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 1nk1_1_A DATA FIRST_RESID 38 DATA SEQUENCE TIHEFKKSAK TTLIKIDPAL KIKTKKVNTA DQcANRcTRN KGLPFTcKAF DATA SEQUENCE VFDKARKQcL WFPFNSMSSG VKKEFGHEFD LYENKDYIRN cIIGKGRSYK DATA SEQUENCE GTVSITKSGI KcQPWSSMIP HEHSFLPSSY RGKDLQENYc RNPRGEEGGP DATA SEQUENCE WcFTSNPEVR YEVcDIPQcS EV 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 38 T HA 0.000 nan 4.350 nan 0.000 0.228 38 T C 0.000 174.838 174.700 0.230 0.000 1.109 38 T CA 0.000 62.261 62.100 0.268 0.000 1.349 38 T CB 0.000 68.970 68.868 0.171 0.000 0.612 39 I N 2.667 123.359 120.570 0.203 0.000 2.916 39 I HA 0.006 4.176 4.170 0.001 0.000 0.267 39 I C 2.112 178.390 176.117 0.268 0.000 1.263 39 I CA 1.630 62.973 61.300 0.072 0.000 1.471 39 I CB -0.018 37.912 38.000 -0.116 0.000 1.089 39 I HN 0.522 nan 8.210 nan 0.000 0.468 40 H N 0.664 119.875 119.070 0.235 0.000 2.546 40 H HA -0.013 4.544 4.556 0.001 0.000 0.277 40 H C 0.689 176.170 175.328 0.255 0.000 1.004 40 H CA 0.781 56.963 56.048 0.224 0.000 1.231 40 H CB -0.694 29.155 29.762 0.144 0.000 1.382 40 H HN 0.581 nan 8.280 nan 0.000 0.580 41 E N 0.406 120.478 120.200 -0.213 0.000 2.368 41 E HA 0.180 4.530 4.350 0.001 0.000 0.188 41 E C -0.905 175.572 176.600 -0.206 0.000 1.061 41 E CA -0.308 55.958 56.400 -0.224 0.000 0.933 41 E CB -0.113 29.361 29.700 -0.377 0.000 1.091 41 E HN 0.222 nan 8.360 nan 0.000 0.458 42 F N 1.451 121.429 119.950 0.046 0.000 2.551 42 F HA 0.306 4.833 4.527 0.001 0.000 0.316 42 F C 0.308 176.196 175.800 0.147 0.000 1.089 42 F CA -1.301 56.773 58.000 0.122 0.000 0.915 42 F CB 1.799 40.911 39.000 0.187 0.000 1.186 42 F HN -0.249 nan 8.300 nan 0.000 0.456 43 K N 3.713 124.263 120.400 0.250 0.000 2.297 43 K HA 0.197 4.517 4.320 0.001 0.000 0.286 43 K C -0.464 176.241 176.600 0.176 0.000 1.053 43 K CA -0.403 55.991 56.287 0.179 0.000 0.940 43 K CB 0.716 33.250 32.500 0.056 0.000 1.019 43 K HN 0.699 nan 8.250 nan 0.000 0.475 44 K N 2.465 122.953 120.400 0.147 0.000 2.156 44 K HA 0.196 4.516 4.320 0.001 0.000 0.271 44 K C -1.231 175.324 176.600 -0.075 0.000 0.995 44 K CA -0.499 55.748 56.287 -0.066 0.000 0.890 44 K CB 1.190 33.654 32.500 -0.061 0.000 1.073 44 K HN 0.493 nan 8.250 nan 0.000 0.454 45 S N 2.484 118.073 115.700 -0.185 0.000 2.542 45 S HA 0.308 4.779 4.470 0.001 0.000 0.245 45 S C -0.412 174.088 174.600 -0.167 0.000 1.325 45 S CA -0.800 57.331 58.200 -0.115 0.000 1.176 45 S CB 1.235 64.388 63.200 -0.078 0.000 1.045 45 S HN 0.788 nan 8.310 nan 0.000 0.481 46 A N 2.799 125.537 122.820 -0.138 0.000 2.577 46 A HA 0.271 4.591 4.320 0.001 0.000 0.233 46 A C 0.949 178.435 177.584 -0.163 0.000 1.076 46 A CA 0.073 52.027 52.037 -0.138 0.000 0.767 46 A CB -0.191 18.764 19.000 -0.076 0.000 1.017 46 A HN 0.852 nan 8.150 nan 0.000 0.511 47 K N -0.783 119.495 120.400 -0.202 0.000 3.012 47 K HA -0.184 4.136 4.320 0.001 0.000 0.259 47 K C -0.339 176.029 176.600 -0.387 0.000 0.989 47 K CA 1.374 57.435 56.287 -0.377 0.000 0.728 47 K CB -2.582 29.561 32.500 -0.594 0.000 1.260 47 K HN 0.739 nan 8.250 nan 0.000 0.480 48 T N -0.342 114.089 114.554 -0.204 0.000 2.909 48 T HA 0.497 4.848 4.350 0.001 0.000 0.299 48 T C -0.473 174.142 174.700 -0.142 0.000 1.073 48 T CA -0.503 61.494 62.100 -0.172 0.000 0.999 48 T CB 2.762 71.556 68.868 -0.123 0.000 1.098 48 T HN 0.203 nan 8.240 nan 0.000 0.477 49 T N 1.161 115.588 114.554 -0.211 0.000 2.812 49 T HA 0.784 5.134 4.350 0.001 0.000 0.294 49 T C -1.852 172.740 174.700 -0.180 0.000 1.159 49 T CA -0.653 61.310 62.100 -0.228 0.000 1.008 49 T CB 0.888 69.372 68.868 -0.639 0.000 1.289 49 T HN 0.445 nan 8.240 nan 0.000 0.514 50 L N 2.361 123.483 121.223 -0.169 0.000 2.386 50 L HA 0.657 4.997 4.340 0.001 0.000 0.271 50 L C -0.757 175.962 176.870 -0.251 0.000 0.993 50 L CA -0.986 53.714 54.840 -0.234 0.000 0.819 50 L CB 1.986 43.859 42.059 -0.310 0.000 1.294 50 L HN 0.516 nan 8.230 nan 0.000 0.414 51 I N 2.840 123.282 120.570 -0.214 0.000 2.382 51 I HA 0.299 4.469 4.170 0.001 0.000 0.286 51 I C 0.076 176.054 176.117 -0.232 0.000 1.002 51 I CA -0.836 60.358 61.300 -0.176 0.000 1.135 51 I CB 1.645 39.567 38.000 -0.130 0.000 1.288 51 I HN 0.670 nan 8.210 nan 0.000 0.448 52 K N 6.046 126.305 120.400 -0.236 0.000 2.187 52 K HA 0.315 4.636 4.320 0.001 0.000 0.247 52 K C 0.572 177.047 176.600 -0.208 0.000 1.019 52 K CA -0.248 55.841 56.287 -0.329 0.000 0.893 52 K CB 1.382 33.724 32.500 -0.262 0.000 1.025 52 K HN 0.809 nan 8.250 nan 0.000 0.500 53 I N -3.858 116.586 120.570 -0.209 0.000 4.398 53 I HA 0.186 4.357 4.170 0.001 0.000 0.310 53 I C -0.120 175.930 176.117 -0.112 0.000 1.232 53 I CA -0.321 60.897 61.300 -0.137 0.000 1.312 53 I CB 0.515 38.435 38.000 -0.133 0.000 1.347 53 I HN 0.526 nan 8.210 nan 0.000 0.454 54 D N 3.567 123.882 120.400 -0.142 0.000 2.390 54 D HA 0.166 4.807 4.640 0.001 0.000 0.249 54 D C -1.663 174.594 176.300 -0.072 0.000 1.144 54 D CA -1.724 52.214 54.000 -0.104 0.000 0.880 54 D CB 1.910 42.635 40.800 -0.126 0.000 1.182 54 D HN 0.109 nan 8.370 nan 0.000 0.451 55 P HA 0.077 nan 4.420 nan 0.000 0.222 55 P C 0.853 178.159 177.300 0.009 0.000 1.157 55 P CA 0.583 63.677 63.100 -0.010 0.000 0.816 55 P CB 0.197 31.895 31.700 -0.004 0.000 0.813 56 A N 0.943 123.765 122.820 0.003 0.000 1.828 56 A HA -0.095 4.226 4.320 0.001 0.000 0.215 56 A C 0.994 178.599 177.584 0.036 0.000 1.203 56 A CA 0.560 52.610 52.037 0.022 0.000 0.614 56 A CB -1.735 17.273 19.000 0.014 0.000 0.844 56 A HN 0.188 nan 8.150 nan 0.000 0.445 57 L N 1.083 122.315 121.223 0.014 0.000 3.009 57 L HA -0.108 4.232 4.340 0.001 0.000 0.302 57 L C 0.633 177.562 176.870 0.099 0.000 1.060 57 L CA 0.993 55.855 54.840 0.038 0.000 0.941 57 L CB -1.209 40.813 42.059 -0.062 0.000 1.406 57 L HN 0.589 nan 8.230 nan 0.000 0.473 58 K N 4.689 125.147 120.400 0.096 0.000 2.095 58 K HA 0.832 5.152 4.320 0.001 0.000 0.252 58 K C -0.486 176.174 176.600 0.100 0.000 0.977 58 K CA -0.843 55.524 56.287 0.133 0.000 0.900 58 K CB 1.505 34.114 32.500 0.181 0.000 1.060 58 K HN 0.442 nan 8.250 nan 0.000 0.449 59 I N -0.257 120.458 120.570 0.242 0.000 3.206 59 I HA 0.498 4.668 4.170 0.001 0.000 0.313 59 I C -1.129 175.240 176.117 0.420 0.000 1.103 59 I CA -1.222 60.268 61.300 0.317 0.000 0.985 59 I CB 2.394 40.612 38.000 0.363 0.000 1.240 59 I HN 0.682 nan 8.210 nan 0.000 0.464 60 K N 1.290 121.947 120.400 0.428 0.000 2.550 60 K HA 0.616 4.936 4.320 0.001 0.000 0.252 60 K C -1.302 175.514 176.600 0.360 0.000 0.943 60 K CA -0.334 56.176 56.287 0.372 0.000 0.806 60 K CB 1.822 34.530 32.500 0.347 0.000 1.289 60 K HN 0.802 nan 8.250 nan 0.000 0.435 61 T N 0.156 114.861 114.554 0.251 0.000 2.916 61 T HA 0.731 5.081 4.350 0.001 0.000 0.292 61 T C -1.127 173.683 174.700 0.184 0.000 1.064 61 T CA -0.909 61.271 62.100 0.132 0.000 1.011 61 T CB 1.752 70.650 68.868 0.051 0.000 1.152 61 T HN 0.624 nan 8.240 nan 0.000 0.510 62 K N 0.544 120.992 120.400 0.081 0.000 2.583 62 K HA 0.376 4.696 4.320 0.001 0.000 0.260 62 K C -1.183 175.443 176.600 0.045 0.000 0.931 62 K CA -0.835 55.528 56.287 0.127 0.000 0.849 62 K CB 2.068 34.758 32.500 0.316 0.000 1.347 62 K HN 0.879 nan 8.250 nan 0.000 0.425 63 K N 2.537 122.967 120.400 0.051 0.000 2.319 63 K HA 0.385 4.705 4.320 0.001 0.000 0.265 63 K C -1.102 175.535 176.600 0.062 0.000 1.000 63 K CA -0.377 55.935 56.287 0.042 0.000 0.943 63 K CB 0.967 33.488 32.500 0.035 0.000 0.950 63 K HN 0.347 nan 8.250 nan 0.000 0.485 64 V N 1.978 121.941 119.914 0.081 0.000 3.203 64 V HA 0.083 4.203 4.120 0.001 0.000 0.305 64 V C 0.003 176.145 176.094 0.080 0.000 1.361 64 V CA -0.810 61.529 62.300 0.065 0.000 1.066 64 V CB 1.955 33.796 31.823 0.029 0.000 1.085 64 V HN 1.043 nan 8.190 nan 0.000 0.456 65 N N 0.003 118.713 118.700 0.016 0.000 2.322 65 N HA 0.093 4.834 4.740 0.001 0.000 0.186 65 N C 0.414 175.918 175.510 -0.010 0.000 1.037 65 N CA 1.371 54.433 53.050 0.020 0.000 0.869 65 N CB 0.315 38.794 38.487 -0.014 0.000 1.036 65 N HN 0.907 nan 8.380 nan 0.000 0.439 66 T N -3.068 111.367 114.554 -0.198 0.000 2.930 66 T HA 0.710 5.061 4.350 0.001 0.000 0.290 66 T C 0.850 175.004 174.700 -0.911 0.000 1.052 66 T CA -0.393 61.453 62.100 -0.423 0.000 1.017 66 T CB 1.553 70.278 68.868 -0.238 0.000 1.137 66 T HN 0.139 nan 8.240 nan 0.000 0.511 67 A N 0.479 122.570 122.820 -1.216 0.000 1.969 67 A HA 0.013 4.333 4.320 0.001 0.000 0.218 67 A C 1.677 178.928 177.584 -0.554 0.000 1.169 67 A CA 1.598 52.974 52.037 -1.100 0.000 0.635 67 A CB -1.146 17.545 19.000 -0.516 0.000 0.810 67 A HN 0.918 nan 8.150 nan 0.000 0.445 68 D N -0.375 119.786 120.400 -0.398 0.000 2.149 68 D HA -0.186 4.455 4.640 0.001 0.000 0.198 68 D C 2.059 178.183 176.300 -0.293 0.000 0.990 68 D CA 1.523 55.355 54.000 -0.281 0.000 0.839 68 D CB -0.237 40.464 40.800 -0.166 0.000 0.948 68 D HN 0.582 nan 8.370 nan 0.000 0.460 69 Q N -0.515 119.110 119.800 -0.293 0.000 2.181 69 Q HA -0.164 4.176 4.340 0.001 0.000 0.205 69 Q C 2.010 177.880 176.000 -0.217 0.000 0.980 69 Q CA 1.201 56.877 55.803 -0.212 0.000 0.862 69 Q CB -0.091 28.546 28.738 -0.168 0.000 0.905 69 Q HN 0.421 nan 8.270 nan 0.000 0.429 70 c N -0.437 117.921 118.600 -0.403 0.000 2.457 70 c HA -0.004 4.566 4.570 0.001 0.000 0.278 70 c C 2.748 176.335 174.090 -0.838 0.000 1.309 70 c CA 0.360 56.353 56.329 -0.560 0.000 1.735 70 c CB -1.210 40.640 42.510 -1.100 0.000 1.992 70 c HN 0.610 nan 8.230 nan 0.000 0.493 71 A N 1.653 123.885 122.820 -0.980 0.000 1.851 71 A HA -0.246 4.074 4.320 0.001 0.000 0.216 71 A C 2.166 179.604 177.584 -0.242 0.000 1.195 71 A CA 2.112 53.713 52.037 -0.727 0.000 0.622 71 A CB -0.982 17.717 19.000 -0.502 0.000 0.831 71 A HN 0.677 nan 8.150 nan 0.000 0.444 72 N N -0.093 118.502 118.700 -0.174 0.000 2.036 72 N HA -0.255 4.485 4.740 0.001 0.000 0.195 72 N C 2.024 177.474 175.510 -0.100 0.000 1.037 72 N CA 2.076 55.078 53.050 -0.080 0.000 0.855 72 N CB -0.363 38.075 38.487 -0.083 0.000 1.033 72 N HN 0.546 nan 8.380 nan 0.000 0.423 73 R N 0.179 120.585 120.500 -0.157 0.000 2.105 73 R HA -0.114 4.226 4.340 0.001 0.000 0.239 73 R C 2.774 178.874 176.300 -0.333 0.000 1.135 73 R CA 1.686 57.616 56.100 -0.284 0.000 0.967 73 R CB -0.708 29.346 30.300 -0.411 0.000 0.861 73 R HN 0.429 nan 8.270 nan 0.000 0.442 74 c N -0.325 118.164 118.600 -0.185 0.000 2.496 74 c HA -0.076 4.494 4.570 0.001 0.000 0.281 74 c C 2.527 176.675 174.090 0.096 0.000 1.250 74 c CA 1.655 57.982 56.329 -0.004 0.000 1.717 74 c CB -0.972 41.699 42.510 0.269 0.000 2.082 74 c HN 0.604 nan 8.230 nan 0.000 0.472 75 T N 1.487 116.164 114.554 0.206 0.000 2.597 75 T HA -0.290 4.061 4.350 0.001 0.000 0.267 75 T C 1.856 176.586 174.700 0.050 0.000 1.053 75 T CA 2.447 64.649 62.100 0.171 0.000 1.165 75 T CB -0.557 68.416 68.868 0.176 0.000 0.863 75 T HN 0.783 nan 8.240 nan 0.000 0.427 76 R N 1.602 122.097 120.500 -0.008 0.000 2.096 76 R HA -0.100 4.241 4.340 0.001 0.000 0.235 76 R C 0.978 177.230 176.300 -0.080 0.000 1.127 76 R CA 1.651 57.722 56.100 -0.049 0.000 0.968 76 R CB -0.560 29.693 30.300 -0.078 0.000 0.861 76 R HN 0.277 nan 8.270 nan 0.000 0.440 77 N N 0.494 119.117 118.700 -0.128 0.000 2.738 77 N HA -0.165 4.575 4.740 0.001 0.000 0.249 77 N C -0.150 175.237 175.510 -0.205 0.000 1.047 77 N CA 1.027 53.972 53.050 -0.175 0.000 0.707 77 N CB -0.478 37.961 38.487 -0.079 0.000 0.937 77 N HN 0.610 nan 8.380 nan 0.000 0.545 78 K N -0.743 119.510 120.400 -0.244 0.000 2.128 78 K HA 0.112 4.432 4.320 0.001 0.000 0.202 78 K C 1.499 177.952 176.600 -0.245 0.000 1.050 78 K CA 1.245 57.407 56.287 -0.210 0.000 0.966 78 K CB 0.100 32.495 32.500 -0.175 0.000 0.759 78 K HN 0.248 nan 8.250 nan 0.000 0.454 79 G N 1.020 109.617 108.800 -0.338 0.000 4.291 79 G HA2 0.337 4.298 3.960 0.001 0.000 0.304 79 G HA3 0.337 4.298 3.960 0.001 0.000 0.304 79 G C -0.720 173.927 174.900 -0.422 0.000 1.264 79 G CA -0.317 44.587 45.100 -0.327 0.000 1.039 79 G HN -0.024 nan 8.290 nan 0.000 0.578 80 L N 0.507 121.444 121.223 -0.478 0.000 2.385 80 L HA 0.408 4.748 4.340 0.001 0.000 0.273 80 L C -1.958 174.554 176.870 -0.598 0.000 0.990 80 L CA -2.157 52.259 54.840 -0.707 0.000 0.821 80 L CB 3.090 44.546 42.059 -1.005 0.000 1.279 80 L HN -0.117 nan 8.230 nan 0.000 0.412 81 P HA 0.127 nan 4.420 nan 0.000 0.258 81 P C -0.925 176.356 177.300 -0.032 0.000 1.559 81 P CA 0.265 63.241 63.100 -0.208 0.000 0.855 81 P CB -0.443 31.224 31.700 -0.055 0.000 1.594 82 F N -4.702 115.238 119.950 -0.016 0.000 3.122 82 F HA 0.506 5.034 4.527 0.001 0.000 0.325 82 F C -0.978 174.811 175.800 -0.019 0.000 1.162 82 F CA -1.404 56.595 58.000 -0.001 0.000 0.876 82 F CB -0.119 38.894 39.000 0.022 0.000 1.429 82 F HN -0.496 nan 8.300 nan 0.000 0.484 83 T N 1.213 116.010 114.554 0.406 0.000 2.728 83 T HA 0.305 4.655 4.350 0.001 0.000 0.296 83 T C -0.482 174.361 174.700 0.239 0.000 0.940 83 T CA -0.280 61.949 62.100 0.214 0.000 1.013 83 T CB 0.452 69.382 68.868 0.103 0.000 0.912 83 T HN 0.861 nan 8.240 nan 0.000 0.484 84 c N 5.172 123.906 118.600 0.224 0.000 2.624 84 c HA 0.223 4.794 4.570 0.001 0.000 0.397 84 c C 1.489 175.595 174.090 0.028 0.000 1.331 84 c CA -0.201 56.276 56.329 0.245 0.000 1.716 84 c CB -1.148 41.510 42.510 0.247 0.000 2.452 84 c HN 0.922 nan 8.230 nan 0.000 0.586 85 K N 3.722 124.078 120.400 -0.074 0.000 2.399 85 K HA 0.420 4.741 4.320 0.001 0.000 0.196 85 K C 0.326 176.995 176.600 0.114 0.000 1.103 85 K CA 0.291 56.439 56.287 -0.232 0.000 0.986 85 K CB 0.530 32.755 32.500 -0.458 0.000 0.952 85 K HN 0.689 nan 8.250 nan 0.000 0.541 86 A N 1.334 124.286 122.820 0.220 0.000 2.564 86 A HA 0.688 5.008 4.320 0.001 0.000 0.291 86 A C -1.894 175.938 177.584 0.413 0.000 1.102 86 A CA -0.869 51.376 52.037 0.346 0.000 0.660 86 A CB 0.895 20.041 19.000 0.243 0.000 1.283 86 A HN 0.198 nan 8.150 nan 0.000 0.430 87 F N -1.538 118.524 119.950 0.187 0.000 2.688 87 F HA 0.711 5.239 4.527 0.001 0.000 0.308 87 F C -1.660 174.166 175.800 0.043 0.000 1.117 87 F CA -1.000 56.933 58.000 -0.112 0.000 0.976 87 F CB 0.808 39.685 39.000 -0.203 0.000 1.291 87 F HN 0.472 nan 8.300 nan 0.000 0.439 88 V N 3.076 123.024 119.914 0.056 0.000 2.581 88 V HA 0.508 4.629 4.120 0.001 0.000 0.303 88 V C -1.235 175.028 176.094 0.282 0.000 1.041 88 V CA -0.654 61.744 62.300 0.163 0.000 0.907 88 V CB 1.832 33.812 31.823 0.263 0.000 0.994 88 V HN 0.733 nan 8.190 nan 0.000 0.442 89 F N 3.553 123.602 119.950 0.165 0.000 2.403 89 F HA 0.461 4.989 4.527 0.000 0.000 0.355 89 F C 0.114 175.916 175.800 0.003 0.000 1.119 89 F CA -1.460 56.608 58.000 0.112 0.000 1.007 89 F CB 1.105 40.238 39.000 0.222 0.000 1.194 89 F HN 0.554 nan 8.300 nan 0.000 0.443 90 D N 6.306 126.312 120.400 -0.656 0.000 2.498 90 D HA 0.055 4.696 4.640 0.001 0.000 0.229 90 D C 1.100 176.706 176.300 -1.155 0.000 1.188 90 D CA 0.275 53.772 54.000 -0.838 0.000 1.028 90 D CB 0.515 41.000 40.800 -0.526 0.000 1.087 90 D HN 0.687 nan 8.370 nan 0.000 0.510 91 K N 1.619 121.342 120.400 -1.128 0.000 2.173 91 K HA -0.240 4.080 4.320 0.001 0.000 0.207 91 K C 1.740 178.058 176.600 -0.471 0.000 1.046 91 K CA 1.418 57.236 56.287 -0.783 0.000 0.929 91 K CB 0.079 32.363 32.500 -0.360 0.000 0.720 91 K HN 0.399 nan 8.250 nan 0.000 0.453 92 A N 1.727 124.262 122.820 -0.476 0.000 1.824 92 A HA -0.149 4.172 4.320 0.001 0.000 0.215 92 A C 1.735 179.172 177.584 -0.244 0.000 1.209 92 A CA 1.260 53.114 52.037 -0.306 0.000 0.614 92 A CB -0.413 18.393 19.000 -0.323 0.000 0.852 92 A HN 0.241 nan 8.150 nan 0.000 0.447 93 R N 0.146 120.479 120.500 -0.278 0.000 2.404 93 R HA 0.112 4.452 4.340 0.001 0.000 0.236 93 R C -0.378 175.819 176.300 -0.171 0.000 1.044 93 R CA 0.005 55.998 56.100 -0.180 0.000 1.133 93 R CB -0.158 30.053 30.300 -0.147 0.000 1.142 93 R HN 0.382 nan 8.270 nan 0.000 0.512 94 K N 1.661 121.917 120.400 -0.240 0.000 3.491 94 K HA -0.276 4.045 4.320 0.001 0.000 0.271 94 K C -0.199 176.447 176.600 0.077 0.000 0.852 94 K CA 0.985 57.224 56.287 -0.081 0.000 0.651 94 K CB -0.925 31.649 32.500 0.123 0.000 1.568 94 K HN 0.493 nan 8.250 nan 0.000 0.452 95 Q N -0.519 119.205 119.800 -0.126 0.000 2.297 95 Q HA 0.392 4.733 4.340 0.001 0.000 0.268 95 Q C -0.904 175.108 176.000 0.021 0.000 1.045 95 Q CA -0.800 54.987 55.803 -0.027 0.000 0.861 95 Q CB 1.941 30.627 28.738 -0.087 0.000 1.344 95 Q HN 0.401 nan 8.270 nan 0.000 0.452 96 c N 2.697 121.193 118.600 -0.173 0.000 2.379 96 c HA 0.570 5.140 4.570 0.001 0.000 0.323 96 c C -0.614 173.045 174.090 -0.719 0.000 1.262 96 c CA -0.718 55.286 56.329 -0.541 0.000 1.581 96 c CB -0.042 41.725 42.510 -1.238 0.000 2.221 96 c HN 0.608 nan 8.230 nan 0.000 0.497 97 L N 3.061 123.899 121.223 -0.642 0.000 2.353 97 L HA 0.421 4.761 4.340 0.001 0.000 0.270 97 L C -0.678 175.610 176.870 -0.971 0.000 1.003 97 L CA -0.311 54.141 54.840 -0.647 0.000 0.862 97 L CB 0.537 42.338 42.059 -0.430 0.000 1.221 97 L HN 0.612 nan 8.230 nan 0.000 0.430 98 W N 3.096 124.155 121.300 -0.402 0.000 2.338 98 W HA 0.431 5.091 4.660 0.000 0.000 0.307 98 W C -0.685 175.634 176.519 -0.334 0.000 1.167 98 W CA -0.441 56.755 57.345 -0.248 0.000 1.208 98 W CB 1.196 30.670 29.460 0.023 0.000 1.228 98 W HN 0.249 nan 8.180 nan 0.000 0.499 99 F N 3.522 123.482 119.950 0.018 0.000 2.495 99 F HA 0.311 4.838 4.527 0.001 0.000 0.327 99 F C -1.469 173.859 175.800 -0.787 0.000 1.103 99 F CA -3.331 54.246 58.000 -0.705 0.000 0.949 99 F CB 0.961 39.161 39.000 -1.333 0.000 1.142 99 F HN 0.051 nan 8.300 nan 0.000 0.457 100 P HA 0.104 nan 4.420 nan 0.000 0.253 100 P C -1.040 176.126 177.300 -0.225 0.000 1.508 100 P CA 0.375 63.135 63.100 -0.566 0.000 0.883 100 P CB -0.439 30.822 31.700 -0.731 0.000 1.519 101 F N -2.065 117.838 119.950 -0.078 0.000 2.741 101 F HA 0.629 5.156 4.527 0.001 0.000 0.313 101 F C -0.907 174.880 175.800 -0.021 0.000 1.153 101 F CA -1.680 56.274 58.000 -0.077 0.000 0.931 101 F CB 0.222 39.155 39.000 -0.112 0.000 1.335 101 F HN -0.261 nan 8.300 nan 0.000 0.460 102 N N -1.138 117.727 118.700 0.276 0.000 2.890 102 N HA 0.386 5.127 4.740 0.001 0.000 0.317 102 N C 0.341 175.950 175.510 0.166 0.000 1.355 102 N CA -0.329 52.835 53.050 0.190 0.000 0.803 102 N CB 0.614 39.174 38.487 0.122 0.000 1.465 102 N HN 0.751 nan 8.380 nan 0.000 0.591 103 S N -1.339 114.409 115.700 0.081 0.000 2.537 103 S HA -0.099 4.371 4.470 0.001 0.000 0.240 103 S C 0.724 175.323 174.600 -0.001 0.000 0.981 103 S CA 0.743 58.955 58.200 0.020 0.000 0.948 103 S CB -0.776 62.424 63.200 0.001 0.000 0.759 103 S HN 0.577 nan 8.310 nan 0.000 0.531 104 M N 1.182 120.793 119.600 0.018 0.000 2.589 104 M HA 0.382 4.863 4.480 0.001 0.000 0.344 104 M C -0.130 176.173 176.300 0.006 0.000 1.168 104 M CA -0.074 55.227 55.300 0.002 0.000 0.956 104 M CB 1.155 33.758 32.600 0.006 0.000 1.370 104 M HN -0.027 nan 8.290 nan 0.000 0.518 105 S N 0.968 116.670 115.700 0.004 0.000 2.585 105 S HA 0.458 4.928 4.470 0.001 0.000 0.277 105 S C 0.337 174.884 174.600 -0.089 0.000 1.241 105 S CA -0.799 57.392 58.200 -0.015 0.000 1.041 105 S CB 1.092 64.306 63.200 0.024 0.000 0.987 105 S HN 0.506 nan 8.310 nan 0.000 0.512 106 S N 1.657 117.308 115.700 -0.082 0.000 2.528 106 S HA 0.532 5.002 4.470 0.001 0.000 0.277 106 S C 0.888 175.397 174.600 -0.152 0.000 1.297 106 S CA 0.097 58.238 58.200 -0.097 0.000 1.052 106 S CB 0.328 63.491 63.200 -0.062 0.000 0.917 106 S HN 1.579 nan 8.310 nan 0.000 0.492 107 G N 1.025 109.731 108.800 -0.157 0.000 2.207 107 G HA2 -0.025 3.936 3.960 0.001 0.000 0.216 107 G HA3 -0.025 3.936 3.960 0.001 0.000 0.216 107 G C -0.150 174.583 174.900 -0.280 0.000 1.053 107 G CA 0.006 44.995 45.100 -0.185 0.000 0.764 107 G HN 2.261 nan 8.290 nan 0.000 0.495 108 V N -3.035 116.709 119.914 -0.283 0.000 2.789 108 V HA 0.852 4.973 4.120 0.001 0.000 0.300 108 V C -0.525 175.432 176.094 -0.228 0.000 1.184 108 V CA -1.105 60.979 62.300 -0.360 0.000 0.930 108 V CB 1.530 32.964 31.823 -0.648 0.000 1.041 108 V HN 0.503 nan 8.190 nan 0.000 0.430 109 K N 4.401 124.686 120.400 -0.192 0.000 2.208 109 K HA 0.682 5.003 4.320 0.001 0.000 0.247 109 K C -0.738 175.784 176.600 -0.131 0.000 0.953 109 K CA -1.051 55.156 56.287 -0.132 0.000 0.837 109 K CB 2.628 35.066 32.500 -0.104 0.000 1.131 109 K HN 0.907 nan 8.250 nan 0.000 0.431 110 K N 0.787 121.128 120.400 -0.098 0.000 2.109 110 K HA 0.389 4.710 4.320 0.001 0.000 0.243 110 K C -0.620 175.930 176.600 -0.083 0.000 1.006 110 K CA -0.809 55.419 56.287 -0.098 0.000 0.917 110 K CB 1.301 33.759 32.500 -0.070 0.000 1.081 110 K HN 0.508 nan 8.250 nan 0.000 0.468 111 E N 0.446 120.586 120.200 -0.101 0.000 2.383 111 E HA 0.240 4.590 4.350 0.001 0.000 0.275 111 E C -1.603 174.981 176.600 -0.026 0.000 0.918 111 E CA -0.855 55.508 56.400 -0.062 0.000 0.764 111 E CB 1.802 31.429 29.700 -0.121 0.000 1.252 111 E HN 0.480 nan 8.360 nan 0.000 0.449 112 F N 0.679 120.589 119.950 -0.066 0.000 2.380 112 F HA 0.609 5.136 4.527 0.000 0.000 0.325 112 F C 0.179 175.989 175.800 0.017 0.000 1.136 112 F CA 0.231 58.223 58.000 -0.014 0.000 1.171 112 F CB 1.352 40.364 39.000 0.020 0.000 1.230 112 F HN 0.394 nan 8.300 nan 0.000 0.554 113 G N 4.128 112.618 108.800 -0.517 0.000 2.030 113 G HA2 0.112 4.072 3.960 0.001 0.000 0.309 113 G HA3 0.112 4.072 3.960 0.001 0.000 0.309 113 G C -0.271 174.425 174.900 -0.340 0.000 1.668 113 G CA -0.260 44.816 45.100 -0.041 0.000 0.926 113 G HN 0.967 nan 8.290 nan 0.000 0.652 114 H N 1.786 120.755 119.070 -0.167 0.000 2.422 114 H HA -0.114 4.443 4.556 0.001 0.000 0.298 114 H C 1.660 176.903 175.328 -0.142 0.000 1.098 114 H CA 1.529 57.490 56.048 -0.145 0.000 1.315 114 H CB 0.020 29.806 29.762 0.040 0.000 1.382 114 H HN 0.606 nan 8.280 nan 0.000 0.523 115 E N 1.038 120.837 120.200 -0.670 0.000 2.502 115 E HA -0.008 4.342 4.350 0.001 0.000 0.194 115 E C -0.415 175.754 176.600 -0.718 0.000 1.062 115 E CA -0.195 55.821 56.400 -0.640 0.000 0.867 115 E CB -0.303 28.911 29.700 -0.811 0.000 0.888 115 E HN 0.311 nan 8.360 nan 0.000 0.510 116 F N 1.172 120.928 119.950 -0.323 0.000 2.458 116 F HA 0.466 4.994 4.527 0.001 0.000 0.330 116 F C 0.115 175.778 175.800 -0.227 0.000 1.082 116 F CA -0.977 56.870 58.000 -0.255 0.000 0.995 116 F CB 1.419 40.284 39.000 -0.225 0.000 1.170 116 F HN -0.269 nan 8.300 nan 0.000 0.478 117 D N 1.960 122.367 120.400 0.012 0.000 2.896 117 D HA 0.416 5.056 4.640 0.001 0.000 0.241 117 D C -1.485 174.649 176.300 -0.276 0.000 1.188 117 D CA -0.374 53.520 54.000 -0.176 0.000 0.879 117 D CB 2.630 43.321 40.800 -0.182 0.000 1.553 117 D HN 0.324 nan 8.370 nan 0.000 0.515 118 L N 2.821 123.809 121.223 -0.392 0.000 2.317 118 L HA 0.562 4.903 4.340 0.001 0.000 0.281 118 L C -1.665 174.873 176.870 -0.554 0.000 1.024 118 L CA -0.366 54.282 54.840 -0.319 0.000 0.810 118 L CB 0.863 42.841 42.059 -0.135 0.000 1.240 118 L HN 0.286 nan 8.230 nan 0.000 0.427 119 Y N 2.491 122.578 120.300 -0.356 0.000 2.373 119 Y HA 0.544 5.095 4.550 0.000 0.000 0.336 119 Y C -0.515 175.357 175.900 -0.047 0.000 0.979 119 Y CA -0.700 57.205 58.100 -0.325 0.000 1.080 119 Y CB 1.793 39.686 38.460 -0.944 0.000 1.190 119 Y HN 0.531 nan 8.280 nan 0.000 0.446 120 E N 1.638 122.016 120.200 0.297 0.000 2.199 120 E HA 0.219 4.570 4.350 0.001 0.000 0.269 120 E C -0.953 175.796 176.600 0.249 0.000 0.899 120 E CA -1.163 55.397 56.400 0.267 0.000 0.772 120 E CB 1.270 31.051 29.700 0.135 0.000 1.155 120 E HN 0.375 nan 8.360 nan 0.000 0.408 121 N N 2.637 121.446 118.700 0.181 0.000 2.438 121 N HA -0.045 4.696 4.740 0.001 0.000 0.267 121 N C 0.360 175.861 175.510 -0.015 0.000 1.222 121 N CA 0.367 53.356 53.050 -0.101 0.000 0.930 121 N CB 0.589 39.142 38.487 0.110 0.000 1.083 121 N HN 0.453 nan 8.380 nan 0.000 0.476 122 K N 1.884 122.200 120.400 -0.140 0.000 2.360 122 K HA -0.137 4.183 4.320 0.001 0.000 0.201 122 K C 0.293 176.847 176.600 -0.077 0.000 1.046 122 K CA 0.844 57.079 56.287 -0.087 0.000 0.940 122 K CB 0.262 32.695 32.500 -0.112 0.000 0.748 122 K HN 0.494 nan 8.250 nan 0.000 0.465 123 D N -0.340 120.003 120.400 -0.095 0.000 2.378 123 D HA -0.085 4.556 4.640 0.001 0.000 0.227 123 D C 0.257 176.295 176.300 -0.436 0.000 1.012 123 D CA 0.971 54.828 54.000 -0.237 0.000 0.905 123 D CB 0.159 40.791 40.800 -0.279 0.000 0.895 123 D HN 0.306 nan 8.370 nan 0.000 0.532 124 Y N -0.717 119.566 120.300 -0.029 0.000 2.707 124 Y HA 0.349 4.899 4.550 0.000 0.000 0.249 124 Y C 0.317 176.213 175.900 -0.006 0.000 1.166 124 Y CA -0.335 57.764 58.100 -0.001 0.000 1.184 124 Y CB 0.909 39.386 38.460 0.027 0.000 1.240 124 Y HN -0.199 nan 8.280 nan 0.000 0.547 125 I N 1.441 122.044 120.570 0.056 0.000 2.405 125 I HA 0.247 4.417 4.170 0.001 0.000 0.280 125 I C 0.181 176.287 176.117 -0.018 0.000 1.027 125 I CA -0.884 60.419 61.300 0.006 0.000 1.161 125 I CB 1.032 39.004 38.000 -0.048 0.000 1.300 125 I HN 0.044 nan 8.210 nan 0.000 0.463 126 R N 4.833 125.335 120.500 0.004 0.000 2.669 126 R HA -0.182 4.158 4.340 0.001 0.000 0.283 126 R C 0.932 177.272 176.300 0.067 0.000 0.851 126 R CA 0.569 56.685 56.100 0.026 0.000 1.126 126 R CB 0.293 30.619 30.300 0.043 0.000 0.883 126 R HN 0.726 nan 8.270 nan 0.000 0.418 127 N N 3.430 122.168 118.700 0.064 0.000 2.230 127 N HA 0.012 4.753 4.740 0.001 0.000 0.202 127 N C -0.248 175.322 175.510 0.100 0.000 1.119 127 N CA -0.148 52.973 53.050 0.119 0.000 0.851 127 N CB -0.138 38.376 38.487 0.044 0.000 0.990 127 N HN 0.481 nan 8.380 nan 0.000 0.497 128 c N -1.083 117.559 118.600 0.070 0.000 2.719 128 c HA 0.768 5.338 4.570 0.001 0.000 0.327 128 c C 0.250 174.350 174.090 0.017 0.000 1.238 128 c CA -1.578 54.756 56.329 0.008 0.000 1.727 128 c CB 0.146 42.655 42.510 -0.003 0.000 2.256 128 c HN 0.146 nan 8.230 nan 0.000 0.489 129 I N 1.318 121.863 120.570 -0.041 0.000 2.488 129 I HA 0.475 4.646 4.170 0.001 0.000 0.299 129 I C -0.247 175.865 176.117 -0.008 0.000 0.984 129 I CA -0.507 60.772 61.300 -0.036 0.000 1.250 129 I CB 1.276 39.214 38.000 -0.103 0.000 1.389 129 I HN 0.568 nan 8.210 nan 0.000 0.488 130 I N 5.131 125.708 120.570 0.011 0.000 2.389 130 I HA 0.410 4.581 4.170 0.001 0.000 0.288 130 I C 0.858 176.980 176.117 0.009 0.000 0.999 130 I CA -0.091 61.216 61.300 0.011 0.000 1.129 130 I CB 1.225 39.237 38.000 0.020 0.000 1.288 130 I HN 0.883 nan 8.210 nan 0.000 0.444 131 G N 6.756 115.558 108.800 0.004 0.000 2.591 131 G HA2 -0.294 3.667 3.960 0.001 0.000 0.298 131 G HA3 -0.294 3.667 3.960 0.001 0.000 0.298 131 G C 0.737 175.640 174.900 0.004 0.000 1.195 131 G CA -0.061 45.042 45.100 0.005 0.000 0.989 131 G HN 0.556 nan 8.290 nan 0.000 0.551 132 K N 2.457 122.864 120.400 0.012 0.000 2.487 132 K HA 0.283 4.603 4.320 0.001 0.000 0.192 132 K C 1.777 178.389 176.600 0.020 0.000 1.027 132 K CA 1.278 57.575 56.287 0.018 0.000 1.054 132 K CB -0.432 32.084 32.500 0.026 0.000 0.824 132 K HN 2.092 nan 8.250 nan 0.000 0.510 133 G N 2.032 110.841 108.800 0.014 0.000 2.176 133 G HA2 -0.355 3.605 3.960 0.001 0.000 0.252 133 G HA3 -0.355 3.605 3.960 0.001 0.000 0.252 133 G C 0.840 175.771 174.900 0.051 0.000 1.024 133 G CA 0.684 45.796 45.100 0.019 0.000 0.755 133 G HN 0.421 nan 8.290 nan 0.000 0.507 134 R N 0.508 121.034 120.500 0.042 0.000 2.148 134 R HA 0.013 4.354 4.340 0.001 0.000 0.227 134 R C 2.475 178.796 176.300 0.036 0.000 1.103 134 R CA 1.907 58.029 56.100 0.035 0.000 0.983 134 R CB -0.132 30.184 30.300 0.027 0.000 0.874 134 R HN 0.739 nan 8.270 nan 0.000 0.451 135 S N -1.112 114.619 115.700 0.052 0.000 2.582 135 S HA 0.016 4.487 4.470 0.001 0.000 0.234 135 S C -0.181 174.456 174.600 0.061 0.000 0.961 135 S CA -0.854 57.369 58.200 0.038 0.000 0.953 135 S CB -0.108 63.107 63.200 0.026 0.000 0.800 135 S HN 0.322 nan 8.310 nan 0.000 0.471 136 Y N 3.434 123.705 120.300 -0.048 0.000 2.569 136 Y HA 0.301 4.851 4.550 -0.000 0.000 0.332 136 Y C 0.718 176.575 175.900 -0.071 0.000 1.120 136 Y CA -0.148 57.918 58.100 -0.058 0.000 1.416 136 Y CB 0.532 38.955 38.460 -0.062 0.000 1.210 136 Y HN 0.111 nan 8.280 nan 0.000 0.528 137 K N 4.968 124.914 120.400 -0.757 0.000 2.506 137 K HA 0.239 4.560 4.320 0.001 0.000 0.204 137 K C 0.757 176.798 176.600 -0.932 0.000 1.045 137 K CA 0.253 56.134 56.287 -0.678 0.000 1.074 137 K CB 0.758 33.074 32.500 -0.307 0.000 0.842 137 K HN 0.856 nan 8.250 nan 0.000 0.514 138 G N 1.421 109.172 108.800 -1.749 0.000 2.529 138 G HA2 0.018 3.979 3.960 0.001 0.000 0.277 138 G HA3 0.018 3.979 3.960 0.001 0.000 0.277 138 G C 0.715 175.184 174.900 -0.718 0.000 1.383 138 G CA 0.249 44.829 45.100 -0.867 0.000 1.050 138 G HN 0.169 nan 8.290 nan 0.000 0.526 139 T N -3.061 111.252 114.554 -0.402 0.000 3.182 139 T HA 0.313 4.664 4.350 0.001 0.000 0.277 139 T C 0.406 175.046 174.700 -0.100 0.000 1.013 139 T CA -0.364 61.392 62.100 -0.574 0.000 0.900 139 T CB 0.027 68.661 68.868 -0.391 0.000 1.098 139 T HN 0.248 nan 8.240 nan 0.000 0.543 140 V N 3.288 123.254 119.914 0.086 0.000 2.599 140 V HA 0.247 4.367 4.120 0.001 0.000 0.300 140 V C 0.736 176.942 176.094 0.188 0.000 1.034 140 V CA 0.367 62.746 62.300 0.132 0.000 1.115 140 V CB 0.604 32.493 31.823 0.111 0.000 0.934 140 V HN 0.730 nan 8.190 nan 0.000 0.485 141 S N 4.614 120.417 115.700 0.172 0.000 2.794 141 S HA 0.564 5.035 4.470 0.001 0.000 0.244 141 S C -0.448 174.215 174.600 0.105 0.000 1.045 141 S CA -0.357 57.953 58.200 0.183 0.000 1.114 141 S CB -0.141 63.197 63.200 0.230 0.000 1.085 141 S HN 0.503 nan 8.310 nan 0.000 0.488 142 I N 2.020 122.637 120.570 0.079 0.000 2.586 142 I HA 0.273 4.443 4.170 0.001 0.000 0.288 142 I C 0.402 176.540 176.117 0.036 0.000 1.147 142 I CA -0.674 60.657 61.300 0.052 0.000 1.047 142 I CB 2.303 40.332 38.000 0.048 0.000 1.244 142 I HN 0.269 nan 8.210 nan 0.000 0.429 143 T N 1.187 115.759 114.554 0.029 0.000 2.724 143 T HA 0.007 4.358 4.350 0.001 0.000 0.324 143 T C 1.131 175.835 174.700 0.007 0.000 1.071 143 T CA -0.058 62.053 62.100 0.019 0.000 1.061 143 T CB 1.111 69.986 68.868 0.011 0.000 0.990 143 T HN 0.808 nan 8.240 nan 0.000 0.543 144 K N 0.443 120.841 120.400 -0.004 0.000 2.152 144 K HA -0.136 4.184 4.320 0.001 0.000 0.206 144 K C 2.125 178.719 176.600 -0.010 0.000 1.048 144 K CA 1.635 57.916 56.287 -0.011 0.000 0.933 144 K CB -0.478 32.010 32.500 -0.020 0.000 0.721 144 K HN 0.745 nan 8.250 nan 0.000 0.447 145 S N -1.089 114.604 115.700 -0.011 0.000 2.603 145 S HA 0.171 4.642 4.470 0.001 0.000 0.220 145 S C 1.081 175.682 174.600 0.002 0.000 0.967 145 S CA 0.150 58.345 58.200 -0.008 0.000 0.920 145 S CB 0.354 63.546 63.200 -0.013 0.000 0.773 145 S HN 0.519 nan 8.310 nan 0.000 0.529 146 G N 1.958 110.762 108.800 0.007 0.000 2.132 146 G HA2 -0.202 3.759 3.960 0.001 0.000 0.228 146 G HA3 -0.202 3.759 3.960 0.001 0.000 0.228 146 G C -0.060 174.853 174.900 0.021 0.000 1.000 146 G CA 0.031 45.139 45.100 0.014 0.000 0.693 146 G HN 0.859 nan 8.290 nan 0.000 0.515 147 I N -1.994 118.589 120.570 0.022 0.000 2.437 147 I HA 0.677 4.848 4.170 0.001 0.000 0.298 147 I C 0.531 176.670 176.117 0.036 0.000 0.984 147 I CA -1.323 59.995 61.300 0.031 0.000 1.214 147 I CB 1.427 39.448 38.000 0.035 0.000 1.365 147 I HN 0.075 nan 8.210 nan 0.000 0.469 148 K N 4.002 124.426 120.400 0.039 0.000 2.469 148 K HA 0.136 4.457 4.320 0.001 0.000 0.274 148 K C -0.678 175.943 176.600 0.036 0.000 0.983 148 K CA -0.141 56.170 56.287 0.041 0.000 0.974 148 K CB 0.577 33.101 32.500 0.040 0.000 0.913 148 K HN 0.780 nan 8.250 nan 0.000 0.493 149 c N 2.736 121.351 118.600 0.025 0.000 2.443 149 c HA 0.182 4.753 4.570 0.001 0.000 0.369 149 c C -0.021 174.043 174.090 -0.042 0.000 1.241 149 c CA -0.445 55.872 56.329 -0.019 0.000 2.413 149 c CB 0.732 43.218 42.510 -0.041 0.000 2.451 149 c HN 0.858 nan 8.230 nan 0.000 0.595 150 Q N 3.009 122.760 119.800 -0.083 0.000 2.303 150 Q HA 0.360 4.701 4.340 0.001 0.000 0.257 150 Q C -2.507 173.357 176.000 -0.226 0.000 0.941 150 Q CA -1.105 54.661 55.803 -0.061 0.000 0.931 150 Q CB 0.935 29.712 28.738 0.064 0.000 1.215 150 Q HN 0.420 nan 8.270 nan 0.000 0.437 151 P HA -0.114 nan 4.420 nan 0.000 0.267 151 P C -0.557 176.655 177.300 -0.146 0.000 1.201 151 P CA 0.182 63.197 63.100 -0.143 0.000 0.775 151 P CB 0.344 32.037 31.700 -0.013 0.000 0.854 152 W N 0.616 121.988 121.300 0.120 0.000 2.425 152 W HA -0.040 4.621 4.660 0.001 0.000 0.277 152 W C 2.162 178.872 176.519 0.318 0.000 1.231 152 W CA 0.929 58.420 57.345 0.244 0.000 1.248 152 W CB -1.111 28.446 29.460 0.162 0.000 1.117 152 W HN 0.235 nan 8.180 nan 0.000 0.568 153 S N -0.138 115.761 115.700 0.332 0.000 2.607 153 S HA 0.034 4.505 4.470 0.001 0.000 0.224 153 S C 0.532 175.212 174.600 0.133 0.000 0.969 153 S CA 0.202 58.528 58.200 0.210 0.000 0.927 153 S CB -0.363 62.921 63.200 0.140 0.000 0.772 153 S HN -0.028 nan 8.310 nan 0.000 0.533 154 S N 1.397 117.187 115.700 0.149 0.000 2.509 154 S HA 0.429 4.900 4.470 0.001 0.000 0.297 154 S C 0.387 175.021 174.600 0.056 0.000 1.118 154 S CA -0.671 57.577 58.200 0.081 0.000 1.074 154 S CB 1.385 64.624 63.200 0.065 0.000 1.038 154 S HN 0.129 nan 8.310 nan 0.000 0.498 155 M N 1.541 121.124 119.600 -0.028 0.000 2.356 155 M HA 0.421 4.902 4.480 0.001 0.000 0.262 155 M C -0.473 175.801 176.300 -0.044 0.000 1.097 155 M CA 0.380 55.623 55.300 -0.095 0.000 0.991 155 M CB -0.780 31.750 32.600 -0.117 0.000 1.450 155 M HN 0.517 nan 8.290 nan 0.000 0.495 156 I N 0.230 120.791 120.570 -0.015 0.000 2.533 156 I HA 0.254 4.424 4.170 0.001 0.000 0.290 156 I C -1.666 174.439 176.117 -0.020 0.000 1.056 156 I CA -1.711 59.566 61.300 -0.038 0.000 1.057 156 I CB 2.729 40.708 38.000 -0.035 0.000 1.240 156 I HN -0.128 nan 8.210 nan 0.000 0.423 157 P HA -0.087 nan 4.420 nan 0.000 0.216 157 P C -0.378 176.716 177.300 -0.343 0.000 1.153 157 P CA 1.379 64.328 63.100 -0.251 0.000 0.848 157 P CB 0.061 31.525 31.700 -0.392 0.000 0.787 158 H N -0.923 118.156 119.070 0.015 0.000 2.467 158 H HA 0.373 4.930 4.556 0.001 0.000 0.331 158 H C 0.206 175.479 175.328 -0.092 0.000 1.120 158 H CA -0.616 55.405 56.048 -0.045 0.000 1.270 158 H CB 0.721 30.437 29.762 -0.076 0.000 1.466 158 H HN -0.012 nan 8.280 nan 0.000 0.504 159 E N 2.542 122.733 120.200 -0.015 0.000 2.283 159 E HA 0.215 4.566 4.350 0.001 0.000 0.271 159 E C -0.268 176.254 176.600 -0.129 0.000 1.031 159 E CA -0.635 55.696 56.400 -0.115 0.000 0.868 159 E CB 0.841 30.492 29.700 -0.082 0.000 1.094 159 E HN 0.752 nan 8.360 nan 0.000 0.401 160 H N -1.993 117.019 119.070 -0.097 0.000 2.902 160 H HA 0.212 4.769 4.556 0.001 0.000 0.297 160 H C -0.581 174.797 175.328 0.083 0.000 1.406 160 H CA -0.667 55.358 56.048 -0.039 0.000 1.134 160 H CB 0.767 30.476 29.762 -0.088 0.000 1.833 160 H HN 0.427 nan 8.280 nan 0.000 0.527 161 S N -0.506 115.358 115.700 0.273 0.000 2.554 161 S HA 0.227 4.697 4.470 0.001 0.000 0.226 161 S C -0.322 174.445 174.600 0.278 0.000 0.980 161 S CA -0.511 57.770 58.200 0.134 0.000 0.939 161 S CB -0.399 62.783 63.200 -0.030 0.000 0.832 161 S HN 0.311 nan 8.310 nan 0.000 0.486 162 F N 2.856 123.272 119.950 0.777 0.000 2.467 162 F HA 0.519 5.046 4.527 0.000 0.000 0.349 162 F C 0.016 176.251 175.800 0.725 0.000 1.182 162 F CA -0.855 57.607 58.000 0.770 0.000 1.279 162 F CB 0.065 39.531 39.000 0.776 0.000 1.626 162 F HN 0.058 nan 8.300 nan 0.000 0.596 163 L N 3.111 124.683 121.223 0.581 0.000 2.334 163 L HA 0.432 4.772 4.340 0.001 0.000 0.272 163 L C -1.392 175.614 176.870 0.226 0.000 1.020 163 L CA -2.058 53.010 54.840 0.380 0.000 0.812 163 L CB 1.550 43.726 42.059 0.195 0.000 1.264 163 L HN 0.097 nan 8.230 nan 0.000 0.439 164 P HA -0.169 nan 4.420 nan 0.000 0.212 164 P C 1.653 178.972 177.300 0.031 0.000 1.178 164 P CA 1.161 64.314 63.100 0.088 0.000 0.915 164 P CB 0.191 31.943 31.700 0.087 0.000 0.788 165 S N -0.386 115.326 115.700 0.021 0.000 2.445 165 S HA -0.293 4.177 4.470 0.001 0.000 0.293 165 S C 1.865 176.414 174.600 -0.085 0.000 1.163 165 S CA 2.612 60.798 58.200 -0.024 0.000 1.287 165 S CB -1.353 61.831 63.200 -0.027 0.000 1.234 165 S HN 0.500 nan 8.310 nan 0.000 0.446 166 S N 0.779 116.370 115.700 -0.183 0.000 2.211 166 S HA -0.010 4.460 4.470 0.001 0.000 0.158 166 S C 0.282 174.704 174.600 -0.297 0.000 1.361 166 S CA 0.178 58.154 58.200 -0.373 0.000 2.285 166 S CB -1.196 61.520 63.200 -0.807 0.000 0.432 166 S HN 0.381 nan 8.310 nan 0.000 0.351 167 Y N 3.316 123.642 120.300 0.045 0.000 2.769 167 Y HA 0.153 4.703 4.550 0.001 0.000 0.406 167 Y C 0.985 176.890 175.900 0.009 0.000 1.412 167 Y CA 0.303 58.426 58.100 0.038 0.000 1.880 167 Y CB -1.100 37.406 38.460 0.078 0.000 1.287 167 Y HN 0.420 nan 8.280 nan 0.000 0.464 168 R N 0.684 121.231 120.500 0.079 0.000 2.797 168 R HA 0.647 4.987 4.340 0.001 0.000 0.251 168 R C 1.256 177.577 176.300 0.035 0.000 1.107 168 R CA 0.012 56.134 56.100 0.037 0.000 1.084 168 R CB 1.125 31.433 30.300 0.013 0.000 1.205 168 R HN 0.726 nan 8.270 nan 0.000 0.515 169 G N 1.060 109.867 108.800 0.012 0.000 2.189 169 G HA2 -0.329 3.632 3.960 0.001 0.000 0.267 169 G HA3 -0.329 3.632 3.960 0.001 0.000 0.267 169 G C 0.463 175.358 174.900 -0.009 0.000 0.975 169 G CA 0.908 46.010 45.100 0.003 0.000 0.644 169 G HN 0.587 nan 8.290 nan 0.000 0.537 170 K N 0.138 120.530 120.400 -0.013 0.000 2.358 170 K HA 0.318 4.638 4.320 0.001 0.000 0.197 170 K C 0.717 177.249 176.600 -0.114 0.000 1.025 170 K CA 0.251 56.505 56.287 -0.055 0.000 1.104 170 K CB 0.351 32.827 32.500 -0.040 0.000 0.855 170 K HN 0.251 nan 8.250 nan 0.000 0.531 171 D N 1.263 121.617 120.400 -0.077 0.000 2.740 171 D HA -0.197 4.443 4.640 0.001 0.000 0.231 171 D C -0.735 175.481 176.300 -0.141 0.000 1.194 171 D CA 0.395 54.354 54.000 -0.067 0.000 0.673 171 D CB -0.549 40.226 40.800 -0.042 0.000 0.995 171 D HN 0.213 nan 8.370 nan 0.000 0.411 172 L N 1.463 122.553 121.223 -0.223 0.000 2.821 172 L HA 0.098 4.438 4.340 0.001 0.000 0.239 172 L C 1.094 177.874 176.870 -0.150 0.000 1.391 172 L CA 0.163 54.704 54.840 -0.498 0.000 1.231 172 L CB -0.372 41.394 42.059 -0.489 0.000 1.598 172 L HN 0.258 nan 8.230 nan 0.000 0.428 173 Q N 0.243 120.027 119.800 -0.026 0.000 2.260 173 Q HA 0.189 4.529 4.340 0.001 0.000 0.238 173 Q C 0.494 176.406 176.000 -0.146 0.000 0.948 173 Q CA -0.755 55.037 55.803 -0.018 0.000 0.895 173 Q CB 1.296 30.028 28.738 -0.010 0.000 1.218 173 Q HN 0.229 nan 8.270 nan 0.000 0.470 174 E N 1.121 121.195 120.200 -0.209 0.000 3.439 174 E HA -0.304 4.046 4.350 0.001 0.000 0.385 174 E C 0.140 176.687 176.600 -0.089 0.000 1.557 174 E CA 1.836 58.060 56.400 -0.293 0.000 1.684 174 E CB -0.942 28.278 29.700 -0.800 0.000 1.677 174 E HN 0.985 nan 8.360 nan 0.000 0.455 175 N N 0.448 119.045 118.700 -0.171 0.000 2.553 175 N HA 0.088 4.829 4.740 0.001 0.000 0.298 175 N C -1.120 174.507 175.510 0.195 0.000 1.596 175 N CA -0.218 52.801 53.050 -0.051 0.000 0.910 175 N CB -0.263 38.183 38.487 -0.068 0.000 1.336 175 N HN 0.114 nan 8.380 nan 0.000 0.497 176 Y N 0.507 120.999 120.300 0.320 0.000 2.359 176 Y HA 0.209 4.760 4.550 0.001 0.000 0.330 176 Y C 1.234 177.324 175.900 0.318 0.000 1.143 176 Y CA -1.785 56.468 58.100 0.255 0.000 1.318 176 Y CB 0.336 38.893 38.460 0.162 0.000 1.234 176 Y HN 0.139 nan 8.280 nan 0.000 0.522 177 c N 5.985 124.805 118.600 0.367 0.000 2.642 177 c HA 0.365 4.935 4.570 0.001 0.000 0.420 177 c C 0.732 174.916 174.090 0.156 0.000 1.349 177 c CA -0.527 55.917 56.329 0.192 0.000 1.821 177 c CB -0.875 41.694 42.510 0.100 0.000 2.637 177 c HN 0.694 nan 8.230 nan 0.000 0.605 178 R N 2.148 122.563 120.500 -0.142 0.000 2.846 178 R HA 0.428 4.768 4.340 0.001 0.000 0.263 178 R C -0.924 175.070 176.300 -0.509 0.000 1.080 178 R CA -0.735 55.193 56.100 -0.287 0.000 0.961 178 R CB 1.045 31.018 30.300 -0.545 0.000 1.231 178 R HN 0.614 nan 8.270 nan 0.000 0.465 179 N N 0.794 119.324 118.700 -0.283 0.000 2.673 179 N HA 0.234 4.974 4.740 0.001 0.000 0.265 179 N C -2.285 173.206 175.510 -0.032 0.000 1.709 179 N CA -1.418 51.592 53.050 -0.067 0.000 0.792 179 N CB 0.665 39.186 38.487 0.057 0.000 1.286 179 N HN 0.112 nan 8.380 nan 0.000 0.506 180 P HA -0.088 nan 4.420 nan 0.000 0.216 180 P C 0.945 178.263 177.300 0.031 0.000 1.153 180 P CA 1.320 64.391 63.100 -0.049 0.000 0.858 180 P CB 0.366 32.031 31.700 -0.058 0.000 0.789 181 R N -1.994 118.573 120.500 0.111 0.000 2.240 181 R HA 0.208 4.549 4.340 0.001 0.000 0.203 181 R C 1.252 177.595 176.300 0.072 0.000 1.011 181 R CA 0.792 56.947 56.100 0.092 0.000 1.007 181 R CB -0.537 29.852 30.300 0.148 0.000 0.911 181 R HN 0.181 nan 8.270 nan 0.000 0.468 182 G N 2.299 111.150 108.800 0.086 0.000 2.182 182 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 182 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 182 G C -0.447 174.491 174.900 0.063 0.000 1.042 182 G CA -0.146 44.992 45.100 0.064 0.000 0.775 182 G HN 0.394 nan 8.290 nan 0.000 0.501 183 E N 0.280 120.532 120.200 0.085 0.000 2.366 183 E HA 0.281 4.631 4.350 0.001 0.000 0.266 183 E C 1.003 177.628 176.600 0.042 0.000 1.051 183 E CA -0.521 55.908 56.400 0.048 0.000 0.884 183 E CB 0.981 30.689 29.700 0.014 0.000 1.006 183 E HN 0.177 nan 8.360 nan 0.000 0.417 184 E N 2.186 122.397 120.200 0.019 0.000 2.330 184 E HA -0.284 4.067 4.350 0.001 0.000 0.239 184 E C 1.839 178.449 176.600 0.016 0.000 1.097 184 E CA 2.258 58.665 56.400 0.012 0.000 1.031 184 E CB -0.740 28.961 29.700 0.001 0.000 0.885 184 E HN 0.879 nan 8.360 nan 0.000 0.479 185 G N 0.003 108.814 108.800 0.018 0.000 2.534 185 G HA2 0.169 4.130 3.960 0.001 0.000 0.217 185 G HA3 0.169 4.130 3.960 0.001 0.000 0.217 185 G C 0.821 175.749 174.900 0.047 0.000 1.128 185 G CA 1.057 46.170 45.100 0.023 0.000 0.784 185 G HN 0.667 nan 8.290 nan 0.000 0.542 186 G N -0.814 108.035 108.800 0.081 0.000 2.526 186 G HA2 -0.011 3.949 3.960 0.001 0.000 0.250 186 G HA3 -0.011 3.949 3.960 0.001 0.000 0.250 186 G C -3.033 171.961 174.900 0.156 0.000 1.289 186 G CA -0.610 44.532 45.100 0.070 0.000 0.947 186 G HN 0.210 nan 8.290 nan 0.000 0.517 187 P HA 0.324 nan 4.420 nan 0.000 0.265 187 P C 0.210 177.547 177.300 0.062 0.000 1.193 187 P CA 0.531 63.608 63.100 -0.038 0.000 0.765 187 P CB 0.222 31.823 31.700 -0.166 0.000 0.823 188 W N 2.062 123.363 121.300 0.002 0.000 3.483 188 W HA 0.697 5.357 4.660 -0.000 0.000 0.378 188 W C -1.372 175.165 176.519 0.030 0.000 1.097 188 W CA -0.804 56.532 57.345 -0.014 0.000 1.075 188 W CB 0.308 29.746 29.460 -0.037 0.000 1.534 188 W HN 0.646 nan 8.180 nan 0.000 0.610 189 c N -1.132 117.587 118.600 0.197 0.000 3.224 189 c HA 0.592 5.162 4.570 0.001 0.000 0.348 189 c C -1.288 172.758 174.090 -0.073 0.000 1.242 189 c CA -1.028 55.170 56.329 -0.219 0.000 1.180 189 c CB 0.358 42.732 42.510 -0.227 0.000 1.458 189 c HN 0.493 nan 8.230 nan 0.000 0.485 190 F N 2.299 122.174 119.950 -0.125 0.000 2.438 190 F HA 0.479 5.007 4.527 0.001 0.000 0.356 190 F C 1.422 177.213 175.800 -0.015 0.000 1.099 190 F CA 0.519 58.507 58.000 -0.020 0.000 1.185 190 F CB 1.206 40.159 39.000 -0.078 0.000 1.115 190 F HN 0.706 nan 8.300 nan 0.000 0.526 191 T N 2.070 116.748 114.554 0.206 0.000 2.919 191 T HA 0.052 4.403 4.350 0.001 0.000 0.302 191 T C 1.122 175.995 174.700 0.288 0.000 1.031 191 T CA -0.267 61.948 62.100 0.192 0.000 1.127 191 T CB 0.682 69.637 68.868 0.146 0.000 0.952 191 T HN 0.690 nan 8.240 nan 0.000 0.540 192 S N 1.780 117.575 115.700 0.157 0.000 2.603 192 S HA -0.029 4.442 4.470 0.001 0.000 0.229 192 S C 0.763 175.423 174.600 0.100 0.000 0.972 192 S CA -0.367 57.900 58.200 0.112 0.000 0.935 192 S CB -0.311 62.925 63.200 0.061 0.000 0.769 192 S HN 0.676 nan 8.310 nan 0.000 0.536 193 N N 2.332 121.123 118.700 0.152 0.000 2.500 193 N HA 0.276 5.017 4.740 0.001 0.000 0.236 193 N C -2.335 173.271 175.510 0.161 0.000 1.022 193 N CA -2.233 50.888 53.050 0.118 0.000 0.935 193 N CB 1.437 39.983 38.487 0.098 0.000 1.147 193 N HN -0.099 nan 8.380 nan 0.000 0.512 194 P HA -0.169 nan 4.420 nan 0.000 0.218 194 P C 0.628 177.998 177.300 0.117 0.000 1.147 194 P CA 1.295 64.377 63.100 -0.029 0.000 0.827 194 P CB 0.424 32.095 31.700 -0.048 0.000 0.778 195 E N -1.211 119.062 120.200 0.120 0.000 2.299 195 E HA 0.022 4.372 4.350 0.001 0.000 0.193 195 E C 0.342 177.029 176.600 0.146 0.000 0.998 195 E CA 0.600 57.069 56.400 0.114 0.000 0.851 195 E CB 0.165 29.904 29.700 0.066 0.000 0.795 195 E HN 0.138 nan 8.360 nan 0.000 0.492 196 V N 2.818 122.845 119.914 0.188 0.000 2.326 196 V HA 0.187 4.308 4.120 0.001 0.000 0.281 196 V C 1.261 177.406 176.094 0.086 0.000 1.015 196 V CA -0.512 61.853 62.300 0.109 0.000 0.823 196 V CB 1.900 33.746 31.823 0.038 0.000 1.009 196 V HN 0.014 nan 8.190 nan 0.000 0.436 197 R N 3.320 123.805 120.500 -0.026 0.000 2.097 197 R HA -0.100 4.240 4.340 0.001 0.000 0.236 197 R C 0.261 176.478 176.300 -0.139 0.000 1.135 197 R CA 2.024 57.856 56.100 -0.446 0.000 0.934 197 R CB 0.075 30.459 30.300 0.140 0.000 0.846 197 R HN 0.785 nan 8.270 nan 0.000 0.431 198 Y N -3.178 117.035 120.300 -0.145 0.000 2.670 198 Y HA 0.679 5.229 4.550 0.000 0.000 0.334 198 Y C -1.212 174.622 175.900 -0.109 0.000 1.185 198 Y CA -1.656 56.352 58.100 -0.154 0.000 1.053 198 Y CB 1.155 39.351 38.460 -0.441 0.000 1.298 198 Y HN 0.026 nan 8.280 nan 0.000 0.459 199 E N 0.452 120.539 120.200 -0.188 0.000 2.401 199 E HA 0.550 4.900 4.350 0.001 0.000 0.280 199 E C -2.091 174.517 176.600 0.013 0.000 1.039 199 E CA -0.862 55.404 56.400 -0.223 0.000 0.814 199 E CB 3.178 32.793 29.700 -0.142 0.000 1.275 199 E HN 0.679 nan 8.360 nan 0.000 0.448 200 V N 1.539 121.448 119.914 -0.008 0.000 2.785 200 V HA 0.258 4.379 4.120 0.001 0.000 0.300 200 V C 0.065 176.185 176.094 0.043 0.000 1.062 200 V CA -0.302 62.050 62.300 0.085 0.000 1.029 200 V CB 1.198 33.046 31.823 0.042 0.000 1.024 200 V HN 0.767 nan 8.190 nan 0.000 0.477 201 c N 2.397 121.023 118.600 0.044 0.000 2.335 201 c HA 0.346 4.916 4.570 0.001 0.000 0.363 201 c C 0.684 174.757 174.090 -0.028 0.000 1.198 201 c CA -0.604 55.726 56.329 0.002 0.000 2.279 201 c CB 0.891 43.396 42.510 -0.009 0.000 2.334 201 c HN 0.857 nan 8.230 nan 0.000 0.559 202 D N 1.034 121.413 120.400 -0.035 0.000 3.139 202 D HA 0.332 4.972 4.640 0.001 0.000 0.268 202 D C -0.263 175.997 176.300 -0.068 0.000 1.322 202 D CA -0.064 53.910 54.000 -0.043 0.000 0.940 202 D CB -0.406 40.377 40.800 -0.028 0.000 1.050 202 D HN 0.380 nan 8.370 nan 0.000 0.503 203 I N 2.233 122.733 120.570 -0.116 0.000 2.452 203 I HA 0.167 4.337 4.170 0.001 0.000 0.287 203 I C -1.700 174.340 176.117 -0.129 0.000 1.079 203 I CA -1.507 59.691 61.300 -0.171 0.000 1.387 203 I CB 0.789 38.563 38.000 -0.376 0.000 1.404 203 I HN 0.038 nan 8.210 nan 0.000 0.522 204 P HA 0.019 nan 4.420 nan 0.000 0.269 204 P C -0.824 176.437 177.300 -0.065 0.000 1.217 204 P CA -0.277 62.786 63.100 -0.061 0.000 0.783 204 P CB 0.414 32.089 31.700 -0.041 0.000 0.898 205 Q N 0.434 120.206 119.800 -0.046 0.000 2.230 205 Q HA 0.131 4.472 4.340 0.001 0.000 0.248 205 Q C 0.783 176.769 176.000 -0.024 0.000 0.915 205 Q CA -0.250 55.532 55.803 -0.036 0.000 0.900 205 Q CB 1.182 29.904 28.738 -0.027 0.000 1.229 205 Q HN 0.531 nan 8.270 nan 0.000 0.439 206 c N 0.497 119.088 118.600 -0.015 0.000 2.449 206 c HA -0.060 4.511 4.570 0.001 0.000 0.283 206 c C 1.501 175.586 174.090 -0.009 0.000 1.453 206 c CA 0.458 56.782 56.329 -0.009 0.000 1.779 206 c CB -1.119 41.391 42.510 -0.000 0.000 1.779 206 c HN 0.651 nan 8.230 nan 0.000 0.546 207 S N 1.048 116.742 115.700 -0.010 0.000 2.738 207 S HA 0.141 4.612 4.470 0.001 0.000 0.227 207 S C 1.149 175.742 174.600 -0.011 0.000 1.311 207 S CA 0.017 58.212 58.200 -0.009 0.000 1.249 207 S CB -0.631 62.564 63.200 -0.007 0.000 1.030 207 S HN 0.785 nan 8.310 nan 0.000 0.512 208 E N 0.432 120.624 120.200 -0.012 0.000 2.586 208 E HA -0.347 4.003 4.350 0.001 0.000 0.254 208 E C 0.467 177.059 176.600 -0.013 0.000 1.202 208 E CA 1.903 58.295 56.400 -0.014 0.000 1.040 208 E CB -0.541 29.151 29.700 -0.012 0.000 0.858 208 E HN 0.534 nan 8.360 nan 0.000 0.433 209 V N 0.000 119.908 119.914 -0.011 0.000 2.409 209 V HA 0.000 4.120 4.120 0.001 0.000 0.244 209 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 209 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 209 V HN 0.000 nan 8.190 nan 0.000 0.556