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 2c5q_1_B DATA FIRST_RESID 2 DATA SEQUENCE SDLQKLQRFS TCDISDGLLN VYNIPTGGYF PNLTAISPPQ NSSIVGTAYT DATA SEQUENCE VLFAPIDDPR PAVNYIDSVP PNSILVLALE PHLQSQFHPF IKITQAMYGG DATA SEQUENCE LMSTRAQYLK SNGTVVFGRI RDVDEHRTLN HPVFAYGVGS CAPKAVVKAV DATA SEQUENCE GTNVQLKILT SDGVTQTIXP GDYIAGDNNG IVRIPVQETD ISKLVTYIEK DATA SEQUENCE SIEVDLLVSE DIKNGIPAKQ AQNDRRSVLK KY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.566 174.600 -0.057 0.000 1.055 2 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 2 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 3 D N 0.678 121.051 120.400 -0.045 0.000 2.127 3 D HA -0.104 4.536 4.640 -0.000 0.000 0.190 3 D C 1.990 178.145 176.300 -0.242 0.000 1.000 3 D CA 1.666 55.586 54.000 -0.133 0.000 0.839 3 D CB -0.263 40.491 40.800 -0.077 0.000 0.955 3 D HN 0.375 nan 8.370 nan 0.000 0.446 4 L N 0.790 121.919 121.223 -0.156 0.000 2.013 4 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 4 L C 2.409 179.179 176.870 -0.166 0.000 1.073 4 L CA 1.621 56.373 54.840 -0.147 0.000 0.753 4 L CB -1.348 40.709 42.059 -0.003 0.000 0.890 4 L HN 0.244 nan 8.230 nan 0.000 0.432 5 Q N -0.452 119.272 119.800 -0.127 0.000 2.096 5 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 5 Q C 2.220 178.090 176.000 -0.216 0.000 0.982 5 Q CA 1.761 57.485 55.803 -0.132 0.000 0.850 5 Q CB -0.080 28.605 28.738 -0.088 0.000 0.901 5 Q HN 0.504 nan 8.270 nan 0.000 0.422 6 K N 0.498 120.744 120.400 -0.256 0.000 2.026 6 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 6 K C 2.067 178.188 176.600 -0.799 0.000 1.048 6 K CA 1.073 57.122 56.287 -0.398 0.000 0.929 6 K CB -0.151 32.194 32.500 -0.259 0.000 0.713 6 K HN 0.124 nan 8.250 nan 0.000 0.439 7 L N 0.976 121.828 121.223 -0.620 0.000 2.131 7 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 7 L C 2.595 179.199 176.870 -0.444 0.000 1.092 7 L CA 0.931 55.414 54.840 -0.596 0.000 0.759 7 L CB -0.354 41.506 42.059 -0.332 0.000 0.903 7 L HN 0.210 nan 8.230 nan 0.000 0.435 8 Q N 0.786 120.395 119.800 -0.320 0.000 2.364 8 Q HA -0.167 4.173 4.340 -0.000 0.000 0.209 8 Q C 1.927 177.821 176.000 -0.175 0.000 0.977 8 Q CA 1.387 57.082 55.803 -0.181 0.000 0.885 8 Q CB -0.040 28.625 28.738 -0.121 0.000 0.941 8 Q HN 0.366 nan 8.270 nan 0.000 0.464 9 R N -1.180 119.125 120.500 -0.325 0.000 2.297 9 R HA 0.177 4.517 4.340 -0.000 0.000 0.197 9 R C -0.252 176.089 176.300 0.068 0.000 0.943 9 R CA -0.068 55.931 56.100 -0.168 0.000 1.038 9 R CB 0.326 30.504 30.300 -0.204 0.000 0.957 9 R HN 0.172 nan 8.270 nan 0.000 0.484 10 F N 0.597 120.542 119.950 -0.009 0.000 2.425 10 F HA 0.240 4.767 4.527 -0.000 0.000 0.331 10 F C 1.128 176.931 175.800 0.007 0.000 1.085 10 F CA -1.420 56.579 58.000 -0.002 0.000 1.028 10 F CB 1.440 40.439 39.000 -0.002 0.000 1.177 10 F HN -0.062 nan 8.300 nan 0.000 0.487 11 S N -0.655 115.168 115.700 0.205 0.000 2.645 11 S HA 0.080 4.550 4.470 -0.000 0.000 0.266 11 S C 1.123 175.793 174.600 0.117 0.000 1.258 11 S CA -0.069 58.205 58.200 0.123 0.000 0.990 11 S CB 1.338 64.584 63.200 0.078 0.000 0.967 11 S HN 0.805 nan 8.310 nan 0.000 0.556 12 T N -1.445 113.165 114.554 0.093 0.000 2.833 12 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 12 T C 1.875 176.613 174.700 0.064 0.000 1.054 12 T CA 1.387 63.543 62.100 0.093 0.000 1.135 12 T CB -1.427 67.505 68.868 0.106 0.000 0.869 12 T HN 0.675 nan 8.240 nan 0.000 0.466 13 C N 2.053 121.372 119.300 0.033 0.000 2.429 13 C HA -0.042 4.418 4.460 -0.000 0.000 0.277 13 C C 2.688 177.677 174.990 -0.002 0.000 1.262 13 C CA 0.533 59.549 59.018 -0.003 0.000 1.733 13 C CB -1.033 26.699 27.740 -0.014 0.000 2.010 13 C HN 0.568 nan 8.230 nan 0.000 0.483 14 D N 1.117 121.513 120.400 -0.007 0.000 2.097 14 D HA -0.091 4.549 4.640 -0.000 0.000 0.195 14 D C 1.919 178.185 176.300 -0.057 0.000 0.989 14 D CA 1.224 55.180 54.000 -0.073 0.000 0.827 14 D CB -0.433 40.272 40.800 -0.159 0.000 0.966 14 D HN 0.476 nan 8.370 nan 0.000 0.456 15 I N 0.932 121.515 120.570 0.022 0.000 2.226 15 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 15 I C 2.346 178.508 176.117 0.076 0.000 1.100 15 I CA 0.816 62.161 61.300 0.076 0.000 1.374 15 I CB -0.168 37.916 38.000 0.141 0.000 1.057 15 I HN -0.125 nan 8.210 nan 0.000 0.413 16 S N 0.291 116.029 115.700 0.064 0.000 2.399 16 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 16 S C 1.535 176.160 174.600 0.041 0.000 1.022 16 S CA 1.205 59.438 58.200 0.055 0.000 0.983 16 S CB -0.294 62.921 63.200 0.025 0.000 0.803 16 S HN 0.427 nan 8.310 nan 0.000 0.480 17 D N 1.227 121.651 120.400 0.041 0.000 2.144 17 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 17 D C 2.141 178.500 176.300 0.098 0.000 0.978 17 D CA 1.122 55.163 54.000 0.069 0.000 0.833 17 D CB -0.721 40.127 40.800 0.079 0.000 0.961 17 D HN 0.452 nan 8.370 nan 0.000 0.470 18 G N 0.602 109.467 108.800 0.109 0.000 2.404 18 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 18 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 18 G C 1.776 176.681 174.900 0.008 0.000 1.174 18 G CA 0.228 45.371 45.100 0.071 0.000 0.780 18 G HN 0.242 nan 8.290 nan 0.000 0.537 19 L N -0.330 120.943 121.223 0.084 0.000 2.056 19 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 19 L C 2.682 179.598 176.870 0.076 0.000 1.078 19 L CA 0.469 55.386 54.840 0.129 0.000 0.749 19 L CB -0.433 41.691 42.059 0.109 0.000 0.901 19 L HN 0.230 nan 8.230 nan 0.000 0.433 20 L N 0.037 121.274 121.223 0.023 0.000 1.994 20 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 20 L C 2.205 179.038 176.870 -0.063 0.000 1.071 20 L CA 1.907 56.744 54.840 -0.006 0.000 0.745 20 L CB -0.678 41.378 42.059 -0.004 0.000 0.892 20 L HN 0.251 nan 8.230 nan 0.000 0.431 21 N N -1.084 117.531 118.700 -0.143 0.000 2.336 21 N HA -0.022 4.718 4.740 -0.000 0.000 0.177 21 N C 1.750 177.022 175.510 -0.396 0.000 1.018 21 N CA 1.438 54.338 53.050 -0.250 0.000 0.878 21 N CB 0.081 38.410 38.487 -0.263 0.000 0.997 21 N HN 0.284 nan 8.380 nan 0.000 0.433 22 V N -0.159 119.451 119.914 -0.507 0.000 2.407 22 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 22 V C 1.029 176.763 176.094 -0.600 0.000 1.041 22 V CA 1.294 63.236 62.300 -0.597 0.000 1.040 22 V CB -0.443 30.996 31.823 -0.641 0.000 0.671 22 V HN 0.229 nan 8.190 nan 0.000 0.455 23 Y N -0.614 119.611 120.300 -0.124 0.000 2.531 23 Y HA 0.326 4.876 4.550 0.000 0.000 0.249 23 Y C 1.222 177.090 175.900 -0.054 0.000 1.168 23 Y CA -0.143 57.916 58.100 -0.067 0.000 1.226 23 Y CB 0.025 38.461 38.460 -0.040 0.000 1.177 23 Y HN 0.344 nan 8.280 nan 0.000 0.527 24 N N 1.282 119.993 118.700 0.018 0.000 2.721 24 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 24 N C -0.961 174.569 175.510 0.033 0.000 1.072 24 N CA 0.428 53.482 53.050 0.007 0.000 0.710 24 N CB -1.385 37.099 38.487 -0.004 0.000 0.993 24 N HN 0.415 nan 8.380 nan 0.000 0.547 25 I N 0.890 121.491 120.570 0.052 0.000 2.291 25 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 25 I C -0.936 175.193 176.117 0.019 0.000 1.064 25 I CA -1.885 59.438 61.300 0.040 0.000 1.269 25 I CB 1.151 39.184 38.000 0.054 0.000 1.418 25 I HN 0.028 nan 8.210 nan 0.000 0.485 26 P HA -0.129 nan 4.420 nan 0.000 0.221 26 P C 1.210 178.508 177.300 -0.002 0.000 1.150 26 P CA 1.274 64.373 63.100 -0.002 0.000 0.800 26 P CB -0.046 31.650 31.700 -0.007 0.000 0.787 27 T N -5.460 109.093 114.554 -0.001 0.000 3.107 27 T HA 0.338 4.688 4.350 -0.000 0.000 0.249 27 T C 1.490 176.213 174.700 0.038 0.000 1.096 27 T CA 0.482 62.587 62.100 0.009 0.000 1.012 27 T CB -0.973 67.886 68.868 -0.015 0.000 0.977 27 T HN 0.217 nan 8.240 nan 0.000 0.527 28 G N 1.154 109.977 108.800 0.038 0.000 2.179 28 G HA2 0.058 4.018 3.960 -0.000 0.000 0.257 28 G HA3 0.058 4.018 3.960 -0.000 0.000 0.257 28 G C 1.066 176.030 174.900 0.107 0.000 1.010 28 G CA 0.311 45.447 45.100 0.059 0.000 0.736 28 G HN 1.767 nan 8.290 nan 0.000 0.513 29 G N -1.788 107.071 108.800 0.098 0.000 2.168 29 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 29 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 29 G C 0.305 175.353 174.900 0.247 0.000 0.997 29 G CA 0.891 46.082 45.100 0.152 0.000 0.708 29 G HN 1.828 nan 8.290 nan 0.000 0.520 30 Y N -0.479 119.826 120.300 0.008 0.000 2.319 30 Y HA 0.550 5.100 4.550 -0.000 0.000 0.328 30 Y C -0.114 175.718 175.900 -0.113 0.000 1.133 30 Y CA -0.871 57.251 58.100 0.036 0.000 1.265 30 Y CB 0.437 38.895 38.460 -0.005 0.000 1.218 30 Y HN 0.015 nan 8.280 nan 0.000 0.508 31 F N 7.749 127.396 119.950 -0.505 0.000 2.347 31 F HA 0.371 4.898 4.527 -0.000 0.000 0.366 31 F C -2.130 173.211 175.800 -0.766 0.000 1.107 31 F CA -2.579 55.185 58.000 -0.393 0.000 1.058 31 F CB 0.925 39.897 39.000 -0.048 0.000 1.236 31 F HN 0.362 nan 8.300 nan 0.000 0.456 32 P HA 0.250 nan 4.420 nan 0.000 0.279 32 P C -0.720 176.474 177.300 -0.178 0.000 1.252 32 P CA -0.262 62.566 63.100 -0.454 0.000 0.811 32 P CB 1.130 32.772 31.700 -0.097 0.000 1.035 33 N N -2.160 116.506 118.700 -0.057 0.000 2.901 33 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 33 N C -0.530 175.080 175.510 0.167 0.000 1.044 33 N CA 0.016 53.072 53.050 0.012 0.000 0.847 33 N CB -1.925 36.287 38.487 -0.459 0.000 1.127 33 N HN 0.339 nan 8.380 nan 0.000 0.562 34 L N 0.798 122.066 121.223 0.075 0.000 2.350 34 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 34 L C 0.576 177.541 176.870 0.159 0.000 1.099 34 L CA -0.019 54.848 54.840 0.045 0.000 0.808 34 L CB 1.278 43.243 42.059 -0.157 0.000 1.149 34 L HN -0.001 nan 8.230 nan 0.000 0.442 35 T N 1.613 116.240 114.554 0.122 0.000 2.823 35 T HA 0.458 4.808 4.350 -0.000 0.000 0.279 35 T C 0.066 174.686 174.700 -0.133 0.000 0.998 35 T CA -0.559 61.577 62.100 0.060 0.000 0.994 35 T CB 1.675 70.578 68.868 0.058 0.000 0.960 35 T HN 0.639 nan 8.240 nan 0.000 0.448 36 A N 4.269 126.879 122.820 -0.350 0.000 2.797 36 A HA 0.284 4.604 4.320 -0.000 0.000 0.296 36 A C 1.465 178.802 177.584 -0.411 0.000 1.580 36 A CA -0.377 51.155 52.037 -0.841 0.000 1.277 36 A CB -0.828 17.623 19.000 -0.915 0.000 1.101 36 A HN 0.774 nan 8.150 nan 0.000 0.562 37 I N 1.018 121.400 120.570 -0.313 0.000 2.252 37 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 37 I C 1.451 177.488 176.117 -0.134 0.000 1.102 37 I CA 1.401 62.606 61.300 -0.158 0.000 1.385 37 I CB -0.936 37.000 38.000 -0.107 0.000 1.064 37 I HN 0.489 nan 8.210 nan 0.000 0.414 38 S N 2.332 117.919 115.700 -0.188 0.000 2.577 38 S HA 0.440 4.910 4.470 -0.000 0.000 0.294 38 S C -2.494 171.986 174.600 -0.200 0.000 1.161 38 S CA -1.476 56.659 58.200 -0.107 0.000 1.143 38 S CB 0.767 63.970 63.200 0.005 0.000 0.991 38 S HN -0.139 nan 8.310 nan 0.000 0.475 39 P HA 0.271 nan 4.420 nan 0.000 0.272 39 P C -2.573 174.670 177.300 -0.095 0.000 1.223 39 P CA -1.264 61.722 63.100 -0.190 0.000 0.784 39 P CB -0.160 31.472 31.700 -0.113 0.000 0.923 40 P HA 0.062 nan 4.420 nan 0.000 0.268 40 P C 0.623 177.927 177.300 0.008 0.000 1.205 40 P CA 0.213 63.317 63.100 0.006 0.000 0.771 40 P CB 0.709 32.446 31.700 0.062 0.000 0.858 41 Q N 0.814 120.622 119.800 0.013 0.000 2.050 41 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 41 Q C 0.765 176.776 176.000 0.018 0.000 0.980 41 Q CA 1.223 57.035 55.803 0.016 0.000 0.840 41 Q CB -0.008 28.742 28.738 0.020 0.000 0.898 41 Q HN 0.555 nan 8.270 nan 0.000 0.424 42 N N -0.797 117.916 118.700 0.022 0.000 2.443 42 N HA 0.017 4.757 4.740 -0.000 0.000 0.294 42 N C 1.163 176.692 175.510 0.033 0.000 1.289 42 N CA 0.603 53.667 53.050 0.023 0.000 0.966 42 N CB 0.100 38.598 38.487 0.019 0.000 1.122 42 N HN 0.039 nan 8.380 nan 0.000 0.569 43 S N -0.766 114.954 115.700 0.034 0.000 2.345 43 S HA -0.041 4.429 4.470 -0.000 0.000 0.220 43 S C 0.964 175.604 174.600 0.065 0.000 1.031 43 S CA 0.870 59.097 58.200 0.046 0.000 0.996 43 S CB -0.394 62.831 63.200 0.041 0.000 0.882 43 S HN 0.689 nan 8.310 nan 0.000 0.445 44 S N 1.239 116.974 115.700 0.058 0.000 2.661 44 S HA 0.755 5.225 4.470 -0.000 0.000 0.285 44 S C -0.681 173.953 174.600 0.056 0.000 1.138 44 S CA -1.008 57.235 58.200 0.072 0.000 0.855 44 S CB 1.711 64.944 63.200 0.055 0.000 1.136 44 S HN 0.745 nan 8.310 nan 0.000 0.484 45 I N 0.224 120.828 120.570 0.056 0.000 2.603 45 I HA 0.874 5.044 4.170 -0.000 0.000 0.300 45 I C -0.553 175.561 176.117 -0.005 0.000 1.017 45 I CA -1.286 60.030 61.300 0.027 0.000 1.098 45 I CB 0.775 38.799 38.000 0.041 0.000 1.279 45 I HN 0.895 nan 8.210 nan 0.000 0.437 46 V N 1.706 121.621 119.914 0.000 0.000 2.888 46 V HA 1.088 5.208 4.120 -0.000 0.000 0.309 46 V C -0.296 175.825 176.094 0.044 0.000 1.114 46 V CA 0.007 62.313 62.300 0.010 0.000 0.940 46 V CB 1.152 32.966 31.823 -0.015 0.000 1.021 46 V HN 1.496 nan 8.190 nan 0.000 0.426 47 G N 1.358 110.213 108.800 0.092 0.000 2.451 47 G HA2 0.634 4.594 3.960 -0.000 0.000 0.292 47 G HA3 0.634 4.594 3.960 -0.000 0.000 0.292 47 G C -0.649 174.326 174.900 0.126 0.000 1.427 47 G CA -0.003 45.166 45.100 0.115 0.000 0.792 47 G HN 1.510 nan 8.290 nan 0.000 0.498 48 T N -0.963 113.629 114.554 0.063 0.000 2.856 48 T HA 0.648 4.998 4.350 -0.000 0.000 0.292 48 T C 0.662 175.351 174.700 -0.018 0.000 0.980 48 T CA 0.362 62.426 62.100 -0.061 0.000 1.091 48 T CB 1.541 70.338 68.868 -0.119 0.000 0.936 48 T HN 1.725 nan 8.240 nan 0.000 0.503 49 A N 3.327 126.116 122.820 -0.052 0.000 2.492 49 A HA 0.337 4.657 4.320 -0.000 0.000 0.254 49 A C -0.444 177.181 177.584 0.068 0.000 1.091 49 A CA -0.517 51.512 52.037 -0.014 0.000 0.768 49 A CB -0.533 18.423 19.000 -0.073 0.000 1.028 49 A HN 0.997 nan 8.150 nan 0.000 0.498 50 Y N 3.636 123.919 120.300 -0.029 0.000 2.402 50 Y HA 0.454 5.004 4.550 -0.000 0.000 0.332 50 Y C 0.585 176.483 175.900 -0.004 0.000 0.960 50 Y CA -0.429 57.669 58.100 -0.003 0.000 1.228 50 Y CB 0.962 39.444 38.460 0.036 0.000 1.120 50 Y HN 0.760 nan 8.280 nan 0.000 0.491 51 T N 2.768 117.140 114.554 -0.303 0.000 2.907 51 T HA 0.720 5.070 4.350 -0.000 0.000 0.284 51 T C -0.791 173.662 174.700 -0.412 0.000 1.004 51 T CA -0.673 61.253 62.100 -0.290 0.000 1.063 51 T CB 1.707 70.469 68.868 -0.176 0.000 0.992 51 T HN 0.362 nan 8.240 nan 0.000 0.483 52 V N 3.213 122.943 119.914 -0.306 0.000 2.668 52 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 52 V C -0.912 175.103 176.094 -0.133 0.000 1.071 52 V CA -0.961 61.157 62.300 -0.303 0.000 0.894 52 V CB 1.662 33.202 31.823 -0.471 0.000 1.008 52 V HN 0.955 nan 8.190 nan 0.000 0.425 53 L N 5.128 126.276 121.223 -0.126 0.000 2.296 53 L HA 0.697 5.037 4.340 -0.000 0.000 0.286 53 L C -1.053 175.797 176.870 -0.033 0.000 1.023 53 L CA 0.133 54.955 54.840 -0.029 0.000 0.812 53 L CB 0.964 42.991 42.059 -0.054 0.000 1.223 53 L HN 0.479 nan 8.230 nan 0.000 0.421 54 F N 4.098 123.995 119.950 -0.087 0.000 2.421 54 F HA 0.781 5.308 4.527 -0.000 0.000 0.337 54 F C 0.558 176.342 175.800 -0.027 0.000 1.105 54 F CA -0.251 57.718 58.000 -0.051 0.000 1.049 54 F CB 1.849 40.823 39.000 -0.044 0.000 1.139 54 F HN 0.675 nan 8.300 nan 0.000 0.479 55 A N 3.973 126.869 122.820 0.126 0.000 2.479 55 A HA 0.820 5.140 4.320 -0.000 0.000 0.296 55 A C -2.857 174.795 177.584 0.112 0.000 1.121 55 A CA -2.227 49.871 52.037 0.102 0.000 0.743 55 A CB 1.307 20.348 19.000 0.067 0.000 1.323 55 A HN 0.408 nan 8.150 nan 0.000 0.415 56 P HA 0.054 nan 4.420 nan 0.000 0.266 56 P C 0.952 178.302 177.300 0.084 0.000 1.193 56 P CA 0.185 63.352 63.100 0.111 0.000 0.770 56 P CB 0.187 31.973 31.700 0.143 0.000 0.836 57 I N 0.316 120.931 120.570 0.076 0.000 2.614 57 I HA -0.159 4.010 4.170 -0.000 0.000 0.258 57 I C 1.143 177.287 176.117 0.044 0.000 1.189 57 I CA 1.316 62.651 61.300 0.058 0.000 1.462 57 I CB -0.784 37.250 38.000 0.057 0.000 1.092 57 I HN 0.242 nan 8.210 nan 0.000 0.442 58 D N 0.534 120.963 120.400 0.048 0.000 2.363 58 D HA -0.134 4.506 4.640 -0.000 0.000 0.220 58 D C 0.605 176.924 176.300 0.031 0.000 0.994 58 D CA 0.222 54.243 54.000 0.036 0.000 0.890 58 D CB -0.545 40.277 40.800 0.037 0.000 0.906 58 D HN 0.490 nan 8.370 nan 0.000 0.530 59 D N 1.909 122.332 120.400 0.038 0.000 2.472 59 D HA -0.023 4.617 4.640 -0.000 0.000 0.237 59 D C -1.450 174.860 176.300 0.017 0.000 1.141 59 D CA -1.272 52.747 54.000 0.031 0.000 0.875 59 D CB 2.008 42.832 40.800 0.040 0.000 1.192 59 D HN -0.078 nan 8.370 nan 0.000 0.450 60 P HA -0.015 nan 4.420 nan 0.000 0.223 60 P C 0.024 177.325 177.300 0.002 0.000 1.151 60 P CA 0.652 63.755 63.100 0.006 0.000 0.787 60 P CB 0.255 31.957 31.700 0.003 0.000 0.788 61 R N 1.165 121.665 120.500 0.001 0.000 2.590 61 R HA 0.178 4.518 4.340 -0.000 0.000 0.274 61 R C -2.021 174.274 176.300 -0.009 0.000 1.061 61 R CA -1.469 54.628 56.100 -0.006 0.000 1.081 61 R CB -0.543 29.750 30.300 -0.011 0.000 0.984 61 R HN 0.142 nan 8.270 nan 0.000 0.448 62 P HA 0.060 nan 4.420 nan 0.000 0.274 62 P C -0.806 176.481 177.300 -0.022 0.000 1.231 62 P CA -0.345 62.749 63.100 -0.011 0.000 0.790 62 P CB 0.817 32.513 31.700 -0.008 0.000 0.951 63 A N 2.400 125.208 122.820 -0.021 0.000 2.531 63 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 63 A C 0.516 178.085 177.584 -0.025 0.000 1.062 63 A CA -0.001 52.016 52.037 -0.033 0.000 0.760 63 A CB -0.480 18.510 19.000 -0.017 0.000 0.995 63 A HN 0.491 nan 8.150 nan 0.000 0.501 64 V N 0.625 120.520 119.914 -0.032 0.000 2.864 64 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 64 V C -0.118 175.998 176.094 0.035 0.000 1.073 64 V CA -1.201 61.100 62.300 0.001 0.000 0.956 64 V CB 1.971 33.795 31.823 0.002 0.000 1.023 64 V HN 0.838 nan 8.190 nan 0.000 0.435 65 N N 2.183 120.903 118.700 0.033 0.000 2.469 65 N HA 0.254 4.994 4.740 -0.000 0.000 0.239 65 N C 0.164 175.712 175.510 0.064 0.000 1.053 65 N CA -0.318 52.736 53.050 0.007 0.000 0.937 65 N CB 0.491 38.966 38.487 -0.021 0.000 1.163 65 N HN 0.929 nan 8.380 nan 0.000 0.509 66 Y N 3.057 123.392 120.300 0.059 0.000 2.397 66 Y HA 0.221 4.771 4.550 -0.000 0.000 0.292 66 Y C 1.670 177.722 175.900 0.253 0.000 1.115 66 Y CA 0.077 58.266 58.100 0.148 0.000 1.208 66 Y CB -0.268 38.228 38.460 0.061 0.000 1.046 66 Y HN 0.356 nan 8.280 nan 0.000 0.552 67 I N 1.613 121.857 120.570 -0.543 0.000 2.439 67 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 67 I C 1.231 177.310 176.117 -0.064 0.000 1.139 67 I CA 1.355 62.473 61.300 -0.303 0.000 1.438 67 I CB -0.463 37.246 38.000 -0.485 0.000 1.085 67 I HN 0.191 nan 8.210 nan 0.000 0.427 68 D N -0.405 119.948 120.400 -0.078 0.000 2.363 68 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 68 D C 1.403 177.690 176.300 -0.021 0.000 0.994 68 D CA 0.603 54.574 54.000 -0.048 0.000 0.890 68 D CB 0.210 40.974 40.800 -0.059 0.000 0.906 68 D HN 0.235 nan 8.370 nan 0.000 0.530 69 S N -0.139 115.560 115.700 -0.002 0.000 2.664 69 S HA 0.129 4.599 4.470 -0.000 0.000 0.245 69 S C 0.368 174.791 174.600 -0.294 0.000 1.019 69 S CA -0.387 57.773 58.200 -0.067 0.000 0.996 69 S CB 1.232 64.440 63.200 0.012 0.000 0.878 69 S HN -0.068 nan 8.310 nan 0.000 0.493 70 V N 4.694 124.478 119.914 -0.217 0.000 2.493 70 V HA 0.120 4.240 4.120 -0.000 0.000 0.292 70 V C -2.212 173.706 176.094 -0.295 0.000 1.016 70 V CA -1.206 60.880 62.300 -0.358 0.000 1.097 70 V CB 0.013 31.856 31.823 0.034 0.000 0.947 70 V HN 0.204 nan 8.190 nan 0.000 0.479 71 P HA 0.255 nan 4.420 nan 0.000 0.274 71 P C -2.568 174.690 177.300 -0.071 0.000 1.231 71 P CA -1.650 61.339 63.100 -0.185 0.000 0.790 71 P CB 0.011 31.603 31.700 -0.179 0.000 0.951 72 P HA -0.027 nan 4.420 nan 0.000 0.268 72 P C -0.306 176.998 177.300 0.007 0.000 1.205 72 P CA 0.368 63.463 63.100 -0.008 0.000 0.771 72 P CB -0.073 31.618 31.700 -0.015 0.000 0.858 73 N N -1.780 116.937 118.700 0.028 0.000 2.778 73 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 73 N C -0.024 175.516 175.510 0.050 0.000 1.069 73 N CA 0.903 53.977 53.050 0.040 0.000 0.831 73 N CB -1.843 36.664 38.487 0.033 0.000 1.142 73 N HN 0.645 nan 8.380 nan 0.000 0.573 74 S N -0.023 115.707 115.700 0.050 0.000 2.603 74 S HA 0.555 5.025 4.470 -0.000 0.000 0.268 74 S C 0.244 174.893 174.600 0.082 0.000 1.317 74 S CA -0.705 57.534 58.200 0.066 0.000 1.012 74 S CB 1.447 64.691 63.200 0.073 0.000 0.926 74 S HN 0.154 nan 8.310 nan 0.000 0.539 75 I N 2.293 122.906 120.570 0.071 0.000 2.321 75 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 75 I C -0.266 175.907 176.117 0.092 0.000 0.998 75 I CA -0.782 60.549 61.300 0.053 0.000 1.227 75 I CB 1.079 39.072 38.000 -0.013 0.000 1.368 75 I HN 0.683 nan 8.210 nan 0.000 0.466 76 L N 9.039 130.340 121.223 0.130 0.000 2.313 76 L HA 0.363 4.703 4.340 -0.000 0.000 0.282 76 L C -0.527 176.345 176.870 0.003 0.000 1.092 76 L CA 0.272 55.216 54.840 0.174 0.000 0.831 76 L CB 0.884 43.110 42.059 0.278 0.000 1.159 76 L HN 0.305 nan 8.230 nan 0.000 0.442 77 V N 6.751 126.638 119.914 -0.045 0.000 2.443 77 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 77 V C -0.444 175.589 176.094 -0.101 0.000 1.021 77 V CA -0.561 61.686 62.300 -0.088 0.000 0.848 77 V CB 1.416 33.198 31.823 -0.068 0.000 0.998 77 V HN 0.542 nan 8.190 nan 0.000 0.424 78 L N 4.269 125.431 121.223 -0.101 0.000 2.329 78 L HA 0.966 5.306 4.340 -0.000 0.000 0.279 78 L C 0.224 177.099 176.870 0.008 0.000 1.014 78 L CA -0.021 54.765 54.840 -0.089 0.000 0.814 78 L CB 1.753 43.693 42.059 -0.198 0.000 1.257 78 L HN 0.848 nan 8.230 nan 0.000 0.424 79 A N 3.158 125.994 122.820 0.028 0.000 2.587 79 A HA 0.845 5.165 4.320 -0.000 0.000 0.293 79 A C -1.355 176.258 177.584 0.048 0.000 1.087 79 A CA -0.566 51.489 52.037 0.030 0.000 0.692 79 A CB 1.122 20.077 19.000 -0.076 0.000 1.291 79 A HN 0.544 nan 8.150 nan 0.000 0.407 80 L N 0.928 122.168 121.223 0.027 0.000 2.399 80 L HA 0.377 4.717 4.340 -0.000 0.000 0.265 80 L C 0.444 177.315 176.870 0.003 0.000 1.089 80 L CA -0.909 53.949 54.840 0.030 0.000 0.802 80 L CB 0.789 42.844 42.059 -0.008 0.000 1.180 80 L HN 0.661 nan 8.230 nan 0.000 0.454 81 E N 1.930 122.130 120.200 -0.000 0.000 2.608 81 E HA -0.088 4.262 4.350 -0.000 0.000 0.259 81 E C -1.684 174.890 176.600 -0.044 0.000 0.951 81 E CA -0.893 55.507 56.400 0.000 0.000 0.945 81 E CB 0.573 30.298 29.700 0.041 0.000 0.916 81 E HN 0.314 nan 8.360 nan 0.000 0.477 82 P HA -0.184 nan 4.420 nan 0.000 0.218 82 P C 1.155 178.476 177.300 0.035 0.000 1.146 82 P CA 1.284 64.392 63.100 0.013 0.000 0.813 82 P CB -0.063 31.651 31.700 0.023 0.000 0.778 83 H N -0.734 118.343 119.070 0.012 0.000 2.518 83 H HA -0.011 4.545 4.556 -0.000 0.000 0.289 83 H C 1.139 176.480 175.328 0.021 0.000 1.051 83 H CA 0.830 56.887 56.048 0.014 0.000 1.280 83 H CB -0.911 28.859 29.762 0.013 0.000 1.380 83 H HN 0.214 nan 8.280 nan 0.000 0.566 84 L N 0.998 122.020 121.223 -0.336 0.000 2.700 84 L HA 0.210 4.550 4.340 -0.000 0.000 0.234 84 L C 0.215 177.040 176.870 -0.075 0.000 1.156 84 L CA -0.070 54.630 54.840 -0.233 0.000 0.946 84 L CB 0.247 42.121 42.059 -0.308 0.000 1.216 84 L HN 0.162 nan 8.230 nan 0.000 0.493 85 Q N -0.451 119.330 119.800 -0.032 0.000 2.241 85 Q HA 0.544 4.884 4.340 -0.000 0.000 0.262 85 Q C -0.507 175.499 176.000 0.009 0.000 1.014 85 Q CA -0.327 55.485 55.803 0.016 0.000 0.885 85 Q CB 2.713 31.473 28.738 0.038 0.000 1.311 85 Q HN 0.031 nan 8.270 nan 0.000 0.461 86 S N -0.366 115.341 115.700 0.012 0.000 2.569 86 S HA 0.165 4.635 4.470 -0.000 0.000 0.280 86 S C -0.151 174.442 174.600 -0.012 0.000 1.111 86 S CA -0.483 57.710 58.200 -0.012 0.000 0.887 86 S CB 1.601 64.792 63.200 -0.015 0.000 1.095 86 S HN 0.681 nan 8.310 nan 0.000 0.476 87 Q N 1.111 120.809 119.800 -0.171 0.000 2.472 87 Q HA 0.140 4.479 4.340 -0.000 0.000 0.208 87 Q C -0.816 174.971 176.000 -0.354 0.000 0.958 87 Q CA 0.863 56.483 55.803 -0.304 0.000 0.932 87 Q CB 0.059 28.462 28.738 -0.558 0.000 1.007 87 Q HN 0.596 nan 8.270 nan 0.000 0.508 88 F N -0.851 119.121 119.950 0.037 0.000 2.538 88 F HA 0.247 4.774 4.527 -0.000 0.000 0.325 88 F C 0.441 175.803 175.800 -0.729 0.000 1.066 88 F CA -1.609 56.309 58.000 -0.137 0.000 0.946 88 F CB 0.751 39.691 39.000 -0.100 0.000 1.199 88 F HN -0.022 nan 8.300 nan 0.000 0.473 89 H N 4.593 123.044 119.070 -1.031 0.000 3.001 89 H HA 0.070 4.626 4.556 -0.000 0.000 0.334 89 H C -1.710 173.250 175.328 -0.613 0.000 1.034 89 H CA -0.903 54.257 56.048 -1.481 0.000 1.420 89 H CB 1.345 30.665 29.762 -0.736 0.000 1.405 89 H HN 0.357 nan 8.280 nan 0.000 0.593 90 P HA 0.049 nan 4.420 nan 0.000 0.253 90 P C -0.055 176.748 177.300 -0.828 0.000 1.260 90 P CA 0.101 62.533 63.100 -1.114 0.000 0.800 90 P CB 0.012 31.390 31.700 -0.536 0.000 1.162 91 F N -1.770 117.933 119.950 -0.411 0.000 2.517 91 F HA -0.232 4.295 4.527 0.000 0.000 0.434 91 F C 0.916 176.530 175.800 -0.309 0.000 0.564 91 F CA 0.469 58.160 58.000 -0.516 0.000 1.414 91 F CB -1.450 36.826 39.000 -1.206 0.000 2.009 91 F HN 0.053 nan 8.300 nan 0.000 0.274 92 I N -2.422 118.093 120.570 -0.091 0.000 2.969 92 I HA 0.541 4.711 4.170 -0.000 0.000 0.307 92 I C 0.363 176.458 176.117 -0.036 0.000 1.149 92 I CA -1.066 60.231 61.300 -0.005 0.000 1.008 92 I CB 2.042 40.086 38.000 0.075 0.000 1.232 92 I HN -0.198 nan 8.210 nan 0.000 0.435 93 K N 3.400 123.787 120.400 -0.023 0.000 2.358 93 K HA 0.396 4.716 4.320 -0.000 0.000 0.197 93 K C 0.395 176.989 176.600 -0.010 0.000 1.025 93 K CA 0.217 56.493 56.287 -0.018 0.000 1.104 93 K CB 0.036 32.529 32.500 -0.010 0.000 0.855 93 K HN 0.784 nan 8.250 nan 0.000 0.531 94 I N -2.011 118.553 120.570 -0.010 0.000 2.525 94 I HA 0.289 4.459 4.170 -0.000 0.000 0.301 94 I C 1.093 177.210 176.117 0.001 0.000 0.992 94 I CA -0.601 60.699 61.300 -0.001 0.000 1.162 94 I CB 1.951 39.952 38.000 0.001 0.000 1.332 94 I HN -0.140 nan 8.210 nan 0.000 0.458 95 T N 0.276 114.835 114.554 0.008 0.000 3.057 95 T HA 0.181 4.531 4.350 -0.000 0.000 0.254 95 T C 0.745 175.456 174.700 0.018 0.000 1.094 95 T CA 0.066 62.172 62.100 0.011 0.000 1.088 95 T CB -0.162 68.714 68.868 0.014 0.000 0.934 95 T HN 0.723 nan 8.240 nan 0.000 0.497 96 Q N 1.629 121.441 119.800 0.019 0.000 2.373 96 Q HA 0.653 4.993 4.340 -0.000 0.000 0.255 96 Q C 0.079 176.090 176.000 0.018 0.000 0.980 96 Q CA -0.001 55.816 55.803 0.025 0.000 0.882 96 Q CB 0.753 29.510 28.738 0.032 0.000 1.249 96 Q HN 0.557 nan 8.270 nan 0.000 0.438 97 A N 2.463 125.301 122.820 0.030 0.000 2.332 97 A HA 0.390 4.710 4.320 -0.000 0.000 0.258 97 A C 0.347 177.938 177.584 0.011 0.000 1.087 97 A CA -0.390 51.666 52.037 0.031 0.000 0.802 97 A CB 0.141 19.181 19.000 0.066 0.000 1.042 97 A HN 0.965 nan 8.150 nan 0.000 0.489 98 M N -0.263 119.317 119.600 -0.032 0.000 2.306 98 M HA 0.435 4.915 4.480 -0.000 0.000 0.292 98 M C -0.587 175.753 176.300 0.067 0.000 1.018 98 M CA 0.233 55.444 55.300 -0.147 0.000 1.007 98 M CB 0.258 32.503 32.600 -0.592 0.000 1.510 98 M HN 0.638 nan 8.290 nan 0.000 0.537 99 Y N 0.275 120.583 120.300 0.013 0.000 2.357 99 Y HA 0.597 5.147 4.550 -0.000 0.000 0.319 99 Y C -1.099 174.893 175.900 0.154 0.000 1.225 99 Y CA -0.748 57.422 58.100 0.118 0.000 1.095 99 Y CB 1.142 39.646 38.460 0.073 0.000 1.302 99 Y HN 0.170 nan 8.280 nan 0.000 0.429 100 G N 1.484 110.209 108.800 -0.126 0.000 3.251 100 G HA2 0.446 4.405 3.960 -0.000 0.000 0.248 100 G HA3 0.446 4.405 3.960 -0.000 0.000 0.248 100 G C 0.567 175.362 174.900 -0.174 0.000 1.320 100 G CA -0.485 44.595 45.100 -0.034 0.000 0.982 100 G HN 1.085 nan 8.290 nan 0.000 0.575 101 G N -0.652 108.012 108.800 -0.226 0.000 2.421 101 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 101 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 101 G C 1.646 176.407 174.900 -0.232 0.000 1.143 101 G CA 0.589 45.460 45.100 -0.381 0.000 0.784 101 G HN 0.344 nan 8.290 nan 0.000 0.541 102 L N 0.181 121.297 121.223 -0.180 0.000 2.141 102 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 102 L C 2.997 179.769 176.870 -0.163 0.000 1.094 102 L CA 0.518 55.272 54.840 -0.143 0.000 0.763 102 L CB -0.318 41.675 42.059 -0.111 0.000 0.908 102 L HN 0.141 nan 8.230 nan 0.000 0.437 103 M N -0.861 118.592 119.600 -0.245 0.000 2.132 103 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 103 M C 2.511 178.716 176.300 -0.158 0.000 1.065 103 M CA 1.471 56.612 55.300 -0.265 0.000 1.122 103 M CB -1.210 31.096 32.600 -0.489 0.000 1.365 103 M HN 0.108 nan 8.290 nan 0.000 0.411 104 S N 0.421 116.024 115.700 -0.162 0.000 2.382 104 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 104 S C 1.972 176.499 174.600 -0.122 0.000 1.027 104 S CA 1.746 59.984 58.200 0.064 0.000 0.991 104 S CB -0.338 63.080 63.200 0.363 0.000 0.823 104 S HN 0.521 nan 8.310 nan 0.000 0.469 105 T N 1.530 116.024 114.554 -0.100 0.000 2.708 105 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 105 T C 1.936 176.606 174.700 -0.051 0.000 1.037 105 T CA 1.547 63.600 62.100 -0.079 0.000 1.146 105 T CB -0.226 68.597 68.868 -0.075 0.000 0.865 105 T HN 0.230 nan 8.240 nan 0.000 0.435 106 R N 1.686 122.150 120.500 -0.060 0.000 2.075 106 R HA 0.179 4.519 4.340 -0.000 0.000 0.232 106 R C 2.410 178.725 176.300 0.024 0.000 1.126 106 R CA 1.602 57.686 56.100 -0.027 0.000 0.963 106 R CB -1.011 29.248 30.300 -0.067 0.000 0.858 106 R HN 0.325 nan 8.270 nan 0.000 0.435 107 A N 0.287 123.106 122.820 -0.002 0.000 1.933 107 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 107 A C 2.142 179.690 177.584 -0.060 0.000 1.175 107 A CA 1.635 53.693 52.037 0.035 0.000 0.628 107 A CB -0.639 18.460 19.000 0.166 0.000 0.814 107 A HN 0.594 nan 8.150 nan 0.000 0.444 108 Q N -1.968 117.669 119.800 -0.270 0.000 2.079 108 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 108 Q C 1.918 177.909 176.000 -0.015 0.000 0.974 108 Q CA 1.758 57.434 55.803 -0.211 0.000 0.840 108 Q CB -0.335 28.238 28.738 -0.274 0.000 0.898 108 Q HN 0.754 nan 8.270 nan 0.000 0.430 109 Y N 0.677 120.928 120.300 -0.082 0.000 2.207 109 Y HA -0.190 4.360 4.550 0.000 0.000 0.287 109 Y C 1.456 177.338 175.900 -0.030 0.000 1.156 109 Y CA 1.528 59.601 58.100 -0.046 0.000 1.182 109 Y CB 0.087 38.518 38.460 -0.049 0.000 0.979 109 Y HN 0.130 nan 8.280 nan 0.000 0.521 110 L N 0.535 121.837 121.223 0.131 0.000 2.612 110 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 110 L C 0.572 177.445 176.870 0.006 0.000 1.140 110 L CA 0.570 55.451 54.840 0.068 0.000 0.896 110 L CB -0.298 41.811 42.059 0.083 0.000 1.065 110 L HN 0.174 nan 8.230 nan 0.000 0.447 111 K N -0.700 119.699 120.400 -0.001 0.000 3.291 111 K HA -0.157 4.163 4.320 -0.000 0.000 0.290 111 K C 0.473 177.115 176.600 0.071 0.000 1.235 111 K CA 0.418 56.715 56.287 0.016 0.000 0.848 111 K CB -1.869 30.616 32.500 -0.024 0.000 1.295 111 K HN 0.287 nan 8.250 nan 0.000 0.497 112 S N 0.470 116.243 115.700 0.121 0.000 2.573 112 S HA 0.128 4.598 4.470 -0.000 0.000 0.277 112 S C 1.157 175.890 174.600 0.222 0.000 1.346 112 S CA -0.347 57.958 58.200 0.173 0.000 1.034 112 S CB 0.581 63.923 63.200 0.237 0.000 0.879 112 S HN 0.274 nan 8.310 nan 0.000 0.528 113 N N 1.800 120.581 118.700 0.134 0.000 2.446 113 N HA 0.246 4.986 4.740 -0.000 0.000 0.179 113 N C 0.615 176.116 175.510 -0.014 0.000 1.054 113 N CA 0.837 53.931 53.050 0.074 0.000 0.905 113 N CB 0.265 38.780 38.487 0.045 0.000 0.973 113 N HN 0.779 nan 8.380 nan 0.000 0.448 114 G N -1.739 107.053 108.800 -0.014 0.000 2.337 114 G HA2 0.249 4.209 3.960 -0.000 0.000 0.298 114 G HA3 0.249 4.209 3.960 -0.000 0.000 0.298 114 G C -1.661 173.230 174.900 -0.015 0.000 1.335 114 G CA -0.710 44.275 45.100 -0.193 0.000 0.875 114 G HN -0.052 nan 8.290 nan 0.000 0.579 115 T N -0.278 114.243 114.554 -0.056 0.000 2.886 115 T HA 0.637 4.987 4.350 -0.000 0.000 0.292 115 T C -0.782 173.820 174.700 -0.164 0.000 1.012 115 T CA -0.462 61.577 62.100 -0.102 0.000 0.982 115 T CB 1.968 70.709 68.868 -0.212 0.000 1.018 115 T HN 0.833 nan 8.240 nan 0.000 0.451 116 V N 3.379 123.147 119.914 -0.243 0.000 2.407 116 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 116 V C -0.451 175.368 176.094 -0.458 0.000 1.018 116 V CA -0.738 61.344 62.300 -0.363 0.000 0.842 116 V CB 1.678 33.237 31.823 -0.439 0.000 0.996 116 V HN 0.742 nan 8.190 nan 0.000 0.426 117 V N 5.432 125.033 119.914 -0.520 0.000 2.357 117 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 117 V C -0.293 175.447 176.094 -0.591 0.000 1.018 117 V CA -0.375 61.647 62.300 -0.463 0.000 0.841 117 V CB 1.308 32.893 31.823 -0.396 0.000 0.991 117 V HN 0.737 nan 8.190 nan 0.000 0.437 118 F N 4.584 124.286 119.950 -0.413 0.000 2.640 118 F HA 0.629 5.156 4.527 -0.000 0.000 0.354 118 F C 1.158 176.837 175.800 -0.202 0.000 1.213 118 F CA 0.550 58.209 58.000 -0.568 0.000 1.314 118 F CB 0.339 39.125 39.000 -0.358 0.000 1.679 118 F HN 0.743 nan 8.300 nan 0.000 0.622 119 G N 0.752 109.532 108.800 -0.034 0.000 2.399 119 G HA2 0.335 4.295 3.960 -0.000 0.000 0.256 119 G HA3 0.335 4.295 3.960 -0.000 0.000 0.256 119 G C -1.363 173.559 174.900 0.036 0.000 1.236 119 G CA -1.228 43.936 45.100 0.106 0.000 0.914 119 G HN 0.133 nan 8.290 nan 0.000 0.482 120 R N -0.126 120.377 120.500 0.005 0.000 2.604 120 R HA 0.697 5.037 4.340 -0.000 0.000 0.287 120 R C 0.087 176.396 176.300 0.015 0.000 0.970 120 R CA -0.601 55.509 56.100 0.018 0.000 0.946 120 R CB 1.858 32.176 30.300 0.030 0.000 1.127 120 R HN 0.701 nan 8.270 nan 0.000 0.473 121 I N -1.253 119.343 120.570 0.043 0.000 2.750 121 I HA 0.644 4.814 4.170 -0.000 0.000 0.308 121 I C -0.232 175.971 176.117 0.142 0.000 1.016 121 I CA -1.201 60.173 61.300 0.124 0.000 1.098 121 I CB 1.907 39.965 38.000 0.097 0.000 1.279 121 I HN 0.647 nan 8.210 nan 0.000 0.454 122 R N 1.200 121.820 120.500 0.201 0.000 2.930 122 R HA 0.492 4.832 4.340 -0.000 0.000 0.257 122 R C -1.190 175.241 176.300 0.219 0.000 1.107 122 R CA -0.507 55.691 56.100 0.162 0.000 0.999 122 R CB 0.961 31.319 30.300 0.097 0.000 1.209 122 R HN 0.735 nan 8.270 nan 0.000 0.486 123 D N -0.006 120.457 120.400 0.105 0.000 2.716 123 D HA -0.122 4.518 4.640 -0.000 0.000 0.239 123 D C 1.097 177.427 176.300 0.050 0.000 1.125 123 D CA 0.722 54.730 54.000 0.014 0.000 0.681 123 D CB -1.474 39.256 40.800 -0.116 0.000 1.070 123 D HN 0.388 nan 8.370 nan 0.000 0.432 124 V N 0.349 120.353 119.914 0.150 0.000 2.250 124 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 124 V C 2.146 178.320 176.094 0.133 0.000 1.060 124 V CA 2.373 64.795 62.300 0.205 0.000 1.030 124 V CB -0.130 31.761 31.823 0.115 0.000 0.643 124 V HN 0.269 nan 8.190 nan 0.000 0.445 125 D N -0.803 119.627 120.400 0.049 0.000 2.178 125 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 125 D C 2.144 178.436 176.300 -0.013 0.000 0.980 125 D CA 1.306 55.319 54.000 0.022 0.000 0.842 125 D CB -0.155 40.649 40.800 0.008 0.000 0.948 125 D HN 0.639 nan 8.370 nan 0.000 0.472 126 E N -0.251 119.893 120.200 -0.093 0.000 2.072 126 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 126 E C 1.719 178.226 176.600 -0.156 0.000 0.985 126 E CA 0.947 57.249 56.400 -0.164 0.000 0.801 126 E CB 0.033 29.575 29.700 -0.264 0.000 0.750 126 E HN 0.445 nan 8.360 nan 0.000 0.452 127 H N -0.436 118.670 119.070 0.059 0.000 2.387 127 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 127 H C 2.218 177.594 175.328 0.080 0.000 1.090 127 H CA 1.640 57.749 56.048 0.102 0.000 1.332 127 H CB 0.054 29.890 29.762 0.123 0.000 1.386 127 H HN 0.048 nan 8.280 nan 0.000 0.516 128 R N -0.303 120.286 120.500 0.149 0.000 2.073 128 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 128 R C 2.173 178.510 176.300 0.060 0.000 1.120 128 R CA 1.655 57.808 56.100 0.088 0.000 0.967 128 R CB -0.166 30.170 30.300 0.060 0.000 0.862 128 R HN 0.251 nan 8.270 nan 0.000 0.436 129 T N 1.516 116.093 114.554 0.039 0.000 2.821 129 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 129 T C 1.761 176.483 174.700 0.036 0.000 1.046 129 T CA 0.939 63.054 62.100 0.025 0.000 1.139 129 T CB -0.072 68.799 68.868 0.004 0.000 0.871 129 T HN 0.123 nan 8.240 nan 0.000 0.454 130 L N 0.905 122.158 121.223 0.050 0.000 2.275 130 L HA 0.004 4.344 4.340 -0.000 0.000 0.215 130 L C 0.634 177.569 176.870 0.109 0.000 1.119 130 L CA 0.381 55.266 54.840 0.073 0.000 0.790 130 L CB -0.569 41.542 42.059 0.087 0.000 0.919 130 L HN 0.311 nan 8.230 nan 0.000 0.443 131 N N -0.226 118.541 118.700 0.112 0.000 2.740 131 N HA -0.238 4.502 4.740 -0.000 0.000 0.248 131 N C -0.179 175.426 175.510 0.158 0.000 1.062 131 N CA 0.720 53.833 53.050 0.105 0.000 0.704 131 N CB -1.593 36.937 38.487 0.072 0.000 0.968 131 N HN 0.430 nan 8.380 nan 0.000 0.547 132 H N 0.583 119.710 119.070 0.095 0.000 2.556 132 H HA 0.416 4.972 4.556 -0.000 0.000 0.310 132 H C -2.378 173.016 175.328 0.109 0.000 1.057 132 H CA -1.665 54.453 56.048 0.117 0.000 1.264 132 H CB 1.040 30.902 29.762 0.168 0.000 1.404 132 H HN -0.024 nan 8.280 nan 0.000 0.462 133 P HA 0.074 nan 4.420 nan 0.000 0.271 133 P C -1.049 176.141 177.300 -0.184 0.000 1.220 133 P CA -0.058 62.932 63.100 -0.184 0.000 0.768 133 P CB 0.856 32.494 31.700 -0.104 0.000 0.848 134 V N 4.865 124.680 119.914 -0.164 0.000 2.668 134 V HA 0.417 4.537 4.120 -0.000 0.000 0.304 134 V C -0.584 175.352 176.094 -0.263 0.000 1.071 134 V CA -0.380 61.821 62.300 -0.166 0.000 0.894 134 V CB 1.348 33.026 31.823 -0.242 0.000 1.008 134 V HN 0.355 nan 8.190 nan 0.000 0.425 135 F N 2.751 122.549 119.950 -0.254 0.000 2.480 135 F HA 0.900 5.427 4.527 -0.000 0.000 0.329 135 F C 0.487 176.081 175.800 -0.342 0.000 1.091 135 F CA -0.305 57.541 58.000 -0.258 0.000 0.972 135 F CB 2.172 41.003 39.000 -0.281 0.000 1.150 135 F HN 0.672 nan 8.300 nan 0.000 0.467 136 A N 1.626 124.367 122.820 -0.132 0.000 2.599 136 A HA 0.506 4.826 4.320 -0.000 0.000 0.290 136 A C -0.969 176.558 177.584 -0.096 0.000 1.101 136 A CA -0.612 51.295 52.037 -0.217 0.000 0.674 136 A CB 0.457 19.364 19.000 -0.156 0.000 1.277 136 A HN 0.624 nan 8.150 nan 0.000 0.419 137 Y N 0.476 120.728 120.300 -0.081 0.000 2.373 137 Y HA 0.322 4.871 4.550 -0.000 0.000 0.293 137 Y C 1.693 177.612 175.900 0.031 0.000 1.129 137 Y CA 1.179 59.288 58.100 0.015 0.000 1.226 137 Y CB -0.085 38.416 38.460 0.069 0.000 1.000 137 Y HN 1.112 nan 8.280 nan 0.000 0.549 138 G N -1.532 107.362 108.800 0.157 0.000 2.427 138 G HA2 0.454 4.414 3.960 -0.000 0.000 0.306 138 G HA3 0.454 4.414 3.960 -0.000 0.000 0.306 138 G C -1.721 173.218 174.900 0.065 0.000 1.280 138 G CA -0.215 44.948 45.100 0.105 0.000 0.837 138 G HN 0.182 nan 8.290 nan 0.000 0.482 139 V N -2.359 117.594 119.914 0.064 0.000 3.046 139 V HA 1.076 5.196 4.120 -0.000 0.000 0.316 139 V C 0.273 176.400 176.094 0.054 0.000 1.104 139 V CA 0.107 62.443 62.300 0.060 0.000 1.006 139 V CB 1.504 33.365 31.823 0.064 0.000 1.058 139 V HN 2.139 nan 8.190 nan 0.000 0.440 140 G N 0.362 109.196 108.800 0.057 0.000 2.708 140 G HA2 0.568 4.528 3.960 -0.000 0.000 0.289 140 G HA3 0.568 4.528 3.960 -0.000 0.000 0.289 140 G C 0.132 175.063 174.900 0.051 0.000 1.416 140 G CA 0.054 45.183 45.100 0.048 0.000 0.829 140 G HN 1.611 nan 8.290 nan 0.000 0.480 141 S N -2.281 113.444 115.700 0.041 0.000 2.505 141 S HA 0.181 4.651 4.470 -0.000 0.000 0.216 141 S C 0.729 175.351 174.600 0.036 0.000 1.018 141 S CA 0.123 58.345 58.200 0.038 0.000 0.911 141 S CB -0.080 63.138 63.200 0.030 0.000 0.818 141 S HN 0.789 nan 8.310 nan 0.000 0.497 142 C N 2.723 122.045 119.300 0.037 0.000 2.376 142 C HA 0.854 5.314 4.460 -0.000 0.000 0.335 142 C C 0.856 175.872 174.990 0.044 0.000 1.229 142 C CA -0.673 58.367 59.018 0.036 0.000 1.867 142 C CB 0.265 28.025 27.740 0.032 0.000 2.319 142 C HN 0.704 nan 8.230 nan 0.000 0.515 143 A N 6.645 129.492 122.820 0.046 0.000 2.448 143 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 143 A C -1.261 176.364 177.584 0.067 0.000 1.080 143 A CA -0.534 51.538 52.037 0.059 0.000 0.779 143 A CB 0.001 19.034 19.000 0.055 0.000 1.026 143 A HN 0.814 nan 8.150 nan 0.000 0.499 144 P HA -0.029 nan 4.420 nan 0.000 0.241 144 P C 1.073 178.438 177.300 0.108 0.000 1.191 144 P CA 0.474 63.638 63.100 0.105 0.000 0.771 144 P CB 0.089 31.885 31.700 0.159 0.000 0.929 145 K N 1.271 121.727 120.400 0.094 0.000 2.097 145 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 145 K C 1.802 178.443 176.600 0.068 0.000 1.052 145 K CA 2.159 58.494 56.287 0.079 0.000 0.932 145 K CB -0.520 32.015 32.500 0.058 0.000 0.716 145 K HN 0.069 nan 8.250 nan 0.000 0.455 146 A N -0.211 122.645 122.820 0.059 0.000 2.218 146 A HA 0.057 4.377 4.320 -0.000 0.000 0.209 146 A C 1.675 179.293 177.584 0.055 0.000 1.168 146 A CA 0.974 53.041 52.037 0.050 0.000 0.804 146 A CB 0.131 19.155 19.000 0.041 0.000 0.834 146 A HN 0.314 nan 8.150 nan 0.000 0.482 147 V N -3.810 116.145 119.914 0.068 0.000 3.159 147 V HA 0.413 4.533 4.120 -0.000 0.000 0.234 147 V C 0.533 176.683 176.094 0.092 0.000 1.313 147 V CA 0.570 62.912 62.300 0.071 0.000 1.271 147 V CB -0.224 31.634 31.823 0.058 0.000 1.053 147 V HN 0.581 nan 8.190 nan 0.000 0.476 148 V N -0.133 119.858 119.914 0.128 0.000 3.130 148 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 148 V C -1.137 175.101 176.094 0.240 0.000 1.158 148 V CA -0.593 61.818 62.300 0.186 0.000 1.029 148 V CB 1.896 33.859 31.823 0.234 0.000 1.057 148 V HN 0.911 nan 8.190 nan 0.000 0.436 149 K N 1.794 122.310 120.400 0.193 0.000 2.532 149 K HA 0.898 5.218 4.320 -0.000 0.000 0.265 149 K C -0.685 175.710 176.600 -0.342 0.000 0.948 149 K CA -0.431 55.873 56.287 0.028 0.000 0.842 149 K CB 2.387 34.889 32.500 0.003 0.000 1.392 149 K HN 1.451 nan 8.250 nan 0.000 0.436 150 A N 1.380 123.745 122.820 -0.758 0.000 2.409 150 A HA 0.366 4.686 4.320 -0.000 0.000 0.267 150 A C 0.710 178.080 177.584 -0.357 0.000 1.127 150 A CA -0.212 51.258 52.037 -0.944 0.000 0.795 150 A CB 0.030 18.534 19.000 -0.828 0.000 1.061 150 A HN 0.918 nan 8.150 nan 0.000 0.502 151 V N 0.441 120.196 119.914 -0.265 0.000 3.502 151 V HA 0.611 4.731 4.120 -0.000 0.000 0.288 151 V C 0.617 176.652 176.094 -0.099 0.000 1.461 151 V CA 0.508 62.731 62.300 -0.129 0.000 1.029 151 V CB -0.210 31.567 31.823 -0.076 0.000 0.843 151 V HN 1.292 nan 8.190 nan 0.000 0.438 152 G N 0.533 109.257 108.800 -0.128 0.000 2.746 152 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 152 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 152 G C -0.791 174.036 174.900 -0.123 0.000 1.426 152 G CA 0.164 45.208 45.100 -0.093 0.000 0.989 152 G HN 0.498 nan 8.290 nan 0.000 0.520 153 T N -0.940 113.560 114.554 -0.089 0.000 2.907 153 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 153 T C 0.237 174.883 174.700 -0.090 0.000 1.043 153 T CA -0.750 61.263 62.100 -0.144 0.000 1.003 153 T CB 1.702 70.538 68.868 -0.052 0.000 1.084 153 T HN 0.708 nan 8.240 nan 0.000 0.483 154 N N -0.260 118.361 118.700 -0.132 0.000 2.725 154 N HA -0.133 4.607 4.740 -0.000 0.000 0.251 154 N C 0.069 175.550 175.510 -0.049 0.000 1.031 154 N CA 1.060 54.084 53.050 -0.044 0.000 0.720 154 N CB -1.742 36.775 38.487 0.050 0.000 0.930 154 N HN 1.002 nan 8.380 nan 0.000 0.543 155 V N -3.067 116.799 119.914 -0.080 0.000 3.019 155 V HA 0.483 4.603 4.120 -0.000 0.000 0.317 155 V C 0.701 176.751 176.094 -0.073 0.000 1.094 155 V CA -1.080 61.181 62.300 -0.065 0.000 1.000 155 V CB 2.216 34.000 31.823 -0.064 0.000 1.060 155 V HN 0.215 nan 8.190 nan 0.000 0.443 156 Q N 1.042 120.807 119.800 -0.060 0.000 2.364 156 Q HA 0.425 4.765 4.340 -0.000 0.000 0.267 156 Q C -1.311 174.643 176.000 -0.077 0.000 0.999 156 Q CA -0.208 55.556 55.803 -0.065 0.000 0.886 156 Q CB 0.831 29.540 28.738 -0.048 0.000 1.243 156 Q HN 0.769 nan 8.270 nan 0.000 0.415 157 L N 4.051 125.215 121.223 -0.099 0.000 2.322 157 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 157 L C -0.578 176.220 176.870 -0.120 0.000 1.014 157 L CA -0.696 54.069 54.840 -0.125 0.000 0.815 157 L CB 1.713 43.662 42.059 -0.183 0.000 1.247 157 L HN 0.566 nan 8.230 nan 0.000 0.421 158 K N 4.436 124.774 120.400 -0.104 0.000 2.240 158 K HA 0.571 4.891 4.320 -0.000 0.000 0.271 158 K C -1.012 175.512 176.600 -0.127 0.000 1.018 158 K CA -0.597 55.639 56.287 -0.084 0.000 0.874 158 K CB 1.950 34.420 32.500 -0.051 0.000 1.098 158 K HN 0.325 nan 8.250 nan 0.000 0.458 159 I N 4.354 124.845 120.570 -0.131 0.000 2.382 159 I HA 0.152 4.322 4.170 -0.000 0.000 0.286 159 I C -0.463 175.597 176.117 -0.095 0.000 1.002 159 I CA -1.061 60.133 61.300 -0.177 0.000 1.135 159 I CB 1.054 38.878 38.000 -0.295 0.000 1.288 159 I HN 0.500 nan 8.210 nan 0.000 0.448 160 L N 8.297 129.486 121.223 -0.057 0.000 2.456 160 L HA 0.281 4.621 4.340 -0.000 0.000 0.277 160 L C 0.816 177.657 176.870 -0.049 0.000 1.124 160 L CA 0.478 55.288 54.840 -0.050 0.000 0.880 160 L CB 0.281 42.323 42.059 -0.029 0.000 1.192 160 L HN 0.819 nan 8.230 nan 0.000 0.463 161 T N 0.618 115.114 114.554 -0.096 0.000 2.881 161 T HA 0.350 4.700 4.350 -0.000 0.000 0.278 161 T C 1.117 175.753 174.700 -0.108 0.000 0.982 161 T CA -0.120 61.908 62.100 -0.119 0.000 0.989 161 T CB 1.115 69.869 68.868 -0.190 0.000 1.058 161 T HN 0.673 nan 8.240 nan 0.000 0.529 162 S N -0.620 115.014 115.700 -0.110 0.000 2.603 162 S HA -0.014 4.456 4.470 -0.000 0.000 0.220 162 S C 1.000 175.567 174.600 -0.056 0.000 0.967 162 S CA 0.377 58.538 58.200 -0.064 0.000 0.920 162 S CB -0.621 62.590 63.200 0.019 0.000 0.773 162 S HN 0.884 nan 8.310 nan 0.000 0.529 163 D N 0.162 120.527 120.400 -0.059 0.000 2.339 163 D HA 0.270 4.910 4.640 -0.000 0.000 0.217 163 D C 1.422 177.688 176.300 -0.058 0.000 1.050 163 D CA 0.563 54.537 54.000 -0.043 0.000 0.856 163 D CB -0.494 40.288 40.800 -0.031 0.000 0.922 163 D HN 0.491 nan 8.370 nan 0.000 0.518 164 G N -0.668 108.082 108.800 -0.082 0.000 2.194 164 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 164 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 164 G C 0.086 174.944 174.900 -0.070 0.000 0.987 164 G CA 0.130 45.182 45.100 -0.080 0.000 0.635 164 G HN 0.371 nan 8.290 nan 0.000 0.520 165 V N 1.861 121.728 119.914 -0.077 0.000 2.509 165 V HA 0.571 4.691 4.120 -0.000 0.000 0.284 165 V C 0.720 176.756 176.094 -0.096 0.000 1.047 165 V CA 0.150 62.403 62.300 -0.079 0.000 0.952 165 V CB 1.612 33.383 31.823 -0.085 0.000 0.988 165 V HN 0.250 nan 8.190 nan 0.000 0.469 166 T N 5.772 120.279 114.554 -0.079 0.000 2.728 166 T HA 0.343 4.692 4.350 -0.000 0.000 0.296 166 T C -0.182 174.466 174.700 -0.087 0.000 0.940 166 T CA -0.412 61.641 62.100 -0.080 0.000 1.013 166 T CB 0.518 69.354 68.868 -0.053 0.000 0.912 166 T HN 0.590 nan 8.240 nan 0.000 0.484 167 Q N 2.083 121.814 119.800 -0.115 0.000 2.248 167 Q HA 0.587 4.927 4.340 -0.000 0.000 0.263 167 Q C 0.146 176.178 176.000 0.052 0.000 1.007 167 Q CA -0.731 55.014 55.803 -0.096 0.000 0.877 167 Q CB 1.927 30.449 28.738 -0.360 0.000 1.315 167 Q HN 0.787 nan 8.270 nan 0.000 0.454 168 T N -1.799 112.819 114.554 0.106 0.000 2.912 168 T HA 0.855 5.205 4.350 -0.000 0.000 0.288 168 T C 0.221 174.969 174.700 0.079 0.000 1.030 168 T CA -0.592 61.547 62.100 0.066 0.000 1.020 168 T CB 1.092 69.963 68.868 0.006 0.000 1.056 168 T HN 0.448 nan 8.240 nan 0.000 0.480 172 G N 0.961 109.708 108.800 -0.089 0.000 2.199 172 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 172 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 172 G C 0.028 174.758 174.900 -0.284 0.000 0.982 172 G CA 0.164 45.165 45.100 -0.165 0.000 0.632 172 G HN 0.691 nan 8.290 nan 0.000 0.529 173 D N 0.047 120.325 120.400 -0.204 0.000 2.449 173 D HA 0.359 4.999 4.640 -0.000 0.000 0.236 173 D C 0.419 176.581 176.300 -0.230 0.000 1.149 173 D CA 0.270 54.149 54.000 -0.201 0.000 0.878 173 D CB 0.186 40.920 40.800 -0.110 0.000 1.198 173 D HN 0.224 nan 8.370 nan 0.000 0.446 174 Y N 1.065 121.350 120.300 -0.026 0.000 2.335 174 Y HA 0.205 4.755 4.550 0.000 0.000 0.331 174 Y C 0.458 176.334 175.900 -0.040 0.000 1.094 174 Y CA -0.325 57.761 58.100 -0.022 0.000 1.253 174 Y CB 0.588 39.047 38.460 -0.003 0.000 1.203 174 Y HN 0.060 nan 8.280 nan 0.000 0.508 175 I N 3.395 124.026 120.570 0.102 0.000 2.406 175 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 175 I C -0.123 175.987 176.117 -0.011 0.000 0.999 175 I CA -1.092 60.201 61.300 -0.011 0.000 1.124 175 I CB 1.028 38.973 38.000 -0.092 0.000 1.289 175 I HN 0.625 nan 8.210 nan 0.000 0.441 176 A N 4.390 127.189 122.820 -0.036 0.000 2.365 176 A HA 0.929 5.249 4.320 -0.000 0.000 0.318 176 A C -0.121 177.372 177.584 -0.152 0.000 1.091 176 A CA -0.509 51.499 52.037 -0.049 0.000 0.763 176 A CB 1.770 20.782 19.000 0.020 0.000 1.248 176 A HN 0.849 nan 8.150 nan 0.000 0.442 177 G N 1.264 109.938 108.800 -0.209 0.000 2.662 177 G HA2 0.648 4.608 3.960 -0.000 0.000 0.302 177 G HA3 0.648 4.608 3.960 -0.000 0.000 0.302 177 G C -1.307 173.564 174.900 -0.048 0.000 1.389 177 G CA -0.202 44.639 45.100 -0.431 0.000 0.998 177 G HN 0.974 nan 8.290 nan 0.000 0.502 178 D N -0.422 120.039 120.400 0.102 0.000 3.057 178 D HA 0.203 4.843 4.640 -0.000 0.000 0.328 178 D C 0.429 176.913 176.300 0.306 0.000 1.317 178 D CA -0.764 53.383 54.000 0.244 0.000 0.973 178 D CB 0.160 41.041 40.800 0.136 0.000 1.424 178 D HN 0.111 nan 8.370 nan 0.000 0.569 179 N N -0.577 118.242 118.700 0.197 0.000 2.573 179 N HA -0.019 4.721 4.740 -0.000 0.000 0.187 179 N C 0.433 176.042 175.510 0.164 0.000 1.107 179 N CA 0.367 53.515 53.050 0.163 0.000 0.918 179 N CB -0.339 38.206 38.487 0.095 0.000 0.966 179 N HN 0.342 nan 8.380 nan 0.000 0.448 180 N N 0.142 118.940 118.700 0.162 0.000 2.353 180 N HA 0.083 4.823 4.740 -0.000 0.000 0.185 180 N C 1.194 176.870 175.510 0.277 0.000 1.098 180 N CA 0.606 53.747 53.050 0.152 0.000 0.872 180 N CB 1.141 39.672 38.487 0.074 0.000 0.970 180 N HN 0.206 nan 8.380 nan 0.000 0.467 181 G N 0.951 109.928 108.800 0.294 0.000 2.378 181 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.198 181 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.198 181 G C -1.470 173.454 174.900 0.041 0.000 1.223 181 G CA -0.763 44.499 45.100 0.270 0.000 1.088 181 G HN 0.003 nan 8.290 nan 0.000 0.530 182 I N 1.585 122.118 120.570 -0.061 0.000 2.433 182 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 182 I C 0.650 176.804 176.117 0.061 0.000 1.001 182 I CA -0.831 60.360 61.300 -0.181 0.000 1.119 182 I CB 0.856 38.655 38.000 -0.334 0.000 1.289 182 I HN 1.114 nan 8.210 nan 0.000 0.438 183 V N 4.534 124.503 119.914 0.092 0.000 2.914 183 V HA 0.735 4.855 4.120 -0.000 0.000 0.314 183 V C -0.437 175.730 176.094 0.122 0.000 1.084 183 V CA -0.863 61.562 62.300 0.208 0.000 0.963 183 V CB 2.764 34.714 31.823 0.211 0.000 1.025 183 V HN 0.844 nan 8.190 nan 0.000 0.432 184 R N 3.259 123.874 120.500 0.192 0.000 2.513 184 R HA 0.615 4.955 4.340 -0.000 0.000 0.301 184 R C -1.689 174.692 176.300 0.135 0.000 0.968 184 R CA -0.770 55.391 56.100 0.101 0.000 0.872 184 R CB 1.740 32.048 30.300 0.013 0.000 1.177 184 R HN 0.947 nan 8.270 nan 0.000 0.444 185 I N 6.838 127.483 120.570 0.125 0.000 2.304 185 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 185 I C -1.892 174.268 176.117 0.072 0.000 1.018 185 I CA -2.212 59.160 61.300 0.119 0.000 1.260 185 I CB 1.964 40.077 38.000 0.187 0.000 1.390 185 I HN 0.278 nan 8.210 nan 0.000 0.475 186 P HA 0.029 nan 4.420 nan 0.000 0.279 186 P C 0.936 178.206 177.300 -0.050 0.000 1.318 186 P CA -0.200 62.882 63.100 -0.030 0.000 0.819 186 P CB 1.006 32.679 31.700 -0.045 0.000 0.927 187 V N 2.243 122.129 119.914 -0.046 0.000 2.667 187 V HA -0.266 3.854 4.120 -0.000 0.000 0.252 187 V C 1.838 177.908 176.094 -0.040 0.000 1.065 187 V CA 1.411 63.690 62.300 -0.034 0.000 1.083 187 V CB -1.558 30.200 31.823 -0.109 0.000 0.692 187 V HN 0.207 nan 8.190 nan 0.000 0.468 188 Q N 1.629 121.398 119.800 -0.051 0.000 2.135 188 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 188 Q C 1.948 177.919 176.000 -0.048 0.000 0.981 188 Q CA 2.261 58.039 55.803 -0.041 0.000 0.856 188 Q CB -0.503 28.211 28.738 -0.039 0.000 0.902 188 Q HN 0.801 nan 8.270 nan 0.000 0.425 189 E N -0.092 120.056 120.200 -0.086 0.000 2.481 189 E HA 0.081 4.431 4.350 -0.000 0.000 0.198 189 E C -0.432 176.016 176.600 -0.253 0.000 1.027 189 E CA 0.336 56.658 56.400 -0.128 0.000 0.900 189 E CB 0.814 30.427 29.700 -0.145 0.000 0.993 189 E HN 0.325 nan 8.360 nan 0.000 0.482 190 T N -1.501 112.925 114.554 -0.214 0.000 2.861 190 T HA 0.262 4.612 4.350 -0.000 0.000 0.287 190 T C -0.772 173.926 174.700 -0.003 0.000 1.003 190 T CA -1.134 60.791 62.100 -0.292 0.000 0.977 190 T CB 1.883 70.575 68.868 -0.292 0.000 0.996 190 T HN -0.218 nan 8.240 nan 0.000 0.448 191 D N 3.547 124.039 120.400 0.154 0.000 2.411 191 D HA 0.161 4.801 4.640 -0.000 0.000 0.225 191 D C 1.165 177.568 176.300 0.173 0.000 1.156 191 D CA -0.996 53.104 54.000 0.167 0.000 0.874 191 D CB 0.285 41.200 40.800 0.192 0.000 1.034 191 D HN 0.433 nan 8.370 nan 0.000 0.502 192 I N 2.416 123.065 120.570 0.132 0.000 2.286 192 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 192 I C 2.093 178.280 176.117 0.117 0.000 1.115 192 I CA 0.675 62.048 61.300 0.123 0.000 1.392 192 I CB -1.071 36.993 38.000 0.106 0.000 1.065 192 I HN 0.316 nan 8.210 nan 0.000 0.418 193 S N 0.667 116.429 115.700 0.102 0.000 2.356 193 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 193 S C 2.034 176.697 174.600 0.106 0.000 1.032 193 S CA 1.381 59.635 58.200 0.091 0.000 1.005 193 S CB -0.233 63.010 63.200 0.071 0.000 0.867 193 S HN 0.412 nan 8.310 nan 0.000 0.449 194 K N 0.712 121.180 120.400 0.113 0.000 2.057 194 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 194 K C 2.198 178.882 176.600 0.140 0.000 1.049 194 K CA 1.173 57.524 56.287 0.106 0.000 0.931 194 K CB -0.291 32.263 32.500 0.089 0.000 0.714 194 K HN 0.228 nan 8.250 nan 0.000 0.440 195 L N 0.996 122.332 121.223 0.188 0.000 1.994 195 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 195 L C 2.111 179.103 176.870 0.203 0.000 1.071 195 L CA 1.407 56.376 54.840 0.215 0.000 0.745 195 L CB -0.470 41.742 42.059 0.255 0.000 0.892 195 L HN -0.024 nan 8.230 nan 0.000 0.431 196 V N -0.603 119.432 119.914 0.202 0.000 2.343 196 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 196 V C 2.491 178.696 176.094 0.185 0.000 1.051 196 V CA 2.247 64.704 62.300 0.263 0.000 1.036 196 V CB -0.938 31.024 31.823 0.231 0.000 0.654 196 V HN 0.577 nan 8.190 nan 0.000 0.451 197 T N -1.019 113.618 114.554 0.138 0.000 2.720 197 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 197 T C 1.719 176.454 174.700 0.059 0.000 1.037 197 T CA 2.229 64.383 62.100 0.091 0.000 1.144 197 T CB -0.381 68.536 68.868 0.080 0.000 0.864 197 T HN 0.619 nan 8.240 nan 0.000 0.444 198 Y N 1.463 121.752 120.300 -0.017 0.000 2.145 198 Y HA -0.078 4.471 4.550 -0.000 0.000 0.286 198 Y C 2.046 177.884 175.900 -0.104 0.000 1.145 198 Y CA 1.027 59.096 58.100 -0.052 0.000 1.148 198 Y CB -0.435 37.993 38.460 -0.053 0.000 0.981 198 Y HN 0.153 nan 8.280 nan 0.000 0.507 199 I N 0.353 120.898 120.570 -0.042 0.000 2.208 199 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 199 I C 2.259 178.100 176.117 -0.459 0.000 1.097 199 I CA 1.815 62.911 61.300 -0.340 0.000 1.363 199 I CB -0.465 37.148 38.000 -0.645 0.000 1.051 199 I HN 0.319 nan 8.210 nan 0.000 0.413 200 E N 0.656 120.696 120.200 -0.266 0.000 2.058 200 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 200 E C 2.093 178.599 176.600 -0.157 0.000 0.997 200 E CA 1.399 57.729 56.400 -0.117 0.000 0.801 200 E CB -0.074 29.650 29.700 0.040 0.000 0.746 200 E HN 0.185 nan 8.360 nan 0.000 0.450 201 K N 0.790 121.065 120.400 -0.209 0.000 2.057 201 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 201 K C 2.152 178.575 176.600 -0.296 0.000 1.049 201 K CA 1.545 57.694 56.287 -0.229 0.000 0.931 201 K CB -0.605 31.744 32.500 -0.253 0.000 0.714 201 K HN -0.046 nan 8.250 nan 0.000 0.440 202 S N -0.214 115.212 115.700 -0.458 0.000 2.382 202 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 202 S C 1.874 176.338 174.600 -0.227 0.000 1.027 202 S CA 1.316 59.276 58.200 -0.399 0.000 0.991 202 S CB -0.309 62.599 63.200 -0.487 0.000 0.823 202 S HN 0.377 nan 8.310 nan 0.000 0.469 203 I N 1.122 121.564 120.570 -0.213 0.000 2.226 203 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 203 I C 2.509 178.572 176.117 -0.089 0.000 1.100 203 I CA 1.349 62.570 61.300 -0.132 0.000 1.374 203 I CB -0.377 37.555 38.000 -0.112 0.000 1.057 203 I HN 0.383 nan 8.210 nan 0.000 0.413 204 E N 0.261 120.405 120.200 -0.094 0.000 2.058 204 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 204 E C 2.311 178.870 176.600 -0.067 0.000 0.997 204 E CA 1.524 57.885 56.400 -0.066 0.000 0.801 204 E CB -0.092 29.569 29.700 -0.065 0.000 0.746 204 E HN 0.283 nan 8.360 nan 0.000 0.450 205 V N 1.895 121.755 119.914 -0.090 0.000 2.358 205 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 205 V C 1.656 177.714 176.094 -0.061 0.000 1.047 205 V CA 1.817 64.071 62.300 -0.076 0.000 1.035 205 V CB -0.451 31.315 31.823 -0.095 0.000 0.658 205 V HN 0.193 nan 8.190 nan 0.000 0.452 206 D N 0.310 120.669 120.400 -0.068 0.000 2.123 206 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 206 D C 2.140 178.419 176.300 -0.035 0.000 0.992 206 D CA 1.237 55.207 54.000 -0.049 0.000 0.833 206 D CB -0.304 40.463 40.800 -0.054 0.000 0.954 206 D HN 0.334 nan 8.370 nan 0.000 0.455 207 L N 0.163 121.365 121.223 -0.035 0.000 2.079 207 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 207 L C 2.483 179.340 176.870 -0.021 0.000 1.081 207 L CA 0.690 55.516 54.840 -0.023 0.000 0.752 207 L CB -0.265 41.782 42.059 -0.020 0.000 0.896 207 L HN 0.050 nan 8.230 nan 0.000 0.433 208 L N -1.447 119.761 121.223 -0.025 0.000 2.156 208 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 208 L C 2.413 179.271 176.870 -0.019 0.000 1.095 208 L CA 0.358 55.185 54.840 -0.021 0.000 0.770 208 L CB -0.332 41.713 42.059 -0.024 0.000 0.914 208 L HN 0.050 nan 8.230 nan 0.000 0.439 209 V N -1.045 118.856 119.914 -0.022 0.000 2.343 209 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 209 V C 2.679 178.764 176.094 -0.014 0.000 1.051 209 V CA 2.020 64.309 62.300 -0.018 0.000 1.036 209 V CB -0.478 31.333 31.823 -0.019 0.000 0.654 209 V HN 0.478 nan 8.190 nan 0.000 0.451 210 S N -0.215 115.477 115.700 -0.014 0.000 2.359 210 S HA -0.283 4.187 4.470 -0.000 0.000 0.224 210 S C 2.069 176.664 174.600 -0.008 0.000 1.035 210 S CA 2.175 60.369 58.200 -0.010 0.000 1.018 210 S CB -0.249 62.946 63.200 -0.009 0.000 0.876 210 S HN 0.652 nan 8.310 nan 0.000 0.448 211 E N 0.938 121.133 120.200 -0.009 0.000 2.106 211 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 211 E C 1.580 178.176 176.600 -0.007 0.000 0.984 211 E CA 1.497 57.893 56.400 -0.007 0.000 0.806 211 E CB -0.412 29.283 29.700 -0.008 0.000 0.750 211 E HN 0.474 nan 8.360 nan 0.000 0.458 212 D N 0.010 120.405 120.400 -0.009 0.000 2.106 212 D HA -0.188 4.452 4.640 -0.000 0.000 0.191 212 D C 1.954 178.251 176.300 -0.007 0.000 0.997 212 D CA 1.395 55.390 54.000 -0.008 0.000 0.834 212 D CB -0.275 40.519 40.800 -0.009 0.000 0.956 212 D HN 0.286 nan 8.370 nan 0.000 0.448 213 I N 0.596 121.162 120.570 -0.007 0.000 2.226 213 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 213 I C 2.211 178.326 176.117 -0.004 0.000 1.100 213 I CA 1.163 62.460 61.300 -0.005 0.000 1.374 213 I CB -0.150 37.847 38.000 -0.005 0.000 1.057 213 I HN -0.036 nan 8.210 nan 0.000 0.413 214 K N 0.480 120.878 120.400 -0.004 0.000 2.209 214 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 214 K C 1.295 177.893 176.600 -0.003 0.000 1.048 214 K CA 1.027 57.312 56.287 -0.003 0.000 0.940 214 K CB -0.190 32.309 32.500 -0.003 0.000 0.729 214 K HN 0.283 nan 8.250 nan 0.000 0.451 215 N N -0.306 118.392 118.700 -0.004 0.000 2.383 215 N HA 0.015 4.755 4.740 -0.000 0.000 0.192 215 N C 0.688 176.196 175.510 -0.003 0.000 1.141 215 N CA 0.847 53.895 53.050 -0.003 0.000 0.851 215 N CB 1.149 39.634 38.487 -0.004 0.000 0.976 215 N HN 0.378 nan 8.380 nan 0.000 0.465 216 G N 0.570 109.368 108.800 -0.003 0.000 2.157 216 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.239 216 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.239 216 G C 0.055 174.953 174.900 -0.003 0.000 0.982 216 G CA -0.344 44.755 45.100 -0.003 0.000 0.650 216 G HN 0.300 nan 8.290 nan 0.000 0.527 217 I N 2.180 122.748 120.570 -0.004 0.000 2.496 217 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 217 I C -1.504 174.610 176.117 -0.004 0.000 1.080 217 I CA -2.085 59.212 61.300 -0.004 0.000 1.404 217 I CB 0.885 38.881 38.000 -0.005 0.000 1.403 217 I HN -0.108 nan 8.210 nan 0.000 0.539 218 P HA -0.011 nan 4.420 nan 0.000 0.268 218 P C 0.268 177.566 177.300 -0.005 0.000 1.208 218 P CA -0.060 63.037 63.100 -0.004 0.000 0.777 218 P CB 0.740 32.438 31.700 -0.004 0.000 0.875 219 A N 2.694 125.511 122.820 -0.005 0.000 1.972 219 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 219 A C 2.055 179.636 177.584 -0.006 0.000 1.169 219 A CA 1.887 53.921 52.037 -0.006 0.000 0.635 219 A CB -0.910 18.087 19.000 -0.005 0.000 0.810 219 A HN 0.445 nan 8.150 nan 0.000 0.446 220 K N 0.158 120.555 120.400 -0.005 0.000 2.026 220 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 220 K C 2.220 178.817 176.600 -0.005 0.000 1.048 220 K CA 2.136 58.421 56.287 -0.005 0.000 0.929 220 K CB -0.534 31.963 32.500 -0.004 0.000 0.713 220 K HN 0.612 nan 8.250 nan 0.000 0.439 221 Q N -0.564 119.233 119.800 -0.005 0.000 2.050 221 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 221 Q C 1.871 177.867 176.000 -0.007 0.000 0.980 221 Q CA 1.943 57.743 55.803 -0.006 0.000 0.840 221 Q CB -0.328 28.407 28.738 -0.005 0.000 0.898 221 Q HN 0.363 nan 8.270 nan 0.000 0.424 222 A N 0.547 123.362 122.820 -0.008 0.000 1.908 222 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 222 A C 1.961 179.538 177.584 -0.011 0.000 1.181 222 A CA 1.774 53.805 52.037 -0.010 0.000 0.627 222 A CB -0.610 18.384 19.000 -0.010 0.000 0.818 222 A HN 0.573 nan 8.150 nan 0.000 0.445 223 Q N -0.604 119.191 119.800 -0.009 0.000 2.119 223 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 223 Q C 1.885 177.880 176.000 -0.008 0.000 0.972 223 Q CA 1.283 57.081 55.803 -0.009 0.000 0.847 223 Q CB -0.193 28.540 28.738 -0.007 0.000 0.903 223 Q HN 0.612 nan 8.270 nan 0.000 0.433 224 N N 0.932 119.628 118.700 -0.007 0.000 2.104 224 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 224 N C 1.183 176.689 175.510 -0.007 0.000 1.024 224 N CA 1.369 54.416 53.050 -0.006 0.000 0.853 224 N CB -0.270 38.214 38.487 -0.005 0.000 1.008 224 N HN 0.227 nan 8.380 nan 0.000 0.424 225 D N 0.208 120.602 120.400 -0.009 0.000 2.144 225 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 225 D C 1.983 178.274 176.300 -0.014 0.000 0.978 225 D CA 0.567 54.560 54.000 -0.011 0.000 0.833 225 D CB -0.133 40.660 40.800 -0.012 0.000 0.961 225 D HN 0.364 nan 8.370 nan 0.000 0.470 226 R N 0.979 121.469 120.500 -0.016 0.000 2.081 226 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 226 R C 2.258 178.550 176.300 -0.014 0.000 1.131 226 R CA 1.049 57.136 56.100 -0.022 0.000 0.960 226 R CB -0.038 30.248 30.300 -0.024 0.000 0.856 226 R HN 0.013 nan 8.270 nan 0.000 0.436 227 R N 0.105 120.601 120.500 -0.006 0.000 2.083 227 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 227 R C 2.144 178.445 176.300 0.002 0.000 1.137 227 R CA 2.087 58.188 56.100 0.002 0.000 0.951 227 R CB -0.226 30.075 30.300 0.002 0.000 0.851 227 R HN 0.253 nan 8.270 nan 0.000 0.434 228 S N -0.092 115.606 115.700 -0.003 0.000 2.383 228 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 228 S C 1.910 176.507 174.600 -0.005 0.000 1.030 228 S CA 1.386 59.583 58.200 -0.004 0.000 1.002 228 S CB -0.093 63.103 63.200 -0.006 0.000 0.829 228 S HN 0.163 nan 8.310 nan 0.000 0.467 229 V N 1.777 121.684 119.914 -0.011 0.000 2.323 229 V HA -0.066 4.054 4.120 -0.000 0.000 0.244 229 V C 2.093 178.178 176.094 -0.015 0.000 1.041 229 V CA 1.381 63.670 62.300 -0.018 0.000 1.025 229 V CB -0.607 31.197 31.823 -0.031 0.000 0.656 229 V HN 0.415 nan 8.190 nan 0.000 0.451 230 L N -0.708 120.510 121.223 -0.009 0.000 2.217 230 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 230 L C 2.531 179.437 176.870 0.061 0.000 1.107 230 L CA 0.770 55.621 54.840 0.018 0.000 0.783 230 L CB -0.512 41.566 42.059 0.032 0.000 0.919 230 L HN 0.232 nan 8.230 nan 0.000 0.442 231 K N 1.484 121.905 120.400 0.035 0.000 2.144 231 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 231 K C 1.571 178.186 176.600 0.024 0.000 1.047 231 K CA 1.589 57.892 56.287 0.026 0.000 0.927 231 K CB -0.267 32.239 32.500 0.011 0.000 0.716 231 K HN 0.438 nan 8.250 nan 0.000 0.454 232 K N -2.624 117.788 120.400 0.020 0.000 2.446 232 K HA 0.220 4.540 4.320 -0.000 0.000 0.203 232 K C 0.243 176.858 176.600 0.025 0.000 1.027 232 K CA 0.040 56.336 56.287 0.015 0.000 1.166 232 K CB 0.079 32.581 32.500 0.005 0.000 0.869 232 K HN 0.134 nan 8.250 nan 0.000 0.504 233 Y N 0.000 120.331 120.300 0.052 0.000 2.660 233 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 233 Y CA 0.000 nan 58.100 nan 0.000 1.940 233 Y CB 0.000 nan 38.460 nan 0.000 1.050 233 Y HN 0.000 nan 8.280 nan 0.000 0.758