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 7ahl_1_G DATA FIRST_RESID 1 DATA SEQUENCE ADSDINIKTG TTDIGSNTTV KTGDLVTYDK ENGMHKKVFY SFIDDKNHNK DATA SEQUENCE KLLVIRTKGT IAGQYRVYSE EGANKSGLAW PSAFKVQLQL PDNEVAQISD DATA SEQUENCE YYPRNSIDTK EYMSTLTYGF NGNVTGDDTG KIGGLIGANV SIGHTLKYVQ DATA SEQUENCE PDFKTILESP TDKKVGWKVI FNNMVNQNWG PYDRDSWNPV YGNQLFMKTR DATA SEQUENCE NGSMKAADNF LDPNKASSLL SSGFSPDFAT VITMDRKASK QQTNIDVIYE DATA SEQUENCE RVRDDYQLHW TSTNWKGTNT KDKWTDRSSE RYKIDWEKEE MTN 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 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.005 19.000 0.008 0.000 0.831 2 D N 1.566 121.969 120.400 0.005 0.000 2.133 2 D HA -0.266 nan 4.640 nan 0.000 0.195 2 D C 1.592 177.895 176.300 0.006 0.000 0.997 2 D CA 2.897 56.901 54.000 0.005 0.000 0.840 2 D CB -0.230 40.572 40.800 0.004 0.000 0.947 2 D HN 0.352 8.724 8.370 0.004 0.000 0.452 3 S N -3.591 112.112 115.700 0.005 0.000 2.423 3 S HA -0.223 nan 4.470 nan 0.000 0.231 3 S C 2.091 176.694 174.600 0.006 0.000 1.014 3 S CA 2.535 60.738 58.200 0.005 0.000 0.965 3 S CB -0.278 62.925 63.200 0.004 0.000 0.785 3 S HN 0.037 8.340 8.310 0.004 0.010 0.495 4 D N 2.304 122.709 120.400 0.007 0.000 2.269 4 D HA -0.091 nan 4.640 nan 0.000 0.208 4 D C 0.661 176.966 176.300 0.008 0.000 0.963 4 D CA 2.551 56.555 54.000 0.008 0.000 0.864 4 D CB 0.433 41.239 40.800 0.010 0.000 0.936 4 D HN -0.297 7.933 8.370 0.007 0.144 0.505 5 I N -6.908 113.667 120.570 0.008 0.000 3.736 5 I HA 0.223 nan 4.170 nan 0.000 0.338 5 I C -0.990 175.131 176.117 0.007 0.000 1.558 5 I CA -0.768 60.536 61.300 0.008 0.000 1.147 5 I CB -0.657 37.348 38.000 0.008 0.000 1.275 5 I HN -0.704 7.360 8.210 0.008 0.151 0.454 6 N N -2.100 116.604 118.700 0.006 0.000 2.714 6 N HA -0.462 nan 4.740 nan 0.000 0.250 6 N C -1.021 174.492 175.510 0.005 0.000 1.117 6 N CA 1.867 54.920 53.050 0.005 0.000 0.719 6 N CB -1.325 37.166 38.487 0.005 0.000 1.081 6 N HN -0.311 7.904 8.380 0.006 0.169 0.557 7 I N -1.403 119.170 120.570 0.006 0.000 2.441 7 I HA 0.079 nan 4.170 nan 0.000 0.295 7 I C -0.840 175.280 176.117 0.005 0.000 0.994 7 I CA -1.427 59.877 61.300 0.006 0.000 1.144 7 I CB 1.691 39.695 38.000 0.007 0.000 1.314 7 I HN -0.361 7.812 8.210 0.006 0.041 0.445 8 K N 5.970 126.372 120.400 0.004 0.000 2.511 8 K HA -0.138 nan 4.320 nan 0.000 0.280 8 K C 0.087 176.688 176.600 0.002 0.000 1.008 8 K CA 0.387 56.675 56.287 0.003 0.000 1.050 8 K CB 1.016 33.518 32.500 0.003 0.000 0.889 8 K HN 0.233 8.486 8.250 0.005 0.000 0.484 9 T N 6.338 120.892 114.554 0.001 0.000 2.822 9 T HA -0.265 nan 4.350 nan 0.000 0.288 9 T C 0.788 175.487 174.700 -0.002 0.000 0.991 9 T CA 1.938 64.038 62.100 -0.001 0.000 1.176 9 T CB -0.716 68.151 68.868 -0.002 0.000 0.951 9 T HN 0.227 8.468 8.240 0.001 0.000 0.526 10 G N 6.721 115.519 108.800 -0.003 0.000 2.199 10 G HA2 -0.409 nan 3.960 nan 0.000 0.254 10 G HA3 -0.409 nan 3.960 nan 0.000 0.254 10 G C 1.068 175.967 174.900 -0.001 0.000 0.982 10 G CA 0.704 45.802 45.100 -0.004 0.000 0.632 10 G HN 0.208 8.639 8.290 -0.002 -0.143 0.529 11 T N 2.769 117.324 114.554 0.002 0.000 2.897 11 T HA -0.237 nan 4.350 nan 0.000 0.271 11 T C 0.935 175.641 174.700 0.009 0.000 1.084 11 T CA 3.692 65.795 62.100 0.006 0.000 1.123 11 T CB -0.158 68.714 68.868 0.007 0.000 0.865 11 T HN -0.173 7.987 8.240 0.002 0.081 0.496 12 T N -0.397 114.161 114.554 0.008 0.000 3.054 12 T HA 0.227 nan 4.350 nan 0.000 0.255 12 T C -0.459 174.246 174.700 0.007 0.000 1.035 12 T CA -0.228 61.880 62.100 0.012 0.000 0.941 12 T CB 0.258 69.133 68.868 0.013 0.000 1.026 12 T HN -0.186 8.135 8.240 0.004 -0.078 0.533 13 D N 2.092 122.490 120.400 -0.004 0.000 2.358 13 D HA 0.098 nan 4.640 nan 0.000 0.244 13 D C 0.177 176.460 176.300 -0.029 0.000 1.163 13 D CA 0.266 54.254 54.000 -0.020 0.000 0.945 13 D CB 1.119 41.905 40.800 -0.022 0.000 1.152 13 D HN -0.526 7.726 8.370 -0.003 0.116 0.451 14 I N -1.355 119.176 120.570 -0.065 0.000 2.488 14 I HA 0.071 nan 4.170 nan 0.000 0.299 14 I C 0.519 176.599 176.117 -0.062 0.000 0.984 14 I CA 0.042 61.282 61.300 -0.100 0.000 1.250 14 I CB 0.878 38.731 38.000 -0.244 0.000 1.389 14 I HN -0.138 8.028 8.210 -0.072 0.000 0.488 15 G N 5.146 113.924 108.800 -0.037 0.000 2.255 15 G HA2 -0.247 nan 3.960 nan 0.000 0.196 15 G HA3 -0.247 nan 3.960 nan 0.000 0.196 15 G C -0.938 173.965 174.900 0.005 0.000 0.998 15 G CA -0.258 44.835 45.100 -0.012 0.000 0.656 15 G HN 0.537 9.166 8.290 -0.030 -0.357 0.490 16 S N 1.177 116.880 115.700 0.005 0.000 2.564 16 S HA -0.081 nan 4.470 nan 0.000 0.278 16 S C 0.627 175.237 174.600 0.017 0.000 1.333 16 S CA 0.263 58.469 58.200 0.010 0.000 1.048 16 S CB 0.406 63.612 63.200 0.009 0.000 0.900 16 S HN -0.242 8.069 8.310 0.001 0.000 0.505 17 N N 1.335 120.045 118.700 0.017 0.000 2.738 17 N HA -0.328 nan 4.740 nan 0.000 0.249 17 N C -1.615 173.910 175.510 0.025 0.000 1.047 17 N CA 0.866 53.928 53.050 0.019 0.000 0.707 17 N CB -0.335 38.163 38.487 0.019 0.000 0.937 17 N HN 0.539 8.928 8.380 0.014 0.000 0.545 18 T N -0.166 114.405 114.554 0.027 0.000 2.879 18 T HA 0.186 nan 4.350 nan 0.000 0.290 18 T C -0.571 174.151 174.700 0.037 0.000 0.993 18 T CA -0.298 61.824 62.100 0.036 0.000 0.975 18 T CB 2.633 71.526 68.868 0.041 0.000 0.981 18 T HN -0.305 7.949 8.240 0.024 0.000 0.439 19 T N 7.065 121.642 114.554 0.039 0.000 2.737 19 T HA 0.076 nan 4.350 nan 0.000 0.296 19 T C -0.534 174.197 174.700 0.052 0.000 0.922 19 T CA 0.343 62.466 62.100 0.038 0.000 1.079 19 T CB 0.138 69.025 68.868 0.032 0.000 0.892 19 T HN 0.234 8.497 8.240 0.039 0.000 0.514 20 V N 5.909 125.854 119.914 0.051 0.000 2.427 20 V HA 0.125 nan 4.120 nan 0.000 0.286 20 V C -0.600 175.533 176.094 0.064 0.000 1.034 20 V CA -0.906 61.434 62.300 0.068 0.000 0.893 20 V CB 0.764 32.620 31.823 0.054 0.000 0.982 20 V HN 0.382 8.597 8.190 0.041 0.000 0.452 21 K N 7.141 127.603 120.400 0.104 0.000 2.240 21 K HA 0.477 nan 4.320 nan 0.000 0.271 21 K C -0.890 175.757 176.600 0.079 0.000 1.018 21 K CA -1.530 54.815 56.287 0.097 0.000 0.874 21 K CB 0.364 32.936 32.500 0.121 0.000 1.098 21 K HN -0.038 8.306 8.250 0.156 0.000 0.458 22 T N -2.663 111.841 114.554 -0.085 0.000 2.940 22 T HA 0.734 nan 4.350 nan 0.000 0.288 22 T C -0.813 173.509 174.700 -0.630 0.000 1.045 22 T CA -2.859 59.000 62.100 -0.401 0.000 1.018 22 T CB 2.810 71.487 68.868 -0.317 0.000 1.151 22 T HN 0.257 8.466 8.240 -0.051 0.000 0.529 23 G N -1.840 106.242 108.800 -1.197 0.000 2.632 23 G HA2 0.040 nan 3.960 nan 0.000 0.292 23 G HA3 0.040 nan 3.960 nan 0.000 0.292 23 G C -3.487 171.020 174.900 -0.657 0.000 1.465 23 G CA 0.649 45.171 45.100 -0.963 0.000 0.824 23 G HN -0.278 7.135 8.290 -1.462 0.000 0.509 24 D N 1.166 121.471 120.400 -0.159 0.000 2.375 24 D HA 0.759 nan 4.640 nan 0.000 0.247 24 D C -1.132 175.219 176.300 0.084 0.000 1.061 24 D CA -0.414 53.606 54.000 0.034 0.000 0.834 24 D CB 3.074 43.922 40.800 0.080 0.000 1.247 24 D HN 0.032 8.340 8.370 -0.103 0.000 0.489 25 L N 5.367 126.655 121.223 0.109 0.000 2.372 25 L HA 0.358 nan 4.340 nan 0.000 0.273 25 L C -1.876 175.049 176.870 0.092 0.000 0.989 25 L CA -1.340 53.584 54.840 0.140 0.000 0.841 25 L CB 1.676 43.860 42.059 0.208 0.000 1.225 25 L HN 0.697 8.983 8.230 0.093 0.000 0.414 26 V N 4.975 124.930 119.914 0.070 0.000 2.417 26 V HA 0.571 nan 4.120 nan 0.000 0.291 26 V C -0.533 175.579 176.094 0.030 0.000 1.024 26 V CA -1.028 61.279 62.300 0.012 0.000 0.861 26 V CB 1.639 33.487 31.823 0.042 0.000 0.985 26 V HN 0.326 8.566 8.190 0.084 0.000 0.436 27 T N 8.368 122.909 114.554 -0.021 0.000 2.893 27 T HA 0.488 nan 4.350 nan 0.000 0.293 27 T C -2.523 172.219 174.700 0.069 0.000 1.027 27 T CA -0.701 61.408 62.100 0.015 0.000 0.988 27 T CB 3.147 71.993 68.868 -0.036 0.000 1.043 27 T HN 0.853 8.918 8.240 -0.112 0.107 0.461 28 Y N 4.493 124.799 120.300 0.010 0.000 2.332 28 Y HA 0.361 nan 4.550 nan 0.000 0.326 28 Y C -1.816 174.095 175.900 0.017 0.000 0.978 28 Y CA -2.163 55.968 58.100 0.052 0.000 1.205 28 Y CB 1.488 40.017 38.460 0.114 0.000 1.131 28 Y HN 0.198 8.575 8.280 0.162 0.000 0.462 29 D N 9.044 129.103 120.400 -0.570 0.000 2.365 29 D HA 0.118 nan 4.640 nan 0.000 0.237 29 D C -0.287 175.548 176.300 -0.775 0.000 1.190 29 D CA -1.258 52.456 54.000 -0.475 0.000 0.867 29 D CB 1.338 41.979 40.800 -0.265 0.000 1.050 29 D HN 0.043 8.147 8.370 -0.443 0.000 0.491 30 K N 6.067 126.116 120.400 -0.586 0.000 2.155 30 K HA -0.187 nan 4.320 nan 0.000 0.203 30 K C 1.764 178.260 176.600 -0.173 0.000 1.052 30 K CA 2.190 58.259 56.287 -0.363 0.000 0.948 30 K CB -0.565 31.910 32.500 -0.042 0.000 0.728 30 K HN 0.500 8.529 8.250 -0.369 0.000 0.448 31 E N -1.928 118.185 120.200 -0.144 0.000 2.077 31 E HA -0.201 nan 4.350 nan 0.000 0.193 31 E C 0.877 177.426 176.600 -0.085 0.000 0.989 31 E CA 2.168 58.516 56.400 -0.086 0.000 0.800 31 E CB 0.309 29.967 29.700 -0.070 0.000 0.746 31 E HN -0.235 8.110 8.360 -0.163 -0.083 0.452 32 N N -3.914 114.718 118.700 -0.113 0.000 2.203 32 N HA 0.125 nan 4.740 nan 0.000 0.207 32 N C -0.278 175.205 175.510 -0.045 0.000 1.130 32 N CA -0.368 52.642 53.050 -0.067 0.000 0.861 32 N CB 1.648 40.114 38.487 -0.036 0.000 1.005 32 N HN -0.253 8.334 8.380 -0.164 -0.306 0.507 33 G N 0.155 108.898 108.800 -0.095 0.000 2.350 33 G HA2 -0.506 nan 3.960 nan 0.000 0.298 33 G HA3 -0.506 nan 3.960 nan 0.000 0.298 33 G C -2.077 172.883 174.900 0.101 0.000 1.037 33 G CA 0.876 45.991 45.100 0.025 0.000 1.074 33 G HN -0.184 7.882 8.290 -0.174 0.119 0.511 34 M N -0.753 118.835 119.600 -0.020 0.000 2.151 34 M HA 0.302 nan 4.480 nan 0.000 0.290 34 M C -2.020 174.410 176.300 0.217 0.000 0.965 34 M CA -0.685 54.693 55.300 0.130 0.000 0.930 34 M CB 3.466 36.121 32.600 0.092 0.000 1.560 34 M HN -0.214 7.882 8.290 -0.325 0.000 0.438 35 H N 5.653 124.885 119.070 0.269 0.000 2.705 35 H HA 0.284 nan 4.556 nan 0.000 0.291 35 H C -1.433 173.962 175.328 0.112 0.000 1.085 35 H CA -0.879 55.326 56.048 0.263 0.000 1.357 35 H CB 1.607 31.467 29.762 0.163 0.000 1.419 35 H HN 0.610 9.134 8.280 0.407 0.000 0.462 36 K N 8.242 128.471 120.400 -0.285 0.000 2.339 36 K HA 0.312 nan 4.320 nan 0.000 0.264 36 K C -2.026 174.369 176.600 -0.342 0.000 0.986 36 K CA -1.491 54.562 56.287 -0.390 0.000 0.866 36 K CB 1.579 33.722 32.500 -0.594 0.000 1.103 36 K HN 0.935 9.069 8.250 -0.192 0.000 0.441 37 K N 4.439 124.718 120.400 -0.202 0.000 2.397 37 K HA 0.621 nan 4.320 nan 0.000 0.253 37 K C -2.266 174.337 176.600 0.005 0.000 0.932 37 K CA -1.418 54.798 56.287 -0.119 0.000 0.795 37 K CB 2.998 35.423 32.500 -0.125 0.000 1.159 37 K HN -0.230 7.974 8.250 -0.076 0.000 0.424 38 V N 6.708 126.631 119.914 0.016 0.000 2.378 38 V HA 0.587 nan 4.120 nan 0.000 0.288 38 V C -1.959 174.186 176.094 0.086 0.000 1.016 38 V CA -0.956 61.350 62.300 0.011 0.000 0.840 38 V CB 1.718 33.427 31.823 -0.190 0.000 0.994 38 V HN 0.692 8.891 8.190 0.015 0.000 0.431 39 F N 10.710 130.630 119.950 -0.050 0.000 2.388 39 F HA 0.761 nan 4.527 nan 0.000 0.358 39 F C -2.498 173.273 175.800 -0.049 0.000 1.122 39 F CA -2.622 55.325 58.000 -0.088 0.000 1.056 39 F CB 2.711 41.652 39.000 -0.097 0.000 1.155 39 F HN 0.768 9.181 8.300 0.188 0.000 0.461 40 Y N 4.203 124.081 120.300 -0.703 0.000 2.587 40 Y HA 0.802 nan 4.550 nan 0.000 0.337 40 Y C -2.174 173.269 175.900 -0.761 0.000 1.065 40 Y CA -3.253 54.474 58.100 -0.622 0.000 1.126 40 Y CB 3.054 41.244 38.460 -0.449 0.000 1.279 40 Y HN 0.752 8.449 8.280 -0.972 0.000 0.489 41 S N -1.480 114.026 115.700 -0.322 0.000 2.649 41 S HA 0.369 nan 4.470 nan 0.000 0.274 41 S C -1.869 172.627 174.600 -0.173 0.000 1.176 41 S CA -0.117 57.944 58.200 -0.231 0.000 0.988 41 S CB 2.692 65.765 63.200 -0.211 0.000 1.071 41 S HN 0.206 8.347 8.310 -0.281 0.000 0.478 42 F N 4.899 124.873 119.950 0.040 0.000 2.410 42 F HA 0.486 nan 4.527 nan 0.000 0.349 42 F C -1.103 174.735 175.800 0.064 0.000 1.117 42 F CA -0.099 57.937 58.000 0.061 0.000 1.104 42 F CB 1.738 40.773 39.000 0.058 0.000 1.122 42 F HN 0.714 9.217 8.300 0.339 0.000 0.483 43 I N 4.973 125.684 120.570 0.236 0.000 2.411 43 I HA 0.169 nan 4.170 nan 0.000 0.284 43 I C -1.952 174.275 176.117 0.182 0.000 1.012 43 I CA -0.688 60.706 61.300 0.157 0.000 1.119 43 I CB 2.250 40.292 38.000 0.071 0.000 1.261 43 I HN 0.774 9.011 8.210 0.233 0.113 0.448 44 D N 7.903 128.400 120.400 0.162 0.000 2.514 44 D HA 0.049 nan 4.640 nan 0.000 0.267 44 D C -1.607 174.758 176.300 0.108 0.000 1.165 44 D CA -2.201 51.889 54.000 0.150 0.000 0.958 44 D CB 0.076 40.958 40.800 0.138 0.000 0.992 44 D HN 0.279 8.734 8.370 0.142 0.000 0.506 45 D N 3.201 123.665 120.400 0.108 0.000 2.336 45 D HA -0.038 nan 4.640 nan 0.000 0.249 45 D C 0.632 176.997 176.300 0.109 0.000 1.213 45 D CA -0.627 53.428 54.000 0.091 0.000 0.870 45 D CB 0.946 41.789 40.800 0.072 0.000 1.076 45 D HN -0.429 8.013 8.370 0.120 0.000 0.483 46 K N 5.046 125.493 120.400 0.077 0.000 2.362 46 K HA -0.174 nan 4.320 nan 0.000 0.200 46 K C 1.147 177.783 176.600 0.060 0.000 1.046 46 K CA 1.162 57.486 56.287 0.062 0.000 0.952 46 K CB -0.473 32.053 32.500 0.043 0.000 0.753 46 K HN 0.509 8.797 8.250 0.065 0.000 0.466 47 N N -2.771 115.973 118.700 0.073 0.000 2.398 47 N HA -0.008 nan 4.740 nan 0.000 0.188 47 N C -0.594 174.978 175.510 0.102 0.000 1.122 47 N CA 0.469 53.559 53.050 0.067 0.000 0.866 47 N CB 0.805 39.326 38.487 0.057 0.000 0.970 47 N HN -0.583 8.063 8.380 0.077 -0.219 0.462 48 H N 1.395 120.473 119.070 0.013 0.000 2.479 48 H HA 0.165 nan 4.556 nan 0.000 0.335 48 H C 0.478 175.808 175.328 0.004 0.000 1.142 48 H CA -0.321 55.733 56.048 0.010 0.000 1.234 48 H CB 2.928 32.700 29.762 0.018 0.000 1.503 48 H HN -0.468 7.730 8.280 0.181 0.191 0.510 49 N N 4.130 122.533 118.700 -0.496 0.000 2.571 49 N HA -0.171 nan 4.740 nan 0.000 0.189 49 N C -0.633 174.751 175.510 -0.210 0.000 1.154 49 N CA 1.309 54.179 53.050 -0.300 0.000 0.907 49 N CB -0.041 38.276 38.487 -0.284 0.000 0.977 49 N HN 0.458 8.305 8.380 -0.889 0.000 0.449 50 K N -2.381 117.928 120.400 -0.151 0.000 2.579 50 K HA 0.093 nan 4.320 nan 0.000 0.284 50 K C -1.744 174.938 176.600 0.137 0.000 0.990 50 K CA -0.804 55.473 56.287 -0.018 0.000 0.880 50 K CB 3.787 36.256 32.500 -0.051 0.000 1.488 50 K HN -0.764 7.299 8.250 -0.199 0.067 0.425 51 K N 0.515 120.948 120.400 0.055 0.000 2.202 51 K HA 0.172 nan 4.320 nan 0.000 0.264 51 K C -0.958 175.773 176.600 0.219 0.000 1.010 51 K CA 0.321 56.705 56.287 0.162 0.000 0.940 51 K CB 1.254 33.857 32.500 0.172 0.000 0.983 51 K HN -0.045 8.171 8.250 -0.057 0.000 0.475 52 L N -0.643 120.770 121.223 0.317 0.000 2.370 52 L HA 0.847 nan 4.340 nan 0.000 0.266 52 L C -1.944 175.092 176.870 0.276 0.000 1.002 52 L CA -1.404 53.600 54.840 0.273 0.000 0.818 52 L CB 3.698 45.826 42.059 0.115 0.000 1.325 52 L HN 0.248 8.669 8.230 0.318 0.000 0.418 53 L N 3.425 124.739 121.223 0.153 0.000 2.409 53 L HA 0.676 nan 4.340 nan 0.000 0.272 53 L C -2.531 174.254 176.870 -0.143 0.000 0.980 53 L CA -0.909 53.768 54.840 -0.271 0.000 0.826 53 L CB 3.388 45.078 42.059 -0.614 0.000 1.268 53 L HN 0.274 8.645 8.230 0.235 0.000 0.407 54 V N 8.139 127.951 119.914 -0.170 0.000 2.357 54 V HA 0.595 nan 4.120 nan 0.000 0.284 54 V C -1.065 174.977 176.094 -0.087 0.000 1.018 54 V CA -1.336 60.926 62.300 -0.063 0.000 0.841 54 V CB 0.677 32.488 31.823 -0.021 0.000 0.991 54 V HN 0.856 8.792 8.190 -0.243 0.109 0.437 55 I N 7.985 128.542 120.570 -0.020 0.000 2.392 55 I HA 0.528 nan 4.170 nan 0.000 0.295 55 I C -1.421 174.744 176.117 0.079 0.000 0.985 55 I CA -0.857 60.438 61.300 -0.008 0.000 1.221 55 I CB 2.407 40.399 38.000 -0.013 0.000 1.366 55 I HN 0.726 8.953 8.210 0.029 0.000 0.467 56 R N 5.388 125.949 120.500 0.101 0.000 2.435 56 R HA 0.565 nan 4.340 nan 0.000 0.308 56 R C -1.245 175.112 176.300 0.094 0.000 0.975 56 R CA -1.461 54.712 56.100 0.122 0.000 0.867 56 R CB 2.250 32.665 30.300 0.192 0.000 1.171 56 R HN 0.882 9.102 8.270 0.082 0.099 0.470 57 T N 4.484 119.082 114.554 0.073 0.000 2.727 57 T HA 0.543 nan 4.350 nan 0.000 0.298 57 T C -0.385 174.298 174.700 -0.028 0.000 0.942 57 T CA -1.106 61.062 62.100 0.115 0.000 0.997 57 T CB -0.492 68.512 68.868 0.227 0.000 0.917 57 T HN 0.037 8.319 8.240 0.070 0.000 0.487 58 K N 6.452 126.855 120.400 0.005 0.000 1.950 58 K HA 0.584 nan 4.320 nan 0.000 0.259 58 K C 0.266 176.860 176.600 -0.011 0.000 1.013 58 K CA -1.403 54.816 56.287 -0.114 0.000 1.147 58 K CB 2.475 34.902 32.500 -0.123 0.000 2.115 58 K HN 0.657 8.947 8.250 0.068 0.000 0.877 59 G N -1.258 107.515 108.800 -0.045 0.000 2.587 59 G HA2 -0.291 nan 3.960 nan 0.000 0.212 59 G HA3 -0.291 nan 3.960 nan 0.000 0.212 59 G C -1.568 173.348 174.900 0.027 0.000 1.327 59 G CA -0.568 44.558 45.100 0.044 0.000 0.898 59 G HN 0.111 8.350 8.290 -0.085 0.000 0.551 60 T N -0.171 114.462 114.554 0.132 0.000 3.172 60 T HA 0.267 nan 4.350 nan 0.000 0.320 60 T C -0.969 173.816 174.700 0.142 0.000 1.085 60 T CA -0.510 61.606 62.100 0.028 0.000 1.052 60 T CB 2.131 70.965 68.868 -0.057 0.000 1.107 60 T HN 0.187 8.471 8.240 0.246 0.103 0.458 61 I N 7.903 128.547 120.570 0.124 0.000 2.322 61 I HA 0.388 nan 4.170 nan 0.000 0.292 61 I C -0.911 175.338 176.117 0.220 0.000 1.060 61 I CA -0.759 60.691 61.300 0.250 0.000 1.309 61 I CB 0.220 38.459 38.000 0.399 0.000 1.415 61 I HN 0.448 8.662 8.210 0.008 0.000 0.492 62 A N 8.526 131.477 122.820 0.219 0.000 2.520 62 A HA -0.046 nan 4.320 nan 0.000 0.235 62 A C 0.649 178.402 177.584 0.282 0.000 1.065 62 A CA 0.787 52.940 52.037 0.194 0.000 0.764 62 A CB 0.324 19.423 19.000 0.165 0.000 1.002 62 A HN 0.309 8.592 8.150 0.223 0.000 0.502 63 G N -0.319 108.639 108.800 0.264 0.000 2.424 63 G HA2 -0.213 nan 3.960 nan 0.000 0.214 63 G HA3 -0.213 nan 3.960 nan 0.000 0.214 63 G C 0.032 175.077 174.900 0.241 0.000 1.202 63 G CA 0.790 46.103 45.100 0.354 0.000 0.793 63 G HN 0.112 8.458 8.290 0.187 0.056 0.534 64 Q N -4.970 114.934 119.800 0.174 0.000 2.493 64 Q HA -0.515 nan 4.340 nan 0.000 0.260 64 Q C -0.637 175.427 176.000 0.107 0.000 0.905 64 Q CA 0.287 56.151 55.803 0.102 0.000 1.140 64 Q CB -2.046 26.712 28.738 0.033 0.000 1.435 64 Q HN -0.473 7.897 8.270 0.167 0.000 0.581 65 Y N 1.164 121.476 120.300 0.020 0.000 2.828 65 Y HA -0.376 nan 4.550 nan 0.000 0.359 65 Y C -1.641 174.219 175.900 -0.066 0.000 1.258 65 Y CA 1.710 59.796 58.100 -0.022 0.000 1.652 65 Y CB -0.657 37.774 38.460 -0.049 0.000 1.232 65 Y HN -0.651 7.768 8.280 0.304 0.043 0.513 66 R N 6.227 126.631 120.500 -0.160 0.000 2.604 66 R HA 0.348 nan 4.340 nan 0.000 0.281 66 R C -2.636 173.551 176.300 -0.188 0.000 1.020 66 R CA -1.751 54.271 56.100 -0.130 0.000 0.899 66 R CB 4.008 34.282 30.300 -0.042 0.000 1.205 66 R HN 0.358 8.509 8.270 -0.198 0.000 0.450 67 V N 4.767 124.560 119.914 -0.202 0.000 2.439 67 V HA 0.310 nan 4.120 nan 0.000 0.271 67 V C -0.682 175.393 176.094 -0.033 0.000 1.040 67 V CA -0.133 62.037 62.300 -0.218 0.000 1.002 67 V CB -0.474 31.200 31.823 -0.248 0.000 1.000 67 V HN 0.525 8.623 8.190 -0.152 0.000 0.477 68 Y N 5.695 125.930 120.300 -0.108 0.000 2.558 68 Y HA 0.366 nan 4.550 nan 0.000 0.273 68 Y C -0.635 175.274 175.900 0.014 0.000 1.100 68 Y CA -1.032 57.032 58.100 -0.059 0.000 1.276 68 Y CB 0.897 39.291 38.460 -0.109 0.000 1.196 68 Y HN 0.138 8.476 8.280 0.096 0.000 0.527 69 S N 1.833 116.979 115.700 -0.922 0.000 2.537 69 S HA 0.062 nan 4.470 nan 0.000 0.301 69 S C -0.901 173.575 174.600 -0.206 0.000 1.092 69 S CA -0.737 57.153 58.200 -0.518 0.000 1.048 69 S CB 2.468 65.302 63.200 -0.610 0.000 1.053 69 S HN -0.696 6.809 8.310 -1.341 0.000 0.501 70 E N 3.985 124.137 120.200 -0.080 0.000 2.649 70 E HA 0.097 nan 4.350 nan 0.000 0.310 70 E C -1.250 175.360 176.600 0.017 0.000 1.036 70 E CA 0.100 56.500 56.400 -0.001 0.000 0.772 70 E CB 1.313 31.023 29.700 0.017 0.000 1.513 70 E HN 0.480 8.796 8.360 -0.074 0.000 0.384 71 E N 7.510 127.729 120.200 0.032 0.000 2.127 71 E HA 0.107 nan 4.350 nan 0.000 0.262 71 E C -0.378 176.254 176.600 0.054 0.000 1.144 71 E CA -1.023 55.401 56.400 0.040 0.000 1.144 71 E CB -1.062 28.664 29.700 0.043 0.000 1.297 71 E HN -0.091 8.292 8.360 0.039 0.000 0.469 72 G N 2.682 111.510 108.800 0.048 0.000 2.660 72 G HA2 -0.252 nan 3.960 nan 0.000 0.215 72 G HA3 -0.252 nan 3.960 nan 0.000 0.215 72 G C -0.665 174.273 174.900 0.064 0.000 1.345 72 G CA -0.437 44.694 45.100 0.051 0.000 0.877 72 G HN -0.598 7.674 8.290 0.039 0.041 0.549 73 A N -0.250 122.607 122.820 0.062 0.000 2.218 73 A HA 0.097 nan 4.320 nan 0.000 0.209 73 A C 0.600 178.264 177.584 0.133 0.000 1.168 73 A CA 1.351 53.430 52.037 0.069 0.000 0.804 73 A CB 0.291 19.304 19.000 0.023 0.000 0.834 73 A HN 0.492 8.672 8.150 0.051 0.000 0.482 74 N N -3.739 115.057 118.700 0.160 0.000 2.220 74 N HA 0.017 nan 4.740 nan 0.000 0.195 74 N C -1.475 174.244 175.510 0.349 0.000 1.123 74 N CA 0.537 53.745 53.050 0.262 0.000 0.874 74 N CB 1.545 40.166 38.487 0.222 0.000 0.995 74 N HN 0.253 8.663 8.380 0.126 0.046 0.498 75 K N -1.205 119.342 120.400 0.245 0.000 2.468 75 K HA 0.422 nan 4.320 nan 0.000 0.252 75 K C -2.275 174.422 176.600 0.161 0.000 0.932 75 K CA -1.048 55.375 56.287 0.226 0.000 0.794 75 K CB 2.945 35.546 32.500 0.168 0.000 1.241 75 K HN -0.807 7.554 8.250 0.185 0.000 0.428 76 S N 2.861 118.667 115.700 0.177 0.000 2.543 76 S HA 0.349 nan 4.470 nan 0.000 0.274 76 S C -2.216 172.552 174.600 0.280 0.000 1.149 76 S CA -0.533 57.779 58.200 0.188 0.000 0.866 76 S CB 3.150 66.496 63.200 0.244 0.000 1.111 76 S HN 0.089 8.525 8.310 0.211 0.000 0.457 77 G N 1.053 109.884 108.800 0.052 0.000 2.448 77 G HA2 0.780 nan 3.960 nan 0.000 0.324 77 G HA3 0.780 nan 3.960 nan 0.000 0.324 77 G C -3.257 171.569 174.900 -0.123 0.000 1.203 77 G CA -1.418 43.679 45.100 -0.006 0.000 0.954 77 G HN 0.426 8.517 8.290 -0.117 0.128 0.480 78 L N 1.608 122.869 121.223 0.063 0.000 2.356 78 L HA 0.724 nan 4.340 nan 0.000 0.277 78 L C -2.619 174.403 176.870 0.253 0.000 0.996 78 L CA -1.379 53.368 54.840 -0.155 0.000 0.822 78 L CB 3.804 45.454 42.059 -0.682 0.000 1.256 78 L HN 0.527 8.829 8.230 0.297 0.106 0.413 79 A N 6.694 129.573 122.820 0.099 0.000 2.252 79 A HA 0.789 nan 4.320 nan 0.000 0.309 79 A C -2.007 175.542 177.584 -0.058 0.000 1.285 79 A CA -1.369 50.630 52.037 -0.064 0.000 0.900 79 A CB 1.159 19.811 19.000 -0.580 0.000 1.157 79 A HN 1.067 9.149 8.150 0.052 0.099 0.536 80 W N 0.465 121.696 121.300 -0.115 0.000 2.950 80 W HA 0.644 nan 4.660 nan 0.000 0.340 80 W C -3.287 173.234 176.519 0.004 0.000 1.139 80 W CA -3.680 53.606 57.345 -0.098 0.000 1.188 80 W CB 1.511 30.850 29.460 -0.201 0.000 1.426 80 W HN 0.486 8.551 8.180 -0.193 0.000 0.531 81 P HA 0.240 nan 4.420 nan 0.000 0.281 81 P C -1.386 175.851 177.300 -0.106 0.000 1.286 81 P CA -0.366 62.639 63.100 -0.157 0.000 0.772 81 P CB 0.213 31.788 31.700 -0.208 0.000 0.862 82 S N 4.581 120.057 115.700 -0.374 0.000 2.503 82 S HA 0.042 nan 4.470 nan 0.000 0.217 82 S C -0.955 173.697 174.600 0.087 0.000 0.999 82 S CA 0.515 58.629 58.200 -0.144 0.000 0.914 82 S CB 0.970 63.952 63.200 -0.364 0.000 0.782 82 S HN 0.640 8.674 8.310 -0.460 0.000 0.520 83 A N -0.491 122.242 122.820 -0.144 0.000 2.589 83 A HA 0.676 nan 4.320 nan 0.000 0.296 83 A C -2.811 174.583 177.584 -0.315 0.000 1.062 83 A CA 0.446 52.433 52.037 -0.082 0.000 0.686 83 A CB 2.635 21.640 19.000 0.008 0.000 1.282 83 A HN -0.706 7.259 8.150 -0.308 0.000 0.404 84 F N -0.495 119.486 119.950 0.051 0.000 2.529 84 F HA 0.698 nan 4.527 nan 0.000 0.320 84 F C -1.556 174.286 175.800 0.070 0.000 1.118 84 F CA -1.217 56.811 58.000 0.048 0.000 0.915 84 F CB 4.070 43.051 39.000 -0.031 0.000 1.161 84 F HN 0.260 8.669 8.300 0.182 0.000 0.445 85 K N 0.667 121.229 120.400 0.269 0.000 2.469 85 K HA 0.823 nan 4.320 nan 0.000 0.254 85 K C -1.891 174.826 176.600 0.193 0.000 0.939 85 K CA -1.126 55.289 56.287 0.213 0.000 0.812 85 K CB 4.248 36.831 32.500 0.139 0.000 1.301 85 K HN 0.651 9.066 8.250 0.275 0.000 0.433 86 V N 2.027 122.078 119.914 0.228 0.000 2.577 86 V HA 0.598 nan 4.120 nan 0.000 0.303 86 V C -1.738 174.523 176.094 0.278 0.000 1.042 86 V CA -0.730 61.692 62.300 0.203 0.000 0.872 86 V CB 2.457 34.425 31.823 0.242 0.000 0.998 86 V HN 0.174 8.522 8.190 0.263 0.000 0.423 87 Q N 4.291 124.238 119.800 0.246 0.000 2.359 87 Q HA 0.934 nan 4.340 nan 0.000 0.274 87 Q C -1.902 174.223 176.000 0.210 0.000 1.074 87 Q CA -1.600 54.312 55.803 0.181 0.000 0.810 87 Q CB 4.379 33.182 28.738 0.108 0.000 1.342 87 Q HN 0.385 8.815 8.270 0.266 0.000 0.427 88 L N 2.017 123.341 121.223 0.169 0.000 2.362 88 L HA 0.598 nan 4.340 nan 0.000 0.275 88 L C -1.974 174.963 176.870 0.112 0.000 0.998 88 L CA -0.209 54.734 54.840 0.172 0.000 0.820 88 L CB 2.301 44.480 42.059 0.200 0.000 1.270 88 L HN 0.764 9.062 8.230 0.113 0.000 0.415 89 Q N 1.344 121.212 119.800 0.113 0.000 2.321 89 Q HA 0.710 nan 4.340 nan 0.000 0.270 89 Q C -1.417 174.637 176.000 0.090 0.000 1.032 89 Q CA -1.279 54.574 55.803 0.084 0.000 0.784 89 Q CB 3.481 32.261 28.738 0.071 0.000 1.264 89 Q HN 0.767 9.117 8.270 0.135 0.000 0.448 90 L N 5.485 126.758 121.223 0.083 0.000 2.322 90 L HA 0.318 nan 4.340 nan 0.000 0.279 90 L C -2.249 174.663 176.870 0.070 0.000 1.036 90 L CA -2.682 52.212 54.840 0.090 0.000 0.807 90 L CB -0.194 41.927 42.059 0.103 0.000 1.226 90 L HN 0.363 8.637 8.230 0.074 0.000 0.433 91 P HA 0.092 nan 4.420 nan 0.000 0.274 91 P C -0.622 176.707 177.300 0.048 0.000 1.237 91 P CA -0.812 62.320 63.100 0.053 0.000 0.793 91 P CB 0.846 32.578 31.700 0.052 0.000 0.977 92 D N -0.048 120.374 120.400 0.036 0.000 2.219 92 D HA -0.220 nan 4.640 nan 0.000 0.205 92 D C 0.241 176.559 176.300 0.029 0.000 0.970 92 D CA 2.656 56.674 54.000 0.029 0.000 0.851 92 D CB -0.234 40.579 40.800 0.021 0.000 0.943 92 D HN 0.279 8.668 8.370 0.032 0.000 0.488 93 N N -1.860 116.858 118.700 0.031 0.000 2.410 93 N HA -0.126 nan 4.740 nan 0.000 0.231 93 N C -1.152 174.382 175.510 0.039 0.000 1.172 93 N CA 0.035 53.103 53.050 0.030 0.000 0.849 93 N CB -0.688 37.815 38.487 0.026 0.000 1.116 93 N HN -0.210 8.170 8.380 0.033 0.020 0.485 94 E N -1.379 118.849 120.200 0.047 0.000 2.207 94 E HA 0.201 nan 4.350 nan 0.000 0.270 94 E C -1.656 174.970 176.600 0.043 0.000 0.927 94 E CA -0.756 55.682 56.400 0.062 0.000 0.799 94 E CB 2.806 32.561 29.700 0.091 0.000 1.172 94 E HN -0.679 7.588 8.360 0.044 0.120 0.404 95 V N 0.568 120.500 119.914 0.031 0.000 3.621 95 V HA 0.106 nan 4.120 nan 0.000 0.285 95 V C -1.207 174.873 176.094 -0.023 0.000 1.346 95 V CA -0.303 61.994 62.300 -0.004 0.000 1.104 95 V CB 0.301 32.107 31.823 -0.028 0.000 0.913 95 V HN 0.445 8.660 8.190 0.042 0.000 0.432 96 A N -0.467 122.364 122.820 0.018 0.000 2.322 96 A HA 0.281 nan 4.320 nan 0.000 0.269 96 A C -1.698 175.923 177.584 0.062 0.000 1.094 96 A CA -0.718 51.335 52.037 0.026 0.000 0.807 96 A CB 1.099 20.225 19.000 0.210 0.000 1.047 96 A HN -0.539 7.593 8.150 0.065 0.057 0.487 97 Q N -1.574 118.261 119.800 0.058 0.000 2.423 97 Q HA 0.619 nan 4.340 nan 0.000 0.278 97 Q C -1.087 174.973 176.000 0.101 0.000 1.097 97 Q CA -2.202 53.642 55.803 0.069 0.000 0.809 97 Q CB 5.179 33.939 28.738 0.037 0.000 1.391 97 Q HN 0.135 8.428 8.270 0.038 0.000 0.428 98 I N 2.607 123.243 120.570 0.109 0.000 2.363 98 I HA -0.183 nan 4.170 nan 0.000 0.292 98 I C -0.977 175.212 176.117 0.121 0.000 1.075 98 I CA 0.705 62.090 61.300 0.142 0.000 1.333 98 I CB -0.399 37.702 38.000 0.168 0.000 1.415 98 I HN 0.448 8.591 8.210 0.096 0.125 0.502 99 S N 7.613 123.361 115.700 0.079 0.000 2.412 99 S HA 0.065 nan 4.470 nan 0.000 0.223 99 S C -0.680 173.843 174.600 -0.128 0.000 1.048 99 S CA 1.729 59.937 58.200 0.014 0.000 0.954 99 S CB 1.771 64.990 63.200 0.033 0.000 0.840 99 S HN 0.347 8.714 8.310 0.096 0.000 0.503 100 D N -2.995 117.289 120.400 -0.193 0.000 2.610 100 D HA 0.310 nan 4.640 nan 0.000 0.271 100 D C -2.112 173.931 176.300 -0.428 0.000 1.174 100 D CA -0.628 53.057 54.000 -0.525 0.000 0.949 100 D CB 3.383 44.043 40.800 -0.233 0.000 1.430 100 D HN -0.751 7.590 8.370 -0.048 0.000 0.467 101 Y N -5.964 114.462 120.300 0.210 0.000 2.620 101 Y HA 0.563 nan 4.550 nan 0.000 0.331 101 Y C -2.612 173.547 175.900 0.432 0.000 1.173 101 Y CA -1.346 56.961 58.100 0.345 0.000 1.076 101 Y CB 1.893 40.502 38.460 0.248 0.000 1.336 101 Y HN -0.010 7.867 8.280 -0.671 0.000 0.459 102 Y N 0.074 120.726 120.300 0.588 0.000 2.482 102 Y HA 0.442 nan 4.550 nan 0.000 0.334 102 Y C -3.073 173.022 175.900 0.325 0.000 1.091 102 Y CA -2.546 55.797 58.100 0.405 0.000 1.027 102 Y CB 4.040 42.625 38.460 0.208 0.000 1.306 102 Y HN 0.755 9.422 8.280 0.798 0.092 0.446 103 P HA 0.439 nan 4.420 nan 0.000 0.276 103 P C -1.219 176.033 177.300 -0.079 0.000 1.261 103 P CA -0.414 62.170 63.100 -0.859 0.000 0.800 103 P CB 1.609 33.010 31.700 -0.499 0.000 1.066 104 R N -1.334 119.084 120.500 -0.135 0.000 3.084 104 R HA 0.241 nan 4.340 nan 0.000 0.234 104 R C -1.089 175.214 176.300 0.005 0.000 1.433 104 R CA -1.210 54.908 56.100 0.030 0.000 1.053 104 R CB 1.908 32.272 30.300 0.107 0.000 1.449 104 R HN 0.201 8.289 8.270 -0.304 0.000 0.505 105 N N 0.324 119.028 118.700 0.006 0.000 2.514 105 N HA 0.136 nan 4.740 nan 0.000 0.277 105 N C -0.362 175.162 175.510 0.023 0.000 1.126 105 N CA 0.178 53.231 53.050 0.006 0.000 0.978 105 N CB 0.571 39.049 38.487 -0.014 0.000 1.106 105 N HN 0.080 8.463 8.380 0.004 0.000 0.461 106 S N 0.361 116.076 115.700 0.026 0.000 2.593 106 S HA 0.131 nan 4.470 nan 0.000 0.297 106 S C -0.135 174.480 174.600 0.025 0.000 1.112 106 S CA -0.701 57.520 58.200 0.034 0.000 1.043 106 S CB 1.832 65.058 63.200 0.044 0.000 1.054 106 S HN 0.029 8.354 8.310 0.024 0.000 0.516 107 I N 2.849 123.434 120.570 0.026 0.000 2.322 107 I HA -0.001 nan 4.170 nan 0.000 0.292 107 I C -0.333 175.796 176.117 0.019 0.000 1.060 107 I CA 0.141 61.452 61.300 0.017 0.000 1.309 107 I CB 0.299 38.310 38.000 0.017 0.000 1.415 107 I HN 0.208 8.438 8.210 0.033 0.000 0.492 108 D N 6.958 127.365 120.400 0.011 0.000 2.368 108 D HA 0.052 nan 4.640 nan 0.000 0.240 108 D C -0.784 175.524 176.300 0.013 0.000 1.169 108 D CA 0.565 54.574 54.000 0.014 0.000 0.906 108 D CB 1.065 41.865 40.800 0.000 0.000 1.187 108 D HN 0.347 8.719 8.370 0.003 0.000 0.435 109 T N -4.092 110.479 114.554 0.029 0.000 2.901 109 T HA 0.344 nan 4.350 nan 0.000 0.293 109 T C -1.825 172.912 174.700 0.062 0.000 1.084 109 T CA -1.202 60.920 62.100 0.035 0.000 1.008 109 T CB 2.518 71.413 68.868 0.045 0.000 1.170 109 T HN 0.009 8.275 8.240 0.043 0.000 0.509 110 K N -1.109 119.334 120.400 0.071 0.000 2.498 110 K HA 0.524 nan 4.320 nan 0.000 0.254 110 K C -1.603 175.081 176.600 0.141 0.000 0.933 110 K CA -1.001 55.365 56.287 0.130 0.000 0.806 110 K CB 2.496 35.052 32.500 0.094 0.000 1.301 110 K HN -0.064 8.218 8.250 0.054 0.000 0.432 111 E N 3.312 123.612 120.200 0.166 0.000 2.231 111 E HA 0.207 nan 4.350 nan 0.000 0.277 111 E C -1.951 174.776 176.600 0.212 0.000 0.999 111 E CA -0.812 55.679 56.400 0.151 0.000 0.827 111 E CB 2.936 32.696 29.700 0.100 0.000 1.101 111 E HN 0.411 8.884 8.360 0.187 0.000 0.393 112 Y N 3.936 124.270 120.300 0.057 0.000 2.477 112 Y HA 0.582 nan 4.550 nan 0.000 0.347 112 Y C -1.624 174.317 175.900 0.069 0.000 0.981 112 Y CA -0.923 57.214 58.100 0.063 0.000 1.033 112 Y CB 2.898 41.385 38.460 0.044 0.000 1.245 112 Y HN 0.152 8.576 8.280 0.240 0.000 0.455 113 M N 6.015 125.338 119.600 -0.461 0.000 2.518 113 M HA 0.300 nan 4.480 nan 0.000 0.300 113 M C -1.641 174.492 176.300 -0.278 0.000 1.175 113 M CA -0.401 54.759 55.300 -0.233 0.000 0.890 113 M CB 4.576 37.093 32.600 -0.139 0.000 1.710 113 M HN 0.444 8.239 8.290 -0.825 0.000 0.453 114 S N 1.150 116.823 115.700 -0.044 0.000 2.614 114 S HA 0.461 nan 4.470 nan 0.000 0.288 114 S C -1.177 173.378 174.600 -0.074 0.000 1.137 114 S CA -0.535 57.665 58.200 0.001 0.000 0.992 114 S CB 2.453 65.805 63.200 0.255 0.000 1.026 114 S HN 0.215 8.524 8.310 -0.002 0.000 0.486 115 T N 7.576 122.024 114.554 -0.177 0.000 2.840 115 T HA 0.399 nan 4.350 nan 0.000 0.287 115 T C -2.028 172.603 174.700 -0.114 0.000 0.991 115 T CA -0.501 61.528 62.100 -0.117 0.000 0.964 115 T CB 2.004 70.803 68.868 -0.115 0.000 0.954 115 T HN 0.723 8.667 8.240 -0.323 0.102 0.438 116 L N 7.088 128.282 121.223 -0.049 0.000 2.343 116 L HA 0.839 nan 4.340 nan 0.000 0.278 116 L C -1.444 175.433 176.870 0.012 0.000 0.996 116 L CA -0.457 54.380 54.840 -0.004 0.000 0.831 116 L CB 1.558 43.645 42.059 0.046 0.000 1.232 116 L HN 0.389 8.600 8.230 -0.031 0.000 0.413 117 T N 6.473 121.025 114.554 -0.003 0.000 2.900 117 T HA 0.520 nan 4.350 nan 0.000 0.295 117 T C -2.502 172.182 174.700 -0.028 0.000 1.044 117 T CA -0.958 61.085 62.100 -0.095 0.000 0.995 117 T CB 2.657 71.438 68.868 -0.146 0.000 1.072 117 T HN 0.656 8.894 8.240 -0.003 0.000 0.473 118 Y N -0.867 119.342 120.300 -0.152 0.000 2.571 118 Y HA 0.744 nan 4.550 nan 0.000 0.341 118 Y C -1.851 173.824 175.900 -0.376 0.000 1.076 118 Y CA -2.683 55.277 58.100 -0.233 0.000 1.029 118 Y CB 1.914 40.245 38.460 -0.214 0.000 1.308 118 Y HN 0.009 7.814 8.280 -0.791 0.000 0.461 119 G N -1.474 107.079 108.800 -0.412 0.000 2.649 119 G HA2 0.325 nan 3.960 nan 0.000 0.290 119 G HA3 0.325 nan 3.960 nan 0.000 0.290 119 G C -3.623 170.846 174.900 -0.719 0.000 1.426 119 G CA -0.569 44.170 45.100 -0.601 0.000 0.794 119 G HN -0.222 7.897 8.290 -0.285 0.000 0.483 120 F N -3.279 116.700 119.950 0.047 0.000 2.603 120 F HA 0.609 nan 4.527 nan 0.000 0.317 120 F C -1.125 174.688 175.800 0.021 0.000 1.066 120 F CA -1.511 56.514 58.000 0.040 0.000 0.941 120 F CB 3.812 42.840 39.000 0.047 0.000 1.291 120 F HN -0.061 8.127 8.300 -0.188 0.000 0.472 121 N N 0.668 119.497 118.700 0.215 0.000 2.371 121 N HA 0.138 nan 4.740 nan 0.000 0.280 121 N C -1.868 173.695 175.510 0.087 0.000 1.084 121 N CA -0.099 53.020 53.050 0.115 0.000 0.892 121 N CB 2.759 41.287 38.487 0.069 0.000 1.653 121 N HN 0.154 8.685 8.380 0.251 0.000 0.480 122 G N -0.035 108.803 108.800 0.063 0.000 2.448 122 G HA2 0.429 nan 3.960 nan 0.000 0.324 122 G HA3 0.429 nan 3.960 nan 0.000 0.324 122 G C -1.630 173.288 174.900 0.031 0.000 1.203 122 G CA -0.646 44.479 45.100 0.042 0.000 0.954 122 G HN 0.189 8.515 8.290 0.061 0.000 0.480 123 N N 2.799 121.513 118.700 0.024 0.000 2.425 123 N HA 0.192 nan 4.740 nan 0.000 0.289 123 N C -1.611 173.907 175.510 0.014 0.000 1.074 123 N CA 0.110 53.171 53.050 0.018 0.000 0.905 123 N CB 3.949 42.447 38.487 0.018 0.000 1.586 123 N HN -0.120 8.273 8.380 0.023 0.000 0.490 124 V N 1.990 121.910 119.914 0.011 0.000 2.384 124 V HA 0.467 nan 4.120 nan 0.000 0.287 124 V C -0.244 175.854 176.094 0.007 0.000 1.020 124 V CA -0.548 61.757 62.300 0.008 0.000 0.850 124 V CB 0.555 32.383 31.823 0.007 0.000 0.987 124 V HN 0.211 8.408 8.190 0.011 0.000 0.436 125 T N 6.265 120.823 114.554 0.007 0.000 2.938 125 T HA 0.556 nan 4.350 nan 0.000 0.285 125 T C -0.699 174.004 174.700 0.005 0.000 1.028 125 T CA -2.232 59.872 62.100 0.006 0.000 1.005 125 T CB 2.497 71.369 68.868 0.006 0.000 1.157 125 T HN 0.429 8.546 8.240 0.007 0.127 0.550 126 G N -0.667 108.136 108.800 0.004 0.000 2.341 126 G HA2 0.316 nan 3.960 nan 0.000 0.299 126 G HA3 0.316 nan 3.960 nan 0.000 0.299 126 G C -2.470 172.432 174.900 0.003 0.000 1.274 126 G CA 0.350 45.452 45.100 0.003 0.000 0.853 126 G HN 0.056 8.348 8.290 0.004 0.000 0.493 127 D N -2.926 117.476 120.400 0.003 0.000 3.182 127 D HA 0.069 nan 4.640 nan 0.000 0.352 127 D C -0.079 176.223 176.300 0.002 0.000 1.421 127 D CA -0.255 53.746 54.000 0.003 0.000 0.912 127 D CB 0.451 41.253 40.800 0.003 0.000 1.461 127 D HN -0.326 8.045 8.370 0.003 0.000 0.548 128 D N -3.450 116.952 120.400 0.002 0.000 2.234 128 D HA -0.116 nan 4.640 nan 0.000 0.205 128 D C 0.729 177.030 176.300 0.002 0.000 0.962 128 D CA 1.827 55.828 54.000 0.002 0.000 0.855 128 D CB -0.531 40.270 40.800 0.002 0.000 0.951 128 D HN 0.288 8.659 8.370 0.002 0.000 0.500 129 T N -6.057 108.498 114.554 0.002 0.000 3.163 129 T HA 0.052 nan 4.350 nan 0.000 0.260 129 T C 1.151 175.852 174.700 0.002 0.000 1.156 129 T CA -0.123 61.978 62.100 0.002 0.000 1.072 129 T CB -0.636 68.233 68.868 0.002 0.000 0.937 129 T HN -0.338 8.021 8.240 0.002 -0.118 0.528 130 G N 0.525 109.326 108.800 0.002 0.000 2.176 130 G HA2 -0.412 nan 3.960 nan 0.000 0.253 130 G HA3 -0.412 nan 3.960 nan 0.000 0.253 130 G C -0.362 174.539 174.900 0.002 0.000 0.979 130 G CA -0.335 44.767 45.100 0.002 0.000 0.641 130 G HN -0.494 7.744 8.290 0.002 0.053 0.530 131 K N 1.130 121.531 120.400 0.002 0.000 2.397 131 K HA -0.057 nan 4.320 nan 0.000 0.265 131 K C -0.988 175.614 176.600 0.002 0.000 0.982 131 K CA 0.699 56.987 56.287 0.002 0.000 0.931 131 K CB 0.710 33.211 32.500 0.002 0.000 0.943 131 K HN -0.470 7.925 8.250 0.002 -0.143 0.501 132 I N 2.648 123.219 120.570 0.003 0.000 2.534 132 I HA 0.145 nan 4.170 nan 0.000 0.286 132 I C -0.963 175.156 176.117 0.003 0.000 1.094 132 I CA -0.598 60.704 61.300 0.003 0.000 1.055 132 I CB 1.744 39.745 38.000 0.002 0.000 1.225 132 I HN -0.088 8.124 8.210 0.002 0.000 0.435 133 G N 5.807 114.609 108.800 0.004 0.000 2.597 133 G HA2 0.386 nan 3.960 nan 0.000 0.317 133 G HA3 0.386 nan 3.960 nan 0.000 0.317 133 G C -1.872 173.032 174.900 0.006 0.000 1.230 133 G CA -1.411 43.692 45.100 0.005 0.000 0.996 133 G HN 0.320 8.460 8.290 0.004 0.152 0.490 134 G N -2.891 105.913 108.800 0.007 0.000 2.698 134 G HA2 0.595 nan 3.960 nan 0.000 0.293 134 G HA3 0.595 nan 3.960 nan 0.000 0.293 134 G C -1.826 173.080 174.900 0.010 0.000 1.437 134 G CA 0.192 45.297 45.100 0.008 0.000 0.852 134 G HN -0.116 8.178 8.290 0.007 0.000 0.499 135 L N 1.076 122.307 121.223 0.013 0.000 2.614 135 L HA 0.376 nan 4.340 nan 0.000 0.264 135 L C -1.878 175.006 176.870 0.024 0.000 0.940 135 L CA 0.288 55.139 54.840 0.018 0.000 0.903 135 L CB 3.642 45.712 42.059 0.019 0.000 1.306 135 L HN 0.255 8.493 8.230 0.014 0.000 0.410 136 I N 4.640 125.225 120.570 0.026 0.000 2.437 136 I HA 0.389 nan 4.170 nan 0.000 0.279 136 I C -0.403 175.746 176.117 0.054 0.000 1.028 136 I CA -1.103 60.218 61.300 0.035 0.000 1.142 136 I CB 0.911 38.919 38.000 0.015 0.000 1.266 136 I HN 0.060 8.284 8.210 0.022 0.000 0.461 137 G N 6.436 115.284 108.800 0.080 0.000 2.552 137 G HA2 0.393 nan 3.960 nan 0.000 0.318 137 G HA3 0.393 nan 3.960 nan 0.000 0.318 137 G C -2.405 172.606 174.900 0.185 0.000 1.240 137 G CA -1.307 43.853 45.100 0.100 0.000 1.002 137 G HN 0.487 8.824 8.290 0.080 0.000 0.493 138 A N -1.287 121.642 122.820 0.183 0.000 2.608 138 A HA 0.729 nan 4.320 nan 0.000 0.292 138 A C -2.187 175.465 177.584 0.114 0.000 1.066 138 A CA -0.086 52.115 52.037 0.273 0.000 0.676 138 A CB 2.723 21.973 19.000 0.417 0.000 1.277 138 A HN -0.016 8.207 8.150 0.122 0.000 0.413 139 N N -1.630 117.094 118.700 0.039 0.000 3.046 139 N HA 0.188 nan 4.740 nan 0.000 0.243 139 N C -2.524 172.990 175.510 0.006 0.000 1.452 139 N CA 0.021 53.080 53.050 0.014 0.000 0.882 139 N CB 2.527 41.011 38.487 -0.005 0.000 1.425 139 N HN 0.208 8.569 8.380 -0.030 0.000 0.517 140 V N -1.487 118.438 119.914 0.018 0.000 3.087 140 V HA 0.626 nan 4.120 nan 0.000 0.306 140 V C -1.682 174.419 176.094 0.012 0.000 1.187 140 V CA -0.810 61.511 62.300 0.035 0.000 0.999 140 V CB 3.564 35.409 31.823 0.037 0.000 1.049 140 V HN 0.212 8.411 8.190 0.014 0.000 0.431 141 S N 2.873 118.577 115.700 0.007 0.000 2.605 141 S HA 0.229 nan 4.470 nan 0.000 0.279 141 S C -2.474 172.105 174.600 -0.035 0.000 1.166 141 S CA 0.041 58.230 58.200 -0.018 0.000 0.975 141 S CB 1.978 65.158 63.200 -0.033 0.000 1.111 141 S HN 0.309 8.636 8.310 0.028 0.000 0.465 142 I N 4.437 124.976 120.570 -0.052 0.000 2.362 142 I HA 0.553 nan 4.170 nan 0.000 0.289 142 I C -0.499 175.508 176.117 -0.182 0.000 0.994 142 I CA -0.854 60.379 61.300 -0.112 0.000 1.158 142 I CB 1.472 39.427 38.000 -0.075 0.000 1.315 142 I HN 0.329 8.518 8.210 -0.035 0.000 0.451 143 G N 6.194 114.821 108.800 -0.288 0.000 2.498 143 G HA2 0.358 nan 3.960 nan 0.000 0.312 143 G HA3 0.358 nan 3.960 nan 0.000 0.312 143 G C -2.751 171.837 174.900 -0.520 0.000 1.230 143 G CA -0.724 44.208 45.100 -0.280 0.000 0.968 143 G HN 0.847 8.850 8.290 -0.295 0.109 0.481 144 H N -1.065 117.953 119.070 -0.087 0.000 2.966 144 H HA 0.563 nan 4.556 nan 0.000 0.347 144 H C -1.118 174.092 175.328 -0.196 0.000 1.048 144 H CA -0.318 55.617 56.048 -0.189 0.000 1.295 144 H CB 3.342 33.031 29.762 -0.122 0.000 1.744 144 H HN 0.056 8.293 8.280 -0.072 0.000 0.513 145 T N 1.919 116.377 114.554 -0.160 0.000 2.885 145 T HA 0.384 nan 4.350 nan 0.000 0.285 145 T C -1.928 172.689 174.700 -0.140 0.000 1.019 145 T CA -1.702 60.332 62.100 -0.110 0.000 1.010 145 T CB 2.356 71.171 68.868 -0.088 0.000 1.022 145 T HN 0.117 8.198 8.240 -0.265 0.000 0.466 146 L N 1.887 123.110 121.223 -0.001 0.000 2.381 146 L HA 0.718 nan 4.340 nan 0.000 0.274 146 L C -1.537 175.399 176.870 0.111 0.000 0.988 146 L CA -0.555 54.361 54.840 0.126 0.000 0.824 146 L CB 2.442 44.640 42.059 0.232 0.000 1.263 146 L HN 0.227 8.462 8.230 0.009 0.000 0.410 147 K N 8.013 128.496 120.400 0.139 0.000 2.471 147 K HA 0.510 nan 4.320 nan 0.000 0.252 147 K C -2.281 174.399 176.600 0.135 0.000 0.938 147 K CA -0.795 55.506 56.287 0.024 0.000 0.796 147 K CB 3.244 35.739 32.500 -0.007 0.000 1.161 147 K HN 0.888 9.248 8.250 0.183 0.000 0.425 148 Y N -2.123 118.185 120.300 0.013 0.000 2.609 148 Y HA 0.457 nan 4.550 nan 0.000 0.336 148 Y C -1.476 174.424 175.900 0.001 0.000 1.129 148 Y CA -2.100 56.007 58.100 0.012 0.000 1.040 148 Y CB 1.238 39.707 38.460 0.016 0.000 1.310 148 Y HN -0.063 7.882 8.280 -0.559 0.000 0.460 149 V N 2.979 122.976 119.914 0.138 0.000 2.439 149 V HA 0.092 nan 4.120 nan 0.000 0.282 149 V C -0.156 176.001 176.094 0.105 0.000 1.039 149 V CA -0.340 61.995 62.300 0.059 0.000 0.913 149 V CB -0.160 31.691 31.823 0.046 0.000 0.983 149 V HN 0.448 8.752 8.190 0.191 0.000 0.460 150 Q N 5.281 125.110 119.800 0.048 0.000 2.357 150 Q HA 0.488 nan 4.340 nan 0.000 0.266 150 Q C -2.351 173.650 176.000 0.001 0.000 1.021 150 Q CA -2.778 53.054 55.803 0.047 0.000 0.784 150 Q CB 0.758 29.518 28.738 0.038 0.000 1.243 150 Q HN 0.119 8.385 8.270 -0.007 0.000 0.465 151 P HA 0.145 nan 4.420 nan 0.000 0.275 151 P C -0.608 176.669 177.300 -0.038 0.000 1.228 151 P CA -0.740 62.371 63.100 0.019 0.000 0.786 151 P CB 1.655 33.388 31.700 0.055 0.000 0.927 152 D N -0.278 120.118 120.400 -0.007 0.000 2.144 152 D HA -0.187 nan 4.640 nan 0.000 0.199 152 D C 0.020 176.131 176.300 -0.315 0.000 0.984 152 D CA 2.292 56.211 54.000 -0.135 0.000 0.834 152 D CB 0.283 41.141 40.800 0.097 0.000 0.955 152 D HN 0.286 8.694 8.370 0.064 0.000 0.465 153 F N -5.355 114.577 119.950 -0.029 0.000 2.588 153 F HA 0.315 nan 4.527 nan 0.000 0.314 153 F C -1.183 174.622 175.800 0.008 0.000 1.069 153 F CA -1.262 56.746 58.000 0.013 0.000 0.931 153 F CB 4.144 43.202 39.000 0.096 0.000 1.260 153 F HN -0.721 7.712 8.300 0.252 0.018 0.465 154 K N 1.668 122.186 120.400 0.196 0.000 2.292 154 K HA 0.403 nan 4.320 nan 0.000 0.257 154 K C -1.647 175.028 176.600 0.124 0.000 0.940 154 K CA -1.448 54.912 56.287 0.121 0.000 0.811 154 K CB 3.221 35.763 32.500 0.070 0.000 1.120 154 K HN 0.697 8.975 8.250 0.224 0.106 0.428 155 T N 2.146 116.765 114.554 0.108 0.000 2.743 155 T HA 0.500 nan 4.350 nan 0.000 0.292 155 T C -0.319 174.433 174.700 0.086 0.000 0.972 155 T CA -1.489 60.675 62.100 0.107 0.000 0.967 155 T CB 0.005 68.971 68.868 0.164 0.000 0.926 155 T HN 0.309 8.613 8.240 0.108 0.000 0.459 156 I N 8.702 129.310 120.570 0.064 0.000 2.530 156 I HA 0.379 nan 4.170 nan 0.000 0.297 156 I C -1.821 174.271 176.117 -0.043 0.000 1.011 156 I CA -1.508 59.800 61.300 0.013 0.000 1.107 156 I CB 4.081 42.075 38.000 -0.010 0.000 1.285 156 I HN 0.960 9.101 8.210 0.067 0.109 0.436 157 L N 6.457 127.599 121.223 -0.136 0.000 2.255 157 L HA 0.283 nan 4.340 nan 0.000 0.289 157 L C -1.218 175.405 176.870 -0.412 0.000 1.046 157 L CA -0.873 53.703 54.840 -0.440 0.000 0.816 157 L CB 0.707 42.525 42.059 -0.402 0.000 1.197 157 L HN 0.206 8.751 8.230 -0.093 -0.371 0.427 158 E N 7.047 126.974 120.200 -0.454 0.000 2.398 158 E HA -0.041 nan 4.350 nan 0.000 0.263 158 E C -0.554 175.822 176.600 -0.374 0.000 1.046 158 E CA -0.145 56.061 56.400 -0.324 0.000 0.908 158 E CB 0.826 30.368 29.700 -0.263 0.000 0.963 158 E HN 0.227 8.261 8.360 -0.544 0.000 0.431 159 S N 4.136 119.683 115.700 -0.256 0.000 2.737 159 S HA -0.174 nan 4.470 nan 0.000 0.315 159 S C -1.955 172.483 174.600 -0.270 0.000 1.236 159 S CA 0.117 58.179 58.200 -0.231 0.000 1.093 159 S CB -0.523 62.592 63.200 -0.142 0.000 0.832 159 S HN 0.149 8.342 8.310 -0.196 0.000 0.507 160 P HA 0.392 nan 4.420 nan 0.000 0.283 160 P C -1.629 175.591 177.300 -0.134 0.000 1.271 160 P CA -0.918 61.997 63.100 -0.309 0.000 0.841 160 P CB 1.619 32.993 31.700 -0.544 0.000 1.122 161 T N -2.799 111.709 114.554 -0.078 0.000 2.858 161 T HA 0.357 nan 4.350 nan 0.000 0.285 161 T C 0.230 174.944 174.700 0.023 0.000 1.052 161 T CA -1.760 60.328 62.100 -0.020 0.000 1.009 161 T CB 2.047 70.902 68.868 -0.022 0.000 1.241 161 T HN 0.224 8.408 8.240 -0.094 0.000 0.542 162 D N -4.133 116.289 120.400 0.036 0.000 2.363 162 D HA -0.080 nan 4.640 nan 0.000 0.226 162 D C 0.646 176.980 176.300 0.056 0.000 1.020 162 D CA 1.955 55.989 54.000 0.057 0.000 0.892 162 D CB -0.579 40.248 40.800 0.045 0.000 0.900 162 D HN 0.309 8.693 8.370 0.025 0.000 0.531 163 K N -1.859 118.565 120.400 0.039 0.000 2.373 163 K HA 0.239 nan 4.320 nan 0.000 0.200 163 K C -1.439 175.183 176.600 0.037 0.000 1.054 163 K CA -0.484 55.829 56.287 0.044 0.000 1.065 163 K CB 1.726 34.247 32.500 0.034 0.000 0.886 163 K HN 0.045 8.240 8.250 0.024 0.070 0.546 164 K N -3.170 117.236 120.400 0.011 0.000 2.568 164 K HA 0.551 nan 4.320 nan 0.000 0.273 164 K C -3.052 173.494 176.600 -0.091 0.000 0.951 164 K CA -0.559 55.719 56.287 -0.015 0.000 0.854 164 K CB 3.872 36.361 32.500 -0.018 0.000 1.424 164 K HN -0.482 7.661 8.250 0.004 0.109 0.427 165 V N 1.581 121.414 119.914 -0.135 0.000 2.969 165 V HA 0.678 nan 4.120 nan 0.000 0.304 165 V C -2.636 173.236 176.094 -0.370 0.000 1.192 165 V CA -1.634 60.455 62.300 -0.352 0.000 0.962 165 V CB 4.218 35.806 31.823 -0.390 0.000 1.045 165 V HN 0.055 8.207 8.190 -0.064 0.000 0.428 166 G N 3.986 112.437 108.800 -0.582 0.000 2.704 166 G HA2 0.809 nan 3.960 nan 0.000 0.293 166 G HA3 0.809 nan 3.960 nan 0.000 0.293 166 G C -2.703 171.839 174.900 -0.598 0.000 1.421 166 G CA 0.223 45.094 45.100 -0.381 0.000 0.870 166 G HN -0.237 7.615 8.290 -0.730 0.000 0.492 167 W N -1.135 120.009 121.300 -0.260 0.000 2.882 167 W HA 0.763 nan 4.660 nan 0.000 0.345 167 W C -1.586 174.813 176.519 -0.200 0.000 1.125 167 W CA -1.567 55.544 57.345 -0.389 0.000 1.167 167 W CB 4.918 33.785 29.460 -0.987 0.000 1.431 167 W HN 0.895 9.172 8.180 0.162 0.000 0.543 168 K N -3.287 117.154 120.400 0.069 0.000 2.553 168 K HA 0.608 nan 4.320 nan 0.000 0.250 168 K C -2.319 174.336 176.600 0.092 0.000 0.953 168 K CA -0.834 55.507 56.287 0.090 0.000 0.800 168 K CB 3.200 35.732 32.500 0.053 0.000 1.243 168 K HN 0.820 9.096 8.250 0.043 0.000 0.435 169 V N 2.721 122.688 119.914 0.089 0.000 2.311 169 V HA 0.821 nan 4.120 nan 0.000 0.275 169 V C -1.787 174.454 176.094 0.244 0.000 1.022 169 V CA -2.391 59.942 62.300 0.055 0.000 0.830 169 V CB 0.331 31.964 31.823 -0.316 0.000 1.012 169 V HN 0.680 8.936 8.190 0.111 0.000 0.452 170 I N 2.821 123.562 120.570 0.284 0.000 2.498 170 I HA 0.917 nan 4.170 nan 0.000 0.301 170 I C -1.446 174.905 176.117 0.391 0.000 0.984 170 I CA -2.615 58.891 61.300 0.343 0.000 1.204 170 I CB 2.606 40.714 38.000 0.180 0.000 1.362 170 I HN 0.521 8.853 8.210 0.203 0.000 0.471 171 F N 4.753 124.797 119.950 0.155 0.000 2.572 171 F HA -0.338 nan 4.527 nan 0.000 0.370 171 F C -1.656 174.071 175.800 -0.122 0.000 1.103 171 F CA 2.043 59.860 58.000 -0.304 0.000 1.286 171 F CB 0.701 39.692 39.000 -0.015 0.000 1.105 171 F HN 0.288 8.884 8.300 0.492 0.000 0.583 172 N N 5.027 123.160 118.700 -0.945 0.000 2.652 172 N HA 0.167 nan 4.740 nan 0.000 0.226 172 N C -1.735 173.365 175.510 -0.682 0.000 1.023 172 N CA 0.980 53.700 53.050 -0.550 0.000 1.126 172 N CB 2.994 41.264 38.487 -0.362 0.000 1.476 172 N HN 0.726 8.207 8.380 -1.500 0.000 0.537 173 N N -3.942 114.216 118.700 -0.904 0.000 3.185 173 N HA 0.227 nan 4.740 nan 0.000 0.238 173 N C -2.103 173.144 175.510 -0.439 0.000 1.451 173 N CA -0.413 52.327 53.050 -0.517 0.000 0.888 173 N CB 2.655 41.036 38.487 -0.177 0.000 1.413 173 N HN -0.644 7.181 8.380 -0.924 0.000 0.511 174 M N -0.973 118.570 119.600 -0.095 0.000 2.534 174 M HA 0.231 nan 4.480 nan 0.000 0.280 174 M C -2.322 173.992 176.300 0.023 0.000 1.217 174 M CA -0.016 55.280 55.300 -0.008 0.000 0.893 174 M CB 4.502 37.204 32.600 0.169 0.000 1.730 174 M HN 0.741 9.007 8.290 0.004 0.027 0.483 175 V N 2.962 122.879 119.914 0.006 0.000 2.488 175 V HA 0.222 nan 4.120 nan 0.000 0.277 175 V C -0.668 175.469 176.094 0.071 0.000 1.046 175 V CA -0.232 62.068 62.300 -0.001 0.000 0.986 175 V CB -0.453 31.336 31.823 -0.057 0.000 0.989 175 V HN 0.252 8.443 8.190 0.001 0.000 0.475 176 N N 7.378 126.171 118.700 0.154 0.000 2.546 176 N HA 0.151 nan 4.740 nan 0.000 0.238 176 N C -0.897 174.709 175.510 0.160 0.000 0.984 176 N CA -1.544 51.613 53.050 0.178 0.000 0.935 176 N CB 1.179 39.814 38.487 0.247 0.000 1.122 176 N HN 0.181 8.672 8.380 0.186 0.000 0.510 177 Q N 6.171 126.020 119.800 0.081 0.000 2.448 177 Q HA -0.337 nan 4.340 nan 0.000 0.356 177 Q C -1.027 174.953 176.000 -0.033 0.000 1.430 177 Q CA 0.906 56.739 55.803 0.051 0.000 1.011 177 Q CB -2.265 26.534 28.738 0.102 0.000 1.203 177 Q HN 0.748 9.057 8.270 0.065 0.000 0.351 178 N N -7.185 111.393 118.700 -0.204 0.000 2.900 178 N HA -0.433 nan 4.740 nan 0.000 0.240 178 N C -1.238 173.657 175.510 -1.025 0.000 0.953 178 N CA 1.578 54.286 53.050 -0.569 0.000 0.950 178 N CB -0.447 37.654 38.487 -0.642 0.000 1.102 178 N HN 0.276 8.575 8.380 -0.135 0.000 0.593 179 W N -2.260 119.036 121.300 -0.006 0.000 2.962 179 W HA 0.135 nan 4.660 nan 0.000 0.341 179 W C -1.104 175.321 176.519 -0.156 0.000 1.155 179 W CA -0.479 56.840 57.345 -0.043 0.000 1.165 179 W CB 2.426 31.897 29.460 0.018 0.000 1.435 179 W HN -0.713 7.364 8.180 -0.039 0.080 0.546 180 G N -1.723 107.037 108.800 -0.065 0.000 2.317 180 G HA2 -0.243 nan 3.960 nan 0.000 0.196 180 G HA3 -0.243 nan 3.960 nan 0.000 0.196 180 G C -2.121 172.595 174.900 -0.307 0.000 1.255 180 G CA -0.634 44.102 45.100 -0.606 0.000 1.243 180 G HN -0.234 8.156 8.290 0.167 0.000 0.535 181 P HA 0.395 nan 4.420 nan 0.000 0.278 181 P C -1.999 175.053 177.300 -0.414 0.000 1.258 181 P CA -0.332 62.584 63.100 -0.306 0.000 0.811 181 P CB 0.961 32.570 31.700 -0.151 0.000 1.063 182 Y N -2.114 118.189 120.300 0.004 0.000 2.528 182 Y HA 0.189 nan 4.550 nan 0.000 0.335 182 Y C -0.760 175.181 175.900 0.069 0.000 1.093 182 Y CA -1.098 57.012 58.100 0.017 0.000 1.134 182 Y CB 2.953 41.387 38.460 -0.044 0.000 1.253 182 Y HN 0.576 8.765 8.280 -0.001 0.091 0.478 183 D N -1.181 119.398 120.400 0.299 0.000 2.846 183 D HA 0.347 nan 4.640 nan 0.000 0.273 183 D C 1.266 177.768 176.300 0.336 0.000 1.145 183 D CA -1.839 52.393 54.000 0.387 0.000 1.091 183 D CB 1.490 42.445 40.800 0.258 0.000 1.364 183 D HN 0.227 8.783 8.370 0.309 0.000 0.613 184 R N -3.294 117.439 120.500 0.388 0.000 2.280 184 R HA -0.145 nan 4.340 nan 0.000 0.207 184 R C 0.361 176.836 176.300 0.292 0.000 1.043 184 R CA 2.436 58.747 56.100 0.352 0.000 1.006 184 R CB -0.002 30.517 30.300 0.366 0.000 0.885 184 R HN 0.418 8.959 8.270 0.452 0.000 0.467 185 D N -4.191 116.366 120.400 0.263 0.000 2.479 185 D HA 0.222 nan 4.640 nan 0.000 0.218 185 D C -0.715 175.760 176.300 0.293 0.000 1.177 185 D CA -0.486 53.660 54.000 0.244 0.000 0.830 185 D CB 0.749 41.655 40.800 0.176 0.000 1.014 185 D HN -0.372 8.394 8.370 0.260 -0.240 0.503 186 S N 0.705 116.593 115.700 0.314 0.000 2.525 186 S HA -0.100 nan 4.470 nan 0.000 0.285 186 S C -0.872 173.972 174.600 0.407 0.000 1.283 186 S CA 1.805 60.209 58.200 0.339 0.000 1.072 186 S CB 0.372 63.812 63.200 0.400 0.000 0.867 186 S HN -0.718 7.809 8.310 0.300 -0.037 0.492 187 W N 6.460 127.850 121.300 0.150 0.000 2.687 187 W HA -0.029 nan 4.660 nan 0.000 0.328 187 W C -2.905 173.684 176.519 0.117 0.000 1.012 187 W CA -0.606 56.812 57.345 0.122 0.000 1.262 187 W CB 2.643 32.161 29.460 0.095 0.000 1.331 187 W HN -0.101 8.303 8.180 0.373 0.000 0.433 188 N N 8.392 126.888 118.700 -0.341 0.000 2.408 188 N HA 0.381 nan 4.740 nan 0.000 0.280 188 N C -1.081 174.171 175.510 -0.431 0.000 1.002 188 N CA -3.204 49.727 53.050 -0.197 0.000 0.907 188 N CB 2.751 41.206 38.487 -0.053 0.000 1.161 188 N HN 0.161 8.029 8.380 -0.631 0.133 0.488 189 P HA -0.321 nan 4.420 nan 0.000 0.215 189 P C 0.913 178.093 177.300 -0.201 0.000 1.163 189 P CA 2.528 65.595 63.100 -0.055 0.000 0.894 189 P CB 0.398 32.108 31.700 0.015 0.000 0.791 190 V N -2.662 117.075 119.914 -0.294 0.000 2.323 190 V HA -0.228 nan 4.120 nan 0.000 0.244 190 V C 1.921 177.648 176.094 -0.611 0.000 1.041 190 V CA 3.166 65.168 62.300 -0.496 0.000 1.025 190 V CB -0.378 31.008 31.823 -0.730 0.000 0.656 190 V HN -0.501 7.665 8.190 -0.239 -0.119 0.451 191 Y N -3.585 116.538 120.300 -0.294 0.000 2.457 191 Y HA 0.113 nan 4.550 nan 0.000 0.263 191 Y C 0.700 176.288 175.900 -0.520 0.000 1.164 191 Y CA -0.841 57.066 58.100 -0.322 0.000 1.274 191 Y CB 0.271 38.600 38.460 -0.218 0.000 1.097 191 Y HN -0.183 8.278 8.280 -0.314 -0.369 0.523 192 G N 0.442 108.732 108.800 -0.850 0.000 2.582 192 G HA2 -0.581 nan 3.960 nan 0.000 0.288 192 G HA3 -0.581 nan 3.960 nan 0.000 0.288 192 G C -0.980 173.416 174.900 -0.839 0.000 1.247 192 G CA 0.147 44.212 45.100 -1.724 0.000 0.972 192 G HN 0.517 8.258 8.290 -0.823 0.055 0.557 193 N N 4.585 123.077 118.700 -0.346 0.000 2.408 193 N HA 0.033 nan 4.740 nan 0.000 0.257 193 N C -0.129 175.373 175.510 -0.014 0.000 1.064 193 N CA -0.264 52.804 53.050 0.030 0.000 0.952 193 N CB -0.096 38.588 38.487 0.328 0.000 1.093 193 N HN 0.058 8.167 8.380 -0.304 0.089 0.490 194 Q N 3.620 123.241 119.800 -0.299 0.000 2.246 194 Q HA 0.079 nan 4.340 nan 0.000 0.202 194 Q C 1.767 177.351 176.000 -0.694 0.000 0.883 194 Q CA -0.146 55.354 55.803 -0.505 0.000 0.952 194 Q CB 0.278 28.552 28.738 -0.773 0.000 1.078 194 Q HN 0.557 8.612 8.270 -0.358 0.000 0.493 195 L N 1.113 121.966 121.223 -0.617 0.000 1.997 195 L HA -0.367 nan 4.340 nan 0.000 0.227 195 L C -0.103 176.223 176.870 -0.906 0.000 1.087 195 L CA 3.506 57.861 54.840 -0.810 0.000 0.797 195 L CB 0.260 41.608 42.059 -1.184 0.000 0.902 195 L HN -0.055 8.245 8.230 -0.376 -0.296 0.441 196 F N -8.149 111.429 119.950 -0.621 0.000 2.708 196 F HA 0.181 nan 4.527 nan 0.000 0.300 196 F C -1.090 174.687 175.800 -0.039 0.000 1.118 196 F CA -2.904 54.874 58.000 -0.370 0.000 1.307 196 F CB -0.268 38.413 39.000 -0.532 0.000 0.986 196 F HN -0.568 7.006 8.300 -1.209 0.000 0.522 197 M N -1.541 118.115 119.600 0.094 0.000 2.146 197 M HA 0.215 nan 4.480 nan 0.000 0.357 197 M C -0.753 175.526 176.300 -0.034 0.000 1.261 197 M CA -0.105 55.222 55.300 0.046 0.000 1.106 197 M CB 1.258 33.855 32.600 -0.004 0.000 1.612 197 M HN -0.461 7.806 8.290 -0.039 0.000 0.470 198 K N 3.828 124.187 120.400 -0.069 0.000 2.001 198 K HA -0.139 nan 4.320 nan 0.000 0.208 198 K C 0.322 176.884 176.600 -0.062 0.000 1.048 198 K CA 2.355 58.613 56.287 -0.048 0.000 0.932 198 K CB 0.674 33.140 32.500 -0.057 0.000 0.715 198 K HN 0.671 8.732 8.250 -0.123 0.115 0.437 199 T N -5.742 108.741 114.554 -0.117 0.000 2.841 199 T HA 0.258 nan 4.350 nan 0.000 0.283 199 T C -0.070 174.652 174.700 0.037 0.000 1.000 199 T CA -1.559 60.523 62.100 -0.029 0.000 0.977 199 T CB 1.903 70.790 68.868 0.031 0.000 0.979 199 T HN -0.341 8.016 8.240 -0.228 -0.254 0.446 200 R N 2.122 122.651 120.500 0.049 0.000 2.115 200 R HA -0.253 nan 4.340 nan 0.000 0.226 200 R C -0.542 176.075 176.300 0.530 0.000 1.100 200 R CA 3.474 59.611 56.100 0.061 0.000 0.980 200 R CB 0.566 30.676 30.300 -0.317 0.000 0.875 200 R HN 0.513 8.784 8.270 0.001 0.000 0.445 201 N N -5.818 113.179 118.700 0.494 0.000 2.471 201 N HA 0.048 nan 4.740 nan 0.000 0.270 201 N C -0.708 175.099 175.510 0.495 0.000 1.490 201 N CA -1.082 52.311 53.050 0.571 0.000 0.850 201 N CB -0.451 38.248 38.487 0.353 0.000 1.411 201 N HN -0.384 8.173 8.380 0.321 0.016 0.488 202 G N 0.346 109.448 108.800 0.504 0.000 2.527 202 G HA2 -0.105 nan 3.960 nan 0.000 0.248 202 G HA3 -0.105 nan 3.960 nan 0.000 0.248 202 G C -0.623 174.439 174.900 0.270 0.000 1.231 202 G CA -0.568 44.703 45.100 0.284 0.000 0.838 202 G HN -0.452 8.159 8.290 0.535 0.000 0.570 203 S N 2.046 117.785 115.700 0.065 0.000 3.363 203 S HA 0.323 nan 4.470 nan 0.000 0.267 203 S C -1.009 173.577 174.600 -0.023 0.000 1.288 203 S CA 0.073 58.229 58.200 -0.072 0.000 0.948 203 S CB -0.832 62.296 63.200 -0.120 0.000 1.397 203 S HN 0.111 8.455 8.310 0.056 0.000 0.493 204 M N 3.201 122.834 119.600 0.055 0.000 2.846 204 M HA 0.270 nan 4.480 nan 0.000 0.282 204 M C -1.200 175.131 176.300 0.052 0.000 1.266 204 M CA -1.094 54.214 55.300 0.013 0.000 0.766 204 M CB 3.275 35.852 32.600 -0.038 0.000 1.739 204 M HN -0.457 7.963 8.290 0.216 0.000 0.442 205 K N 0.280 120.680 120.400 0.000 0.000 2.138 205 K HA 0.102 nan 4.320 nan 0.000 0.251 205 K C 1.234 177.806 176.600 -0.047 0.000 1.015 205 K CA -0.342 55.961 56.287 0.026 0.000 0.917 205 K CB 0.270 32.775 32.500 0.008 0.000 1.021 205 K HN 0.330 8.567 8.250 -0.022 0.000 0.485 206 A N 1.424 124.256 122.820 0.020 0.000 2.019 206 A HA -0.214 nan 4.320 nan 0.000 0.219 206 A C 1.332 178.711 177.584 -0.342 0.000 1.164 206 A CA 2.883 54.793 52.037 -0.213 0.000 0.644 206 A CB -0.591 18.464 19.000 0.092 0.000 0.805 206 A HN 0.407 8.630 8.150 0.121 0.000 0.449 207 A N -4.292 118.486 122.820 -0.071 0.000 2.119 207 A HA -0.127 nan 4.320 nan 0.000 0.217 207 A C 0.570 178.188 177.584 0.056 0.000 1.153 207 A CA 2.035 54.125 52.037 0.089 0.000 0.692 207 A CB -0.442 18.616 19.000 0.097 0.000 0.799 207 A HN 0.231 8.339 8.150 -0.017 0.032 0.458 208 D N -3.847 116.492 120.400 -0.101 0.000 2.440 208 D HA 0.201 nan 4.640 nan 0.000 0.216 208 D C -0.974 175.208 176.300 -0.196 0.000 1.150 208 D CA 0.254 54.205 54.000 -0.082 0.000 0.832 208 D CB 0.580 41.347 40.800 -0.055 0.000 0.992 208 D HN -0.470 7.630 8.370 -0.161 0.174 0.502 209 N N -0.952 117.476 118.700 -0.453 0.000 2.273 209 N HA 0.061 nan 4.740 nan 0.000 0.231 209 N C -1.914 173.293 175.510 -0.505 0.000 1.134 209 N CA -0.943 51.751 53.050 -0.594 0.000 0.856 209 N CB 0.672 38.478 38.487 -1.134 0.000 1.068 209 N HN -0.679 7.291 8.380 -0.578 0.064 0.510 210 F N -1.854 118.043 119.950 -0.087 0.000 2.421 210 F HA 0.184 nan 4.527 nan 0.000 0.337 210 F C -0.187 175.646 175.800 0.055 0.000 1.105 210 F CA -1.350 56.660 58.000 0.016 0.000 1.049 210 F CB 1.471 40.484 39.000 0.021 0.000 1.139 210 F HN -0.827 7.363 8.300 -0.057 0.076 0.479 211 L N 2.925 124.340 121.223 0.319 0.000 2.559 211 L HA -0.186 nan 4.340 nan 0.000 0.282 211 L C -0.340 176.649 176.870 0.199 0.000 1.232 211 L CA 0.999 55.971 54.840 0.220 0.000 0.885 211 L CB 1.061 43.270 42.059 0.249 0.000 1.131 211 L HN 0.373 8.732 8.230 0.387 0.103 0.498 212 D N 6.941 127.402 120.400 0.102 0.000 2.425 212 D HA 0.063 nan 4.640 nan 0.000 0.247 212 D C 0.042 176.309 176.300 -0.054 0.000 1.147 212 D CA -2.046 51.984 54.000 0.050 0.000 0.879 212 D CB 0.619 41.437 40.800 0.029 0.000 1.179 212 D HN -0.086 8.334 8.370 0.084 0.000 0.456 213 P HA -0.194 nan 4.420 nan 0.000 0.218 213 P C 0.851 178.022 177.300 -0.215 0.000 1.148 213 P CA 2.029 64.862 63.100 -0.445 0.000 0.822 213 P CB 0.138 31.562 31.700 -0.459 0.000 0.784 214 N N -1.241 117.397 118.700 -0.104 0.000 2.364 214 N HA -0.192 nan 4.740 nan 0.000 0.183 214 N C 0.761 176.249 175.510 -0.036 0.000 1.022 214 N CA 2.149 55.166 53.050 -0.054 0.000 0.883 214 N CB -0.338 38.131 38.487 -0.029 0.000 0.965 214 N HN -0.275 8.184 8.380 -0.082 -0.129 0.438 215 K N -2.430 117.951 120.400 -0.033 0.000 2.417 215 K HA 0.032 nan 4.320 nan 0.000 0.196 215 K C -1.685 174.923 176.600 0.013 0.000 1.023 215 K CA -0.170 56.115 56.287 -0.002 0.000 1.122 215 K CB 0.520 33.030 32.500 0.017 0.000 0.850 215 K HN -0.406 7.651 8.250 -0.046 0.165 0.521 216 A N -2.307 120.500 122.820 -0.021 0.000 2.344 216 A HA 0.440 nan 4.320 nan 0.000 0.307 216 A C -0.956 176.666 177.584 0.064 0.000 1.151 216 A CA -2.057 49.999 52.037 0.032 0.000 0.842 216 A CB 1.682 20.645 19.000 -0.062 0.000 1.350 216 A HN -0.445 7.442 8.150 -0.073 0.219 0.459 217 S N -0.548 115.255 115.700 0.173 0.000 2.552 217 S HA -0.148 nan 4.470 nan 0.000 0.289 217 S C 1.586 176.291 174.600 0.175 0.000 1.304 217 S CA -0.593 57.745 58.200 0.230 0.000 1.063 217 S CB 0.854 64.320 63.200 0.443 0.000 0.848 217 S HN 0.046 8.498 8.310 0.236 0.000 0.499 218 S N 8.146 123.919 115.700 0.121 0.000 2.507 218 S HA -0.154 nan 4.470 nan 0.000 0.235 218 S C 1.268 175.920 174.600 0.086 0.000 0.988 218 S CA 2.714 60.953 58.200 0.066 0.000 0.944 218 S CB -0.283 62.935 63.200 0.031 0.000 0.762 218 S HN 0.603 8.983 8.310 0.118 0.000 0.526 219 L N 1.124 122.430 121.223 0.139 0.000 2.141 219 L HA -0.232 nan 4.340 nan 0.000 0.209 219 L C 0.777 177.824 176.870 0.295 0.000 1.094 219 L CA 2.480 57.373 54.840 0.089 0.000 0.763 219 L CB -0.253 41.706 42.059 -0.166 0.000 0.908 219 L HN -0.826 7.475 8.230 0.201 0.050 0.437 220 L N -4.412 117.033 121.223 0.370 0.000 2.083 220 L HA -0.385 nan 4.340 nan 0.000 0.209 220 L C 1.509 178.536 176.870 0.262 0.000 1.083 220 L CA 3.035 58.115 54.840 0.401 0.000 0.752 220 L CB -0.350 41.880 42.059 0.285 0.000 0.899 220 L HN -0.709 7.711 8.230 0.357 0.024 0.433 221 S N -2.578 113.186 115.700 0.108 0.000 2.440 221 S HA -0.106 nan 4.470 nan 0.000 0.194 221 S C 2.211 176.868 174.600 0.096 0.000 0.952 221 S CA 2.480 60.726 58.200 0.077 0.000 0.898 221 S CB -0.065 63.109 63.200 -0.043 0.000 0.875 221 S HN -0.834 7.502 8.310 0.072 0.016 0.581 222 S N 2.243 117.974 115.700 0.052 0.000 2.400 222 S HA -0.283 nan 4.470 nan 0.000 0.232 222 S C 0.821 175.446 174.600 0.042 0.000 1.025 222 S CA 2.429 60.650 58.200 0.035 0.000 0.993 222 S CB 0.455 63.655 63.200 0.001 0.000 0.808 222 S HN -0.475 7.852 8.310 0.028 0.000 0.478 223 G N -1.151 107.678 108.800 0.049 0.000 2.462 223 G HA2 -0.256 nan 3.960 nan 0.000 0.685 223 G HA3 -0.256 nan 3.960 nan 0.000 0.685 223 G C -2.215 172.579 174.900 -0.176 0.000 1.295 223 G CA -0.615 44.479 45.100 -0.010 0.000 0.941 223 G HN -0.811 7.505 8.290 0.067 0.013 0.554 224 F N 0.358 119.951 119.950 -0.595 0.000 2.469 224 F HA 0.408 nan 4.527 nan 0.000 0.332 224 F C -2.206 173.347 175.800 -0.412 0.000 1.103 224 F CA -2.106 55.491 58.000 -0.672 0.000 0.979 224 F CB 3.691 41.892 39.000 -1.332 0.000 1.137 224 F HN -0.030 8.030 8.300 -0.400 0.000 0.463 225 S N 8.123 123.049 115.700 -1.290 0.000 2.474 225 S HA 0.365 nan 4.470 nan 0.000 0.320 225 S C -2.288 171.465 174.600 -1.412 0.000 1.067 225 S CA -2.853 54.748 58.200 -0.999 0.000 1.127 225 S CB -0.066 62.800 63.200 -0.556 0.000 0.971 225 S HN 0.217 7.799 8.310 -1.215 0.000 0.472 226 P HA 0.050 nan 4.420 nan 0.000 0.269 226 P C -1.890 174.789 177.300 -1.035 0.000 1.215 226 P CA -0.021 62.325 63.100 -1.257 0.000 0.780 226 P CB 0.819 31.997 31.700 -0.870 0.000 0.898 227 D N -0.214 119.413 120.400 -1.289 0.000 2.978 227 D HA 0.105 nan 4.640 nan 0.000 0.268 227 D C -1.354 174.627 176.300 -0.531 0.000 1.252 227 D CA -0.679 52.925 54.000 -0.660 0.000 0.771 227 D CB 0.349 40.913 40.800 -0.394 0.000 1.361 227 D HN -0.120 6.953 8.370 -2.162 0.000 0.558 228 F N 0.522 120.240 119.950 -0.386 0.000 2.507 228 F HA 0.377 nan 4.527 nan 0.000 0.327 228 F C -1.640 173.957 175.800 -0.338 0.000 1.068 228 F CA -2.248 55.350 58.000 -0.670 0.000 0.965 228 F CB 2.552 40.659 39.000 -1.489 0.000 1.192 228 F HN -0.711 7.218 8.300 -0.619 0.000 0.476 229 A N 0.273 123.120 122.820 0.046 0.000 2.356 229 A HA 0.765 nan 4.320 nan 0.000 0.310 229 A C -2.358 175.462 177.584 0.394 0.000 1.075 229 A CA -1.363 50.798 52.037 0.207 0.000 0.746 229 A CB 2.594 21.720 19.000 0.210 0.000 1.221 229 A HN 0.906 9.078 8.150 0.037 0.000 0.443 230 T N 3.052 117.816 114.554 0.350 0.000 2.881 230 T HA 0.642 nan 4.350 nan 0.000 0.290 230 T C -2.094 172.733 174.700 0.210 0.000 1.000 230 T CA -1.546 60.783 62.100 0.382 0.000 0.978 230 T CB 2.883 72.028 68.868 0.462 0.000 0.997 230 T HN 0.275 8.667 8.240 0.254 0.000 0.443 231 V N 6.474 126.486 119.914 0.163 0.000 2.435 231 V HA 1.022 nan 4.120 nan 0.000 0.290 231 V C -2.010 174.157 176.094 0.122 0.000 1.030 231 V CA -2.864 59.498 62.300 0.104 0.000 0.881 231 V CB 1.879 33.737 31.823 0.059 0.000 0.983 231 V HN 0.663 8.830 8.190 0.167 0.123 0.445 232 I N 8.952 129.611 120.570 0.149 0.000 2.404 232 I HA 0.639 nan 4.170 nan 0.000 0.293 232 I C -1.312 174.958 176.117 0.255 0.000 0.992 232 I CA -1.262 60.165 61.300 0.211 0.000 1.149 232 I CB 2.651 40.815 38.000 0.274 0.000 1.315 232 I HN 0.754 9.041 8.210 0.128 0.000 0.446 233 T N 3.768 118.406 114.554 0.140 0.000 2.929 233 T HA 0.794 nan 4.350 nan 0.000 0.284 233 T C -1.766 172.821 174.700 -0.188 0.000 1.014 233 T CA -2.620 59.500 62.100 0.033 0.000 1.051 233 T CB 1.864 70.751 68.868 0.032 0.000 1.028 233 T HN 0.656 8.964 8.240 0.113 0.000 0.485 234 M N 1.464 120.808 119.600 -0.426 0.000 2.324 234 M HA 0.334 nan 4.480 nan 0.000 0.288 234 M C -2.612 173.435 176.300 -0.422 0.000 1.097 234 M CA -1.402 53.476 55.300 -0.705 0.000 0.928 234 M CB 4.509 36.008 32.600 -1.835 0.000 1.648 234 M HN 0.148 8.263 8.290 -0.291 0.000 0.460 235 D N 3.840 124.053 120.400 -0.311 0.000 2.383 235 D HA 0.031 nan 4.640 nan 0.000 0.252 235 D C 0.921 177.107 176.300 -0.190 0.000 1.166 235 D CA -0.256 53.626 54.000 -0.196 0.000 0.879 235 D CB 0.768 41.482 40.800 -0.143 0.000 1.164 235 D HN 0.349 8.533 8.370 -0.310 0.000 0.462 236 R N 5.389 125.812 120.500 -0.129 0.000 2.193 236 R HA -0.202 nan 4.340 nan 0.000 0.229 236 R C 1.012 177.273 176.300 -0.066 0.000 1.110 236 R CA 2.263 58.311 56.100 -0.086 0.000 0.988 236 R CB 0.094 30.367 30.300 -0.045 0.000 0.871 236 R HN 0.421 8.624 8.270 -0.112 0.000 0.458 237 K N -3.411 116.950 120.400 -0.066 0.000 2.397 237 K HA 0.062 nan 4.320 nan 0.000 0.202 237 K C -0.641 175.931 176.600 -0.048 0.000 1.022 237 K CA -0.673 55.586 56.287 -0.047 0.000 1.141 237 K CB 0.627 33.105 32.500 -0.038 0.000 0.857 237 K HN -0.667 7.761 8.250 -0.077 -0.224 0.514 238 A N 1.188 123.967 122.820 -0.069 0.000 2.445 238 A HA -0.046 nan 4.320 nan 0.000 0.242 238 A C 0.076 177.640 177.584 -0.034 0.000 1.075 238 A CA 0.642 52.643 52.037 -0.060 0.000 0.777 238 A CB 0.332 19.277 19.000 -0.092 0.000 1.013 238 A HN -0.522 7.509 8.150 -0.095 0.063 0.493 239 S N 1.258 116.947 115.700 -0.018 0.000 2.345 239 S HA -0.153 nan 4.470 nan 0.000 0.220 239 S C 0.721 175.327 174.600 0.010 0.000 1.031 239 S CA 2.068 60.266 58.200 -0.003 0.000 0.996 239 S CB 0.111 63.311 63.200 0.001 0.000 0.882 239 S HN 0.039 8.337 8.310 -0.020 0.000 0.445 240 K N 1.929 122.338 120.400 0.016 0.000 2.292 240 K HA 0.003 nan 4.320 nan 0.000 0.290 240 K C -0.451 176.188 176.600 0.064 0.000 1.083 240 K CA 0.288 56.601 56.287 0.042 0.000 0.918 240 K CB 0.079 32.607 32.500 0.046 0.000 1.089 240 K HN -0.308 7.946 8.250 0.006 0.000 0.473 241 Q N 2.950 122.810 119.800 0.101 0.000 2.201 241 Q HA 0.164 nan 4.340 nan 0.000 0.217 241 Q C -1.428 174.784 176.000 0.354 0.000 0.860 241 Q CA -0.184 55.730 55.803 0.185 0.000 0.984 241 Q CB 1.246 30.067 28.738 0.138 0.000 1.095 241 Q HN 0.266 8.588 8.270 0.086 0.000 0.477 242 Q N -2.584 117.377 119.800 0.268 0.000 2.375 242 Q HA 0.531 nan 4.340 nan 0.000 0.271 242 Q C -1.129 175.016 176.000 0.242 0.000 1.074 242 Q CA -0.887 55.048 55.803 0.221 0.000 0.808 242 Q CB 3.306 32.109 28.738 0.109 0.000 1.327 242 Q HN -0.499 7.798 8.270 0.190 0.087 0.441 243 T N 6.254 120.938 114.554 0.217 0.000 2.916 243 T HA 0.338 nan 4.350 nan 0.000 0.298 243 T C -1.655 173.114 174.700 0.115 0.000 1.031 243 T CA -0.898 61.332 62.100 0.216 0.000 0.993 243 T CB 2.829 71.932 68.868 0.391 0.000 1.045 243 T HN 0.319 8.639 8.240 0.132 0.000 0.454 244 N N 4.818 123.580 118.700 0.104 0.000 2.456 244 N HA 0.825 nan 4.740 nan 0.000 0.296 244 N C -1.539 174.030 175.510 0.098 0.000 1.102 244 N CA -0.447 52.651 53.050 0.081 0.000 0.924 244 N CB 2.672 41.196 38.487 0.062 0.000 1.186 244 N HN 0.124 8.876 8.380 0.111 -0.305 0.492 245 I N 2.178 122.815 120.570 0.113 0.000 2.692 245 I HA 0.305 nan 4.170 nan 0.000 0.293 245 I C -2.614 173.606 176.117 0.173 0.000 1.200 245 I CA -1.621 59.760 61.300 0.134 0.000 1.036 245 I CB 3.692 41.767 38.000 0.125 0.000 1.258 245 I HN 0.469 8.750 8.210 0.119 0.000 0.421 246 D N 8.456 128.945 120.400 0.149 0.000 2.217 246 D HA 0.640 nan 4.640 nan 0.000 0.243 246 D C -1.724 174.699 176.300 0.205 0.000 1.054 246 D CA -0.623 53.468 54.000 0.152 0.000 0.838 246 D CB 2.429 43.286 40.800 0.095 0.000 1.162 246 D HN 0.275 8.722 8.370 0.127 0.000 0.472 247 V N 3.601 123.674 119.914 0.265 0.000 2.409 247 V HA 0.732 nan 4.120 nan 0.000 0.291 247 V C -1.197 175.074 176.094 0.295 0.000 1.020 247 V CA -0.956 61.537 62.300 0.322 0.000 0.848 247 V CB 1.844 33.927 31.823 0.434 0.000 0.990 247 V HN 0.783 9.121 8.190 0.245 0.000 0.430 248 I N 5.331 126.094 120.570 0.323 0.000 2.474 248 I HA 0.587 nan 4.170 nan 0.000 0.294 248 I C -1.690 174.720 176.117 0.488 0.000 1.005 248 I CA -1.432 60.054 61.300 0.309 0.000 1.113 248 I CB 2.992 41.109 38.000 0.195 0.000 1.289 248 I HN 0.666 9.065 8.210 0.315 0.000 0.436 249 Y N 6.096 126.479 120.300 0.139 0.000 2.331 249 Y HA 0.521 nan 4.550 nan 0.000 0.334 249 Y C -1.857 174.130 175.900 0.145 0.000 0.960 249 Y CA -2.173 56.027 58.100 0.166 0.000 1.130 249 Y CB 1.832 40.381 38.460 0.148 0.000 1.164 249 Y HN 0.806 9.318 8.280 0.387 0.000 0.458 250 E N 2.348 122.710 120.200 0.269 0.000 2.393 250 E HA 0.848 nan 4.350 nan 0.000 0.273 250 E C -2.394 174.310 176.600 0.172 0.000 0.918 250 E CA -2.319 54.197 56.400 0.192 0.000 0.773 250 E CB 4.681 34.459 29.700 0.130 0.000 1.275 250 E HN 0.954 9.350 8.360 0.240 0.108 0.451 251 R N 0.551 121.112 120.500 0.102 0.000 2.513 251 R HA 0.603 nan 4.340 nan 0.000 0.301 251 R C -2.151 174.123 176.300 -0.044 0.000 0.968 251 R CA -1.023 55.080 56.100 0.005 0.000 0.872 251 R CB 3.422 33.744 30.300 0.036 0.000 1.177 251 R HN 0.455 8.780 8.270 0.092 0.000 0.444 252 V N 7.570 127.417 119.914 -0.112 0.000 2.370 252 V HA 0.568 nan 4.120 nan 0.000 0.279 252 V C -1.435 174.560 176.094 -0.165 0.000 1.029 252 V CA -1.076 61.170 62.300 -0.091 0.000 0.870 252 V CB 1.192 32.964 31.823 -0.085 0.000 0.984 252 V HN 0.532 8.614 8.190 -0.180 0.000 0.451 253 R N 6.220 126.672 120.500 -0.081 0.000 2.514 253 R HA 0.659 nan 4.340 nan 0.000 0.301 253 R C -1.267 174.968 176.300 -0.108 0.000 0.962 253 R CA -1.505 54.522 56.100 -0.122 0.000 0.882 253 R CB 2.821 33.115 30.300 -0.011 0.000 1.143 253 R HN 0.890 9.055 8.270 0.024 0.119 0.452 254 D N 3.110 123.206 120.400 -0.508 0.000 2.332 254 D HA 0.427 nan 4.640 nan 0.000 0.252 254 D C -1.638 174.615 176.300 -0.078 0.000 1.050 254 D CA -0.270 53.459 54.000 -0.452 0.000 0.970 254 D CB 2.307 42.598 40.800 -0.848 0.000 1.141 254 D HN 0.641 8.469 8.370 -0.904 0.000 0.485 255 D N 0.263 120.729 120.400 0.110 0.000 2.441 255 D HA 0.339 nan 4.640 nan 0.000 0.231 255 D C -1.764 174.826 176.300 0.484 0.000 1.073 255 D CA -1.555 52.654 54.000 0.348 0.000 0.850 255 D CB 1.369 42.220 40.800 0.085 0.000 1.062 255 D HN 0.087 8.464 8.370 0.011 0.000 0.524 256 Y N 7.946 128.555 120.300 0.516 0.000 2.385 256 Y HA 0.375 nan 4.550 nan 0.000 0.341 256 Y C -2.176 173.980 175.900 0.426 0.000 0.965 256 Y CA -1.259 57.143 58.100 0.504 0.000 1.180 256 Y CB 1.928 40.743 38.460 0.591 0.000 1.139 256 Y HN 0.752 9.487 8.280 0.758 0.000 0.502 257 Q N 6.232 126.054 119.800 0.036 0.000 2.266 257 Q HA 0.712 nan 4.340 nan 0.000 0.261 257 Q C -1.913 174.060 176.000 -0.045 0.000 0.985 257 Q CA -1.695 54.174 55.803 0.110 0.000 0.873 257 Q CB 3.840 32.671 28.738 0.155 0.000 1.306 257 Q HN 0.899 9.163 8.270 -0.011 0.000 0.447 258 L N 2.205 123.504 121.223 0.127 0.000 2.372 258 L HA 0.636 nan 4.340 nan 0.000 0.274 258 L C -1.924 175.124 176.870 0.296 0.000 0.988 258 L CA -0.753 54.130 54.840 0.072 0.000 0.833 258 L CB 1.693 43.624 42.059 -0.213 0.000 1.236 258 L HN 0.670 9.048 8.230 0.247 0.000 0.410 259 H N 0.965 120.200 119.070 0.274 0.000 2.637 259 H HA 0.633 nan 4.556 nan 0.000 0.363 259 H C -2.238 173.297 175.328 0.345 0.000 1.131 259 H CA -2.303 53.934 56.048 0.316 0.000 1.183 259 H CB 3.285 33.146 29.762 0.165 0.000 1.637 259 H HN 0.506 8.876 8.280 0.150 0.000 0.531 260 W N 5.160 126.459 121.300 -0.002 0.000 2.358 260 W HA 0.029 nan 4.660 nan 0.000 0.307 260 W C -0.587 175.773 176.519 -0.265 0.000 1.203 260 W CA -1.302 55.743 57.345 -0.499 0.000 1.279 260 W CB 0.578 29.505 29.460 -0.889 0.000 1.264 260 W HN 0.340 8.807 8.180 0.479 0.000 0.474 261 T N 5.802 119.844 114.554 -0.853 0.000 3.330 261 T HA 0.089 nan 4.350 nan 0.000 0.249 261 T C 0.750 174.940 174.700 -0.850 0.000 0.980 261 T CA -1.283 60.435 62.100 -0.635 0.000 0.920 261 T CB -0.658 67.935 68.868 -0.458 0.000 1.065 261 T HN 0.533 8.180 8.240 -0.989 0.000 0.588 262 S N -0.807 114.082 115.700 -1.352 0.000 2.608 262 S HA -0.254 nan 4.470 nan 0.000 0.256 262 S C -0.018 174.147 174.600 -0.725 0.000 1.270 262 S CA 2.626 60.410 58.200 -0.693 0.000 1.465 262 S CB -1.242 61.815 63.200 -0.239 0.000 1.833 262 S HN 0.644 7.610 8.310 -2.081 0.096 0.641 263 T N -6.318 107.568 114.554 -1.113 0.000 3.010 263 T HA 0.182 nan 4.350 nan 0.000 0.252 263 T C -0.726 173.445 174.700 -0.882 0.000 0.963 263 T CA 0.285 61.958 62.100 -0.711 0.000 0.952 263 T CB 2.084 70.701 68.868 -0.418 0.000 1.182 263 T HN -0.050 7.287 8.240 -1.312 0.117 0.495 264 N N -0.788 117.152 118.700 -1.267 0.000 3.227 264 N HA 0.263 nan 4.740 nan 0.000 0.241 264 N C -2.289 172.799 175.510 -0.703 0.000 1.480 264 N CA -0.115 52.496 53.050 -0.731 0.000 0.886 264 N CB 1.273 39.630 38.487 -0.216 0.000 1.406 264 N HN -0.763 6.753 8.380 -1.439 0.000 0.514 265 W N -1.110 120.216 121.300 0.043 0.000 2.313 265 W HA 0.183 nan 4.660 nan 0.000 0.328 265 W C -0.435 176.024 176.519 -0.100 0.000 1.197 265 W CA -0.497 56.860 57.345 0.019 0.000 1.235 265 W CB 1.248 30.764 29.460 0.094 0.000 1.158 265 W HN 0.471 8.832 8.180 0.302 0.000 0.578 266 K N 2.416 122.773 120.400 -0.072 0.000 2.545 266 K HA 0.405 nan 4.320 nan 0.000 0.252 266 K C -1.079 175.426 176.600 -0.158 0.000 0.948 266 K CA -0.933 55.216 56.287 -0.229 0.000 0.827 266 K CB 3.264 35.481 32.500 -0.471 0.000 1.128 266 K HN 0.727 8.922 8.250 -0.092 0.000 0.429 267 G N 4.262 112.993 108.800 -0.114 0.000 2.389 267 G HA2 0.746 nan 3.960 nan 0.000 0.328 267 G HA3 0.746 nan 3.960 nan 0.000 0.328 267 G C -2.202 172.662 174.900 -0.060 0.000 1.133 267 G CA -1.433 43.566 45.100 -0.170 0.000 0.891 267 G HN -0.012 8.203 8.290 -0.125 0.000 0.485 268 T N -2.050 112.474 114.554 -0.051 0.000 2.916 268 T HA 0.297 nan 4.350 nan 0.000 0.305 268 T C -2.438 172.373 174.700 0.186 0.000 1.119 268 T CA -1.409 60.840 62.100 0.249 0.000 1.008 268 T CB 2.812 71.874 68.868 0.323 0.000 1.129 268 T HN 0.409 8.475 8.240 -0.290 0.000 0.480 269 N N 1.153 120.065 118.700 0.352 0.000 2.314 269 N HA 0.533 nan 4.740 nan 0.000 0.294 269 N C -0.491 175.183 175.510 0.273 0.000 1.029 269 N CA -0.867 52.438 53.050 0.425 0.000 0.845 269 N CB 2.771 41.613 38.487 0.592 0.000 1.321 269 N HN 0.127 8.744 8.380 0.394 0.000 0.481 270 T N 8.731 123.410 114.554 0.208 0.000 2.756 270 T HA 0.274 nan 4.350 nan 0.000 0.290 270 T C -0.689 174.018 174.700 0.012 0.000 0.985 270 T CA -0.721 61.421 62.100 0.070 0.000 0.955 270 T CB 1.069 69.933 68.868 -0.006 0.000 0.930 270 T HN 0.547 8.834 8.240 0.264 0.111 0.451 271 K N 5.780 126.183 120.400 0.005 0.000 2.355 271 K HA -0.182 nan 4.320 nan 0.000 0.270 271 K C -0.431 176.106 176.600 -0.105 0.000 1.003 271 K CA 1.233 57.498 56.287 -0.038 0.000 0.957 271 K CB 0.336 32.837 32.500 0.002 0.000 0.939 271 K HN 0.502 8.769 8.250 0.028 0.000 0.482 272 D N 1.077 121.398 120.400 -0.131 0.000 2.704 272 D HA -0.405 nan 4.640 nan 0.000 0.232 272 D C -0.486 175.705 176.300 -0.182 0.000 1.183 272 D CA 1.505 55.427 54.000 -0.131 0.000 0.647 272 D CB -2.382 38.366 40.800 -0.086 0.000 1.013 272 D HN 0.378 8.902 8.370 -0.145 -0.241 0.415 273 K N -2.562 117.670 120.400 -0.281 0.000 2.062 273 K HA -0.042 nan 4.320 nan 0.000 0.205 273 K C 0.468 176.733 176.600 -0.558 0.000 1.051 273 K CA 1.849 57.797 56.287 -0.564 0.000 0.941 273 K CB 0.963 32.836 32.500 -1.046 0.000 0.719 273 K HN -0.173 7.927 8.250 -0.249 0.000 0.440 274 W N -2.794 118.419 121.300 -0.146 0.000 2.882 274 W HA 0.209 nan 4.660 nan 0.000 0.345 274 W C -1.532 174.917 176.519 -0.116 0.000 1.125 274 W CA -0.773 56.494 57.345 -0.129 0.000 1.167 274 W CB 2.856 32.221 29.460 -0.159 0.000 1.431 274 W HN -0.254 7.968 8.180 0.069 0.000 0.543 275 T N 2.838 117.487 114.554 0.158 0.000 3.050 275 T HA 0.262 nan 4.350 nan 0.000 0.310 275 T C -1.755 172.984 174.700 0.065 0.000 0.978 275 T CA -0.334 61.810 62.100 0.072 0.000 1.013 275 T CB 2.312 71.204 68.868 0.041 0.000 1.000 275 T HN 0.151 8.508 8.240 0.194 0.000 0.447 276 D N 7.585 128.013 120.400 0.047 0.000 2.313 276 D HA 0.270 nan 4.640 nan 0.000 0.239 276 D C -1.623 174.713 176.300 0.060 0.000 1.142 276 D CA -0.323 53.700 54.000 0.037 0.000 0.847 276 D CB 1.764 42.575 40.800 0.019 0.000 1.082 276 D HN 0.649 9.042 8.370 0.037 0.000 0.480 277 R N 4.877 125.410 120.500 0.055 0.000 2.439 277 R HA 0.415 nan 4.340 nan 0.000 0.310 277 R C -1.459 174.876 176.300 0.059 0.000 0.955 277 R CA -1.163 54.980 56.100 0.072 0.000 0.853 277 R CB 2.173 32.510 30.300 0.062 0.000 1.171 277 R HN 0.328 8.622 8.270 0.040 0.000 0.449 278 S N 6.774 122.524 115.700 0.084 0.000 2.566 278 S HA 0.237 nan 4.470 nan 0.000 0.324 278 S C -1.564 173.070 174.600 0.057 0.000 1.081 278 S CA -1.254 56.971 58.200 0.042 0.000 1.105 278 S CB 0.744 63.955 63.200 0.019 0.000 0.981 278 S HN 0.568 8.958 8.310 0.134 0.000 0.464 279 S N 5.486 121.202 115.700 0.026 0.000 2.578 279 S HA 0.561 nan 4.470 nan 0.000 0.301 279 S C -1.622 172.962 174.600 -0.027 0.000 1.091 279 S CA -1.399 56.821 58.200 0.033 0.000 1.032 279 S CB 1.940 65.160 63.200 0.034 0.000 1.064 279 S HN 0.474 8.788 8.310 0.006 0.000 0.508 280 E N 2.368 122.549 120.200 -0.033 0.000 2.304 280 E HA 0.229 nan 4.350 nan 0.000 0.277 280 E C -2.516 173.952 176.600 -0.220 0.000 0.898 280 E CA -0.523 55.769 56.400 -0.180 0.000 0.764 280 E CB 3.858 33.404 29.700 -0.257 0.000 1.216 280 E HN 0.200 8.583 8.360 0.038 0.000 0.419 281 R N 5.549 125.878 120.500 -0.285 0.000 2.474 281 R HA 0.629 nan 4.340 nan 0.000 0.295 281 R C -1.189 174.893 176.300 -0.363 0.000 0.980 281 R CA -0.650 55.337 56.100 -0.188 0.000 0.934 281 R CB 1.659 31.908 30.300 -0.085 0.000 1.101 281 R HN 0.304 8.409 8.270 -0.274 0.000 0.469 282 Y N 4.100 124.394 120.300 -0.009 0.000 2.499 282 Y HA 0.227 nan 4.550 nan 0.000 0.347 282 Y C -1.745 174.128 175.900 -0.045 0.000 0.987 282 Y CA -1.190 56.891 58.100 -0.033 0.000 1.044 282 Y CB 4.000 42.432 38.460 -0.046 0.000 1.245 282 Y HN 0.768 9.145 8.280 0.161 0.000 0.461 283 K N 1.586 122.043 120.400 0.094 0.000 2.206 283 K HA 0.663 nan 4.320 nan 0.000 0.264 283 K C -1.678 174.894 176.600 -0.048 0.000 0.967 283 K CA -1.567 54.732 56.287 0.020 0.000 0.844 283 K CB 2.446 34.947 32.500 0.003 0.000 1.099 283 K HN 0.818 9.024 8.250 0.104 0.106 0.441 284 I N 6.388 126.900 120.570 -0.096 0.000 2.355 284 I HA 0.257 nan 4.170 nan 0.000 0.288 284 I C -2.070 173.899 176.117 -0.246 0.000 0.999 284 I CA -0.690 60.463 61.300 -0.245 0.000 1.163 284 I CB 1.722 39.464 38.000 -0.430 0.000 1.316 284 I HN 0.687 8.870 8.210 -0.045 0.000 0.454 285 D N 7.890 128.144 120.400 -0.243 0.000 2.443 285 D HA 0.198 nan 4.640 nan 0.000 0.221 285 D C 0.440 176.594 176.300 -0.242 0.000 1.097 285 D CA -1.730 52.171 54.000 -0.165 0.000 0.865 285 D CB 0.726 41.447 40.800 -0.132 0.000 1.034 285 D HN 0.153 8.370 8.370 -0.255 0.000 0.511 286 W N 5.500 126.775 121.300 -0.042 0.000 2.465 286 W HA -0.350 nan 4.660 nan 0.000 0.268 286 W C 1.484 177.931 176.519 -0.121 0.000 1.242 286 W CA 3.031 60.354 57.345 -0.038 0.000 1.248 286 W CB 0.116 29.616 29.460 0.066 0.000 1.118 286 W HN 0.527 8.837 8.180 0.217 0.000 0.587 287 E N -1.735 118.525 120.200 0.100 0.000 2.076 287 E HA -0.269 nan 4.350 nan 0.000 0.190 287 E C 1.917 178.481 176.600 -0.059 0.000 0.979 287 E CA 2.550 58.968 56.400 0.031 0.000 0.807 287 E CB -0.274 29.446 29.700 0.035 0.000 0.761 287 E HN -0.426 8.125 8.360 0.112 -0.125 0.454 288 K N -2.908 117.420 120.400 -0.122 0.000 2.305 288 K HA -0.104 nan 4.320 nan 0.000 0.199 288 K C -0.411 176.005 176.600 -0.306 0.000 1.047 288 K CA 0.302 56.492 56.287 -0.162 0.000 0.976 288 K CB 0.863 33.281 32.500 -0.136 0.000 0.765 288 K HN -0.344 8.188 8.250 -0.113 -0.349 0.474 289 E N -2.954 116.898 120.200 -0.581 0.000 2.302 289 E HA -0.356 nan 4.350 nan 0.000 0.186 289 E C -1.670 174.356 176.600 -0.957 0.000 1.444 289 E CA 1.148 56.783 56.400 -1.274 0.000 0.671 289 E CB -1.893 27.410 29.700 -0.662 0.000 1.122 289 E HN -0.251 7.680 8.360 -0.481 0.141 0.366 290 E N -2.075 117.622 120.200 -0.838 0.000 2.352 290 E HA 0.250 nan 4.350 nan 0.000 0.280 290 E C -2.925 173.498 176.600 -0.294 0.000 0.930 290 E CA -1.470 54.763 56.400 -0.278 0.000 0.765 290 E CB 4.193 33.792 29.700 -0.169 0.000 1.219 290 E HN -0.439 7.325 8.360 -0.993 0.000 0.434 291 M N 4.363 123.713 119.600 -0.417 0.000 2.259 291 M HA 0.635 nan 4.480 nan 0.000 0.304 291 M C -2.054 174.158 176.300 -0.147 0.000 1.019 291 M CA -1.013 53.996 55.300 -0.485 0.000 0.922 291 M CB 3.466 35.383 32.600 -1.139 0.000 1.600 291 M HN -0.045 8.080 8.290 -0.275 0.000 0.433 292 T N 2.497 117.037 114.554 -0.023 0.000 2.906 292 T HA 0.620 nan 4.350 nan 0.000 0.295 292 T C -2.091 172.692 174.700 0.138 0.000 1.061 292 T CA -1.907 60.238 62.100 0.074 0.000 1.000 292 T CB 2.687 71.572 68.868 0.028 0.000 1.103 292 T HN 0.792 9.004 8.240 -0.046 0.000 0.486 293 N N 0.000 118.767 118.700 0.112 0.000 1.763 293 N HA 0.000 nan 4.740 nan 0.000 0.220 293 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 293 N CB 0.000 38.354 38.487 -0.221 0.000 1.341 293 N HN 0.000 8.447 8.380 0.112 0.000 0.667