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 2ed6_1_D DATA FIRST_RESID 32 DATA SEQUENCE TVTKTIETHT DNIETNMDEN LRIPVTAEVG SGYFKMTDVS FDSDTLGKIK DATA SEQUENCE IRNGKSDAQM KEEDADLVIT PVEGRALEVT VGQNLTFEGT FKVWNNTSRK DATA SEQUENCE INITGMQMVP KINPSKAFVG SSNTSSFTPV SIDEDEVGTF VCGTTFGAPI DATA SEQUENCE AATAGGNLFD MYVHVTYSGT 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.672 174.700 -0.047 0.000 1.109 32 T CA 0.000 62.081 62.100 -0.032 0.000 1.349 32 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 33 V N 2.356 122.242 119.914 -0.047 0.000 2.407 33 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 33 V C 2.680 178.731 176.094 -0.071 0.000 1.055 33 V CA 2.434 64.696 62.300 -0.064 0.000 1.049 33 V CB -0.750 31.044 31.823 -0.048 0.000 0.662 33 V HN 1.004 nan 8.190 nan 0.000 0.455 34 T N -0.115 114.409 114.554 -0.050 0.000 2.684 34 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 34 T C 1.883 176.552 174.700 -0.052 0.000 1.036 34 T CA 1.648 63.721 62.100 -0.045 0.000 1.148 34 T CB -0.235 68.615 68.868 -0.031 0.000 0.863 34 T HN 0.490 nan 8.240 nan 0.000 0.436 35 K N 0.300 120.669 120.400 -0.052 0.000 2.296 35 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 35 K C 2.470 179.023 176.600 -0.077 0.000 1.048 35 K CA 0.935 57.191 56.287 -0.050 0.000 0.966 35 K CB -0.120 32.358 32.500 -0.036 0.000 0.754 35 K HN 0.246 nan 8.250 nan 0.000 0.466 36 T N 1.787 116.269 114.554 -0.119 0.000 2.812 36 T HA -0.005 4.345 4.350 -0.000 0.000 0.264 36 T C 1.872 176.376 174.700 -0.327 0.000 1.042 36 T CA 0.801 62.769 62.100 -0.219 0.000 1.140 36 T CB -0.042 68.676 68.868 -0.251 0.000 0.870 36 T HN 0.122 nan 8.240 nan 0.000 0.445 37 I N 1.003 121.441 120.570 -0.220 0.000 2.315 37 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 37 I C 2.534 178.620 176.117 -0.051 0.000 1.117 37 I CA 1.308 62.521 61.300 -0.145 0.000 1.404 37 I CB -0.362 37.593 38.000 -0.075 0.000 1.071 37 I HN 0.336 nan 8.210 nan 0.000 0.419 38 E N 0.270 120.440 120.200 -0.049 0.000 2.106 38 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 38 E C 2.117 178.720 176.600 0.004 0.000 0.984 38 E CA 1.677 58.066 56.400 -0.018 0.000 0.806 38 E CB -0.107 29.580 29.700 -0.022 0.000 0.750 38 E HN 0.447 nan 8.360 nan 0.000 0.458 39 T N 0.216 114.769 114.554 -0.002 0.000 2.777 39 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 39 T C 1.528 176.313 174.700 0.141 0.000 1.040 39 T CA 1.223 63.352 62.100 0.047 0.000 1.141 39 T CB -0.253 68.638 68.868 0.037 0.000 0.868 39 T HN 0.187 nan 8.240 nan 0.000 0.444 40 H N 1.162 120.224 119.070 -0.013 0.000 2.352 40 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 40 H C 2.614 177.930 175.328 -0.020 0.000 1.097 40 H CA 1.470 57.509 56.048 -0.014 0.000 1.311 40 H CB -0.995 28.760 29.762 -0.013 0.000 1.377 40 H HN 0.266 nan 8.280 nan 0.000 0.504 41 T N 0.853 115.473 114.554 0.110 0.000 2.684 41 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 41 T C 1.532 176.235 174.700 0.005 0.000 1.036 41 T CA 1.661 63.781 62.100 0.034 0.000 1.148 41 T CB -0.240 68.634 68.868 0.010 0.000 0.863 41 T HN 0.412 nan 8.240 nan 0.000 0.436 42 D N 1.062 121.470 120.400 0.014 0.000 2.117 42 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 42 D C 2.152 178.452 176.300 -0.000 0.000 0.982 42 D CA 0.847 54.846 54.000 -0.002 0.000 0.828 42 D CB -0.420 40.384 40.800 0.007 0.000 0.967 42 D HN 0.269 nan 8.370 nan 0.000 0.464 43 N N 0.812 119.523 118.700 0.018 0.000 2.188 43 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 43 N C 2.127 177.627 175.510 -0.018 0.000 1.018 43 N CA 0.336 53.388 53.050 0.004 0.000 0.858 43 N CB -0.226 38.264 38.487 0.005 0.000 0.989 43 N HN 0.290 nan 8.380 nan 0.000 0.426 44 I N 1.216 121.770 120.570 -0.027 0.000 2.226 44 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 44 I C 2.450 178.543 176.117 -0.039 0.000 1.100 44 I CA 1.031 62.308 61.300 -0.039 0.000 1.374 44 I CB -0.168 37.809 38.000 -0.038 0.000 1.057 44 I HN 0.217 nan 8.210 nan 0.000 0.413 45 E N 0.781 120.947 120.200 -0.056 0.000 2.051 45 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 45 E C 2.129 178.701 176.600 -0.046 0.000 0.991 45 E CA 2.166 58.502 56.400 -0.106 0.000 0.799 45 E CB 0.008 29.621 29.700 -0.145 0.000 0.748 45 E HN 0.556 nan 8.360 nan 0.000 0.449 46 T N -0.911 113.640 114.554 -0.005 0.000 2.881 46 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 46 T C 1.429 176.161 174.700 0.054 0.000 1.068 46 T CA 1.119 63.245 62.100 0.042 0.000 1.131 46 T CB -0.245 68.642 68.868 0.032 0.000 0.871 46 T HN 0.024 nan 8.240 nan 0.000 0.479 47 N N 0.722 119.439 118.700 0.028 0.000 2.461 47 N HA 0.236 4.976 4.740 -0.000 0.000 0.188 47 N C 0.045 175.582 175.510 0.045 0.000 1.134 47 N CA 0.114 53.182 53.050 0.030 0.000 0.878 47 N CB -0.368 38.122 38.487 0.004 0.000 0.972 47 N HN 0.570 nan 8.380 nan 0.000 0.456 48 M N 1.158 120.800 119.600 0.070 0.000 2.292 48 M HA 0.066 4.546 4.480 -0.000 0.000 0.342 48 M C -0.537 175.819 176.300 0.094 0.000 1.538 48 M CA 0.559 55.919 55.300 0.100 0.000 1.163 48 M CB 0.343 33.039 32.600 0.161 0.000 1.823 48 M HN -0.175 nan 8.290 nan 0.000 0.462 49 D N 2.543 122.967 120.400 0.041 0.000 2.340 49 D HA 0.590 5.230 4.640 -0.000 0.000 0.240 49 D C -0.924 175.354 176.300 -0.037 0.000 1.001 49 D CA -0.283 53.709 54.000 -0.012 0.000 0.888 49 D CB 2.192 43.037 40.800 0.075 0.000 1.310 49 D HN 0.426 nan 8.370 nan 0.000 0.474 50 E N 0.757 120.876 120.200 -0.135 0.000 2.451 50 E HA 0.209 4.559 4.350 -0.000 0.000 0.295 50 E C -1.814 174.749 176.600 -0.063 0.000 0.966 50 E CA -0.592 55.769 56.400 -0.066 0.000 0.808 50 E CB 0.814 30.485 29.700 -0.050 0.000 1.242 50 E HN 0.082 nan 8.360 nan 0.000 0.412 51 N N 4.368 123.099 118.700 0.052 0.000 2.589 51 N HA 0.252 4.992 4.740 -0.000 0.000 0.232 51 N C -0.987 174.585 175.510 0.103 0.000 1.015 51 N CA -0.520 52.600 53.050 0.118 0.000 0.931 51 N CB 0.687 39.268 38.487 0.157 0.000 1.150 51 N HN 0.381 nan 8.380 nan 0.000 0.512 52 L N 1.883 123.127 121.223 0.034 0.000 2.360 52 L HA 0.197 4.537 4.340 -0.000 0.000 0.276 52 L C 0.968 177.772 176.870 -0.111 0.000 1.121 52 L CA 0.236 55.063 54.840 -0.022 0.000 0.845 52 L CB 0.206 42.254 42.059 -0.018 0.000 1.143 52 L HN 0.262 nan 8.230 nan 0.000 0.452 53 R N 5.384 125.737 120.500 -0.246 0.000 2.207 53 R HA 0.515 4.855 4.340 -0.000 0.000 0.334 53 R C -1.135 174.901 176.300 -0.441 0.000 1.013 53 R CA -0.382 55.407 56.100 -0.518 0.000 0.858 53 R CB 0.373 30.372 30.300 -0.502 0.000 1.094 53 R HN 0.616 nan 8.270 nan 0.000 0.457 54 I N 7.696 128.027 120.570 -0.399 0.000 2.390 54 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 54 I C -2.013 173.969 176.117 -0.225 0.000 1.016 54 I CA -2.513 58.631 61.300 -0.260 0.000 1.151 54 I CB 2.007 39.884 38.000 -0.205 0.000 1.293 54 I HN 0.438 nan 8.210 nan 0.000 0.458 55 P HA 0.153 nan 4.420 nan 0.000 0.271 55 P C -0.675 176.599 177.300 -0.044 0.000 1.216 55 P CA 0.071 63.105 63.100 -0.110 0.000 0.771 55 P CB 1.725 33.371 31.700 -0.090 0.000 0.864 56 V N 3.135 123.053 119.914 0.007 0.000 3.078 56 V HA 0.484 4.604 4.120 -0.000 0.000 0.311 56 V C 0.046 176.254 176.094 0.189 0.000 1.138 56 V CA -0.475 61.877 62.300 0.085 0.000 1.007 56 V CB 2.590 34.435 31.823 0.036 0.000 1.045 56 V HN 0.479 nan 8.190 nan 0.000 0.432 57 T N 2.429 117.123 114.554 0.234 0.000 2.809 57 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 57 T C -0.066 174.806 174.700 0.286 0.000 0.992 57 T CA -0.185 62.052 62.100 0.229 0.000 0.957 57 T CB 1.421 70.366 68.868 0.129 0.000 0.942 57 T HN 0.966 nan 8.240 nan 0.000 0.439 58 A N 3.271 126.231 122.820 0.232 0.000 2.457 58 A HA 0.293 4.613 4.320 -0.000 0.000 0.298 58 A C 0.474 177.990 177.584 -0.115 0.000 1.288 58 A CA -0.358 51.547 52.037 -0.221 0.000 0.956 58 A CB -0.286 18.203 19.000 -0.852 0.000 1.135 58 A HN 0.854 nan 8.150 nan 0.000 0.535 59 E N 3.353 123.625 120.200 0.119 0.000 2.104 59 E HA 0.250 4.600 4.350 -0.000 0.000 0.278 59 E C -0.415 176.354 176.600 0.282 0.000 1.127 59 E CA -0.387 56.120 56.400 0.179 0.000 0.897 59 E CB 0.411 30.225 29.700 0.191 0.000 1.043 59 E HN 0.455 nan 8.360 nan 0.000 0.410 60 V N 4.897 124.933 119.914 0.203 0.000 2.625 60 V HA -0.027 4.093 4.120 -0.000 0.000 0.305 60 V C 1.478 177.675 176.094 0.171 0.000 1.055 60 V CA 1.900 64.334 62.300 0.222 0.000 1.209 60 V CB 0.413 32.310 31.823 0.123 0.000 0.877 60 V HN 1.096 nan 8.190 nan 0.000 0.489 61 G N 4.062 112.947 108.800 0.142 0.000 2.159 61 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 61 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 61 G C 0.820 175.744 174.900 0.040 0.000 0.977 61 G CA 0.947 46.080 45.100 0.055 0.000 0.652 61 G HN 1.329 nan 8.290 nan 0.000 0.531 62 S N -1.480 114.268 115.700 0.079 0.000 2.554 62 S HA 0.456 4.926 4.470 -0.000 0.000 0.227 62 S C 2.160 176.717 174.600 -0.071 0.000 1.050 62 S CA 1.413 59.670 58.200 0.095 0.000 0.927 62 S CB 0.559 63.898 63.200 0.233 0.000 0.859 62 S HN 2.263 nan 8.310 nan 0.000 0.494 63 G N 0.410 109.047 108.800 -0.272 0.000 2.153 63 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 63 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 63 G C -0.196 174.379 174.900 -0.541 0.000 0.994 63 G CA 0.643 45.349 45.100 -0.656 0.000 0.698 63 G HN 0.624 nan 8.290 nan 0.000 0.521 64 Y N -1.477 118.892 120.300 0.115 0.000 2.512 64 Y HA 0.646 5.196 4.550 -0.000 0.000 0.348 64 Y C 0.225 176.244 175.900 0.200 0.000 0.990 64 Y CA -1.301 56.887 58.100 0.146 0.000 1.033 64 Y CB 1.487 40.025 38.460 0.131 0.000 1.259 64 Y HN 0.030 nan 8.280 nan 0.000 0.461 65 F N 3.684 123.905 119.950 0.452 0.000 2.411 65 F HA 0.354 4.881 4.527 -0.000 0.000 0.355 65 F C 0.098 176.035 175.800 0.228 0.000 1.117 65 F CA -0.745 57.416 58.000 0.268 0.000 1.139 65 F CB 0.702 39.832 39.000 0.218 0.000 1.120 65 F HN 0.158 nan 8.300 nan 0.000 0.493 66 K N 6.038 126.652 120.400 0.357 0.000 2.156 66 K HA 0.519 4.839 4.320 -0.000 0.000 0.271 66 K C -0.390 176.310 176.600 0.166 0.000 0.995 66 K CA -0.492 55.927 56.287 0.220 0.000 0.890 66 K CB 1.948 34.546 32.500 0.163 0.000 1.073 66 K HN 0.703 nan 8.250 nan 0.000 0.454 67 M N -0.656 119.013 119.600 0.115 0.000 2.535 67 M HA 0.452 4.932 4.480 -0.000 0.000 0.314 67 M C -0.438 175.890 176.300 0.047 0.000 1.153 67 M CA -0.704 54.635 55.300 0.066 0.000 0.924 67 M CB 1.782 34.403 32.600 0.035 0.000 1.710 67 M HN 0.124 nan 8.290 nan 0.000 0.451 68 T N 0.831 115.405 114.554 0.033 0.000 2.875 68 T HA 0.256 4.606 4.350 -0.000 0.000 0.284 68 T C -0.679 174.038 174.700 0.027 0.000 0.995 68 T CA -0.339 61.779 62.100 0.029 0.000 1.060 68 T CB 0.824 69.707 68.868 0.024 0.000 0.967 68 T HN 0.603 nan 8.240 nan 0.000 0.476 69 D N 1.949 122.364 120.400 0.024 0.000 2.531 69 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 69 D C -0.336 175.983 176.300 0.033 0.000 1.144 69 D CA 0.722 54.736 54.000 0.022 0.000 0.869 69 D CB 0.346 41.155 40.800 0.016 0.000 1.160 69 D HN 0.152 nan 8.370 nan 0.000 0.484 70 V N 0.994 120.934 119.914 0.044 0.000 3.216 70 V HA 0.573 4.693 4.120 -0.000 0.000 0.302 70 V C -0.577 175.552 176.094 0.059 0.000 1.286 70 V CA -0.947 61.401 62.300 0.080 0.000 1.048 70 V CB 2.368 34.279 31.823 0.148 0.000 1.081 70 V HN 0.437 nan 8.190 nan 0.000 0.442 71 S N 1.896 117.642 115.700 0.075 0.000 2.614 71 S HA 0.910 5.380 4.470 -0.000 0.000 0.288 71 S C -1.256 173.393 174.600 0.081 0.000 1.137 71 S CA -0.451 57.735 58.200 -0.024 0.000 0.992 71 S CB 0.871 64.055 63.200 -0.026 0.000 1.026 71 S HN 1.007 nan 8.310 nan 0.000 0.486 72 F N 1.030 120.965 119.950 -0.026 0.000 2.685 72 F HA 0.722 5.249 4.527 -0.000 0.000 0.315 72 F C -1.179 174.606 175.800 -0.025 0.000 1.126 72 F CA -1.068 56.916 58.000 -0.027 0.000 0.950 72 F CB 0.898 39.877 39.000 -0.035 0.000 1.360 72 F HN 0.270 nan 8.300 nan 0.000 0.469 73 D N 1.266 121.814 120.400 0.247 0.000 2.375 73 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 73 D C -1.271 175.148 176.300 0.199 0.000 1.061 73 D CA -0.206 53.872 54.000 0.131 0.000 0.834 73 D CB 2.204 43.042 40.800 0.064 0.000 1.247 73 D HN 0.617 nan 8.370 nan 0.000 0.489 74 S N 1.457 117.247 115.700 0.150 0.000 2.451 74 S HA 0.147 4.617 4.470 -0.000 0.000 0.301 74 S C 0.675 175.313 174.600 0.064 0.000 1.116 74 S CA -0.623 57.655 58.200 0.130 0.000 1.093 74 S CB 1.251 64.538 63.200 0.145 0.000 1.017 74 S HN 0.159 nan 8.310 nan 0.000 0.482 75 D N 3.420 123.849 120.400 0.048 0.000 2.221 75 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 75 D C 1.482 177.797 176.300 0.024 0.000 0.982 75 D CA 1.477 55.493 54.000 0.028 0.000 0.857 75 D CB -0.000 40.812 40.800 0.020 0.000 0.934 75 D HN 0.616 nan 8.370 nan 0.000 0.475 76 T N -0.068 114.508 114.554 0.035 0.000 2.925 76 T HA 0.136 4.486 4.350 -0.000 0.000 0.245 76 T C 2.046 176.781 174.700 0.059 0.000 1.025 76 T CA 0.186 62.310 62.100 0.040 0.000 1.149 76 T CB 0.149 69.044 68.868 0.046 0.000 0.866 76 T HN 0.055 nan 8.240 nan 0.000 0.437 77 L N 0.380 121.641 121.223 0.065 0.000 2.446 77 L HA 0.316 4.656 4.340 -0.000 0.000 0.219 77 L C 1.631 178.513 176.870 0.021 0.000 1.116 77 L CA 0.194 55.076 54.840 0.070 0.000 0.844 77 L CB -0.703 41.379 42.059 0.037 0.000 0.970 77 L HN 0.523 nan 8.230 nan 0.000 0.457 78 G N 0.686 109.491 108.800 0.008 0.000 2.484 78 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.225 78 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.225 78 G C -0.448 174.417 174.900 -0.058 0.000 1.250 78 G CA -0.622 44.465 45.100 -0.022 0.000 0.926 78 G HN 0.145 nan 8.290 nan 0.000 0.581 79 K N 0.468 120.815 120.400 -0.089 0.000 2.349 79 K HA 0.526 4.846 4.320 -0.000 0.000 0.288 79 K C -0.065 176.391 176.600 -0.240 0.000 1.058 79 K CA 0.186 56.387 56.287 -0.143 0.000 0.953 79 K CB 0.671 33.112 32.500 -0.099 0.000 0.997 79 K HN 0.393 nan 8.250 nan 0.000 0.477 80 I N 3.221 123.514 120.570 -0.462 0.000 2.465 80 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 80 I C -0.414 175.313 176.117 -0.651 0.000 1.014 80 I CA -0.846 60.083 61.300 -0.618 0.000 1.093 80 I CB 1.781 39.206 38.000 -0.958 0.000 1.267 80 I HN 0.362 nan 8.210 nan 0.000 0.431 81 K N 6.639 126.830 120.400 -0.348 0.000 2.471 81 K HA 0.608 4.928 4.320 -0.000 0.000 0.252 81 K C -1.137 175.390 176.600 -0.121 0.000 0.938 81 K CA -0.595 55.565 56.287 -0.211 0.000 0.796 81 K CB 2.811 35.252 32.500 -0.098 0.000 1.161 81 K HN 0.478 nan 8.250 nan 0.000 0.425 82 I N 3.654 124.179 120.570 -0.076 0.000 2.315 82 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 82 I C -0.100 176.012 176.117 -0.008 0.000 1.006 82 I CA -0.610 60.670 61.300 -0.033 0.000 1.265 82 I CB 0.670 38.667 38.000 -0.005 0.000 1.387 82 I HN 0.291 nan 8.210 nan 0.000 0.475 83 R N 5.497 125.999 120.500 0.004 0.000 2.468 83 R HA 0.342 4.682 4.340 -0.000 0.000 0.302 83 R C -0.763 175.547 176.300 0.017 0.000 1.041 83 R CA -0.778 55.328 56.100 0.010 0.000 0.899 83 R CB 1.198 31.504 30.300 0.010 0.000 1.167 83 R HN 0.567 nan 8.270 nan 0.000 0.483 84 N N 0.260 118.969 118.700 0.015 0.000 2.479 84 N HA 0.049 4.789 4.740 -0.000 0.000 0.257 84 N C 1.088 176.603 175.510 0.008 0.000 1.232 84 N CA 1.304 54.364 53.050 0.016 0.000 0.920 84 N CB 0.908 39.404 38.487 0.014 0.000 1.105 84 N HN 0.784 nan 8.380 nan 0.000 0.444 85 G N 0.604 109.407 108.800 0.005 0.000 2.203 85 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.263 85 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.263 85 G C -0.140 174.757 174.900 -0.004 0.000 1.012 85 G CA 0.433 45.531 45.100 -0.002 0.000 0.749 85 G HN 0.434 nan 8.290 nan 0.000 0.512 86 K N 0.943 121.343 120.400 -0.001 0.000 2.172 86 K HA 0.557 4.877 4.320 -0.000 0.000 0.276 86 K C 0.877 177.468 176.600 -0.015 0.000 1.013 86 K CA 0.126 56.406 56.287 -0.012 0.000 0.913 86 K CB 1.605 34.096 32.500 -0.014 0.000 1.055 86 K HN 0.515 nan 8.250 nan 0.000 0.461 87 S N 0.662 116.343 115.700 -0.030 0.000 2.645 87 S HA 0.131 4.601 4.470 -0.000 0.000 0.266 87 S C 0.577 175.144 174.600 -0.055 0.000 1.258 87 S CA -0.426 57.754 58.200 -0.032 0.000 0.990 87 S CB 0.805 63.983 63.200 -0.037 0.000 0.967 87 S HN 0.422 nan 8.310 nan 0.000 0.556 88 D N 1.451 121.820 120.400 -0.051 0.000 2.116 88 D HA -0.085 4.555 4.640 -0.000 0.000 0.193 88 D C 2.206 178.402 176.300 -0.173 0.000 0.998 88 D CA 2.059 56.009 54.000 -0.083 0.000 0.836 88 D CB -0.866 39.905 40.800 -0.050 0.000 0.951 88 D HN 0.706 nan 8.370 nan 0.000 0.449 89 A N 0.539 123.274 122.820 -0.142 0.000 1.902 89 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 89 A C 2.098 179.557 177.584 -0.208 0.000 1.181 89 A CA 1.636 53.569 52.037 -0.174 0.000 0.623 89 A CB -0.653 18.281 19.000 -0.110 0.000 0.818 89 A HN 0.259 nan 8.150 nan 0.000 0.443 90 Q N -0.996 118.713 119.800 -0.152 0.000 2.124 90 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 90 Q C 2.184 178.074 176.000 -0.182 0.000 0.977 90 Q CA 1.553 57.275 55.803 -0.136 0.000 0.850 90 Q CB -0.309 28.381 28.738 -0.081 0.000 0.901 90 Q HN 0.723 nan 8.270 nan 0.000 0.429 91 M N 0.564 120.038 119.600 -0.210 0.000 2.108 91 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 91 M C 2.184 178.170 176.300 -0.524 0.000 1.066 91 M CA 1.429 56.598 55.300 -0.219 0.000 1.107 91 M CB -0.265 32.252 32.600 -0.138 0.000 1.356 91 M HN 0.003 nan 8.290 nan 0.000 0.406 92 K N 0.581 120.414 120.400 -0.945 0.000 2.515 92 K HA -0.134 4.186 4.320 -0.000 0.000 0.196 92 K C 1.171 177.351 176.600 -0.700 0.000 1.038 92 K CA 0.975 56.319 56.287 -1.572 0.000 0.967 92 K CB 0.124 31.920 32.500 -1.174 0.000 0.780 92 K HN 0.418 nan 8.250 nan 0.000 0.483 93 E N 0.160 120.145 120.200 -0.358 0.000 2.442 93 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 93 E C -0.165 176.403 176.600 -0.053 0.000 1.030 93 E CA -0.008 56.301 56.400 -0.153 0.000 0.869 93 E CB 0.328 29.961 29.700 -0.113 0.000 0.857 93 E HN 0.177 nan 8.360 nan 0.000 0.505 94 E N 1.569 121.751 120.200 -0.030 0.000 2.373 94 E HA -0.016 4.334 4.350 -0.000 0.000 0.267 94 E C -0.863 175.835 176.600 0.163 0.000 1.032 94 E CA 0.016 56.458 56.400 0.071 0.000 0.889 94 E CB 0.771 30.530 29.700 0.098 0.000 0.984 94 E HN -0.130 nan 8.360 nan 0.000 0.425 95 D N 2.137 122.596 120.400 0.099 0.000 2.468 95 D HA 0.502 5.142 4.640 -0.000 0.000 0.218 95 D C -1.398 174.938 176.300 0.060 0.000 1.155 95 D CA -0.052 54.002 54.000 0.089 0.000 0.924 95 D CB -0.116 40.710 40.800 0.045 0.000 1.029 95 D HN 0.451 nan 8.370 nan 0.000 0.515 96 A N 2.907 125.773 122.820 0.077 0.000 2.586 96 A HA 0.316 4.636 4.320 -0.000 0.000 0.290 96 A C 0.224 177.753 177.584 -0.092 0.000 1.086 96 A CA -0.702 51.327 52.037 -0.013 0.000 0.665 96 A CB 1.014 20.000 19.000 -0.023 0.000 1.279 96 A HN 0.320 nan 8.150 nan 0.000 0.423 97 D N -0.390 119.927 120.400 -0.138 0.000 2.183 97 D HA 0.141 4.781 4.640 -0.000 0.000 0.205 97 D C 0.056 176.196 176.300 -0.267 0.000 0.962 97 D CA 1.433 55.316 54.000 -0.194 0.000 0.849 97 D CB 0.239 40.964 40.800 -0.124 0.000 0.978 97 D HN 0.385 nan 8.370 nan 0.000 0.488 98 L N 0.835 121.941 121.223 -0.195 0.000 2.431 98 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 98 L C -0.968 175.860 176.870 -0.070 0.000 0.978 98 L CA -0.743 53.998 54.840 -0.164 0.000 0.822 98 L CB 3.242 45.214 42.059 -0.145 0.000 1.310 98 L HN -0.355 nan 8.230 nan 0.000 0.409 99 V N 4.019 123.969 119.914 0.061 0.000 2.495 99 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 99 V C -0.190 175.963 176.094 0.098 0.000 1.031 99 V CA -0.340 62.030 62.300 0.116 0.000 0.871 99 V CB 2.300 34.295 31.823 0.286 0.000 0.988 99 V HN 0.499 nan 8.190 nan 0.000 0.432 100 I N 3.681 124.265 120.570 0.024 0.000 2.378 100 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 100 I C -0.224 175.921 176.117 0.045 0.000 0.992 100 I CA -0.086 61.224 61.300 0.016 0.000 1.154 100 I CB 2.095 39.992 38.000 -0.172 0.000 1.315 100 I HN 0.530 nan 8.210 nan 0.000 0.448 101 T N 7.135 121.768 114.554 0.132 0.000 2.890 101 T HA 0.353 4.703 4.350 -0.000 0.000 0.295 101 T C -2.604 172.206 174.700 0.183 0.000 0.993 101 T CA -1.239 60.931 62.100 0.117 0.000 0.979 101 T CB 1.800 70.724 68.868 0.094 0.000 0.967 101 T HN 0.317 nan 8.240 nan 0.000 0.441 102 P HA 0.268 nan 4.420 nan 0.000 0.269 102 P C -0.907 176.458 177.300 0.109 0.000 1.209 102 P CA -0.314 62.902 63.100 0.193 0.000 0.776 102 P CB 0.829 32.610 31.700 0.136 0.000 0.876 103 V N 3.311 123.287 119.914 0.105 0.000 2.483 103 V HA 0.156 4.276 4.120 -0.000 0.000 0.297 103 V C 0.552 176.621 176.094 -0.042 0.000 1.027 103 V CA -0.412 61.909 62.300 0.036 0.000 0.855 103 V CB 1.615 33.480 31.823 0.069 0.000 0.995 103 V HN 0.448 nan 8.190 nan 0.000 0.424 104 E N 4.064 124.163 120.200 -0.169 0.000 2.122 104 E HA 0.240 4.590 4.350 -0.000 0.000 0.288 104 E C 0.992 177.589 176.600 -0.005 0.000 1.260 104 E CA 0.001 56.176 56.400 -0.375 0.000 1.344 104 E CB 1.061 30.463 29.700 -0.496 0.000 1.337 104 E HN 0.860 nan 8.360 nan 0.000 0.484 105 G N 1.253 110.123 108.800 0.116 0.000 3.453 105 G HA2 0.006 3.966 3.960 -0.000 0.000 0.263 105 G HA3 0.006 3.966 3.960 -0.000 0.000 0.263 105 G C 0.832 175.817 174.900 0.143 0.000 1.060 105 G CA -0.727 44.440 45.100 0.112 0.000 0.793 105 G HN 0.321 nan 8.290 nan 0.000 0.532 106 R N -0.359 120.292 120.500 0.252 0.000 3.251 106 R HA -0.252 4.088 4.340 -0.000 0.000 0.249 106 R C 1.412 177.741 176.300 0.049 0.000 0.949 106 R CA 0.752 56.925 56.100 0.122 0.000 0.645 106 R CB -1.646 28.695 30.300 0.069 0.000 1.065 106 R HN 0.391 nan 8.270 nan 0.000 0.452 107 A N -0.289 122.568 122.820 0.061 0.000 2.206 107 A HA 0.183 4.503 4.320 -0.000 0.000 0.211 107 A C 0.311 177.882 177.584 -0.021 0.000 1.158 107 A CA 0.528 52.573 52.037 0.015 0.000 0.761 107 A CB 0.287 19.295 19.000 0.013 0.000 0.801 107 A HN 0.189 nan 8.150 nan 0.000 0.473 108 L N -0.200 121.001 121.223 -0.037 0.000 2.356 108 L HA 0.335 4.675 4.340 -0.000 0.000 0.277 108 L C 0.015 176.824 176.870 -0.102 0.000 0.996 108 L CA -0.631 54.165 54.840 -0.073 0.000 0.822 108 L CB 1.765 43.774 42.059 -0.084 0.000 1.256 108 L HN 0.362 nan 8.230 nan 0.000 0.413 109 E N 3.386 123.531 120.200 -0.092 0.000 2.290 109 E HA 0.493 4.843 4.350 -0.000 0.000 0.277 109 E C -1.534 174.990 176.600 -0.128 0.000 1.035 109 E CA -0.110 56.232 56.400 -0.096 0.000 0.873 109 E CB 0.795 30.451 29.700 -0.073 0.000 1.029 109 E HN 0.432 nan 8.360 nan 0.000 0.419 110 V N 3.294 123.118 119.914 -0.151 0.000 3.048 110 V HA 0.188 4.308 4.120 -0.000 0.000 0.303 110 V C -0.515 175.479 176.094 -0.167 0.000 1.214 110 V CA -0.965 61.222 62.300 -0.187 0.000 0.984 110 V CB 2.512 34.161 31.823 -0.290 0.000 1.054 110 V HN 0.704 nan 8.190 nan 0.000 0.430 111 T N 2.274 116.734 114.554 -0.156 0.000 3.016 111 T HA 0.206 4.556 4.350 -0.000 0.000 0.335 111 T C 1.229 175.834 174.700 -0.159 0.000 1.176 111 T CA -0.062 61.963 62.100 -0.125 0.000 0.987 111 T CB 1.012 69.826 68.868 -0.090 0.000 1.073 111 T HN 0.448 nan 8.240 nan 0.000 0.547 112 V N 3.392 123.204 119.914 -0.170 0.000 2.311 112 V HA -0.259 3.861 4.120 -0.000 0.000 0.256 112 V C 2.579 178.588 176.094 -0.142 0.000 1.077 112 V CA 2.639 64.826 62.300 -0.189 0.000 1.067 112 V CB -0.754 30.991 31.823 -0.130 0.000 0.659 112 V HN 0.938 nan 8.190 nan 0.000 0.451 113 G N -1.985 106.763 108.800 -0.087 0.000 2.598 113 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 113 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 113 G C 1.373 176.246 174.900 -0.045 0.000 1.131 113 G CA 0.448 45.518 45.100 -0.050 0.000 0.785 113 G HN 0.602 nan 8.290 nan 0.000 0.539 114 Q N -0.172 119.585 119.800 -0.071 0.000 2.245 114 Q HA 0.011 4.351 4.340 -0.000 0.000 0.201 114 Q C 0.518 176.502 176.000 -0.027 0.000 0.955 114 Q CA 0.170 55.946 55.803 -0.046 0.000 0.870 114 Q CB 0.087 28.791 28.738 -0.056 0.000 0.945 114 Q HN 0.358 nan 8.270 nan 0.000 0.461 115 N N -0.043 118.600 118.700 -0.096 0.000 2.740 115 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 115 N C 0.176 175.773 175.510 0.146 0.000 1.062 115 N CA 0.661 53.698 53.050 -0.023 0.000 0.704 115 N CB -1.134 37.461 38.487 0.180 0.000 0.968 115 N HN 0.324 nan 8.380 nan 0.000 0.547 116 L N -1.338 119.891 121.223 0.011 0.000 2.467 116 L HA 0.106 4.446 4.340 -0.000 0.000 0.213 116 L C 0.579 177.568 176.870 0.198 0.000 1.053 116 L CA 0.875 55.819 54.840 0.173 0.000 0.847 116 L CB 0.346 42.449 42.059 0.075 0.000 1.075 116 L HN -0.024 nan 8.230 nan 0.000 0.479 117 T N 0.413 114.894 114.554 -0.123 0.000 2.792 117 T HA 0.553 4.903 4.350 -0.000 0.000 0.280 117 T C -1.029 173.380 174.700 -0.484 0.000 0.990 117 T CA -0.180 61.827 62.100 -0.154 0.000 0.960 117 T CB 1.363 70.128 68.868 -0.172 0.000 0.939 117 T HN -0.233 nan 8.240 nan 0.000 0.439 118 F N 1.430 121.225 119.950 -0.259 0.000 2.532 118 F HA 0.472 4.999 4.527 -0.000 0.000 0.321 118 F C 0.474 176.052 175.800 -0.370 0.000 1.089 118 F CA -1.146 56.525 58.000 -0.548 0.000 0.926 118 F CB 1.791 40.035 39.000 -1.259 0.000 1.168 118 F HN 0.463 nan 8.300 nan 0.000 0.459 119 E N 0.904 121.050 120.200 -0.091 0.000 2.197 119 E HA 0.531 4.881 4.350 -0.000 0.000 0.281 119 E C 0.271 177.168 176.600 0.495 0.000 0.995 119 E CA -0.314 56.183 56.400 0.161 0.000 0.808 119 E CB 1.374 31.091 29.700 0.029 0.000 1.093 119 E HN 0.873 nan 8.360 nan 0.000 0.394 120 G N 3.082 112.210 108.800 0.546 0.000 3.519 120 G HA2 0.025 3.985 3.960 -0.000 0.000 0.269 120 G HA3 0.025 3.985 3.960 -0.000 0.000 0.269 120 G C 0.104 175.277 174.900 0.454 0.000 1.028 120 G CA -0.215 45.233 45.100 0.581 0.000 0.809 120 G HN 0.520 nan 8.290 nan 0.000 0.521 121 T N 1.989 116.720 114.554 0.295 0.000 2.867 121 T HA 0.303 4.653 4.350 -0.000 0.000 0.290 121 T C -0.387 174.457 174.700 0.240 0.000 1.025 121 T CA 0.826 63.005 62.100 0.132 0.000 1.146 121 T CB -0.084 68.841 68.868 0.096 0.000 1.024 121 T HN 0.443 nan 8.240 nan 0.000 0.519 122 F N 0.040 120.105 119.950 0.193 0.000 2.645 122 F HA 0.754 5.280 4.527 -0.000 0.000 0.310 122 F C -0.752 175.145 175.800 0.161 0.000 1.102 122 F CA -1.704 56.391 58.000 0.157 0.000 0.952 122 F CB 1.553 40.644 39.000 0.152 0.000 1.326 122 F HN 0.478 nan 8.300 nan 0.000 0.456 123 K N 1.247 121.870 120.400 0.370 0.000 2.281 123 K HA 0.875 5.195 4.320 -0.000 0.000 0.242 123 K C -1.673 175.135 176.600 0.346 0.000 0.971 123 K CA -1.106 55.338 56.287 0.261 0.000 0.834 123 K CB 2.638 35.236 32.500 0.163 0.000 1.181 123 K HN 1.016 nan 8.250 nan 0.000 0.435 124 V N 0.641 120.717 119.914 0.271 0.000 2.808 124 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 124 V C -2.063 174.174 176.094 0.238 0.000 1.099 124 V CA -0.654 61.792 62.300 0.243 0.000 0.920 124 V CB 1.429 33.380 31.823 0.214 0.000 1.014 124 V HN 0.926 nan 8.190 nan 0.000 0.425 125 W N 5.996 127.319 121.300 0.039 0.000 2.331 125 W HA 0.474 5.134 4.660 -0.000 0.000 0.306 125 W C 0.164 176.691 176.519 0.013 0.000 1.162 125 W CA -0.757 56.601 57.345 0.023 0.000 1.232 125 W CB 0.850 30.319 29.460 0.013 0.000 1.235 125 W HN 0.850 nan 8.180 nan 0.000 0.479 126 N N 5.180 123.693 118.700 -0.312 0.000 2.555 126 N HA -0.009 4.731 4.740 -0.000 0.000 0.244 126 N C 0.098 175.156 175.510 -0.753 0.000 1.114 126 N CA -0.037 52.768 53.050 -0.408 0.000 0.963 126 N CB -0.104 38.286 38.487 -0.161 0.000 1.276 126 N HN 0.692 nan 8.380 nan 0.000 0.510 127 N N 2.815 120.872 118.700 -1.071 0.000 2.466 127 N HA 0.041 4.781 4.740 -0.000 0.000 0.251 127 N C -0.859 174.382 175.510 -0.448 0.000 1.164 127 N CA -0.025 52.388 53.050 -1.062 0.000 0.888 127 N CB 0.388 37.969 38.487 -1.509 0.000 1.177 127 N HN 0.379 nan 8.380 nan 0.000 0.498 128 T N -0.885 113.504 114.554 -0.277 0.000 2.932 128 T HA 0.099 4.449 4.350 -0.000 0.000 0.289 128 T C 1.152 175.809 174.700 -0.073 0.000 1.039 128 T CA -0.665 61.363 62.100 -0.120 0.000 1.024 128 T CB 1.727 70.606 68.868 0.018 0.000 1.090 128 T HN 0.209 nan 8.240 nan 0.000 0.496 129 S N 0.801 116.457 115.700 -0.073 0.000 2.720 129 S HA 0.134 4.604 4.470 -0.000 0.000 0.222 129 S C 0.595 175.172 174.600 -0.040 0.000 0.958 129 S CA -0.071 58.093 58.200 -0.059 0.000 0.943 129 S CB -0.163 62.993 63.200 -0.074 0.000 0.779 129 S HN 0.609 nan 8.310 nan 0.000 0.526 130 R N 0.727 121.232 120.500 0.010 0.000 2.643 130 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 130 R C -1.344 175.076 176.300 0.200 0.000 1.037 130 R CA -0.758 55.386 56.100 0.073 0.000 0.894 130 R CB 1.146 31.439 30.300 -0.013 0.000 1.238 130 R HN 0.174 nan 8.270 nan 0.000 0.459 131 K N 3.745 124.225 120.400 0.134 0.000 2.511 131 K HA 0.029 4.349 4.320 -0.000 0.000 0.280 131 K C -0.646 176.005 176.600 0.085 0.000 1.008 131 K CA 0.331 56.671 56.287 0.089 0.000 1.050 131 K CB 0.381 32.918 32.500 0.061 0.000 0.889 131 K HN 0.491 nan 8.250 nan 0.000 0.484 132 I N 3.741 124.272 120.570 -0.065 0.000 2.648 132 I HA 0.261 4.431 4.170 -0.000 0.000 0.304 132 I C -0.925 175.067 176.117 -0.208 0.000 1.009 132 I CA -0.916 60.192 61.300 -0.321 0.000 1.114 132 I CB 1.530 39.237 38.000 -0.489 0.000 1.293 132 I HN 0.715 nan 8.210 nan 0.000 0.449 133 N N 7.676 126.225 118.700 -0.252 0.000 2.296 133 N HA 0.468 5.208 4.740 -0.000 0.000 0.294 133 N C -1.268 174.125 175.510 -0.196 0.000 1.033 133 N CA -0.377 52.585 53.050 -0.147 0.000 0.839 133 N CB 2.498 40.940 38.487 -0.075 0.000 1.395 133 N HN 0.401 nan 8.380 nan 0.000 0.479 134 I N 1.440 121.907 120.570 -0.171 0.000 2.330 134 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 134 I C 0.896 176.898 176.117 -0.191 0.000 1.025 134 I CA -0.307 60.788 61.300 -0.341 0.000 1.197 134 I CB 1.053 38.717 38.000 -0.561 0.000 1.358 134 I HN 0.574 nan 8.210 nan 0.000 0.467 135 T N 0.574 115.060 114.554 -0.114 0.000 3.200 135 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 135 T C 0.287 174.981 174.700 -0.010 0.000 1.009 135 T CA -0.453 61.703 62.100 0.093 0.000 0.907 135 T CB 0.463 69.428 68.868 0.162 0.000 1.120 135 T HN 0.702 nan 8.240 nan 0.000 0.534 136 G N 0.920 109.506 108.800 -0.356 0.000 2.579 136 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 136 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 136 G C -2.070 172.480 174.900 -0.584 0.000 1.484 136 G CA -0.734 43.933 45.100 -0.721 0.000 0.813 136 G HN 0.315 nan 8.290 nan 0.000 0.515 137 M N 0.957 120.220 119.600 -0.561 0.000 2.414 137 M HA 0.565 5.045 4.480 -0.000 0.000 0.287 137 M C -2.189 174.169 176.300 0.096 0.000 1.181 137 M CA -0.510 54.748 55.300 -0.070 0.000 0.933 137 M CB 2.086 34.761 32.600 0.125 0.000 1.732 137 M HN 0.798 nan 8.290 nan 0.000 0.486 138 Q N 4.205 124.084 119.800 0.132 0.000 2.331 138 Q HA 0.553 4.893 4.340 -0.000 0.000 0.272 138 Q C -1.876 174.216 176.000 0.153 0.000 1.062 138 Q CA -0.668 55.222 55.803 0.144 0.000 0.806 138 Q CB 2.435 31.245 28.738 0.120 0.000 1.312 138 Q HN 0.786 nan 8.270 nan 0.000 0.431 139 M N 4.073 123.737 119.600 0.107 0.000 2.047 139 M HA 0.331 4.811 4.480 -0.000 0.000 0.342 139 M C -1.285 175.161 176.300 0.243 0.000 1.058 139 M CA -0.513 54.831 55.300 0.075 0.000 0.991 139 M CB 1.301 33.840 32.600 -0.102 0.000 1.474 139 M HN 0.442 nan 8.290 nan 0.000 0.419 140 V N 7.260 127.365 119.914 0.318 0.000 2.370 140 V HA 0.346 4.466 4.120 -0.000 0.000 0.279 140 V C -2.149 174.179 176.094 0.390 0.000 1.029 140 V CA -1.739 60.756 62.300 0.324 0.000 0.870 140 V CB 1.309 33.306 31.823 0.290 0.000 0.984 140 V HN 0.604 nan 8.190 nan 0.000 0.451 141 P HA 0.110 nan 4.420 nan 0.000 0.267 141 P C -0.439 176.828 177.300 -0.055 0.000 1.205 141 P CA -0.180 62.983 63.100 0.103 0.000 0.765 141 P CB 0.459 32.322 31.700 0.272 0.000 0.828 142 K N 4.330 124.608 120.400 -0.203 0.000 2.322 142 K HA 0.232 4.552 4.320 -0.000 0.000 0.283 142 K C -0.131 176.434 176.600 -0.058 0.000 1.042 142 K CA -0.457 55.760 56.287 -0.117 0.000 0.958 142 K CB 0.127 32.542 32.500 -0.141 0.000 0.984 142 K HN 0.409 nan 8.250 nan 0.000 0.473 143 I N 5.068 125.621 120.570 -0.028 0.000 2.517 143 I HA -0.081 4.089 4.170 -0.000 0.000 0.285 143 I C 0.623 176.747 176.117 0.012 0.000 1.106 143 I CA -0.442 60.881 61.300 0.040 0.000 1.402 143 I CB 0.234 38.243 38.000 0.016 0.000 1.399 143 I HN 0.753 nan 8.210 nan 0.000 0.535 144 N N 7.880 126.593 118.700 0.021 0.000 2.364 144 N HA 0.266 5.006 4.740 -0.000 0.000 0.264 144 N C -2.156 173.355 175.510 0.001 0.000 1.263 144 N CA -1.873 51.173 53.050 -0.007 0.000 0.959 144 N CB -0.244 38.232 38.487 -0.019 0.000 1.204 144 N HN 0.160 nan 8.380 nan 0.000 0.550 145 P HA -0.025 nan 4.420 nan 0.000 0.219 145 P C 0.331 177.632 177.300 0.001 0.000 1.146 145 P CA 1.267 64.364 63.100 -0.004 0.000 0.808 145 P CB 0.108 31.803 31.700 -0.009 0.000 0.779 146 S N -0.928 114.772 115.700 0.001 0.000 2.631 146 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 146 S C 0.492 175.100 174.600 0.013 0.000 0.958 146 S CA 0.016 58.217 58.200 0.002 0.000 0.920 146 S CB -0.697 62.500 63.200 -0.006 0.000 0.776 146 S HN 0.200 nan 8.310 nan 0.000 0.517 147 K N -0.335 120.081 120.400 0.026 0.000 3.192 147 K HA -0.181 4.139 4.320 -0.000 0.000 0.278 147 K C -0.101 176.551 176.600 0.086 0.000 1.164 147 K CA 0.541 56.860 56.287 0.053 0.000 0.816 147 K CB -2.103 30.422 32.500 0.042 0.000 1.256 147 K HN 0.438 nan 8.250 nan 0.000 0.497 148 A N 0.708 123.572 122.820 0.073 0.000 2.386 148 A HA 0.918 5.238 4.320 -0.000 0.000 0.308 148 A C -0.533 177.135 177.584 0.140 0.000 1.128 148 A CA -0.719 51.346 52.037 0.046 0.000 0.789 148 A CB 0.914 19.890 19.000 -0.040 0.000 1.325 148 A HN 0.441 nan 8.150 nan 0.000 0.437 149 F N -1.295 118.635 119.950 -0.034 0.000 2.654 149 F HA 0.611 5.138 4.527 -0.000 0.000 0.308 149 F C -0.947 174.835 175.800 -0.031 0.000 1.108 149 F CA -1.276 56.694 58.000 -0.051 0.000 0.957 149 F CB 0.904 39.885 39.000 -0.031 0.000 1.309 149 F HN 0.288 nan 8.300 nan 0.000 0.446 150 V N 2.502 122.462 119.914 0.078 0.000 2.434 150 V HA 0.308 4.428 4.120 -0.000 0.000 0.281 150 V C 0.945 177.128 176.094 0.149 0.000 1.005 150 V CA 1.062 63.381 62.300 0.032 0.000 1.089 150 V CB 0.346 32.188 31.823 0.031 0.000 0.978 150 V HN 1.100 nan 8.190 nan 0.000 0.474 151 G N 3.379 112.160 108.800 -0.032 0.000 3.605 151 G HA2 0.213 4.173 3.960 -0.000 0.000 0.277 151 G HA3 0.213 4.173 3.960 -0.000 0.000 0.277 151 G C 0.609 175.578 174.900 0.116 0.000 1.093 151 G CA 0.382 45.511 45.100 0.050 0.000 0.821 151 G HN 0.742 nan 8.290 nan 0.000 0.532 152 S N 0.178 115.970 115.700 0.154 0.000 2.641 152 S HA 0.484 4.954 4.470 -0.000 0.000 0.261 152 S C 0.875 175.604 174.600 0.214 0.000 1.257 152 S CA 0.106 58.403 58.200 0.162 0.000 0.983 152 S CB 0.882 64.187 63.200 0.175 0.000 0.990 152 S HN 0.668 nan 8.310 nan 0.000 0.572 153 S N 0.867 116.671 115.700 0.172 0.000 2.558 153 S HA 0.146 4.616 4.470 -0.000 0.000 0.288 153 S C -0.175 174.538 174.600 0.189 0.000 1.318 153 S CA -0.617 57.672 58.200 0.148 0.000 1.056 153 S CB -0.348 62.910 63.200 0.096 0.000 0.853 153 S HN 0.826 nan 8.310 nan 0.000 0.505 154 N N 1.544 120.319 118.700 0.125 0.000 2.549 154 N HA 0.279 5.019 4.740 -0.000 0.000 0.281 154 N C -1.850 173.637 175.510 -0.039 0.000 1.084 154 N CA -0.315 52.760 53.050 0.042 0.000 0.862 154 N CB 1.856 40.465 38.487 0.203 0.000 1.333 154 N HN 0.698 nan 8.380 nan 0.000 0.523 155 T N 1.670 116.144 114.554 -0.134 0.000 2.864 155 T HA 0.405 4.755 4.350 -0.000 0.000 0.299 155 T C -0.353 174.286 174.700 -0.102 0.000 1.011 155 T CA -0.337 61.714 62.100 -0.081 0.000 0.975 155 T CB 0.930 69.762 68.868 -0.060 0.000 0.962 155 T HN 0.255 nan 8.240 nan 0.000 0.448 156 S N 2.275 117.957 115.700 -0.029 0.000 2.651 156 S HA 0.856 5.326 4.470 -0.000 0.000 0.291 156 S C 0.049 174.667 174.600 0.030 0.000 1.141 156 S CA -0.856 57.360 58.200 0.026 0.000 1.027 156 S CB 1.304 64.577 63.200 0.121 0.000 1.043 156 S HN 0.872 nan 8.310 nan 0.000 0.530 157 S N 0.883 116.602 115.700 0.032 0.000 2.588 157 S HA 0.925 5.395 4.470 -0.000 0.000 0.275 157 S C -1.124 173.453 174.600 -0.039 0.000 1.130 157 S CA -0.912 57.206 58.200 -0.138 0.000 0.855 157 S CB 1.295 64.399 63.200 -0.160 0.000 1.116 157 S HN 0.830 nan 8.310 nan 0.000 0.472 158 F N -2.254 117.614 119.950 -0.137 0.000 2.807 158 F HA 0.759 5.286 4.527 -0.000 0.000 0.316 158 F C -1.305 174.344 175.800 -0.252 0.000 1.162 158 F CA -0.895 56.917 58.000 -0.314 0.000 0.910 158 F CB 1.094 39.864 39.000 -0.382 0.000 1.314 158 F HN 0.501 nan 8.300 nan 0.000 0.454 159 T N 2.400 116.881 114.554 -0.123 0.000 2.864 159 T HA 0.497 4.847 4.350 -0.000 0.000 0.310 159 T C -2.832 171.964 174.700 0.161 0.000 1.040 159 T CA -1.226 60.862 62.100 -0.020 0.000 0.977 159 T CB 1.295 70.114 68.868 -0.082 0.000 0.976 159 T HN 0.311 nan 8.240 nan 0.000 0.459 160 P HA 0.219 nan 4.420 nan 0.000 0.267 160 P C -0.838 176.619 177.300 0.261 0.000 1.201 160 P CA -0.309 63.040 63.100 0.416 0.000 0.775 160 P CB 0.604 32.495 31.700 0.319 0.000 0.854 161 V N 1.537 121.596 119.914 0.241 0.000 2.932 161 V HA 0.569 4.689 4.120 -0.000 0.000 0.307 161 V C -1.080 175.058 176.094 0.074 0.000 1.147 161 V CA -0.467 61.919 62.300 0.143 0.000 0.951 161 V CB 2.379 34.295 31.823 0.155 0.000 1.031 161 V HN 0.662 nan 8.190 nan 0.000 0.426 162 S N 6.807 122.538 115.700 0.051 0.000 2.454 162 S HA 0.802 5.272 4.470 -0.000 0.000 0.306 162 S C -0.823 173.791 174.600 0.023 0.000 1.100 162 S CA -0.668 57.545 58.200 0.021 0.000 1.087 162 S CB 1.364 64.580 63.200 0.026 0.000 1.019 162 S HN 0.674 nan 8.310 nan 0.000 0.480 163 I N 2.670 123.243 120.570 0.004 0.000 2.410 163 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 163 I C -0.636 175.490 176.117 0.015 0.000 1.009 163 I CA -0.781 60.530 61.300 0.018 0.000 1.111 163 I CB 1.535 39.546 38.000 0.017 0.000 1.262 163 I HN 0.559 nan 8.210 nan 0.000 0.443 164 D N 5.180 125.600 120.400 0.033 0.000 2.371 164 D HA 0.108 4.748 4.640 -0.000 0.000 0.242 164 D C 0.131 176.450 176.300 0.031 0.000 1.218 164 D CA -0.180 53.841 54.000 0.035 0.000 0.945 164 D CB 0.683 41.508 40.800 0.041 0.000 1.137 164 D HN 0.446 nan 8.370 nan 0.000 0.464 165 E N 0.341 120.557 120.200 0.026 0.000 2.558 165 E HA -0.080 4.270 4.350 -0.000 0.000 0.255 165 E C 0.140 176.765 176.600 0.042 0.000 0.968 165 E CA 0.541 56.947 56.400 0.009 0.000 0.939 165 E CB 0.240 29.948 29.700 0.012 0.000 0.921 165 E HN 0.413 nan 8.360 nan 0.000 0.477 166 D N 1.288 121.700 120.400 0.020 0.000 2.978 166 D HA -0.205 4.435 4.640 -0.000 0.000 0.205 166 D C -0.593 175.924 176.300 0.361 0.000 1.093 166 D CA 1.608 55.744 54.000 0.226 0.000 1.006 166 D CB -0.423 40.524 40.800 0.244 0.000 1.116 166 D HN 0.575 nan 8.370 nan 0.000 0.419 167 E N -0.571 119.752 120.200 0.205 0.000 2.342 167 E HA 0.464 4.814 4.350 -0.000 0.000 0.257 167 E C -0.199 176.568 176.600 0.279 0.000 1.150 167 E CA -0.649 55.875 56.400 0.207 0.000 0.926 167 E CB 1.618 31.387 29.700 0.116 0.000 1.074 167 E HN -0.020 nan 8.360 nan 0.000 0.449 168 V N 0.937 120.979 119.914 0.213 0.000 2.444 168 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 168 V C 0.159 176.332 176.094 0.131 0.000 1.022 168 V CA -0.608 61.815 62.300 0.204 0.000 0.850 168 V CB 1.576 33.497 31.823 0.163 0.000 0.992 168 V HN 0.749 nan 8.190 nan 0.000 0.426 169 G N 2.171 111.045 108.800 0.124 0.000 2.498 169 G HA2 0.718 4.678 3.960 -0.000 0.000 0.312 169 G HA3 0.718 4.678 3.960 -0.000 0.000 0.312 169 G C -0.420 174.537 174.900 0.097 0.000 1.230 169 G CA -0.517 44.640 45.100 0.094 0.000 0.968 169 G HN 0.707 nan 8.290 nan 0.000 0.481 170 T N -1.639 112.957 114.554 0.070 0.000 2.794 170 T HA 0.583 4.933 4.350 -0.000 0.000 0.280 170 T C -1.085 173.631 174.700 0.026 0.000 0.987 170 T CA -0.650 61.475 62.100 0.041 0.000 0.993 170 T CB 1.553 70.437 68.868 0.025 0.000 0.939 170 T HN 0.369 nan 8.240 nan 0.000 0.449 171 F N 4.533 124.300 119.950 -0.304 0.000 2.293 171 F HA 0.530 5.057 4.527 -0.000 0.000 0.370 171 F C -0.509 175.085 175.800 -0.343 0.000 1.090 171 F CA -1.439 56.330 58.000 -0.386 0.000 1.133 171 F CB 0.388 38.959 39.000 -0.716 0.000 1.360 171 F HN 0.489 nan 8.300 nan 0.000 0.489 172 V N 5.905 125.542 119.914 -0.461 0.000 2.572 172 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 172 V C 0.267 176.039 176.094 -0.537 0.000 1.039 172 V CA -0.008 62.078 62.300 -0.357 0.000 1.055 172 V CB 0.137 31.844 31.823 -0.194 0.000 0.969 172 V HN 0.984 nan 8.190 nan 0.000 0.482 173 C N 2.695 121.824 119.300 -0.285 0.000 3.307 173 C HA 1.025 5.485 4.460 -0.000 0.000 0.333 173 C C -0.098 174.938 174.990 0.077 0.000 1.291 173 C CA -0.046 58.886 59.018 -0.144 0.000 1.273 173 C CB 1.172 28.812 27.740 -0.166 0.000 1.580 173 C HN 1.336 nan 8.230 nan 0.000 0.481 174 G N 0.352 109.233 108.800 0.134 0.000 2.495 174 G HA2 0.780 4.739 3.960 -0.000 0.000 0.294 174 G HA3 0.780 4.739 3.960 -0.000 0.000 0.294 174 G C -1.468 173.537 174.900 0.175 0.000 1.397 174 G CA -0.211 45.020 45.100 0.218 0.000 0.790 174 G HN 1.155 nan 8.290 nan 0.000 0.486 175 T N 0.156 114.823 114.554 0.188 0.000 2.933 175 T HA 0.692 5.042 4.350 -0.000 0.000 0.305 175 T C -0.838 173.711 174.700 -0.252 0.000 1.092 175 T CA -0.428 61.627 62.100 -0.074 0.000 1.008 175 T CB 1.996 70.774 68.868 -0.149 0.000 1.102 175 T HN 0.540 nan 8.240 nan 0.000 0.469 176 T N 2.765 117.105 114.554 -0.357 0.000 2.792 176 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 176 T C -0.853 173.632 174.700 -0.358 0.000 0.990 176 T CA -0.423 61.530 62.100 -0.244 0.000 0.960 176 T CB 0.265 69.068 68.868 -0.107 0.000 0.939 176 T HN 0.337 nan 8.240 nan 0.000 0.439 177 F N 0.477 120.497 119.950 0.117 0.000 2.432 177 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 177 F C 1.619 177.476 175.800 0.096 0.000 1.076 177 F CA -0.928 57.148 58.000 0.127 0.000 1.018 177 F CB 1.048 40.154 39.000 0.177 0.000 1.201 177 F HN 0.675 nan 8.300 nan 0.000 0.489 178 G N 0.639 109.605 108.800 0.276 0.000 2.598 178 G HA2 0.343 4.303 3.960 -0.000 0.000 0.215 178 G HA3 0.343 4.303 3.960 -0.000 0.000 0.215 178 G C 0.065 175.056 174.900 0.152 0.000 1.131 178 G CA 0.720 45.920 45.100 0.167 0.000 0.785 178 G HN 0.758 nan 8.290 nan 0.000 0.539 179 A N -0.581 122.354 122.820 0.193 0.000 2.539 179 A HA 0.759 5.079 4.320 -0.000 0.000 0.296 179 A C -2.996 174.679 177.584 0.151 0.000 1.073 179 A CA -1.397 50.719 52.037 0.133 0.000 0.700 179 A CB 1.297 20.354 19.000 0.095 0.000 1.296 179 A HN -0.021 nan 8.150 nan 0.000 0.405 180 P HA 0.176 nan 4.420 nan 0.000 0.266 180 P C -0.480 176.877 177.300 0.095 0.000 1.195 180 P CA 0.068 63.240 63.100 0.120 0.000 0.768 180 P CB 0.255 32.003 31.700 0.080 0.000 0.838 181 I N 2.230 122.878 120.570 0.129 0.000 2.428 181 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 181 I C 0.675 176.817 176.117 0.042 0.000 1.019 181 I CA -0.294 61.017 61.300 0.017 0.000 1.351 181 I CB 0.372 38.315 38.000 -0.096 0.000 1.412 181 I HN 0.361 nan 8.210 nan 0.000 0.513 182 A N 4.468 127.283 122.820 -0.008 0.000 2.498 182 A HA 0.741 5.061 4.320 -0.000 0.000 0.298 182 A C 0.469 178.037 177.584 -0.026 0.000 1.075 182 A CA -0.143 51.896 52.037 0.002 0.000 0.714 182 A CB 1.484 20.486 19.000 0.004 0.000 1.299 182 A HN 0.756 nan 8.150 nan 0.000 0.407 183 A N 0.463 123.276 122.820 -0.012 0.000 2.119 183 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 183 A C 1.146 178.712 177.584 -0.031 0.000 1.153 183 A CA 1.479 53.503 52.037 -0.023 0.000 0.692 183 A CB -0.826 18.173 19.000 -0.003 0.000 0.799 183 A HN 0.871 nan 8.150 nan 0.000 0.458 184 T N 0.835 115.374 114.554 -0.025 0.000 2.933 184 T HA 0.308 4.658 4.350 -0.000 0.000 0.306 184 T C 1.089 175.765 174.700 -0.040 0.000 1.045 184 T CA 0.890 62.975 62.100 -0.026 0.000 1.143 184 T CB 0.352 69.208 68.868 -0.020 0.000 1.003 184 T HN 1.591 nan 8.240 nan 0.000 0.540 185 A N 2.580 125.378 122.820 -0.036 0.000 2.799 185 A HA -0.001 4.319 4.320 -0.000 0.000 0.287 185 A C 1.709 179.257 177.584 -0.059 0.000 1.484 185 A CA 1.236 53.248 52.037 -0.042 0.000 0.813 185 A CB -2.183 16.792 19.000 -0.042 0.000 1.009 185 A HN 2.575 nan 8.150 nan 0.000 0.545 186 G N -2.572 106.189 108.800 -0.065 0.000 2.203 186 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.263 186 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.263 186 G C 1.749 176.557 174.900 -0.153 0.000 1.012 186 G CA 1.180 46.224 45.100 -0.092 0.000 0.749 186 G HN 2.308 nan 8.290 nan 0.000 0.512 187 G N 0.189 108.907 108.800 -0.137 0.000 2.625 187 G HA2 0.067 4.027 3.960 -0.000 0.000 0.214 187 G HA3 0.067 4.027 3.960 -0.000 0.000 0.214 187 G C 1.048 175.796 174.900 -0.253 0.000 1.132 187 G CA 1.036 46.026 45.100 -0.183 0.000 0.782 187 G HN 1.072 nan 8.290 nan 0.000 0.538 188 N N -0.998 117.579 118.700 -0.204 0.000 2.204 188 N HA 0.275 5.015 4.740 -0.000 0.000 0.219 188 N C 0.017 175.466 175.510 -0.101 0.000 1.151 188 N CA -0.400 52.585 53.050 -0.108 0.000 0.867 188 N CB 0.228 38.683 38.487 -0.052 0.000 1.043 188 N HN 0.088 nan 8.380 nan 0.000 0.516 189 L N 1.129 122.125 121.223 -0.379 0.000 2.295 189 L HA 0.547 4.887 4.340 -0.000 0.000 0.285 189 L C -1.052 175.447 176.870 -0.619 0.000 1.035 189 L CA -0.767 53.908 54.840 -0.276 0.000 0.806 189 L CB 0.684 42.631 42.059 -0.186 0.000 1.214 189 L HN 0.044 nan 8.230 nan 0.000 0.426 190 F N 0.093 120.033 119.950 -0.017 0.000 2.685 190 F HA 0.417 4.944 4.527 -0.000 0.000 0.315 190 F C -0.472 175.272 175.800 -0.093 0.000 1.126 190 F CA -0.967 57.014 58.000 -0.030 0.000 0.950 190 F CB 1.850 40.828 39.000 -0.036 0.000 1.360 190 F HN 0.301 nan 8.300 nan 0.000 0.469 191 D N 2.193 122.656 120.400 0.106 0.000 2.481 191 D HA 0.263 4.903 4.640 -0.000 0.000 0.246 191 D C -0.999 175.180 176.300 -0.201 0.000 1.109 191 D CA -0.178 53.742 54.000 -0.134 0.000 0.845 191 D CB 2.138 42.831 40.800 -0.180 0.000 1.160 191 D HN 0.459 nan 8.370 nan 0.000 0.534 192 M N 3.403 122.834 119.600 -0.281 0.000 2.108 192 M HA 0.247 4.727 4.480 -0.000 0.000 0.354 192 M C -1.487 174.624 176.300 -0.315 0.000 1.229 192 M CA -0.425 54.747 55.300 -0.214 0.000 1.081 192 M CB 0.511 33.001 32.600 -0.184 0.000 1.606 192 M HN 0.222 nan 8.290 nan 0.000 0.467 193 Y N 4.530 124.814 120.300 -0.027 0.000 2.335 193 Y HA 0.476 5.026 4.550 -0.000 0.000 0.339 193 Y C -0.088 175.799 175.900 -0.021 0.000 0.987 193 Y CA -0.740 57.343 58.100 -0.030 0.000 1.140 193 Y CB 1.304 39.751 38.460 -0.022 0.000 1.173 193 Y HN 0.499 nan 8.280 nan 0.000 0.486 194 V N 0.623 120.575 119.914 0.063 0.000 2.417 194 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 194 V C -0.700 175.374 176.094 -0.032 0.000 1.024 194 V CA -0.875 61.417 62.300 -0.014 0.000 0.861 194 V CB 1.148 32.946 31.823 -0.042 0.000 0.985 194 V HN 0.806 nan 8.190 nan 0.000 0.436 195 H N 3.914 122.886 119.070 -0.164 0.000 2.742 195 H HA 0.685 5.241 4.556 -0.000 0.000 0.302 195 H C -0.678 174.537 175.328 -0.187 0.000 1.069 195 H CA 0.032 55.998 56.048 -0.137 0.000 1.446 195 H CB 1.343 31.035 29.762 -0.117 0.000 1.462 195 H HN 0.734 nan 8.280 nan 0.000 0.499 196 V N 5.657 125.211 119.914 -0.600 0.000 2.540 196 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 196 V C -0.200 175.545 176.094 -0.582 0.000 1.035 196 V CA -0.620 61.383 62.300 -0.495 0.000 0.873 196 V CB 1.940 33.562 31.823 -0.335 0.000 0.992 196 V HN 0.950 nan 8.190 nan 0.000 0.428 197 T N 2.709 116.995 114.554 -0.447 0.000 2.923 197 T HA 0.417 4.767 4.350 -0.000 0.000 0.311 197 T C -0.277 174.260 174.700 -0.272 0.000 1.183 197 T CA -0.282 61.640 62.100 -0.298 0.000 1.020 197 T CB 1.549 70.331 68.868 -0.144 0.000 1.165 197 T HN 0.478 nan 8.240 nan 0.000 0.482 198 Y N 0.903 121.163 120.300 -0.068 0.000 2.466 198 Y HA 0.048 4.598 4.550 -0.000 0.000 0.272 198 Y C 2.572 178.459 175.900 -0.022 0.000 1.169 198 Y CA 0.150 58.223 58.100 -0.045 0.000 1.285 198 Y CB 0.236 38.668 38.460 -0.045 0.000 1.078 198 Y HN 0.755 nan 8.280 nan 0.000 0.523 199 S N 0.005 115.767 115.700 0.102 0.000 2.500 199 S HA 0.205 4.675 4.470 -0.000 0.000 0.210 199 S C 1.256 175.894 174.600 0.063 0.000 1.101 199 S CA 0.488 58.734 58.200 0.078 0.000 1.272 199 S CB -1.077 62.162 63.200 0.066 0.000 1.071 199 S HN 0.584 nan 8.310 nan 0.000 0.397 200 G N -0.625 108.204 108.800 0.048 0.000 2.784 200 G HA2 0.271 4.231 3.960 -0.000 0.000 0.686 200 G HA3 0.271 4.231 3.960 -0.000 0.000 0.686 200 G C -0.515 174.411 174.900 0.043 0.000 1.156 200 G CA -0.425 44.700 45.100 0.042 0.000 0.757 200 G HN 0.875 nan 8.290 nan 0.000 0.642 201 T N 0.000 114.579 114.554 0.041 0.000 3.816 201 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 201 T CA 0.000 62.123 62.100 0.038 0.000 1.349 201 T CB 0.000 68.892 68.868 0.041 0.000 0.612 201 T HN 0.000 nan 8.240 nan 0.000 0.658