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 2prr_1_E DATA FIRST_RESID 5 DATA SEQUENCE AHPISRYPVP ELAALPDDIR QRILEVQDKA GFVPNVFLTL AHRPDEFRAF DATA SEQUENCE FAYHDALXLK DGGLTKGERE XIVVATSAAN QCLYCVVAHG AILRIYEKKP DATA SEQUENCE LVADQVAVNY LKADIPPRQR AXLDFALKVC KASHEVNEAD FEALREHGFT DATA SEQUENCE DEDAWDIAAI TAFFGLSNRX ANTIGXRPND EFFLXGRVPK 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.525 177.584 -0.099 0.000 1.274 5 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 5 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 6 H N 2.722 121.803 119.070 0.019 0.000 2.732 6 H HA 0.302 4.857 4.556 -0.002 0.000 0.351 6 H C -1.867 173.486 175.328 0.041 0.000 1.090 6 H CA -0.131 55.933 56.048 0.026 0.000 1.431 6 H CB 0.615 30.395 29.762 0.030 0.000 1.447 6 H HN 0.553 nan 8.280 nan 0.000 0.582 7 P HA 0.018 nan 4.420 nan 0.000 0.271 7 P C 1.034 178.412 177.300 0.130 0.000 1.216 7 P CA -0.046 63.120 63.100 0.110 0.000 0.776 7 P CB 0.719 32.464 31.700 0.075 0.000 0.881 8 I N -1.223 119.419 120.570 0.121 0.000 3.860 8 I HA 0.217 4.386 4.170 -0.002 0.000 0.319 8 I C 0.645 176.829 176.117 0.111 0.000 1.279 8 I CA 0.074 61.458 61.300 0.140 0.000 1.220 8 I CB 0.167 38.266 38.000 0.165 0.000 1.027 8 I HN 0.234 nan 8.210 nan 0.000 0.428 9 S N 0.354 116.105 115.700 0.085 0.000 2.625 9 S HA 0.408 4.877 4.470 -0.002 0.000 0.271 9 S C 0.266 174.897 174.600 0.053 0.000 1.161 9 S CA -0.830 57.413 58.200 0.072 0.000 0.820 9 S CB 1.943 65.184 63.200 0.069 0.000 1.137 9 S HN 0.282 nan 8.310 nan 0.000 0.470 10 R N 0.007 120.545 120.500 0.064 0.000 2.210 10 R HA 0.205 4.544 4.340 -0.002 0.000 0.203 10 R C -0.556 175.641 176.300 -0.171 0.000 1.010 10 R CA 0.476 56.555 56.100 -0.034 0.000 1.008 10 R CB 0.015 30.302 30.300 -0.021 0.000 0.923 10 R HN 0.643 nan 8.270 nan 0.000 0.469 11 Y N 0.611 120.828 120.300 -0.138 0.000 2.488 11 Y HA 0.369 4.918 4.550 -0.002 0.000 0.325 11 Y C -1.923 173.831 175.900 -0.243 0.000 1.204 11 Y CA -2.865 55.078 58.100 -0.261 0.000 1.229 11 Y CB 0.552 38.734 38.460 -0.464 0.000 1.274 11 Y HN -0.018 nan 8.280 nan 0.000 0.493 12 P HA 0.004 nan 4.420 nan 0.000 0.262 12 P C -1.159 176.190 177.300 0.082 0.000 1.182 12 P CA 0.234 63.349 63.100 0.025 0.000 0.761 12 P CB 0.281 32.095 31.700 0.189 0.000 0.795 13 V N 6.569 126.539 119.914 0.093 0.000 2.318 13 V HA 0.252 4.371 4.120 -0.002 0.000 0.271 13 V C -1.422 174.737 176.094 0.108 0.000 1.030 13 V CA -1.475 60.890 62.300 0.108 0.000 0.844 13 V CB 0.702 32.580 31.823 0.092 0.000 1.015 13 V HN 0.610 nan 8.190 nan 0.000 0.460 14 P HA 0.252 nan 4.420 nan 0.000 0.272 14 P C -0.397 176.932 177.300 0.049 0.000 1.240 14 P CA -0.442 62.704 63.100 0.077 0.000 0.791 14 P CB 1.012 32.744 31.700 0.054 0.000 0.978 15 E N 0.688 120.907 120.200 0.031 0.000 2.313 15 E HA 0.043 4.392 4.350 -0.002 0.000 0.276 15 E C 0.986 177.588 176.600 0.003 0.000 1.031 15 E CA -0.566 55.846 56.400 0.020 0.000 0.857 15 E CB 1.102 30.812 29.700 0.016 0.000 1.040 15 E HN 0.331 nan 8.360 nan 0.000 0.408 16 L N 3.927 125.151 121.223 0.002 0.000 2.081 16 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 16 L C 1.894 178.750 176.870 -0.023 0.000 1.080 16 L CA 2.440 57.271 54.840 -0.015 0.000 0.754 16 L CB -0.680 41.373 42.059 -0.009 0.000 0.893 16 L HN 0.669 nan 8.230 nan 0.000 0.433 17 A N -1.149 121.664 122.820 -0.013 0.000 2.015 17 A HA 0.055 4.374 4.320 -0.002 0.000 0.219 17 A C 2.306 179.880 177.584 -0.016 0.000 1.163 17 A CA 1.308 53.337 52.037 -0.013 0.000 0.646 17 A CB -0.798 18.198 19.000 -0.006 0.000 0.806 17 A HN 0.518 nan 8.150 nan 0.000 0.448 18 A N -0.817 121.993 122.820 -0.016 0.000 2.169 18 A HA 0.427 4.746 4.320 -0.002 0.000 0.212 18 A C 0.916 178.480 177.584 -0.034 0.000 1.153 18 A CA -0.070 51.956 52.037 -0.018 0.000 0.756 18 A CB -0.256 18.739 19.000 -0.009 0.000 0.813 18 A HN 0.424 nan 8.150 nan 0.000 0.471 19 L N 0.526 121.720 121.223 -0.049 0.000 2.418 19 L HA 0.298 4.637 4.340 -0.002 0.000 0.265 19 L C -2.195 174.634 176.870 -0.069 0.000 1.143 19 L CA -2.118 52.675 54.840 -0.079 0.000 0.809 19 L CB 0.324 42.311 42.059 -0.121 0.000 1.124 19 L HN 0.024 nan 8.230 nan 0.000 0.456 20 P HA 0.034 nan 4.420 nan 0.000 0.270 20 P C -0.155 177.116 177.300 -0.049 0.000 1.223 20 P CA -0.318 62.752 63.100 -0.049 0.000 0.785 20 P CB 0.565 32.240 31.700 -0.041 0.000 0.923 21 D N 0.958 121.342 120.400 -0.027 0.000 2.104 21 D HA -0.179 4.460 4.640 -0.002 0.000 0.194 21 D C 1.364 177.657 176.300 -0.012 0.000 0.994 21 D CA 1.598 55.586 54.000 -0.019 0.000 0.830 21 D CB -0.544 40.251 40.800 -0.009 0.000 0.959 21 D HN 0.556 nan 8.370 nan 0.000 0.452 22 D N 1.035 121.438 120.400 0.004 0.000 2.149 22 D HA -0.172 4.467 4.640 -0.002 0.000 0.198 22 D C 2.273 178.601 176.300 0.047 0.000 0.990 22 D CA 0.656 54.675 54.000 0.033 0.000 0.839 22 D CB -0.853 39.981 40.800 0.056 0.000 0.948 22 D HN 0.301 nan 8.370 nan 0.000 0.460 23 I N 0.072 120.639 120.570 -0.004 0.000 2.252 23 I HA -0.178 3.991 4.170 -0.002 0.000 0.245 23 I C 2.951 179.012 176.117 -0.094 0.000 1.102 23 I CA 0.750 61.992 61.300 -0.097 0.000 1.385 23 I CB -0.240 37.524 38.000 -0.395 0.000 1.064 23 I HN -0.045 nan 8.210 nan 0.000 0.414 24 R N 0.800 121.249 120.500 -0.085 0.000 2.081 24 R HA -0.207 4.132 4.340 -0.002 0.000 0.235 24 R C 2.305 178.578 176.300 -0.045 0.000 1.131 24 R CA 1.592 57.652 56.100 -0.067 0.000 0.960 24 R CB -0.085 30.183 30.300 -0.054 0.000 0.856 24 R HN 0.421 nan 8.270 nan 0.000 0.436 25 Q N -0.374 119.412 119.800 -0.024 0.000 2.084 25 Q HA -0.192 4.147 4.340 -0.002 0.000 0.202 25 Q C 2.231 178.213 176.000 -0.029 0.000 0.978 25 Q CA 1.511 57.302 55.803 -0.020 0.000 0.844 25 Q CB -0.168 28.569 28.738 -0.001 0.000 0.898 25 Q HN 0.294 nan 8.270 nan 0.000 0.426 26 R N 0.801 121.305 120.500 0.007 0.000 2.081 26 R HA -0.132 4.206 4.340 -0.002 0.000 0.235 26 R C 2.123 178.326 176.300 -0.162 0.000 1.131 26 R CA 1.125 57.218 56.100 -0.012 0.000 0.960 26 R CB -0.174 30.200 30.300 0.124 0.000 0.856 26 R HN 0.248 nan 8.270 nan 0.000 0.436 27 I N 0.870 121.366 120.570 -0.124 0.000 2.179 27 I HA -0.318 3.851 4.170 -0.002 0.000 0.242 27 I C 2.195 178.155 176.117 -0.260 0.000 1.088 27 I CA 1.256 62.400 61.300 -0.260 0.000 1.357 27 I CB -0.212 37.730 38.000 -0.098 0.000 1.051 27 I HN 0.216 nan 8.210 nan 0.000 0.409 28 L N 0.195 121.328 121.223 -0.150 0.000 2.056 28 L HA -0.180 4.159 4.340 -0.002 0.000 0.207 28 L C 2.448 179.240 176.870 -0.130 0.000 1.078 28 L CA 1.355 56.124 54.840 -0.118 0.000 0.749 28 L CB -0.590 41.427 42.059 -0.070 0.000 0.901 28 L HN 0.207 nan 8.230 nan 0.000 0.433 29 E N -0.357 119.768 120.200 -0.126 0.000 2.160 29 E HA -0.194 4.155 4.350 -0.002 0.000 0.195 29 E C 2.201 178.707 176.600 -0.155 0.000 0.991 29 E CA 1.250 57.585 56.400 -0.109 0.000 0.810 29 E CB -0.022 29.634 29.700 -0.074 0.000 0.742 29 E HN 0.296 nan 8.360 nan 0.000 0.466 30 V N 0.821 120.570 119.914 -0.276 0.000 2.591 30 V HA -0.207 3.912 4.120 -0.002 0.000 0.249 30 V C 2.350 178.257 176.094 -0.311 0.000 1.053 30 V CA 1.476 63.563 62.300 -0.355 0.000 1.068 30 V CB -0.326 31.044 31.823 -0.756 0.000 0.689 30 V HN 0.250 nan 8.190 nan 0.000 0.462 31 Q N 0.052 119.690 119.800 -0.271 0.000 2.079 31 Q HA -0.272 4.067 4.340 -0.002 0.000 0.200 31 Q C 2.090 178.020 176.000 -0.116 0.000 0.974 31 Q CA 2.113 57.803 55.803 -0.188 0.000 0.840 31 Q CB -0.144 28.521 28.738 -0.122 0.000 0.898 31 Q HN 0.664 nan 8.270 nan 0.000 0.430 32 D N 0.447 120.789 120.400 -0.097 0.000 2.092 32 D HA -0.220 4.419 4.640 -0.002 0.000 0.193 32 D C 1.812 178.084 176.300 -0.045 0.000 0.994 32 D CA 1.679 55.646 54.000 -0.055 0.000 0.828 32 D CB -0.080 40.691 40.800 -0.048 0.000 0.963 32 D HN 0.197 nan 8.370 nan 0.000 0.450 33 K N -0.346 120.018 120.400 -0.060 0.000 2.001 33 K HA -0.070 4.249 4.320 -0.002 0.000 0.208 33 K C 2.025 178.604 176.600 -0.035 0.000 1.048 33 K CA 1.420 57.687 56.287 -0.033 0.000 0.932 33 K CB -0.257 32.228 32.500 -0.024 0.000 0.715 33 K HN 0.112 nan 8.250 nan 0.000 0.437 34 A N -0.302 122.453 122.820 -0.109 0.000 1.930 34 A HA 0.148 4.466 4.320 -0.002 0.000 0.215 34 A C 1.704 179.281 177.584 -0.012 0.000 1.176 34 A CA 1.489 53.438 52.037 -0.148 0.000 0.632 34 A CB -0.417 18.282 19.000 -0.501 0.000 0.819 34 A HN 0.665 nan 8.150 nan 0.000 0.445 35 G N -2.569 106.224 108.800 -0.011 0.000 2.195 35 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.224 35 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.224 35 G C 0.137 175.171 174.900 0.224 0.000 0.990 35 G CA 0.413 45.583 45.100 0.116 0.000 0.639 35 G HN 1.655 nan 8.290 nan 0.000 0.514 36 F N -1.939 117.976 119.950 -0.058 0.000 2.773 36 F HA 0.724 5.250 4.527 -0.002 0.000 0.314 36 F C -0.803 174.969 175.800 -0.046 0.000 1.160 36 F CA -1.853 56.116 58.000 -0.053 0.000 0.920 36 F CB 1.018 39.974 39.000 -0.073 0.000 1.323 36 F HN 0.237 nan 8.300 nan 0.000 0.457 37 V N 2.301 122.233 119.914 0.030 0.000 2.333 37 V HA 0.419 4.538 4.120 -0.002 0.000 0.274 37 V C -2.294 173.928 176.094 0.212 0.000 1.028 37 V CA -1.861 60.406 62.300 -0.055 0.000 0.851 37 V CB 0.751 32.587 31.823 0.023 0.000 1.000 37 V HN 0.552 nan 8.190 nan 0.000 0.456 38 P HA 0.066 nan 4.420 nan 0.000 0.265 38 P C 0.651 178.353 177.300 0.670 0.000 1.187 38 P CA 0.169 63.654 63.100 0.643 0.000 0.766 38 P CB 0.485 32.667 31.700 0.803 0.000 0.820 39 N N 1.641 120.741 118.700 0.667 0.000 2.443 39 N HA -0.109 4.629 4.740 -0.002 0.000 0.184 39 N C 1.653 177.313 175.510 0.250 0.000 1.037 39 N CA 0.516 53.838 53.050 0.453 0.000 0.896 39 N CB -0.595 38.157 38.487 0.443 0.000 0.959 39 N HN 0.195 nan 8.380 nan 0.000 0.442 40 V N 0.123 120.133 119.914 0.160 0.000 2.407 40 V HA -0.206 3.913 4.120 -0.002 0.000 0.248 40 V C 1.606 177.722 176.094 0.037 0.000 1.055 40 V CA 1.445 63.649 62.300 -0.161 0.000 1.049 40 V CB -0.449 31.207 31.823 -0.278 0.000 0.662 40 V HN 0.037 nan 8.190 nan 0.000 0.455 41 F N 0.017 120.141 119.950 0.289 0.000 2.075 41 F HA -0.096 4.430 4.527 -0.001 0.000 0.297 41 F C 2.138 178.174 175.800 0.394 0.000 1.113 41 F CA 2.058 60.269 58.000 0.352 0.000 1.218 41 F CB -0.625 38.464 39.000 0.148 0.000 0.984 41 F HN 0.106 nan 8.300 nan 0.000 0.472 42 L N -0.422 121.053 121.223 0.421 0.000 2.056 42 L HA -0.182 4.157 4.340 -0.002 0.000 0.207 42 L C 2.654 179.645 176.870 0.202 0.000 1.078 42 L CA 1.822 56.820 54.840 0.264 0.000 0.749 42 L CB -1.404 40.785 42.059 0.218 0.000 0.901 42 L HN 0.302 nan 8.230 nan 0.000 0.433 43 T N -2.000 112.649 114.554 0.159 0.000 2.857 43 T HA -0.086 4.263 4.350 -0.002 0.000 0.266 43 T C 1.786 176.527 174.700 0.068 0.000 1.048 43 T CA 0.802 62.949 62.100 0.079 0.000 1.139 43 T CB -0.446 68.423 68.868 0.001 0.000 0.874 43 T HN 0.227 nan 8.240 nan 0.000 0.455 44 L N 0.748 122.020 121.223 0.081 0.000 2.478 44 L HA 0.298 4.637 4.340 -0.002 0.000 0.223 44 L C 3.051 180.098 176.870 0.295 0.000 1.140 44 L CA 0.540 55.430 54.840 0.083 0.000 0.842 44 L CB -0.574 41.415 42.059 -0.117 0.000 0.953 44 L HN 0.375 nan 8.230 nan 0.000 0.452 45 A N -0.672 122.340 122.820 0.319 0.000 2.168 45 A HA -0.231 4.088 4.320 -0.002 0.000 0.215 45 A C 1.974 179.602 177.584 0.073 0.000 1.152 45 A CA 1.003 53.090 52.037 0.083 0.000 0.716 45 A CB -0.732 18.221 19.000 -0.078 0.000 0.794 45 A HN 0.480 nan 8.150 nan 0.000 0.465 46 H N 0.101 119.191 119.070 0.033 0.000 2.422 46 H HA -0.010 4.545 4.556 -0.002 0.000 0.298 46 H C 0.268 175.600 175.328 0.008 0.000 1.098 46 H CA 1.380 57.440 56.048 0.020 0.000 1.315 46 H CB 0.139 29.915 29.762 0.023 0.000 1.382 46 H HN 0.157 nan 8.280 nan 0.000 0.523 47 R N 0.500 121.019 120.500 0.031 0.000 2.402 47 R HA 0.167 4.506 4.340 -0.002 0.000 0.290 47 R C -2.180 174.159 176.300 0.064 0.000 1.321 47 R CA -2.175 53.918 56.100 -0.012 0.000 1.283 47 R CB 0.659 30.968 30.300 0.014 0.000 1.111 47 R HN 0.311 nan 8.270 nan 0.000 0.578 48 P HA -0.178 nan 4.420 nan 0.000 0.216 48 P C 0.510 177.902 177.300 0.153 0.000 1.154 48 P CA 1.319 64.450 63.100 0.052 0.000 0.865 48 P CB 0.449 32.139 31.700 -0.016 0.000 0.789 49 D N -0.846 119.617 120.400 0.105 0.000 2.178 49 D HA -0.126 4.512 4.640 -0.002 0.000 0.202 49 D C 1.873 178.264 176.300 0.152 0.000 0.974 49 D CA 0.987 55.056 54.000 0.117 0.000 0.841 49 D CB -0.398 40.443 40.800 0.068 0.000 0.953 49 D HN 0.387 nan 8.370 nan 0.000 0.478 50 E N -0.441 119.848 120.200 0.147 0.000 2.076 50 E HA -0.081 4.268 4.350 -0.002 0.000 0.190 50 E C 1.812 178.544 176.600 0.219 0.000 0.979 50 E CA 0.083 56.569 56.400 0.143 0.000 0.807 50 E CB -0.170 29.573 29.700 0.070 0.000 0.761 50 E HN 0.211 nan 8.360 nan 0.000 0.454 51 F N 2.647 122.667 119.950 0.116 0.000 2.065 51 F HA -0.221 4.305 4.527 -0.002 0.000 0.298 51 F C 2.208 178.233 175.800 0.375 0.000 1.112 51 F CA 1.693 59.837 58.000 0.241 0.000 1.212 51 F CB -0.009 39.135 39.000 0.239 0.000 0.975 51 F HN -0.206 nan 8.300 nan 0.000 0.476 52 R N 0.147 120.989 120.500 0.570 0.000 2.083 52 R HA -0.154 4.185 4.340 -0.002 0.000 0.237 52 R C 2.447 178.909 176.300 0.271 0.000 1.137 52 R CA 1.429 57.781 56.100 0.420 0.000 0.951 52 R CB -0.970 29.512 30.300 0.304 0.000 0.851 52 R HN 0.432 nan 8.270 nan 0.000 0.434 53 A N 0.570 123.523 122.820 0.222 0.000 1.929 53 A HA -0.145 4.174 4.320 -0.002 0.000 0.216 53 A C 1.940 179.644 177.584 0.200 0.000 1.176 53 A CA 0.785 52.927 52.037 0.175 0.000 0.628 53 A CB -0.544 18.550 19.000 0.157 0.000 0.816 53 A HN 0.334 nan 8.150 nan 0.000 0.444 54 F N -0.128 119.826 119.950 0.006 0.000 2.069 54 F HA -0.184 4.342 4.527 -0.002 0.000 0.298 54 F C 1.857 177.555 175.800 -0.169 0.000 1.113 54 F CA 2.034 59.971 58.000 -0.106 0.000 1.214 54 F CB -0.340 38.367 39.000 -0.489 0.000 0.978 54 F HN 0.220 nan 8.300 nan 0.000 0.474 55 F N 0.279 120.338 119.950 0.183 0.000 2.259 55 F HA 0.020 4.546 4.527 -0.001 0.000 0.298 55 F C 2.487 178.307 175.800 0.032 0.000 1.088 55 F CA 0.842 58.865 58.000 0.039 0.000 1.358 55 F CB -1.456 37.491 39.000 -0.088 0.000 1.040 55 F HN 0.069 nan 8.300 nan 0.000 0.505 56 A N -0.455 122.469 122.820 0.173 0.000 1.883 56 A HA -0.258 4.061 4.320 -0.002 0.000 0.217 56 A C 2.088 179.659 177.584 -0.023 0.000 1.186 56 A CA 1.628 53.713 52.037 0.080 0.000 0.624 56 A CB -1.380 17.655 19.000 0.058 0.000 0.822 56 A HN 0.380 nan 8.150 nan 0.000 0.444 57 Y N -0.121 120.056 120.300 -0.206 0.000 2.145 57 Y HA -0.222 4.327 4.550 -0.002 0.000 0.286 57 Y C 2.521 177.952 175.900 -0.782 0.000 1.145 57 Y CA 1.704 59.535 58.100 -0.448 0.000 1.148 57 Y CB -0.773 37.394 38.460 -0.489 0.000 0.981 57 Y HN 0.616 nan 8.280 nan 0.000 0.507 58 H N 0.050 118.612 119.070 -0.847 0.000 2.319 58 H HA -0.177 4.378 4.556 -0.002 0.000 0.297 58 H C 1.481 176.660 175.328 -0.248 0.000 1.097 58 H CA 2.208 57.778 56.048 -0.798 0.000 1.285 58 H CB -0.189 29.322 29.762 -0.418 0.000 1.368 58 H HN 0.309 nan 8.280 nan 0.000 0.495 59 D N 0.478 120.933 120.400 0.090 0.000 2.097 59 D HA -0.088 4.551 4.640 -0.002 0.000 0.195 59 D C 2.338 178.637 176.300 -0.002 0.000 0.989 59 D CA 1.412 55.484 54.000 0.120 0.000 0.827 59 D CB -0.695 40.191 40.800 0.142 0.000 0.966 59 D HN 0.489 nan 8.370 nan 0.000 0.456 60 A N 0.449 123.242 122.820 -0.046 0.000 1.986 60 A HA -0.112 4.207 4.320 -0.002 0.000 0.220 60 A C 1.410 178.972 177.584 -0.035 0.000 1.171 60 A CA 0.960 52.967 52.037 -0.050 0.000 0.640 60 A CB -0.457 18.486 19.000 -0.095 0.000 0.811 60 A HN 0.190 nan 8.150 nan 0.000 0.451 64 K N 1.687 122.098 120.400 0.019 0.000 2.494 64 K HA 0.064 4.383 4.320 -0.002 0.000 0.273 64 K C -0.492 176.115 176.600 0.011 0.000 0.970 64 K CA 0.105 56.397 56.287 0.008 0.000 0.963 64 K CB 0.413 32.914 32.500 0.001 0.000 0.913 64 K HN -0.108 nan 8.250 nan 0.000 0.502 65 D N 0.074 120.475 120.400 0.003 0.000 2.350 65 D HA 0.469 5.108 4.640 -0.002 0.000 0.249 65 D C 0.251 176.555 176.300 0.007 0.000 1.119 65 D CA 0.374 54.376 54.000 0.003 0.000 0.886 65 D CB 1.377 42.175 40.800 -0.003 0.000 1.195 65 D HN 0.698 nan 8.370 nan 0.000 0.437 66 G N -0.680 108.132 108.800 0.019 0.000 2.559 66 G HA2 0.492 4.451 3.960 -0.002 0.000 0.291 66 G HA3 0.492 4.451 3.960 -0.002 0.000 0.291 66 G C 0.804 175.734 174.900 0.051 0.000 1.424 66 G CA -0.157 44.963 45.100 0.033 0.000 0.786 66 G HN 0.613 nan 8.290 nan 0.000 0.485 67 G N -0.961 107.885 108.800 0.077 0.000 2.484 67 G HA2 0.173 4.132 3.960 -0.002 0.000 0.218 67 G HA3 0.173 4.132 3.960 -0.002 0.000 0.218 67 G C 0.762 175.748 174.900 0.143 0.000 1.130 67 G CA 0.299 45.463 45.100 0.107 0.000 0.784 67 G HN 0.488 nan 8.290 nan 0.000 0.543 68 L N 2.259 123.565 121.223 0.139 0.000 2.305 68 L HA 0.302 4.641 4.340 -0.002 0.000 0.281 68 L C 0.981 177.909 176.870 0.096 0.000 1.085 68 L CA -0.730 54.196 54.840 0.143 0.000 0.813 68 L CB 1.140 43.264 42.059 0.109 0.000 1.157 68 L HN 0.074 nan 8.230 nan 0.000 0.436 69 T N -0.899 113.710 114.554 0.093 0.000 2.868 69 T HA 0.064 4.413 4.350 -0.002 0.000 0.292 69 T C 1.264 176.011 174.700 0.078 0.000 1.028 69 T CA -0.790 61.349 62.100 0.064 0.000 1.059 69 T CB 1.464 70.367 68.868 0.057 0.000 0.991 69 T HN 0.446 nan 8.240 nan 0.000 0.531 70 K N 1.734 122.169 120.400 0.059 0.000 2.103 70 K HA -0.017 4.302 4.320 -0.002 0.000 0.207 70 K C 2.601 179.379 176.600 0.297 0.000 1.048 70 K CA 1.470 57.835 56.287 0.130 0.000 0.930 70 K CB -1.380 31.087 32.500 -0.055 0.000 0.716 70 K HN 0.854 nan 8.250 nan 0.000 0.444 71 G N 0.977 109.925 108.800 0.247 0.000 2.421 71 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.216 71 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.216 71 G C 1.465 176.442 174.900 0.128 0.000 1.171 71 G CA 0.909 46.156 45.100 0.246 0.000 0.775 71 G HN 0.560 nan 8.290 nan 0.000 0.543 72 E N 0.136 120.396 120.200 0.100 0.000 2.118 72 E HA -0.105 4.244 4.350 -0.002 0.000 0.195 72 E C 2.760 179.377 176.600 0.028 0.000 0.992 72 E CA 0.590 57.029 56.400 0.066 0.000 0.804 72 E CB -0.071 29.686 29.700 0.094 0.000 0.741 72 E HN 0.364 nan 8.360 nan 0.000 0.458 73 R N 0.840 121.366 120.500 0.043 0.000 2.081 73 R HA -0.060 4.279 4.340 -0.002 0.000 0.235 73 R C 1.052 177.303 176.300 -0.081 0.000 1.131 73 R CA 0.726 56.824 56.100 -0.003 0.000 0.960 73 R CB -0.149 30.175 30.300 0.039 0.000 0.856 73 R HN 0.150 nan 8.270 nan 0.000 0.436 77 V N 1.639 121.338 119.914 -0.359 0.000 2.380 77 V HA -0.250 3.869 4.120 -0.002 0.000 0.251 77 V C 2.270 178.157 176.094 -0.345 0.000 1.063 77 V CA 2.244 64.217 62.300 -0.544 0.000 1.055 77 V CB -0.594 30.553 31.823 -1.127 0.000 0.657 77 V HN 0.300 nan 8.190 nan 0.000 0.455 78 V N 0.155 119.926 119.914 -0.240 0.000 2.379 78 V HA -0.166 3.953 4.120 -0.002 0.000 0.245 78 V C 2.670 178.684 176.094 -0.134 0.000 1.044 78 V CA 1.860 64.068 62.300 -0.153 0.000 1.036 78 V CB -1.021 30.738 31.823 -0.106 0.000 0.664 78 V HN 0.548 nan 8.190 nan 0.000 0.453 79 A N 0.835 123.559 122.820 -0.160 0.000 1.930 79 A HA -0.187 4.132 4.320 -0.002 0.000 0.217 79 A C 2.469 179.953 177.584 -0.165 0.000 1.175 79 A CA 2.333 54.264 52.037 -0.177 0.000 0.627 79 A CB -0.822 17.986 19.000 -0.320 0.000 0.815 79 A HN 0.632 nan 8.150 nan 0.000 0.443 80 T N -3.436 111.015 114.554 -0.172 0.000 2.896 80 T HA -0.040 4.309 4.350 -0.002 0.000 0.263 80 T C 1.982 176.625 174.700 -0.096 0.000 1.050 80 T CA 1.519 63.535 62.100 -0.139 0.000 1.140 80 T CB -0.452 68.331 68.868 -0.141 0.000 0.877 80 T HN 0.239 nan 8.240 nan 0.000 0.457 81 S N 1.867 117.508 115.700 -0.097 0.000 2.399 81 S HA 0.134 4.603 4.470 -0.002 0.000 0.231 81 S C 2.578 177.150 174.600 -0.046 0.000 1.022 81 S CA 0.881 59.044 58.200 -0.062 0.000 0.983 81 S CB -0.753 62.406 63.200 -0.069 0.000 0.803 81 S HN 0.758 nan 8.310 nan 0.000 0.480 82 A N 1.833 124.621 122.820 -0.053 0.000 1.877 82 A HA 0.076 4.394 4.320 -0.002 0.000 0.216 82 A C 2.398 179.969 177.584 -0.022 0.000 1.186 82 A CA 1.720 53.739 52.037 -0.031 0.000 0.620 82 A CB -1.214 17.772 19.000 -0.023 0.000 0.822 82 A HN 0.518 nan 8.150 nan 0.000 0.443 83 A N 0.114 122.915 122.820 -0.032 0.000 1.940 83 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 83 A C 1.660 179.227 177.584 -0.027 0.000 1.176 83 A CA 1.816 53.836 52.037 -0.027 0.000 0.631 83 A CB -0.555 18.418 19.000 -0.044 0.000 0.814 83 A HN 0.529 nan 8.150 nan 0.000 0.446 84 N N -0.046 118.634 118.700 -0.033 0.000 2.383 84 N HA 0.043 4.782 4.740 -0.002 0.000 0.192 84 N C -0.368 175.132 175.510 -0.016 0.000 1.141 84 N CA 0.335 53.368 53.050 -0.028 0.000 0.851 84 N CB -0.066 38.400 38.487 -0.036 0.000 0.976 84 N HN 0.559 nan 8.380 nan 0.000 0.465 85 Q N -0.570 119.223 119.800 -0.012 0.000 2.416 85 Q HA -0.214 4.125 4.340 -0.002 0.000 0.319 85 Q C -0.550 175.454 176.000 0.005 0.000 1.318 85 Q CA 0.348 56.149 55.803 -0.003 0.000 0.915 85 Q CB -2.101 26.638 28.738 0.000 0.000 1.184 85 Q HN 0.371 nan 8.270 nan 0.000 0.444 86 C N 0.818 120.121 119.300 0.006 0.000 2.192 86 C HA 0.268 4.727 4.460 -0.002 0.000 0.337 86 C C 1.801 176.817 174.990 0.043 0.000 1.103 86 C CA -0.695 58.339 59.018 0.027 0.000 1.581 86 C CB -0.704 27.053 27.740 0.028 0.000 2.070 86 C HN 0.687 nan 8.230 nan 0.000 0.485 87 L N 5.849 127.106 121.223 0.056 0.000 1.990 87 L HA -0.112 4.227 4.340 -0.002 0.000 0.213 87 L C 1.869 178.767 176.870 0.045 0.000 1.072 87 L CA 2.350 57.221 54.840 0.050 0.000 0.755 87 L CB -1.306 40.803 42.059 0.082 0.000 0.889 87 L HN 0.837 nan 8.230 nan 0.000 0.432 88 Y N -0.500 119.798 120.300 -0.004 0.000 2.049 88 Y HA -0.325 4.224 4.550 -0.002 0.000 0.277 88 Y C 2.714 178.592 175.900 -0.037 0.000 1.143 88 Y CA 2.295 60.390 58.100 -0.007 0.000 1.115 88 Y CB -0.822 37.658 38.460 0.033 0.000 0.975 88 Y HN 0.312 nan 8.280 nan 0.000 0.487 89 C N -0.909 118.569 119.300 0.297 0.000 2.425 89 C HA -0.142 4.317 4.460 -0.002 0.000 0.277 89 C C 2.790 177.802 174.990 0.037 0.000 1.280 89 C CA 0.877 60.045 59.018 0.249 0.000 1.744 89 C CB -1.297 26.565 27.740 0.203 0.000 1.989 89 C HN 0.520 nan 8.230 nan 0.000 0.491 90 V N 0.734 120.625 119.914 -0.038 0.000 2.261 90 V HA -0.207 3.911 4.120 -0.002 0.000 0.246 90 V C 2.455 178.439 176.094 -0.182 0.000 1.047 90 V CA 2.239 64.483 62.300 -0.094 0.000 1.015 90 V CB -0.753 31.023 31.823 -0.079 0.000 0.642 90 V HN 0.449 nan 8.190 nan 0.000 0.446 91 V N 0.108 119.847 119.914 -0.291 0.000 2.307 91 V HA -0.224 3.895 4.120 -0.002 0.000 0.245 91 V C 2.679 178.421 176.094 -0.587 0.000 1.045 91 V CA 1.969 63.986 62.300 -0.472 0.000 1.024 91 V CB -1.106 30.288 31.823 -0.716 0.000 0.651 91 V HN 0.555 nan 8.190 nan 0.000 0.449 92 A N -0.875 121.440 122.820 -0.842 0.000 1.877 92 A HA -0.235 4.084 4.320 -0.002 0.000 0.216 92 A C 2.077 179.099 177.584 -0.938 0.000 1.186 92 A CA 1.814 52.963 52.037 -1.480 0.000 0.620 92 A CB -0.736 17.278 19.000 -1.642 0.000 0.822 92 A HN 0.698 nan 8.150 nan 0.000 0.443 93 H N -1.124 117.675 119.070 -0.452 0.000 2.535 93 H HA 0.024 4.579 4.556 -0.002 0.000 0.273 93 H C 2.329 177.506 175.328 -0.251 0.000 0.983 93 H CA 0.702 56.568 56.048 -0.303 0.000 1.238 93 H CB -0.156 29.440 29.762 -0.277 0.000 1.412 93 H HN 0.543 nan 8.280 nan 0.000 0.562 94 G N 0.986 109.692 108.800 -0.156 0.000 2.422 94 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.218 94 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.218 94 G C 1.959 176.794 174.900 -0.108 0.000 1.146 94 G CA 0.879 45.907 45.100 -0.121 0.000 0.769 94 G HN 0.433 nan 8.290 nan 0.000 0.547 95 A N 0.893 123.637 122.820 -0.126 0.000 1.877 95 A HA 0.052 4.371 4.320 -0.002 0.000 0.216 95 A C 2.402 179.950 177.584 -0.060 0.000 1.186 95 A CA 1.327 53.344 52.037 -0.033 0.000 0.620 95 A CB -0.386 18.678 19.000 0.106 0.000 0.822 95 A HN 0.361 nan 8.150 nan 0.000 0.443 96 I N -0.699 119.773 120.570 -0.163 0.000 2.226 96 I HA -0.238 3.931 4.170 -0.002 0.000 0.245 96 I C 2.436 178.338 176.117 -0.359 0.000 1.100 96 I CA 1.210 62.305 61.300 -0.341 0.000 1.374 96 I CB -0.388 37.321 38.000 -0.485 0.000 1.057 96 I HN 0.392 nan 8.210 nan 0.000 0.413 97 L N 1.251 122.347 121.223 -0.211 0.000 1.990 97 L HA -0.245 4.094 4.340 -0.002 0.000 0.213 97 L C 2.638 179.500 176.870 -0.012 0.000 1.072 97 L CA 1.912 56.698 54.840 -0.091 0.000 0.755 97 L CB -0.716 41.308 42.059 -0.058 0.000 0.889 97 L HN 0.107 nan 8.230 nan 0.000 0.432 98 R N -0.782 119.709 120.500 -0.015 0.000 2.105 98 R HA -0.168 4.171 4.340 -0.002 0.000 0.239 98 R C 2.151 178.487 176.300 0.060 0.000 1.135 98 R CA 1.585 57.699 56.100 0.024 0.000 0.967 98 R CB -0.401 29.910 30.300 0.019 0.000 0.861 98 R HN 0.392 nan 8.270 nan 0.000 0.442 99 I N -0.339 120.271 120.570 0.066 0.000 2.162 99 I HA -0.246 3.923 4.170 -0.002 0.000 0.238 99 I C 2.166 178.433 176.117 0.250 0.000 1.076 99 I CA 1.424 62.807 61.300 0.139 0.000 1.353 99 I CB -1.138 36.948 38.000 0.144 0.000 1.063 99 I HN 0.094 nan 8.210 nan 0.000 0.408 100 Y N 1.488 121.814 120.300 0.044 0.000 2.207 100 Y HA -0.180 4.369 4.550 -0.002 0.000 0.287 100 Y C 2.451 178.371 175.900 0.033 0.000 1.156 100 Y CA 0.987 59.111 58.100 0.040 0.000 1.182 100 Y CB -0.616 37.869 38.460 0.042 0.000 0.979 100 Y HN 0.373 nan 8.280 nan 0.000 0.521 101 E N -0.459 119.855 120.200 0.189 0.000 2.481 101 E HA 0.030 4.379 4.350 -0.002 0.000 0.198 101 E C 0.053 176.702 176.600 0.080 0.000 1.027 101 E CA -0.023 56.444 56.400 0.110 0.000 0.900 101 E CB 0.217 29.971 29.700 0.089 0.000 0.993 101 E HN 0.259 nan 8.360 nan 0.000 0.482 102 K N 1.235 121.687 120.400 0.086 0.000 3.077 102 K HA -0.200 4.119 4.320 -0.002 0.000 0.264 102 K C -0.714 175.916 176.600 0.050 0.000 1.008 102 K CA 0.724 57.049 56.287 0.065 0.000 0.740 102 K CB -1.287 31.246 32.500 0.055 0.000 1.273 102 K HN 0.046 nan 8.250 nan 0.000 0.477 103 K N -0.323 120.106 120.400 0.049 0.000 2.575 103 K HA 0.174 4.493 4.320 -0.002 0.000 0.236 103 K C -2.140 174.480 176.600 0.033 0.000 0.976 103 K CA -2.011 54.299 56.287 0.038 0.000 0.985 103 K CB 1.645 34.167 32.500 0.037 0.000 1.198 103 K HN -0.234 nan 8.250 nan 0.000 0.464 104 P HA -0.119 nan 4.420 nan 0.000 0.220 104 P C 0.728 178.042 177.300 0.023 0.000 1.148 104 P CA 0.946 64.063 63.100 0.028 0.000 0.803 104 P CB 0.299 32.016 31.700 0.028 0.000 0.782 105 L N -1.783 119.453 121.223 0.022 0.000 2.307 105 L HA 0.025 4.364 4.340 -0.002 0.000 0.211 105 L C 2.364 179.244 176.870 0.018 0.000 1.099 105 L CA 0.457 55.309 54.840 0.019 0.000 0.816 105 L CB -0.945 41.125 42.059 0.019 0.000 0.952 105 L HN -0.143 nan 8.230 nan 0.000 0.455 106 V N 0.830 120.756 119.914 0.020 0.000 2.407 106 V HA -0.269 3.850 4.120 -0.002 0.000 0.248 106 V C 2.691 178.794 176.094 0.015 0.000 1.055 106 V CA 1.950 64.263 62.300 0.021 0.000 1.049 106 V CB -0.052 31.787 31.823 0.026 0.000 0.662 106 V HN 0.441 nan 8.190 nan 0.000 0.455 107 A N -0.616 122.207 122.820 0.004 0.000 1.930 107 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 107 A C 1.882 179.460 177.584 -0.010 0.000 1.175 107 A CA 1.896 53.926 52.037 -0.012 0.000 0.627 107 A CB -0.674 18.308 19.000 -0.030 0.000 0.815 107 A HN 0.600 nan 8.150 nan 0.000 0.443 108 D N -0.221 120.177 120.400 -0.002 0.000 2.097 108 D HA -0.157 4.482 4.640 -0.002 0.000 0.195 108 D C 2.240 178.547 176.300 0.011 0.000 0.989 108 D CA 1.653 55.654 54.000 0.002 0.000 0.827 108 D CB -0.410 40.396 40.800 0.009 0.000 0.966 108 D HN 0.614 nan 8.370 nan 0.000 0.456 109 Q N 0.014 119.824 119.800 0.018 0.000 2.061 109 Q HA -0.102 4.237 4.340 -0.002 0.000 0.204 109 Q C 2.327 178.355 176.000 0.047 0.000 0.984 109 Q CA 0.988 56.807 55.803 0.026 0.000 0.846 109 Q CB -0.106 28.648 28.738 0.026 0.000 0.902 109 Q HN 0.155 nan 8.270 nan 0.000 0.421 110 V N 0.825 120.769 119.914 0.050 0.000 2.490 110 V HA -0.270 3.849 4.120 -0.002 0.000 0.250 110 V C 2.115 178.245 176.094 0.059 0.000 1.061 110 V CA 1.757 64.103 62.300 0.076 0.000 1.064 110 V CB -0.846 30.994 31.823 0.029 0.000 0.670 110 V HN 0.410 nan 8.190 nan 0.000 0.461 111 A N -0.587 122.246 122.820 0.022 0.000 1.930 111 A HA -0.048 4.271 4.320 -0.002 0.000 0.215 111 A C 2.303 179.901 177.584 0.025 0.000 1.176 111 A CA 1.602 53.643 52.037 0.007 0.000 0.632 111 A CB -0.305 18.685 19.000 -0.016 0.000 0.819 111 A HN 0.334 nan 8.150 nan 0.000 0.445 112 V N -0.120 119.811 119.914 0.028 0.000 2.379 112 V HA 0.027 4.146 4.120 -0.002 0.000 0.243 112 V C 0.674 176.787 176.094 0.031 0.000 1.035 112 V CA 1.651 63.966 62.300 0.024 0.000 1.035 112 V CB -0.564 31.268 31.823 0.015 0.000 0.673 112 V HN 0.683 nan 8.190 nan 0.000 0.457 113 N N -0.845 117.879 118.700 0.039 0.000 2.932 113 N HA 0.077 4.816 4.740 -0.002 0.000 0.242 113 N C 0.086 175.607 175.510 0.019 0.000 1.351 113 N CA -0.499 52.563 53.050 0.019 0.000 0.785 113 N CB 0.336 38.808 38.487 -0.026 0.000 1.501 113 N HN 0.324 nan 8.380 nan 0.000 0.584 114 Y N 2.133 122.422 120.300 -0.020 0.000 2.483 114 Y HA 0.097 4.645 4.550 -0.002 0.000 0.291 114 Y C 1.040 176.930 175.900 -0.015 0.000 1.143 114 Y CA 0.783 58.871 58.100 -0.020 0.000 1.289 114 Y CB -0.238 38.207 38.460 -0.026 0.000 0.983 114 Y HN 0.440 nan 8.280 nan 0.000 0.556 115 L N 0.149 120.943 121.223 -0.714 0.000 2.191 115 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 115 L C 1.719 178.452 176.870 -0.228 0.000 1.103 115 L CA 1.371 55.870 54.840 -0.569 0.000 0.769 115 L CB -0.414 41.355 42.059 -0.484 0.000 0.908 115 L HN 0.135 nan 8.230 nan 0.000 0.438 116 K N 0.030 120.346 120.400 -0.139 0.000 2.399 116 K HA 0.327 4.646 4.320 -0.002 0.000 0.204 116 K C 0.344 176.931 176.600 -0.023 0.000 1.023 116 K CA -0.046 56.202 56.287 -0.064 0.000 1.127 116 K CB 0.574 33.043 32.500 -0.051 0.000 0.856 116 K HN 0.079 nan 8.250 nan 0.000 0.514 117 A N 1.397 124.217 122.820 -0.001 0.000 2.407 117 A HA 0.121 4.440 4.320 -0.002 0.000 0.248 117 A C -0.241 177.358 177.584 0.025 0.000 1.082 117 A CA -0.183 51.871 52.037 0.029 0.000 0.785 117 A CB 0.189 19.229 19.000 0.067 0.000 1.020 117 A HN 0.087 nan 8.150 nan 0.000 0.489 118 D N 1.907 122.322 120.400 0.024 0.000 2.545 118 D HA 0.307 4.946 4.640 -0.002 0.000 0.227 118 D C 0.099 176.417 176.300 0.029 0.000 1.150 118 D CA 0.726 54.739 54.000 0.022 0.000 1.046 118 D CB -0.483 40.329 40.800 0.020 0.000 1.098 118 D HN 0.534 nan 8.370 nan 0.000 0.502 119 I N -2.462 118.129 120.570 0.034 0.000 2.969 119 I HA 0.654 4.823 4.170 -0.002 0.000 0.307 119 I C -2.832 173.306 176.117 0.035 0.000 1.149 119 I CA -2.680 58.644 61.300 0.040 0.000 1.008 119 I CB 2.203 40.235 38.000 0.054 0.000 1.232 119 I HN -0.264 nan 8.210 nan 0.000 0.435 120 P HA 0.418 nan 4.420 nan 0.000 0.276 120 P C -2.306 175.004 177.300 0.016 0.000 1.244 120 P CA -1.541 61.575 63.100 0.027 0.000 0.801 120 P CB 0.158 31.873 31.700 0.026 0.000 1.006 121 P HA -0.226 nan 4.420 nan 0.000 0.218 121 P C 1.572 178.711 177.300 -0.269 0.000 1.152 121 P CA 1.597 64.676 63.100 -0.036 0.000 0.857 121 P CB 0.037 31.804 31.700 0.112 0.000 0.787 122 R N -0.342 120.061 120.500 -0.161 0.000 2.081 122 R HA -0.163 4.176 4.340 -0.002 0.000 0.235 122 R C 2.278 178.609 176.300 0.051 0.000 1.131 122 R CA 1.589 57.593 56.100 -0.160 0.000 0.960 122 R CB -0.368 29.899 30.300 -0.054 0.000 0.856 122 R HN 0.253 nan 8.270 nan 0.000 0.436 123 Q N -0.514 119.320 119.800 0.056 0.000 2.123 123 Q HA -0.125 4.214 4.340 -0.002 0.000 0.199 123 Q C 2.195 178.228 176.000 0.056 0.000 0.966 123 Q CA 1.114 56.972 55.803 0.092 0.000 0.845 123 Q CB -0.076 28.707 28.738 0.075 0.000 0.907 123 Q HN 0.284 nan 8.270 nan 0.000 0.439 124 R N 0.781 121.309 120.500 0.045 0.000 2.083 124 R HA -0.077 4.262 4.340 -0.002 0.000 0.237 124 R C 0.832 177.183 176.300 0.085 0.000 1.137 124 R CA 0.908 57.074 56.100 0.110 0.000 0.951 124 R CB -0.216 30.127 30.300 0.071 0.000 0.851 124 R HN 0.158 nan 8.270 nan 0.000 0.434 128 D N 0.987 121.376 120.400 -0.018 0.000 2.133 128 D HA -0.229 4.410 4.640 -0.002 0.000 0.192 128 D C 1.664 177.969 176.300 0.008 0.000 1.001 128 D CA 2.024 56.065 54.000 0.070 0.000 0.844 128 D CB -0.131 40.743 40.800 0.123 0.000 0.944 128 D HN 0.265 nan 8.370 nan 0.000 0.447 129 F N 1.233 121.093 119.950 -0.150 0.000 2.102 129 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 129 F C 2.220 177.897 175.800 -0.204 0.000 1.105 129 F CA 1.546 59.425 58.000 -0.202 0.000 1.239 129 F CB -0.409 38.435 39.000 -0.260 0.000 0.991 129 F HN -0.050 nan 8.300 nan 0.000 0.474 130 A N 0.649 123.364 122.820 -0.175 0.000 1.883 130 A HA -0.166 4.152 4.320 -0.002 0.000 0.217 130 A C 2.184 179.599 177.584 -0.283 0.000 1.186 130 A CA 1.715 53.597 52.037 -0.258 0.000 0.624 130 A CB -1.119 17.762 19.000 -0.198 0.000 0.822 130 A HN 0.406 nan 8.150 nan 0.000 0.444 131 L N -0.337 120.737 121.223 -0.249 0.000 2.083 131 L HA -0.140 4.198 4.340 -0.002 0.000 0.209 131 L C 2.394 179.153 176.870 -0.185 0.000 1.083 131 L CA 2.261 56.984 54.840 -0.195 0.000 0.752 131 L CB -1.166 40.812 42.059 -0.134 0.000 0.899 131 L HN 0.557 nan 8.230 nan 0.000 0.433 132 K N -0.300 119.962 120.400 -0.230 0.000 2.057 132 K HA -0.118 4.201 4.320 -0.002 0.000 0.206 132 K C 2.041 178.445 176.600 -0.326 0.000 1.050 132 K CA 1.060 57.194 56.287 -0.255 0.000 0.935 132 K CB 0.157 32.496 32.500 -0.268 0.000 0.715 132 K HN 0.077 nan 8.250 nan 0.000 0.439 133 V N 0.889 120.516 119.914 -0.479 0.000 2.490 133 V HA -0.297 3.821 4.120 -0.002 0.000 0.250 133 V C 2.488 178.429 176.094 -0.255 0.000 1.061 133 V CA 1.638 63.681 62.300 -0.428 0.000 1.064 133 V CB -0.407 31.091 31.823 -0.542 0.000 0.670 133 V HN 0.592 nan 8.190 nan 0.000 0.461 134 C N 0.370 119.535 119.300 -0.224 0.000 2.496 134 C HA -0.079 4.380 4.460 -0.002 0.000 0.281 134 C C 2.729 177.652 174.990 -0.112 0.000 1.250 134 C CA 0.966 59.892 59.018 -0.155 0.000 1.717 134 C CB -0.712 26.940 27.740 -0.147 0.000 2.082 134 C HN 0.427 nan 8.230 nan 0.000 0.472 135 K N 0.401 120.741 120.400 -0.100 0.000 2.379 135 K HA 0.303 4.622 4.320 -0.002 0.000 0.194 135 K C 0.552 177.139 176.600 -0.022 0.000 1.031 135 K CA 0.932 57.185 56.287 -0.055 0.000 1.037 135 K CB 0.334 32.807 32.500 -0.045 0.000 0.824 135 K HN 0.516 nan 8.250 nan 0.000 0.516 136 A N 0.936 123.720 122.820 -0.059 0.000 3.368 136 A HA 0.136 4.455 4.320 -0.002 0.000 0.211 136 A C 0.856 178.345 177.584 -0.159 0.000 1.004 136 A CA -0.172 51.838 52.037 -0.045 0.000 1.059 136 A CB -0.319 18.608 19.000 -0.121 0.000 1.298 136 A HN 0.069 nan 8.150 nan 0.000 0.613 137 S N 0.508 116.158 115.700 -0.084 0.000 2.442 137 S HA -0.229 4.239 4.470 -0.002 0.000 0.236 137 S C 1.823 176.369 174.600 -0.090 0.000 1.007 137 S CA 1.427 59.546 58.200 -0.134 0.000 0.965 137 S CB -0.936 62.191 63.200 -0.121 0.000 0.773 137 S HN 0.905 nan 8.310 nan 0.000 0.504 138 H N 1.504 120.531 119.070 -0.072 0.000 2.489 138 H HA 0.058 4.613 4.556 -0.001 0.000 0.295 138 H C 0.980 176.291 175.328 -0.029 0.000 1.082 138 H CA 1.518 57.540 56.048 -0.044 0.000 1.295 138 H CB -0.553 29.187 29.762 -0.037 0.000 1.380 138 H HN 0.592 nan 8.280 nan 0.000 0.548 139 E N 1.169 121.057 120.200 -0.520 0.000 2.465 139 E HA 0.171 4.520 4.350 -0.002 0.000 0.191 139 E C -0.084 176.421 176.600 -0.160 0.000 1.053 139 E CA -0.265 55.932 56.400 -0.338 0.000 0.869 139 E CB 0.779 30.232 29.700 -0.413 0.000 0.977 139 E HN 0.119 nan 8.360 nan 0.000 0.483 140 V N 3.541 123.383 119.914 -0.119 0.000 2.485 140 V HA -0.009 4.110 4.120 -0.002 0.000 0.287 140 V C 0.171 176.315 176.094 0.084 0.000 1.022 140 V CA -0.046 62.228 62.300 -0.043 0.000 1.067 140 V CB -0.147 31.640 31.823 -0.060 0.000 0.967 140 V HN 0.375 nan 8.190 nan 0.000 0.479 141 N N 3.309 122.084 118.700 0.124 0.000 2.831 141 N HA 0.361 5.100 4.740 -0.002 0.000 0.276 141 N C 0.444 176.135 175.510 0.301 0.000 1.416 141 N CA -0.944 52.213 53.050 0.178 0.000 0.799 141 N CB 0.826 39.366 38.487 0.088 0.000 1.554 141 N HN 0.196 nan 8.380 nan 0.000 0.541 142 E N -0.253 120.099 120.200 0.252 0.000 2.204 142 E HA -0.105 4.244 4.350 -0.002 0.000 0.195 142 E C 1.562 178.304 176.600 0.237 0.000 0.990 142 E CA 1.377 57.947 56.400 0.283 0.000 0.821 142 E CB -0.590 29.190 29.700 0.133 0.000 0.750 142 E HN 0.693 nan 8.360 nan 0.000 0.477 143 A N 1.686 124.595 122.820 0.149 0.000 2.019 143 A HA -0.185 4.134 4.320 -0.002 0.000 0.219 143 A C 1.747 179.387 177.584 0.093 0.000 1.164 143 A CA 1.489 53.588 52.037 0.102 0.000 0.644 143 A CB -0.205 18.835 19.000 0.067 0.000 0.805 143 A HN 0.060 nan 8.150 nan 0.000 0.449 144 D N -0.675 119.776 120.400 0.085 0.000 2.117 144 D HA -0.103 4.535 4.640 -0.002 0.000 0.198 144 D C 1.533 177.736 176.300 -0.163 0.000 0.982 144 D CA 1.163 55.157 54.000 -0.010 0.000 0.828 144 D CB -0.371 40.419 40.800 -0.017 0.000 0.967 144 D HN 0.532 nan 8.370 nan 0.000 0.464 145 F N 1.467 121.406 119.950 -0.019 0.000 2.206 145 F HA -0.007 4.518 4.527 -0.002 0.000 0.298 145 F C 2.461 178.232 175.800 -0.049 0.000 1.090 145 F CA 0.650 58.583 58.000 -0.112 0.000 1.323 145 F CB -0.329 38.636 39.000 -0.059 0.000 1.028 145 F HN -0.106 nan 8.300 nan 0.000 0.492 146 E N 0.456 120.761 120.200 0.175 0.000 2.085 146 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 146 E C 2.425 179.075 176.600 0.083 0.000 0.994 146 E CA 1.167 57.632 56.400 0.108 0.000 0.801 146 E CB -0.370 29.381 29.700 0.085 0.000 0.743 146 E HN 0.379 nan 8.360 nan 0.000 0.453 147 A N 1.019 123.883 122.820 0.073 0.000 1.908 147 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 147 A C 2.186 179.872 177.584 0.169 0.000 1.181 147 A CA 1.190 53.287 52.037 0.100 0.000 0.627 147 A CB -0.649 18.405 19.000 0.090 0.000 0.818 147 A HN 0.146 nan 8.150 nan 0.000 0.445 148 L N -1.238 120.039 121.223 0.090 0.000 2.056 148 L HA -0.175 4.164 4.340 -0.002 0.000 0.207 148 L C 2.857 179.905 176.870 0.296 0.000 1.078 148 L CA 1.420 56.369 54.840 0.181 0.000 0.749 148 L CB -0.481 41.510 42.059 -0.113 0.000 0.901 148 L HN 0.352 nan 8.230 nan 0.000 0.433 149 R N -0.328 120.274 120.500 0.170 0.000 2.120 149 R HA -0.137 4.202 4.340 -0.002 0.000 0.234 149 R C 2.275 178.613 176.300 0.064 0.000 1.123 149 R CA 1.306 57.481 56.100 0.125 0.000 0.975 149 R CB -0.334 30.020 30.300 0.090 0.000 0.866 149 R HN 0.252 nan 8.270 nan 0.000 0.446 150 E N -0.152 120.068 120.200 0.033 0.000 2.219 150 E HA -0.156 4.193 4.350 -0.002 0.000 0.198 150 E C 1.217 177.685 176.600 -0.220 0.000 0.998 150 E CA 1.068 57.410 56.400 -0.097 0.000 0.818 150 E CB -0.318 29.298 29.700 -0.141 0.000 0.741 150 E HN 0.568 nan 8.360 nan 0.000 0.477 151 H N -1.772 117.319 119.070 0.036 0.000 2.517 151 H HA 0.359 4.914 4.556 -0.002 0.000 0.282 151 H C 1.611 176.826 175.328 -0.187 0.000 1.023 151 H CA 0.557 56.585 56.048 -0.034 0.000 1.169 151 H CB 0.805 30.587 29.762 0.034 0.000 1.454 151 H HN 0.448 nan 8.280 nan 0.000 0.556 152 G N 0.875 109.646 108.800 -0.049 0.000 2.175 152 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.244 152 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.244 152 G C -0.087 174.723 174.900 -0.150 0.000 0.982 152 G CA -0.330 44.695 45.100 -0.126 0.000 0.641 152 G HN 0.172 nan 8.290 nan 0.000 0.527 153 F N 2.042 122.018 119.950 0.043 0.000 2.410 153 F HA 0.568 5.095 4.527 -0.001 0.000 0.334 153 F C 1.487 177.300 175.800 0.022 0.000 1.134 153 F CA 0.470 58.484 58.000 0.025 0.000 1.227 153 F CB 1.024 40.026 39.000 0.003 0.000 1.194 153 F HN 0.193 nan 8.300 nan 0.000 0.571 154 T N -2.332 112.363 114.554 0.235 0.000 2.936 154 T HA 0.254 4.603 4.350 -0.002 0.000 0.282 154 T C 0.536 175.327 174.700 0.151 0.000 1.003 154 T CA -0.821 61.364 62.100 0.142 0.000 1.005 154 T CB 1.187 70.112 68.868 0.096 0.000 1.097 154 T HN 0.424 nan 8.240 nan 0.000 0.532 155 D N 0.057 120.527 120.400 0.117 0.000 2.219 155 D HA -0.059 4.580 4.640 -0.002 0.000 0.205 155 D C 1.918 178.325 176.300 0.177 0.000 0.970 155 D CA 0.765 54.850 54.000 0.142 0.000 0.851 155 D CB 0.041 40.865 40.800 0.040 0.000 0.943 155 D HN 0.571 nan 8.370 nan 0.000 0.488 156 E N 0.746 121.020 120.200 0.123 0.000 2.150 156 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 156 E C 1.376 178.070 176.600 0.156 0.000 0.985 156 E CA 0.654 57.120 56.400 0.110 0.000 0.814 156 E CB -0.098 29.612 29.700 0.017 0.000 0.752 156 E HN 0.358 nan 8.360 nan 0.000 0.466 157 D N 0.945 121.434 120.400 0.149 0.000 2.144 157 D HA -0.092 4.547 4.640 -0.002 0.000 0.200 157 D C 1.850 178.184 176.300 0.057 0.000 0.978 157 D CA 1.282 55.364 54.000 0.137 0.000 0.833 157 D CB -0.241 40.719 40.800 0.266 0.000 0.961 157 D HN 0.139 nan 8.370 nan 0.000 0.470 158 A N 1.236 124.091 122.820 0.058 0.000 1.858 158 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 158 A C 2.135 179.882 177.584 0.272 0.000 1.190 158 A CA 1.355 53.377 52.037 -0.025 0.000 0.617 158 A CB -1.276 17.761 19.000 0.061 0.000 0.827 158 A HN 0.396 nan 8.150 nan 0.000 0.443 159 W N 1.520 122.920 121.300 0.166 0.000 2.304 159 W HA -0.232 4.428 4.660 -0.001 0.000 0.315 159 W C 1.258 177.847 176.519 0.117 0.000 1.233 159 W CA 2.446 59.890 57.345 0.165 0.000 1.261 159 W CB -0.697 28.830 29.460 0.112 0.000 1.150 159 W HN 0.450 nan 8.180 nan 0.000 0.494 160 D N 0.183 120.840 120.400 0.429 0.000 2.104 160 D HA -0.198 4.441 4.640 -0.002 0.000 0.194 160 D C 2.194 178.593 176.300 0.165 0.000 0.994 160 D CA 2.144 56.309 54.000 0.275 0.000 0.830 160 D CB -0.778 40.123 40.800 0.167 0.000 0.959 160 D HN 0.248 nan 8.370 nan 0.000 0.452 161 I N 0.964 121.604 120.570 0.118 0.000 2.226 161 I HA -0.249 3.920 4.170 -0.002 0.000 0.245 161 I C 2.459 178.626 176.117 0.082 0.000 1.100 161 I CA 1.078 62.422 61.300 0.073 0.000 1.374 161 I CB -0.242 37.802 38.000 0.073 0.000 1.057 161 I HN -0.069 nan 8.210 nan 0.000 0.413 162 A N 0.807 123.714 122.820 0.144 0.000 1.877 162 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 162 A C 2.559 180.108 177.584 -0.057 0.000 1.186 162 A CA 1.894 53.923 52.037 -0.014 0.000 0.620 162 A CB -0.945 18.050 19.000 -0.008 0.000 0.822 162 A HN 0.418 nan 8.150 nan 0.000 0.443 163 A N -0.189 122.629 122.820 -0.004 0.000 1.933 163 A HA -0.085 4.234 4.320 -0.002 0.000 0.218 163 A C 2.116 179.727 177.584 0.045 0.000 1.175 163 A CA 1.542 53.595 52.037 0.027 0.000 0.628 163 A CB -0.615 18.505 19.000 0.200 0.000 0.814 163 A HN 0.508 nan 8.150 nan 0.000 0.444 164 I N -0.608 120.011 120.570 0.083 0.000 2.315 164 I HA -0.204 3.965 4.170 -0.002 0.000 0.248 164 I C 2.507 178.725 176.117 0.167 0.000 1.117 164 I CA 1.664 63.055 61.300 0.153 0.000 1.404 164 I CB -0.484 37.568 38.000 0.086 0.000 1.071 164 I HN 0.252 nan 8.210 nan 0.000 0.419 165 T N 0.678 115.248 114.554 0.026 0.000 2.777 165 T HA -0.095 4.254 4.350 -0.002 0.000 0.266 165 T C 2.079 176.749 174.700 -0.050 0.000 1.040 165 T CA 1.323 63.402 62.100 -0.034 0.000 1.141 165 T CB -0.251 68.543 68.868 -0.125 0.000 0.868 165 T HN 0.452 nan 8.240 nan 0.000 0.444 166 A N 1.260 124.033 122.820 -0.078 0.000 1.851 166 A HA -0.070 4.249 4.320 -0.002 0.000 0.216 166 A C 2.044 179.529 177.584 -0.164 0.000 1.195 166 A CA 1.634 53.597 52.037 -0.123 0.000 0.622 166 A CB -1.074 17.846 19.000 -0.133 0.000 0.831 166 A HN 0.513 nan 8.150 nan 0.000 0.444 167 F N -0.782 118.963 119.950 -0.342 0.000 2.186 167 F HA -0.051 4.475 4.527 -0.001 0.000 0.299 167 F C 1.615 177.080 175.800 -0.558 0.000 1.090 167 F CA 1.289 58.940 58.000 -0.582 0.000 1.307 167 F CB -0.188 38.311 39.000 -0.834 0.000 1.019 167 F HN 0.166 nan 8.300 nan 0.000 0.489 168 F N 0.363 120.170 119.950 -0.239 0.000 2.748 168 F HA 0.130 4.656 4.527 -0.002 0.000 0.299 168 F C 2.392 178.030 175.800 -0.271 0.000 1.154 168 F CA 0.816 58.645 58.000 -0.284 0.000 1.446 168 F CB -0.853 38.036 39.000 -0.185 0.000 1.112 168 F HN 0.059 nan 8.300 nan 0.000 0.584 169 G N -0.052 108.647 108.800 -0.168 0.000 2.396 169 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.214 169 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.214 169 G C 1.700 176.463 174.900 -0.229 0.000 1.166 169 G CA 0.298 45.302 45.100 -0.160 0.000 0.793 169 G HN 0.386 nan 8.290 nan 0.000 0.533 170 L N 0.574 121.578 121.223 -0.366 0.000 2.012 170 L HA -0.072 4.267 4.340 -0.002 0.000 0.210 170 L C 2.852 179.510 176.870 -0.353 0.000 1.073 170 L CA 1.988 56.596 54.840 -0.385 0.000 0.748 170 L CB -0.261 41.472 42.059 -0.544 0.000 0.891 170 L HN 0.314 nan 8.230 nan 0.000 0.431 171 S N -0.179 115.232 115.700 -0.482 0.000 2.368 171 S HA -0.192 4.277 4.470 -0.002 0.000 0.224 171 S C 1.602 176.124 174.600 -0.131 0.000 1.029 171 S CA 1.752 59.803 58.200 -0.247 0.000 0.988 171 S CB -0.513 62.466 63.200 -0.368 0.000 0.838 171 S HN 0.632 nan 8.310 nan 0.000 0.462 172 N N 0.420 119.061 118.700 -0.098 0.000 2.120 172 N HA -0.058 4.681 4.740 -0.002 0.000 0.188 172 N C 1.010 176.479 175.510 -0.069 0.000 1.024 172 N CA 0.649 53.671 53.050 -0.046 0.000 0.852 172 N CB -0.083 38.382 38.487 -0.036 0.000 1.003 172 N HN 0.330 nan 8.380 nan 0.000 0.424 176 N N 1.119 119.799 118.700 -0.032 0.000 2.120 176 N HA -0.097 4.642 4.740 -0.002 0.000 0.188 176 N C 1.569 177.076 175.510 -0.006 0.000 1.024 176 N CA 2.144 55.190 53.050 -0.007 0.000 0.852 176 N CB -0.565 37.917 38.487 -0.009 0.000 1.003 176 N HN 0.577 nan 8.380 nan 0.000 0.424 177 T N 1.930 116.471 114.554 -0.022 0.000 2.788 177 T HA -0.060 4.289 4.350 -0.002 0.000 0.268 177 T C 1.814 176.542 174.700 0.045 0.000 1.044 177 T CA 0.946 63.047 62.100 0.001 0.000 1.139 177 T CB -0.139 68.715 68.868 -0.022 0.000 0.867 177 T HN 0.485 nan 8.240 nan 0.000 0.454 178 I N -1.162 119.422 120.570 0.023 0.000 3.928 178 I HA 0.494 4.663 4.170 -0.002 0.000 0.335 178 I C 0.988 177.147 176.117 0.070 0.000 1.325 178 I CA -0.299 61.058 61.300 0.094 0.000 1.107 178 I CB -0.857 37.164 38.000 0.035 0.000 1.014 178 I HN 0.245 nan 8.210 nan 0.000 0.400 182 P HA 0.125 nan 4.420 nan 0.000 0.276 182 P C -1.022 176.550 177.300 0.453 0.000 1.235 182 P CA -0.284 62.995 63.100 0.299 0.000 0.772 182 P CB 0.495 32.172 31.700 -0.039 0.000 0.871 183 N N 2.255 121.248 118.700 0.489 0.000 2.395 183 N HA -0.045 4.694 4.740 -0.002 0.000 0.246 183 N C 0.988 176.630 175.510 0.221 0.000 1.246 183 N CA 0.359 53.562 53.050 0.255 0.000 0.879 183 N CB -0.116 38.401 38.487 0.051 0.000 1.098 183 N HN 0.347 nan 8.380 nan 0.000 0.444 184 D N 1.375 121.816 120.400 0.068 0.000 2.149 184 D HA -0.150 4.489 4.640 -0.002 0.000 0.198 184 D C 1.198 177.509 176.300 0.019 0.000 0.990 184 D CA 1.241 55.273 54.000 0.053 0.000 0.839 184 D CB -0.058 40.687 40.800 -0.091 0.000 0.948 184 D HN 0.574 nan 8.370 nan 0.000 0.460 185 E N -0.221 119.780 120.200 -0.333 0.000 2.114 185 E HA -0.177 4.171 4.350 -0.002 0.000 0.199 185 E C 1.858 178.329 176.600 -0.214 0.000 1.008 185 E CA 0.777 56.883 56.400 -0.491 0.000 0.810 185 E CB -0.392 28.524 29.700 -1.307 0.000 0.739 185 E HN 0.339 nan 8.360 nan 0.000 0.456 186 F N -0.852 119.082 119.950 -0.027 0.000 2.234 186 F HA -0.067 4.459 4.527 -0.002 0.000 0.299 186 F C 1.719 177.491 175.800 -0.047 0.000 1.087 186 F CA 0.628 58.605 58.000 -0.038 0.000 1.340 186 F CB -0.532 38.375 39.000 -0.155 0.000 1.031 186 F HN 0.011 nan 8.300 nan 0.000 0.500 187 F N -0.605 119.405 119.950 0.100 0.000 2.269 187 F HA -0.063 4.463 4.527 -0.002 0.000 0.301 187 F C 1.251 177.066 175.800 0.026 0.000 1.082 187 F CA 0.571 58.599 58.000 0.047 0.000 1.360 187 F CB -0.457 38.553 39.000 0.016 0.000 1.041 187 F HN -0.104 nan 8.300 nan 0.000 0.512 191 R N -0.074 120.453 120.500 0.044 0.000 2.210 191 R HA 0.245 4.584 4.340 -0.002 0.000 0.203 191 R C 0.179 176.499 176.300 0.034 0.000 1.010 191 R CA 0.650 56.773 56.100 0.038 0.000 1.008 191 R CB 0.588 30.913 30.300 0.041 0.000 0.923 191 R HN 0.224 nan 8.270 nan 0.000 0.469 192 V N 3.333 123.268 119.914 0.034 0.000 2.350 192 V HA 0.268 4.387 4.120 -0.002 0.000 0.285 192 V C -1.992 174.121 176.094 0.032 0.000 1.014 192 V CA -1.932 60.386 62.300 0.030 0.000 0.831 192 V CB 1.122 32.961 31.823 0.026 0.000 1.000 192 V HN 0.049 nan 8.190 nan 0.000 0.433 193 P HA 0.531 nan 4.420 nan 0.000 0.275 193 P C 0.273 177.591 177.300 0.030 0.000 1.270 193 P CA 0.375 63.494 63.100 0.033 0.000 0.791 193 P CB 0.214 31.932 31.700 0.030 0.000 1.089 194 K N 0.000 120.419 120.400 0.031 0.000 2.780 194 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 194 K CA 0.000 56.304 56.287 0.028 0.000 0.838 194 K CB 0.000 32.514 32.500 0.023 0.000 1.064 194 K HN 0.000 nan 8.250 nan 0.000 0.543