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 3h2v_1_D DATA FIRST_RESID 884 DATA SEQUENCE EFPEXXXXXV INQPMMMAAR QLHDEARKWS SKGNDIIAAA KRMALLMAEM DATA SEQUENCE SRLVRGGSGT KRALIQCAKD IAKASDEVTR LAKEVAKQCT DKRIRTNLLQ DATA SEQUENCE VCERIPTIST QLKILSTVKA TMLGRTNISD EESEQATEML VHNAQNLMQS DATA SEQUENCE VKETVREAEA ASIKIRTDAG FTLRWVRKTP 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 884 E HA 0.000 nan 4.350 nan 0.000 0.291 884 E C 0.000 176.795 176.600 0.325 0.000 1.382 884 E CA 0.000 56.526 56.400 0.210 0.000 0.976 884 E CB 0.000 29.774 29.700 0.123 0.000 0.812 885 F N -0.533 119.403 119.950 -0.023 0.000 2.835 885 F HA 0.288 4.815 4.527 -0.000 0.000 0.332 885 F C -2.755 173.025 175.800 -0.034 0.000 1.127 885 F CA -0.539 57.412 58.000 -0.081 0.000 0.890 885 F CB 0.395 39.332 39.000 -0.105 0.000 1.480 885 F HN 0.400 nan 8.300 nan 0.000 0.466 886 P HA 0.601 nan 4.420 nan 0.000 0.346 886 P C -1.366 175.951 177.300 0.028 0.000 1.263 886 P CA -0.495 62.588 63.100 -0.028 0.000 0.777 886 P CB 0.936 32.570 31.700 -0.110 0.000 1.541 894 I N -1.587 118.978 120.570 -0.008 0.000 2.433 894 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 894 I C 0.062 176.182 176.117 0.005 0.000 1.001 894 I CA -0.520 60.777 61.300 -0.005 0.000 1.119 894 I CB 1.632 39.623 38.000 -0.015 0.000 1.289 894 I HN 0.172 nan 8.210 nan 0.000 0.438 895 N N 5.320 124.026 118.700 0.010 0.000 2.291 895 N HA -0.167 4.573 4.740 -0.000 0.000 0.281 895 N C 1.358 176.881 175.510 0.022 0.000 1.388 895 N CA 0.600 53.660 53.050 0.017 0.000 0.920 895 N CB 0.421 38.921 38.487 0.022 0.000 1.276 895 N HN 0.813 nan 8.380 nan 0.000 0.493 896 Q N 4.522 124.335 119.800 0.021 0.000 2.047 896 Q HA -0.173 4.167 4.340 -0.000 0.000 0.211 896 Q C -0.971 175.049 176.000 0.033 0.000 1.005 896 Q CA 1.727 57.545 55.803 0.025 0.000 0.866 896 Q CB -0.475 28.276 28.738 0.022 0.000 0.938 896 Q HN 0.539 nan 8.270 nan 0.000 0.414 897 P HA -0.078 nan 4.420 nan 0.000 0.225 897 P C 1.065 178.386 177.300 0.035 0.000 1.156 897 P CA 1.294 64.412 63.100 0.031 0.000 0.787 897 P CB -0.049 31.669 31.700 0.029 0.000 0.802 898 M N -2.179 117.444 119.600 0.038 0.000 2.248 898 M HA 0.002 4.482 4.480 -0.000 0.000 0.265 898 M C 1.954 178.292 176.300 0.063 0.000 1.079 898 M CA 1.385 56.712 55.300 0.044 0.000 1.150 898 M CB -0.690 31.934 32.600 0.040 0.000 1.366 898 M HN -0.040 nan 8.290 nan 0.000 0.433 899 M N -0.315 119.325 119.600 0.066 0.000 2.296 899 M HA -0.150 4.329 4.480 -0.000 0.000 0.265 899 M C 2.161 178.537 176.300 0.127 0.000 1.064 899 M CA 1.386 56.747 55.300 0.102 0.000 1.109 899 M CB -0.746 31.896 32.600 0.070 0.000 1.396 899 M HN 0.265 nan 8.290 nan 0.000 0.430 900 M N 0.113 119.763 119.600 0.083 0.000 2.132 900 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 900 M C 2.098 178.434 176.300 0.060 0.000 1.065 900 M CA 1.722 57.065 55.300 0.072 0.000 1.122 900 M CB -0.584 32.044 32.600 0.046 0.000 1.365 900 M HN 0.197 nan 8.290 nan 0.000 0.411 901 A N -0.727 122.123 122.820 0.050 0.000 1.929 901 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 901 A C 2.304 179.915 177.584 0.044 0.000 1.176 901 A CA 1.479 53.535 52.037 0.033 0.000 0.628 901 A CB -1.205 17.808 19.000 0.021 0.000 0.816 901 A HN 0.543 nan 8.150 nan 0.000 0.444 902 A N 0.208 123.077 122.820 0.082 0.000 1.883 902 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 902 A C 2.237 179.845 177.584 0.039 0.000 1.186 902 A CA 1.915 54.019 52.037 0.112 0.000 0.624 902 A CB -0.500 18.625 19.000 0.208 0.000 0.822 902 A HN 0.558 nan 8.150 nan 0.000 0.444 903 R N -0.554 119.983 120.500 0.061 0.000 2.081 903 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 903 R C 2.340 178.571 176.300 -0.114 0.000 1.131 903 R CA 1.751 57.775 56.100 -0.127 0.000 0.960 903 R CB -0.345 30.019 30.300 0.107 0.000 0.856 903 R HN 0.671 nan 8.270 nan 0.000 0.436 904 Q N 0.088 119.871 119.800 -0.030 0.000 2.124 904 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 904 Q C 2.112 178.092 176.000 -0.034 0.000 0.977 904 Q CA 1.516 57.305 55.803 -0.025 0.000 0.850 904 Q CB -0.104 28.631 28.738 -0.004 0.000 0.901 904 Q HN 0.291 nan 8.270 nan 0.000 0.429 905 L N 0.030 121.237 121.223 -0.027 0.000 1.988 905 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 905 L C 2.363 179.197 176.870 -0.060 0.000 1.071 905 L CA 1.906 56.735 54.840 -0.018 0.000 0.744 905 L CB -0.819 41.245 42.059 0.009 0.000 0.893 905 L HN 0.304 nan 8.230 nan 0.000 0.433 906 H N -0.286 118.658 119.070 -0.210 0.000 2.325 906 H HA -0.231 4.325 4.556 -0.000 0.000 0.293 906 H C 1.690 176.891 175.328 -0.212 0.000 1.106 906 H CA 2.362 58.227 56.048 -0.305 0.000 1.247 906 H CB 0.026 29.321 29.762 -0.778 0.000 1.359 906 H HN 0.468 nan 8.280 nan 0.000 0.488 907 D N 0.056 120.342 120.400 -0.190 0.000 2.117 907 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 907 D C 2.242 178.476 176.300 -0.111 0.000 0.987 907 D CA 1.083 55.002 54.000 -0.135 0.000 0.829 907 D CB -0.344 40.414 40.800 -0.069 0.000 0.961 907 D HN 0.460 nan 8.370 nan 0.000 0.460 908 E N 0.670 120.833 120.200 -0.061 0.000 2.106 908 E HA -0.063 4.286 4.350 -0.000 0.000 0.192 908 E C 1.821 178.482 176.600 0.102 0.000 0.984 908 E CA 1.281 57.694 56.400 0.023 0.000 0.806 908 E CB -0.162 29.571 29.700 0.055 0.000 0.750 908 E HN 0.170 nan 8.360 nan 0.000 0.458 909 A N 0.870 123.707 122.820 0.028 0.000 2.072 909 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 909 A C 1.993 179.595 177.584 0.030 0.000 1.156 909 A CA 1.011 53.111 52.037 0.106 0.000 0.701 909 A CB -0.494 18.512 19.000 0.010 0.000 0.816 909 A HN 0.317 nan 8.150 nan 0.000 0.458 910 R N -0.230 120.163 120.500 -0.179 0.000 2.323 910 R HA 0.123 4.463 4.340 -0.000 0.000 0.198 910 R C 1.155 177.376 176.300 -0.133 0.000 0.988 910 R CA 0.860 56.846 56.100 -0.190 0.000 1.041 910 R CB -0.255 29.869 30.300 -0.293 0.000 0.926 910 R HN 0.306 nan 8.270 nan 0.000 0.476 911 K N 0.150 120.447 120.400 -0.170 0.000 2.288 911 K HA -0.016 4.304 4.320 -0.000 0.000 0.201 911 K C -0.449 175.790 176.600 -0.601 0.000 1.048 911 K CA 0.888 56.912 56.287 -0.439 0.000 0.956 911 K CB 0.122 32.250 32.500 -0.620 0.000 0.746 911 K HN 0.130 nan 8.250 nan 0.000 0.461 912 W N -0.133 121.176 121.300 0.016 0.000 2.799 912 W HA 0.294 4.954 4.660 -0.000 0.000 0.349 912 W C -0.003 176.503 176.519 -0.022 0.000 1.100 912 W CA -0.975 56.389 57.345 0.031 0.000 1.174 912 W CB 0.922 30.440 29.460 0.097 0.000 1.427 912 W HN -0.300 nan 8.180 nan 0.000 0.547 913 S N 0.561 116.401 115.700 0.234 0.000 2.548 913 S HA 0.149 4.619 4.470 -0.000 0.000 0.277 913 S C 0.807 175.432 174.600 0.042 0.000 1.315 913 S CA -0.214 58.044 58.200 0.098 0.000 1.050 913 S CB 0.970 64.212 63.200 0.070 0.000 0.918 913 S HN 0.460 nan 8.310 nan 0.000 0.497 914 S N 3.359 119.066 115.700 0.012 0.000 2.406 914 S HA 0.035 4.505 4.470 -0.000 0.000 0.228 914 S C 0.897 175.463 174.600 -0.058 0.000 1.020 914 S CA 0.397 58.579 58.200 -0.029 0.000 0.965 914 S CB -0.201 62.995 63.200 -0.007 0.000 0.798 914 S HN 0.723 nan 8.310 nan 0.000 0.488 915 K N 2.139 122.518 120.400 -0.035 0.000 2.405 915 K HA -0.018 4.302 4.320 -0.000 0.000 0.273 915 K C 0.989 177.544 176.600 -0.076 0.000 1.116 915 K CA 0.813 57.077 56.287 -0.039 0.000 1.155 915 K CB -0.650 31.839 32.500 -0.018 0.000 0.858 915 K HN 0.420 nan 8.250 nan 0.000 0.477 916 G N 3.567 112.322 108.800 -0.075 0.000 2.160 916 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 916 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 916 G C 0.030 174.823 174.900 -0.178 0.000 1.008 916 G CA 0.405 45.448 45.100 -0.096 0.000 0.724 916 G HN 0.669 nan 8.290 nan 0.000 0.514 917 N N 0.306 118.881 118.700 -0.207 0.000 2.727 917 N HA 0.310 5.050 4.740 -0.000 0.000 0.252 917 N C 0.369 175.760 175.510 -0.199 0.000 1.283 917 N CA -0.462 52.390 53.050 -0.329 0.000 0.782 917 N CB 0.888 39.022 38.487 -0.587 0.000 1.199 917 N HN -0.010 nan 8.380 nan 0.000 0.520 918 D N 1.706 122.046 120.400 -0.099 0.000 2.350 918 D HA 0.036 4.676 4.640 -0.000 0.000 0.216 918 D C 1.816 178.088 176.300 -0.046 0.000 0.968 918 D CA 0.393 54.366 54.000 -0.045 0.000 0.894 918 D CB 0.657 41.457 40.800 -0.000 0.000 0.909 918 D HN 0.604 nan 8.370 nan 0.000 0.520 919 I N 0.417 120.935 120.570 -0.087 0.000 2.286 919 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 919 I C 1.952 178.034 176.117 -0.058 0.000 1.104 919 I CA 0.598 61.866 61.300 -0.054 0.000 1.397 919 I CB 0.081 38.056 38.000 -0.041 0.000 1.072 919 I HN -0.004 nan 8.210 nan 0.000 0.417 920 I N 0.960 121.454 120.570 -0.126 0.000 2.353 920 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 920 I C 2.863 178.966 176.117 -0.023 0.000 1.119 920 I CA 1.199 62.462 61.300 -0.062 0.000 1.417 920 I CB -1.423 36.528 38.000 -0.083 0.000 1.078 920 I HN 0.120 nan 8.210 nan 0.000 0.421 921 A N 1.279 124.078 122.820 -0.035 0.000 1.902 921 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 921 A C 2.607 180.199 177.584 0.013 0.000 1.181 921 A CA 2.051 54.085 52.037 -0.006 0.000 0.623 921 A CB -0.701 18.291 19.000 -0.013 0.000 0.818 921 A HN 0.405 nan 8.150 nan 0.000 0.443 922 A N -0.183 122.642 122.820 0.007 0.000 1.873 922 A HA 0.197 4.517 4.320 -0.000 0.000 0.215 922 A C 2.548 180.151 177.584 0.032 0.000 1.186 922 A CA 2.116 54.164 52.037 0.019 0.000 0.616 922 A CB -1.156 17.853 19.000 0.014 0.000 0.823 922 A HN 1.079 nan 8.150 nan 0.000 0.442 923 A N -0.103 122.734 122.820 0.029 0.000 1.883 923 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 923 A C 2.114 179.730 177.584 0.053 0.000 1.186 923 A CA 2.035 54.095 52.037 0.038 0.000 0.624 923 A CB -0.534 18.487 19.000 0.036 0.000 0.822 923 A HN 0.543 nan 8.150 nan 0.000 0.444 924 K N -0.887 119.544 120.400 0.052 0.000 2.103 924 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 924 K C 2.395 179.082 176.600 0.144 0.000 1.048 924 K CA 1.510 57.861 56.287 0.107 0.000 0.930 924 K CB -0.176 32.376 32.500 0.086 0.000 0.716 924 K HN 0.392 nan 8.250 nan 0.000 0.444 925 R N 0.397 120.953 120.500 0.093 0.000 2.070 925 R HA -0.056 4.284 4.340 -0.000 0.000 0.233 925 R C 2.410 178.761 176.300 0.084 0.000 1.137 925 R CA 1.711 57.861 56.100 0.083 0.000 0.945 925 R CB -0.207 30.126 30.300 0.055 0.000 0.845 925 R HN 0.181 nan 8.270 nan 0.000 0.430 926 M N -0.104 119.539 119.600 0.071 0.000 2.073 926 M HA -0.237 4.243 4.480 -0.000 0.000 0.258 926 M C 2.529 178.882 176.300 0.088 0.000 1.070 926 M CA 2.058 57.398 55.300 0.066 0.000 1.103 926 M CB -0.488 32.143 32.600 0.053 0.000 1.321 926 M HN 0.270 nan 8.290 nan 0.000 0.405 927 A N 0.159 123.045 122.820 0.109 0.000 1.927 927 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 927 A C 2.027 179.727 177.584 0.194 0.000 1.185 927 A CA 1.632 53.754 52.037 0.141 0.000 0.639 927 A CB -0.796 18.296 19.000 0.154 0.000 0.820 927 A HN 0.391 nan 8.150 nan 0.000 0.451 928 L N -0.890 120.445 121.223 0.188 0.000 2.156 928 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 928 L C 2.326 179.255 176.870 0.098 0.000 1.095 928 L CA 1.352 56.290 54.840 0.163 0.000 0.770 928 L CB -0.958 41.182 42.059 0.135 0.000 0.914 928 L HN 0.389 nan 8.230 nan 0.000 0.439 929 L N -2.158 119.115 121.223 0.084 0.000 2.313 929 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 929 L C 2.284 179.189 176.870 0.058 0.000 1.119 929 L CA 0.356 55.231 54.840 0.058 0.000 0.809 929 L CB -0.356 41.733 42.059 0.049 0.000 0.933 929 L HN 0.226 nan 8.230 nan 0.000 0.449 930 M N -0.061 119.586 119.600 0.077 0.000 2.254 930 M HA -0.019 4.460 4.480 -0.000 0.000 0.265 930 M C 2.245 178.591 176.300 0.078 0.000 1.066 930 M CA 1.675 57.020 55.300 0.074 0.000 1.123 930 M CB -0.361 32.290 32.600 0.086 0.000 1.388 930 M HN 0.168 nan 8.290 nan 0.000 0.425 931 A N -0.329 122.552 122.820 0.101 0.000 1.898 931 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 931 A C 2.091 179.686 177.584 0.019 0.000 1.181 931 A CA 1.925 54.004 52.037 0.070 0.000 0.620 931 A CB -0.980 18.055 19.000 0.059 0.000 0.819 931 A HN 0.683 nan 8.150 nan 0.000 0.442 932 E N -0.697 119.516 120.200 0.021 0.000 2.077 932 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 932 E C 1.979 178.586 176.600 0.011 0.000 0.989 932 E CA 1.568 57.972 56.400 0.007 0.000 0.800 932 E CB -0.265 29.442 29.700 0.011 0.000 0.746 932 E HN 0.601 nan 8.360 nan 0.000 0.452 933 M N 0.926 120.540 119.600 0.023 0.000 2.117 933 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 933 M C 2.296 178.608 176.300 0.019 0.000 1.065 933 M CA 2.144 57.457 55.300 0.022 0.000 1.114 933 M CB -0.079 32.539 32.600 0.029 0.000 1.361 933 M HN 0.263 nan 8.290 nan 0.000 0.408 934 S N -0.005 115.708 115.700 0.022 0.000 2.382 934 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 934 S C 1.869 176.474 174.600 0.008 0.000 1.027 934 S CA 1.126 59.337 58.200 0.018 0.000 0.991 934 S CB -0.665 62.549 63.200 0.023 0.000 0.823 934 S HN 0.543 nan 8.310 nan 0.000 0.469 935 R N 1.037 121.537 120.500 0.001 0.000 2.070 935 R HA 0.117 4.457 4.340 -0.000 0.000 0.232 935 R C 2.441 178.740 176.300 -0.001 0.000 1.138 935 R CA 1.626 57.722 56.100 -0.006 0.000 0.936 935 R CB -0.802 29.489 30.300 -0.015 0.000 0.839 935 R HN 0.374 nan 8.270 nan 0.000 0.429 936 L N 0.525 121.749 121.223 0.002 0.000 2.129 936 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 936 L C 2.269 179.143 176.870 0.007 0.000 1.087 936 L CA 0.802 55.645 54.840 0.004 0.000 0.757 936 L CB -0.383 41.680 42.059 0.007 0.000 0.896 936 L HN 0.097 nan 8.230 nan 0.000 0.434 937 V N 0.050 119.969 119.914 0.009 0.000 3.383 937 V HA -0.163 3.957 4.120 -0.000 0.000 0.272 937 V C 2.231 178.330 176.094 0.008 0.000 1.181 937 V CA 1.221 63.528 62.300 0.011 0.000 1.171 937 V CB -0.686 31.146 31.823 0.016 0.000 0.800 937 V HN 0.449 nan 8.190 nan 0.000 0.515 938 R N -0.819 119.684 120.500 0.005 0.000 2.221 938 R HA 0.245 4.585 4.340 -0.000 0.000 0.195 938 R C 2.342 178.644 176.300 0.002 0.000 0.956 938 R CA 0.890 56.992 56.100 0.004 0.000 1.064 938 R CB -1.336 28.965 30.300 0.001 0.000 1.049 938 R HN 0.388 nan 8.270 nan 0.000 0.534 939 G N 1.361 110.162 108.800 0.001 0.000 3.404 939 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.229 939 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.229 939 G C 1.303 176.203 174.900 0.001 0.000 1.063 939 G CA 2.773 47.874 45.100 0.001 0.000 0.708 939 G HN 0.624 nan 8.290 nan 0.000 0.707 940 G N -1.560 107.241 108.800 0.002 0.000 5.266 940 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.262 940 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.262 940 G C 0.532 175.433 174.900 0.002 0.000 1.359 940 G CA 1.566 46.667 45.100 0.002 0.000 0.955 940 G HN 2.008 nan 8.290 nan 0.000 0.754 941 S N -1.568 114.133 115.700 0.001 0.000 2.633 941 S HA 0.527 4.997 4.470 -0.000 0.000 0.271 941 S C 0.072 174.672 174.600 0.001 0.000 1.112 941 S CA 0.620 58.821 58.200 0.002 0.000 0.828 941 S CB 0.735 63.936 63.200 0.002 0.000 1.086 941 S HN 1.876 nan 8.310 nan 0.000 0.461 942 G N 1.726 110.527 108.800 0.001 0.000 3.541 942 G HA2 0.328 4.288 3.960 -0.000 0.000 0.253 942 G HA3 0.328 4.288 3.960 -0.000 0.000 0.253 942 G C 0.953 175.854 174.900 0.002 0.000 1.017 942 G CA 0.388 45.489 45.100 0.001 0.000 1.832 942 G HN 0.905 nan 8.290 nan 0.000 0.649 943 T N -1.593 112.962 114.554 0.002 0.000 3.085 943 T HA -0.042 4.308 4.350 -0.000 0.000 0.263 943 T C 2.151 176.854 174.700 0.005 0.000 1.127 943 T CA 0.672 62.774 62.100 0.003 0.000 1.103 943 T CB 0.068 68.938 68.868 0.003 0.000 0.921 943 T HN 0.483 nan 8.240 nan 0.000 0.510 944 K N 2.081 122.484 120.400 0.004 0.000 2.001 944 K HA -0.083 4.236 4.320 -0.000 0.000 0.214 944 K C 2.514 179.117 176.600 0.005 0.000 1.050 944 K CA 1.160 57.450 56.287 0.005 0.000 0.934 944 K CB -0.353 32.150 32.500 0.004 0.000 0.718 944 K HN 0.167 nan 8.250 nan 0.000 0.443 945 R N 0.527 121.029 120.500 0.004 0.000 2.081 945 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 945 R C 2.601 178.904 176.300 0.005 0.000 1.131 945 R CA 1.311 57.414 56.100 0.005 0.000 0.960 945 R CB -0.598 29.704 30.300 0.004 0.000 0.856 945 R HN 0.392 nan 8.270 nan 0.000 0.436 946 A N 1.561 124.384 122.820 0.005 0.000 1.835 946 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 946 A C 2.083 179.671 177.584 0.008 0.000 1.199 946 A CA 1.141 53.182 52.037 0.006 0.000 0.615 946 A CB -0.787 18.216 19.000 0.005 0.000 0.838 946 A HN 0.218 nan 8.150 nan 0.000 0.444 947 L N -0.228 121.000 121.223 0.008 0.000 2.034 947 L HA -0.238 4.102 4.340 -0.000 0.000 0.217 947 L C 2.272 179.149 176.870 0.012 0.000 1.077 947 L CA 2.078 56.924 54.840 0.011 0.000 0.769 947 L CB -0.767 41.298 42.059 0.010 0.000 0.890 947 L HN 0.454 nan 8.230 nan 0.000 0.435 948 I N -1.341 119.235 120.570 0.010 0.000 2.113 948 I HA -0.309 3.861 4.170 -0.000 0.000 0.238 948 I C 2.536 178.660 176.117 0.010 0.000 1.070 948 I CA 1.395 62.701 61.300 0.010 0.000 1.332 948 I CB -0.369 37.636 38.000 0.008 0.000 1.044 948 I HN 0.315 nan 8.210 nan 0.000 0.402 949 Q N -0.070 119.736 119.800 0.009 0.000 2.152 949 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 949 Q C 2.374 178.382 176.000 0.012 0.000 0.985 949 Q CA 1.997 57.806 55.803 0.010 0.000 0.863 949 Q CB -0.982 27.761 28.738 0.008 0.000 0.904 949 Q HN 0.658 nan 8.270 nan 0.000 0.422 950 C N -0.590 118.718 119.300 0.013 0.000 2.429 950 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 950 C C 2.592 177.593 174.990 0.019 0.000 1.262 950 C CA 1.153 60.181 59.018 0.017 0.000 1.733 950 C CB -1.293 26.457 27.740 0.017 0.000 2.010 950 C HN 0.587 nan 8.230 nan 0.000 0.483 951 A N -0.121 122.710 122.820 0.018 0.000 2.014 951 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 951 A C 2.258 179.852 177.584 0.017 0.000 1.163 951 A CA 1.358 53.406 52.037 0.019 0.000 0.652 951 A CB -0.503 18.508 19.000 0.018 0.000 0.808 951 A HN 0.751 nan 8.150 nan 0.000 0.449 952 K N -0.323 120.085 120.400 0.015 0.000 2.103 952 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 952 K C 1.346 177.955 176.600 0.014 0.000 1.052 952 K CA 1.331 57.626 56.287 0.013 0.000 0.945 952 K CB -0.202 32.304 32.500 0.010 0.000 0.722 952 K HN 0.351 nan 8.250 nan 0.000 0.443 953 D N 1.242 121.651 120.400 0.015 0.000 2.092 953 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 953 D C 1.867 178.179 176.300 0.020 0.000 0.994 953 D CA 1.038 55.048 54.000 0.017 0.000 0.828 953 D CB -0.283 40.529 40.800 0.019 0.000 0.963 953 D HN 0.086 nan 8.370 nan 0.000 0.450 954 I N 0.964 121.547 120.570 0.023 0.000 2.194 954 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 954 I C 2.343 178.473 176.117 0.023 0.000 1.093 954 I CA 1.364 62.679 61.300 0.026 0.000 1.355 954 I CB -0.147 37.870 38.000 0.029 0.000 1.046 954 I HN -0.043 nan 8.210 nan 0.000 0.413 955 A N -0.044 122.788 122.820 0.019 0.000 1.969 955 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 955 A C 2.356 179.948 177.584 0.014 0.000 1.169 955 A CA 1.596 53.643 52.037 0.016 0.000 0.635 955 A CB -0.465 18.544 19.000 0.015 0.000 0.810 955 A HN 0.328 nan 8.150 nan 0.000 0.445 956 K N -0.292 120.116 120.400 0.013 0.000 2.009 956 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 956 K C 2.254 178.861 176.600 0.011 0.000 1.049 956 K CA 1.256 57.549 56.287 0.010 0.000 0.929 956 K CB -0.342 32.163 32.500 0.009 0.000 0.714 956 K HN 0.390 nan 8.250 nan 0.000 0.440 957 A N 0.886 123.716 122.820 0.016 0.000 1.908 957 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 957 A C 2.131 179.726 177.584 0.019 0.000 1.181 957 A CA 2.409 54.457 52.037 0.019 0.000 0.627 957 A CB -0.723 18.293 19.000 0.026 0.000 0.818 957 A HN 0.460 nan 8.150 nan 0.000 0.445 958 S N 0.517 116.229 115.700 0.020 0.000 2.356 958 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 958 S C 1.527 176.136 174.600 0.016 0.000 1.032 958 S CA 1.218 59.430 58.200 0.020 0.000 1.005 958 S CB -0.607 62.605 63.200 0.019 0.000 0.867 958 S HN 0.588 nan 8.310 nan 0.000 0.449 959 D N 1.283 121.690 120.400 0.012 0.000 2.172 959 D HA -0.125 4.514 4.640 -0.000 0.000 0.196 959 D C 1.817 178.119 176.300 0.004 0.000 0.999 959 D CA 1.222 55.226 54.000 0.007 0.000 0.856 959 D CB -0.206 40.596 40.800 0.004 0.000 0.934 959 D HN 0.330 nan 8.370 nan 0.000 0.453 960 E N -0.130 120.074 120.200 0.005 0.000 2.230 960 E HA -0.017 4.332 4.350 -0.000 0.000 0.192 960 E C 2.387 178.994 176.600 0.012 0.000 0.987 960 E CA -0.019 56.382 56.400 0.002 0.000 0.841 960 E CB -0.240 29.460 29.700 -0.000 0.000 0.783 960 E HN 0.132 nan 8.360 nan 0.000 0.481 961 V N 0.996 120.921 119.914 0.019 0.000 2.307 961 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 961 V C 2.092 178.206 176.094 0.034 0.000 1.045 961 V CA 2.160 64.478 62.300 0.030 0.000 1.024 961 V CB -0.875 30.967 31.823 0.031 0.000 0.651 961 V HN 0.290 nan 8.190 nan 0.000 0.449 962 T N -0.008 114.561 114.554 0.025 0.000 2.643 962 T HA -0.266 4.084 4.350 -0.000 0.000 0.264 962 T C 2.001 176.715 174.700 0.023 0.000 1.045 962 T CA 1.876 63.991 62.100 0.024 0.000 1.155 962 T CB -0.361 68.516 68.868 0.016 0.000 0.863 962 T HN 0.374 nan 8.240 nan 0.000 0.420 963 R N 0.695 121.201 120.500 0.010 0.000 2.113 963 R HA -0.127 4.212 4.340 -0.000 0.000 0.244 963 R C 2.345 178.647 176.300 0.004 0.000 1.142 963 R CA 1.549 57.647 56.100 -0.004 0.000 0.953 963 R CB -0.501 29.785 30.300 -0.023 0.000 0.860 963 R HN 0.397 nan 8.270 nan 0.000 0.438 964 L N -0.403 120.837 121.223 0.030 0.000 2.131 964 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 964 L C 2.684 179.648 176.870 0.157 0.000 1.087 964 L CA 0.873 55.772 54.840 0.099 0.000 0.767 964 L CB -0.432 41.703 42.059 0.126 0.000 0.917 964 L HN 0.297 nan 8.230 nan 0.000 0.441 965 A N 0.033 122.915 122.820 0.103 0.000 2.019 965 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 965 A C 2.329 179.964 177.584 0.086 0.000 1.164 965 A CA 1.540 53.635 52.037 0.095 0.000 0.644 965 A CB -0.287 18.752 19.000 0.064 0.000 0.805 965 A HN 0.290 nan 8.150 nan 0.000 0.449 966 K N -0.920 119.521 120.400 0.069 0.000 2.167 966 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 966 K C 1.882 178.526 176.600 0.074 0.000 1.052 966 K CA 0.931 57.250 56.287 0.053 0.000 0.956 966 K CB -0.000 32.517 32.500 0.028 0.000 0.735 966 K HN 0.248 nan 8.250 nan 0.000 0.451 967 E N 0.600 120.863 120.200 0.105 0.000 2.208 967 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 967 E C 1.863 178.615 176.600 0.254 0.000 0.988 967 E CA 0.605 57.098 56.400 0.156 0.000 0.828 967 E CB 0.072 29.823 29.700 0.085 0.000 0.763 967 E HN 0.008 nan 8.360 nan 0.000 0.478 968 V N 0.847 120.903 119.914 0.235 0.000 2.323 968 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 968 V C 2.396 178.540 176.094 0.083 0.000 1.041 968 V CA 1.685 64.073 62.300 0.145 0.000 1.025 968 V CB -0.761 31.132 31.823 0.117 0.000 0.656 968 V HN 0.257 nan 8.190 nan 0.000 0.451 969 A N -0.367 122.495 122.820 0.071 0.000 1.933 969 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 969 A C 2.314 179.922 177.584 0.040 0.000 1.175 969 A CA 2.017 54.078 52.037 0.041 0.000 0.628 969 A CB -0.476 18.544 19.000 0.033 0.000 0.814 969 A HN 0.495 nan 8.150 nan 0.000 0.444 970 K N -1.315 119.118 120.400 0.055 0.000 2.362 970 K HA -0.139 4.181 4.320 -0.000 0.000 0.200 970 K C 1.832 178.462 176.600 0.050 0.000 1.046 970 K CA 1.283 57.599 56.287 0.048 0.000 0.952 970 K CB 0.008 32.539 32.500 0.051 0.000 0.753 970 K HN 0.359 nan 8.250 nan 0.000 0.466 971 Q N -0.124 119.713 119.800 0.062 0.000 2.391 971 Q HA 0.084 4.424 4.340 -0.000 0.000 0.211 971 Q C 0.032 176.046 176.000 0.024 0.000 0.908 971 Q CA 0.117 55.950 55.803 0.050 0.000 0.920 971 Q CB 0.136 28.913 28.738 0.065 0.000 1.056 971 Q HN 0.268 nan 8.270 nan 0.000 0.523 972 C N 1.005 120.316 119.300 0.018 0.000 2.662 972 C HA 0.192 4.652 4.460 -0.000 0.000 0.420 972 C C 1.726 176.717 174.990 0.002 0.000 1.314 972 C CA 0.909 59.928 59.018 0.003 0.000 1.963 972 C CB 0.116 27.854 27.740 -0.003 0.000 2.686 972 C HN 0.661 nan 8.230 nan 0.000 0.609 973 T N -0.479 114.073 114.554 -0.004 0.000 3.129 973 T HA 0.178 4.527 4.350 -0.000 0.000 0.267 973 T C -0.307 174.389 174.700 -0.007 0.000 1.018 973 T CA -0.094 62.004 62.100 -0.003 0.000 0.903 973 T CB -0.242 68.624 68.868 -0.003 0.000 1.067 973 T HN 0.719 nan 8.240 nan 0.000 0.549 974 D N 1.426 121.819 120.400 -0.011 0.000 2.460 974 D HA 0.306 4.946 4.640 -0.000 0.000 0.232 974 D C 1.046 177.339 176.300 -0.012 0.000 1.079 974 D CA -0.586 53.406 54.000 -0.014 0.000 0.864 974 D CB 1.461 42.248 40.800 -0.021 0.000 1.048 974 D HN 0.010 nan 8.370 nan 0.000 0.523 975 K N 2.649 123.043 120.400 -0.009 0.000 2.127 975 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 975 K C 1.618 178.212 176.600 -0.010 0.000 1.047 975 K CA 0.961 57.243 56.287 -0.007 0.000 0.927 975 K CB 0.288 32.784 32.500 -0.005 0.000 0.716 975 K HN 0.156 nan 8.250 nan 0.000 0.450 976 R N 1.368 121.861 120.500 -0.012 0.000 2.088 976 R HA -0.117 4.222 4.340 -0.000 0.000 0.232 976 R C 2.148 178.438 176.300 -0.018 0.000 1.136 976 R CA 1.611 57.703 56.100 -0.014 0.000 0.926 976 R CB -0.875 29.415 30.300 -0.017 0.000 0.837 976 R HN 0.198 nan 8.270 nan 0.000 0.429 977 I N 0.710 121.266 120.570 -0.023 0.000 2.163 977 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 977 I C 2.436 178.539 176.117 -0.022 0.000 1.081 977 I CA 1.140 62.422 61.300 -0.029 0.000 1.353 977 I CB -1.301 36.673 38.000 -0.042 0.000 1.054 977 I HN 0.271 nan 8.210 nan 0.000 0.407 978 R N 0.557 121.047 120.500 -0.016 0.000 2.185 978 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 978 R C 2.093 178.391 176.300 -0.004 0.000 1.159 978 R CA 2.040 58.136 56.100 -0.007 0.000 0.988 978 R CB -0.157 30.142 30.300 -0.002 0.000 0.871 978 R HN 0.380 nan 8.270 nan 0.000 0.458 979 T N 0.050 114.600 114.554 -0.007 0.000 2.809 979 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 979 T C 1.385 176.081 174.700 -0.006 0.000 1.039 979 T CA 1.424 63.521 62.100 -0.005 0.000 1.141 979 T CB -0.204 68.661 68.868 -0.005 0.000 0.869 979 T HN 0.511 nan 8.240 nan 0.000 0.437 980 N N 1.140 119.834 118.700 -0.011 0.000 2.069 980 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 980 N C 1.746 177.250 175.510 -0.010 0.000 1.031 980 N CA 0.755 53.797 53.050 -0.012 0.000 0.852 980 N CB -0.265 38.210 38.487 -0.019 0.000 1.018 980 N HN 0.075 nan 8.380 nan 0.000 0.423 981 L N 1.590 122.806 121.223 -0.012 0.000 2.013 981 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 981 L C 1.877 178.749 176.870 0.004 0.000 1.073 981 L CA 1.523 56.360 54.840 -0.005 0.000 0.753 981 L CB -0.601 41.455 42.059 -0.004 0.000 0.890 981 L HN 0.246 nan 8.230 nan 0.000 0.432 982 L N -1.214 120.012 121.223 0.005 0.000 2.093 982 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 982 L C 2.600 179.474 176.870 0.007 0.000 1.085 982 L CA 1.392 56.237 54.840 0.009 0.000 0.755 982 L CB -0.616 41.448 42.059 0.008 0.000 0.904 982 L HN 0.503 nan 8.230 nan 0.000 0.435 983 Q N 0.678 120.480 119.800 0.004 0.000 1.975 983 Q HA -0.220 4.120 4.340 -0.000 0.000 0.205 983 Q C 2.239 178.242 176.000 0.005 0.000 0.990 983 Q CA 3.059 58.865 55.803 0.004 0.000 0.845 983 Q CB -0.224 28.515 28.738 0.001 0.000 0.913 983 Q HN 0.471 nan 8.270 nan 0.000 0.420 984 V N -0.039 119.877 119.914 0.003 0.000 2.594 984 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 984 V C 2.451 178.551 176.094 0.009 0.000 1.069 984 V CA 1.677 63.980 62.300 0.005 0.000 1.082 984 V CB -1.700 30.123 31.823 0.001 0.000 0.680 984 V HN 0.682 nan 8.190 nan 0.000 0.469 985 C N -1.326 117.980 119.300 0.011 0.000 2.697 985 C HA 0.357 4.817 4.460 -0.000 0.000 0.267 985 C C 2.128 177.126 174.990 0.014 0.000 1.278 985 C CA 0.012 59.040 59.018 0.015 0.000 1.708 985 C CB -0.696 27.056 27.740 0.021 0.000 1.860 985 C HN 0.513 nan 8.230 nan 0.000 0.589 986 E N 2.168 122.375 120.200 0.012 0.000 2.076 986 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 986 E C 2.431 179.038 176.600 0.012 0.000 0.979 986 E CA 0.975 57.382 56.400 0.011 0.000 0.807 986 E CB -0.365 29.341 29.700 0.010 0.000 0.761 986 E HN 0.757 nan 8.360 nan 0.000 0.454 987 R N 0.717 121.224 120.500 0.012 0.000 2.148 987 R HA 0.023 4.363 4.340 -0.000 0.000 0.227 987 R C 2.491 178.800 176.300 0.015 0.000 1.103 987 R CA 0.766 56.875 56.100 0.014 0.000 0.983 987 R CB -0.606 29.703 30.300 0.014 0.000 0.874 987 R HN 0.176 nan 8.270 nan 0.000 0.451 988 I N 1.806 122.385 120.570 0.015 0.000 2.113 988 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 988 I C -0.572 175.554 176.117 0.016 0.000 1.064 988 I CA 1.792 63.102 61.300 0.016 0.000 1.320 988 I CB -1.618 36.392 38.000 0.017 0.000 1.028 988 I HN 0.090 nan 8.210 nan 0.000 0.406 989 P HA -0.139 nan 4.420 nan 0.000 0.215 989 P C 1.651 178.960 177.300 0.015 0.000 1.157 989 P CA 1.804 64.912 63.100 0.013 0.000 0.868 989 P CB -0.199 31.507 31.700 0.011 0.000 0.788 990 T N -0.124 114.440 114.554 0.015 0.000 2.643 990 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 990 T C 1.805 176.518 174.700 0.021 0.000 1.045 990 T CA 1.363 63.474 62.100 0.017 0.000 1.155 990 T CB -1.170 67.708 68.868 0.017 0.000 0.863 990 T HN 0.039 nan 8.240 nan 0.000 0.420 991 I N 2.278 122.862 120.570 0.023 0.000 2.194 991 I HA -0.235 3.935 4.170 -0.000 0.000 0.246 991 I C 2.798 178.930 176.117 0.026 0.000 1.093 991 I CA 1.635 62.952 61.300 0.027 0.000 1.355 991 I CB -0.606 37.408 38.000 0.023 0.000 1.046 991 I HN 0.323 nan 8.210 nan 0.000 0.413 992 S N -1.058 114.655 115.700 0.022 0.000 2.447 992 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 992 S C 1.920 176.532 174.600 0.020 0.000 1.006 992 S CA 1.473 59.685 58.200 0.021 0.000 0.957 992 S CB -0.701 62.510 63.200 0.019 0.000 0.773 992 S HN 0.389 nan 8.310 nan 0.000 0.507 993 T N 2.295 116.860 114.554 0.019 0.000 2.851 993 T HA 0.022 4.372 4.350 -0.000 0.000 0.262 993 T C 1.975 176.686 174.700 0.019 0.000 1.043 993 T CA 1.127 63.237 62.100 0.017 0.000 1.140 993 T CB -0.273 68.603 68.868 0.015 0.000 0.872 993 T HN 0.505 nan 8.240 nan 0.000 0.446 994 Q N 0.396 120.210 119.800 0.023 0.000 2.096 994 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 994 Q C 2.326 178.343 176.000 0.028 0.000 0.982 994 Q CA 1.139 56.958 55.803 0.027 0.000 0.850 994 Q CB -0.394 28.365 28.738 0.036 0.000 0.901 994 Q HN 0.328 nan 8.270 nan 0.000 0.422 995 L N 1.358 122.599 121.223 0.030 0.000 2.042 995 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 995 L C 2.016 178.901 176.870 0.024 0.000 1.076 995 L CA 1.776 56.634 54.840 0.029 0.000 0.749 995 L CB -0.160 41.916 42.059 0.029 0.000 0.893 995 L HN 0.036 nan 8.230 nan 0.000 0.432 996 K N -0.628 119.785 120.400 0.020 0.000 2.097 996 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 996 K C 2.098 178.708 176.600 0.015 0.000 1.050 996 K CA 1.699 57.996 56.287 0.017 0.000 0.938 996 K CB -0.250 32.259 32.500 0.014 0.000 0.718 996 K HN 0.383 nan 8.250 nan 0.000 0.442 997 I N 1.157 121.736 120.570 0.016 0.000 2.233 997 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 997 I C 2.228 178.354 176.117 0.015 0.000 1.093 997 I CA 1.059 62.367 61.300 0.014 0.000 1.380 997 I CB -0.207 37.801 38.000 0.013 0.000 1.067 997 I HN 0.077 nan 8.210 nan 0.000 0.413 998 L N 0.420 121.654 121.223 0.018 0.000 2.083 998 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 998 L C 2.755 179.636 176.870 0.018 0.000 1.083 998 L CA 1.640 56.492 54.840 0.020 0.000 0.752 998 L CB -0.625 41.451 42.059 0.027 0.000 0.899 998 L HN 0.361 nan 8.230 nan 0.000 0.433 999 S N -2.120 113.591 115.700 0.019 0.000 2.406 999 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 999 S C 1.914 176.523 174.600 0.014 0.000 1.020 999 S CA 1.292 59.502 58.200 0.017 0.000 0.965 999 S CB -0.546 62.665 63.200 0.018 0.000 0.798 999 S HN 0.303 nan 8.310 nan 0.000 0.488 1000 T N 2.818 117.379 114.554 0.012 0.000 2.737 1000 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 1000 T C 2.109 176.814 174.700 0.009 0.000 1.038 1000 T CA 1.520 63.626 62.100 0.010 0.000 1.144 1000 T CB -0.771 68.102 68.868 0.009 0.000 0.866 1000 T HN 0.487 nan 8.240 nan 0.000 0.434 1001 V N 1.410 121.329 119.914 0.009 0.000 2.287 1001 V HA -0.212 3.907 4.120 -0.000 0.000 0.248 1001 V C 2.310 178.408 176.094 0.008 0.000 1.053 1001 V CA 2.402 64.707 62.300 0.008 0.000 1.027 1001 V CB -0.710 31.117 31.823 0.007 0.000 0.646 1001 V HN 0.317 nan 8.190 nan 0.000 0.447 1002 K N 1.072 121.478 120.400 0.010 0.000 2.103 1002 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 1002 K C 2.121 178.726 176.600 0.009 0.000 1.048 1002 K CA 1.916 58.209 56.287 0.010 0.000 0.930 1002 K CB -0.877 31.631 32.500 0.013 0.000 0.716 1002 K HN 0.670 nan 8.250 nan 0.000 0.444 1003 A N -0.083 122.742 122.820 0.009 0.000 1.873 1003 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 1003 A C 2.342 179.930 177.584 0.006 0.000 1.186 1003 A CA 2.365 54.406 52.037 0.007 0.000 0.616 1003 A CB -1.470 17.534 19.000 0.008 0.000 0.823 1003 A HN 0.600 nan 8.150 nan 0.000 0.442 1004 T N -2.536 112.022 114.554 0.006 0.000 2.867 1004 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 1004 T C 1.901 176.604 174.700 0.004 0.000 1.057 1004 T CA 1.712 63.815 62.100 0.005 0.000 1.136 1004 T CB -0.404 68.466 68.868 0.004 0.000 0.874 1004 T HN 0.328 nan 8.240 nan 0.000 0.466 1005 M N 0.442 120.045 119.600 0.005 0.000 2.159 1005 M HA 0.166 4.646 4.480 -0.000 0.000 0.263 1005 M C 0.491 176.794 176.300 0.004 0.000 1.063 1005 M CA 0.829 56.132 55.300 0.005 0.000 1.110 1005 M CB -0.421 32.183 32.600 0.005 0.000 1.374 1005 M HN 0.285 nan 8.290 nan 0.000 0.411 1006 L N 0.492 121.718 121.223 0.005 0.000 2.578 1006 L HA -0.069 4.271 4.340 -0.000 0.000 0.279 1006 L C 1.375 178.247 176.870 0.003 0.000 1.227 1006 L CA 0.697 55.539 54.840 0.004 0.000 0.900 1006 L CB -0.387 41.674 42.059 0.005 0.000 1.144 1006 L HN 0.659 nan 8.230 nan 0.000 0.496 1007 G N 2.502 111.304 108.800 0.003 0.000 2.527 1007 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 1007 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 1007 G C 0.465 175.367 174.900 0.002 0.000 1.177 1007 G CA -0.211 44.890 45.100 0.002 0.000 0.695 1007 G HN 0.531 nan 8.290 nan 0.000 0.517 1008 R N 1.403 121.904 120.500 0.002 0.000 2.678 1008 R HA 0.387 4.727 4.340 -0.000 0.000 0.264 1008 R C 1.940 178.241 176.300 0.002 0.000 0.995 1008 R CA 1.433 57.534 56.100 0.002 0.000 1.098 1008 R CB 0.521 30.822 30.300 0.002 0.000 0.949 1008 R HN 0.747 nan 8.270 nan 0.000 0.422 1009 T N -2.242 112.313 114.554 0.002 0.000 2.954 1009 T HA 0.026 4.376 4.350 -0.000 0.000 0.252 1009 T C 0.898 175.598 174.700 0.001 0.000 0.983 1009 T CA 0.263 62.364 62.100 0.002 0.000 0.941 1009 T CB -0.034 68.835 68.868 0.001 0.000 1.141 1009 T HN 0.592 nan 8.240 nan 0.000 0.500 1010 N N 1.498 120.199 118.700 0.001 0.000 2.250 1010 N HA 0.133 4.873 4.740 -0.000 0.000 0.181 1010 N C 0.359 175.870 175.510 0.001 0.000 1.017 1010 N CA 0.038 53.089 53.050 0.001 0.000 0.866 1010 N CB -0.793 37.695 38.487 0.001 0.000 0.985 1010 N HN 0.306 nan 8.380 nan 0.000 0.429 1011 I N 1.621 122.192 120.570 0.002 0.000 2.775 1011 I HA -0.113 4.057 4.170 -0.000 0.000 0.290 1011 I C 0.983 177.101 176.117 0.002 0.000 1.203 1011 I CA 0.013 61.314 61.300 0.002 0.000 1.433 1011 I CB 0.452 38.453 38.000 0.002 0.000 1.354 1011 I HN 0.262 nan 8.210 nan 0.000 0.579 1012 S N 4.526 120.226 115.700 0.001 0.000 2.584 1012 S HA 0.027 4.497 4.470 -0.000 0.000 0.270 1012 S C 0.951 175.552 174.600 0.002 0.000 1.346 1012 S CA -0.420 57.781 58.200 0.001 0.000 1.018 1012 S CB 0.676 63.876 63.200 0.001 0.000 0.899 1012 S HN 0.636 nan 8.310 nan 0.000 0.542 1013 D N 1.579 121.980 120.400 0.002 0.000 2.078 1013 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 1013 D C 1.814 178.116 176.300 0.002 0.000 0.990 1013 D CA 1.420 55.421 54.000 0.002 0.000 0.827 1013 D CB -0.374 40.428 40.800 0.002 0.000 0.975 1013 D HN 0.659 nan 8.370 nan 0.000 0.451 1014 E N 1.086 121.287 120.200 0.002 0.000 2.085 1014 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 1014 E C 1.965 178.566 176.600 0.001 0.000 0.994 1014 E CA 0.673 57.074 56.400 0.001 0.000 0.801 1014 E CB -0.306 29.394 29.700 0.000 0.000 0.743 1014 E HN 0.412 nan 8.360 nan 0.000 0.453 1015 E N -0.130 120.071 120.200 0.001 0.000 2.085 1015 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 1015 E C 1.953 178.554 176.600 0.002 0.000 0.994 1015 E CA 1.590 57.990 56.400 0.001 0.000 0.801 1015 E CB 0.063 29.764 29.700 0.001 0.000 0.743 1015 E HN 0.262 nan 8.360 nan 0.000 0.453 1016 S N 0.679 116.381 115.700 0.003 0.000 2.371 1016 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 1016 S C 1.874 176.478 174.600 0.007 0.000 1.029 1016 S CA 1.057 59.260 58.200 0.005 0.000 0.978 1016 S CB -0.179 63.024 63.200 0.005 0.000 0.833 1016 S HN 0.121 nan 8.310 nan 0.000 0.466 1017 E N 1.357 121.561 120.200 0.006 0.000 2.347 1017 E HA -0.034 4.316 4.350 -0.000 0.000 0.196 1017 E C 1.991 178.596 176.600 0.009 0.000 1.008 1017 E CA 0.635 57.040 56.400 0.008 0.000 0.852 1017 E CB -0.263 29.442 29.700 0.008 0.000 0.783 1017 E HN 0.450 nan 8.360 nan 0.000 0.505 1018 Q N -0.521 119.283 119.800 0.005 0.000 2.212 1018 Q HA 0.212 4.551 4.340 -0.000 0.000 0.199 1018 Q C 1.822 177.825 176.000 0.004 0.000 0.950 1018 Q CA 1.313 57.117 55.803 0.002 0.000 0.863 1018 Q CB -0.299 28.437 28.738 -0.003 0.000 0.944 1018 Q HN 0.300 nan 8.270 nan 0.000 0.465 1019 A N -0.863 121.961 122.820 0.007 0.000 1.898 1019 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 1019 A C 2.265 179.858 177.584 0.016 0.000 1.181 1019 A CA 1.922 53.964 52.037 0.009 0.000 0.620 1019 A CB -0.972 18.034 19.000 0.009 0.000 0.819 1019 A HN 0.401 nan 8.150 nan 0.000 0.442 1020 T N -0.047 114.517 114.554 0.017 0.000 2.821 1020 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 1020 T C 1.564 176.283 174.700 0.032 0.000 1.046 1020 T CA 1.565 63.678 62.100 0.022 0.000 1.139 1020 T CB -0.218 68.661 68.868 0.019 0.000 0.871 1020 T HN 0.630 nan 8.240 nan 0.000 0.454 1021 E N 0.422 120.640 120.200 0.030 0.000 2.481 1021 E HA 0.098 4.447 4.350 -0.000 0.000 0.195 1021 E C 1.806 178.444 176.600 0.062 0.000 1.047 1021 E CA 0.391 56.817 56.400 0.044 0.000 0.867 1021 E CB 0.020 29.740 29.700 0.032 0.000 0.858 1021 E HN 0.578 nan 8.360 nan 0.000 0.513 1022 M N -0.288 119.340 119.600 0.045 0.000 2.501 1022 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 1022 M C 1.872 178.228 176.300 0.093 0.000 1.129 1022 M CA 0.356 55.687 55.300 0.053 0.000 1.126 1022 M CB 0.054 32.662 32.600 0.013 0.000 1.359 1022 M HN 0.096 nan 8.290 nan 0.000 0.471 1023 L N 0.924 122.188 121.223 0.068 0.000 2.007 1023 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 1023 L C 2.451 179.363 176.870 0.071 0.000 1.073 1023 L CA 1.530 56.406 54.840 0.060 0.000 0.744 1023 L CB -0.968 41.116 42.059 0.041 0.000 0.898 1023 L HN 0.028 nan 8.230 nan 0.000 0.435 1024 V N -0.519 119.437 119.914 0.069 0.000 2.380 1024 V HA -0.373 3.747 4.120 -0.000 0.000 0.251 1024 V C 2.540 178.677 176.094 0.071 0.000 1.063 1024 V CA 2.167 64.505 62.300 0.063 0.000 1.055 1024 V CB -0.963 30.895 31.823 0.059 0.000 0.657 1024 V HN 0.647 nan 8.190 nan 0.000 0.455 1025 H N 0.065 119.145 119.070 0.016 0.000 2.326 1025 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 1025 H C 2.396 177.734 175.328 0.016 0.000 1.081 1025 H CA 1.916 57.973 56.048 0.015 0.000 1.334 1025 H CB -0.058 29.711 29.762 0.012 0.000 1.385 1025 H HN 0.316 nan 8.280 nan 0.000 0.504 1026 N N 0.109 118.897 118.700 0.145 0.000 2.142 1026 N HA -0.140 4.599 4.740 -0.000 0.000 0.186 1026 N C 1.974 177.494 175.510 0.017 0.000 1.023 1026 N CA 1.123 54.225 53.050 0.087 0.000 0.852 1026 N CB -0.195 38.347 38.487 0.092 0.000 0.998 1026 N HN 0.499 nan 8.380 nan 0.000 0.424 1027 A N 1.117 123.949 122.820 0.020 0.000 1.877 1027 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 1027 A C 2.157 179.733 177.584 -0.014 0.000 1.186 1027 A CA 1.348 53.392 52.037 0.012 0.000 0.620 1027 A CB -0.767 18.248 19.000 0.025 0.000 0.822 1027 A HN 0.421 nan 8.150 nan 0.000 0.443 1028 Q N -0.172 119.602 119.800 -0.044 0.000 2.112 1028 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 1028 Q C 1.864 177.814 176.000 -0.084 0.000 0.987 1028 Q CA 1.995 57.756 55.803 -0.070 0.000 0.858 1028 Q CB -0.321 28.345 28.738 -0.119 0.000 0.905 1028 Q HN 0.831 nan 8.270 nan 0.000 0.420 1029 N N -0.150 118.478 118.700 -0.119 0.000 2.300 1029 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 1029 N C 1.665 177.154 175.510 -0.034 0.000 1.016 1029 N CA 0.252 53.248 53.050 -0.090 0.000 0.876 1029 N CB 0.011 38.431 38.487 -0.111 0.000 0.979 1029 N HN 0.087 nan 8.380 nan 0.000 0.432 1030 L N 1.419 122.631 121.223 -0.017 0.000 2.027 1030 L HA -0.048 4.291 4.340 -0.000 0.000 0.206 1030 L C 2.117 178.990 176.870 0.005 0.000 1.074 1030 L CA 1.531 56.373 54.840 0.003 0.000 0.745 1030 L CB -0.430 41.636 42.059 0.013 0.000 0.898 1030 L HN 0.112 nan 8.230 nan 0.000 0.433 1031 M N -1.207 118.394 119.600 0.003 0.000 2.117 1031 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 1031 M C 2.249 178.550 176.300 0.003 0.000 1.065 1031 M CA 1.467 56.772 55.300 0.008 0.000 1.114 1031 M CB -1.408 31.197 32.600 0.010 0.000 1.361 1031 M HN 0.373 nan 8.290 nan 0.000 0.408 1032 Q N 0.097 119.891 119.800 -0.009 0.000 2.170 1032 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 1032 Q C 2.177 178.176 176.000 -0.002 0.000 0.976 1032 Q CA 1.450 57.247 55.803 -0.010 0.000 0.858 1032 Q CB -0.075 28.648 28.738 -0.024 0.000 0.907 1032 Q HN 0.489 nan 8.270 nan 0.000 0.433 1033 S N -0.251 115.448 115.700 -0.001 0.000 2.371 1033 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 1033 S C 2.099 176.707 174.600 0.013 0.000 1.029 1033 S CA 0.999 59.203 58.200 0.005 0.000 0.978 1033 S CB -0.093 63.111 63.200 0.006 0.000 0.833 1033 S HN 0.174 nan 8.310 nan 0.000 0.466 1034 V N 3.147 123.072 119.914 0.017 0.000 2.407 1034 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 1034 V C 2.375 178.488 176.094 0.031 0.000 1.055 1034 V CA 1.989 64.304 62.300 0.026 0.000 1.049 1034 V CB -0.724 31.116 31.823 0.028 0.000 0.662 1034 V HN 0.579 nan 8.190 nan 0.000 0.455 1035 K N 0.486 120.902 120.400 0.026 0.000 2.296 1035 K HA -0.142 4.178 4.320 -0.000 0.000 0.200 1035 K C 1.896 178.512 176.600 0.027 0.000 1.048 1035 K CA 1.581 57.888 56.287 0.033 0.000 0.966 1035 K CB -0.075 32.441 32.500 0.026 0.000 0.754 1035 K HN 0.448 nan 8.250 nan 0.000 0.466 1036 E N 0.349 120.557 120.200 0.014 0.000 2.158 1036 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 1036 E C 1.531 178.131 176.600 0.000 0.000 0.982 1036 E CA 1.362 57.764 56.400 0.004 0.000 0.823 1036 E CB 0.190 29.890 29.700 0.000 0.000 0.766 1036 E HN 0.315 nan 8.360 nan 0.000 0.468 1037 T N -0.066 114.495 114.554 0.012 0.000 2.643 1037 T HA -0.145 4.205 4.350 -0.000 0.000 0.264 1037 T C 1.904 176.615 174.700 0.019 0.000 1.045 1037 T CA 1.300 63.410 62.100 0.017 0.000 1.155 1037 T CB -0.337 68.550 68.868 0.033 0.000 0.863 1037 T HN -0.013 nan 8.240 nan 0.000 0.420 1038 V N 1.750 121.693 119.914 0.049 0.000 2.428 1038 V HA -0.267 3.853 4.120 -0.000 0.000 0.255 1038 V C 2.557 178.620 176.094 -0.052 0.000 1.080 1038 V CA 1.781 64.133 62.300 0.087 0.000 1.083 1038 V CB -0.626 31.269 31.823 0.119 0.000 0.665 1038 V HN 0.417 nan 8.190 nan 0.000 0.461 1039 R N -0.863 119.602 120.500 -0.059 0.000 2.080 1039 R HA -0.016 4.324 4.340 -0.000 0.000 0.222 1039 R C 2.209 178.398 176.300 -0.185 0.000 1.107 1039 R CA 0.778 56.806 56.100 -0.119 0.000 0.980 1039 R CB -0.223 30.055 30.300 -0.037 0.000 0.879 1039 R HN 0.453 nan 8.270 nan 0.000 0.439 1040 E N 0.890 121.020 120.200 -0.117 0.000 2.274 1040 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 1040 E C 1.810 178.324 176.600 -0.143 0.000 0.996 1040 E CA 0.753 57.085 56.400 -0.114 0.000 0.840 1040 E CB 0.130 29.795 29.700 -0.059 0.000 0.772 1040 E HN 0.273 nan 8.360 nan 0.000 0.491 1041 A N 1.398 124.139 122.820 -0.132 0.000 1.898 1041 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 1041 A C 2.131 179.525 177.584 -0.317 0.000 1.181 1041 A CA 1.250 53.248 52.037 -0.065 0.000 0.620 1041 A CB -0.258 18.836 19.000 0.157 0.000 0.819 1041 A HN 0.118 nan 8.150 nan 0.000 0.442 1042 E N 0.329 120.019 120.200 -0.851 0.000 2.072 1042 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 1042 E C 2.197 178.315 176.600 -0.804 0.000 0.985 1042 E CA 1.138 56.557 56.400 -1.634 0.000 0.801 1042 E CB -0.250 28.274 29.700 -1.960 0.000 0.750 1042 E HN 0.462 nan 8.360 nan 0.000 0.452 1043 A N 1.160 123.698 122.820 -0.469 0.000 1.933 1043 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 1043 A C 2.252 179.715 177.584 -0.202 0.000 1.175 1043 A CA 1.799 53.674 52.037 -0.271 0.000 0.628 1043 A CB -0.487 18.406 19.000 -0.178 0.000 0.814 1043 A HN 0.312 nan 8.150 nan 0.000 0.444 1044 A N -1.093 121.617 122.820 -0.183 0.000 2.238 1044 A HA 0.266 4.586 4.320 -0.000 0.000 0.208 1044 A C 1.928 179.457 177.584 -0.092 0.000 1.177 1044 A CA 1.065 53.038 52.037 -0.106 0.000 0.804 1044 A CB -0.390 18.572 19.000 -0.063 0.000 0.823 1044 A HN 0.347 nan 8.150 nan 0.000 0.482 1045 S N -0.263 115.346 115.700 -0.150 0.000 2.528 1045 S HA 0.119 4.589 4.470 -0.000 0.000 0.219 1045 S C 1.622 176.183 174.600 -0.065 0.000 0.985 1045 S CA 0.184 58.339 58.200 -0.075 0.000 0.914 1045 S CB -0.234 62.949 63.200 -0.028 0.000 0.776 1045 S HN 0.601 nan 8.310 nan 0.000 0.526 1046 I N 0.903 121.417 120.570 -0.093 0.000 2.141 1046 I HA -0.051 4.119 4.170 -0.000 0.000 0.236 1046 I C 0.215 176.308 176.117 -0.039 0.000 1.071 1046 I CA 0.916 62.179 61.300 -0.062 0.000 1.345 1046 I CB -0.573 37.383 38.000 -0.073 0.000 1.066 1046 I HN 0.067 nan 8.210 nan 0.000 0.406 1047 K N 2.623 122.999 120.400 -0.039 0.000 2.155 1047 K HA 0.355 4.675 4.320 -0.000 0.000 0.240 1047 K C -0.273 176.315 176.600 -0.020 0.000 1.193 1047 K CA 0.231 56.502 56.287 -0.026 0.000 1.104 1047 K CB -0.546 31.939 32.500 -0.025 0.000 1.558 1047 K HN 0.213 nan 8.250 nan 0.000 0.313 1048 I N 1.584 122.144 120.570 -0.016 0.000 2.581 1048 I HA 0.133 4.303 4.170 -0.000 0.000 0.288 1048 I C 1.769 177.884 176.117 -0.004 0.000 1.047 1048 I CA -0.251 61.042 61.300 -0.011 0.000 1.374 1048 I CB 1.309 39.301 38.000 -0.014 0.000 1.423 1048 I HN 0.591 nan 8.210 nan 0.000 0.549 1049 R N 2.341 122.842 120.500 0.003 0.000 2.057 1049 R HA -0.047 4.292 4.340 -0.000 0.000 0.229 1049 R C 0.576 176.881 176.300 0.008 0.000 1.136 1049 R CA 1.236 57.341 56.100 0.007 0.000 0.952 1049 R CB 0.255 30.563 30.300 0.013 0.000 0.848 1049 R HN 0.790 nan 8.270 nan 0.000 0.430 1050 T N -2.288 112.273 114.554 0.011 0.000 2.933 1050 T HA 0.075 4.425 4.350 -0.000 0.000 0.305 1050 T C 0.107 174.813 174.700 0.011 0.000 1.092 1050 T CA -0.918 61.189 62.100 0.012 0.000 1.008 1050 T CB 1.830 70.709 68.868 0.018 0.000 1.102 1050 T HN 0.070 nan 8.240 nan 0.000 0.469 1051 D N 2.046 122.451 120.400 0.008 0.000 2.378 1051 D HA 0.069 4.709 4.640 -0.000 0.000 0.222 1051 D C 0.529 176.834 176.300 0.008 0.000 0.980 1051 D CA 0.837 54.839 54.000 0.004 0.000 0.907 1051 D CB 0.137 40.939 40.800 0.003 0.000 0.899 1051 D HN 0.880 nan 8.370 nan 0.000 0.527 1052 A N -0.317 122.515 122.820 0.020 0.000 2.601 1052 A HA 0.502 4.822 4.320 -0.000 0.000 0.292 1052 A C 0.186 177.796 177.584 0.043 0.000 1.284 1052 A CA 0.059 52.117 52.037 0.036 0.000 0.893 1052 A CB 0.169 19.188 19.000 0.030 0.000 1.440 1052 A HN 0.229 nan 8.150 nan 0.000 0.510 1053 G N 0.738 109.572 108.800 0.057 0.000 3.068 1053 G HA2 0.178 4.138 3.960 -0.000 0.000 0.685 1053 G HA3 0.178 4.138 3.960 -0.000 0.000 0.685 1053 G C -0.347 174.630 174.900 0.128 0.000 1.142 1053 G CA 0.009 45.154 45.100 0.074 0.000 0.977 1053 G HN 1.924 nan 8.290 nan 0.000 0.567 1054 F N 2.479 122.429 119.950 0.000 0.000 2.380 1054 F HA 0.789 5.317 4.527 0.000 0.000 0.325 1054 F C 0.643 176.443 175.800 -0.000 0.000 1.136 1054 F CA -0.012 57.985 58.000 -0.004 0.000 1.171 1054 F CB 1.775 40.771 39.000 -0.005 0.000 1.230 1054 F HN 0.634 nan 8.300 nan 0.000 0.554 1055 T N 5.686 119.653 114.554 -0.979 0.000 2.956 1055 T HA 0.480 4.830 4.350 -0.000 0.000 0.312 1055 T C -1.105 173.065 174.700 -0.883 0.000 1.151 1055 T CA -0.624 60.996 62.100 -0.800 0.000 1.024 1055 T CB 1.415 70.105 68.868 -0.298 0.000 1.140 1055 T HN 0.534 nan 8.240 nan 0.000 0.473 1056 L N 2.352 123.204 121.223 -0.619 0.000 2.317 1056 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 1056 L C 0.353 176.906 176.870 -0.527 0.000 1.024 1056 L CA -0.986 53.508 54.840 -0.576 0.000 0.810 1056 L CB 1.713 43.406 42.059 -0.609 0.000 1.240 1056 L HN 0.461 nan 8.230 nan 0.000 0.427 1057 R N 2.298 122.492 120.500 -0.510 0.000 2.234 1057 R HA 0.163 4.503 4.340 -0.000 0.000 0.324 1057 R C -1.461 174.512 176.300 -0.544 0.000 1.054 1057 R CA -0.156 55.733 56.100 -0.351 0.000 0.912 1057 R CB 0.477 30.660 30.300 -0.196 0.000 1.030 1057 R HN 0.491 nan 8.270 nan 0.000 0.455 1058 W N 5.003 126.240 121.300 -0.104 0.000 2.286 1058 W HA 0.324 4.984 4.660 0.000 0.000 0.296 1058 W C -0.982 175.643 176.519 0.177 0.000 0.911 1058 W CA -0.652 56.612 57.345 -0.135 0.000 1.761 1058 W CB 1.450 30.712 29.460 -0.331 0.000 1.820 1058 W HN 0.167 nan 8.180 nan 0.000 0.403 1059 V N 4.202 124.354 119.914 0.395 0.000 2.313 1059 V HA 0.339 4.459 4.120 -0.000 0.000 0.278 1059 V C 0.576 176.915 176.094 0.408 0.000 1.017 1059 V CA -1.144 61.365 62.300 0.349 0.000 0.823 1059 V CB 0.709 32.628 31.823 0.160 0.000 1.010 1059 V HN 0.136 nan 8.190 nan 0.000 0.443 1060 R N 3.603 124.276 120.500 0.288 0.000 2.486 1060 R HA 0.025 4.365 4.340 -0.000 0.000 0.303 1060 R C 0.204 176.468 176.300 -0.059 0.000 0.958 1060 R CA 0.243 56.274 56.100 -0.115 0.000 1.077 1060 R CB -0.103 30.047 30.300 -0.249 0.000 0.921 1060 R HN 0.582 nan 8.270 nan 0.000 0.406 1061 K N 1.627 121.970 120.400 -0.096 0.000 2.322 1061 K HA 0.138 4.458 4.320 -0.000 0.000 0.283 1061 K C -0.523 176.021 176.600 -0.094 0.000 1.042 1061 K CA 0.340 56.594 56.287 -0.056 0.000 0.958 1061 K CB 0.734 33.212 32.500 -0.037 0.000 0.984 1061 K HN 0.438 nan 8.250 nan 0.000 0.473 1062 T N 3.661 118.182 114.554 -0.055 0.000 2.868 1062 T HA 0.440 4.790 4.350 -0.000 0.000 0.306 1062 T C -2.317 172.365 174.700 -0.029 0.000 1.224 1062 T CA -1.102 60.965 62.100 -0.055 0.000 1.012 1062 T CB 1.496 70.329 68.868 -0.058 0.000 1.221 1062 T HN 0.601 nan 8.240 nan 0.000 0.499 1063 P HA 0.000 nan 4.420 nan 0.000 0.216 1063 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 1063 P CB 0.000 31.693 31.700 -0.011 0.000 0.726