F CB 1.620 40.540 39.000 -0.133 0.000 1.155 209 F HN 0.498 nan 8.300 nan 0.000 0.461 210 E N 2.516 122.942 120.200 0.376 0.000 2.199 210 E HA 0.607 4.957 4.350 0.000 0.000 0.265 210 E C -0.952 175.777 176.600 0.215 0.000 0.882 210 E CA -0.441 56.133 56.400 0.289 0.000 0.759 210 E CB 1.437 31.190 29.700 0.088 0.000 1.148 210 E HN 0.642 nan 8.360 nan 0.000 0.412 211 S N 1.786 117.536 115.700 0.083 0.000 2.745 211 S HA 0.299 4.769 4.470 0.000 0.000 0.306 211 S C 0.709 175.264 174.600 -0.075 0.000 1.137 211 S CA -0.085 58.006 58.200 -0.182 0.000 0.900 211 S CB 1.252 64.112 63.200 -0.566 0.000 1.176 211 S HN 0.500 nan 8.310 nan 0.000 0.520 212 S N -0.142 115.500 115.700 -0.097 0.000 2.561 212 S HA 0.028 4.498 4.470 0.000 0.000 0.225 212 S C 1.114 175.689 174.600 -0.041 0.000 0.977 212 S CA 0.170 58.339 58.200 -0.051 0.000 0.926 212 S CB -0.345 62.825 63.200 -0.051 0.000 0.769 212 S HN 0.613 nan 8.310 nan 0.000 0.533 213 Q N 0.362 120.130 119.800 -0.054 0.000 2.387 213 Q HA 0.418 4.758 4.340 0.000 0.000 0.208 213 Q C 0.330 176.318 176.000 -0.020 0.000 0.935 213 Q CA 0.642 56.422 55.803 -0.038 0.000 0.891 213 Q CB 0.438 29.153 28.738 -0.039 0.000 1.007 213 Q HN 0.474 nan 8.270 nan 0.000 0.548 214 V N -0.103 119.823 119.914 0.019 0.000 3.114 214 V HA 0.543 4.663 4.120 0.000 0.000 0.308 214 V C -0.813 175.294 176.094 0.022 0.000 1.168 214 V CA -0.757 61.538 62.300 -0.009 0.000 1.015 214 V CB 2.358 34.158 31.823 -0.038 0.000 1.050 214 V HN -0.060 nan 8.190 nan 0.000 0.433 215 S N 1.024 116.645 115.700 -0.131 0.000 2.538 215 S HA 0.826 5.296 4.470 0.000 0.000 0.288 215 S C -1.730 172.739 174.600 -0.217 0.000 1.108 215 S CA -0.434 57.753 58.200 -0.021 0.000 0.971 215 S CB 1.288 64.524 63.200 0.061 0.000 1.041 215 S HN 0.538 nan 8.310 nan 0.000 0.483 216 Y N 0.590 120.958 120.300 0.113 0.000 2.446 216 Y HA 0.638 5.188 4.550 0.000 0.000 0.345 216 Y C -0.288 175.683 175.900 0.118 0.000 0.984 216 Y CA -1.030 57.111 58.100 0.069 0.000 1.058 216 Y CB 1.408 39.856 38.460 -0.019 0.000 1.220 216 Y HN 0.311 nan 8.280 nan 0.000 0.455 217 V N 5.026 125.141 119.914 0.336 0.000 2.444 217 V HA 0.483 4.603 4.120 0.000 0.000 0.294 217 V C -0.461 175.781 176.094 0.246 0.000 1.022 217 V CA -0.761 61.683 62.300 0.240 0.000 0.850 217 V CB 1.378 33.349 31.823 0.247 0.000 0.992 217 V HN 0.598 nan 8.190 nan 0.000 0.426 218 I N 3.781 124.486 120.570 0.225 0.000 2.465 218 I HA 0.683 4.853 4.170 0.000 0.000 0.291 218 I C 0.494 176.713 176.117 0.170 0.000 1.014 218 I CA -0.723 60.681 61.300 0.173 0.000 1.093 218 I CB 2.027 40.110 38.000 0.139 0.000 1.267 218 I HN 0.653 nan 8.210 nan 0.000 0.431 219 A N 7.692 130.592 122.820 0.133 0.000 2.425 219 A HA 0.650 4.970 4.320 0.000 0.000 0.249 219 A C -0.097 177.553 177.584 0.111 0.000 1.084 219 A CA -0.162 51.950 52.037 0.124 0.000 0.781 219 A CB 0.404 19.462 19.000 0.097 0.000 1.019 219 A HN 0.735 nan 8.150 nan 0.000 0.490 220 M N 1.658 121.324 119.600 0.110 0.000 2.478 220 M HA 0.309 4.789 4.480 0.000 0.000 0.327 220 M C -0.054 176.309 176.300 0.106 0.000 1.187 220 M CA -0.730 54.638 55.300 0.113 0.000 1.022 220 M CB 1.163 33.835 32.600 0.121 0.000 1.629 220 M HN 0.667 nan 8.290 nan 0.000 0.461 221 E N 0.730 120.993 120.200 0.106 0.000 2.409 221 E HA 0.129 4.479 4.350 0.000 0.000 0.257 221 E C 0.623 177.275 176.600 0.085 0.000 1.150 221 E CA -0.008 56.442 56.400 0.083 0.000 0.942 221 E CB 0.485 30.227 29.700 0.070 0.000 0.979 221 E HN 0.798 nan 8.360 nan 0.000 0.447 222 A N 1.560 124.416 122.820 0.061 0.000 2.119 222 A HA -0.141 4.179 4.320 0.000 0.000 0.217 222 A C 1.293 178.905 177.584 0.047 0.000 1.153 222 A CA 1.013 53.082 52.037 0.053 0.000 0.692 222 A CB -0.135 18.886 19.000 0.035 0.000 0.799 222 A HN 0.421 nan 8.150 nan 0.000 0.458 223 D N 0.593 121.017 120.400 0.040 0.000 2.310 223 D HA -0.011 4.629 4.640 0.000 0.000 0.212 223 D C 0.442 176.764 176.300 0.036 0.000 0.965 223 D CA 0.451 54.463 54.000 0.019 0.000 0.879 223 D CB -0.121 40.676 40.800 -0.004 0.000 0.921 223 D HN 0.286 nan 8.370 nan 0.000 0.510 224 S N 0.342 116.095 115.700 0.088 0.000 2.568 224 S HA 0.215 4.685 4.470 0.000 0.000 0.282 224 S C 0.689 175.349 174.600 0.101 0.000 1.338 224 S CA -0.003 58.280 58.200 0.138 0.000 1.045 224 S CB 1.016 64.382 63.200 0.276 0.000 0.873 224 S HN 0.304 nan 8.310 nan 0.000 0.516 225 T N 0.033 114.613 114.554 0.043 0.000 2.900 225 T HA 0.729 5.079 4.350 0.000 0.000 0.303 225 T C -1.040 173.640 174.700 -0.033 0.000 1.142 225 T CA -0.951 61.143 62.100 -0.009 0.000 1.007 225 T CB 1.878 70.705 68.868 -0.070 0.000 1.156 225 T HN 0.912 nan 8.240 nan 0.000 0.490 226 H N 0.476 119.481 119.070 -0.108 0.000 2.987 226 H HA 0.402 4.958 4.556 0.000 0.000 0.316 226 H C -1.736 173.532 175.328 -0.100 0.000 1.380 226 H CA -0.773 55.207 56.048 -0.114 0.000 1.160 226 H CB 1.081 30.880 29.762 0.061 0.000 1.865 226 H HN 0.678 nan 8.280 nan 0.000 0.521 227 D N 0.530 120.770 120.400 -0.267 0.000 2.538 227 D HA 0.204 4.844 4.640 0.000 0.000 0.231 227 D C -0.266 175.942 176.300 -0.154 0.000 1.229 227 D CA -0.351 53.487 54.000 -0.270 0.000 0.828 227 D CB -0.193 40.472 40.800 -0.225 0.000 1.035 227 D HN 0.135 nan 8.370 nan 0.000 0.495 228 F N 0.000 120.135 119.950 0.309 0.000 2.286 228 F HA 0.000 4.527 4.527 0.000 0.000 0.279 228 F CA 0.000 58.162 58.000 0.269 0.000 1.383 228 F CB 0.000 39.161 39.000 0.269 0.000 1.145 228 F HN 0.000 nan 8.300 nan 0.000 0.574