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 2f9r_1_C DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.605 177.584 0.036 0.000 1.274 1 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1 A CB 0.000 19.009 19.000 0.014 0.000 0.831 2 D N 0.247 120.690 120.400 0.071 0.000 2.308 2 D HA 0.354 4.994 4.640 -0.000 0.000 0.242 2 D C 0.214 176.605 176.300 0.152 0.000 1.059 2 D CA -0.366 53.693 54.000 0.098 0.000 0.830 2 D CB 1.138 42.005 40.800 0.111 0.000 1.161 2 D HN 0.157 nan 8.370 nan 0.000 0.494 3 N N 2.017 120.775 118.700 0.097 0.000 2.550 3 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 3 N C 0.125 175.724 175.510 0.150 0.000 1.110 3 N CA 0.561 53.672 53.050 0.102 0.000 0.912 3 N CB 0.171 38.672 38.487 0.024 0.000 0.968 3 N HN 0.184 nan 8.380 nan 0.000 0.448 4 R N 0.782 121.349 120.500 0.112 0.000 2.393 4 R HA 0.285 4.625 4.340 -0.000 0.000 0.310 4 R C -0.157 175.992 176.300 -0.253 0.000 0.968 4 R CA -0.797 55.278 56.100 -0.042 0.000 0.867 4 R CB 1.926 32.186 30.300 -0.067 0.000 1.124 4 R HN 0.056 nan 8.270 nan 0.000 0.450 5 R N 4.283 124.433 120.500 -0.583 0.000 2.449 5 R HA 0.111 4.451 4.340 -0.000 0.000 0.296 5 R C -2.123 173.883 176.300 -0.491 0.000 1.047 5 R CA -1.268 54.124 56.100 -1.180 0.000 1.018 5 R CB 0.531 30.372 30.300 -0.765 0.000 0.962 5 R HN 0.311 nan 8.270 nan 0.000 0.428 6 P HA 0.117 nan 4.420 nan 0.000 0.281 6 P C -0.711 176.447 177.300 -0.237 0.000 1.252 6 P CA -0.088 62.838 63.100 -0.289 0.000 0.778 6 P CB 0.853 32.393 31.700 -0.267 0.000 0.895 7 I N 3.088 123.495 120.570 -0.273 0.000 2.441 7 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 7 I C 0.250 176.245 176.117 -0.202 0.000 0.994 7 I CA -0.901 60.335 61.300 -0.107 0.000 1.144 7 I CB 1.268 39.231 38.000 -0.063 0.000 1.314 7 I HN 0.314 nan 8.210 nan 0.000 0.445 8 W N 5.016 126.297 121.300 -0.032 0.000 2.316 8 W HA 0.197 4.857 4.660 -0.000 0.000 0.308 8 W C 0.381 176.939 176.519 0.065 0.000 1.106 8 W CA -0.430 56.946 57.345 0.052 0.000 1.262 8 W CB 1.295 30.837 29.460 0.138 0.000 1.233 8 W HN 0.454 nan 8.180 nan 0.000 0.447 9 N N 4.699 123.510 118.700 0.186 0.000 2.589 9 N HA 0.231 4.971 4.740 -0.000 0.000 0.232 9 N C -1.246 174.386 175.510 0.202 0.000 1.015 9 N CA -0.144 53.000 53.050 0.157 0.000 0.931 9 N CB 0.205 38.745 38.487 0.087 0.000 1.150 9 N HN 0.296 nan 8.380 nan 0.000 0.512 10 L N 2.399 123.765 121.223 0.239 0.000 2.255 10 L HA 0.465 4.805 4.340 -0.000 0.000 0.289 10 L C 0.679 177.655 176.870 0.177 0.000 1.046 10 L CA -0.650 54.338 54.840 0.247 0.000 0.816 10 L CB 1.072 43.310 42.059 0.298 0.000 1.197 10 L HN 0.436 nan 8.230 nan 0.000 0.427 11 A N 3.621 126.486 122.820 0.075 0.000 2.522 11 A HA 0.048 4.368 4.320 -0.000 0.000 0.256 11 A C 0.024 177.526 177.584 -0.137 0.000 1.086 11 A CA -0.082 51.871 52.037 -0.139 0.000 0.763 11 A CB -0.306 18.474 19.000 -0.365 0.000 1.024 11 A HN 0.785 nan 8.150 nan 0.000 0.502 12 H N 3.077 122.002 119.070 -0.241 0.000 2.610 12 H HA 0.265 4.821 4.556 -0.000 0.000 0.336 12 H C 0.508 175.676 175.328 -0.267 0.000 1.087 12 H CA 0.170 56.149 56.048 -0.116 0.000 1.405 12 H CB 0.283 30.011 29.762 -0.057 0.000 1.460 12 H HN 0.860 nan 8.280 nan 0.000 0.538 13 M N 4.367 123.621 119.600 -0.575 0.000 2.573 13 M HA -0.200 4.280 4.480 -0.000 0.000 0.184 13 M C -1.718 174.354 176.300 -0.380 0.000 0.953 13 M CA 0.191 55.134 55.300 -0.596 0.000 0.592 13 M CB -0.821 31.170 32.600 -1.014 0.000 1.151 13 M HN 0.252 nan 8.290 nan 0.000 0.850 14 V N 3.350 123.109 119.914 -0.258 0.000 2.259 14 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 14 V C 0.681 176.778 176.094 0.005 0.000 1.051 14 V CA -0.385 61.835 62.300 -0.134 0.000 0.830 14 V CB 1.054 32.795 31.823 -0.136 0.000 1.080 14 V HN 0.629 nan 8.190 nan 0.000 0.467 15 N N 2.468 121.164 118.700 -0.007 0.000 2.227 15 N HA 0.264 5.004 4.740 -0.000 0.000 0.196 15 N C 0.534 176.096 175.510 0.087 0.000 1.142 15 N CA 0.262 53.242 53.050 -0.117 0.000 0.887 15 N CB 1.457 39.912 38.487 -0.053 0.000 1.022 15 N HN 0.659 nan 8.380 nan 0.000 0.500 16 A N 0.562 123.504 122.820 0.203 0.000 2.317 16 A HA 0.457 4.776 4.320 -0.000 0.000 0.327 16 A C 1.473 179.207 177.584 0.249 0.000 1.178 16 A CA -0.653 51.485 52.037 0.167 0.000 0.817 16 A CB 0.934 19.953 19.000 0.032 0.000 1.189 16 A HN -0.030 nan 8.150 nan 0.000 0.489 17 V N 0.256 120.270 119.914 0.168 0.000 2.490 17 V HA -0.130 3.989 4.120 -0.000 0.000 0.250 17 V C 2.117 178.215 176.094 0.007 0.000 1.061 17 V CA 2.390 64.700 62.300 0.017 0.000 1.064 17 V CB -1.409 30.397 31.823 -0.028 0.000 0.670 17 V HN 1.057 nan 8.190 nan 0.000 0.461 18 A N -0.056 122.774 122.820 0.017 0.000 2.070 18 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 18 A C 2.191 179.780 177.584 0.007 0.000 1.159 18 A CA 1.729 53.771 52.037 0.008 0.000 0.656 18 A CB -0.516 18.480 19.000 -0.007 0.000 0.800 18 A HN 0.713 nan 8.150 nan 0.000 0.453 19 Q N -0.643 119.191 119.800 0.058 0.000 2.331 19 Q HA 0.071 4.411 4.340 -0.000 0.000 0.203 19 Q C 1.713 177.795 176.000 0.137 0.000 0.944 19 Q CA 0.639 56.522 55.803 0.134 0.000 0.892 19 Q CB -0.205 28.722 28.738 0.315 0.000 0.983 19 Q HN 0.739 nan 8.270 nan 0.000 0.482 20 I N 1.944 122.490 120.570 -0.040 0.000 2.091 20 I HA -0.254 3.916 4.170 -0.000 0.000 0.239 20 I C -0.637 175.259 176.117 -0.368 0.000 1.061 20 I CA 1.345 62.474 61.300 -0.285 0.000 1.317 20 I CB -1.421 36.217 38.000 -0.603 0.000 1.031 20 I HN 0.166 nan 8.210 nan 0.000 0.401 21 P HA -0.132 nan 4.420 nan 0.000 0.217 21 P C 0.823 178.043 177.300 -0.134 0.000 1.150 21 P CA 1.591 64.546 63.100 -0.242 0.000 0.832 21 P CB -0.127 31.552 31.700 -0.035 0.000 0.787 22 D N -0.471 119.854 120.400 -0.125 0.000 2.104 22 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 22 D C 1.871 178.043 176.300 -0.214 0.000 0.994 22 D CA 1.128 55.020 54.000 -0.180 0.000 0.830 22 D CB -0.969 39.678 40.800 -0.254 0.000 0.959 22 D HN 0.168 nan 8.370 nan 0.000 0.452 23 F N 0.520 120.398 119.950 -0.119 0.000 2.206 23 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 23 F C 2.373 178.094 175.800 -0.131 0.000 1.090 23 F CA 0.440 58.376 58.000 -0.106 0.000 1.323 23 F CB -0.368 38.566 39.000 -0.110 0.000 1.028 23 F HN -0.082 nan 8.300 nan 0.000 0.492 24 L N -0.456 120.744 121.223 -0.039 0.000 2.017 24 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 24 L C 2.101 178.942 176.870 -0.047 0.000 1.073 24 L CA 1.256 56.031 54.840 -0.109 0.000 0.745 24 L CB -0.729 41.191 42.059 -0.233 0.000 0.894 24 L HN 0.023 nan 8.230 nan 0.000 0.432 25 D N 0.307 120.675 120.400 -0.054 0.000 2.158 25 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 25 D C 2.300 178.586 176.300 -0.023 0.000 0.995 25 D CA 1.270 55.248 54.000 -0.037 0.000 0.846 25 D CB -0.192 40.577 40.800 -0.050 0.000 0.941 25 D HN 0.273 nan 8.370 nan 0.000 0.456 26 L N -1.086 120.124 121.223 -0.020 0.000 2.362 26 L HA 0.032 4.372 4.340 -0.000 0.000 0.219 26 L C 1.700 178.594 176.870 0.040 0.000 1.134 26 L CA 0.987 55.833 54.840 0.010 0.000 0.807 26 L CB -0.022 42.051 42.059 0.022 0.000 0.927 26 L HN 0.249 nan 8.230 nan 0.000 0.447 27 G N -1.315 107.507 108.800 0.037 0.000 2.273 27 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.162 27 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.162 27 G C 0.333 175.260 174.900 0.045 0.000 1.006 27 G CA -0.248 44.873 45.100 0.034 0.000 0.704 27 G HN 0.386 nan 8.290 nan 0.000 0.487 28 A N 0.811 123.670 122.820 0.065 0.000 2.540 28 A HA 0.487 4.807 4.320 -0.000 0.000 0.239 28 A C 1.248 178.861 177.584 0.049 0.000 1.061 28 A CA 1.036 53.115 52.037 0.071 0.000 0.758 28 A CB 0.166 19.210 19.000 0.074 0.000 0.991 28 A HN 1.007 nan 8.150 nan 0.000 0.502 29 N N 0.738 119.494 118.700 0.092 0.000 2.236 29 N HA 0.405 5.145 4.740 -0.000 0.000 0.196 29 N C -0.117 175.606 175.510 0.356 0.000 1.114 29 N CA 0.629 53.772 53.050 0.155 0.000 0.859 29 N CB 0.284 38.790 38.487 0.032 0.000 0.982 29 N HN 0.820 nan 8.380 nan 0.000 0.493 30 A N 0.370 123.377 122.820 0.311 0.000 2.609 30 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 30 A C -1.501 176.246 177.584 0.272 0.000 1.096 30 A CA -0.864 51.450 52.037 0.463 0.000 0.684 30 A CB 1.285 20.583 19.000 0.496 0.000 1.282 30 A HN 0.230 nan 8.150 nan 0.000 0.412 31 L N -1.554 119.889 121.223 0.367 0.000 2.409 31 L HA 0.853 5.193 4.340 -0.000 0.000 0.255 31 L C -1.069 175.976 176.870 0.292 0.000 1.027 31 L CA -0.529 54.434 54.840 0.205 0.000 0.834 31 L CB 1.972 44.043 42.059 0.020 0.000 1.426 31 L HN 0.888 nan 8.230 nan 0.000 0.411 32 E N 1.423 121.752 120.200 0.214 0.000 2.210 32 E HA 0.729 5.079 4.350 -0.000 0.000 0.266 32 E C -1.718 174.981 176.600 0.166 0.000 0.883 32 E CA -0.528 56.036 56.400 0.274 0.000 0.761 32 E CB 2.326 32.274 29.700 0.413 0.000 1.156 32 E HN 0.912 nan 8.360 nan 0.000 0.412 33 A N 4.387 127.311 122.820 0.173 0.000 2.355 33 A HA 0.439 4.759 4.320 -0.000 0.000 0.317 33 A C -0.799 176.806 177.584 0.034 0.000 1.094 33 A CA -0.809 51.222 52.037 -0.010 0.000 0.764 33 A CB 0.963 19.833 19.000 -0.217 0.000 1.230 33 A HN 0.628 nan 8.150 nan 0.000 0.448 34 D N 2.164 122.549 120.400 -0.025 0.000 2.313 34 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 34 D C -0.580 175.712 176.300 -0.014 0.000 1.142 34 D CA 0.141 54.146 54.000 0.008 0.000 0.847 34 D CB 1.706 42.495 40.800 -0.019 0.000 1.082 34 D HN 0.155 nan 8.370 nan 0.000 0.480 35 V N 3.034 122.941 119.914 -0.013 0.000 2.333 35 V HA 0.173 4.293 4.120 -0.000 0.000 0.274 35 V C 0.966 177.004 176.094 -0.093 0.000 1.028 35 V CA -0.607 61.593 62.300 -0.167 0.000 0.851 35 V CB 1.081 32.678 31.823 -0.378 0.000 1.000 35 V HN 0.582 nan 8.190 nan 0.000 0.456 36 T N 2.106 116.607 114.554 -0.088 0.000 2.913 36 T HA 0.692 5.042 4.350 -0.000 0.000 0.287 36 T C -0.759 173.827 174.700 -0.190 0.000 1.008 36 T CA -0.299 61.827 62.100 0.044 0.000 1.067 36 T CB 0.909 69.891 68.868 0.190 0.000 0.996 36 T HN 0.205 nan 8.240 nan 0.000 0.513 37 F N 0.732 120.681 119.950 -0.002 0.000 2.520 37 F HA 0.513 5.040 4.527 -0.000 0.000 0.322 37 F C 0.465 176.266 175.800 0.002 0.000 1.103 37 F CA -1.036 56.957 58.000 -0.011 0.000 0.926 37 F CB 2.419 41.420 39.000 0.003 0.000 1.154 37 F HN 0.570 nan 8.300 nan 0.000 0.453 38 K N 3.208 123.677 120.400 0.115 0.000 2.347 38 K HA 0.553 4.873 4.320 -0.000 0.000 0.262 38 K C 0.622 177.290 176.600 0.113 0.000 1.052 38 K CA 0.144 56.482 56.287 0.084 0.000 0.946 38 K CB 0.568 33.077 32.500 0.015 0.000 1.220 38 K HN 0.862 nan 8.250 nan 0.000 0.450 39 G N 2.374 111.243 108.800 0.115 0.000 2.614 39 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.303 39 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.303 39 G C 0.580 175.587 174.900 0.179 0.000 1.270 39 G CA 0.515 45.674 45.100 0.099 0.000 0.988 39 G HN 0.791 nan 8.290 nan 0.000 0.551 40 S N -0.843 114.946 115.700 0.149 0.000 2.607 40 S HA 0.362 4.832 4.470 -0.000 0.000 0.224 40 S C 0.730 175.539 174.600 0.347 0.000 0.969 40 S CA 0.896 59.223 58.200 0.212 0.000 0.927 40 S CB 0.313 63.571 63.200 0.097 0.000 0.772 40 S HN 1.165 nan 8.310 nan 0.000 0.533 41 V N 5.152 125.214 119.914 0.247 0.000 2.348 41 V HA 0.346 4.466 4.120 -0.000 0.000 0.270 41 V C -2.280 173.733 176.094 -0.135 0.000 1.037 41 V CA -2.229 60.129 62.300 0.097 0.000 0.872 41 V CB 0.829 32.673 31.823 0.035 0.000 1.002 41 V HN 0.237 nan 8.190 nan 0.000 0.464 42 P HA 0.195 nan 4.420 nan 0.000 0.271 42 P C 0.140 177.172 177.300 -0.447 0.000 1.226 42 P CA 0.189 62.680 63.100 -1.014 0.000 0.765 42 P CB 1.540 32.621 31.700 -1.031 0.000 0.835 43 T N 1.969 116.250 114.554 -0.455 0.000 3.182 43 T HA 0.155 4.505 4.350 -0.000 0.000 0.244 43 T C 0.034 174.550 174.700 -0.307 0.000 0.981 43 T CA 0.900 62.784 62.100 -0.360 0.000 1.182 43 T CB -0.137 68.450 68.868 -0.467 0.000 1.043 43 T HN 0.331 nan 8.240 nan 0.000 0.424 44 Y N 1.446 121.758 120.300 0.021 0.000 2.570 44 Y HA 0.475 5.025 4.550 -0.000 0.000 0.345 44 Y C 0.152 176.102 175.900 0.083 0.000 1.014 44 Y CA -1.461 56.714 58.100 0.124 0.000 1.063 44 Y CB 1.470 39.961 38.460 0.052 0.000 1.272 44 Y HN -0.050 nan 8.280 nan 0.000 0.477 45 T N -0.242 114.502 114.554 0.316 0.000 2.728 45 T HA 0.525 4.875 4.350 -0.000 0.000 0.296 45 T C -1.318 173.522 174.700 0.234 0.000 0.940 45 T CA -0.477 61.661 62.100 0.064 0.000 1.013 45 T CB 0.357 68.967 68.868 -0.430 0.000 0.912 45 T HN 0.590 nan 8.240 nan 0.000 0.484 46 Y N 2.265 122.578 120.300 0.022 0.000 2.393 46 Y HA 0.263 4.813 4.550 -0.000 0.000 0.320 46 Y C -0.155 175.762 175.900 0.029 0.000 1.241 46 Y CA -1.101 57.023 58.100 0.041 0.000 1.122 46 Y CB 0.792 39.249 38.460 -0.005 0.000 1.322 46 Y HN 0.772 nan 8.280 nan 0.000 0.441 47 H N 3.534 122.238 119.070 -0.610 0.000 2.355 47 H HA 0.480 5.036 4.556 -0.000 0.000 0.312 47 H C 0.724 175.565 175.328 -0.811 0.000 1.051 47 H CA 1.985 57.714 56.048 -0.531 0.000 1.389 47 H CB 0.813 30.351 29.762 -0.374 0.000 1.455 47 H HN 1.207 nan 8.280 nan 0.000 0.575 48 G N 0.530 108.791 108.800 -0.898 0.000 2.707 48 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 48 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 48 G C -0.153 174.695 174.900 -0.086 0.000 1.315 48 G CA -0.034 44.688 45.100 -0.631 0.000 0.832 48 G HN 0.663 nan 8.290 nan 0.000 0.573 49 T N 0.320 114.848 114.554 -0.043 0.000 2.910 49 T HA 0.716 5.066 4.350 -0.000 0.000 0.293 49 T C -1.127 173.579 174.700 0.011 0.000 1.015 49 T CA -0.270 61.831 62.100 0.001 0.000 1.094 49 T CB 1.556 70.422 68.868 -0.003 0.000 0.968 49 T HN 0.819 nan 8.240 nan 0.000 0.521 50 P HA 0.585 nan 4.420 nan 0.000 0.278 50 P C -0.453 176.893 177.300 0.076 0.000 1.266 50 P CA -0.629 62.493 63.100 0.037 0.000 0.807 50 P CB 0.540 32.267 31.700 0.044 0.000 1.094 51 c N -2.339 116.269 118.600 0.014 0.000 3.292 51 c HA 0.487 5.056 4.570 -0.000 0.000 0.369 51 c C -0.674 173.432 174.090 0.027 0.000 1.664 51 c CA -0.844 55.433 56.329 -0.088 0.000 1.204 51 c CB 0.564 42.841 42.510 -0.388 0.000 1.978 51 c HN 0.465 nan 8.230 nan 0.000 0.435 52 D N 1.071 121.476 120.400 0.010 0.000 2.472 52 D HA 0.310 4.950 4.640 -0.000 0.000 0.237 52 D C -0.076 176.375 176.300 0.252 0.000 1.141 52 D CA 0.530 54.611 54.000 0.135 0.000 0.875 52 D CB 0.095 40.951 40.800 0.094 0.000 1.192 52 D HN 0.373 nan 8.370 nan 0.000 0.450 53 F N 0.738 120.694 119.950 0.009 0.000 2.602 53 F HA 0.231 4.758 4.527 -0.000 0.000 0.367 53 F C 2.008 177.848 175.800 0.066 0.000 1.126 53 F CA 0.621 58.639 58.000 0.029 0.000 1.321 53 F CB -0.001 39.020 39.000 0.035 0.000 1.094 53 F HN 0.561 nan 8.300 nan 0.000 0.594 54 G N 1.953 110.845 108.800 0.153 0.000 2.168 54 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 54 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 54 G C 0.326 175.307 174.900 0.136 0.000 0.977 54 G CA -0.278 44.916 45.100 0.157 0.000 0.659 54 G HN 0.487 nan 8.290 nan 0.000 0.533 55 R N 0.718 121.264 120.500 0.077 0.000 2.562 55 R HA 0.437 4.777 4.340 -0.000 0.000 0.298 55 R C -0.732 175.559 176.300 -0.015 0.000 0.961 55 R CA -0.945 55.172 56.100 0.027 0.000 0.881 55 R CB 0.977 31.265 30.300 -0.020 0.000 1.159 55 R HN 0.168 nan 8.270 nan 0.000 0.450 56 D N 0.943 121.340 120.400 -0.006 0.000 2.389 56 D HA 0.051 4.691 4.640 -0.000 0.000 0.247 56 D C 0.578 176.850 176.300 -0.046 0.000 1.128 56 D CA 0.040 54.031 54.000 -0.014 0.000 0.884 56 D CB 1.069 41.877 40.800 0.013 0.000 1.194 56 D HN 0.477 nan 8.370 nan 0.000 0.441 57 c N 1.225 119.793 118.600 -0.054 0.000 2.926 57 c HA 0.149 4.719 4.570 -0.000 0.000 0.272 57 c C 1.816 175.853 174.090 -0.087 0.000 1.249 57 c CA -0.411 55.850 56.329 -0.114 0.000 1.691 57 c CB -0.937 41.515 42.510 -0.097 0.000 1.983 57 c HN 0.632 nan 8.230 nan 0.000 0.615 58 I N -2.749 117.848 120.570 0.045 0.000 3.833 58 I HA 0.350 4.520 4.170 -0.000 0.000 0.328 58 I C 0.203 176.544 176.117 0.373 0.000 1.554 58 I CA -0.253 61.191 61.300 0.239 0.000 1.116 58 I CB -0.249 37.916 38.000 0.275 0.000 1.182 58 I HN -0.079 nan 8.210 nan 0.000 0.459 59 R N 3.243 123.880 120.500 0.229 0.000 2.643 59 R HA 0.265 4.605 4.340 -0.000 0.000 0.270 59 R C -0.792 175.731 176.300 0.373 0.000 1.061 59 R CA 0.253 56.490 56.100 0.230 0.000 1.107 59 R CB 0.553 30.914 30.300 0.101 0.000 0.999 59 R HN 0.653 nan 8.270 nan 0.000 0.460 60 W N 0.001 121.333 121.300 0.053 0.000 2.989 60 W HA 0.554 5.213 4.660 -0.000 0.000 0.344 60 W C -1.305 175.216 176.519 0.003 0.000 1.233 60 W CA -0.688 56.671 57.345 0.023 0.000 1.187 60 W CB 1.076 30.470 29.460 -0.111 0.000 1.443 60 W HN 0.460 nan 8.180 nan 0.000 0.573 61 E N 0.258 120.577 120.200 0.198 0.000 2.430 61 E HA 0.461 4.811 4.350 -0.000 0.000 0.279 61 E C -1.796 175.053 176.600 0.415 0.000 1.003 61 E CA -0.855 55.562 56.400 0.028 0.000 0.801 61 E CB 1.353 31.198 29.700 0.241 0.000 1.313 61 E HN 0.256 nan 8.360 nan 0.000 0.459 62 Y N 2.421 123.042 120.300 0.534 0.000 2.511 62 Y HA 0.073 4.623 4.550 0.000 0.000 0.332 62 Y C 1.346 177.472 175.900 0.377 0.000 1.177 62 Y CA 0.227 58.606 58.100 0.466 0.000 1.422 62 Y CB 0.168 38.811 38.460 0.305 0.000 1.271 62 Y HN 0.624 nan 8.280 nan 0.000 0.550 63 F N 3.752 123.874 119.950 0.288 0.000 2.095 63 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 63 F C 2.076 178.004 175.800 0.215 0.000 1.104 63 F CA 2.145 60.260 58.000 0.191 0.000 1.232 63 F CB -0.407 38.625 39.000 0.053 0.000 0.987 63 F HN 0.712 nan 8.300 nan 0.000 0.475 64 N N 0.741 119.491 118.700 0.083 0.000 2.104 64 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 64 N C 1.807 177.320 175.510 0.005 0.000 1.024 64 N CA 2.218 55.236 53.050 -0.054 0.000 0.853 64 N CB -1.295 37.200 38.487 0.013 0.000 1.008 64 N HN 0.327 nan 8.380 nan 0.000 0.424 65 V N 0.455 120.455 119.914 0.144 0.000 2.427 65 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 65 V C 2.168 178.327 176.094 0.108 0.000 1.051 65 V CA 1.346 63.727 62.300 0.136 0.000 1.048 65 V CB -0.938 31.023 31.823 0.230 0.000 0.666 65 V HN 0.139 nan 8.190 nan 0.000 0.456 66 F N 0.248 120.215 119.950 0.028 0.000 2.126 66 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 66 F C 2.058 177.801 175.800 -0.095 0.000 1.096 66 F CA 1.698 59.696 58.000 -0.004 0.000 1.255 66 F CB -0.111 38.927 39.000 0.063 0.000 0.997 66 F HN 0.026 nan 8.300 nan 0.000 0.479 67 L N -0.136 121.048 121.223 -0.065 0.000 2.056 67 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 67 L C 2.416 179.239 176.870 -0.077 0.000 1.078 67 L CA 1.436 56.169 54.840 -0.178 0.000 0.749 67 L CB -0.675 41.192 42.059 -0.319 0.000 0.901 67 L HN 0.044 nan 8.230 nan 0.000 0.433 68 K N -0.590 119.769 120.400 -0.069 0.000 2.103 68 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 68 K C 2.044 178.614 176.600 -0.051 0.000 1.048 68 K CA 1.780 58.038 56.287 -0.048 0.000 0.930 68 K CB -0.184 32.294 32.500 -0.036 0.000 0.716 68 K HN 0.300 nan 8.250 nan 0.000 0.444 69 T N 1.702 116.207 114.554 -0.082 0.000 2.812 69 T HA -0.032 4.318 4.350 -0.000 0.000 0.264 69 T C 1.808 176.534 174.700 0.045 0.000 1.042 69 T CA 0.768 62.836 62.100 -0.053 0.000 1.140 69 T CB -0.075 68.728 68.868 -0.108 0.000 0.870 69 T HN 0.107 nan 8.240 nan 0.000 0.445 70 L N 0.751 121.920 121.223 -0.091 0.000 2.083 70 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 70 L C 2.869 179.889 176.870 0.250 0.000 1.083 70 L CA 1.334 56.191 54.840 0.029 0.000 0.752 70 L CB -0.538 41.289 42.059 -0.386 0.000 0.899 70 L HN 0.200 nan 8.230 nan 0.000 0.433 71 R N 0.640 121.244 120.500 0.174 0.000 2.091 71 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 71 R C 2.085 178.377 176.300 -0.013 0.000 1.136 71 R CA 1.835 57.904 56.100 -0.052 0.000 0.959 71 R CB -0.110 30.080 30.300 -0.183 0.000 0.856 71 R HN 0.440 nan 8.270 nan 0.000 0.437 72 E N -0.623 119.566 120.200 -0.017 0.000 2.051 72 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 72 E C 1.778 178.348 176.600 -0.050 0.000 0.991 72 E CA 1.489 57.831 56.400 -0.097 0.000 0.799 72 E CB -0.212 29.349 29.700 -0.231 0.000 0.748 72 E HN 0.475 nan 8.360 nan 0.000 0.449 73 Y N 0.533 120.910 120.300 0.129 0.000 2.574 73 Y HA -0.085 4.465 4.550 -0.000 0.000 0.294 73 Y C 1.994 178.071 175.900 0.296 0.000 1.142 73 Y CA 1.327 59.561 58.100 0.223 0.000 1.314 73 Y CB 0.223 38.863 38.460 0.301 0.000 0.991 73 Y HN 0.098 nan 8.280 nan 0.000 0.555 74 T N -5.252 109.522 114.554 0.367 0.000 3.275 74 T HA 0.191 4.541 4.350 -0.000 0.000 0.298 74 T C 0.195 175.048 174.700 0.255 0.000 0.988 74 T CA -0.269 62.035 62.100 0.339 0.000 0.936 74 T CB -0.188 68.777 68.868 0.161 0.000 1.159 74 T HN -0.124 nan 8.240 nan 0.000 0.519 75 T N 4.887 119.530 114.554 0.147 0.000 2.801 75 T HA 0.450 4.800 4.350 -0.000 0.000 0.306 75 T C -2.811 171.594 174.700 -0.491 0.000 1.020 75 T CA -1.349 60.667 62.100 -0.139 0.000 0.948 75 T CB 1.185 69.973 68.868 -0.133 0.000 0.962 75 T HN 0.052 nan 8.240 nan 0.000 0.465 76 P HA 0.127 nan 4.420 nan 0.000 0.263 76 P C 1.150 178.071 177.300 -0.632 0.000 1.175 76 P CA 1.081 63.322 63.100 -1.432 0.000 0.761 76 P CB 0.287 31.496 31.700 -0.817 0.000 0.794 77 G N 1.608 110.141 108.800 -0.445 0.000 2.179 77 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 77 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 77 G C 0.500 175.335 174.900 -0.108 0.000 0.977 77 G CA -0.197 44.795 45.100 -0.179 0.000 0.641 77 G HN 0.697 nan 8.290 nan 0.000 0.533 78 N N 0.818 119.456 118.700 -0.103 0.000 2.508 78 N HA 0.436 5.176 4.740 -0.000 0.000 0.264 78 N C 1.765 177.272 175.510 -0.004 0.000 1.216 78 N CA 0.641 53.661 53.050 -0.050 0.000 0.943 78 N CB 1.049 39.506 38.487 -0.050 0.000 1.113 78 N HN 0.469 nan 8.380 nan 0.000 0.447 79 A N 4.207 127.004 122.820 -0.038 0.000 1.948 79 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 79 A C 1.736 179.296 177.584 -0.040 0.000 1.177 79 A CA 1.562 53.580 52.037 -0.033 0.000 0.636 79 A CB -0.194 18.775 19.000 -0.053 0.000 0.815 79 A HN 0.810 nan 8.150 nan 0.000 0.449 80 K N -1.852 118.478 120.400 -0.117 0.000 2.404 80 K HA 0.079 4.399 4.320 -0.000 0.000 0.194 80 K C -0.125 176.435 176.600 -0.066 0.000 1.023 80 K CA -0.362 55.772 56.287 -0.254 0.000 1.094 80 K CB 0.031 32.088 32.500 -0.739 0.000 0.841 80 K HN 0.555 nan 8.250 nan 0.000 0.523 81 Y N 2.761 123.023 120.300 -0.062 0.000 2.620 81 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 81 Y C -0.313 175.657 175.900 0.116 0.000 1.186 81 Y CA -0.148 57.972 58.100 0.035 0.000 1.467 81 Y CB 0.480 38.939 38.460 -0.001 0.000 1.262 81 Y HN -0.133 nan 8.280 nan 0.000 0.550 82 R N 5.742 125.992 120.500 -0.418 0.000 2.435 82 R HA 0.117 4.457 4.340 -0.000 0.000 0.308 82 R C 0.094 175.962 176.300 -0.721 0.000 0.975 82 R CA -0.422 55.446 56.100 -0.387 0.000 0.867 82 R CB 1.193 31.513 30.300 0.034 0.000 1.171 82 R HN 0.840 nan 8.270 nan 0.000 0.470 83 D N 1.695 121.640 120.400 -0.758 0.000 2.264 83 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 83 D C 1.377 177.622 176.300 -0.090 0.000 0.966 83 D CA 0.920 54.654 54.000 -0.443 0.000 0.864 83 D CB -0.002 40.719 40.800 -0.133 0.000 0.933 83 D HN 0.673 nan 8.370 nan 0.000 0.499 84 G N -0.903 107.873 108.800 -0.039 0.000 2.920 84 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.208 84 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.208 84 G C -0.240 174.775 174.900 0.191 0.000 1.159 84 G CA -0.429 44.708 45.100 0.062 0.000 0.784 84 G HN 0.210 nan 8.290 nan 0.000 0.535 85 F N 2.688 122.647 119.950 0.015 0.000 2.368 85 F HA 0.432 4.959 4.527 -0.000 0.000 0.362 85 F C 1.006 176.939 175.800 0.223 0.000 1.137 85 F CA -2.686 55.376 58.000 0.104 0.000 1.161 85 F CB 0.428 39.480 39.000 0.087 0.000 1.265 85 F HN 0.146 nan 8.300 nan 0.000 0.530 86 I N 3.667 124.503 120.570 0.443 0.000 4.181 86 I HA 0.415 4.585 4.170 -0.000 0.000 0.331 86 I C -0.906 175.437 176.117 0.376 0.000 1.312 86 I CA 0.046 61.582 61.300 0.394 0.000 1.146 86 I CB 0.729 38.964 38.000 0.391 0.000 1.074 86 I HN 0.397 nan 8.210 nan 0.000 0.402 87 L N 1.855 123.281 121.223 0.339 0.000 2.545 87 L HA 0.562 4.902 4.340 -0.000 0.000 0.258 87 L C -1.920 175.142 176.870 0.320 0.000 0.942 87 L CA -0.702 54.255 54.840 0.194 0.000 0.855 87 L CB 2.409 44.548 42.059 0.134 0.000 1.374 87 L HN 0.208 nan 8.230 nan 0.000 0.411 88 F N 2.613 122.601 119.950 0.063 0.000 2.565 88 F HA 0.836 5.363 4.527 -0.000 0.000 0.313 88 F C -1.301 174.501 175.800 0.004 0.000 1.091 88 F CA -1.179 56.900 58.000 0.131 0.000 0.915 88 F CB 1.390 40.519 39.000 0.215 0.000 1.208 88 F HN 0.073 nan 8.300 nan 0.000 0.453 89 V N 4.230 124.253 119.914 0.181 0.000 2.407 89 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 89 V C -0.035 176.219 176.094 0.266 0.000 1.037 89 V CA -0.713 61.638 62.300 0.085 0.000 0.900 89 V CB 1.495 33.374 31.823 0.093 0.000 0.983 89 V HN 0.708 nan 8.190 nan 0.000 0.459 90 L N 4.197 125.554 121.223 0.223 0.000 2.264 90 L HA 0.402 4.742 4.340 -0.000 0.000 0.287 90 L C 0.002 176.998 176.870 0.210 0.000 1.039 90 L CA -0.444 54.555 54.840 0.265 0.000 0.829 90 L CB 1.006 43.252 42.059 0.312 0.000 1.211 90 L HN 0.557 nan 8.230 nan 0.000 0.427 91 D N 5.026 125.565 120.400 0.231 0.000 2.402 91 D HA 0.209 4.849 4.640 -0.000 0.000 0.235 91 D C -0.365 176.022 176.300 0.145 0.000 1.226 91 D CA -0.020 54.117 54.000 0.228 0.000 0.918 91 D CB 0.460 41.421 40.800 0.269 0.000 1.043 91 D HN 0.295 nan 8.370 nan 0.000 0.506 92 L N 4.641 125.927 121.223 0.106 0.000 2.283 92 L HA 0.233 4.573 4.340 -0.000 0.000 0.287 92 L C 1.091 178.005 176.870 0.074 0.000 1.073 92 L CA -0.506 54.419 54.840 0.141 0.000 0.822 92 L CB 0.801 42.827 42.059 -0.055 0.000 1.186 92 L HN -0.027 nan 8.230 nan 0.000 0.436 93 K N 2.735 123.271 120.400 0.227 0.000 2.502 93 K HA 0.108 4.428 4.320 -0.000 0.000 0.244 93 K C 1.027 177.642 176.600 0.025 0.000 1.249 93 K CA -0.037 56.321 56.287 0.117 0.000 1.193 93 K CB 0.017 32.592 32.500 0.126 0.000 1.674 93 K HN 0.627 nan 8.250 nan 0.000 0.302 94 T N -3.730 110.713 114.554 -0.185 0.000 3.086 94 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 94 T C 1.824 176.532 174.700 0.013 0.000 1.074 94 T CA 0.191 62.118 62.100 -0.289 0.000 0.988 94 T CB 0.369 69.025 68.868 -0.352 0.000 0.988 94 T HN 0.342 nan 8.240 nan 0.000 0.530 95 G N 1.725 110.511 108.800 -0.025 0.000 2.517 95 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.222 95 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.222 95 G C 1.504 176.411 174.900 0.012 0.000 1.109 95 G CA 0.921 45.998 45.100 -0.038 0.000 0.746 95 G HN 0.584 nan 8.290 nan 0.000 0.576 96 S N -0.156 115.554 115.700 0.017 0.000 2.540 96 S HA 0.355 4.825 4.470 -0.000 0.000 0.218 96 S C 0.732 175.338 174.600 0.010 0.000 0.977 96 S CA -0.501 57.707 58.200 0.014 0.000 0.918 96 S CB 0.172 63.380 63.200 0.014 0.000 0.806 96 S HN 0.195 nan 8.310 nan 0.000 0.496 97 L N 2.763 123.985 121.223 -0.002 0.000 2.417 97 L HA 0.274 4.614 4.340 -0.000 0.000 0.268 97 L C 0.895 177.730 176.870 -0.058 0.000 1.158 97 L CA -0.512 54.291 54.840 -0.061 0.000 0.819 97 L CB 0.529 42.487 42.059 -0.169 0.000 1.112 97 L HN 0.228 nan 8.230 nan 0.000 0.458 98 S N 0.849 116.513 115.700 -0.060 0.000 2.593 98 S HA 0.093 4.563 4.470 -0.000 0.000 0.269 98 S C 0.811 175.348 174.600 -0.104 0.000 1.334 98 S CA -0.571 57.595 58.200 -0.057 0.000 1.015 98 S CB 0.690 63.867 63.200 -0.039 0.000 0.912 98 S HN 0.671 nan 8.310 nan 0.000 0.541 99 N N 1.591 120.236 118.700 -0.091 0.000 2.091 99 N HA -0.254 4.485 4.740 -0.000 0.000 0.193 99 N C 1.285 176.713 175.510 -0.136 0.000 1.021 99 N CA 1.820 54.794 53.050 -0.128 0.000 0.862 99 N CB -0.460 37.976 38.487 -0.085 0.000 1.018 99 N HN 0.929 nan 8.380 nan 0.000 0.429 100 D N 0.283 120.629 120.400 -0.091 0.000 2.218 100 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 100 D C 1.499 177.753 176.300 -0.077 0.000 0.976 100 D CA 1.076 55.033 54.000 -0.071 0.000 0.853 100 D CB -0.236 40.537 40.800 -0.044 0.000 0.939 100 D HN 0.335 nan 8.370 nan 0.000 0.481 101 Q N -0.097 119.647 119.800 -0.093 0.000 2.424 101 Q HA 0.090 4.430 4.340 -0.000 0.000 0.204 101 Q C 1.960 177.888 176.000 -0.119 0.000 0.933 101 Q CA 0.035 55.790 55.803 -0.080 0.000 0.929 101 Q CB 0.551 29.252 28.738 -0.061 0.000 1.037 101 Q HN 0.237 nan 8.270 nan 0.000 0.511 102 V N 0.789 120.582 119.914 -0.202 0.000 2.270 102 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 102 V C 2.302 178.326 176.094 -0.116 0.000 1.043 102 V CA 1.974 64.117 62.300 -0.261 0.000 1.014 102 V CB -0.485 31.038 31.823 -0.500 0.000 0.645 102 V HN 0.317 nan 8.190 nan 0.000 0.447 103 R N 0.508 120.938 120.500 -0.117 0.000 2.094 103 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 103 R C -0.104 176.145 176.300 -0.086 0.000 1.137 103 R CA 2.377 58.428 56.100 -0.081 0.000 0.943 103 R CB -1.404 28.861 30.300 -0.059 0.000 0.850 103 R HN 0.429 nan 8.270 nan 0.000 0.433 104 P HA -0.070 nan 4.420 nan 0.000 0.218 104 P C 0.694 177.989 177.300 -0.009 0.000 1.149 104 P CA 1.769 64.853 63.100 -0.027 0.000 0.817 104 P CB -0.066 31.631 31.700 -0.004 0.000 0.785 105 A N 0.070 122.891 122.820 0.002 0.000 1.877 105 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 105 A C 2.507 179.994 177.584 -0.162 0.000 1.186 105 A CA 2.125 54.241 52.037 0.133 0.000 0.620 105 A CB -1.915 17.165 19.000 0.134 0.000 0.822 105 A HN 0.272 nan 8.150 nan 0.000 0.443 106 G N -0.461 107.867 108.800 -0.785 0.000 2.446 106 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 106 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 106 G C 1.409 176.104 174.900 -0.342 0.000 1.168 106 G CA 1.049 45.325 45.100 -1.373 0.000 0.771 106 G HN 0.657 nan 8.290 nan 0.000 0.551 107 E N 0.642 120.741 120.200 -0.169 0.000 2.070 107 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 107 E C 2.495 179.102 176.600 0.011 0.000 1.004 107 E CA 1.172 57.538 56.400 -0.056 0.000 0.805 107 E CB -0.100 29.581 29.700 -0.032 0.000 0.744 107 E HN 0.289 nan 8.360 nan 0.000 0.451 108 N N 0.285 119.018 118.700 0.054 0.000 2.188 108 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 108 N C 1.893 177.541 175.510 0.230 0.000 1.018 108 N CA 0.763 53.893 53.050 0.134 0.000 0.858 108 N CB -0.247 38.334 38.487 0.157 0.000 0.989 108 N HN 0.014 nan 8.380 nan 0.000 0.426 109 V N 1.453 121.550 119.914 0.305 0.000 2.427 109 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 109 V C 2.400 178.795 176.094 0.502 0.000 1.051 109 V CA 1.542 64.156 62.300 0.523 0.000 1.048 109 V CB -0.911 31.330 31.823 0.696 0.000 0.666 109 V HN 0.260 nan 8.190 nan 0.000 0.456 110 A N 0.051 123.060 122.820 0.315 0.000 1.865 110 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 110 A C 2.297 179.922 177.584 0.069 0.000 1.191 110 A CA 2.216 54.212 52.037 -0.069 0.000 0.623 110 A CB -0.496 18.191 19.000 -0.522 0.000 0.826 110 A HN 0.523 nan 8.150 nan 0.000 0.444 111 K N -0.610 119.835 120.400 0.075 0.000 2.063 111 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 111 K C 2.092 178.756 176.600 0.107 0.000 1.048 111 K CA 1.482 57.815 56.287 0.078 0.000 0.928 111 K CB -0.154 32.388 32.500 0.069 0.000 0.713 111 K HN 0.474 nan 8.250 nan 0.000 0.442 112 E N 0.859 121.153 120.200 0.156 0.000 2.051 112 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 112 E C 2.174 178.807 176.600 0.055 0.000 0.991 112 E CA 0.983 57.450 56.400 0.112 0.000 0.799 112 E CB -0.132 29.701 29.700 0.222 0.000 0.748 112 E HN 0.287 nan 8.360 nan 0.000 0.449 113 L N 0.463 121.768 121.223 0.137 0.000 2.046 113 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 113 L C 2.618 179.593 176.870 0.175 0.000 1.077 113 L CA 0.470 55.344 54.840 0.057 0.000 0.747 113 L CB -0.323 41.753 42.059 0.030 0.000 0.896 113 L HN 0.135 nan 8.230 nan 0.000 0.432 114 L N -0.047 121.343 121.223 0.278 0.000 1.989 114 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 114 L C 2.599 179.534 176.870 0.109 0.000 1.071 114 L CA 2.063 57.044 54.840 0.235 0.000 0.749 114 L CB -0.499 41.606 42.059 0.077 0.000 0.890 114 L HN 0.295 nan 8.230 nan 0.000 0.431 115 Q N -1.299 118.541 119.800 0.067 0.000 2.123 115 Q HA -0.130 4.210 4.340 -0.000 0.000 0.199 115 Q C 1.668 177.675 176.000 0.012 0.000 0.966 115 Q CA 1.877 57.699 55.803 0.031 0.000 0.845 115 Q CB 0.003 28.757 28.738 0.026 0.000 0.907 115 Q HN 0.543 nan 8.270 nan 0.000 0.439 116 N N -1.457 117.245 118.700 0.004 0.000 2.407 116 N HA -0.010 4.730 4.740 -0.000 0.000 0.182 116 N C 0.759 176.256 175.510 -0.021 0.000 1.079 116 N CA 0.496 53.529 53.050 -0.027 0.000 0.882 116 N CB 0.150 38.595 38.487 -0.069 0.000 1.106 116 N HN 0.258 nan 8.380 nan 0.000 0.461 117 Y N -0.285 119.923 120.300 -0.152 0.000 2.382 117 Y HA 0.142 4.692 4.550 -0.000 0.000 0.292 117 Y C 1.456 177.283 175.900 -0.121 0.000 1.151 117 Y CA 0.820 58.783 58.100 -0.229 0.000 1.198 117 Y CB -0.157 38.046 38.460 -0.428 0.000 1.195 117 Y HN -0.078 nan 8.280 nan 0.000 0.530 118 W N 1.052 122.303 121.300 -0.081 0.000 3.003 118 W HA 0.120 4.779 4.660 -0.000 0.000 0.257 118 W C 0.646 177.067 176.519 -0.163 0.000 1.308 118 W CA 0.885 58.129 57.345 -0.168 0.000 1.529 118 W CB -1.187 28.253 29.460 -0.033 0.000 1.115 118 W HN 0.319 nan 8.180 nan 0.000 0.659 119 N N 1.456 120.192 118.700 0.060 0.000 2.727 119 N HA -0.314 4.426 4.740 -0.000 0.000 0.249 119 N C -0.294 175.224 175.510 0.013 0.000 1.048 119 N CA 1.464 54.520 53.050 0.011 0.000 0.714 119 N CB -1.871 36.601 38.487 -0.025 0.000 0.959 119 N HN 0.358 nan 8.380 nan 0.000 0.544 120 N N -1.663 117.023 118.700 -0.023 0.000 2.725 120 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 120 N C 0.896 176.407 175.510 0.002 0.000 1.103 120 N CA 1.484 54.462 53.050 -0.119 0.000 0.707 120 N CB -1.327 37.181 38.487 0.035 0.000 1.043 120 N HN 0.980 nan 8.380 nan 0.000 0.553 121 G N -1.327 107.464 108.800 -0.016 0.000 2.179 121 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 121 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 121 G C -0.305 174.631 174.900 0.060 0.000 0.977 121 G CA 0.166 45.309 45.100 0.073 0.000 0.641 121 G HN 0.462 nan 8.290 nan 0.000 0.533 122 N N 1.270 119.994 118.700 0.041 0.000 2.678 122 N HA 0.266 5.006 4.740 -0.000 0.000 0.231 122 N C 0.469 175.972 175.510 -0.012 0.000 1.038 122 N CA 0.040 53.100 53.050 0.017 0.000 0.932 122 N CB 0.417 38.915 38.487 0.018 0.000 1.176 122 N HN 0.503 nan 8.380 nan 0.000 0.511 123 N N 0.710 119.395 118.700 -0.023 0.000 2.688 123 N HA -0.167 4.573 4.740 -0.000 0.000 0.258 123 N C -0.017 175.448 175.510 -0.076 0.000 1.016 123 N CA 0.164 53.181 53.050 -0.054 0.000 0.747 123 N CB -0.391 38.057 38.487 -0.065 0.000 0.895 123 N HN 0.581 nan 8.380 nan 0.000 0.543 124 G N -0.131 108.634 108.800 -0.058 0.000 2.522 124 G HA2 0.608 4.568 3.960 -0.000 0.000 0.304 124 G HA3 0.608 4.568 3.960 -0.000 0.000 0.304 124 G C 0.511 175.286 174.900 -0.209 0.000 1.210 124 G CA 0.031 45.060 45.100 -0.118 0.000 0.960 124 G HN 0.365 nan 8.290 nan 0.000 0.497 125 G N -1.383 107.067 108.800 -0.584 0.000 2.491 125 G HA2 0.378 4.337 3.960 -0.000 0.000 0.238 125 G HA3 0.378 4.337 3.960 -0.000 0.000 0.238 125 G C 0.901 175.756 174.900 -0.075 0.000 1.277 125 G CA -0.242 44.530 45.100 -0.546 0.000 0.851 125 G HN 0.800 nan 8.290 nan 0.000 0.573 126 R N 0.802 121.368 120.500 0.110 0.000 2.334 126 R HA 0.492 4.832 4.340 -0.000 0.000 0.212 126 R C 1.032 177.501 176.300 0.281 0.000 0.897 126 R CA 0.342 56.545 56.100 0.171 0.000 1.056 126 R CB 0.219 30.515 30.300 -0.006 0.000 1.046 126 R HN 0.469 nan 8.270 nan 0.000 0.513 127 A N 1.215 124.240 122.820 0.342 0.000 2.406 127 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 127 A C -0.872 176.777 177.584 0.107 0.000 1.082 127 A CA -0.402 51.783 52.037 0.247 0.000 0.786 127 A CB -0.027 19.013 19.000 0.067 0.000 1.029 127 A HN 0.311 nan 8.150 nan 0.000 0.495 128 Y N -0.133 120.184 120.300 0.028 0.000 2.326 128 Y HA 0.409 4.959 4.550 -0.000 0.000 0.333 128 Y C 0.401 176.025 175.900 -0.461 0.000 1.240 128 Y CA 0.026 58.074 58.100 -0.087 0.000 1.365 128 Y CB 1.033 39.311 38.460 -0.303 0.000 1.289 128 Y HN 0.336 nan 8.280 nan 0.000 0.548 129 V N 3.082 122.861 119.914 -0.225 0.000 2.483 129 V HA 0.336 4.456 4.120 -0.000 0.000 0.297 129 V C -0.741 175.142 176.094 -0.351 0.000 1.027 129 V CA -1.003 60.892 62.300 -0.675 0.000 0.855 129 V CB 1.457 32.925 31.823 -0.593 0.000 0.995 129 V HN 0.468 nan 8.190 nan 0.000 0.424 130 V N 6.112 125.768 119.914 -0.431 0.000 2.370 130 V HA 0.378 4.498 4.120 -0.000 0.000 0.279 130 V C 0.062 176.027 176.094 -0.216 0.000 1.029 130 V CA -0.433 61.629 62.300 -0.396 0.000 0.870 130 V CB 1.462 32.948 31.823 -0.562 0.000 0.984 130 V HN 0.666 nan 8.190 nan 0.000 0.451 131 L N 4.449 125.542 121.223 -0.216 0.000 2.295 131 L HA 0.349 4.689 4.340 -0.000 0.000 0.288 131 L C 0.574 177.497 176.870 0.089 0.000 1.079 131 L CA 0.377 55.189 54.840 -0.047 0.000 0.830 131 L CB 0.981 43.011 42.059 -0.048 0.000 1.200 131 L HN 0.630 nan 8.230 nan 0.000 0.438 132 S N 5.257 121.016 115.700 0.100 0.000 2.448 132 S HA 0.602 5.072 4.470 -0.000 0.000 0.320 132 S C -0.451 174.196 174.600 0.077 0.000 1.071 132 S CA -0.569 57.742 58.200 0.185 0.000 1.113 132 S CB 0.304 63.672 63.200 0.280 0.000 0.972 132 S HN 0.429 nan 8.310 nan 0.000 0.465 133 L N 7.058 128.309 121.223 0.047 0.000 2.325 133 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 133 L C -1.615 175.193 176.870 -0.103 0.000 1.023 133 L CA -2.105 52.645 54.840 -0.151 0.000 0.811 133 L CB 2.306 44.150 42.059 -0.358 0.000 1.249 133 L HN 0.486 nan 8.230 nan 0.000 0.431 134 P HA 0.098 nan 4.420 nan 0.000 0.261 134 P C -0.716 176.435 177.300 -0.248 0.000 1.352 134 P CA 0.285 63.313 63.100 -0.120 0.000 0.891 134 P CB 0.482 32.133 31.700 -0.082 0.000 1.383 135 D N 0.647 120.803 120.400 -0.407 0.000 2.613 135 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 135 D C 1.218 177.274 176.300 -0.406 0.000 1.365 135 D CA -0.495 53.212 54.000 -0.489 0.000 0.976 135 D CB 1.293 41.506 40.800 -0.978 0.000 1.415 135 D HN -0.084 nan 8.370 nan 0.000 0.589 136 I N 0.674 121.101 120.570 -0.239 0.000 2.800 136 I HA 0.107 4.277 4.170 -0.000 0.000 0.266 136 I C 1.445 177.516 176.117 -0.077 0.000 1.249 136 I CA 0.947 62.150 61.300 -0.162 0.000 1.458 136 I CB 0.026 38.002 38.000 -0.040 0.000 1.093 136 I HN 0.322 nan 8.210 nan 0.000 0.466 137 G N -0.523 108.220 108.800 -0.095 0.000 3.141 137 G HA2 0.064 4.024 3.960 -0.000 0.000 0.218 137 G HA3 0.064 4.024 3.960 -0.000 0.000 0.218 137 G C 0.884 175.721 174.900 -0.104 0.000 1.170 137 G CA -0.154 44.958 45.100 0.020 0.000 0.769 137 G HN 0.630 nan 8.290 nan 0.000 0.546 138 H N -0.260 118.583 119.070 -0.379 0.000 2.507 138 H HA 0.080 4.636 4.556 -0.000 0.000 0.294 138 H C 1.529 176.584 175.328 -0.454 0.000 1.064 138 H CA -0.499 55.289 56.048 -0.432 0.000 1.138 138 H CB 0.292 29.821 29.762 -0.387 0.000 1.515 138 H HN 0.619 nan 8.280 nan 0.000 0.547 139 Y N 0.101 120.283 120.300 -0.196 0.000 2.298 139 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 139 Y C 1.770 177.709 175.900 0.065 0.000 1.164 139 Y CA 0.544 58.589 58.100 -0.093 0.000 1.229 139 Y CB -0.277 38.225 38.460 0.070 0.000 0.977 139 Y HN 0.072 nan 8.280 nan 0.000 0.538 140 E N 0.417 120.449 120.200 -0.280 0.000 2.204 140 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 140 E C 1.880 178.512 176.600 0.053 0.000 0.989 140 E CA 0.920 57.277 56.400 -0.072 0.000 0.824 140 E CB -0.605 28.971 29.700 -0.207 0.000 0.756 140 E HN 0.669 nan 8.360 nan 0.000 0.477 141 F N 1.333 121.221 119.950 -0.102 0.000 2.087 141 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 141 F C 2.215 178.113 175.800 0.163 0.000 1.100 141 F CA 1.393 59.392 58.000 -0.002 0.000 1.226 141 F CB -0.096 38.867 39.000 -0.063 0.000 0.983 141 F HN -0.182 nan 8.300 nan 0.000 0.479 142 V N 0.927 121.132 119.914 0.485 0.000 2.453 142 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 142 V C 2.391 178.682 176.094 0.329 0.000 1.048 142 V CA 2.034 64.621 62.300 0.479 0.000 1.049 142 V CB -0.617 31.476 31.823 0.450 0.000 0.672 142 V HN 0.299 nan 8.190 nan 0.000 0.457 143 R N 0.185 120.827 120.500 0.238 0.000 2.096 143 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 143 R C 2.437 178.812 176.300 0.125 0.000 1.127 143 R CA 1.471 57.670 56.100 0.166 0.000 0.968 143 R CB -0.779 29.612 30.300 0.151 0.000 0.861 143 R HN 0.581 nan 8.270 nan 0.000 0.440 144 G N 0.819 109.673 108.800 0.090 0.000 2.404 144 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 144 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 144 G C 1.240 176.170 174.900 0.050 0.000 1.174 144 G CA 0.255 45.371 45.100 0.026 0.000 0.780 144 G HN 0.221 nan 8.290 nan 0.000 0.537 145 F N 1.663 121.573 119.950 -0.067 0.000 2.043 145 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 145 F C 2.788 178.649 175.800 0.103 0.000 1.121 145 F CA 2.256 60.266 58.000 0.016 0.000 1.199 145 F CB -0.141 38.929 39.000 0.117 0.000 0.968 145 F HN 0.037 nan 8.300 nan 0.000 0.478 146 K N -0.049 120.551 120.400 0.333 0.000 2.063 146 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 146 K C 2.150 178.783 176.600 0.055 0.000 1.048 146 K CA 1.876 58.285 56.287 0.203 0.000 0.928 146 K CB -0.408 32.218 32.500 0.210 0.000 0.713 146 K HN 0.467 nan 8.250 nan 0.000 0.442 147 E N 0.682 120.910 120.200 0.046 0.000 2.038 147 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 147 E C 1.925 178.516 176.600 -0.015 0.000 1.000 147 E CA 1.449 57.859 56.400 0.016 0.000 0.803 147 E CB 0.102 29.814 29.700 0.019 0.000 0.750 147 E HN 0.044 nan 8.360 nan 0.000 0.448 148 V N 0.941 120.825 119.914 -0.050 0.000 2.255 148 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 148 V C 2.470 178.531 176.094 -0.055 0.000 1.051 148 V CA 1.518 63.781 62.300 -0.061 0.000 1.018 148 V CB -0.507 31.258 31.823 -0.098 0.000 0.641 148 V HN 0.284 nan 8.190 nan 0.000 0.445 149 L N -0.323 120.828 121.223 -0.121 0.000 2.012 149 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 149 L C 2.396 179.271 176.870 0.009 0.000 1.073 149 L CA 1.929 56.730 54.840 -0.065 0.000 0.748 149 L CB -0.895 41.077 42.059 -0.145 0.000 0.891 149 L HN 0.279 nan 8.230 nan 0.000 0.431 150 K N -0.629 119.767 120.400 -0.007 0.000 1.991 150 K HA -0.238 4.082 4.320 -0.000 0.000 0.212 150 K C 2.189 178.783 176.600 -0.010 0.000 1.049 150 K CA 1.592 57.877 56.287 -0.004 0.000 0.932 150 K CB -0.278 32.225 32.500 0.005 0.000 0.717 150 K HN 0.144 nan 8.250 nan 0.000 0.441 151 K N 0.949 121.346 120.400 -0.004 0.000 2.152 151 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 151 K C 1.446 178.047 176.600 0.002 0.000 1.048 151 K CA 1.300 57.585 56.287 -0.003 0.000 0.933 151 K CB 0.183 32.684 32.500 0.001 0.000 0.721 151 K HN 0.080 nan 8.250 nan 0.000 0.447 152 E N -0.692 119.529 120.200 0.034 0.000 2.489 152 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 152 E C 0.573 177.145 176.600 -0.046 0.000 1.057 152 E CA 0.677 57.127 56.400 0.083 0.000 0.866 152 E CB 0.596 30.428 29.700 0.220 0.000 0.916 152 E HN 0.539 nan 8.360 nan 0.000 0.500 153 G N 1.913 110.636 108.800 -0.128 0.000 2.204 153 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 153 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 153 G C 0.138 174.740 174.900 -0.496 0.000 1.062 153 G CA -0.019 44.913 45.100 -0.281 0.000 0.798 153 G HN 0.381 nan 8.290 nan 0.000 0.496 154 H N -0.796 118.232 119.070 -0.069 0.000 2.750 154 H HA 0.129 4.685 4.556 -0.000 0.000 0.239 154 H C 1.636 176.886 175.328 -0.131 0.000 1.210 154 H CA 0.387 56.368 56.048 -0.111 0.000 0.936 154 H CB 0.325 30.005 29.762 -0.137 0.000 2.074 154 H HN 0.769 nan 8.280 nan 0.000 0.622 155 E N 1.335 121.529 120.200 -0.010 0.000 2.338 155 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 155 E C 0.882 177.477 176.600 -0.008 0.000 1.007 155 E CA 1.150 57.547 56.400 -0.006 0.000 0.849 155 E CB 0.168 29.869 29.700 0.002 0.000 0.774 155 E HN 0.390 nan 8.360 nan 0.000 0.506 156 D N 1.992 122.379 120.400 -0.022 0.000 2.133 156 D HA -0.249 4.391 4.640 -0.000 0.000 0.195 156 D C 2.121 178.381 176.300 -0.066 0.000 0.997 156 D CA 1.114 55.102 54.000 -0.021 0.000 0.840 156 D CB -0.544 40.241 40.800 -0.025 0.000 0.947 156 D HN 0.367 nan 8.370 nan 0.000 0.452 157 L N 0.244 121.350 121.223 -0.194 0.000 2.265 157 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 157 L C 2.624 179.340 176.870 -0.257 0.000 1.117 157 L CA 0.297 54.850 54.840 -0.478 0.000 0.782 157 L CB -0.351 41.089 42.059 -1.032 0.000 0.914 157 L HN 0.007 nan 8.230 nan 0.000 0.441 158 L N -0.500 120.700 121.223 -0.039 0.000 2.456 158 L HA -0.160 4.180 4.340 -0.000 0.000 0.224 158 L C 2.273 179.290 176.870 0.245 0.000 1.148 158 L CA 0.753 55.681 54.840 0.147 0.000 0.825 158 L CB -0.369 41.779 42.059 0.149 0.000 0.937 158 L HN 0.331 nan 8.230 nan 0.000 0.450 159 E N 0.045 120.390 120.200 0.241 0.000 2.204 159 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 159 E C 1.297 178.243 176.600 0.577 0.000 0.989 159 E CA 0.631 57.280 56.400 0.414 0.000 0.824 159 E CB 0.145 30.009 29.700 0.273 0.000 0.756 159 E HN 0.301 nan 8.360 nan 0.000 0.477 160 K N 0.533 121.176 120.400 0.406 0.000 2.387 160 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 160 K C -0.071 176.922 176.600 0.656 0.000 1.022 160 K CA 0.088 56.648 56.287 0.456 0.000 1.128 160 K CB 0.876 33.532 32.500 0.260 0.000 0.853 160 K HN -0.069 nan 8.250 nan 0.000 0.523 161 V N 0.573 120.739 119.914 0.421 0.000 2.448 161 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 161 V C 0.497 176.143 176.094 -0.748 0.000 1.025 161 V CA -0.959 61.346 62.300 0.009 0.000 0.859 161 V CB 1.606 33.505 31.823 0.127 0.000 0.988 161 V HN 0.254 nan 8.190 nan 0.000 0.431 162 G N 3.022 111.140 108.800 -1.136 0.000 2.685 162 G HA2 0.780 4.740 3.960 -0.000 0.000 0.298 162 G HA3 0.780 4.740 3.960 -0.000 0.000 0.298 162 G C -2.005 172.169 174.900 -1.210 0.000 1.277 162 G CA -0.586 43.566 45.100 -1.579 0.000 0.986 162 G HN 0.468 nan 8.290 nan 0.000 0.487 163 Y N -0.724 119.414 120.300 -0.271 0.000 2.504 163 Y HA 0.515 5.065 4.550 -0.000 0.000 0.344 163 Y C -1.023 174.984 175.900 0.178 0.000 1.023 163 Y CA -1.120 56.978 58.100 -0.003 0.000 1.020 163 Y CB 3.002 41.446 38.460 -0.028 0.000 1.282 163 Y HN 0.443 nan 8.280 nan 0.000 0.454 164 D N 2.450 123.159 120.400 0.514 0.000 2.336 164 D HA 0.261 4.901 4.640 -0.000 0.000 0.248 164 D C -1.774 174.912 176.300 0.643 0.000 1.326 164 D CA -0.424 53.907 54.000 0.552 0.000 0.973 164 D CB 0.443 41.526 40.800 0.472 0.000 1.255 164 D HN 0.180 nan 8.370 nan 0.000 0.558 165 F N 2.205 122.316 119.950 0.268 0.000 2.404 165 F HA 0.400 4.927 4.527 -0.000 0.000 0.358 165 F C 1.075 176.870 175.800 -0.009 0.000 1.120 165 F CA -1.013 56.977 58.000 -0.018 0.000 1.144 165 F CB 0.912 39.676 39.000 -0.393 0.000 1.133 165 F HN 0.135 nan 8.300 nan 0.000 0.495 166 S N 1.027 116.807 115.700 0.133 0.000 2.667 166 S HA 0.927 5.397 4.470 -0.000 0.000 0.292 166 S C -0.036 174.506 174.600 -0.095 0.000 1.126 166 S CA -0.398 57.819 58.200 0.028 0.000 0.881 166 S CB 1.696 64.930 63.200 0.057 0.000 1.132 166 S HN 1.353 nan 8.310 nan 0.000 0.492 167 G N 1.052 109.727 108.800 -0.209 0.000 2.804 167 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.230 167 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.230 167 G C -3.241 171.542 174.900 -0.194 0.000 1.386 167 G CA -0.469 44.463 45.100 -0.281 0.000 0.875 167 G HN 0.777 nan 8.290 nan 0.000 0.557 168 P HA 0.332 nan 4.420 nan 0.000 0.273 168 P C 0.202 177.411 177.300 -0.152 0.000 1.250 168 P CA -0.206 62.815 63.100 -0.130 0.000 0.793 168 P CB 0.204 31.848 31.700 -0.094 0.000 1.011 169 Y N -0.772 119.478 120.300 -0.083 0.000 2.583 169 Y HA 0.116 4.666 4.550 -0.000 0.000 0.293 169 Y C 0.878 176.699 175.900 -0.132 0.000 1.157 169 Y CA 0.809 58.848 58.100 -0.101 0.000 1.315 169 Y CB -0.025 38.361 38.460 -0.122 0.000 1.021 169 Y HN 0.033 nan 8.280 nan 0.000 0.536 170 L N 0.274 121.505 121.223 0.014 0.000 2.365 170 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 170 L C -1.684 175.165 176.870 -0.035 0.000 1.000 170 L CA -1.868 52.957 54.840 -0.026 0.000 0.819 170 L CB 1.910 43.953 42.059 -0.026 0.000 1.284 170 L HN -0.153 nan 8.230 nan 0.000 0.418 171 P HA -0.004 nan 4.420 nan 0.000 0.231 171 P C -0.144 177.129 177.300 -0.045 0.000 1.168 171 P CA 0.510 63.588 63.100 -0.037 0.000 0.779 171 P CB 0.372 32.057 31.700 -0.025 0.000 0.844 172 S N -2.085 113.593 115.700 -0.037 0.000 2.607 172 S HA 0.462 4.932 4.470 -0.000 0.000 0.273 172 S C -0.769 173.809 174.600 -0.037 0.000 1.148 172 S CA -1.050 57.132 58.200 -0.029 0.000 0.833 172 S CB 0.748 63.953 63.200 0.009 0.000 1.130 172 S HN -0.139 nan 8.310 nan 0.000 0.470 173 L N 2.506 123.718 121.223 -0.018 0.000 2.453 173 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 173 L C -1.764 175.085 176.870 -0.035 0.000 1.182 173 L CA -1.584 53.213 54.840 -0.073 0.000 0.858 173 L CB 0.337 42.371 42.059 -0.040 0.000 1.120 173 L HN 0.570 nan 8.230 nan 0.000 0.474 174 P HA 0.043 nan 4.420 nan 0.000 0.269 174 P C -0.394 176.914 177.300 0.013 0.000 1.209 174 P CA -0.400 62.687 63.100 -0.022 0.000 0.776 174 P CB 0.325 32.006 31.700 -0.033 0.000 0.876 175 T N -0.735 113.835 114.554 0.028 0.000 2.802 175 T HA 0.105 4.455 4.350 -0.000 0.000 0.305 175 T C 1.621 176.372 174.700 0.085 0.000 1.053 175 T CA -0.629 61.503 62.100 0.053 0.000 1.058 175 T CB 0.212 69.108 68.868 0.047 0.000 0.988 175 T HN 0.252 nan 8.240 nan 0.000 0.539 176 L N 0.287 121.588 121.223 0.129 0.000 2.127 176 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 176 L C 2.550 179.550 176.870 0.216 0.000 1.089 176 L CA 2.026 57.010 54.840 0.240 0.000 0.757 176 L CB -0.574 41.646 42.059 0.268 0.000 0.899 176 L HN 0.873 nan 8.230 nan 0.000 0.434 177 D N -0.389 120.083 120.400 0.120 0.000 2.123 177 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 177 D C 2.151 178.444 176.300 -0.012 0.000 0.976 177 D CA 1.177 55.209 54.000 0.053 0.000 0.831 177 D CB 0.200 41.031 40.800 0.051 0.000 0.974 177 D HN 0.217 nan 8.370 nan 0.000 0.469 178 A N -0.432 122.387 122.820 -0.000 0.000 1.940 178 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 178 A C 2.332 179.893 177.584 -0.039 0.000 1.176 178 A CA 2.236 54.258 52.037 -0.026 0.000 0.631 178 A CB -1.104 17.890 19.000 -0.011 0.000 0.814 178 A HN 0.334 nan 8.150 nan 0.000 0.446 179 T N -1.432 113.120 114.554 -0.003 0.000 2.674 179 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 179 T C 1.828 176.458 174.700 -0.117 0.000 1.039 179 T CA 1.515 63.602 62.100 -0.022 0.000 1.150 179 T CB -0.544 68.408 68.868 0.140 0.000 0.864 179 T HN 0.753 nan 8.240 nan 0.000 0.427 180 H N 0.621 119.468 119.070 -0.372 0.000 2.390 180 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 180 H C 2.209 177.361 175.328 -0.292 0.000 1.106 180 H CA 1.053 56.717 56.048 -0.640 0.000 1.297 180 H CB 0.241 29.369 29.762 -1.058 0.000 1.375 180 H HN 0.193 nan 8.280 nan 0.000 0.509 181 E N 0.386 120.454 120.200 -0.221 0.000 2.107 181 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 181 E C 2.365 178.845 176.600 -0.199 0.000 0.982 181 E CA 0.763 57.015 56.400 -0.247 0.000 0.809 181 E CB -0.322 29.267 29.700 -0.185 0.000 0.756 181 E HN 0.565 nan 8.360 nan 0.000 0.459 182 A N 0.591 123.329 122.820 -0.137 0.000 1.883 182 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 182 A C 2.015 179.615 177.584 0.027 0.000 1.186 182 A CA 1.356 53.364 52.037 -0.048 0.000 0.624 182 A CB -0.892 18.159 19.000 0.084 0.000 0.822 182 A HN 0.215 nan 8.150 nan 0.000 0.444 183 Y N 0.373 120.658 120.300 -0.025 0.000 2.165 183 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 183 Y C 2.401 178.198 175.900 -0.172 0.000 1.155 183 Y CA 1.649 59.617 58.100 -0.221 0.000 1.164 183 Y CB -0.392 37.918 38.460 -0.250 0.000 0.978 183 Y HN 0.278 nan 8.280 nan 0.000 0.513 184 K N 0.320 120.687 120.400 -0.056 0.000 2.063 184 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 184 K C 1.903 178.418 176.600 -0.141 0.000 1.048 184 K CA 1.694 57.900 56.287 -0.136 0.000 0.928 184 K CB -0.217 32.142 32.500 -0.234 0.000 0.713 184 K HN 0.350 nan 8.250 nan 0.000 0.442 185 K N 0.251 120.518 120.400 -0.221 0.000 2.211 185 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 185 K C 2.056 178.579 176.600 -0.129 0.000 1.050 185 K CA 1.093 57.170 56.287 -0.350 0.000 0.945 185 K CB -0.030 31.894 32.500 -0.959 0.000 0.732 185 K HN 0.109 nan 8.250 nan 0.000 0.451 186 A N 0.749 123.593 122.820 0.041 0.000 2.067 186 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 186 A C 1.575 179.180 177.584 0.036 0.000 1.156 186 A CA 1.036 53.178 52.037 0.175 0.000 0.683 186 A CB -0.338 18.866 19.000 0.340 0.000 0.808 186 A HN 0.414 nan 8.150 nan 0.000 0.455 187 G N -1.613 107.171 108.800 -0.028 0.000 2.132 187 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.228 187 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.228 187 G C 0.031 174.859 174.900 -0.119 0.000 1.000 187 G CA 0.094 45.160 45.100 -0.056 0.000 0.693 187 G HN 0.820 nan 8.290 nan 0.000 0.515 188 V N 1.360 121.175 119.914 -0.165 0.000 2.385 188 V HA 0.498 4.618 4.120 -0.000 0.000 0.269 188 V C 0.519 176.515 176.094 -0.163 0.000 1.043 188 V CA 0.504 62.637 62.300 -0.278 0.000 0.906 188 V CB 1.450 32.990 31.823 -0.472 0.000 0.995 188 V HN 0.530 nan 8.190 nan 0.000 0.467 189 D N 2.163 122.475 120.400 -0.147 0.000 2.650 189 D HA 0.528 5.168 4.640 -0.000 0.000 0.265 189 D C 0.246 176.520 176.300 -0.044 0.000 1.339 189 D CA 0.099 54.062 54.000 -0.060 0.000 0.816 189 D CB 0.903 41.684 40.800 -0.033 0.000 1.091 189 D HN 0.769 nan 8.370 nan 0.000 0.483 190 G N -0.601 108.145 108.800 -0.089 0.000 2.321 190 G HA2 0.296 4.256 3.960 -0.000 0.000 0.298 190 G HA3 0.296 4.256 3.960 -0.000 0.000 0.298 190 G C -0.686 174.246 174.900 0.053 0.000 1.385 190 G CA -0.756 44.365 45.100 0.035 0.000 0.856 190 G HN 0.293 nan 8.290 nan 0.000 0.584 191 H N -1.736 117.257 119.070 -0.128 0.000 2.886 191 H HA -0.163 4.393 4.556 -0.000 0.000 0.294 191 H C -0.100 175.064 175.328 -0.274 0.000 1.246 191 H CA 0.749 56.523 56.048 -0.456 0.000 1.142 191 H CB -1.410 27.718 29.762 -1.057 0.000 1.358 191 H HN 0.453 nan 8.280 nan 0.000 0.406 192 I N 0.853 121.460 120.570 0.062 0.000 2.354 192 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 192 I C -0.044 176.250 176.117 0.295 0.000 0.989 192 I CA -0.352 60.935 61.300 -0.021 0.000 1.188 192 I CB 0.840 38.602 38.000 -0.398 0.000 1.342 192 I HN 0.048 nan 8.210 nan 0.000 0.457 193 W N 6.842 128.148 121.300 0.010 0.000 2.627 193 W HA 0.662 5.322 4.660 0.000 0.000 0.339 193 W C -0.802 175.821 176.519 0.172 0.000 1.058 193 W CA -0.796 56.603 57.345 0.089 0.000 1.223 193 W CB 1.443 30.960 29.460 0.094 0.000 1.389 193 W HN 0.192 nan 8.180 nan 0.000 0.541 194 L N 3.214 124.577 121.223 0.234 0.000 2.365 194 L HA 0.709 5.048 4.340 -0.000 0.000 0.273 194 L C -0.180 176.611 176.870 -0.132 0.000 1.000 194 L CA -0.305 54.599 54.840 0.107 0.000 0.819 194 L CB 1.363 43.431 42.059 0.015 0.000 1.284 194 L HN 0.424 nan 8.230 nan 0.000 0.418 195 S N 1.827 117.301 115.700 -0.378 0.000 2.532 195 S HA 0.774 5.244 4.470 -0.000 0.000 0.301 195 S C -1.123 173.227 174.600 -0.417 0.000 1.083 195 S CA -0.814 56.803 58.200 -0.971 0.000 1.025 195 S CB 2.093 64.271 63.200 -1.702 0.000 1.056 195 S HN 0.674 nan 8.310 nan 0.000 0.494 196 D N -1.142 119.018 120.400 -0.400 0.000 2.596 196 D HA 0.705 5.345 4.640 -0.000 0.000 0.234 196 D C 0.679 176.807 176.300 -0.287 0.000 1.181 196 D CA 0.500 54.436 54.000 -0.106 0.000 0.856 196 D CB 1.460 42.304 40.800 0.072 0.000 1.498 196 D HN 0.884 nan 8.370 nan 0.000 0.446 197 G N 1.239 109.943 108.800 -0.160 0.000 3.031 197 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.198 197 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.198 197 G C 1.272 176.110 174.900 -0.104 0.000 1.242 197 G CA 0.144 44.997 45.100 -0.411 0.000 0.878 197 G HN 0.549 nan 8.290 nan 0.000 0.493 198 L N 1.956 123.152 121.223 -0.045 0.000 2.058 198 L HA -0.133 4.207 4.340 -0.000 0.000 0.226 198 L C 1.968 178.785 176.870 -0.088 0.000 1.089 198 L CA 2.517 57.249 54.840 -0.181 0.000 0.799 198 L CB -0.709 41.228 42.059 -0.204 0.000 0.900 198 L HN 0.667 nan 8.230 nan 0.000 0.442 199 T N -1.357 113.222 114.554 0.042 0.000 2.780 199 T HA 0.244 4.594 4.350 -0.000 0.000 0.294 199 T C -0.235 174.522 174.700 0.095 0.000 0.949 199 T CA -0.784 61.365 62.100 0.082 0.000 1.074 199 T CB 0.329 69.369 68.868 0.287 0.000 0.910 199 T HN 0.307 nan 8.240 nan 0.000 0.501 200 N N 2.221 120.953 118.700 0.054 0.000 2.444 200 N HA 0.507 5.247 4.740 -0.000 0.000 0.271 200 N C -0.101 175.492 175.510 0.138 0.000 1.069 200 N CA -0.976 52.102 53.050 0.045 0.000 0.965 200 N CB 0.715 39.209 38.487 0.011 0.000 1.092 200 N HN 0.809 nan 8.380 nan 0.000 0.476 201 F N -0.898 119.064 119.950 0.021 0.000 2.856 201 F HA 0.466 4.993 4.527 -0.000 0.000 0.338 201 F C 0.111 175.924 175.800 0.022 0.000 1.005 201 F CA -0.476 57.532 58.000 0.014 0.000 1.155 201 F CB 0.818 39.829 39.000 0.018 0.000 1.010 201 F HN 0.377 nan 8.300 nan 0.000 0.587 202 S N 1.549 116.884 115.700 -0.609 0.000 2.387 202 S HA 0.340 4.810 4.470 -0.000 0.000 0.211 202 S C -2.145 172.262 174.600 -0.322 0.000 1.055 202 S CA -0.919 57.019 58.200 -0.436 0.000 1.133 202 S CB 0.739 63.554 63.200 -0.641 0.000 1.235 202 S HN -0.137 nan 8.310 nan 0.000 0.425 203 P HA -0.197 nan 4.420 nan 0.000 0.222 203 P C 1.259 178.504 177.300 -0.092 0.000 1.157 203 P CA 1.196 64.243 63.100 -0.089 0.000 0.905 203 P CB 0.236 31.902 31.700 -0.057 0.000 0.792 204 L N -2.047 119.117 121.223 -0.097 0.000 2.286 204 L HA 0.322 4.662 4.340 -0.000 0.000 0.203 204 L C 2.222 179.050 176.870 -0.069 0.000 1.068 204 L CA 1.651 56.452 54.840 -0.065 0.000 0.811 204 L CB -1.194 40.837 42.059 -0.048 0.000 0.989 204 L HN -0.102 nan 8.230 nan 0.000 0.467 205 G N -0.976 107.764 108.800 -0.100 0.000 2.559 205 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 205 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 205 G C 1.164 175.994 174.900 -0.117 0.000 1.126 205 G CA 0.668 45.711 45.100 -0.095 0.000 0.778 205 G HN 0.354 nan 8.290 nan 0.000 0.543 206 D N 0.081 120.387 120.400 -0.156 0.000 2.146 206 D HA 0.001 4.641 4.640 -0.000 0.000 0.209 206 D C 2.607 178.894 176.300 -0.022 0.000 0.973 206 D CA 0.363 54.297 54.000 -0.111 0.000 0.860 206 D CB -0.060 40.657 40.800 -0.138 0.000 1.015 206 D HN 0.057 nan 8.370 nan 0.000 0.465 207 M N 0.828 120.416 119.600 -0.021 0.000 2.108 207 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 207 M C 2.304 178.600 176.300 -0.007 0.000 1.066 207 M CA 0.941 56.237 55.300 -0.005 0.000 1.107 207 M CB -0.763 31.824 32.600 -0.021 0.000 1.356 207 M HN -0.032 nan 8.290 nan 0.000 0.406 208 A N -0.126 122.685 122.820 -0.015 0.000 1.986 208 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 208 A C 2.139 179.725 177.584 0.004 0.000 1.171 208 A CA 2.163 54.195 52.037 -0.008 0.000 0.640 208 A CB -0.717 18.276 19.000 -0.010 0.000 0.811 208 A HN 0.440 nan 8.150 nan 0.000 0.451 209 R N -0.747 119.759 120.500 0.010 0.000 2.073 209 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 209 R C 1.938 178.256 176.300 0.030 0.000 1.134 209 R CA 1.740 57.857 56.100 0.028 0.000 0.952 209 R CB -0.671 29.655 30.300 0.042 0.000 0.850 209 R HN 0.439 nan 8.270 nan 0.000 0.433 210 L N 0.682 121.926 121.223 0.035 0.000 2.056 210 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 210 L C 1.584 178.451 176.870 -0.004 0.000 1.078 210 L CA 1.891 56.748 54.840 0.028 0.000 0.749 210 L CB -0.433 41.648 42.059 0.037 0.000 0.901 210 L HN 0.062 nan 8.230 nan 0.000 0.433 211 K N -0.067 120.327 120.400 -0.009 0.000 2.057 211 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 211 K C 1.990 178.583 176.600 -0.012 0.000 1.050 211 K CA 1.553 57.831 56.287 -0.015 0.000 0.935 211 K CB -0.347 32.144 32.500 -0.014 0.000 0.715 211 K HN 0.603 nan 8.250 nan 0.000 0.439 212 E N 0.944 121.142 120.200 -0.003 0.000 2.077 212 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 212 E C 1.895 178.489 176.600 -0.010 0.000 0.989 212 E CA 1.234 57.636 56.400 0.003 0.000 0.800 212 E CB -0.013 29.698 29.700 0.019 0.000 0.746 212 E HN 0.202 nan 8.360 nan 0.000 0.452 213 A N 1.187 123.996 122.820 -0.017 0.000 1.873 213 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 213 A C 2.228 179.760 177.584 -0.086 0.000 1.186 213 A CA 1.273 53.278 52.037 -0.054 0.000 0.616 213 A CB -0.614 18.361 19.000 -0.041 0.000 0.823 213 A HN 0.347 nan 8.150 nan 0.000 0.442 214 I N -0.478 120.057 120.570 -0.059 0.000 2.163 214 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 214 I C 2.566 178.650 176.117 -0.054 0.000 1.085 214 I CA 2.008 63.274 61.300 -0.057 0.000 1.347 214 I CB -0.191 37.787 38.000 -0.037 0.000 1.044 214 I HN 0.362 nan 8.210 nan 0.000 0.408 215 K N 0.207 120.583 120.400 -0.040 0.000 2.148 215 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 215 K C 2.319 178.892 176.600 -0.046 0.000 1.050 215 K CA 1.461 57.729 56.287 -0.032 0.000 0.942 215 K CB -0.031 32.458 32.500 -0.017 0.000 0.724 215 K HN 0.139 nan 8.250 nan 0.000 0.446 216 S N 0.738 116.399 115.700 -0.064 0.000 2.345 216 S HA -0.165 4.305 4.470 -0.000 0.000 0.220 216 S C 2.067 176.567 174.600 -0.168 0.000 1.031 216 S CA 1.172 59.314 58.200 -0.097 0.000 0.996 216 S CB -0.310 62.823 63.200 -0.112 0.000 0.882 216 S HN 0.411 nan 8.310 nan 0.000 0.445 217 R N 0.508 120.885 120.500 -0.204 0.000 2.103 217 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 217 R C 0.820 177.048 176.300 -0.120 0.000 1.142 217 R CA 2.114 58.091 56.100 -0.205 0.000 0.960 217 R CB -0.545 29.649 30.300 -0.176 0.000 0.858 217 R HN 0.363 nan 8.270 nan 0.000 0.439 218 D N 0.484 120.836 120.400 -0.080 0.000 2.340 218 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 218 D C 0.175 176.447 176.300 -0.046 0.000 1.039 218 D CA 0.405 54.374 54.000 -0.051 0.000 0.866 218 D CB 0.336 41.118 40.800 -0.029 0.000 0.913 218 D HN 0.265 nan 8.370 nan 0.000 0.523 219 S N -0.470 115.201 115.700 -0.048 0.000 2.584 219 S HA 0.501 4.971 4.470 -0.000 0.000 0.273 219 S C 1.519 176.103 174.600 -0.027 0.000 1.311 219 S CA -0.304 57.879 58.200 -0.029 0.000 1.034 219 S CB 2.204 65.394 63.200 -0.017 0.000 0.939 219 S HN 0.046 nan 8.310 nan 0.000 0.513 220 A N 2.679 125.489 122.820 -0.016 0.000 1.917 220 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 220 A C 1.857 179.442 177.584 0.002 0.000 1.182 220 A CA 1.834 53.865 52.037 -0.010 0.000 0.633 220 A CB -1.085 17.912 19.000 -0.005 0.000 0.819 220 A HN 0.983 nan 8.150 nan 0.000 0.448 221 N N 0.631 119.340 118.700 0.015 0.000 2.421 221 N HA 0.107 4.847 4.740 -0.000 0.000 0.201 221 N C 0.671 176.207 175.510 0.044 0.000 1.198 221 N CA 0.629 53.703 53.050 0.039 0.000 0.838 221 N CB -0.703 37.817 38.487 0.056 0.000 1.011 221 N HN 0.329 nan 8.380 nan 0.000 0.463 222 G N 0.576 109.373 108.800 -0.006 0.000 2.441 222 G HA2 0.276 4.236 3.960 -0.000 0.000 0.243 222 G HA3 0.276 4.236 3.960 -0.000 0.000 0.243 222 G C 0.255 175.115 174.900 -0.067 0.000 1.281 222 G CA -0.622 44.433 45.100 -0.075 0.000 0.854 222 G HN 0.368 nan 8.290 nan 0.000 0.560 223 F N 0.405 120.221 119.950 -0.224 0.000 2.720 223 F HA 0.477 5.004 4.527 -0.000 0.000 0.301 223 F C 0.542 176.219 175.800 -0.206 0.000 1.103 223 F CA -0.851 56.979 58.000 -0.282 0.000 1.291 223 F CB 0.104 38.733 39.000 -0.618 0.000 1.086 223 F HN 0.118 nan 8.300 nan 0.000 0.592 224 I N 2.265 122.398 120.570 -0.728 0.000 2.371 224 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 224 I C 0.263 176.235 176.117 -0.242 0.000 1.028 224 I CA -0.070 60.944 61.300 -0.478 0.000 1.345 224 I CB 1.218 38.883 38.000 -0.558 0.000 1.407 224 I HN 0.140 nan 8.210 nan 0.000 0.501 225 N N 4.257 122.881 118.700 -0.126 0.000 2.258 225 N HA 0.062 4.802 4.740 -0.000 0.000 0.183 225 N C -0.212 175.175 175.510 -0.205 0.000 1.029 225 N CA 0.688 53.691 53.050 -0.079 0.000 0.857 225 N CB 0.238 38.769 38.487 0.073 0.000 1.008 225 N HN 0.384 nan 8.380 nan 0.000 0.433 226 K N 0.737 120.888 120.400 -0.415 0.000 2.328 226 K HA 0.482 4.802 4.320 -0.000 0.000 0.246 226 K C -0.964 175.292 176.600 -0.573 0.000 0.955 226 K CA -0.429 55.412 56.287 -0.744 0.000 0.817 226 K CB 2.402 33.858 32.500 -1.739 0.000 1.208 226 K HN 0.008 nan 8.250 nan 0.000 0.432 227 I N 2.780 123.098 120.570 -0.420 0.000 2.436 227 I HA 0.354 4.523 4.170 -0.000 0.000 0.289 227 I C -0.722 175.298 176.117 -0.162 0.000 1.010 227 I CA -1.149 60.016 61.300 -0.225 0.000 1.098 227 I CB 1.171 39.086 38.000 -0.143 0.000 1.266 227 I HN 0.529 nan 8.210 nan 0.000 0.434 228 Y N 4.351 124.447 120.300 -0.340 0.000 2.468 228 Y HA 0.671 5.221 4.550 -0.000 0.000 0.342 228 Y C -1.500 174.298 175.900 -0.170 0.000 1.021 228 Y CA -1.306 56.644 58.100 -0.250 0.000 1.079 228 Y CB 1.319 39.628 38.460 -0.252 0.000 1.226 228 Y HN 0.451 nan 8.280 nan 0.000 0.460 229 Y N 4.419 124.638 120.300 -0.135 0.000 2.364 229 Y HA 0.560 5.110 4.550 -0.000 0.000 0.340 229 Y C -1.704 174.221 175.900 0.042 0.000 0.975 229 Y CA -1.360 56.671 58.100 -0.114 0.000 1.089 229 Y CB 1.126 39.565 38.460 -0.036 0.000 1.192 229 Y HN 0.841 nan 8.280 nan 0.000 0.454 230 W N 3.044 124.036 121.300 -0.514 0.000 3.022 230 W HA 0.799 5.459 4.660 -0.000 0.000 0.335 230 W C -1.786 174.443 176.519 -0.483 0.000 1.133 230 W CA -2.253 54.880 57.345 -0.352 0.000 1.219 230 W CB 0.708 30.015 29.460 -0.255 0.000 1.409 230 W HN 0.395 nan 8.180 nan 0.000 0.507 231 S N 0.980 116.623 115.700 -0.095 0.000 2.537 231 S HA 0.740 5.210 4.470 -0.000 0.000 0.301 231 S C -1.154 173.515 174.600 0.116 0.000 1.092 231 S CA -0.662 57.541 58.200 0.005 0.000 1.048 231 S CB 1.829 64.915 63.200 -0.191 0.000 1.053 231 S HN 0.327 nan 8.310 nan 0.000 0.501 232 V N 3.277 123.294 119.914 0.171 0.000 2.350 232 V HA 0.377 4.497 4.120 -0.000 0.000 0.285 232 V C -0.497 175.692 176.094 0.158 0.000 1.014 232 V CA -0.443 61.963 62.300 0.177 0.000 0.831 232 V CB 1.585 33.523 31.823 0.191 0.000 1.000 232 V HN 0.846 nan 8.190 nan 0.000 0.433 233 D N 2.242 122.742 120.400 0.166 0.000 2.479 233 D HA 0.188 4.828 4.640 -0.000 0.000 0.216 233 D C 0.566 176.970 176.300 0.173 0.000 1.110 233 D CA 0.302 54.457 54.000 0.258 0.000 0.841 233 D CB 0.859 41.880 40.800 0.369 0.000 1.040 233 D HN 0.426 nan 8.370 nan 0.000 0.505 234 K N 0.354 120.810 120.400 0.092 0.000 2.166 234 K HA 0.353 4.673 4.320 -0.000 0.000 0.245 234 K C 1.061 177.663 176.600 0.002 0.000 0.967 234 K CA -0.650 55.657 56.287 0.033 0.000 0.863 234 K CB 2.970 35.480 32.500 0.017 0.000 1.107 234 K HN -0.327 nan 8.250 nan 0.000 0.436 235 V N 1.079 120.977 119.914 -0.028 0.000 2.287 235 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 235 V C 2.375 178.416 176.094 -0.089 0.000 1.053 235 V CA 2.535 64.794 62.300 -0.069 0.000 1.027 235 V CB -0.682 31.096 31.823 -0.076 0.000 0.646 235 V HN 0.990 nan 8.190 nan 0.000 0.447 236 S N -0.474 115.192 115.700 -0.057 0.000 2.353 236 S HA -0.298 4.172 4.470 -0.000 0.000 0.222 236 S C 2.114 176.686 174.600 -0.047 0.000 1.035 236 S CA 2.289 60.460 58.200 -0.049 0.000 1.025 236 S CB -1.045 62.139 63.200 -0.026 0.000 0.902 236 S HN 0.574 nan 8.310 nan 0.000 0.440 237 T N 1.007 115.543 114.554 -0.030 0.000 2.904 237 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 237 T C 1.801 176.475 174.700 -0.044 0.000 1.059 237 T CA 1.929 64.012 62.100 -0.027 0.000 1.137 237 T CB -1.159 67.714 68.868 0.009 0.000 0.879 237 T HN 0.595 nan 8.240 nan 0.000 0.467 238 T N 1.824 116.352 114.554 -0.042 0.000 2.674 238 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 238 T C 1.988 176.614 174.700 -0.123 0.000 1.039 238 T CA 1.322 63.384 62.100 -0.064 0.000 1.150 238 T CB -0.197 68.634 68.868 -0.061 0.000 0.864 238 T HN 0.468 nan 8.240 nan 0.000 0.427 239 K N 1.074 121.370 120.400 -0.174 0.000 2.063 239 K HA -0.030 4.290 4.320 -0.000 0.000 0.208 239 K C 2.683 179.296 176.600 0.021 0.000 1.048 239 K CA 1.241 57.419 56.287 -0.181 0.000 0.928 239 K CB -0.331 31.990 32.500 -0.297 0.000 0.713 239 K HN 0.297 nan 8.250 nan 0.000 0.442 240 A N 1.572 124.375 122.820 -0.028 0.000 1.877 240 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 240 A C 2.397 179.925 177.584 -0.094 0.000 1.186 240 A CA 1.940 53.955 52.037 -0.036 0.000 0.620 240 A CB -0.738 18.226 19.000 -0.061 0.000 0.822 240 A HN 0.346 nan 8.150 nan 0.000 0.443 241 A N -0.318 122.414 122.820 -0.146 0.000 1.902 241 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 241 A C 2.192 179.667 177.584 -0.181 0.000 1.181 241 A CA 1.509 53.422 52.037 -0.207 0.000 0.623 241 A CB -0.643 18.253 19.000 -0.173 0.000 0.818 241 A HN 0.473 nan 8.150 nan 0.000 0.443 242 L N -0.429 120.666 121.223 -0.212 0.000 2.012 242 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 242 L C 2.021 178.709 176.870 -0.303 0.000 1.073 242 L CA 1.623 56.191 54.840 -0.454 0.000 0.748 242 L CB -0.638 41.013 42.059 -0.680 0.000 0.891 242 L HN 0.321 nan 8.230 nan 0.000 0.431 243 D N -0.843 119.544 120.400 -0.022 0.000 2.224 243 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 243 D C 2.170 178.505 176.300 0.058 0.000 0.965 243 D CA 0.836 54.912 54.000 0.128 0.000 0.852 243 D CB -0.039 40.845 40.800 0.141 0.000 0.947 243 D HN 0.102 nan 8.370 nan 0.000 0.494 244 V N -0.143 119.761 119.914 -0.017 0.000 2.970 244 V HA 0.056 4.176 4.120 -0.000 0.000 0.260 244 V C 1.437 177.518 176.094 -0.021 0.000 1.100 244 V CA 1.626 63.905 62.300 -0.036 0.000 1.122 244 V CB -0.056 31.711 31.823 -0.092 0.000 0.721 244 V HN 0.448 nan 8.190 nan 0.000 0.483 245 G N -0.232 108.558 108.800 -0.018 0.000 2.143 245 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.175 245 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.175 245 G C 0.150 175.038 174.900 -0.020 0.000 1.004 245 G CA 0.122 45.235 45.100 0.022 0.000 0.671 245 G HN 1.272 nan 8.290 nan 0.000 0.512 246 V N -1.966 117.906 119.914 -0.071 0.000 3.096 246 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 246 V C 0.986 177.032 176.094 -0.079 0.000 1.088 246 V CA 0.705 62.961 62.300 -0.073 0.000 1.129 246 V CB 1.209 33.000 31.823 -0.054 0.000 1.014 246 V HN 0.136 nan 8.190 nan 0.000 0.486 247 D N 2.137 122.481 120.400 -0.094 0.000 2.367 247 D HA 0.239 4.879 4.640 -0.000 0.000 0.207 247 D C 0.744 177.062 176.300 0.030 0.000 1.034 247 D CA 1.228 55.193 54.000 -0.059 0.000 0.861 247 D CB 0.979 41.677 40.800 -0.171 0.000 0.943 247 D HN 0.887 nan 8.370 nan 0.000 0.515 248 G N 0.770 109.564 108.800 -0.010 0.000 2.701 248 G HA2 0.497 4.457 3.960 -0.000 0.000 0.300 248 G HA3 0.497 4.457 3.960 -0.000 0.000 0.300 248 G C -1.126 173.860 174.900 0.142 0.000 1.410 248 G CA -0.386 44.774 45.100 0.100 0.000 1.014 248 G HN -0.104 nan 8.290 nan 0.000 0.509 249 I N 2.458 123.132 120.570 0.173 0.000 2.411 249 I HA 0.348 4.518 4.170 -0.000 0.000 0.284 249 I C 0.102 176.357 176.117 0.230 0.000 1.012 249 I CA -0.860 60.548 61.300 0.180 0.000 1.119 249 I CB 1.455 39.525 38.000 0.117 0.000 1.261 249 I HN 0.534 nan 8.210 nan 0.000 0.448 250 M N 6.000 125.765 119.600 0.274 0.000 2.146 250 M HA 0.388 4.868 4.480 -0.000 0.000 0.357 250 M C -0.327 176.109 176.300 0.226 0.000 1.261 250 M CA 0.532 56.021 55.300 0.315 0.000 1.106 250 M CB 0.838 33.734 32.600 0.493 0.000 1.612 250 M HN 0.713 nan 8.290 nan 0.000 0.470 251 T N 2.605 117.272 114.554 0.188 0.000 2.894 251 T HA 0.381 4.731 4.350 -0.000 0.000 0.309 251 T C 0.201 174.940 174.700 0.065 0.000 1.208 251 T CA -0.863 61.315 62.100 0.128 0.000 1.016 251 T CB 1.147 70.108 68.868 0.155 0.000 1.192 251 T HN 0.804 nan 8.240 nan 0.000 0.491 252 N N 1.455 120.105 118.700 -0.083 0.000 2.463 252 N HA 0.070 4.810 4.740 -0.000 0.000 0.181 252 N C -0.815 174.362 175.510 -0.555 0.000 1.078 252 N CA 0.714 53.535 53.050 -0.383 0.000 0.902 252 N CB 0.192 38.253 38.487 -0.709 0.000 0.970 252 N HN 0.585 nan 8.380 nan 0.000 0.451 253 Y N -1.023 119.428 120.300 0.250 0.000 2.563 253 Y HA 0.351 4.901 4.550 -0.000 0.000 0.351 253 Y C -1.987 174.005 175.900 0.152 0.000 1.087 253 Y CA -1.972 56.240 58.100 0.187 0.000 1.272 253 Y CB 1.559 40.083 38.460 0.106 0.000 1.095 253 Y HN -0.118 nan 8.280 nan 0.000 0.620 254 P HA -0.197 nan 4.420 nan 0.000 0.218 254 P C 1.300 178.684 177.300 0.140 0.000 1.146 254 P CA 1.715 64.932 63.100 0.195 0.000 0.813 254 P CB 0.332 32.155 31.700 0.204 0.000 0.778 255 N N -0.559 118.222 118.700 0.136 0.000 2.272 255 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 255 N C 1.462 177.010 175.510 0.064 0.000 1.014 255 N CA 1.145 54.243 53.050 0.079 0.000 0.870 255 N CB -1.337 37.185 38.487 0.059 0.000 0.975 255 N HN 0.065 nan 8.380 nan 0.000 0.433 256 V N 1.611 121.581 119.914 0.093 0.000 2.237 256 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 256 V C 2.626 178.735 176.094 0.024 0.000 1.046 256 V CA 1.465 63.799 62.300 0.055 0.000 1.007 256 V CB -0.794 31.083 31.823 0.090 0.000 0.638 256 V HN 0.218 nan 8.190 nan 0.000 0.445 257 L N -0.133 121.114 121.223 0.041 0.000 2.043 257 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 257 L C 2.214 179.090 176.870 0.010 0.000 1.075 257 L CA 2.002 56.851 54.840 0.014 0.000 0.752 257 L CB -0.633 41.446 42.059 0.034 0.000 0.891 257 L HN 0.189 nan 8.230 nan 0.000 0.432 258 I N -0.209 120.376 120.570 0.024 0.000 2.226 258 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 258 I C 2.574 178.698 176.117 0.012 0.000 1.100 258 I CA 1.431 62.742 61.300 0.019 0.000 1.374 258 I CB -2.323 35.691 38.000 0.023 0.000 1.057 258 I HN 0.390 nan 8.210 nan 0.000 0.413 259 G N 0.361 109.163 108.800 0.004 0.000 2.402 259 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 259 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 259 G C 1.868 176.758 174.900 -0.018 0.000 1.162 259 G CA 0.809 45.905 45.100 -0.006 0.000 0.777 259 G HN 0.271 nan 8.290 nan 0.000 0.539 260 V N 1.075 120.961 119.914 -0.046 0.000 2.343 260 V HA -0.093 4.027 4.120 -0.000 0.000 0.247 260 V C 2.793 178.884 176.094 -0.005 0.000 1.051 260 V CA 1.276 63.509 62.300 -0.111 0.000 1.036 260 V CB -0.383 31.320 31.823 -0.201 0.000 0.654 260 V HN 0.338 nan 8.190 nan 0.000 0.451 261 L N -0.490 120.760 121.223 0.045 0.000 2.549 261 L HA -0.131 4.209 4.340 -0.000 0.000 0.230 261 L C 2.202 179.131 176.870 0.098 0.000 1.162 261 L CA 1.215 56.123 54.840 0.114 0.000 0.834 261 L CB -0.488 41.615 42.059 0.074 0.000 0.947 261 L HN 0.337 nan 8.230 nan 0.000 0.452 262 K N -0.483 119.956 120.400 0.066 0.000 2.352 262 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 262 K C 0.318 176.961 176.600 0.072 0.000 1.038 262 K CA 0.018 56.338 56.287 0.055 0.000 1.023 262 K CB 0.351 32.869 32.500 0.030 0.000 0.840 262 K HN 0.339 nan 8.250 nan 0.000 0.519 263 E N 1.507 121.767 120.200 0.099 0.000 2.366 263 E HA 0.100 4.450 4.350 -0.000 0.000 0.266 263 E C -0.519 176.195 176.600 0.191 0.000 1.051 263 E CA -0.204 56.272 56.400 0.125 0.000 0.884 263 E CB 1.120 30.880 29.700 0.100 0.000 1.006 263 E HN -0.044 nan 8.360 nan 0.000 0.417 264 S N 0.772 116.556 115.700 0.139 0.000 2.549 264 S HA 0.239 4.709 4.470 -0.000 0.000 0.286 264 S C 1.129 175.812 174.600 0.138 0.000 1.314 264 S CA 0.584 58.845 58.200 0.102 0.000 1.062 264 S CB 0.760 63.996 63.200 0.060 0.000 0.865 264 S HN 0.858 nan 8.310 nan 0.000 0.498 265 G N 1.601 110.399 108.800 -0.002 0.000 2.217 265 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 265 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 265 G C 0.405 174.982 174.900 -0.539 0.000 0.990 265 G CA 0.549 45.519 45.100 -0.217 0.000 0.627 265 G HN 0.703 nan 8.290 nan 0.000 0.522 266 Y N 0.645 120.977 120.300 0.054 0.000 2.673 266 Y HA 0.141 4.691 4.550 -0.000 0.000 0.278 266 Y C 2.378 178.323 175.900 0.076 0.000 1.127 266 Y CA 0.805 59.000 58.100 0.159 0.000 1.261 266 Y CB -0.490 38.093 38.460 0.204 0.000 1.412 266 Y HN 0.307 nan 8.280 nan 0.000 0.496 267 N N 0.463 119.259 118.700 0.159 0.000 2.348 267 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 267 N C 0.831 176.335 175.510 -0.011 0.000 1.019 267 N CA 1.754 54.849 53.050 0.074 0.000 0.880 267 N CB -0.631 37.893 38.487 0.061 0.000 0.965 267 N HN 0.556 nan 8.380 nan 0.000 0.437 268 D N -0.519 119.837 120.400 -0.073 0.000 2.360 268 D HA -0.003 4.637 4.640 -0.000 0.000 0.210 268 D C 0.880 177.054 176.300 -0.210 0.000 1.047 268 D CA 0.390 54.320 54.000 -0.116 0.000 0.854 268 D CB 0.085 40.821 40.800 -0.107 0.000 0.936 268 D HN 0.319 nan 8.370 nan 0.000 0.514 269 K N -1.134 119.042 120.400 -0.373 0.000 2.474 269 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 269 K C -0.462 175.700 176.600 -0.731 0.000 1.248 269 K CA 0.106 55.985 56.287 -0.679 0.000 0.946 269 K CB 1.049 32.842 32.500 -1.179 0.000 1.102 269 K HN 0.018 nan 8.250 nan 0.000 0.541 270 Y N 1.208 121.474 120.300 -0.056 0.000 2.512 270 Y HA 0.438 4.988 4.550 -0.000 0.000 0.348 270 Y C -0.479 175.381 175.900 -0.067 0.000 0.990 270 Y CA -1.442 56.612 58.100 -0.077 0.000 1.033 270 Y CB 1.531 39.978 38.460 -0.021 0.000 1.259 270 Y HN -0.115 nan 8.280 nan 0.000 0.461 271 R N 1.157 121.684 120.500 0.044 0.000 2.740 271 R HA 0.693 5.033 4.340 -0.000 0.000 0.273 271 R C -1.992 174.257 176.300 -0.084 0.000 0.998 271 R CA -1.166 54.924 56.100 -0.017 0.000 0.900 271 R CB 1.667 31.939 30.300 -0.047 0.000 1.223 271 R HN 0.634 nan 8.270 nan 0.000 0.466 272 L N 2.355 123.525 121.223 -0.089 0.000 2.534 272 L HA 0.272 4.612 4.340 -0.000 0.000 0.271 272 L C 0.161 176.873 176.870 -0.263 0.000 1.178 272 L CA 0.549 55.296 54.840 -0.155 0.000 0.907 272 L CB 0.584 42.585 42.059 -0.096 0.000 1.164 272 L HN 0.883 nan 8.230 nan 0.000 0.482 273 A N 3.841 126.362 122.820 -0.498 0.000 2.555 273 A HA 0.427 4.747 4.320 -0.000 0.000 0.233 273 A C 0.519 177.838 177.584 -0.441 0.000 1.060 273 A CA 0.472 52.077 52.037 -0.720 0.000 0.759 273 A CB -0.285 17.624 19.000 -1.818 0.000 0.995 273 A HN 0.876 nan 8.150 nan 0.000 0.506 274 T N -1.509 112.873 114.554 -0.286 0.000 2.910 274 T HA 0.417 4.767 4.350 -0.000 0.000 0.287 274 T C 0.643 175.345 174.700 0.003 0.000 1.050 274 T CA -0.048 62.001 62.100 -0.085 0.000 1.011 274 T CB 0.560 69.422 68.868 -0.011 0.000 1.195 274 T HN 0.593 nan 8.240 nan 0.000 0.540 275 Y N 0.492 120.807 120.300 0.025 0.000 2.384 275 Y HA -0.080 4.470 4.550 -0.000 0.000 0.289 275 Y C 1.764 177.732 175.900 0.113 0.000 1.152 275 Y CA 1.738 59.909 58.100 0.118 0.000 1.258 275 Y CB -0.353 38.200 38.460 0.155 0.000 0.979 275 Y HN 0.650 nan 8.280 nan 0.000 0.549 276 D N -0.160 120.294 120.400 0.091 0.000 2.317 276 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 276 D C -0.204 176.072 176.300 -0.040 0.000 0.966 276 D CA 0.742 54.758 54.000 0.028 0.000 0.876 276 D CB -0.207 40.637 40.800 0.073 0.000 0.927 276 D HN 0.377 nan 8.370 nan 0.000 0.519 277 D N 1.569 121.933 120.400 -0.061 0.000 2.344 277 D HA 0.001 4.640 4.640 -0.000 0.000 0.253 277 D C 0.145 176.412 176.300 -0.054 0.000 1.255 277 D CA -0.120 53.862 54.000 -0.031 0.000 0.894 277 D CB 0.249 40.997 40.800 -0.087 0.000 1.067 277 D HN -0.101 nan 8.370 nan 0.000 0.492 278 N N 3.648 122.278 118.700 -0.117 0.000 2.438 278 N HA 0.010 4.750 4.740 -0.000 0.000 0.267 278 N C -1.496 173.774 175.510 -0.400 0.000 1.222 278 N CA -1.394 51.447 53.050 -0.349 0.000 0.930 278 N CB 0.948 39.317 38.487 -0.197 0.000 1.083 278 N HN 0.152 nan 8.380 nan 0.000 0.476 279 P HA -0.048 nan 4.420 nan 0.000 0.233 279 P C 0.097 177.143 177.300 -0.425 0.000 1.167 279 P CA 1.036 63.580 63.100 -0.926 0.000 0.770 279 P CB -0.073 30.683 31.700 -1.572 0.000 0.837 280 W N 0.555 121.709 121.300 -0.243 0.000 3.316 280 W HA 0.276 4.936 4.660 -0.000 0.000 0.327 280 W C 0.623 177.094 176.519 -0.080 0.000 1.232 280 W CA -0.758 56.486 57.345 -0.169 0.000 1.805 280 W CB 0.260 29.462 29.460 -0.430 0.000 1.090 280 W HN -0.007 nan 8.180 nan 0.000 0.654 281 E N 1.687 121.925 120.200 0.065 0.000 2.109 281 E HA 0.167 4.517 4.350 -0.000 0.000 0.278 281 E C -0.133 176.506 176.600 0.064 0.000 0.954 281 E CA -0.367 56.073 56.400 0.066 0.000 0.779 281 E CB 0.876 30.604 29.700 0.048 0.000 1.093 281 E HN -0.232 nan 8.360 nan 0.000 0.401 282 T N 5.044 119.627 114.554 0.049 0.000 2.867 282 T HA -0.018 4.332 4.350 -0.000 0.000 0.297 282 T C -0.070 174.676 174.700 0.076 0.000 0.989 282 T CA -0.041 62.078 62.100 0.033 0.000 1.159 282 T CB -0.147 68.715 68.868 -0.011 0.000 0.928 282 T HN 0.339 nan 8.240 nan 0.000 0.538 283 F N 3.432 123.369 119.950 -0.022 0.000 2.484 283 F HA 0.290 4.817 4.527 -0.000 0.000 0.360 283 F C 0.563 176.357 175.800 -0.009 0.000 1.101 283 F CA -0.407 57.593 58.000 0.000 0.000 1.251 283 F CB 0.420 39.433 39.000 0.021 0.000 1.132 283 F HN 0.375 nan 8.300 nan 0.000 0.570 284 K N 5.549 125.375 120.400 -0.957 0.000 2.507 284 K HA 0.249 4.569 4.320 -0.000 0.000 0.253 284 K C -0.500 175.586 176.600 -0.857 0.000 0.969 284 K CA -0.834 55.063 56.287 -0.651 0.000 0.908 284 K CB 0.839 33.127 32.500 -0.355 0.000 1.127 284 K HN 0.668 nan 8.250 nan 0.000 0.437 285 N N 0.000 118.394 118.700 -0.511 0.000 1.763 285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 285 N CA 0.000 52.902 53.050 -0.247 0.000 0.885 285 N CB 0.000 38.462 38.487 -0.041 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667