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_A 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 0.000 177.540 177.584 -0.073 0.000 1.274 5 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 5 A CB 0.000 19.015 19.000 0.024 0.000 0.831 6 H N 1.705 120.781 119.070 0.010 0.000 2.764 6 H HA 0.295 4.787 4.556 -0.107 0.000 0.341 6 H C -1.868 173.475 175.328 0.025 0.000 1.072 6 H CA -0.233 55.825 56.048 0.016 0.000 1.444 6 H CB 0.459 30.233 29.762 0.020 0.000 1.458 6 H HN 0.498 nan 8.280 nan 0.000 0.572 7 P HA -0.019 nan 4.420 nan 0.000 0.268 7 P C 1.132 178.493 177.300 0.102 0.000 1.205 7 P CA 0.057 63.206 63.100 0.082 0.000 0.771 7 P CB 0.700 32.427 31.700 0.046 0.000 0.858 8 I N -1.294 119.328 120.570 0.088 0.000 3.728 8 I HA 0.227 4.334 4.170 -0.106 0.000 0.307 8 I C 0.441 176.596 176.117 0.062 0.000 1.276 8 I CA 0.143 61.499 61.300 0.092 0.000 1.285 8 I CB 0.246 38.308 38.000 0.103 0.000 1.038 8 I HN 0.212 nan 8.210 nan 0.000 0.445 9 S N 0.342 116.074 115.700 0.054 0.000 2.565 9 S HA 0.353 4.760 4.470 -0.106 0.000 0.269 9 S C 0.373 174.997 174.600 0.039 0.000 1.153 9 S CA -0.817 57.415 58.200 0.054 0.000 0.835 9 S CB 1.857 65.091 63.200 0.057 0.000 1.122 9 S HN 0.338 nan 8.310 nan 0.000 0.462 10 R N 0.790 121.324 120.500 0.056 0.000 2.148 10 R HA 0.088 4.365 4.340 -0.106 0.000 0.223 10 R C -0.356 175.805 176.300 -0.232 0.000 1.088 10 R CA 1.036 57.095 56.100 -0.070 0.000 0.985 10 R CB -0.091 30.162 30.300 -0.078 0.000 0.880 10 R HN 0.647 nan 8.270 nan 0.000 0.451 11 Y N 0.369 120.594 120.300 -0.124 0.000 2.480 11 Y HA 0.359 4.880 4.550 -0.048 0.000 0.323 11 Y C -1.850 173.903 175.900 -0.245 0.000 1.267 11 Y CA -2.836 55.121 58.100 -0.239 0.000 1.336 11 Y CB 0.302 38.546 38.460 -0.360 0.000 1.361 11 Y HN 0.003 nan 8.280 nan 0.000 0.518 12 P HA 0.095 nan 4.420 nan 0.000 0.268 12 P C -1.310 175.975 177.300 -0.025 0.000 1.205 12 P CA -0.049 62.995 63.100 -0.094 0.000 0.771 12 P CB 0.509 32.180 31.700 -0.048 0.000 0.858 13 V N 5.628 125.561 119.914 0.033 0.000 2.311 13 V HA 0.262 4.319 4.120 -0.106 0.000 0.275 13 V C -1.757 174.382 176.094 0.076 0.000 1.022 13 V CA -1.606 60.735 62.300 0.069 0.000 0.830 13 V CB 0.717 32.579 31.823 0.064 0.000 1.012 13 V HN 0.602 nan 8.190 nan 0.000 0.452 14 P HA 0.223 nan 4.420 nan 0.000 0.271 14 P C -0.225 177.101 177.300 0.044 0.000 1.218 14 P CA -0.267 62.875 63.100 0.070 0.000 0.780 14 P CB 0.904 32.643 31.700 0.064 0.000 0.901 15 E N 1.405 121.623 120.200 0.030 0.000 2.373 15 E HA 0.101 4.387 4.350 -0.106 0.000 0.263 15 E C 1.510 178.113 176.600 0.004 0.000 1.073 15 E CA -0.475 55.937 56.400 0.019 0.000 0.894 15 E CB 0.815 30.524 29.700 0.015 0.000 1.008 15 E HN 0.397 nan 8.360 nan 0.000 0.420 16 L N 1.342 122.565 121.223 -0.000 0.000 1.989 16 L HA -0.288 3.989 4.340 -0.106 0.000 0.211 16 L C 2.297 179.154 176.870 -0.022 0.000 1.071 16 L CA 1.870 56.700 54.840 -0.017 0.000 0.749 16 L CB -0.570 41.480 42.059 -0.015 0.000 0.890 16 L HN 0.635 nan 8.230 nan 0.000 0.431 17 A N -0.115 122.697 122.820 -0.013 0.000 1.958 17 A HA -0.278 3.978 4.320 -0.106 0.000 0.221 17 A C 2.363 179.938 177.584 -0.015 0.000 1.178 17 A CA 2.060 54.089 52.037 -0.013 0.000 0.642 17 A CB -0.730 18.266 19.000 -0.006 0.000 0.816 17 A HN 0.489 nan 8.150 nan 0.000 0.453 18 A N -1.267 121.546 122.820 -0.012 0.000 2.167 18 A HA 0.398 4.655 4.320 -0.106 0.000 0.214 18 A C 0.958 178.526 177.584 -0.027 0.000 1.151 18 A CA 0.163 52.193 52.037 -0.012 0.000 0.735 18 A CB -0.282 18.718 19.000 -0.001 0.000 0.802 18 A HN 0.444 nan 8.150 nan 0.000 0.467 19 L N 0.232 121.429 121.223 -0.043 0.000 2.379 19 L HA 0.334 4.611 4.340 -0.106 0.000 0.269 19 L C -2.258 174.568 176.870 -0.073 0.000 1.084 19 L CA -2.345 52.451 54.840 -0.074 0.000 0.802 19 L CB 0.665 42.655 42.059 -0.115 0.000 1.175 19 L HN -0.033 nan 8.230 nan 0.000 0.448 20 P HA -0.083 nan 4.420 nan 0.000 0.266 20 P C -0.114 177.145 177.300 -0.068 0.000 1.186 20 P CA 0.236 63.297 63.100 -0.065 0.000 0.767 20 P CB 0.567 32.227 31.700 -0.067 0.000 0.820 21 D N 1.506 121.881 120.400 -0.043 0.000 2.144 21 D HA -0.187 4.390 4.640 -0.106 0.000 0.200 21 D C 1.375 177.655 176.300 -0.034 0.000 0.978 21 D CA 1.323 55.301 54.000 -0.037 0.000 0.833 21 D CB -0.135 40.651 40.800 -0.022 0.000 0.961 21 D HN 0.444 nan 8.370 nan 0.000 0.470 22 D N 0.532 120.919 120.400 -0.022 0.000 2.117 22 D HA -0.206 4.370 4.640 -0.106 0.000 0.197 22 D C 2.288 178.585 176.300 -0.006 0.000 0.987 22 D CA 0.803 54.804 54.000 0.002 0.000 0.829 22 D CB -0.767 40.049 40.800 0.027 0.000 0.961 22 D HN 0.372 nan 8.370 nan 0.000 0.460 23 I N 0.367 120.888 120.570 -0.081 0.000 2.226 23 I HA -0.208 3.899 4.170 -0.106 0.000 0.245 23 I C 2.987 178.981 176.117 -0.206 0.000 1.100 23 I CA 0.849 62.000 61.300 -0.249 0.000 1.374 23 I CB -0.225 37.468 38.000 -0.512 0.000 1.057 23 I HN -0.042 nan 8.210 nan 0.000 0.413 24 R N 0.662 121.078 120.500 -0.140 0.000 2.120 24 R HA -0.189 4.088 4.340 -0.106 0.000 0.234 24 R C 2.237 178.502 176.300 -0.059 0.000 1.123 24 R CA 1.370 57.413 56.100 -0.093 0.000 0.975 24 R CB -0.006 30.252 30.300 -0.071 0.000 0.866 24 R HN 0.441 nan 8.270 nan 0.000 0.446 25 Q N -0.539 119.238 119.800 -0.038 0.000 2.123 25 Q HA -0.139 4.138 4.340 -0.106 0.000 0.199 25 Q C 2.132 178.115 176.000 -0.028 0.000 0.966 25 Q CA 1.186 56.973 55.803 -0.026 0.000 0.845 25 Q CB -0.093 28.640 28.738 -0.009 0.000 0.907 25 Q HN 0.279 nan 8.270 nan 0.000 0.439 26 R N 0.842 121.350 120.500 0.012 0.000 2.096 26 R HA -0.121 4.155 4.340 -0.106 0.000 0.235 26 R C 2.071 178.288 176.300 -0.139 0.000 1.127 26 R CA 1.059 57.164 56.100 0.009 0.000 0.968 26 R CB -0.111 30.294 30.300 0.174 0.000 0.861 26 R HN 0.231 nan 8.270 nan 0.000 0.440 27 I N 0.617 121.135 120.570 -0.085 0.000 2.202 27 I HA -0.289 3.818 4.170 -0.106 0.000 0.242 27 I C 2.091 178.078 176.117 -0.216 0.000 1.091 27 I CA 1.156 62.342 61.300 -0.189 0.000 1.368 27 I CB -0.126 37.849 38.000 -0.043 0.000 1.058 27 I HN 0.217 nan 8.210 nan 0.000 0.410 28 L N 0.273 121.418 121.223 -0.129 0.000 2.217 28 L HA -0.176 4.101 4.340 -0.106 0.000 0.211 28 L C 2.535 179.331 176.870 -0.123 0.000 1.107 28 L CA 1.018 55.794 54.840 -0.108 0.000 0.783 28 L CB -0.472 41.547 42.059 -0.066 0.000 0.919 28 L HN 0.304 nan 8.230 nan 0.000 0.442 29 E N 0.055 120.176 120.200 -0.131 0.000 2.051 29 E HA -0.238 4.048 4.350 -0.106 0.000 0.192 29 E C 2.255 178.754 176.600 -0.169 0.000 0.991 29 E CA 1.442 57.772 56.400 -0.118 0.000 0.799 29 E CB 0.062 29.708 29.700 -0.089 0.000 0.748 29 E HN 0.242 nan 8.360 nan 0.000 0.449 30 V N 0.745 120.482 119.914 -0.294 0.000 2.667 30 V HA -0.204 3.852 4.120 -0.106 0.000 0.252 30 V C 2.365 178.268 176.094 -0.318 0.000 1.065 30 V CA 2.144 64.223 62.300 -0.367 0.000 1.083 30 V CB -0.157 31.239 31.823 -0.712 0.000 0.692 30 V HN 0.338 nan 8.190 nan 0.000 0.468 31 Q N 0.324 119.966 119.800 -0.263 0.000 2.096 31 Q HA -0.233 4.044 4.340 -0.106 0.000 0.204 31 Q C 1.771 177.689 176.000 -0.136 0.000 0.982 31 Q CA 2.617 58.309 55.803 -0.183 0.000 0.850 31 Q CB -0.400 28.269 28.738 -0.116 0.000 0.901 31 Q HN 0.668 nan 8.270 nan 0.000 0.422 32 D N -0.349 119.984 120.400 -0.113 0.000 2.149 32 D HA -0.109 4.468 4.640 -0.106 0.000 0.201 32 D C 1.554 177.809 176.300 -0.075 0.000 0.972 32 D CA 0.991 54.946 54.000 -0.074 0.000 0.835 32 D CB -0.106 40.660 40.800 -0.056 0.000 0.966 32 D HN 0.321 nan 8.370 nan 0.000 0.476 33 K N 0.304 120.644 120.400 -0.100 0.000 2.057 33 K HA -0.031 4.225 4.320 -0.106 0.000 0.206 33 K C 1.775 178.317 176.600 -0.097 0.000 1.050 33 K CA 1.237 57.477 56.287 -0.078 0.000 0.935 33 K CB 0.125 32.582 32.500 -0.072 0.000 0.715 33 K HN 0.018 nan 8.250 nan 0.000 0.439 34 A N -0.850 121.852 122.820 -0.196 0.000 2.063 34 A HA 0.258 4.515 4.320 -0.106 0.000 0.211 34 A C 1.391 178.879 177.584 -0.161 0.000 1.177 34 A CA 0.905 52.776 52.037 -0.275 0.000 0.759 34 A CB 0.253 18.840 19.000 -0.687 0.000 0.857 34 A HN 0.488 nan 8.150 nan 0.000 0.468 35 G N -1.774 106.957 108.800 -0.115 0.000 2.175 35 G HA2 -0.163 3.734 3.960 -0.106 0.000 0.244 35 G HA3 -0.163 3.734 3.960 -0.106 0.000 0.244 35 G C 0.096 175.080 174.900 0.140 0.000 0.982 35 G CA 0.514 45.632 45.100 0.029 0.000 0.641 35 G HN 1.692 nan 8.290 nan 0.000 0.527 36 F N -2.484 117.429 119.950 -0.062 0.000 2.773 36 F HA 0.707 5.169 4.527 -0.109 0.000 0.314 36 F C -0.868 174.900 175.800 -0.053 0.000 1.160 36 F CA -1.759 56.207 58.000 -0.057 0.000 0.920 36 F CB 1.059 40.014 39.000 -0.076 0.000 1.323 36 F HN 0.226 nan 8.300 nan 0.000 0.457 37 V N 2.329 122.312 119.914 0.114 0.000 2.328 37 V HA 0.435 4.492 4.120 -0.106 0.000 0.278 37 V C -2.305 173.963 176.094 0.290 0.000 1.021 37 V CA -1.959 60.349 62.300 0.014 0.000 0.838 37 V CB 0.987 32.834 31.823 0.041 0.000 0.999 37 V HN 0.561 nan 8.190 nan 0.000 0.447 38 P HA 0.066 nan 4.420 nan 0.000 0.264 38 P C 0.569 178.235 177.300 0.611 0.000 1.183 38 P CA 0.181 63.694 63.100 0.688 0.000 0.763 38 P CB 0.460 32.666 31.700 0.842 0.000 0.807 39 N N 1.866 120.879 118.700 0.522 0.000 2.443 39 N HA -0.109 4.568 4.740 -0.106 0.000 0.184 39 N C 1.672 177.235 175.510 0.089 0.000 1.037 39 N CA 0.468 53.679 53.050 0.269 0.000 0.896 39 N CB -0.632 37.972 38.487 0.195 0.000 0.959 39 N HN 0.206 nan 8.380 nan 0.000 0.442 40 V N 0.180 120.126 119.914 0.053 0.000 2.332 40 V HA -0.235 3.821 4.120 -0.106 0.000 0.248 40 V C 1.635 177.726 176.094 -0.005 0.000 1.055 40 V CA 1.553 63.763 62.300 -0.149 0.000 1.038 40 V CB -0.435 31.337 31.823 -0.084 0.000 0.651 40 V HN 0.038 nan 8.190 nan 0.000 0.450 41 F N 0.014 120.108 119.950 0.239 0.000 2.060 41 F HA -0.094 4.379 4.527 -0.091 0.000 0.295 41 F C 2.205 178.214 175.800 0.349 0.000 1.120 41 F CA 2.100 60.255 58.000 0.259 0.000 1.205 41 F CB -0.703 38.364 39.000 0.112 0.000 0.986 41 F HN 0.079 nan 8.300 nan 0.000 0.470 42 L N -0.273 121.197 121.223 0.411 0.000 2.079 42 L HA -0.207 4.069 4.340 -0.106 0.000 0.210 42 L C 2.527 179.514 176.870 0.196 0.000 1.081 42 L CA 1.904 56.901 54.840 0.261 0.000 0.752 42 L CB -1.323 40.856 42.059 0.201 0.000 0.896 42 L HN 0.360 nan 8.230 nan 0.000 0.433 43 T N -3.027 111.614 114.554 0.144 0.000 2.978 43 T HA 0.003 4.289 4.350 -0.106 0.000 0.262 43 T C 1.774 176.522 174.700 0.079 0.000 1.063 43 T CA 0.383 62.528 62.100 0.074 0.000 1.140 43 T CB -0.262 68.599 68.868 -0.011 0.000 0.886 43 T HN 0.203 nan 8.240 nan 0.000 0.470 44 L N 0.827 122.102 121.223 0.087 0.000 2.395 44 L HA 0.315 4.592 4.340 -0.106 0.000 0.218 44 L C 3.060 180.110 176.870 0.300 0.000 1.130 44 L CA 0.529 55.416 54.840 0.078 0.000 0.826 44 L CB -0.500 41.465 42.059 -0.157 0.000 0.941 44 L HN 0.361 nan 8.230 nan 0.000 0.451 45 A N -0.496 122.561 122.820 0.395 0.000 2.125 45 A HA -0.274 3.983 4.320 -0.106 0.000 0.219 45 A C 2.005 179.655 177.584 0.110 0.000 1.156 45 A CA 1.422 53.574 52.037 0.192 0.000 0.671 45 A CB -0.764 18.267 19.000 0.051 0.000 0.794 45 A HN 0.521 nan 8.150 nan 0.000 0.459 46 H N 0.003 119.105 119.070 0.052 0.000 2.457 46 H HA -0.012 4.470 4.556 -0.123 0.000 0.297 46 H C 0.373 175.708 175.328 0.010 0.000 1.092 46 H CA 1.436 57.499 56.048 0.025 0.000 1.309 46 H CB 0.082 29.855 29.762 0.019 0.000 1.382 46 H HN 0.183 nan 8.280 nan 0.000 0.535 47 R N 0.378 120.839 120.500 -0.066 0.000 2.494 47 R HA 0.161 4.438 4.340 -0.106 0.000 0.284 47 R C -2.233 174.081 176.300 0.024 0.000 1.525 47 R CA -1.792 54.242 56.100 -0.109 0.000 1.460 47 R CB 0.904 31.145 30.300 -0.098 0.000 1.134 47 R HN 0.304 nan 8.270 nan 0.000 0.592 48 P HA -0.168 nan 4.420 nan 0.000 0.216 48 P C 0.591 177.964 177.300 0.121 0.000 1.150 48 P CA 1.228 64.350 63.100 0.035 0.000 0.843 48 P CB 0.449 32.126 31.700 -0.040 0.000 0.787 49 D N -0.714 119.733 120.400 0.079 0.000 2.178 49 D HA -0.139 4.438 4.640 -0.106 0.000 0.201 49 D C 1.817 178.206 176.300 0.147 0.000 0.980 49 D CA 1.070 55.130 54.000 0.100 0.000 0.842 49 D CB -0.367 40.467 40.800 0.056 0.000 0.948 49 D HN 0.368 nan 8.370 nan 0.000 0.472 50 E N -0.654 119.631 120.200 0.141 0.000 2.170 50 E HA -0.059 4.228 4.350 -0.106 0.000 0.191 50 E C 1.729 178.476 176.600 0.245 0.000 0.981 50 E CA -0.025 56.465 56.400 0.149 0.000 0.830 50 E CB -0.110 29.629 29.700 0.065 0.000 0.775 50 E HN 0.194 nan 8.360 nan 0.000 0.470 51 F N 2.349 122.378 119.950 0.131 0.000 2.095 51 F HA -0.211 4.249 4.527 -0.112 0.000 0.298 51 F C 2.147 178.196 175.800 0.415 0.000 1.104 51 F CA 1.647 59.814 58.000 0.278 0.000 1.232 51 F CB 0.095 39.234 39.000 0.230 0.000 0.987 51 F HN -0.188 nan 8.300 nan 0.000 0.475 52 R N 0.037 120.883 120.500 0.577 0.000 2.062 52 R HA -0.105 4.172 4.340 -0.106 0.000 0.231 52 R C 2.493 178.976 176.300 0.305 0.000 1.136 52 R CA 1.307 57.665 56.100 0.431 0.000 0.948 52 R CB -1.023 29.453 30.300 0.293 0.000 0.845 52 R HN 0.387 nan 8.270 nan 0.000 0.430 53 A N 0.866 123.837 122.820 0.252 0.000 1.902 53 A HA -0.198 4.058 4.320 -0.106 0.000 0.217 53 A C 1.989 179.719 177.584 0.243 0.000 1.181 53 A CA 1.162 53.323 52.037 0.207 0.000 0.623 53 A CB -0.655 18.456 19.000 0.184 0.000 0.818 53 A HN 0.353 nan 8.150 nan 0.000 0.443 54 F N -0.511 119.481 119.950 0.071 0.000 2.075 54 F HA -0.160 4.298 4.527 -0.115 0.000 0.297 54 F C 1.885 177.590 175.800 -0.157 0.000 1.113 54 F CA 2.020 59.988 58.000 -0.052 0.000 1.218 54 F CB -0.306 38.484 39.000 -0.349 0.000 0.984 54 F HN 0.211 nan 8.300 nan 0.000 0.472 55 F N 0.124 120.174 119.950 0.166 0.000 2.367 55 F HA 0.060 4.534 4.527 -0.089 0.000 0.298 55 F C 2.410 178.227 175.800 0.028 0.000 1.094 55 F CA 0.770 58.781 58.000 0.017 0.000 1.409 55 F CB -1.260 37.697 39.000 -0.072 0.000 1.064 55 F HN 0.069 nan 8.300 nan 0.000 0.528 56 A N -0.450 122.487 122.820 0.195 0.000 1.858 56 A HA -0.256 4.001 4.320 -0.106 0.000 0.216 56 A C 2.054 179.640 177.584 0.002 0.000 1.190 56 A CA 1.580 53.678 52.037 0.102 0.000 0.617 56 A CB -1.381 17.668 19.000 0.081 0.000 0.827 56 A HN 0.373 nan 8.150 nan 0.000 0.443 57 Y N -0.009 120.176 120.300 -0.191 0.000 2.145 57 Y HA -0.237 4.253 4.550 -0.101 0.000 0.286 57 Y C 2.526 177.999 175.900 -0.712 0.000 1.145 57 Y CA 1.794 59.654 58.100 -0.400 0.000 1.148 57 Y CB -0.715 37.480 38.460 -0.441 0.000 0.981 57 Y HN 0.625 nan 8.280 nan 0.000 0.507 58 H N -0.005 118.568 119.070 -0.829 0.000 2.319 58 H HA -0.169 4.322 4.556 -0.109 0.000 0.297 58 H C 1.338 176.510 175.328 -0.261 0.000 1.097 58 H CA 2.165 57.717 56.048 -0.826 0.000 1.285 58 H CB -0.199 29.230 29.762 -0.556 0.000 1.368 58 H HN 0.301 nan 8.280 nan 0.000 0.495 59 D N 0.387 120.840 120.400 0.089 0.000 2.219 59 D HA -0.039 4.537 4.640 -0.106 0.000 0.205 59 D C 2.192 178.488 176.300 -0.006 0.000 0.970 59 D CA 1.062 55.130 54.000 0.113 0.000 0.851 59 D CB -0.436 40.467 40.800 0.172 0.000 0.943 59 D HN 0.494 nan 8.370 nan 0.000 0.488 60 A N 0.065 122.853 122.820 -0.055 0.000 2.067 60 A HA 0.001 4.258 4.320 -0.106 0.000 0.219 60 A C 1.278 178.837 177.584 -0.041 0.000 1.158 60 A CA 0.662 52.665 52.037 -0.057 0.000 0.661 60 A CB -0.169 18.769 19.000 -0.104 0.000 0.801 60 A HN 0.155 nan 8.150 nan 0.000 0.452 64 K N 1.143 121.543 120.400 0.001 0.000 2.380 64 K HA 0.200 4.456 4.320 -0.106 0.000 0.267 64 K C -0.568 176.030 176.600 -0.004 0.000 0.990 64 K CA -0.178 56.106 56.287 -0.006 0.000 0.946 64 K CB 0.718 33.211 32.500 -0.012 0.000 0.937 64 K HN -0.133 nan 8.250 nan 0.000 0.491 65 D N 0.113 120.508 120.400 -0.010 0.000 2.304 65 D HA 0.524 5.100 4.640 -0.106 0.000 0.250 65 D C 0.261 176.557 176.300 -0.007 0.000 1.107 65 D CA 0.214 54.208 54.000 -0.010 0.000 0.885 65 D CB 1.435 42.227 40.800 -0.013 0.000 1.192 65 D HN 0.744 nan 8.370 nan 0.000 0.436 66 G N -0.506 108.295 108.800 0.002 0.000 2.427 66 G HA2 0.463 4.359 3.960 -0.106 0.000 0.306 66 G HA3 0.463 4.359 3.960 -0.106 0.000 0.306 66 G C 0.928 175.846 174.900 0.029 0.000 1.280 66 G CA -0.005 45.103 45.100 0.013 0.000 0.837 66 G HN 0.645 nan 8.290 nan 0.000 0.482 67 G N -0.677 108.157 108.800 0.056 0.000 2.422 67 G HA2 0.125 4.021 3.960 -0.106 0.000 0.218 67 G HA3 0.125 4.021 3.960 -0.106 0.000 0.218 67 G C 0.837 175.801 174.900 0.107 0.000 1.146 67 G CA 0.583 45.731 45.100 0.080 0.000 0.769 67 G HN 0.555 nan 8.290 nan 0.000 0.547 68 L N 2.181 123.480 121.223 0.127 0.000 2.305 68 L HA 0.322 4.598 4.340 -0.106 0.000 0.281 68 L C 1.071 177.984 176.870 0.073 0.000 1.085 68 L CA -0.796 54.129 54.840 0.141 0.000 0.813 68 L CB 1.057 43.194 42.059 0.130 0.000 1.157 68 L HN 0.106 nan 8.230 nan 0.000 0.436 69 T N -1.073 113.519 114.554 0.064 0.000 2.802 69 T HA 0.074 4.361 4.350 -0.106 0.000 0.305 69 T C 1.109 175.813 174.700 0.008 0.000 1.053 69 T CA -0.423 61.688 62.100 0.018 0.000 1.058 69 T CB 0.819 69.696 68.868 0.016 0.000 0.988 69 T HN 0.815 nan 8.240 nan 0.000 0.539 70 K N 0.724 121.087 120.400 -0.062 0.000 2.097 70 K HA -0.023 4.233 4.320 -0.106 0.000 0.206 70 K C 2.302 178.957 176.600 0.092 0.000 1.049 70 K CA 1.443 57.671 56.287 -0.099 0.000 0.933 70 K CB -0.986 31.240 32.500 -0.456 0.000 0.717 70 K HN 0.675 nan 8.250 nan 0.000 0.442 71 G N 1.379 110.242 108.800 0.105 0.000 2.403 71 G HA2 -0.195 3.702 3.960 -0.106 0.000 0.216 71 G HA3 -0.195 3.702 3.960 -0.106 0.000 0.216 71 G C 1.193 176.162 174.900 0.115 0.000 1.154 71 G CA 0.471 45.693 45.100 0.204 0.000 0.784 71 G HN 0.414 nan 8.290 nan 0.000 0.538 72 E N 0.273 120.521 120.200 0.080 0.000 2.110 72 E HA -0.107 4.179 4.350 -0.106 0.000 0.193 72 E C 2.748 179.362 176.600 0.024 0.000 0.988 72 E CA 0.594 57.031 56.400 0.061 0.000 0.804 72 E CB -0.073 29.687 29.700 0.100 0.000 0.745 72 E HN 0.336 nan 8.360 nan 0.000 0.458 73 R N 0.872 121.392 120.500 0.033 0.000 2.081 73 R HA -0.065 4.212 4.340 -0.106 0.000 0.235 73 R C 1.162 177.415 176.300 -0.078 0.000 1.131 73 R CA 0.730 56.823 56.100 -0.012 0.000 0.960 73 R CB -0.066 30.249 30.300 0.024 0.000 0.856 73 R HN 0.098 nan 8.270 nan 0.000 0.436 77 V N 1.450 121.103 119.914 -0.436 0.000 2.261 77 V HA -0.219 3.838 4.120 -0.106 0.000 0.246 77 V C 2.337 178.194 176.094 -0.396 0.000 1.047 77 V CA 2.262 64.174 62.300 -0.646 0.000 1.015 77 V CB -0.395 30.712 31.823 -1.193 0.000 0.642 77 V HN 0.249 nan 8.190 nan 0.000 0.446 78 V N 0.375 120.119 119.914 -0.283 0.000 2.343 78 V HA -0.259 3.798 4.120 -0.106 0.000 0.247 78 V C 2.695 178.703 176.094 -0.144 0.000 1.051 78 V CA 2.102 64.296 62.300 -0.177 0.000 1.036 78 V CB -1.153 30.599 31.823 -0.119 0.000 0.654 78 V HN 0.559 nan 8.190 nan 0.000 0.451 79 A N 0.698 123.422 122.820 -0.160 0.000 1.898 79 A HA -0.194 4.063 4.320 -0.106 0.000 0.216 79 A C 2.486 179.981 177.584 -0.149 0.000 1.181 79 A CA 2.379 54.326 52.037 -0.149 0.000 0.620 79 A CB -0.875 17.973 19.000 -0.254 0.000 0.819 79 A HN 0.635 nan 8.150 nan 0.000 0.442 80 T N -3.239 111.207 114.554 -0.180 0.000 2.896 80 T HA -0.044 4.242 4.350 -0.106 0.000 0.263 80 T C 1.999 176.633 174.700 -0.110 0.000 1.050 80 T CA 1.546 63.556 62.100 -0.150 0.000 1.140 80 T CB -0.441 68.329 68.868 -0.163 0.000 0.877 80 T HN 0.250 nan 8.240 nan 0.000 0.457 81 S N 2.046 117.673 115.700 -0.122 0.000 2.368 81 S HA 0.128 4.535 4.470 -0.106 0.000 0.224 81 S C 2.620 177.184 174.600 -0.060 0.000 1.029 81 S CA 0.910 59.060 58.200 -0.082 0.000 0.988 81 S CB -0.821 62.319 63.200 -0.100 0.000 0.838 81 S HN 0.752 nan 8.310 nan 0.000 0.462 82 A N 1.323 124.104 122.820 -0.064 0.000 1.978 82 A HA 0.079 4.335 4.320 -0.106 0.000 0.220 82 A C 2.221 179.790 177.584 -0.024 0.000 1.170 82 A CA 1.676 53.691 52.037 -0.037 0.000 0.636 82 A CB -0.765 18.219 19.000 -0.027 0.000 0.810 82 A HN 0.525 nan 8.150 nan 0.000 0.448 83 A N -0.730 122.070 122.820 -0.034 0.000 2.072 83 A HA 0.026 4.282 4.320 -0.106 0.000 0.216 83 A C 1.427 178.994 177.584 -0.028 0.000 1.156 83 A CA 0.967 52.989 52.037 -0.027 0.000 0.701 83 A CB -0.207 18.771 19.000 -0.036 0.000 0.816 83 A HN 0.446 nan 8.150 nan 0.000 0.458 84 N N 0.508 119.188 118.700 -0.033 0.000 2.268 84 N HA 0.072 4.748 4.740 -0.106 0.000 0.204 84 N C -0.530 174.972 175.510 -0.014 0.000 1.124 84 N CA 0.046 53.080 53.050 -0.026 0.000 0.838 84 N CB -0.054 38.413 38.487 -0.034 0.000 0.994 84 N HN 0.490 nan 8.380 nan 0.000 0.489 85 Q N -0.204 119.589 119.800 -0.012 0.000 2.413 85 Q HA -0.223 4.053 4.340 -0.106 0.000 0.364 85 Q C -0.604 175.400 176.000 0.007 0.000 1.359 85 Q CA 0.344 56.146 55.803 -0.002 0.000 1.097 85 Q CB -1.692 27.048 28.738 0.003 0.000 1.286 85 Q HN 0.341 nan 8.270 nan 0.000 0.358 86 C N 1.346 120.649 119.300 0.006 0.000 2.256 86 C HA 0.248 4.644 4.460 -0.106 0.000 0.333 86 C C 1.727 176.737 174.990 0.034 0.000 1.183 86 C CA -0.707 58.328 59.018 0.030 0.000 1.692 86 C CB -0.446 27.315 27.740 0.036 0.000 2.274 86 C HN 0.768 nan 8.230 nan 0.000 0.509 87 L N 6.258 127.516 121.223 0.058 0.000 1.989 87 L HA -0.066 4.211 4.340 -0.106 0.000 0.211 87 L C 1.894 178.785 176.870 0.035 0.000 1.071 87 L CA 2.239 57.112 54.840 0.055 0.000 0.749 87 L CB -1.280 40.836 42.059 0.094 0.000 0.890 87 L HN 0.843 nan 8.230 nan 0.000 0.431 88 Y N -0.215 120.091 120.300 0.010 0.000 2.049 88 Y HA -0.337 4.155 4.550 -0.098 0.000 0.277 88 Y C 2.688 178.572 175.900 -0.027 0.000 1.143 88 Y CA 2.188 60.292 58.100 0.008 0.000 1.115 88 Y CB -0.964 37.522 38.460 0.044 0.000 0.975 88 Y HN 0.323 nan 8.280 nan 0.000 0.487 89 C N -0.941 118.328 119.300 -0.051 0.000 2.425 89 C HA -0.138 4.259 4.460 -0.106 0.000 0.277 89 C C 2.839 177.751 174.990 -0.129 0.000 1.280 89 C CA 0.948 59.945 59.018 -0.036 0.000 1.744 89 C CB -1.295 26.517 27.740 0.120 0.000 1.989 89 C HN 0.521 nan 8.230 nan 0.000 0.491 90 V N 0.739 120.571 119.914 -0.136 0.000 2.295 90 V HA -0.189 3.868 4.120 -0.106 0.000 0.246 90 V C 2.425 178.382 176.094 -0.228 0.000 1.049 90 V CA 2.137 64.350 62.300 -0.145 0.000 1.024 90 V CB -0.644 31.119 31.823 -0.100 0.000 0.648 90 V HN 0.463 nan 8.190 nan 0.000 0.447 91 V N 0.107 119.822 119.914 -0.332 0.000 2.323 91 V HA -0.180 3.877 4.120 -0.106 0.000 0.244 91 V C 2.675 178.409 176.094 -0.600 0.000 1.041 91 V CA 1.857 63.867 62.300 -0.483 0.000 1.025 91 V CB -1.088 30.334 31.823 -0.667 0.000 0.656 91 V HN 0.539 nan 8.190 nan 0.000 0.451 92 A N -0.909 121.378 122.820 -0.888 0.000 1.877 92 A HA -0.236 4.021 4.320 -0.106 0.000 0.216 92 A C 2.102 179.100 177.584 -0.978 0.000 1.186 92 A CA 1.798 52.908 52.037 -1.544 0.000 0.620 92 A CB -0.738 17.214 19.000 -1.747 0.000 0.822 92 A HN 0.683 nan 8.150 nan 0.000 0.443 93 H N -1.156 117.597 119.070 -0.529 0.000 2.512 93 H HA 0.014 4.505 4.556 -0.109 0.000 0.279 93 H C 2.360 177.538 175.328 -0.251 0.000 0.999 93 H CA 0.754 56.609 56.048 -0.321 0.000 1.283 93 H CB -0.144 29.457 29.762 -0.269 0.000 1.421 93 H HN 0.541 nan 8.280 nan 0.000 0.554 94 G N 0.948 109.657 108.800 -0.152 0.000 2.418 94 G HA2 -0.229 3.667 3.960 -0.106 0.000 0.217 94 G HA3 -0.229 3.667 3.960 -0.106 0.000 0.217 94 G C 1.973 176.808 174.900 -0.109 0.000 1.158 94 G CA 0.907 45.935 45.100 -0.120 0.000 0.771 94 G HN 0.428 nan 8.290 nan 0.000 0.545 95 A N 0.840 123.578 122.820 -0.136 0.000 1.883 95 A HA -0.002 4.254 4.320 -0.106 0.000 0.217 95 A C 2.412 179.957 177.584 -0.065 0.000 1.186 95 A CA 1.451 53.468 52.037 -0.033 0.000 0.624 95 A CB -0.372 18.709 19.000 0.134 0.000 0.822 95 A HN 0.391 nan 8.150 nan 0.000 0.444 96 I N -0.948 119.528 120.570 -0.155 0.000 2.202 96 I HA -0.202 3.905 4.170 -0.106 0.000 0.242 96 I C 2.400 178.324 176.117 -0.321 0.000 1.091 96 I CA 1.094 62.210 61.300 -0.307 0.000 1.368 96 I CB -0.382 37.410 38.000 -0.347 0.000 1.058 96 I HN 0.374 nan 8.210 nan 0.000 0.410 97 L N 1.276 122.408 121.223 -0.152 0.000 2.043 97 L HA -0.243 4.034 4.340 -0.106 0.000 0.212 97 L C 2.618 179.481 176.870 -0.012 0.000 1.075 97 L CA 1.888 56.700 54.840 -0.045 0.000 0.752 97 L CB -0.688 41.356 42.059 -0.025 0.000 0.891 97 L HN 0.111 nan 8.230 nan 0.000 0.432 98 R N -0.709 119.774 120.500 -0.028 0.000 2.096 98 R HA -0.135 4.141 4.340 -0.106 0.000 0.235 98 R C 2.275 178.588 176.300 0.022 0.000 1.127 98 R CA 1.925 58.028 56.100 0.004 0.000 0.968 98 R CB -0.472 29.831 30.300 0.004 0.000 0.861 98 R HN 0.444 nan 8.270 nan 0.000 0.440 99 I N -0.542 120.020 120.570 -0.014 0.000 2.193 99 I HA -0.263 3.843 4.170 -0.106 0.000 0.240 99 I C 1.906 178.113 176.117 0.149 0.000 1.084 99 I CA 1.093 62.409 61.300 0.027 0.000 1.365 99 I CB -0.337 37.642 38.000 -0.036 0.000 1.064 99 I HN 0.068 nan 8.210 nan 0.000 0.410 100 Y N 1.167 121.494 120.300 0.045 0.000 2.224 100 Y HA -0.186 4.301 4.550 -0.106 0.000 0.289 100 Y C 2.555 178.475 175.900 0.033 0.000 1.146 100 Y CA 0.829 58.953 58.100 0.040 0.000 1.182 100 Y CB -0.714 37.771 38.460 0.042 0.000 0.983 100 Y HN 0.226 nan 8.280 nan 0.000 0.524 101 E N 0.006 120.319 120.200 0.188 0.000 2.385 101 E HA -0.045 4.241 4.350 -0.106 0.000 0.194 101 E C 0.384 177.034 176.600 0.084 0.000 1.013 101 E CA 0.231 56.698 56.400 0.112 0.000 0.866 101 E CB -0.050 29.701 29.700 0.084 0.000 0.832 101 E HN 0.348 nan 8.360 nan 0.000 0.500 102 K N 0.685 121.136 120.400 0.086 0.000 3.096 102 K HA -0.196 4.061 4.320 -0.106 0.000 0.266 102 K C -0.542 176.087 176.600 0.048 0.000 1.043 102 K CA 0.616 56.941 56.287 0.064 0.000 0.758 102 K CB -1.228 31.308 32.500 0.061 0.000 1.260 102 K HN 0.006 nan 8.250 nan 0.000 0.481 103 K N -0.064 120.363 120.400 0.045 0.000 2.675 103 K HA 0.152 4.409 4.320 -0.106 0.000 0.224 103 K C -1.941 174.677 176.600 0.030 0.000 1.003 103 K CA -1.797 54.512 56.287 0.035 0.000 1.034 103 K CB 1.511 34.033 32.500 0.036 0.000 1.218 103 K HN -0.211 nan 8.250 nan 0.000 0.507 104 P HA -0.135 nan 4.420 nan 0.000 0.228 104 P C 0.583 177.895 177.300 0.020 0.000 1.151 104 P CA 0.995 64.110 63.100 0.024 0.000 0.770 104 P CB 0.309 32.024 31.700 0.026 0.000 0.786 105 L N -1.788 119.447 121.223 0.020 0.000 2.470 105 L HA 0.096 4.373 4.340 -0.106 0.000 0.219 105 L C 2.454 179.333 176.870 0.015 0.000 1.071 105 L CA 0.235 55.085 54.840 0.017 0.000 0.850 105 L CB -0.792 41.277 42.059 0.017 0.000 1.040 105 L HN -0.203 nan 8.230 nan 0.000 0.475 106 V N 0.816 120.741 119.914 0.018 0.000 2.594 106 V HA -0.255 3.801 4.120 -0.106 0.000 0.253 106 V C 2.581 178.683 176.094 0.013 0.000 1.069 106 V CA 1.882 64.194 62.300 0.020 0.000 1.082 106 V CB 0.024 31.862 31.823 0.026 0.000 0.680 106 V HN 0.426 nan 8.190 nan 0.000 0.469 107 A N -0.370 122.452 122.820 0.003 0.000 1.872 107 A HA -0.162 4.095 4.320 -0.106 0.000 0.214 107 A C 1.901 179.479 177.584 -0.012 0.000 1.187 107 A CA 1.732 53.762 52.037 -0.012 0.000 0.614 107 A CB -0.623 18.359 19.000 -0.029 0.000 0.826 107 A HN 0.588 nan 8.150 nan 0.000 0.442 108 D N -0.187 120.210 120.400 -0.005 0.000 2.144 108 D HA -0.132 4.444 4.640 -0.106 0.000 0.200 108 D C 2.146 178.450 176.300 0.007 0.000 0.978 108 D CA 1.407 55.407 54.000 -0.001 0.000 0.833 108 D CB -0.452 40.351 40.800 0.006 0.000 0.961 108 D HN 0.618 nan 8.370 nan 0.000 0.470 109 Q N 0.137 119.944 119.800 0.012 0.000 2.050 109 Q HA -0.083 4.194 4.340 -0.106 0.000 0.202 109 Q C 2.316 178.336 176.000 0.033 0.000 0.980 109 Q CA 0.927 56.740 55.803 0.017 0.000 0.840 109 Q CB -0.012 28.738 28.738 0.019 0.000 0.898 109 Q HN 0.152 nan 8.270 nan 0.000 0.424 110 V N 0.766 120.704 119.914 0.040 0.000 2.515 110 V HA -0.236 3.820 4.120 -0.106 0.000 0.250 110 V C 2.139 178.266 176.094 0.055 0.000 1.058 110 V CA 1.671 64.013 62.300 0.070 0.000 1.064 110 V CB -0.842 31.001 31.823 0.033 0.000 0.675 110 V HN 0.390 nan 8.190 nan 0.000 0.461 111 A N -0.392 122.437 122.820 0.016 0.000 1.968 111 A HA -0.074 4.183 4.320 -0.106 0.000 0.217 111 A C 2.289 179.883 177.584 0.016 0.000 1.169 111 A CA 1.849 53.886 52.037 0.000 0.000 0.638 111 A CB -0.308 18.680 19.000 -0.021 0.000 0.812 111 A HN 0.361 nan 8.150 nan 0.000 0.446 112 V N -0.537 119.389 119.914 0.019 0.000 2.492 112 V HA 0.076 4.133 4.120 -0.106 0.000 0.241 112 V C 0.627 176.730 176.094 0.016 0.000 1.041 112 V CA 1.460 63.768 62.300 0.014 0.000 1.057 112 V CB -0.497 31.329 31.823 0.006 0.000 0.711 112 V HN 0.646 nan 8.190 nan 0.000 0.468 113 N N -0.667 118.043 118.700 0.017 0.000 2.932 113 N HA 0.101 4.778 4.740 -0.106 0.000 0.242 113 N C 0.159 175.648 175.510 -0.035 0.000 1.351 113 N CA -0.489 52.545 53.050 -0.026 0.000 0.785 113 N CB 0.432 38.883 38.487 -0.059 0.000 1.501 113 N HN 0.340 nan 8.380 nan 0.000 0.584 114 Y N 1.697 121.980 120.300 -0.029 0.000 2.333 114 Y HA 0.046 4.534 4.550 -0.104 0.000 0.290 114 Y C 1.123 177.009 175.900 -0.024 0.000 1.144 114 Y CA 0.853 58.935 58.100 -0.029 0.000 1.228 114 Y CB -0.293 38.144 38.460 -0.039 0.000 0.985 114 Y HN 0.418 nan 8.280 nan 0.000 0.542 115 L N 0.212 121.001 121.223 -0.724 0.000 2.187 115 L HA -0.134 4.143 4.340 -0.106 0.000 0.213 115 L C 1.516 178.261 176.870 -0.209 0.000 1.100 115 L CA 1.337 55.861 54.840 -0.527 0.000 0.765 115 L CB -0.356 41.407 42.059 -0.493 0.000 0.904 115 L HN 0.160 nan 8.230 nan 0.000 0.437 116 K N -0.073 120.243 120.400 -0.141 0.000 2.514 116 K HA 0.359 4.616 4.320 -0.106 0.000 0.207 116 K C 0.147 176.732 176.600 -0.025 0.000 1.035 116 K CA -0.048 56.199 56.287 -0.067 0.000 1.113 116 K CB 0.792 33.256 32.500 -0.061 0.000 0.846 116 K HN 0.060 nan 8.250 nan 0.000 0.491 117 A N 0.857 123.676 122.820 -0.002 0.000 2.271 117 A HA 0.269 4.526 4.320 -0.106 0.000 0.288 117 A C -0.308 177.289 177.584 0.023 0.000 1.094 117 A CA -0.399 51.653 52.037 0.024 0.000 0.828 117 A CB 0.326 19.359 19.000 0.055 0.000 1.091 117 A HN 0.083 nan 8.150 nan 0.000 0.493 118 D N 1.461 121.875 120.400 0.023 0.000 2.608 118 D HA 0.334 4.910 4.640 -0.106 0.000 0.224 118 D C -0.118 176.200 176.300 0.029 0.000 1.123 118 D CA 0.710 54.723 54.000 0.022 0.000 1.030 118 D CB -0.574 40.238 40.800 0.020 0.000 1.093 118 D HN 0.498 nan 8.370 nan 0.000 0.497 119 I N -2.372 118.218 120.570 0.033 0.000 2.769 119 I HA 0.596 4.703 4.170 -0.106 0.000 0.298 119 I C -2.662 173.477 176.117 0.036 0.000 1.128 119 I CA -2.433 58.891 61.300 0.040 0.000 1.031 119 I CB 2.589 40.621 38.000 0.054 0.000 1.235 119 I HN -0.231 nan 8.210 nan 0.000 0.423 120 P HA 0.271 nan 4.420 nan 0.000 0.271 120 P C -2.295 175.019 177.300 0.024 0.000 1.233 120 P CA -1.079 62.041 63.100 0.033 0.000 0.789 120 P CB -0.080 31.640 31.700 0.034 0.000 0.951 121 P HA -0.159 nan 4.420 nan 0.000 0.216 121 P C 1.720 178.894 177.300 -0.210 0.000 1.150 121 P CA 1.503 64.596 63.100 -0.012 0.000 0.843 121 P CB -0.133 31.630 31.700 0.105 0.000 0.787 122 R N 0.304 120.731 120.500 -0.122 0.000 2.083 122 R HA -0.210 4.066 4.340 -0.106 0.000 0.237 122 R C 2.100 178.421 176.300 0.036 0.000 1.137 122 R CA 1.868 57.887 56.100 -0.134 0.000 0.951 122 R CB -0.583 29.732 30.300 0.026 0.000 0.851 122 R HN 0.229 nan 8.270 nan 0.000 0.434 123 Q N -0.487 119.348 119.800 0.059 0.000 2.230 123 Q HA -0.110 4.166 4.340 -0.106 0.000 0.202 123 Q C 2.214 178.235 176.000 0.037 0.000 0.963 123 Q CA 1.090 56.945 55.803 0.086 0.000 0.866 123 Q CB -0.009 28.774 28.738 0.075 0.000 0.931 123 Q HN 0.333 nan 8.270 nan 0.000 0.452 124 R N 0.709 121.227 120.500 0.030 0.000 2.066 124 R HA -0.019 4.258 4.340 -0.106 0.000 0.232 124 R C 0.831 177.160 176.300 0.049 0.000 1.131 124 R CA 0.787 56.948 56.100 0.101 0.000 0.955 124 R CB -0.153 30.195 30.300 0.080 0.000 0.851 124 R HN 0.160 nan 8.270 nan 0.000 0.432 128 D N 0.976 121.300 120.400 -0.127 0.000 2.104 128 D HA -0.172 4.405 4.640 -0.106 0.000 0.194 128 D C 1.706 177.980 176.300 -0.045 0.000 0.994 128 D CA 1.751 55.756 54.000 0.009 0.000 0.830 128 D CB -0.045 40.810 40.800 0.092 0.000 0.959 128 D HN 0.262 nan 8.370 nan 0.000 0.452 129 F N 1.563 121.395 119.950 -0.197 0.000 2.146 129 F HA -0.068 4.397 4.527 -0.103 0.000 0.298 129 F C 2.223 177.881 175.800 -0.237 0.000 1.096 129 F CA 1.334 59.194 58.000 -0.234 0.000 1.275 129 F CB -0.273 38.551 39.000 -0.293 0.000 1.008 129 F HN -0.070 nan 8.300 nan 0.000 0.480 130 A N 0.407 123.089 122.820 -0.230 0.000 1.892 130 A HA -0.199 4.058 4.320 -0.106 0.000 0.218 130 A C 2.040 179.432 177.584 -0.321 0.000 1.188 130 A CA 2.072 53.930 52.037 -0.298 0.000 0.631 130 A CB -1.223 17.628 19.000 -0.247 0.000 0.822 130 A HN 0.411 nan 8.150 nan 0.000 0.447 131 L N -0.541 120.512 121.223 -0.285 0.000 2.201 131 L HA -0.063 4.214 4.340 -0.106 0.000 0.212 131 L C 2.356 179.099 176.870 -0.211 0.000 1.105 131 L CA 1.948 56.658 54.840 -0.217 0.000 0.775 131 L CB -0.379 41.587 42.059 -0.154 0.000 0.913 131 L HN 0.450 nan 8.230 nan 0.000 0.440 132 K N -0.640 119.595 120.400 -0.275 0.000 2.062 132 K HA -0.095 4.162 4.320 -0.106 0.000 0.205 132 K C 2.024 178.411 176.600 -0.355 0.000 1.051 132 K CA 1.026 57.137 56.287 -0.293 0.000 0.941 132 K CB 0.070 32.383 32.500 -0.310 0.000 0.719 132 K HN 0.093 nan 8.250 nan 0.000 0.440 133 V N 0.912 120.525 119.914 -0.502 0.000 2.343 133 V HA -0.303 3.753 4.120 -0.106 0.000 0.247 133 V C 2.499 178.441 176.094 -0.253 0.000 1.051 133 V CA 1.739 63.784 62.300 -0.426 0.000 1.036 133 V CB -0.416 31.086 31.823 -0.535 0.000 0.654 133 V HN 0.602 nan 8.190 nan 0.000 0.451 134 C N 0.187 119.348 119.300 -0.231 0.000 2.429 134 C HA -0.109 4.288 4.460 -0.106 0.000 0.277 134 C C 2.596 177.517 174.990 -0.115 0.000 1.262 134 C CA 1.144 60.067 59.018 -0.158 0.000 1.733 134 C CB -0.817 26.831 27.740 -0.153 0.000 2.010 134 C HN 0.467 nan 8.230 nan 0.000 0.483 135 K N -0.327 120.006 120.400 -0.112 0.000 2.391 135 K HA 0.351 4.608 4.320 -0.106 0.000 0.197 135 K C 0.521 177.100 176.600 -0.035 0.000 1.087 135 K CA 0.897 57.146 56.287 -0.063 0.000 1.012 135 K CB 0.549 33.018 32.500 -0.052 0.000 0.925 135 K HN 0.395 nan 8.250 nan 0.000 0.547 136 A N 1.365 124.132 122.820 -0.090 0.000 3.339 136 A HA 0.164 4.421 4.320 -0.106 0.000 0.219 136 A C 0.893 178.330 177.584 -0.246 0.000 0.974 136 A CA -0.112 51.852 52.037 -0.123 0.000 1.050 136 A CB -0.211 18.679 19.000 -0.183 0.000 1.271 136 A HN 0.066 nan 8.150 nan 0.000 0.565 137 S N 0.572 116.197 115.700 -0.125 0.000 2.419 137 S HA -0.235 4.172 4.470 -0.106 0.000 0.233 137 S C 1.784 176.315 174.600 -0.114 0.000 1.016 137 S CA 1.513 59.621 58.200 -0.153 0.000 0.974 137 S CB -0.907 62.225 63.200 -0.112 0.000 0.786 137 S HN 0.887 nan 8.310 nan 0.000 0.492 138 H N 0.964 119.993 119.070 -0.068 0.000 2.521 138 H HA 0.160 4.652 4.556 -0.107 0.000 0.286 138 H C 1.075 176.389 175.328 -0.024 0.000 1.034 138 H CA 1.309 57.333 56.048 -0.039 0.000 1.278 138 H CB -0.484 29.258 29.762 -0.033 0.000 1.386 138 H HN 0.584 nan 8.280 nan 0.000 0.567 139 E N 1.075 120.951 120.200 -0.540 0.000 2.479 139 E HA 0.153 4.440 4.350 -0.106 0.000 0.193 139 E C -0.032 176.477 176.600 -0.152 0.000 1.049 139 E CA -0.266 55.940 56.400 -0.323 0.000 0.870 139 E CB 0.801 30.264 29.700 -0.395 0.000 0.944 139 E HN 0.098 nan 8.360 nan 0.000 0.492 140 V N 3.481 123.323 119.914 -0.121 0.000 2.529 140 V HA -0.040 4.017 4.120 -0.106 0.000 0.292 140 V C 0.128 176.275 176.094 0.088 0.000 1.028 140 V CA 0.126 62.407 62.300 -0.033 0.000 1.074 140 V CB -0.040 31.760 31.823 -0.038 0.000 0.958 140 V HN 0.376 nan 8.190 nan 0.000 0.481 141 N N 3.377 122.154 118.700 0.129 0.000 2.761 141 N HA 0.378 5.054 4.740 -0.106 0.000 0.283 141 N C 0.449 176.142 175.510 0.306 0.000 1.377 141 N CA -0.936 52.222 53.050 0.180 0.000 0.791 141 N CB 0.756 39.300 38.487 0.094 0.000 1.540 141 N HN 0.212 nan 8.380 nan 0.000 0.539 142 E N -0.274 120.081 120.200 0.257 0.000 2.153 142 E HA -0.127 4.160 4.350 -0.106 0.000 0.194 142 E C 1.536 178.270 176.600 0.223 0.000 0.988 142 E CA 1.404 57.971 56.400 0.279 0.000 0.811 142 E CB -0.555 29.226 29.700 0.135 0.000 0.746 142 E HN 0.696 nan 8.360 nan 0.000 0.466 143 A N 1.526 124.430 122.820 0.140 0.000 2.067 143 A HA -0.164 4.093 4.320 -0.106 0.000 0.219 143 A C 1.745 179.374 177.584 0.074 0.000 1.158 143 A CA 1.276 53.369 52.037 0.092 0.000 0.661 143 A CB -0.147 18.891 19.000 0.064 0.000 0.801 143 A HN 0.070 nan 8.150 nan 0.000 0.452 144 D N -0.680 119.757 120.400 0.062 0.000 2.117 144 D HA -0.102 4.475 4.640 -0.106 0.000 0.198 144 D C 1.504 177.660 176.300 -0.240 0.000 0.982 144 D CA 1.163 55.138 54.000 -0.041 0.000 0.828 144 D CB -0.301 40.496 40.800 -0.005 0.000 0.967 144 D HN 0.516 nan 8.370 nan 0.000 0.464 145 F N 1.659 121.569 119.950 -0.066 0.000 2.163 145 F HA -0.022 4.441 4.527 -0.107 0.000 0.297 145 F C 2.510 178.271 175.800 -0.066 0.000 1.094 145 F CA 0.701 58.615 58.000 -0.144 0.000 1.290 145 F CB -0.362 38.589 39.000 -0.081 0.000 1.017 145 F HN -0.117 nan 8.300 nan 0.000 0.483 146 E N 0.323 120.616 120.200 0.156 0.000 2.058 146 E HA -0.246 4.040 4.350 -0.106 0.000 0.194 146 E C 2.419 179.058 176.600 0.065 0.000 0.997 146 E CA 1.158 57.615 56.400 0.094 0.000 0.801 146 E CB -0.372 29.375 29.700 0.077 0.000 0.746 146 E HN 0.375 nan 8.360 nan 0.000 0.450 147 A N 0.959 123.812 122.820 0.056 0.000 1.933 147 A HA -0.170 4.087 4.320 -0.106 0.000 0.218 147 A C 2.168 179.843 177.584 0.153 0.000 1.175 147 A CA 1.072 53.161 52.037 0.086 0.000 0.628 147 A CB -0.567 18.483 19.000 0.083 0.000 0.814 147 A HN 0.140 nan 8.150 nan 0.000 0.444 148 L N -1.170 120.101 121.223 0.080 0.000 2.027 148 L HA -0.172 4.105 4.340 -0.106 0.000 0.206 148 L C 2.854 179.893 176.870 0.282 0.000 1.074 148 L CA 1.341 56.282 54.840 0.168 0.000 0.745 148 L CB -0.463 41.521 42.059 -0.125 0.000 0.898 148 L HN 0.351 nan 8.230 nan 0.000 0.433 149 R N -0.132 120.458 120.500 0.150 0.000 2.105 149 R HA -0.171 4.105 4.340 -0.106 0.000 0.239 149 R C 2.072 178.390 176.300 0.030 0.000 1.135 149 R CA 1.121 57.280 56.100 0.099 0.000 0.967 149 R CB -0.314 30.027 30.300 0.069 0.000 0.861 149 R HN 0.418 nan 8.270 nan 0.000 0.442 150 E N -0.122 120.071 120.200 -0.012 0.000 2.209 150 E HA -0.171 4.115 4.350 -0.106 0.000 0.196 150 E C 1.355 177.769 176.600 -0.310 0.000 0.993 150 E CA 1.037 57.339 56.400 -0.164 0.000 0.819 150 E CB -0.052 29.513 29.700 -0.225 0.000 0.745 150 E HN 0.574 nan 8.360 nan 0.000 0.477 151 H N -1.187 117.891 119.070 0.013 0.000 2.551 151 H HA 0.196 4.689 4.556 -0.105 0.000 0.271 151 H C 1.209 176.362 175.328 -0.292 0.000 0.984 151 H CA 0.801 56.806 56.048 -0.072 0.000 1.164 151 H CB 1.177 30.970 29.762 0.051 0.000 1.437 151 H HN 0.307 nan 8.280 nan 0.000 0.550 152 G N 0.831 109.534 108.800 -0.162 0.000 2.148 152 G HA2 -0.226 3.671 3.960 -0.106 0.000 0.203 152 G HA3 -0.226 3.671 3.960 -0.106 0.000 0.203 152 G C -0.344 174.391 174.900 -0.275 0.000 0.993 152 G CA -0.520 44.437 45.100 -0.239 0.000 0.661 152 G HN 0.138 nan 8.290 nan 0.000 0.518 153 F N 2.811 122.782 119.950 0.034 0.000 2.411 153 F HA 0.543 5.008 4.527 -0.103 0.000 0.355 153 F C 1.451 177.262 175.800 0.019 0.000 1.117 153 F CA 0.047 58.058 58.000 0.019 0.000 1.139 153 F CB 1.086 40.084 39.000 -0.004 0.000 1.120 153 F HN 0.195 nan 8.300 nan 0.000 0.493 154 T N -1.530 113.133 114.554 0.181 0.000 2.732 154 T HA 0.090 4.377 4.350 -0.106 0.000 0.287 154 T C 0.958 175.747 174.700 0.148 0.000 0.993 154 T CA -0.706 61.465 62.100 0.119 0.000 0.966 154 T CB 0.789 69.701 68.868 0.072 0.000 1.047 154 T HN 0.493 nan 8.240 nan 0.000 0.527 155 D N 0.099 120.565 120.400 0.110 0.000 2.178 155 D HA -0.072 4.505 4.640 -0.106 0.000 0.202 155 D C 2.017 178.423 176.300 0.176 0.000 0.974 155 D CA 0.834 54.912 54.000 0.130 0.000 0.841 155 D CB -0.023 40.786 40.800 0.016 0.000 0.953 155 D HN 0.578 nan 8.370 nan 0.000 0.478 156 E N 0.893 121.162 120.200 0.115 0.000 2.204 156 E HA -0.109 4.177 4.350 -0.106 0.000 0.194 156 E C 1.382 178.075 176.600 0.154 0.000 0.989 156 E CA 0.658 57.115 56.400 0.094 0.000 0.824 156 E CB -0.073 29.626 29.700 -0.002 0.000 0.756 156 E HN 0.347 nan 8.360 nan 0.000 0.477 157 D N 0.744 121.245 120.400 0.168 0.000 2.149 157 D HA -0.038 4.539 4.640 -0.106 0.000 0.201 157 D C 1.864 178.264 176.300 0.167 0.000 0.972 157 D CA 1.267 55.386 54.000 0.199 0.000 0.835 157 D CB -0.263 40.721 40.800 0.307 0.000 0.966 157 D HN 0.128 nan 8.370 nan 0.000 0.476 158 A N 1.117 124.028 122.820 0.151 0.000 1.902 158 A HA -0.190 4.067 4.320 -0.106 0.000 0.217 158 A C 2.087 179.852 177.584 0.302 0.000 1.181 158 A CA 1.199 53.268 52.037 0.053 0.000 0.623 158 A CB -1.175 17.860 19.000 0.057 0.000 0.818 158 A HN 0.394 nan 8.150 nan 0.000 0.443 159 W N 1.617 123.028 121.300 0.185 0.000 2.321 159 W HA -0.198 4.399 4.660 -0.105 0.000 0.306 159 W C 1.119 177.716 176.519 0.130 0.000 1.217 159 W CA 2.252 59.702 57.345 0.176 0.000 1.257 159 W CB -0.594 28.938 29.460 0.120 0.000 1.145 159 W HN 0.452 nan 8.180 nan 0.000 0.509 160 D N 0.273 120.932 120.400 0.432 0.000 2.117 160 D HA -0.195 4.382 4.640 -0.106 0.000 0.197 160 D C 2.210 178.622 176.300 0.188 0.000 0.987 160 D CA 1.992 56.167 54.000 0.293 0.000 0.829 160 D CB -0.708 40.201 40.800 0.182 0.000 0.961 160 D HN 0.261 nan 8.370 nan 0.000 0.460 161 I N 1.217 121.873 120.570 0.143 0.000 2.142 161 I HA -0.247 3.860 4.170 -0.106 0.000 0.240 161 I C 2.547 178.714 176.117 0.084 0.000 1.078 161 I CA 1.146 62.492 61.300 0.076 0.000 1.343 161 I CB -0.334 37.690 38.000 0.040 0.000 1.046 161 I HN -0.078 nan 8.210 nan 0.000 0.405 162 A N 0.795 123.709 122.820 0.156 0.000 1.908 162 A HA -0.197 4.060 4.320 -0.106 0.000 0.218 162 A C 2.523 180.089 177.584 -0.031 0.000 1.181 162 A CA 2.062 54.104 52.037 0.008 0.000 0.627 162 A CB -0.879 18.139 19.000 0.030 0.000 0.818 162 A HN 0.462 nan 8.150 nan 0.000 0.445 163 A N -0.176 122.664 122.820 0.034 0.000 1.898 163 A HA -0.037 4.219 4.320 -0.106 0.000 0.216 163 A C 2.134 179.777 177.584 0.099 0.000 1.181 163 A CA 1.422 53.500 52.037 0.069 0.000 0.620 163 A CB -0.563 18.586 19.000 0.249 0.000 0.819 163 A HN 0.493 nan 8.150 nan 0.000 0.442 164 I N -0.533 120.114 120.570 0.128 0.000 2.142 164 I HA -0.252 3.854 4.170 -0.106 0.000 0.240 164 I C 2.666 178.911 176.117 0.213 0.000 1.078 164 I CA 1.840 63.265 61.300 0.207 0.000 1.343 164 I CB -0.821 37.239 38.000 0.101 0.000 1.046 164 I HN 0.258 nan 8.210 nan 0.000 0.405 165 T N 0.914 115.495 114.554 0.044 0.000 2.624 165 T HA -0.287 4.000 4.350 -0.106 0.000 0.268 165 T C 2.008 176.697 174.700 -0.018 0.000 1.041 165 T CA 1.858 63.942 62.100 -0.026 0.000 1.159 165 T CB -0.463 68.330 68.868 -0.125 0.000 0.863 165 T HN 0.522 nan 8.240 nan 0.000 0.434 166 A N 0.992 123.784 122.820 -0.046 0.000 1.865 166 A HA -0.071 4.186 4.320 -0.106 0.000 0.217 166 A C 2.064 179.571 177.584 -0.129 0.000 1.191 166 A CA 1.822 53.805 52.037 -0.090 0.000 0.623 166 A CB -1.074 17.866 19.000 -0.100 0.000 0.826 166 A HN 0.521 nan 8.150 nan 0.000 0.444 167 F N -0.588 119.195 119.950 -0.279 0.000 2.171 167 F HA -0.111 4.371 4.527 -0.075 0.000 0.300 167 F C 1.689 177.217 175.800 -0.453 0.000 1.090 167 F CA 1.503 59.202 58.000 -0.501 0.000 1.293 167 F CB -0.303 38.266 39.000 -0.719 0.000 1.013 167 F HN 0.176 nan 8.300 nan 0.000 0.486 168 F N 0.297 120.054 119.950 -0.320 0.000 2.661 168 F HA 0.148 4.620 4.527 -0.093 0.000 0.298 168 F C 2.496 178.115 175.800 -0.301 0.000 1.137 168 F CA 0.860 58.646 58.000 -0.356 0.000 1.454 168 F CB -0.892 37.988 39.000 -0.199 0.000 1.103 168 F HN 0.051 nan 8.300 nan 0.000 0.577 169 G N -0.038 108.683 108.800 -0.130 0.000 2.448 169 G HA2 -0.174 3.723 3.960 -0.106 0.000 0.218 169 G HA3 -0.174 3.723 3.960 -0.106 0.000 0.218 169 G C 1.687 176.475 174.900 -0.186 0.000 1.135 169 G CA 0.462 45.483 45.100 -0.130 0.000 0.784 169 G HN 0.408 nan 8.290 nan 0.000 0.543 170 L N 0.295 121.332 121.223 -0.311 0.000 2.044 170 L HA 0.031 4.307 4.340 -0.106 0.000 0.205 170 L C 2.877 179.572 176.870 -0.292 0.000 1.075 170 L CA 1.789 56.441 54.840 -0.313 0.000 0.747 170 L CB -0.377 41.425 42.059 -0.427 0.000 0.903 170 L HN 0.279 nan 8.230 nan 0.000 0.435 171 S N 0.207 115.645 115.700 -0.436 0.000 2.359 171 S HA -0.274 4.133 4.470 -0.106 0.000 0.224 171 S C 1.649 176.194 174.600 -0.092 0.000 1.035 171 S CA 2.220 60.276 58.200 -0.240 0.000 1.018 171 S CB -0.679 62.285 63.200 -0.392 0.000 0.876 171 S HN 0.655 nan 8.310 nan 0.000 0.448 172 N N 0.407 119.069 118.700 -0.064 0.000 2.104 172 N HA -0.075 4.601 4.740 -0.106 0.000 0.190 172 N C 1.052 176.542 175.510 -0.033 0.000 1.024 172 N CA 0.772 53.814 53.050 -0.013 0.000 0.853 172 N CB -0.089 38.384 38.487 -0.023 0.000 1.008 172 N HN 0.371 nan 8.380 nan 0.000 0.424 176 N N 1.074 119.779 118.700 0.007 0.000 2.084 176 N HA -0.093 4.583 4.740 -0.106 0.000 0.190 176 N C 1.605 177.126 175.510 0.019 0.000 1.030 176 N CA 2.226 55.288 53.050 0.019 0.000 0.849 176 N CB -0.582 37.912 38.487 0.011 0.000 1.012 176 N HN 0.559 nan 8.380 nan 0.000 0.423 177 T N 1.764 116.322 114.554 0.008 0.000 2.788 177 T HA -0.058 4.228 4.350 -0.106 0.000 0.268 177 T C 1.846 176.591 174.700 0.074 0.000 1.044 177 T CA 1.074 63.191 62.100 0.030 0.000 1.139 177 T CB -0.142 68.733 68.868 0.011 0.000 0.867 177 T HN 0.481 nan 8.240 nan 0.000 0.454 178 I N -1.373 119.235 120.570 0.062 0.000 3.860 178 I HA 0.475 4.582 4.170 -0.106 0.000 0.319 178 I C 1.043 177.213 176.117 0.089 0.000 1.279 178 I CA -0.065 61.316 61.300 0.134 0.000 1.220 178 I CB -0.653 37.409 38.000 0.104 0.000 1.027 178 I HN 0.277 nan 8.210 nan 0.000 0.428 182 P HA 0.208 nan 4.420 nan 0.000 0.278 182 P C -1.147 176.486 177.300 0.554 0.000 1.238 182 P CA -0.462 63.003 63.100 0.608 0.000 0.794 182 P CB 0.629 32.467 31.700 0.231 0.000 0.955 183 N N 1.341 120.390 118.700 0.581 0.000 2.518 183 N HA 0.028 4.704 4.740 -0.106 0.000 0.266 183 N C 0.861 176.497 175.510 0.210 0.000 1.196 183 N CA 0.048 53.248 53.050 0.249 0.000 0.947 183 N CB -0.152 38.309 38.487 -0.043 0.000 1.098 183 N HN 0.307 nan 8.380 nan 0.000 0.450 184 D N 1.330 121.776 120.400 0.075 0.000 2.203 184 D HA -0.180 4.397 4.640 -0.106 0.000 0.199 184 D C 1.054 177.396 176.300 0.071 0.000 0.997 184 D CA 1.416 55.457 54.000 0.070 0.000 0.863 184 D CB 0.056 40.806 40.800 -0.083 0.000 0.928 184 D HN 0.602 nan 8.370 nan 0.000 0.458 185 E N -0.609 119.424 120.200 -0.279 0.000 2.110 185 E HA -0.114 4.173 4.350 -0.106 0.000 0.193 185 E C 1.763 178.272 176.600 -0.152 0.000 0.988 185 E CA 0.534 56.700 56.400 -0.391 0.000 0.804 185 E CB -0.282 28.814 29.700 -1.007 0.000 0.745 185 E HN 0.321 nan 8.360 nan 0.000 0.458 186 F N -0.610 119.325 119.950 -0.025 0.000 2.269 186 F HA -0.071 4.393 4.527 -0.105 0.000 0.301 186 F C 1.529 177.264 175.800 -0.108 0.000 1.082 186 F CA 0.649 58.611 58.000 -0.063 0.000 1.360 186 F CB -0.443 38.451 39.000 -0.176 0.000 1.041 186 F HN 0.019 nan 8.300 nan 0.000 0.512 187 F N -0.727 119.296 119.950 0.121 0.000 2.186 187 F HA -0.072 4.392 4.527 -0.106 0.000 0.299 187 F C 1.356 177.177 175.800 0.035 0.000 1.090 187 F CA 0.530 58.564 58.000 0.057 0.000 1.307 187 F CB -0.534 38.480 39.000 0.023 0.000 1.019 187 F HN -0.122 nan 8.300 nan 0.000 0.489 191 R N -0.204 120.319 120.500 0.039 0.000 2.173 191 R HA 0.239 4.516 4.340 -0.106 0.000 0.208 191 R C 0.230 176.549 176.300 0.032 0.000 1.035 191 R CA 0.633 56.754 56.100 0.035 0.000 1.004 191 R CB 0.491 30.814 30.300 0.040 0.000 0.917 191 R HN 0.200 nan 8.270 nan 0.000 0.462 192 V N 4.298 124.231 119.914 0.032 0.000 2.334 192 V HA 0.230 4.287 4.120 -0.106 0.000 0.281 192 V C -1.920 174.192 176.094 0.031 0.000 1.016 192 V CA -1.841 60.476 62.300 0.029 0.000 0.832 192 V CB 1.410 33.248 31.823 0.026 0.000 0.999 192 V HN 0.132 nan 8.190 nan 0.000 0.439 193 P HA 0.368 nan 4.420 nan 0.000 0.272 193 P C -0.031 177.288 177.300 0.032 0.000 1.230 193 P CA -0.198 62.922 63.100 0.033 0.000 0.788 193 P CB 0.594 32.313 31.700 0.032 0.000 0.949 194 K N 0.000 120.421 120.400 0.035 0.000 2.780 194 K HA 0.000 4.257 4.320 -0.106 0.000 0.191 194 K CA 0.000 56.307 56.287 0.033 0.000 0.838 194 K CB 0.000 32.523 32.500 0.037 0.000 1.064 194 K HN 0.000 nan 8.250 nan 0.000 0.543