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 3mpp_1_G DATA FIRST_RESID 867 DATA SEQUENCE SNAILSLSYR GGRLIDSSGY GATMNVGSDV IFNDIGNGQF KLNNSENSNI DATA SEQUENCE TAHQXXXXXX XXXXDNFSIN FWVRTPKYNN NDIQTYLQNE YTIISCIKND DATA SEQUENCE SGWKVSIKGN RIIWTLIDVN AKSKSIFFEY SIKDNISDYI NKWFSITITN DATA SEQUENCE DRLGNANIYI NGSLKKSEKI XXLDRINSSN DIDFKLINCT DTTKFVWIKD DATA SEQUENCE FNIFGRELNA TEVEERYKIQ SXXNTLKDFW GNPLRYDTQY YLFNQGMQNI DATA SEQUENCE YIKYFSKASM GETAPRTNFN NAAINYQNLY LGLRFIIKKA SXXXXXXXDN DATA SEQUENCE IVREGDYIYL NIDNISDESY RVYVLVNSKE IQTQLFLAPI NDDPTFYDVL DATA SEQUENCE QIKKYYEKTT YNCQILCEKD TKTFGLFGIG KFVXXXXXXX XXYDNYFCIS DATA SEQUENCE QWYLRRISEN INKLRLGCNW QFIPVDEGWT ELQ 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 867 S HA 0.000 nan 4.470 nan 0.000 0.327 867 S C 0.000 174.723 174.600 0.204 0.000 1.055 867 S CA 0.000 58.246 58.200 0.076 0.000 1.107 867 S CB 0.000 63.261 63.200 0.101 0.000 0.593 868 N N 1.431 120.290 118.700 0.265 0.000 2.399 868 N HA 0.705 5.448 4.740 0.006 0.000 0.295 868 N C -0.637 175.037 175.510 0.273 0.000 1.048 868 N CA 0.274 53.499 53.050 0.292 0.000 0.886 868 N CB 1.621 40.242 38.487 0.223 0.000 1.185 868 N HN 0.787 nan 8.380 nan 0.000 0.487 869 A N 3.986 126.877 122.820 0.118 0.000 2.545 869 A HA 0.104 4.428 4.320 0.006 0.000 0.253 869 A C 1.693 179.145 177.584 -0.220 0.000 1.074 869 A CA -0.020 51.796 52.037 -0.369 0.000 0.760 869 A CB -0.480 18.261 19.000 -0.431 0.000 1.005 869 A HN 0.864 nan 8.150 nan 0.000 0.506 870 I N 1.032 121.400 120.570 -0.337 0.000 2.361 870 I HA -0.098 4.076 4.170 0.006 0.000 0.251 870 I C 0.488 176.395 176.117 -0.351 0.000 1.133 870 I CA 1.149 62.141 61.300 -0.514 0.000 1.413 870 I CB -0.051 37.768 38.000 -0.301 0.000 1.073 870 I HN 0.627 nan 8.210 nan 0.000 0.424 871 L N -0.264 120.864 121.223 -0.158 0.000 2.549 871 L HA 0.386 4.730 4.340 0.006 0.000 0.259 871 L C -1.008 175.889 176.870 0.045 0.000 0.934 871 L CA -0.214 54.643 54.840 0.029 0.000 0.865 871 L CB 2.044 44.193 42.059 0.149 0.000 1.352 871 L HN -0.035 nan 8.230 nan 0.000 0.410 872 S N 4.648 120.419 115.700 0.118 0.000 2.677 872 S HA 0.683 5.157 4.470 0.006 0.000 0.283 872 S C -1.044 173.673 174.600 0.195 0.000 1.159 872 S CA -0.791 57.493 58.200 0.140 0.000 1.001 872 S CB 1.013 64.252 63.200 0.066 0.000 1.032 872 S HN 0.703 nan 8.310 nan 0.000 0.487 873 L N 3.101 124.492 121.223 0.279 0.000 2.290 873 L HA 0.584 4.928 4.340 0.006 0.000 0.284 873 L C 0.026 177.023 176.870 0.211 0.000 1.078 873 L CA -0.208 54.769 54.840 0.227 0.000 0.815 873 L CB 1.331 43.528 42.059 0.229 0.000 1.162 873 L HN 0.751 nan 8.230 nan 0.000 0.435 874 S N 1.811 117.608 115.700 0.161 0.000 2.536 874 S HA 0.342 4.816 4.470 0.006 0.000 0.287 874 S C -1.113 173.585 174.600 0.164 0.000 1.101 874 S CA -0.538 57.755 58.200 0.156 0.000 0.950 874 S CB 1.663 64.917 63.200 0.091 0.000 1.056 874 S HN 0.435 nan 8.310 nan 0.000 0.481 875 Y N 3.487 123.820 120.300 0.054 0.000 2.700 875 Y HA 0.404 4.958 4.550 0.007 0.000 0.333 875 Y C -0.107 175.777 175.900 -0.027 0.000 1.036 875 Y CA -0.536 57.554 58.100 -0.016 0.000 1.287 875 Y CB 0.212 38.704 38.460 0.053 0.000 1.132 875 Y HN 0.391 nan 8.280 nan 0.000 0.510 876 R N 3.930 124.242 120.500 -0.314 0.000 2.310 876 R HA 0.335 4.678 4.340 0.006 0.000 0.324 876 R C 0.282 176.363 176.300 -0.366 0.000 0.955 876 R CA -0.233 55.713 56.100 -0.257 0.000 0.830 876 R CB 1.187 31.410 30.300 -0.127 0.000 1.154 876 R HN 0.953 nan 8.270 nan 0.000 0.458 877 G N 1.388 109.996 108.800 -0.320 0.000 2.371 877 G HA2 -0.230 3.734 3.960 0.006 0.000 0.299 877 G HA3 -0.230 3.734 3.960 0.006 0.000 0.299 877 G C 0.877 175.572 174.900 -0.342 0.000 1.014 877 G CA 1.079 46.024 45.100 -0.259 0.000 1.097 877 G HN 1.110 nan 8.290 nan 0.000 0.512 878 G N -1.065 107.397 108.800 -0.563 0.000 2.199 878 G HA2 -0.123 3.840 3.960 0.006 0.000 0.254 878 G HA3 -0.123 3.840 3.960 0.006 0.000 0.254 878 G C 0.403 174.975 174.900 -0.547 0.000 0.982 878 G CA 1.150 45.987 45.100 -0.438 0.000 0.632 878 G HN 2.038 nan 8.290 nan 0.000 0.529 879 R N -0.930 119.140 120.500 -0.716 0.000 2.686 879 R HA 0.801 5.145 4.340 0.006 0.000 0.286 879 R C -0.797 175.246 176.300 -0.428 0.000 0.969 879 R CA -1.252 54.580 56.100 -0.445 0.000 0.898 879 R CB 1.784 31.939 30.300 -0.242 0.000 1.183 879 R HN 0.345 nan 8.270 nan 0.000 0.456 880 L N 4.823 125.921 121.223 -0.208 0.000 2.278 880 L HA 0.438 4.782 4.340 0.006 0.000 0.287 880 L C -0.431 176.411 176.870 -0.047 0.000 1.072 880 L CA -0.226 54.579 54.840 -0.059 0.000 0.819 880 L CB 0.611 42.639 42.059 -0.053 0.000 1.176 880 L HN 0.776 nan 8.230 nan 0.000 0.435 881 I N 0.349 120.910 120.570 -0.014 0.000 3.206 881 I HA 0.600 4.774 4.170 0.006 0.000 0.313 881 I C -1.005 175.140 176.117 0.047 0.000 1.103 881 I CA -0.994 60.307 61.300 0.003 0.000 0.985 881 I CB 1.979 39.968 38.000 -0.018 0.000 1.240 881 I HN 0.405 nan 8.210 nan 0.000 0.464 882 D N 1.547 121.983 120.400 0.060 0.000 2.396 882 D HA 0.315 4.958 4.640 0.006 0.000 0.225 882 D C 0.237 176.589 176.300 0.087 0.000 1.121 882 D CA -0.192 53.865 54.000 0.095 0.000 0.853 882 D CB 1.434 42.303 40.800 0.114 0.000 1.043 882 D HN 0.550 nan 8.370 nan 0.000 0.500 883 S N 1.631 117.385 115.700 0.090 0.000 2.561 883 S HA -0.097 4.377 4.470 0.006 0.000 0.225 883 S C 1.862 176.518 174.600 0.095 0.000 0.977 883 S CA 0.124 58.369 58.200 0.075 0.000 0.926 883 S CB 0.065 63.307 63.200 0.069 0.000 0.769 883 S HN 0.519 nan 8.310 nan 0.000 0.533 884 S N 0.981 116.761 115.700 0.133 0.000 2.383 884 S HA -0.015 4.459 4.470 0.006 0.000 0.229 884 S C 1.759 176.494 174.600 0.225 0.000 1.030 884 S CA 1.503 59.829 58.200 0.211 0.000 1.002 884 S CB -0.487 62.874 63.200 0.269 0.000 0.829 884 S HN 0.814 nan 8.310 nan 0.000 0.467 885 G N -0.949 107.932 108.800 0.136 0.000 2.176 885 G HA2 -0.256 3.707 3.960 0.006 0.000 0.253 885 G HA3 -0.256 3.707 3.960 0.006 0.000 0.253 885 G C 0.373 175.230 174.900 -0.072 0.000 0.979 885 G CA 0.489 45.595 45.100 0.011 0.000 0.641 885 G HN 0.587 nan 8.290 nan 0.000 0.530 886 Y N 0.554 120.876 120.300 0.037 0.000 2.466 886 Y HA 0.391 4.944 4.550 0.006 0.000 0.272 886 Y C 2.154 178.080 175.900 0.043 0.000 1.169 886 Y CA 0.646 58.771 58.100 0.041 0.000 1.285 886 Y CB 0.519 39.008 38.460 0.048 0.000 1.078 886 Y HN 0.948 nan 8.280 nan 0.000 0.523 887 G N 0.620 109.506 108.800 0.144 0.000 2.198 887 G HA2 -0.245 3.718 3.960 0.006 0.000 0.260 887 G HA3 -0.245 3.718 3.960 0.006 0.000 0.260 887 G C 0.424 175.390 174.900 0.109 0.000 1.025 887 G CA 0.007 45.164 45.100 0.095 0.000 0.769 887 G HN 0.638 nan 8.290 nan 0.000 0.507 888 A N 0.172 123.074 122.820 0.137 0.000 2.531 888 A HA 0.580 4.904 4.320 0.006 0.000 0.236 888 A C 1.089 178.740 177.584 0.110 0.000 1.062 888 A CA 1.323 53.439 52.037 0.132 0.000 0.760 888 A CB 0.182 19.267 19.000 0.143 0.000 0.995 888 A HN 1.921 nan 8.150 nan 0.000 0.501 889 T N 1.303 115.932 114.554 0.126 0.000 2.795 889 T HA 0.639 4.992 4.350 0.006 0.000 0.282 889 T C -0.157 174.632 174.700 0.149 0.000 0.980 889 T CA -0.833 61.331 62.100 0.106 0.000 1.012 889 T CB 0.758 69.668 68.868 0.069 0.000 0.936 889 T HN 0.435 nan 8.240 nan 0.000 0.457 890 M N 3.307 122.965 119.600 0.097 0.000 2.205 890 M HA 0.406 4.890 4.480 0.006 0.000 0.344 890 M C -0.613 175.743 176.300 0.093 0.000 1.085 890 M CA -0.679 54.674 55.300 0.088 0.000 1.001 890 M CB 0.788 33.403 32.600 0.025 0.000 1.626 890 M HN 0.697 nan 8.290 nan 0.000 0.442 891 N N 1.396 120.175 118.700 0.131 0.000 2.392 891 N HA 0.626 5.369 4.740 0.006 0.000 0.283 891 N C -1.276 174.267 175.510 0.055 0.000 1.003 891 N CA -0.505 52.605 53.050 0.100 0.000 0.892 891 N CB 2.320 40.905 38.487 0.163 0.000 1.193 891 N HN 0.336 nan 8.380 nan 0.000 0.487 892 V N 1.256 121.199 119.914 0.048 0.000 2.444 892 V HA 0.588 4.712 4.120 0.006 0.000 0.294 892 V C 0.917 177.039 176.094 0.047 0.000 1.022 892 V CA -0.904 61.428 62.300 0.053 0.000 0.850 892 V CB 1.458 33.358 31.823 0.129 0.000 0.992 892 V HN 0.765 nan 8.190 nan 0.000 0.426 893 G N 2.467 111.278 108.800 0.018 0.000 2.684 893 G HA2 0.292 4.256 3.960 0.006 0.000 0.255 893 G HA3 0.292 4.256 3.960 0.006 0.000 0.255 893 G C 1.070 175.981 174.900 0.018 0.000 1.219 893 G CA 0.326 45.432 45.100 0.010 0.000 0.901 893 G HN 0.963 nan 8.290 nan 0.000 0.548 894 S N -1.722 113.984 115.700 0.010 0.000 2.527 894 S HA -0.027 4.446 4.470 0.006 0.000 0.222 894 S C 1.023 175.619 174.600 -0.006 0.000 0.985 894 S CA 1.014 59.222 58.200 0.015 0.000 0.921 894 S CB 0.275 63.481 63.200 0.010 0.000 0.772 894 S HN 0.499 nan 8.310 nan 0.000 0.529 895 D N 1.291 121.672 120.400 -0.033 0.000 2.615 895 D HA 0.283 4.927 4.640 0.006 0.000 0.236 895 D C -0.699 175.531 176.300 -0.116 0.000 1.233 895 D CA -0.187 53.776 54.000 -0.062 0.000 0.829 895 D CB 0.437 41.204 40.800 -0.054 0.000 1.024 895 D HN 0.154 nan 8.370 nan 0.000 0.490 896 V N 1.265 121.092 119.914 -0.144 0.000 2.472 896 V HA 0.416 4.540 4.120 0.006 0.000 0.290 896 V C 0.208 176.077 176.094 -0.375 0.000 1.037 896 V CA -0.844 61.269 62.300 -0.313 0.000 0.908 896 V CB 1.631 33.192 31.823 -0.438 0.000 0.985 896 V HN -0.016 nan 8.190 nan 0.000 0.454 897 I N 4.811 125.098 120.570 -0.471 0.000 2.392 897 I HA 0.534 4.707 4.170 0.006 0.000 0.295 897 I C -0.444 175.393 176.117 -0.467 0.000 0.985 897 I CA 0.173 61.267 61.300 -0.343 0.000 1.221 897 I CB 1.179 39.025 38.000 -0.256 0.000 1.366 897 I HN 0.355 nan 8.210 nan 0.000 0.467 898 F N 4.137 124.040 119.950 -0.079 0.000 2.561 898 F HA 0.584 5.115 4.527 0.007 0.000 0.321 898 F C 0.027 175.797 175.800 -0.051 0.000 1.065 898 F CA -0.729 57.151 58.000 -0.200 0.000 0.934 898 F CB 1.711 40.223 39.000 -0.813 0.000 1.215 898 F HN 0.584 nan 8.300 nan 0.000 0.471 899 N N -1.512 117.310 118.700 0.204 0.000 2.455 899 N HA 0.368 5.112 4.740 0.006 0.000 0.278 899 N C -1.291 174.345 175.510 0.210 0.000 1.291 899 N CA -0.959 52.204 53.050 0.188 0.000 0.780 899 N CB 1.212 39.802 38.487 0.171 0.000 1.520 899 N HN 0.426 nan 8.380 nan 0.000 0.486 900 D N -0.563 119.982 120.400 0.241 0.000 2.395 900 D HA 0.218 4.861 4.640 0.006 0.000 0.226 900 D C -0.161 176.212 176.300 0.123 0.000 1.146 900 D CA -0.300 53.858 54.000 0.263 0.000 0.830 900 D CB -0.450 40.490 40.800 0.233 0.000 0.958 900 D HN 0.560 nan 8.370 nan 0.000 0.501 901 I N 0.991 121.603 120.570 0.070 0.000 2.598 901 I HA 0.267 4.440 4.170 0.006 0.000 0.284 901 I C 1.788 177.874 176.117 -0.052 0.000 1.140 901 I CA 0.528 61.819 61.300 -0.014 0.000 1.420 901 I CB 0.387 38.349 38.000 -0.063 0.000 1.387 901 I HN 0.330 nan 8.210 nan 0.000 0.553 902 G N 6.190 114.942 108.800 -0.078 0.000 2.602 902 G HA2 -0.386 3.577 3.960 0.006 0.000 0.310 902 G HA3 -0.386 3.577 3.960 0.006 0.000 0.310 902 G C 0.160 175.041 174.900 -0.032 0.000 1.183 902 G CA 0.778 45.816 45.100 -0.103 0.000 0.979 902 G HN 1.077 nan 8.290 nan 0.000 0.545 903 N N -0.430 118.261 118.700 -0.015 0.000 2.620 903 N HA 0.538 5.282 4.740 0.006 0.000 0.277 903 N C 0.270 175.867 175.510 0.145 0.000 1.726 903 N CA 0.410 53.496 53.050 0.061 0.000 0.840 903 N CB 0.799 39.303 38.487 0.029 0.000 1.379 903 N HN 1.033 nan 8.380 nan 0.000 0.506 904 G N 0.474 109.411 108.800 0.229 0.000 3.382 904 G HA2 0.441 4.405 3.960 0.006 0.000 0.183 904 G HA3 0.441 4.405 3.960 0.006 0.000 0.183 904 G C -1.284 173.714 174.900 0.162 0.000 1.246 904 G CA -0.208 45.001 45.100 0.181 0.000 0.828 904 G HN 0.237 nan 8.290 nan 0.000 0.728 905 Q N -0.467 119.481 119.800 0.246 0.000 2.389 905 Q HA 0.575 4.918 4.340 0.006 0.000 0.277 905 Q C -1.725 174.577 176.000 0.503 0.000 1.082 905 Q CA -0.714 55.289 55.803 0.333 0.000 0.810 905 Q CB 2.988 31.927 28.738 0.335 0.000 1.374 905 Q HN 0.585 nan 8.270 nan 0.000 0.422 906 F N -1.291 118.881 119.950 0.371 0.000 2.588 906 F HA 0.708 5.239 4.527 0.007 0.000 0.314 906 F C -1.080 174.568 175.800 -0.253 0.000 1.069 906 F CA -1.121 56.837 58.000 -0.071 0.000 0.931 906 F CB 1.610 40.360 39.000 -0.417 0.000 1.260 906 F HN 0.258 nan 8.300 nan 0.000 0.465 907 K N 4.065 124.108 120.400 -0.595 0.000 2.358 907 K HA 0.579 4.902 4.320 0.006 0.000 0.260 907 K C -1.703 174.653 176.600 -0.408 0.000 0.956 907 K CA -0.608 55.092 56.287 -0.979 0.000 0.834 907 K CB 1.257 32.655 32.500 -1.836 0.000 1.102 907 K HN 0.906 nan 8.250 nan 0.000 0.431 908 L N 4.320 125.434 121.223 -0.181 0.000 2.265 908 L HA 0.325 4.668 4.340 0.006 0.000 0.288 908 L C -0.072 176.760 176.870 -0.063 0.000 1.058 908 L CA -0.648 54.158 54.840 -0.056 0.000 0.809 908 L CB 1.159 43.269 42.059 0.084 0.000 1.179 908 L HN 0.704 nan 8.230 nan 0.000 0.429 909 N N 1.341 119.993 118.700 -0.080 0.000 2.478 909 N HA 0.185 4.929 4.740 0.006 0.000 0.275 909 N C -0.096 175.389 175.510 -0.041 0.000 1.221 909 N CA -0.760 52.264 53.050 -0.044 0.000 0.979 909 N CB 0.538 38.980 38.487 -0.075 0.000 1.202 909 N HN 0.421 nan 8.380 nan 0.000 0.564 910 N N 0.754 119.427 118.700 -0.045 0.000 3.188 910 N HA 0.130 4.874 4.740 0.006 0.000 0.279 910 N C -1.692 173.787 175.510 -0.051 0.000 1.213 910 N CA -0.166 52.843 53.050 -0.068 0.000 1.138 910 N CB -0.616 37.812 38.487 -0.097 0.000 1.417 910 N HN 0.561 nan 8.380 nan 0.000 0.526 911 S N -0.127 115.547 115.700 -0.043 0.000 2.547 911 S HA 0.308 4.781 4.470 0.006 0.000 0.270 911 S C 0.570 175.152 174.600 -0.029 0.000 1.150 911 S CA -0.772 57.407 58.200 -0.035 0.000 0.850 911 S CB 1.123 64.302 63.200 -0.035 0.000 1.118 911 S HN 0.253 nan 8.310 nan 0.000 0.461 912 E N 0.987 121.173 120.200 -0.024 0.000 2.265 912 E HA -0.093 4.261 4.350 0.006 0.000 0.196 912 E C 0.817 177.406 176.600 -0.018 0.000 0.996 912 E CA 0.761 57.149 56.400 -0.019 0.000 0.832 912 E CB -0.162 29.528 29.700 -0.016 0.000 0.756 912 E HN 0.532 nan 8.360 nan 0.000 0.491 913 N N 0.330 119.017 118.700 -0.021 0.000 2.398 913 N HA -0.034 4.710 4.740 0.006 0.000 0.188 913 N C 0.142 175.633 175.510 -0.031 0.000 1.122 913 N CA 0.236 53.274 53.050 -0.020 0.000 0.866 913 N CB 0.680 39.157 38.487 -0.018 0.000 0.970 913 N HN -0.131 nan 8.380 nan 0.000 0.462 914 S N 1.892 117.568 115.700 -0.039 0.000 2.921 914 S HA 0.191 4.665 4.470 0.006 0.000 0.244 914 S C -0.573 174.001 174.600 -0.044 0.000 1.291 914 S CA -0.817 57.348 58.200 -0.059 0.000 1.010 914 S CB -0.737 62.423 63.200 -0.066 0.000 1.255 914 S HN 0.360 nan 8.310 nan 0.000 0.492 915 N N 3.243 121.915 118.700 -0.047 0.000 2.591 915 N HA 0.448 5.191 4.740 0.006 0.000 0.263 915 N C -1.582 173.896 175.510 -0.054 0.000 1.308 915 N CA -0.733 52.301 53.050 -0.027 0.000 0.837 915 N CB 1.191 39.673 38.487 -0.008 0.000 1.548 915 N HN 0.334 nan 8.380 nan 0.000 0.493 916 I N 0.526 121.073 120.570 -0.038 0.000 2.533 916 I HA 0.281 4.454 4.170 0.006 0.000 0.290 916 I C -0.681 175.465 176.117 0.049 0.000 1.056 916 I CA -0.516 60.738 61.300 -0.076 0.000 1.057 916 I CB 2.435 40.220 38.000 -0.359 0.000 1.240 916 I HN 0.448 nan 8.210 nan 0.000 0.423 917 T N 4.715 119.277 114.554 0.012 0.000 2.792 917 T HA 0.569 4.922 4.350 0.006 0.000 0.280 917 T C -0.147 174.524 174.700 -0.049 0.000 0.990 917 T CA -0.496 61.573 62.100 -0.052 0.000 0.960 917 T CB 1.532 70.291 68.868 -0.182 0.000 0.939 917 T HN 0.627 nan 8.240 nan 0.000 0.439 918 A N 3.762 126.575 122.820 -0.012 0.000 2.279 918 A HA 0.415 4.738 4.320 0.006 0.000 0.306 918 A C -0.057 177.485 177.584 -0.070 0.000 1.300 918 A CA -0.541 51.517 52.037 0.034 0.000 0.925 918 A CB -0.027 19.067 19.000 0.156 0.000 1.152 918 A HN 0.888 nan 8.150 nan 0.000 0.544 919 H N 2.554 121.657 119.070 0.055 0.000 2.705 919 H HA 0.229 4.789 4.556 0.006 0.000 0.291 919 H C 0.110 175.470 175.328 0.054 0.000 1.085 919 H CA 0.283 56.356 56.048 0.041 0.000 1.357 919 H CB 1.019 30.797 29.762 0.026 0.000 1.419 919 H HN 0.873 nan 8.280 nan 0.000 0.462 932 N N 0.918 119.769 118.700 0.251 0.000 2.531 932 N HA 0.538 5.282 4.740 0.006 0.000 0.268 932 N C -1.269 174.432 175.510 0.319 0.000 1.023 932 N CA -0.453 52.724 53.050 0.212 0.000 0.896 932 N CB 0.837 39.395 38.487 0.119 0.000 1.233 932 N HN 0.131 nan 8.380 nan 0.000 0.512 933 F N -0.957 119.011 119.950 0.031 0.000 2.779 933 F HA 0.817 5.348 4.527 0.006 0.000 0.316 933 F C -1.152 174.624 175.800 -0.040 0.000 1.164 933 F CA -0.942 57.071 58.000 0.022 0.000 0.924 933 F CB 0.962 39.989 39.000 0.045 0.000 1.348 933 F HN 0.074 nan 8.300 nan 0.000 0.467 934 S N 1.771 117.397 115.700 -0.123 0.000 2.541 934 S HA 0.788 5.262 4.470 0.006 0.000 0.280 934 S C -1.582 172.938 174.600 -0.132 0.000 1.112 934 S CA -0.590 57.433 58.200 -0.295 0.000 0.925 934 S CB 1.874 64.988 63.200 -0.144 0.000 1.067 934 S HN 0.578 nan 8.310 nan 0.000 0.479 935 I N 3.108 123.476 120.570 -0.336 0.000 2.433 935 I HA 0.519 4.693 4.170 0.006 0.000 0.292 935 I C -0.357 175.670 176.117 -0.150 0.000 1.001 935 I CA -0.637 60.527 61.300 -0.228 0.000 1.119 935 I CB 1.571 39.371 38.000 -0.333 0.000 1.289 935 I HN 0.703 nan 8.210 nan 0.000 0.438 936 N N 6.659 125.315 118.700 -0.074 0.000 2.310 936 N HA 0.765 5.509 4.740 0.006 0.000 0.292 936 N C -1.396 174.205 175.510 0.151 0.000 1.049 936 N CA -0.385 52.658 53.050 -0.012 0.000 0.849 936 N CB 1.926 40.477 38.487 0.107 0.000 1.532 936 N HN 0.432 nan 8.380 nan 0.000 0.479 937 F N -0.268 119.741 119.950 0.097 0.000 2.770 937 F HA 0.682 5.213 4.527 0.006 0.000 0.313 937 F C -2.009 173.994 175.800 0.338 0.000 1.154 937 F CA -1.331 56.859 58.000 0.317 0.000 0.923 937 F CB 0.704 39.989 39.000 0.474 0.000 1.301 937 F HN 0.213 nan 8.300 nan 0.000 0.449 938 W N 1.728 123.226 121.300 0.329 0.000 2.570 938 W HA 0.788 5.452 4.660 0.005 0.000 0.337 938 W C -0.971 175.872 176.519 0.541 0.000 1.067 938 W CA -1.297 56.205 57.345 0.262 0.000 1.229 938 W CB 1.749 31.349 29.460 0.233 0.000 1.355 938 W HN 0.535 nan 8.180 nan 0.000 0.555 939 V N 3.217 123.419 119.914 0.480 0.000 2.876 939 V HA 0.662 4.785 4.120 0.006 0.000 0.312 939 V C -1.037 175.036 176.094 -0.034 0.000 1.085 939 V CA -1.288 61.202 62.300 0.317 0.000 0.945 939 V CB 2.098 34.041 31.823 0.199 0.000 1.017 939 V HN 0.576 nan 8.190 nan 0.000 0.428 940 R N 2.728 123.090 120.500 -0.230 0.000 2.483 940 R HA 0.553 4.896 4.340 0.006 0.000 0.303 940 R C -1.095 175.184 176.300 -0.035 0.000 0.987 940 R CA -0.350 55.536 56.100 -0.357 0.000 0.881 940 R CB 1.919 31.608 30.300 -1.017 0.000 1.177 940 R HN 0.796 nan 8.270 nan 0.000 0.451 941 T N 3.607 118.204 114.554 0.072 0.000 2.863 941 T HA 0.545 4.899 4.350 0.006 0.000 0.285 941 T C -2.550 172.175 174.700 0.041 0.000 1.009 941 T CA -2.480 59.669 62.100 0.082 0.000 0.989 941 T CB 1.529 70.529 68.868 0.221 0.000 1.004 941 T HN 0.232 nan 8.240 nan 0.000 0.455 942 P HA 0.213 nan 4.420 nan 0.000 0.272 942 P C -0.459 176.797 177.300 -0.074 0.000 1.223 942 P CA -0.516 62.480 63.100 -0.173 0.000 0.784 942 P CB 0.441 31.860 31.700 -0.467 0.000 0.923 943 K N 2.504 122.798 120.400 -0.176 0.000 2.518 943 K HA -0.031 4.293 4.320 0.006 0.000 0.276 943 K C 0.060 176.330 176.600 -0.549 0.000 0.974 943 K CA -0.089 55.902 56.287 -0.494 0.000 0.986 943 K CB -0.103 31.838 32.500 -0.932 0.000 0.901 943 K HN 0.403 nan 8.250 nan 0.000 0.497 944 Y N 1.290 121.270 120.300 -0.533 0.000 2.757 944 Y HA 0.004 4.555 4.550 0.001 0.000 0.344 944 Y C 0.058 175.693 175.900 -0.441 0.000 1.263 944 Y CA -0.859 56.804 58.100 -0.729 0.000 1.493 944 Y CB 0.003 37.702 38.460 -1.268 0.000 1.342 944 Y HN 0.369 nan 8.280 nan 0.000 0.627 945 N N 3.168 121.804 118.700 -0.107 0.000 2.430 945 N HA 0.047 4.790 4.740 0.006 0.000 0.265 945 N C 0.457 175.957 175.510 -0.016 0.000 1.100 945 N CA -0.225 52.767 53.050 -0.097 0.000 0.961 945 N CB 0.676 39.128 38.487 -0.059 0.000 1.075 945 N HN 0.668 nan 8.380 nan 0.000 0.478 946 N N 1.926 120.592 118.700 -0.056 0.000 2.091 946 N HA -0.162 4.581 4.740 0.006 0.000 0.193 946 N C 0.453 175.966 175.510 0.006 0.000 1.021 946 N CA 1.327 54.359 53.050 -0.030 0.000 0.862 946 N CB -0.047 38.259 38.487 -0.301 0.000 1.018 946 N HN 0.492 nan 8.380 nan 0.000 0.429 947 N N 0.233 118.924 118.700 -0.014 0.000 2.383 947 N HA -0.029 4.715 4.740 0.006 0.000 0.192 947 N C -0.365 175.157 175.510 0.019 0.000 1.141 947 N CA 0.341 53.401 53.050 0.016 0.000 0.851 947 N CB 0.357 38.849 38.487 0.008 0.000 0.976 947 N HN 0.197 nan 8.380 nan 0.000 0.465 948 D N -0.234 120.177 120.400 0.019 0.000 2.895 948 D HA 0.174 4.818 4.640 0.006 0.000 0.350 948 D C 0.871 177.208 176.300 0.062 0.000 1.389 948 D CA -0.284 53.737 54.000 0.035 0.000 0.812 948 D CB -0.044 40.776 40.800 0.033 0.000 1.164 948 D HN -0.112 nan 8.370 nan 0.000 0.455 949 I N 0.535 121.130 120.570 0.041 0.000 2.439 949 I HA -0.136 4.038 4.170 0.006 0.000 0.251 949 I C 1.860 178.035 176.117 0.097 0.000 1.139 949 I CA 1.334 62.660 61.300 0.044 0.000 1.438 949 I CB 0.209 38.184 38.000 -0.041 0.000 1.085 949 I HN 0.079 nan 8.210 nan 0.000 0.427 950 Q N -0.280 119.555 119.800 0.060 0.000 2.119 950 Q HA -0.121 4.222 4.340 0.006 0.000 0.201 950 Q C 2.238 178.274 176.000 0.060 0.000 0.972 950 Q CA 1.918 57.749 55.803 0.048 0.000 0.847 950 Q CB -0.847 27.906 28.738 0.024 0.000 0.903 950 Q HN 0.452 nan 8.270 nan 0.000 0.433 951 T N 0.685 115.284 114.554 0.075 0.000 2.708 951 T HA -0.187 4.167 4.350 0.006 0.000 0.266 951 T C 1.617 176.387 174.700 0.117 0.000 1.037 951 T CA 1.456 63.602 62.100 0.078 0.000 1.146 951 T CB -0.496 68.414 68.868 0.070 0.000 0.865 951 T HN 0.365 nan 8.240 nan 0.000 0.435 952 Y N 1.559 121.876 120.300 0.029 0.000 2.128 952 Y HA -0.086 4.470 4.550 0.009 0.000 0.284 952 Y C 2.002 177.916 175.900 0.024 0.000 1.154 952 Y CA 1.254 59.385 58.100 0.052 0.000 1.149 952 Y CB -0.412 38.089 38.460 0.069 0.000 0.976 952 Y HN 0.124 nan 8.280 nan 0.000 0.505 953 L N -0.348 120.922 121.223 0.078 0.000 2.156 953 L HA -0.170 4.174 4.340 0.006 0.000 0.208 953 L C 2.088 178.901 176.870 -0.095 0.000 1.095 953 L CA 1.407 56.217 54.840 -0.051 0.000 0.770 953 L CB -0.359 41.708 42.059 0.013 0.000 0.914 953 L HN 0.332 nan 8.230 nan 0.000 0.439 954 Q N -1.238 118.536 119.800 -0.043 0.000 2.378 954 Q HA 0.057 4.401 4.340 0.006 0.000 0.216 954 Q C 0.612 176.591 176.000 -0.034 0.000 0.892 954 Q CA -0.099 55.678 55.803 -0.044 0.000 0.931 954 Q CB 0.432 29.159 28.738 -0.020 0.000 1.086 954 Q HN 0.374 nan 8.270 nan 0.000 0.528 955 N N 2.065 120.760 118.700 -0.009 0.000 2.469 955 N HA 0.026 4.770 4.740 0.006 0.000 0.239 955 N C -1.147 174.401 175.510 0.062 0.000 1.053 955 N CA 0.100 53.177 53.050 0.045 0.000 0.937 955 N CB 0.738 39.276 38.487 0.084 0.000 1.163 955 N HN 0.116 nan 8.380 nan 0.000 0.509 956 E N 4.087 124.292 120.200 0.009 0.000 2.200 956 E HA 0.112 4.466 4.350 0.006 0.000 0.283 956 E C -1.403 175.223 176.600 0.042 0.000 1.015 956 E CA -0.578 55.784 56.400 -0.063 0.000 0.819 956 E CB 0.601 30.243 29.700 -0.096 0.000 1.081 956 E HN 0.565 nan 8.360 nan 0.000 0.397 957 Y N 0.202 120.485 120.300 -0.027 0.000 2.492 957 Y HA 0.434 4.988 4.550 0.005 0.000 0.346 957 Y C -0.432 175.473 175.900 0.009 0.000 0.997 957 Y CA -1.261 56.831 58.100 -0.013 0.000 1.025 957 Y CB 0.943 39.396 38.460 -0.013 0.000 1.263 957 Y HN 0.124 nan 8.280 nan 0.000 0.454 958 T N 4.205 118.829 114.554 0.116 0.000 2.918 958 T HA 0.271 4.625 4.350 0.006 0.000 0.302 958 T C 1.191 175.978 174.700 0.144 0.000 1.045 958 T CA 0.163 62.303 62.100 0.067 0.000 1.114 958 T CB 0.567 69.451 68.868 0.025 0.000 0.965 958 T HN 0.816 nan 8.240 nan 0.000 0.540 959 I N -0.865 119.772 120.570 0.111 0.000 4.338 959 I HA 0.495 4.669 4.170 0.006 0.000 0.315 959 I C -0.101 176.038 176.117 0.036 0.000 1.262 959 I CA -0.033 61.351 61.300 0.139 0.000 1.298 959 I CB 0.513 38.627 38.000 0.190 0.000 1.257 959 I HN 0.348 nan 8.210 nan 0.000 0.444 960 I N 2.078 122.644 120.570 -0.007 0.000 2.569 960 I HA 0.493 4.667 4.170 0.006 0.000 0.290 960 I C -0.808 175.221 176.117 -0.146 0.000 1.088 960 I CA -0.558 60.628 61.300 -0.190 0.000 1.047 960 I CB 2.228 40.137 38.000 -0.153 0.000 1.237 960 I HN 0.268 nan 8.210 nan 0.000 0.421 961 S N 3.766 119.209 115.700 -0.428 0.000 2.556 961 S HA 0.623 5.097 4.470 0.006 0.000 0.271 961 S C -1.278 172.776 174.600 -0.911 0.000 1.135 961 S CA -0.730 57.110 58.200 -0.600 0.000 0.858 961 S CB 2.103 65.092 63.200 -0.351 0.000 1.114 961 S HN 0.767 nan 8.310 nan 0.000 0.468 962 C N 4.307 122.860 119.300 -1.245 0.000 2.978 962 C HA 0.708 5.171 4.460 0.006 0.000 0.274 962 C C -1.355 173.227 174.990 -0.679 0.000 1.087 962 C CA -0.394 58.011 59.018 -1.021 0.000 1.453 962 C CB -1.741 25.141 27.740 -1.430 0.000 1.838 962 C HN 0.794 nan 8.230 nan 0.000 0.470 963 I N 4.067 124.390 120.570 -0.411 0.000 2.730 963 I HA 0.608 4.781 4.170 0.006 0.000 0.298 963 I C -0.553 175.457 176.117 -0.177 0.000 1.089 963 I CA -0.411 60.729 61.300 -0.267 0.000 1.041 963 I CB 2.167 40.031 38.000 -0.227 0.000 1.235 963 I HN 0.577 nan 8.210 nan 0.000 0.423 964 K N 5.196 125.520 120.400 -0.126 0.000 2.565 964 K HA 0.314 4.638 4.320 0.006 0.000 0.251 964 K C -0.615 175.947 176.600 -0.063 0.000 0.956 964 K CA -0.377 55.859 56.287 -0.086 0.000 0.809 964 K CB 1.201 33.658 32.500 -0.073 0.000 1.267 964 K HN 0.641 nan 8.250 nan 0.000 0.438 965 N N 4.028 122.697 118.700 -0.051 0.000 2.727 965 N HA -0.199 4.545 4.740 0.006 0.000 0.249 965 N C -1.003 174.482 175.510 -0.042 0.000 1.048 965 N CA 1.619 54.646 53.050 -0.039 0.000 0.714 965 N CB -0.806 37.664 38.487 -0.028 0.000 0.959 965 N HN 0.976 nan 8.380 nan 0.000 0.544 966 D N -2.331 118.037 120.400 -0.054 0.000 3.079 966 D HA -0.160 4.484 4.640 0.006 0.000 0.214 966 D C -0.137 176.129 176.300 -0.057 0.000 1.145 966 D CA 1.699 55.666 54.000 -0.054 0.000 0.958 966 D CB -1.263 39.513 40.800 -0.040 0.000 1.117 966 D HN 0.545 nan 8.370 nan 0.000 0.416 967 S N -1.124 114.540 115.700 -0.060 0.000 2.521 967 S HA 0.743 5.216 4.470 0.006 0.000 0.295 967 S C 0.235 174.791 174.600 -0.073 0.000 1.098 967 S CA 0.633 58.803 58.200 -0.051 0.000 0.999 967 S CB 2.140 65.323 63.200 -0.027 0.000 1.034 967 S HN 0.665 nan 8.310 nan 0.000 0.483 968 G N 3.383 112.146 108.800 -0.062 0.000 2.439 968 G HA2 0.190 4.154 3.960 0.006 0.000 0.186 968 G HA3 0.190 4.154 3.960 0.006 0.000 0.186 968 G C -1.660 173.229 174.900 -0.019 0.000 1.260 968 G CA -0.123 44.932 45.100 -0.076 0.000 1.020 968 G HN 1.074 nan 8.290 nan 0.000 0.470 969 W N 1.020 122.246 121.300 -0.124 0.000 2.950 969 W HA 0.832 5.495 4.660 0.006 0.000 0.340 969 W C -0.855 175.515 176.519 -0.248 0.000 1.139 969 W CA -1.004 56.162 57.345 -0.299 0.000 1.188 969 W CB 1.630 30.875 29.460 -0.358 0.000 1.426 969 W HN 0.911 nan 8.180 nan 0.000 0.531 970 K N 0.605 121.026 120.400 0.034 0.000 2.502 970 K HA 0.653 4.976 4.320 0.006 0.000 0.257 970 K C -2.099 174.674 176.600 0.287 0.000 0.938 970 K CA -0.871 55.488 56.287 0.120 0.000 0.819 970 K CB 2.332 34.803 32.500 -0.047 0.000 1.333 970 K HN 0.291 nan 8.250 nan 0.000 0.434 971 V N 2.281 122.460 119.914 0.441 0.000 2.394 971 V HA 0.439 4.563 4.120 0.006 0.000 0.282 971 V C -0.344 175.888 176.094 0.230 0.000 1.031 971 V CA -0.338 62.233 62.300 0.451 0.000 0.881 971 V CB 1.141 33.325 31.823 0.601 0.000 0.982 971 V HN 0.979 nan 8.190 nan 0.000 0.451 972 S N 5.482 121.279 115.700 0.162 0.000 2.632 972 S HA 0.824 5.298 4.470 0.006 0.000 0.289 972 S C -0.970 173.580 174.600 -0.084 0.000 1.115 972 S CA -0.837 57.362 58.200 -0.002 0.000 0.889 972 S CB 2.117 65.291 63.200 -0.043 0.000 1.116 972 S HN 0.435 nan 8.310 nan 0.000 0.486 973 I N 0.875 121.213 120.570 -0.387 0.000 2.509 973 I HA 0.515 4.688 4.170 0.006 0.000 0.293 973 I C -0.457 175.311 176.117 -0.581 0.000 1.020 973 I CA -0.532 60.496 61.300 -0.454 0.000 1.088 973 I CB 2.196 39.872 38.000 -0.540 0.000 1.267 973 I HN 0.696 nan 8.210 nan 0.000 0.430 974 K N 5.003 125.182 120.400 -0.369 0.000 2.664 974 K HA 0.481 4.805 4.320 0.006 0.000 0.234 974 K C 0.294 176.641 176.600 -0.422 0.000 0.980 974 K CA 0.073 56.153 56.287 -0.346 0.000 0.996 974 K CB 1.070 33.407 32.500 -0.273 0.000 1.190 974 K HN 0.891 nan 8.250 nan 0.000 0.479 975 G N 3.614 112.061 108.800 -0.590 0.000 2.596 975 G HA2 -0.415 3.549 3.960 0.006 0.000 0.304 975 G HA3 -0.415 3.549 3.960 0.006 0.000 0.304 975 G C 0.212 174.663 174.900 -0.749 0.000 1.189 975 G CA 0.555 44.907 45.100 -1.247 0.000 0.986 975 G HN 0.768 nan 8.290 nan 0.000 0.548 976 N N 1.656 120.052 118.700 -0.506 0.000 2.322 976 N HA 0.145 4.889 4.740 0.006 0.000 0.216 976 N C 0.527 175.574 175.510 -0.772 0.000 1.144 976 N CA 0.323 53.017 53.050 -0.594 0.000 0.830 976 N CB 0.158 38.369 38.487 -0.460 0.000 1.034 976 N HN 0.703 nan 8.380 nan 0.000 0.484 977 R N 0.261 120.499 120.500 -0.436 0.000 2.562 977 R HA 0.465 4.809 4.340 0.006 0.000 0.298 977 R C -1.074 175.189 176.300 -0.062 0.000 0.961 977 R CA -0.869 55.064 56.100 -0.279 0.000 0.881 977 R CB 2.036 32.138 30.300 -0.331 0.000 1.159 977 R HN 0.108 nan 8.270 nan 0.000 0.450 978 I N 3.796 124.451 120.570 0.142 0.000 2.377 978 I HA 0.436 4.610 4.170 0.006 0.000 0.293 978 I C -1.090 175.201 176.117 0.291 0.000 0.987 978 I CA -0.433 61.025 61.300 0.263 0.000 1.185 978 I CB 1.074 39.342 38.000 0.447 0.000 1.341 978 I HN 0.518 nan 8.210 nan 0.000 0.455 979 I N 7.540 128.264 120.570 0.258 0.000 2.533 979 I HA 0.296 4.470 4.170 0.006 0.000 0.290 979 I C -1.357 174.981 176.117 0.368 0.000 1.056 979 I CA -0.551 60.919 61.300 0.285 0.000 1.057 979 I CB 1.770 39.853 38.000 0.139 0.000 1.240 979 I HN 0.618 nan 8.210 nan 0.000 0.423 980 W N 6.669 128.073 121.300 0.172 0.000 2.429 980 W HA 0.572 5.236 4.660 0.006 0.000 0.314 980 W C -1.485 175.126 176.519 0.154 0.000 1.062 980 W CA -0.349 57.096 57.345 0.165 0.000 1.211 980 W CB 1.960 31.485 29.460 0.110 0.000 1.305 980 W HN 0.395 nan 8.180 nan 0.000 0.476 981 T N 6.868 121.172 114.554 -0.417 0.000 2.881 981 T HA 0.499 4.853 4.350 0.006 0.000 0.290 981 T C -0.533 173.879 174.700 -0.479 0.000 1.000 981 T CA -0.541 61.363 62.100 -0.326 0.000 0.978 981 T CB 1.669 70.460 68.868 -0.129 0.000 0.997 981 T HN 0.295 nan 8.240 nan 0.000 0.443 982 L N 3.859 124.917 121.223 -0.275 0.000 2.322 982 L HA 0.667 5.011 4.340 0.006 0.000 0.281 982 L C -0.691 176.144 176.870 -0.057 0.000 1.014 982 L CA -0.861 53.897 54.840 -0.137 0.000 0.815 982 L CB 1.450 43.497 42.059 -0.021 0.000 1.247 982 L HN 0.502 nan 8.230 nan 0.000 0.421 983 I N 2.172 122.720 120.570 -0.037 0.000 2.466 983 I HA 0.258 4.432 4.170 0.006 0.000 0.289 983 I C -0.651 175.462 176.117 -0.006 0.000 1.026 983 I CA -0.834 60.451 61.300 -0.026 0.000 1.078 983 I CB 2.042 40.015 38.000 -0.044 0.000 1.249 983 I HN 0.583 nan 8.210 nan 0.000 0.429 984 D N 5.367 125.769 120.400 0.003 0.000 2.447 984 D HA 0.094 4.737 4.640 0.006 0.000 0.265 984 D C 1.142 177.442 176.300 -0.000 0.000 1.250 984 D CA -0.571 53.435 54.000 0.010 0.000 1.046 984 D CB 0.684 41.494 40.800 0.017 0.000 1.095 984 D HN 0.316 nan 8.370 nan 0.000 0.555 985 V N -2.511 117.405 119.914 0.003 0.000 3.078 985 V HA -0.046 4.077 4.120 0.006 0.000 0.265 985 V C 0.835 176.926 176.094 -0.004 0.000 1.122 985 V CA 1.307 63.605 62.300 -0.002 0.000 1.141 985 V CB -1.463 30.361 31.823 0.002 0.000 0.735 985 V HN 0.461 nan 8.190 nan 0.000 0.498 986 N N 0.565 119.264 118.700 -0.002 0.000 2.230 986 N HA 0.564 5.307 4.740 0.006 0.000 0.202 986 N C 0.929 176.435 175.510 -0.006 0.000 1.119 986 N CA 0.558 53.606 53.050 -0.003 0.000 0.851 986 N CB 0.653 39.141 38.487 0.001 0.000 0.990 986 N HN 0.580 nan 8.380 nan 0.000 0.497 987 A N 0.777 123.591 122.820 -0.010 0.000 2.945 987 A HA -0.259 4.064 4.320 0.006 0.000 0.251 987 A C 0.412 177.989 177.584 -0.011 0.000 1.355 987 A CA 0.827 52.856 52.037 -0.014 0.000 0.905 987 A CB -2.071 16.920 19.000 -0.016 0.000 1.104 987 A HN 0.392 nan 8.150 nan 0.000 0.733 988 K N 1.173 121.570 120.400 -0.005 0.000 2.276 988 K HA 0.499 4.822 4.320 0.006 0.000 0.285 988 K C 0.364 176.962 176.600 -0.002 0.000 1.062 988 K CA 0.520 56.806 56.287 -0.002 0.000 0.918 988 K CB 0.430 32.933 32.500 0.004 0.000 1.055 988 K HN 0.869 nan 8.250 nan 0.000 0.477 989 S N 3.451 119.148 115.700 -0.004 0.000 2.568 989 S HA 0.525 4.999 4.470 0.006 0.000 0.302 989 S C -1.004 173.599 174.600 0.004 0.000 1.082 989 S CA -0.919 57.276 58.200 -0.008 0.000 1.009 989 S CB 1.875 65.063 63.200 -0.019 0.000 1.069 989 S HN 0.686 nan 8.310 nan 0.000 0.500 990 K N 0.817 121.220 120.400 0.006 0.000 2.501 990 K HA 0.602 4.925 4.320 0.006 0.000 0.252 990 K C -1.446 175.174 176.600 0.034 0.000 0.934 990 K CA -0.379 55.925 56.287 0.027 0.000 0.797 990 K CB 2.062 34.585 32.500 0.038 0.000 1.270 990 K HN 0.742 nan 8.250 nan 0.000 0.431 991 S N 2.937 118.680 115.700 0.071 0.000 2.566 991 S HA 0.612 5.086 4.470 0.006 0.000 0.298 991 S C -1.128 173.580 174.600 0.180 0.000 1.083 991 S CA -0.818 57.452 58.200 0.117 0.000 0.978 991 S CB 1.315 64.587 63.200 0.121 0.000 1.073 991 S HN 0.629 nan 8.310 nan 0.000 0.491 992 I N 2.415 123.129 120.570 0.239 0.000 2.828 992 I HA 0.805 4.978 4.170 0.006 0.000 0.302 992 I C -1.880 174.397 176.117 0.266 0.000 1.101 992 I CA -1.183 60.218 61.300 0.168 0.000 1.031 992 I CB 1.434 39.506 38.000 0.120 0.000 1.231 992 I HN 0.771 nan 8.210 nan 0.000 0.427 993 F N 4.888 124.895 119.950 0.096 0.000 2.662 993 F HA 0.630 5.160 4.527 0.005 0.000 0.312 993 F C -2.116 173.757 175.800 0.121 0.000 1.113 993 F CA -1.165 56.896 58.000 0.102 0.000 0.951 993 F CB 1.176 40.197 39.000 0.035 0.000 1.344 993 F HN 0.332 nan 8.300 nan 0.000 0.462 994 F N 1.970 122.039 119.950 0.198 0.000 2.467 994 F HA 0.590 5.121 4.527 0.006 0.000 0.336 994 F C -0.839 175.047 175.800 0.144 0.000 1.123 994 F CA -0.636 57.403 58.000 0.065 0.000 0.964 994 F CB 1.598 40.585 39.000 -0.022 0.000 1.136 994 F HN 0.797 nan 8.300 nan 0.000 0.447 995 E N 6.239 126.075 120.200 -0.607 0.000 2.176 995 E HA 0.338 4.691 4.350 0.006 0.000 0.267 995 E C -1.740 174.248 176.600 -1.019 0.000 0.893 995 E CA -0.800 55.199 56.400 -0.669 0.000 0.761 995 E CB 1.237 30.800 29.700 -0.229 0.000 1.133 995 E HN 0.616 nan 8.360 nan 0.000 0.409 996 Y N 1.360 121.195 120.300 -0.774 0.000 2.457 996 Y HA 0.534 5.086 4.550 0.004 0.000 0.333 996 Y C 0.263 176.072 175.900 -0.152 0.000 1.119 996 Y CA -1.377 56.400 58.100 -0.539 0.000 1.143 996 Y CB 0.970 39.100 38.460 -0.549 0.000 1.230 996 Y HN 0.308 nan 8.280 nan 0.000 0.469 997 S N 1.860 117.656 115.700 0.159 0.000 2.572 997 S HA 0.231 4.705 4.470 0.006 0.000 0.279 997 S C 0.433 175.211 174.600 0.298 0.000 1.341 997 S CA -0.423 57.875 58.200 0.163 0.000 1.043 997 S CB -0.290 63.008 63.200 0.163 0.000 0.887 997 S HN 0.814 nan 8.310 nan 0.000 0.516 998 I N 0.639 121.340 120.570 0.217 0.000 3.762 998 I HA 0.462 4.636 4.170 0.006 0.000 0.333 998 I C 0.322 176.567 176.117 0.214 0.000 1.566 998 I CA -0.396 61.075 61.300 0.285 0.000 1.129 998 I CB 0.018 38.113 38.000 0.159 0.000 1.218 998 I HN 0.456 nan 8.210 nan 0.000 0.456 999 K N 0.339 120.856 120.400 0.195 0.000 2.438 999 K HA 0.248 4.572 4.320 0.006 0.000 0.206 999 K C -0.510 176.204 176.600 0.189 0.000 1.081 999 K CA -0.372 56.013 56.287 0.164 0.000 1.053 999 K CB 0.654 33.210 32.500 0.093 0.000 0.908 999 K HN 0.220 nan 8.250 nan 0.000 0.556 1000 D N 1.281 121.818 120.400 0.229 0.000 2.302 1000 D HA 0.072 4.715 4.640 0.006 0.000 0.248 1000 D C 0.850 177.307 176.300 0.262 0.000 1.094 1000 D CA -0.056 54.073 54.000 0.216 0.000 0.897 1000 D CB 0.924 41.851 40.800 0.212 0.000 1.200 1000 D HN -0.107 nan 8.370 nan 0.000 0.429 1001 N N 0.848 119.680 118.700 0.220 0.000 2.094 1001 N HA -0.094 4.649 4.740 0.006 0.000 0.191 1001 N C 0.268 175.956 175.510 0.297 0.000 1.023 1001 N CA 1.054 54.250 53.050 0.244 0.000 0.857 1001 N CB 0.224 38.822 38.487 0.184 0.000 1.013 1001 N HN 0.443 nan 8.380 nan 0.000 0.426 1002 I N -0.305 120.419 120.570 0.257 0.000 2.533 1002 I HA 0.167 4.340 4.170 0.006 0.000 0.290 1002 I C -0.275 175.951 176.117 0.182 0.000 1.056 1002 I CA -0.531 60.910 61.300 0.234 0.000 1.057 1002 I CB 1.822 39.971 38.000 0.249 0.000 1.240 1002 I HN -0.213 nan 8.210 nan 0.000 0.423 1003 S N 3.520 119.315 115.700 0.158 0.000 2.472 1003 S HA 0.366 4.839 4.470 0.006 0.000 0.303 1003 S C 0.310 174.842 174.600 -0.113 0.000 1.099 1003 S CA -0.493 57.778 58.200 0.118 0.000 1.077 1003 S CB 1.085 64.439 63.200 0.257 0.000 1.031 1003 S HN 0.494 nan 8.310 nan 0.000 0.487 1004 D N 3.075 123.312 120.400 -0.270 0.000 2.363 1004 D HA 0.116 4.760 4.640 0.006 0.000 0.226 1004 D C 0.165 175.992 176.300 -0.787 0.000 1.020 1004 D CA 0.976 54.607 54.000 -0.616 0.000 0.892 1004 D CB 0.061 40.359 40.800 -0.838 0.000 0.900 1004 D HN 0.661 nan 8.370 nan 0.000 0.531 1005 Y N -0.415 119.773 120.300 -0.186 0.000 2.723 1005 Y HA 0.312 4.864 4.550 0.005 0.000 0.272 1005 Y C 0.999 176.788 175.900 -0.185 0.000 1.142 1005 Y CA -0.619 57.271 58.100 -0.349 0.000 1.217 1005 Y CB 0.311 38.189 38.460 -0.970 0.000 1.391 1005 Y HN -0.217 nan 8.280 nan 0.000 0.479 1006 I N 2.826 123.430 120.570 0.056 0.000 2.752 1006 I HA -0.156 4.017 4.170 0.006 0.000 0.286 1006 I C 0.705 177.045 176.117 0.371 0.000 1.180 1006 I CA 0.786 62.243 61.300 0.261 0.000 1.404 1006 I CB -0.076 38.183 38.000 0.430 0.000 1.389 1006 I HN 0.451 nan 8.210 nan 0.000 0.549 1007 N N 3.824 122.696 118.700 0.287 0.000 2.778 1007 N HA -0.217 4.527 4.740 0.006 0.000 0.249 1007 N C -0.655 174.990 175.510 0.224 0.000 1.069 1007 N CA 1.362 54.520 53.050 0.179 0.000 0.831 1007 N CB -0.535 38.005 38.487 0.089 0.000 1.142 1007 N HN 0.604 nan 8.380 nan 0.000 0.573 1008 K N -0.548 120.034 120.400 0.305 0.000 2.207 1008 K HA 0.258 4.582 4.320 0.006 0.000 0.255 1008 K C -0.501 176.319 176.600 0.368 0.000 0.941 1008 K CA -0.695 55.802 56.287 0.350 0.000 0.825 1008 K CB 0.782 33.459 32.500 0.293 0.000 1.119 1008 K HN 0.090 nan 8.250 nan 0.000 0.430 1009 W N 3.715 125.261 121.300 0.409 0.000 2.347 1009 W HA 0.018 4.682 4.660 0.007 0.000 0.333 1009 W C 0.172 177.074 176.519 0.639 0.000 1.383 1009 W CA 0.043 57.664 57.345 0.459 0.000 1.283 1009 W CB 0.038 29.758 29.460 0.433 0.000 1.253 1009 W HN 0.423 nan 8.180 nan 0.000 0.563 1010 F N 1.494 121.861 119.950 0.694 0.000 2.613 1010 F HA 0.630 5.161 4.527 0.007 0.000 0.310 1010 F C -0.572 175.176 175.800 -0.086 0.000 1.085 1010 F CA -1.750 56.429 58.000 0.298 0.000 0.945 1010 F CB 0.992 40.130 39.000 0.230 0.000 1.298 1010 F HN 0.054 nan 8.300 nan 0.000 0.455 1011 S N 2.987 118.338 115.700 -0.582 0.000 2.525 1011 S HA 0.705 5.179 4.470 0.006 0.000 0.278 1011 S C -0.835 173.471 174.600 -0.491 0.000 1.234 1011 S CA -0.521 56.991 58.200 -1.146 0.000 1.058 1011 S CB 0.618 62.894 63.200 -1.541 0.000 0.983 1011 S HN 0.817 nan 8.310 nan 0.000 0.495 1012 I N 3.507 123.747 120.570 -0.551 0.000 2.608 1012 I HA 0.571 4.744 4.170 0.006 0.000 0.295 1012 I C -1.178 174.677 176.117 -0.436 0.000 1.049 1012 I CA -0.169 60.869 61.300 -0.437 0.000 1.063 1012 I CB 2.290 40.025 38.000 -0.443 0.000 1.248 1012 I HN 0.602 nan 8.210 nan 0.000 0.424 1013 T N 7.661 122.040 114.554 -0.292 0.000 2.937 1013 T HA 0.565 4.918 4.350 0.006 0.000 0.297 1013 T C -0.735 173.835 174.700 -0.217 0.000 0.991 1013 T CA -0.228 61.721 62.100 -0.252 0.000 0.990 1013 T CB 1.218 69.926 68.868 -0.267 0.000 0.991 1013 T HN 0.280 nan 8.240 nan 0.000 0.440 1014 I N 3.475 123.816 120.570 -0.382 0.000 2.378 1014 I HA 0.504 4.677 4.170 0.006 0.000 0.291 1014 I C 0.675 176.425 176.117 -0.611 0.000 0.992 1014 I CA -0.393 60.556 61.300 -0.584 0.000 1.154 1014 I CB 1.932 39.259 38.000 -1.122 0.000 1.315 1014 I HN 0.691 nan 8.210 nan 0.000 0.448 1015 T N 1.765 116.057 114.554 -0.436 0.000 2.912 1015 T HA 0.740 5.094 4.350 0.006 0.000 0.288 1015 T C -0.645 173.834 174.700 -0.368 0.000 1.030 1015 T CA -0.866 61.000 62.100 -0.390 0.000 1.020 1015 T CB 1.918 70.682 68.868 -0.173 0.000 1.056 1015 T HN 0.467 nan 8.240 nan 0.000 0.480 1016 N N 0.744 119.241 118.700 -0.338 0.000 2.324 1016 N HA 0.499 5.243 4.740 0.006 0.000 0.285 1016 N C -1.745 173.732 175.510 -0.055 0.000 1.076 1016 N CA -0.603 52.351 53.050 -0.161 0.000 0.864 1016 N CB 2.214 40.634 38.487 -0.112 0.000 1.632 1016 N HN 0.981 nan 8.380 nan 0.000 0.478 1017 D N -0.335 120.066 120.400 0.003 0.000 2.689 1017 D HA 0.410 5.054 4.640 0.006 0.000 0.255 1017 D C 0.427 176.763 176.300 0.060 0.000 1.113 1017 D CA -0.587 53.432 54.000 0.032 0.000 1.115 1017 D CB 0.855 41.661 40.800 0.011 0.000 1.334 1017 D HN 0.565 nan 8.370 nan 0.000 0.621 1018 R N -0.338 120.195 120.500 0.054 0.000 2.362 1018 R HA 0.301 4.645 4.340 0.006 0.000 0.227 1018 R C 1.555 177.881 176.300 0.043 0.000 0.905 1018 R CA -0.270 55.865 56.100 0.059 0.000 1.067 1018 R CB -0.458 29.877 30.300 0.058 0.000 1.078 1018 R HN 0.412 nan 8.270 nan 0.000 0.516 1019 L N 1.016 122.259 121.223 0.032 0.000 2.046 1019 L HA 0.050 4.394 4.340 0.006 0.000 0.208 1019 L C 0.631 177.515 176.870 0.025 0.000 1.077 1019 L CA 1.489 56.343 54.840 0.023 0.000 0.747 1019 L CB -0.115 41.952 42.059 0.013 0.000 0.896 1019 L HN 0.374 nan 8.230 nan 0.000 0.432 1020 G N -0.527 108.292 108.800 0.030 0.000 2.530 1020 G HA2 0.377 4.341 3.960 0.006 0.000 0.316 1020 G HA3 0.377 4.341 3.960 0.006 0.000 0.316 1020 G C -1.459 173.459 174.900 0.030 0.000 1.298 1020 G CA -0.570 44.552 45.100 0.037 0.000 0.948 1020 G HN 0.017 nan 8.290 nan 0.000 0.486 1021 N N 0.007 118.717 118.700 0.016 0.000 2.405 1021 N HA 0.687 5.431 4.740 0.006 0.000 0.299 1021 N C -0.292 175.216 175.510 -0.004 0.000 1.075 1021 N CA -0.272 52.778 53.050 0.000 0.000 0.884 1021 N CB 2.106 40.580 38.487 -0.022 0.000 1.194 1021 N HN 0.703 nan 8.380 nan 0.000 0.491 1022 A N 1.850 124.670 122.820 -0.001 0.000 2.318 1022 A HA 0.695 5.019 4.320 0.006 0.000 0.324 1022 A C -0.694 176.833 177.584 -0.095 0.000 1.170 1022 A CA -0.664 51.361 52.037 -0.020 0.000 0.810 1022 A CB 0.233 19.299 19.000 0.109 0.000 1.198 1022 A HN 0.729 nan 8.150 nan 0.000 0.484 1023 N N 0.714 119.313 118.700 -0.169 0.000 2.238 1023 N HA 0.632 5.376 4.740 0.006 0.000 0.302 1023 N C -1.265 174.070 175.510 -0.290 0.000 1.072 1023 N CA -0.344 52.559 53.050 -0.245 0.000 0.792 1023 N CB 1.859 40.203 38.487 -0.237 0.000 1.425 1023 N HN 0.536 nan 8.380 nan 0.000 0.478 1024 I N 2.208 122.567 120.570 -0.351 0.000 2.389 1024 I HA 0.321 4.495 4.170 0.006 0.000 0.288 1024 I C -0.948 174.907 176.117 -0.437 0.000 0.999 1024 I CA -0.697 60.424 61.300 -0.298 0.000 1.129 1024 I CB 0.754 38.640 38.000 -0.190 0.000 1.288 1024 I HN 0.393 nan 8.210 nan 0.000 0.444 1025 Y N 6.176 126.292 120.300 -0.307 0.000 2.360 1025 Y HA 0.517 5.071 4.550 0.006 0.000 0.337 1025 Y C 0.097 175.753 175.900 -0.405 0.000 1.039 1025 Y CA -0.867 57.035 58.100 -0.331 0.000 1.109 1025 Y CB 1.723 40.000 38.460 -0.305 0.000 1.201 1025 Y HN 0.262 nan 8.280 nan 0.000 0.458 1026 I N 3.551 123.910 120.570 -0.351 0.000 2.436 1026 I HA 0.173 4.347 4.170 0.006 0.000 0.289 1026 I C -0.332 175.531 176.117 -0.423 0.000 1.010 1026 I CA -0.972 60.053 61.300 -0.457 0.000 1.098 1026 I CB 1.421 38.883 38.000 -0.897 0.000 1.266 1026 I HN 0.765 nan 8.210 nan 0.000 0.434 1027 N N 5.065 123.483 118.700 -0.470 0.000 2.725 1027 N HA -0.207 4.537 4.740 0.006 0.000 0.251 1027 N C 1.126 175.879 175.510 -1.262 0.000 1.031 1027 N CA 1.320 53.853 53.050 -0.863 0.000 0.720 1027 N CB -0.881 37.299 38.487 -0.512 0.000 0.930 1027 N HN 1.141 nan 8.380 nan 0.000 0.543 1028 G N -2.011 106.297 108.800 -0.820 0.000 2.205 1028 G HA2 -0.295 3.669 3.960 0.006 0.000 0.261 1028 G HA3 -0.295 3.669 3.960 0.006 0.000 0.261 1028 G C 0.034 174.794 174.900 -0.233 0.000 0.980 1028 G CA 0.797 45.585 45.100 -0.520 0.000 0.632 1028 G HN 1.103 nan 8.290 nan 0.000 0.533 1029 S N -0.254 115.318 115.700 -0.212 0.000 2.482 1029 S HA 0.693 5.166 4.470 0.006 0.000 0.303 1029 S C 0.287 174.819 174.600 -0.113 0.000 1.091 1029 S CA -0.691 57.447 58.200 -0.104 0.000 1.057 1029 S CB 1.211 64.314 63.200 -0.162 0.000 1.031 1029 S HN 0.795 nan 8.310 nan 0.000 0.485 1030 L N 5.202 126.331 121.223 -0.157 0.000 2.513 1030 L HA 0.218 4.561 4.340 0.006 0.000 0.272 1030 L C 0.693 177.339 176.870 -0.373 0.000 1.187 1030 L CA 0.105 54.614 54.840 -0.553 0.000 0.895 1030 L CB 0.362 42.124 42.059 -0.494 0.000 1.147 1030 L HN 0.800 nan 8.230 nan 0.000 0.483 1031 K N 3.828 123.983 120.400 -0.408 0.000 2.424 1031 K HA 0.292 4.615 4.320 0.006 0.000 0.198 1031 K C -0.137 176.336 176.600 -0.211 0.000 1.190 1031 K CA 0.486 56.624 56.287 -0.248 0.000 0.935 1031 K CB 0.830 33.185 32.500 -0.243 0.000 1.087 1031 K HN 0.501 nan 8.250 nan 0.000 0.524 1032 K N 0.031 120.262 120.400 -0.282 0.000 2.556 1032 K HA 0.358 4.682 4.320 0.006 0.000 0.274 1032 K C -1.378 175.064 176.600 -0.263 0.000 0.966 1032 K CA -0.456 55.686 56.287 -0.242 0.000 0.865 1032 K CB 2.496 34.858 32.500 -0.230 0.000 1.444 1032 K HN -0.102 nan 8.250 nan 0.000 0.433 1033 S N 1.606 117.187 115.700 -0.198 0.000 2.599 1033 S HA 0.291 4.765 4.470 0.006 0.000 0.269 1033 S C -1.934 172.601 174.600 -0.107 0.000 1.135 1033 S CA -0.614 57.487 58.200 -0.165 0.000 1.027 1033 S CB 0.631 63.722 63.200 -0.181 0.000 1.129 1033 S HN 0.570 nan 8.310 nan 0.000 0.458 1034 E N 2.972 123.129 120.200 -0.072 0.000 2.416 1034 E HA 0.511 4.865 4.350 0.006 0.000 0.273 1034 E C -1.087 175.508 176.600 -0.009 0.000 0.935 1034 E CA -1.280 55.096 56.400 -0.040 0.000 0.784 1034 E CB 1.703 31.381 29.700 -0.037 0.000 1.301 1034 E HN 0.584 nan 8.360 nan 0.000 0.454 1035 K N 0.902 121.301 120.400 -0.001 0.000 2.168 1035 K HA 0.555 4.879 4.320 0.006 0.000 0.239 1035 K C -0.296 176.319 176.600 0.026 0.000 0.999 1035 K CA -0.608 55.690 56.287 0.017 0.000 0.900 1035 K CB 1.119 33.626 32.500 0.012 0.000 1.111 1035 K HN 0.430 nan 8.250 nan 0.000 0.452 1040 D N 1.405 121.822 120.400 0.029 0.000 2.481 1040 D HA 0.490 5.134 4.640 0.006 0.000 0.283 1040 D C -0.340 175.981 176.300 0.036 0.000 1.192 1040 D CA -0.431 53.586 54.000 0.028 0.000 1.100 1040 D CB 0.634 41.446 40.800 0.020 0.000 1.166 1040 D HN 0.578 nan 8.370 nan 0.000 0.584 1041 R N 0.983 121.502 120.500 0.032 0.000 2.410 1041 R HA 0.284 4.628 4.340 0.006 0.000 0.288 1041 R C -0.972 175.352 176.300 0.039 0.000 1.051 1041 R CA -0.257 55.866 56.100 0.038 0.000 1.021 1041 R CB 0.232 30.550 30.300 0.031 0.000 1.032 1041 R HN 0.363 nan 8.270 nan 0.000 0.481 1042 I N 4.214 124.817 120.570 0.055 0.000 2.355 1042 I HA 0.200 4.374 4.170 0.006 0.000 0.288 1042 I C 0.022 176.167 176.117 0.047 0.000 0.999 1042 I CA -1.125 60.210 61.300 0.059 0.000 1.163 1042 I CB 0.880 38.943 38.000 0.105 0.000 1.316 1042 I HN 0.405 nan 8.210 nan 0.000 0.454 1043 N N 3.704 122.415 118.700 0.018 0.000 2.416 1043 N HA 0.088 4.831 4.740 0.006 0.000 0.246 1043 N C 0.153 175.660 175.510 -0.006 0.000 1.260 1043 N CA 0.168 53.218 53.050 0.000 0.000 0.897 1043 N CB 0.710 39.184 38.487 -0.022 0.000 1.110 1043 N HN 0.677 nan 8.380 nan 0.000 0.439 1044 S N -0.975 114.718 115.700 -0.013 0.000 2.454 1044 S HA 0.552 5.025 4.470 0.006 0.000 0.306 1044 S C -0.200 174.371 174.600 -0.048 0.000 1.100 1044 S CA -0.861 57.323 58.200 -0.026 0.000 1.087 1044 S CB 1.645 64.836 63.200 -0.015 0.000 1.019 1044 S HN 0.358 nan 8.310 nan 0.000 0.480 1045 S N 1.486 117.136 115.700 -0.083 0.000 2.593 1045 S HA 0.424 4.898 4.470 0.006 0.000 0.297 1045 S C 0.720 175.284 174.600 -0.060 0.000 1.112 1045 S CA -0.873 57.273 58.200 -0.090 0.000 1.043 1045 S CB 0.732 63.839 63.200 -0.156 0.000 1.054 1045 S HN 0.754 nan 8.310 nan 0.000 0.516 1046 N N 1.952 120.630 118.700 -0.037 0.000 2.457 1046 N HA 0.055 4.799 4.740 0.006 0.000 0.180 1046 N C -0.726 174.765 175.510 -0.031 0.000 1.050 1046 N CA 0.681 53.728 53.050 -0.005 0.000 0.906 1046 N CB -0.041 38.463 38.487 0.030 0.000 0.968 1046 N HN 0.567 nan 8.380 nan 0.000 0.445 1047 D N 0.311 120.652 120.400 -0.098 0.000 2.192 1047 D HA 0.391 5.035 4.640 0.006 0.000 0.246 1047 D C -0.004 176.175 176.300 -0.202 0.000 1.042 1047 D CA -0.267 53.621 54.000 -0.187 0.000 0.847 1047 D CB 1.988 42.639 40.800 -0.247 0.000 1.186 1047 D HN -0.070 nan 8.370 nan 0.000 0.461 1048 I N 1.943 122.408 120.570 -0.175 0.000 2.355 1048 I HA 0.174 4.348 4.170 0.006 0.000 0.288 1048 I C -0.469 175.488 176.117 -0.268 0.000 0.999 1048 I CA -0.775 60.376 61.300 -0.249 0.000 1.163 1048 I CB 1.398 39.335 38.000 -0.104 0.000 1.316 1048 I HN -0.008 nan 8.210 nan 0.000 0.454 1049 D N 6.724 126.904 120.400 -0.367 0.000 2.280 1049 D HA 0.354 4.998 4.640 0.006 0.000 0.236 1049 D C -0.779 175.309 176.300 -0.353 0.000 1.082 1049 D CA 0.053 53.909 54.000 -0.240 0.000 0.834 1049 D CB 1.100 41.786 40.800 -0.189 0.000 1.100 1049 D HN 0.139 nan 8.370 nan 0.000 0.486 1050 F N 2.466 122.334 119.950 -0.137 0.000 2.361 1050 F HA 0.396 4.927 4.527 0.006 0.000 0.364 1050 F C 0.819 176.593 175.800 -0.044 0.000 1.120 1050 F CA -0.508 57.447 58.000 -0.075 0.000 1.102 1050 F CB 1.024 39.975 39.000 -0.082 0.000 1.183 1050 F HN -0.035 nan 8.300 nan 0.000 0.476 1051 K N 3.141 123.604 120.400 0.105 0.000 2.636 1051 K HA 0.327 4.651 4.320 0.006 0.000 0.268 1051 K C -2.074 174.568 176.600 0.070 0.000 0.958 1051 K CA -0.858 55.467 56.287 0.064 0.000 0.875 1051 K CB 1.241 33.749 32.500 0.014 0.000 1.382 1051 K HN 0.380 nan 8.250 nan 0.000 0.405 1052 L N 4.653 125.916 121.223 0.065 0.000 2.361 1052 L HA 0.311 4.654 4.340 0.006 0.000 0.278 1052 L C -0.253 176.647 176.870 0.051 0.000 1.113 1052 L CA 0.142 55.032 54.840 0.083 0.000 0.849 1052 L CB 0.456 42.502 42.059 -0.021 0.000 1.155 1052 L HN 0.392 nan 8.230 nan 0.000 0.452 1053 I N 4.555 125.182 120.570 0.095 0.000 2.406 1053 I HA 0.348 4.522 4.170 0.006 0.000 0.290 1053 I C 0.335 176.502 176.117 0.085 0.000 0.999 1053 I CA -0.444 60.888 61.300 0.054 0.000 1.124 1053 I CB 1.409 39.425 38.000 0.026 0.000 1.289 1053 I HN 0.608 nan 8.210 nan 0.000 0.441 1054 N N 1.630 120.355 118.700 0.041 0.000 2.850 1054 N HA -0.180 4.564 4.740 0.006 0.000 0.249 1054 N C -0.033 175.507 175.510 0.051 0.000 1.060 1054 N CA 0.490 53.566 53.050 0.043 0.000 0.825 1054 N CB -1.496 37.023 38.487 0.053 0.000 1.132 1054 N HN 0.702 nan 8.380 nan 0.000 0.564 1055 C N 1.709 120.997 119.300 -0.019 0.000 2.499 1055 C HA 0.445 4.909 4.460 0.006 0.000 0.386 1055 C C 2.187 177.105 174.990 -0.121 0.000 1.293 1055 C CA 0.560 59.477 59.018 -0.169 0.000 1.884 1055 C CB -0.129 27.274 27.740 -0.561 0.000 2.509 1055 C HN 0.532 nan 8.230 nan 0.000 0.566 1056 T N 0.091 114.596 114.554 -0.080 0.000 3.060 1056 T HA 0.090 4.443 4.350 0.006 0.000 0.249 1056 T C 0.157 174.824 174.700 -0.054 0.000 1.079 1056 T CA 0.174 62.244 62.100 -0.048 0.000 1.013 1056 T CB -0.229 68.630 68.868 -0.016 0.000 0.975 1056 T HN 0.756 nan 8.240 nan 0.000 0.518 1057 D N 2.716 123.064 120.400 -0.086 0.000 2.359 1057 D HA 0.188 4.832 4.640 0.006 0.000 0.230 1057 D C 1.469 177.723 176.300 -0.077 0.000 1.118 1057 D CA -0.157 53.804 54.000 -0.065 0.000 0.844 1057 D CB 1.685 42.452 40.800 -0.055 0.000 1.059 1057 D HN 0.242 nan 8.370 nan 0.000 0.493 1058 T N -0.328 114.198 114.554 -0.047 0.000 3.051 1058 T HA -0.151 4.202 4.350 0.006 0.000 0.269 1058 T C 1.535 176.221 174.700 -0.024 0.000 1.127 1058 T CA 1.371 63.447 62.100 -0.041 0.000 1.107 1058 T CB -0.390 68.462 68.868 -0.027 0.000 0.898 1058 T HN 0.411 nan 8.240 nan 0.000 0.517 1059 T N -2.162 112.386 114.554 -0.010 0.000 3.107 1059 T HA 0.264 4.618 4.350 0.006 0.000 0.249 1059 T C 0.638 175.378 174.700 0.068 0.000 1.096 1059 T CA -0.449 61.672 62.100 0.035 0.000 1.012 1059 T CB -0.172 68.722 68.868 0.042 0.000 0.977 1059 T HN 0.228 nan 8.240 nan 0.000 0.527 1060 K N 2.033 122.415 120.400 -0.030 0.000 2.382 1060 K HA 0.434 4.758 4.320 0.006 0.000 0.275 1060 K C -0.432 176.164 176.600 -0.006 0.000 1.009 1060 K CA -0.668 55.551 56.287 -0.113 0.000 0.970 1060 K CB -0.071 32.269 32.500 -0.267 0.000 0.934 1060 K HN 0.490 nan 8.250 nan 0.000 0.479 1061 F N 0.251 120.155 119.950 -0.077 0.000 2.662 1061 F HA 0.735 5.265 4.527 0.006 0.000 0.312 1061 F C -1.486 174.283 175.800 -0.051 0.000 1.113 1061 F CA -1.320 56.611 58.000 -0.114 0.000 0.951 1061 F CB 1.179 40.069 39.000 -0.183 0.000 1.344 1061 F HN 0.076 nan 8.300 nan 0.000 0.462 1062 V N 0.861 120.834 119.914 0.099 0.000 2.808 1062 V HA 0.317 4.441 4.120 0.006 0.000 0.308 1062 V C -1.565 174.551 176.094 0.038 0.000 1.099 1062 V CA -0.910 61.447 62.300 0.094 0.000 0.920 1062 V CB 1.802 33.717 31.823 0.153 0.000 1.014 1062 V HN 0.860 nan 8.190 nan 0.000 0.425 1063 W N 4.048 125.378 121.300 0.049 0.000 2.438 1063 W HA 0.816 5.480 4.660 0.006 0.000 0.324 1063 W C -0.272 176.256 176.519 0.015 0.000 1.119 1063 W CA -0.252 57.072 57.345 -0.035 0.000 1.221 1063 W CB 1.429 30.750 29.460 -0.232 0.000 1.253 1063 W HN 0.361 nan 8.180 nan 0.000 0.555 1064 I N 3.350 124.035 120.570 0.192 0.000 2.647 1064 I HA 0.444 4.618 4.170 0.006 0.000 0.295 1064 I C -0.480 175.699 176.117 0.104 0.000 1.078 1064 I CA -1.192 60.184 61.300 0.126 0.000 1.048 1064 I CB 2.136 39.879 38.000 -0.428 0.000 1.239 1064 I HN 0.390 nan 8.210 nan 0.000 0.421 1065 K N 2.640 123.217 120.400 0.294 0.000 2.533 1065 K HA 0.482 4.806 4.320 0.006 0.000 0.272 1065 K C -1.265 175.476 176.600 0.235 0.000 0.985 1065 K CA -0.750 55.586 56.287 0.081 0.000 0.876 1065 K CB 1.693 33.967 32.500 -0.377 0.000 1.452 1065 K HN 0.430 nan 8.250 nan 0.000 0.439 1066 D N 0.417 120.918 120.400 0.169 0.000 2.689 1066 D HA -0.220 4.424 4.640 0.006 0.000 0.237 1066 D C -1.047 175.499 176.300 0.409 0.000 1.148 1066 D CA 0.981 55.115 54.000 0.224 0.000 0.656 1066 D CB -1.117 39.750 40.800 0.112 0.000 1.050 1066 D HN 0.491 nan 8.370 nan 0.000 0.426 1067 F N 1.244 121.395 119.950 0.336 0.000 2.467 1067 F HA 0.303 4.834 4.527 0.006 0.000 0.362 1067 F C 0.476 176.449 175.800 0.287 0.000 1.090 1067 F CA -0.078 58.165 58.000 0.404 0.000 1.202 1067 F CB 0.493 39.751 39.000 0.430 0.000 1.113 1067 F HN -0.147 nan 8.300 nan 0.000 0.541 1068 N N 5.908 124.373 118.700 -0.392 0.000 2.235 1068 N HA 0.491 5.234 4.740 0.006 0.000 0.293 1068 N C -1.613 173.566 175.510 -0.552 0.000 1.083 1068 N CA -0.703 52.137 53.050 -0.350 0.000 0.801 1068 N CB 1.983 40.327 38.487 -0.238 0.000 1.559 1068 N HN 0.274 nan 8.380 nan 0.000 0.472 1069 I N 1.992 122.313 120.570 -0.415 0.000 2.441 1069 I HA 0.464 4.638 4.170 0.006 0.000 0.295 1069 I C -0.893 174.949 176.117 -0.459 0.000 0.994 1069 I CA -0.385 60.775 61.300 -0.233 0.000 1.144 1069 I CB 0.845 38.871 38.000 0.042 0.000 1.314 1069 I HN 0.426 nan 8.210 nan 0.000 0.445 1070 F N 1.810 121.782 119.950 0.036 0.000 2.532 1070 F HA 0.472 5.003 4.527 0.006 0.000 0.321 1070 F C 1.268 177.118 175.800 0.084 0.000 1.089 1070 F CA -0.603 57.412 58.000 0.026 0.000 0.926 1070 F CB 1.963 40.953 39.000 -0.018 0.000 1.168 1070 F HN 0.539 nan 8.300 nan 0.000 0.459 1071 G N 1.865 110.800 108.800 0.226 0.000 3.124 1071 G HA2 0.253 4.216 3.960 0.006 0.000 0.212 1071 G HA3 0.253 4.216 3.960 0.006 0.000 0.212 1071 G C 0.296 175.303 174.900 0.179 0.000 1.181 1071 G CA 0.036 45.237 45.100 0.168 0.000 0.803 1071 G HN 0.493 nan 8.290 nan 0.000 0.529 1072 R N -0.851 119.759 120.500 0.183 0.000 2.764 1072 R HA 0.318 4.662 4.340 0.006 0.000 0.270 1072 R C -0.978 175.345 176.300 0.039 0.000 1.014 1072 R CA -0.873 55.289 56.100 0.104 0.000 0.904 1072 R CB 1.530 31.867 30.300 0.062 0.000 1.236 1072 R HN 0.145 nan 8.270 nan 0.000 0.466 1073 E N 2.794 122.989 120.200 -0.009 0.000 2.104 1073 E HA 0.091 4.445 4.350 0.006 0.000 0.278 1073 E C -0.684 175.843 176.600 -0.122 0.000 1.127 1073 E CA -0.196 56.156 56.400 -0.080 0.000 0.897 1073 E CB 0.468 30.133 29.700 -0.059 0.000 1.043 1073 E HN 0.341 nan 8.360 nan 0.000 0.410 1074 L N 4.648 125.747 121.223 -0.208 0.000 2.453 1074 L HA 0.047 4.390 4.340 0.006 0.000 0.272 1074 L C 0.667 177.387 176.870 -0.250 0.000 1.182 1074 L CA -0.440 54.232 54.840 -0.280 0.000 0.858 1074 L CB 0.131 41.925 42.059 -0.441 0.000 1.120 1074 L HN 0.636 nan 8.230 nan 0.000 0.474 1075 N N 2.153 120.731 118.700 -0.203 0.000 2.434 1075 N HA 0.262 5.006 4.740 0.006 0.000 0.266 1075 N C 0.687 176.071 175.510 -0.210 0.000 1.223 1075 N CA -0.095 52.867 53.050 -0.147 0.000 0.972 1075 N CB 0.800 39.233 38.487 -0.090 0.000 1.207 1075 N HN 0.584 nan 8.380 nan 0.000 0.525 1076 A N 0.068 122.831 122.820 -0.095 0.000 1.948 1076 A HA -0.202 4.122 4.320 0.006 0.000 0.220 1076 A C 1.923 179.432 177.584 -0.125 0.000 1.177 1076 A CA 2.168 54.165 52.037 -0.066 0.000 0.636 1076 A CB -1.517 17.537 19.000 0.091 0.000 0.815 1076 A HN 0.810 nan 8.150 nan 0.000 0.449 1077 T N -0.921 113.572 114.554 -0.101 0.000 2.812 1077 T HA -0.090 4.264 4.350 0.006 0.000 0.264 1077 T C 1.829 176.456 174.700 -0.122 0.000 1.042 1077 T CA 1.454 63.502 62.100 -0.088 0.000 1.140 1077 T CB -0.156 68.675 68.868 -0.063 0.000 0.870 1077 T HN 0.670 nan 8.240 nan 0.000 0.445 1078 E N 0.239 120.340 120.200 -0.166 0.000 2.110 1078 E HA -0.098 4.256 4.350 0.006 0.000 0.193 1078 E C 2.160 178.611 176.600 -0.249 0.000 0.988 1078 E CA 0.698 56.978 56.400 -0.200 0.000 0.804 1078 E CB -0.017 29.538 29.700 -0.242 0.000 0.745 1078 E HN 0.218 nan 8.360 nan 0.000 0.458 1079 V N 0.853 120.562 119.914 -0.342 0.000 2.323 1079 V HA -0.233 3.891 4.120 0.006 0.000 0.244 1079 V C 2.326 178.295 176.094 -0.208 0.000 1.041 1079 V CA 2.081 64.137 62.300 -0.407 0.000 1.025 1079 V CB -0.472 30.857 31.823 -0.824 0.000 0.656 1079 V HN 0.341 nan 8.190 nan 0.000 0.451 1080 E N 0.017 120.126 120.200 -0.152 0.000 2.077 1080 E HA -0.255 4.099 4.350 0.006 0.000 0.193 1080 E C 2.142 178.774 176.600 0.053 0.000 0.989 1080 E CA 1.411 57.794 56.400 -0.029 0.000 0.800 1080 E CB 0.010 29.694 29.700 -0.028 0.000 0.746 1080 E HN 0.563 nan 8.360 nan 0.000 0.452 1081 E N 0.500 120.695 120.200 -0.008 0.000 2.072 1081 E HA -0.172 4.182 4.350 0.006 0.000 0.191 1081 E C 2.123 178.739 176.600 0.027 0.000 0.985 1081 E CA 0.764 57.168 56.400 0.008 0.000 0.801 1081 E CB -0.343 29.342 29.700 -0.025 0.000 0.750 1081 E HN 0.244 nan 8.360 nan 0.000 0.452 1082 R N -0.270 120.232 120.500 0.003 0.000 2.152 1082 R HA -0.170 4.174 4.340 0.006 0.000 0.232 1082 R C 2.270 178.654 176.300 0.139 0.000 1.117 1082 R CA 0.938 57.062 56.100 0.041 0.000 0.981 1082 R CB -0.230 30.058 30.300 -0.019 0.000 0.870 1082 R HN 0.168 nan 8.270 nan 0.000 0.451 1083 Y N 1.121 121.433 120.300 0.020 0.000 2.133 1083 Y HA -0.154 4.400 4.550 0.005 0.000 0.287 1083 Y C 1.642 177.627 175.900 0.142 0.000 1.134 1083 Y CA 1.623 59.777 58.100 0.090 0.000 1.133 1083 Y CB 0.009 38.459 38.460 -0.016 0.000 0.987 1083 Y HN -0.102 nan 8.280 nan 0.000 0.502 1084 K N -0.328 120.085 120.400 0.020 0.000 2.063 1084 K HA -0.177 4.147 4.320 0.006 0.000 0.208 1084 K C 1.928 178.485 176.600 -0.072 0.000 1.048 1084 K CA 1.814 58.056 56.287 -0.075 0.000 0.928 1084 K CB -0.363 32.150 32.500 0.022 0.000 0.713 1084 K HN 0.279 nan 8.250 nan 0.000 0.442 1085 I N 1.862 122.423 120.570 -0.015 0.000 2.179 1085 I HA -0.256 3.918 4.170 0.006 0.000 0.242 1085 I C 2.140 178.240 176.117 -0.029 0.000 1.088 1085 I CA 1.572 62.864 61.300 -0.012 0.000 1.357 1085 I CB -0.288 37.722 38.000 0.017 0.000 1.051 1085 I HN 0.139 nan 8.210 nan 0.000 0.409 1086 Q N -0.300 119.510 119.800 0.017 0.000 2.488 1086 Q HA 0.018 4.362 4.340 0.006 0.000 0.211 1086 Q C 0.853 176.751 176.000 -0.171 0.000 0.967 1086 Q CA 0.189 55.985 55.803 -0.011 0.000 0.926 1086 Q CB 0.031 28.902 28.738 0.222 0.000 0.992 1086 Q HN 0.421 nan 8.270 nan 0.000 0.506 1091 T N 2.321 116.823 114.554 -0.088 0.000 2.806 1091 T HA 0.423 4.777 4.350 0.006 0.000 0.290 1091 T C 0.150 174.794 174.700 -0.093 0.000 0.966 1091 T CA -0.090 61.952 62.100 -0.097 0.000 1.060 1091 T CB 1.367 70.168 68.868 -0.111 0.000 0.927 1091 T HN 0.089 nan 8.240 nan 0.000 0.485 1092 L N 3.969 125.126 121.223 -0.111 0.000 2.331 1092 L HA 0.443 4.786 4.340 0.006 0.000 0.278 1092 L C 0.529 177.331 176.870 -0.113 0.000 1.106 1092 L CA -0.217 54.556 54.840 -0.111 0.000 0.824 1092 L CB 0.662 42.628 42.059 -0.156 0.000 1.142 1092 L HN 0.472 nan 8.230 nan 0.000 0.443 1093 K N 1.081 121.431 120.400 -0.083 0.000 2.350 1093 K HA 0.362 4.685 4.320 0.006 0.000 0.241 1093 K C -0.987 175.543 176.600 -0.116 0.000 0.994 1093 K CA -0.897 55.309 56.287 -0.135 0.000 0.839 1093 K CB 1.649 34.017 32.500 -0.219 0.000 1.244 1093 K HN 0.576 nan 8.250 nan 0.000 0.443 1094 D N -0.381 119.934 120.400 -0.140 0.000 2.466 1094 D HA 0.005 4.649 4.640 0.006 0.000 0.262 1094 D C 0.734 176.964 176.300 -0.116 0.000 1.177 1094 D CA -0.483 53.462 54.000 -0.092 0.000 1.035 1094 D CB 0.172 40.979 40.800 0.012 0.000 1.105 1094 D HN 0.418 nan 8.370 nan 0.000 0.551 1095 F N -0.564 119.184 119.950 -0.336 0.000 2.192 1095 F HA -0.055 4.476 4.527 0.007 0.000 0.301 1095 F C 1.335 176.870 175.800 -0.443 0.000 1.079 1095 F CA 1.158 58.858 58.000 -0.499 0.000 1.303 1095 F CB -0.086 38.380 39.000 -0.891 0.000 1.024 1095 F HN 0.384 nan 8.300 nan 0.000 0.494 1096 W N -0.391 120.940 121.300 0.052 0.000 2.905 1096 W HA 0.299 4.961 4.660 0.004 0.000 0.251 1096 W C 1.819 178.274 176.519 -0.106 0.000 1.305 1096 W CA 0.533 57.868 57.345 -0.018 0.000 1.465 1096 W CB -0.230 29.257 29.460 0.046 0.000 1.122 1096 W HN 0.162 nan 8.180 nan 0.000 0.659 1097 G N 0.160 108.739 108.800 -0.368 0.000 2.159 1097 G HA2 -0.258 3.706 3.960 0.006 0.000 0.227 1097 G HA3 -0.258 3.706 3.960 0.006 0.000 0.227 1097 G C 0.000 174.749 174.900 -0.251 0.000 0.986 1097 G CA -0.497 44.058 45.100 -0.908 0.000 0.651 1097 G HN 0.132 nan 8.290 nan 0.000 0.523 1098 N N 1.047 119.734 118.700 -0.022 0.000 2.476 1098 N HA 0.525 5.269 4.740 0.006 0.000 0.275 1098 N C -2.625 172.832 175.510 -0.087 0.000 1.190 1098 N CA -1.587 51.453 53.050 -0.017 0.000 0.977 1098 N CB 0.871 39.416 38.487 0.096 0.000 1.200 1098 N HN -0.014 nan 8.380 nan 0.000 0.515 1099 P HA -0.029 nan 4.420 nan 0.000 0.264 1099 P C -0.071 177.195 177.300 -0.056 0.000 1.183 1099 P CA -0.187 62.858 63.100 -0.091 0.000 0.763 1099 P CB 0.442 32.095 31.700 -0.079 0.000 0.807 1100 L N 5.010 126.169 121.223 -0.107 0.000 2.416 1100 L HA 0.221 4.565 4.340 0.006 0.000 0.272 1100 L C 0.467 177.264 176.870 -0.122 0.000 1.161 1100 L CA 0.661 55.418 54.840 -0.138 0.000 0.845 1100 L CB -0.089 41.804 42.059 -0.277 0.000 1.119 1100 L HN 0.339 nan 8.230 nan 0.000 0.464 1101 R N 3.106 123.603 120.500 -0.005 0.000 2.807 1101 R HA 0.398 4.742 4.340 0.006 0.000 0.276 1101 R C -1.277 174.953 176.300 -0.117 0.000 0.979 1101 R CA -0.905 55.159 56.100 -0.059 0.000 0.928 1101 R CB 1.374 31.689 30.300 0.025 0.000 1.191 1101 R HN 0.407 nan 8.270 nan 0.000 0.471 1102 Y N 1.007 121.296 120.300 -0.018 0.000 2.330 1102 Y HA -0.028 4.526 4.550 0.007 0.000 0.341 1102 Y C 0.688 176.557 175.900 -0.053 0.000 1.278 1102 Y CA 0.525 58.605 58.100 -0.034 0.000 1.453 1102 Y CB 0.532 38.969 38.460 -0.038 0.000 1.342 1102 Y HN 0.684 nan 8.280 nan 0.000 0.590 1103 D N -0.324 120.154 120.400 0.131 0.000 2.837 1103 D HA -0.173 4.471 4.640 0.006 0.000 0.230 1103 D C -0.778 175.479 176.300 -0.071 0.000 1.152 1103 D CA 1.187 55.205 54.000 0.030 0.000 0.736 1103 D CB -1.651 39.172 40.800 0.039 0.000 1.084 1103 D HN 0.458 nan 8.370 nan 0.000 0.429 1104 T N 0.454 114.899 114.554 -0.180 0.000 2.848 1104 T HA 0.376 4.730 4.350 0.006 0.000 0.285 1104 T C 0.159 174.511 174.700 -0.580 0.000 0.995 1104 T CA -0.730 61.136 62.100 -0.389 0.000 0.970 1104 T CB 2.062 70.609 68.868 -0.534 0.000 0.976 1104 T HN -0.079 nan 8.240 nan 0.000 0.441 1105 Q N 1.994 121.529 119.800 -0.442 0.000 2.297 1105 Q HA 0.332 4.676 4.340 0.006 0.000 0.267 1105 Q C -1.279 174.451 176.000 -0.450 0.000 1.006 1105 Q CA 0.099 55.680 55.803 -0.370 0.000 0.896 1105 Q CB 0.480 29.054 28.738 -0.273 0.000 1.186 1105 Q HN 0.539 nan 8.270 nan 0.000 0.392 1106 Y N 1.312 121.571 120.300 -0.068 0.000 2.421 1106 Y HA 0.304 4.856 4.550 0.005 0.000 0.339 1106 Y C -0.839 175.049 175.900 -0.020 0.000 0.996 1106 Y CA -1.155 56.975 58.100 0.050 0.000 1.046 1106 Y CB 0.974 39.609 38.460 0.291 0.000 1.226 1106 Y HN 0.500 nan 8.280 nan 0.000 0.445 1107 Y N 2.195 122.731 120.300 0.392 0.000 2.326 1107 Y HA 0.497 5.055 4.550 0.013 0.000 0.324 1107 Y C -0.309 175.724 175.900 0.223 0.000 1.291 1107 Y CA -0.693 57.585 58.100 0.297 0.000 1.348 1107 Y CB 0.713 39.294 38.460 0.202 0.000 1.294 1107 Y HN 0.433 nan 8.280 nan 0.000 0.525 1108 L N 2.195 123.619 121.223 0.335 0.000 2.341 1108 L HA 0.502 4.846 4.340 0.006 0.000 0.278 1108 L C -1.585 175.406 176.870 0.203 0.000 1.005 1108 L CA -0.866 54.031 54.840 0.096 0.000 0.818 1108 L CB 0.975 43.003 42.059 -0.053 0.000 1.259 1108 L HN 0.520 nan 8.230 nan 0.000 0.418 1109 F N 5.172 125.126 119.950 0.005 0.000 2.507 1109 F HA 0.494 5.021 4.527 0.000 0.000 0.325 1109 F C -0.455 175.403 175.800 0.096 0.000 1.116 1109 F CA -0.505 57.514 58.000 0.030 0.000 0.930 1109 F CB 1.243 40.198 39.000 -0.074 0.000 1.146 1109 F HN 0.533 nan 8.300 nan 0.000 0.447 1110 N N 5.574 123.815 118.700 -0.765 0.000 2.424 1110 N HA 0.086 4.830 4.740 0.006 0.000 0.271 1110 N C 0.481 175.349 175.510 -1.069 0.000 0.985 1110 N CA -0.086 52.417 53.050 -0.912 0.000 0.921 1110 N CB 1.783 39.778 38.487 -0.821 0.000 1.149 1110 N HN 1.023 nan 8.380 nan 0.000 0.492 1111 Q N 2.825 122.240 119.800 -0.641 0.000 2.170 1111 Q HA -0.075 4.269 4.340 0.006 0.000 0.203 1111 Q C 1.342 177.193 176.000 -0.248 0.000 0.976 1111 Q CA 1.834 57.464 55.803 -0.289 0.000 0.858 1111 Q CB -0.028 28.679 28.738 -0.050 0.000 0.907 1111 Q HN 0.823 nan 8.270 nan 0.000 0.433 1112 G N 0.038 108.661 108.800 -0.295 0.000 2.494 1112 G HA2 0.021 3.985 3.960 0.006 0.000 0.216 1112 G HA3 0.021 3.985 3.960 0.006 0.000 0.216 1112 G C 0.653 175.460 174.900 -0.156 0.000 1.140 1112 G CA 0.003 45.001 45.100 -0.170 0.000 0.801 1112 G HN 0.246 nan 8.290 nan 0.000 0.536 1113 M N 1.025 120.477 119.600 -0.247 0.000 1.986 1113 M HA 0.262 4.746 4.480 0.006 0.000 0.247 1113 M C 0.404 176.557 176.300 -0.245 0.000 0.851 1113 M CA -0.155 55.039 55.300 -0.176 0.000 0.785 1113 M CB 1.971 34.493 32.600 -0.131 0.000 1.554 1113 M HN 0.033 nan 8.290 nan 0.000 0.361 1114 Q N 0.039 119.726 119.800 -0.188 0.000 2.378 1114 Q HA 0.011 4.355 4.340 0.006 0.000 0.205 1114 Q C 0.471 176.483 176.000 0.021 0.000 0.954 1114 Q CA 0.979 56.675 55.803 -0.179 0.000 0.901 1114 Q CB 0.024 28.814 28.738 0.087 0.000 0.981 1114 Q HN 0.722 nan 8.270 nan 0.000 0.483 1115 N N 0.414 119.127 118.700 0.021 0.000 2.235 1115 N HA 0.135 4.879 4.740 0.006 0.000 0.209 1115 N C -0.374 175.178 175.510 0.070 0.000 1.122 1115 N CA -0.120 52.976 53.050 0.076 0.000 0.845 1115 N CB 0.484 39.011 38.487 0.067 0.000 1.004 1115 N HN 0.160 nan 8.380 nan 0.000 0.499 1116 I N -2.750 117.841 120.570 0.035 0.000 3.067 1116 I HA 0.590 4.764 4.170 0.006 0.000 0.312 1116 I C -0.611 175.573 176.117 0.111 0.000 1.073 1116 I CA -1.914 59.401 61.300 0.025 0.000 1.016 1116 I CB 0.674 38.634 38.000 -0.066 0.000 1.227 1116 I HN -0.060 nan 8.210 nan 0.000 0.456 1117 Y N 1.066 121.379 120.300 0.021 0.000 2.633 1117 Y HA 0.848 5.389 4.550 -0.015 0.000 0.339 1117 Y C -0.959 174.970 175.900 0.048 0.000 1.045 1117 Y CA -1.659 56.469 58.100 0.047 0.000 1.098 1117 Y CB 0.887 39.386 38.460 0.065 0.000 1.296 1117 Y HN 0.412 nan 8.280 nan 0.000 0.494 1118 I N 2.593 123.265 120.570 0.171 0.000 2.315 1118 I HA 0.372 4.546 4.170 0.006 0.000 0.291 1118 I C -0.328 175.884 176.117 0.158 0.000 1.006 1118 I CA -0.665 60.666 61.300 0.052 0.000 1.265 1118 I CB 0.900 38.862 38.000 -0.064 0.000 1.387 1118 I HN 0.701 nan 8.210 nan 0.000 0.475 1119 K N 5.857 126.290 120.400 0.055 0.000 2.270 1119 K HA 0.278 4.602 4.320 0.006 0.000 0.255 1119 K C -1.071 175.646 176.600 0.195 0.000 0.936 1119 K CA -0.715 55.663 56.287 0.151 0.000 0.809 1119 K CB 1.798 34.311 32.500 0.021 0.000 1.131 1119 K HN 0.376 nan 8.250 nan 0.000 0.427 1120 Y N 4.373 124.729 120.300 0.094 0.000 2.632 1120 Y HA 0.044 4.597 4.550 0.005 0.000 0.329 1120 Y C -1.177 174.841 175.900 0.197 0.000 1.174 1120 Y CA 0.051 58.211 58.100 0.100 0.000 1.469 1120 Y CB 0.199 38.652 38.460 -0.012 0.000 1.242 1120 Y HN 0.493 nan 8.280 nan 0.000 0.540 1121 F N 6.284 125.964 119.950 -0.450 0.000 2.293 1121 F HA 0.232 4.767 4.527 0.012 0.000 0.370 1121 F C 1.060 176.453 175.800 -0.679 0.000 1.090 1121 F CA -0.521 57.260 58.000 -0.366 0.000 1.133 1121 F CB 0.815 39.754 39.000 -0.102 0.000 1.360 1121 F HN 0.611 nan 8.300 nan 0.000 0.489 1122 S N 3.453 118.735 115.700 -0.697 0.000 2.374 1122 S HA -0.233 4.241 4.470 0.006 0.000 0.227 1122 S C 1.790 176.047 174.600 -0.571 0.000 1.037 1122 S CA 1.533 59.362 58.200 -0.618 0.000 1.024 1122 S CB -0.114 62.984 63.200 -0.170 0.000 0.861 1122 S HN 0.592 nan 8.310 nan 0.000 0.456 1123 K N 0.878 120.777 120.400 -0.835 0.000 2.442 1123 K HA 0.160 4.483 4.320 0.006 0.000 0.198 1123 K C 1.360 177.583 176.600 -0.628 0.000 1.042 1123 K CA 0.865 56.741 56.287 -0.686 0.000 0.958 1123 K CB -0.062 32.035 32.500 -0.672 0.000 0.766 1123 K HN 0.354 nan 8.250 nan 0.000 0.474 1124 A N -1.321 121.034 122.820 -0.775 0.000 2.498 1124 A HA 0.233 4.557 4.320 0.006 0.000 0.238 1124 A C 0.185 177.705 177.584 -0.108 0.000 1.225 1124 A CA 0.055 51.878 52.037 -0.356 0.000 0.978 1124 A CB 0.421 19.295 19.000 -0.209 0.000 1.142 1124 A HN 0.011 nan 8.150 nan 0.000 0.552 1125 S N -0.852 114.767 115.700 -0.134 0.000 3.749 1125 S HA -0.161 4.313 4.470 0.006 0.000 0.348 1125 S C -0.017 174.696 174.600 0.188 0.000 1.045 1125 S CA 1.572 59.846 58.200 0.123 0.000 1.051 1125 S CB -1.794 61.586 63.200 0.300 0.000 0.898 1125 S HN 0.675 nan 8.310 nan 0.000 0.472 1126 M N -0.285 119.388 119.600 0.121 0.000 2.704 1126 M HA 0.622 5.106 4.480 0.006 0.000 0.284 1126 M C 0.452 176.964 176.300 0.353 0.000 1.275 1126 M CA -0.558 54.903 55.300 0.268 0.000 0.811 1126 M CB 1.942 34.703 32.600 0.270 0.000 1.741 1126 M HN 0.219 nan 8.290 nan 0.000 0.458 1127 G N 1.112 110.178 108.800 0.444 0.000 2.335 1127 G HA2 0.602 4.566 3.960 0.006 0.000 0.316 1127 G HA3 0.602 4.566 3.960 0.006 0.000 0.316 1127 G C -1.093 174.005 174.900 0.331 0.000 1.129 1127 G CA -0.414 44.924 45.100 0.396 0.000 0.899 1127 G HN 0.739 nan 8.290 nan 0.000 0.448 1128 E N 0.610 120.878 120.200 0.113 0.000 2.235 1128 E HA 0.613 4.967 4.350 0.006 0.000 0.265 1128 E C -0.032 176.463 176.600 -0.176 0.000 0.940 1128 E CA -0.873 55.422 56.400 -0.175 0.000 0.819 1128 E CB 1.301 30.761 29.700 -0.400 0.000 1.206 1128 E HN 0.412 nan 8.360 nan 0.000 0.409 1129 T N -1.222 113.193 114.554 -0.232 0.000 2.899 1129 T HA 0.606 4.960 4.350 0.006 0.000 0.295 1129 T C -0.025 174.465 174.700 -0.350 0.000 1.033 1129 T CA -0.475 61.483 62.100 -0.237 0.000 1.084 1129 T CB 1.243 70.019 68.868 -0.153 0.000 0.979 1129 T HN 0.698 nan 8.240 nan 0.000 0.532 1130 A N 2.591 125.101 122.820 -0.517 0.000 2.515 1130 A HA 0.774 5.097 4.320 0.006 0.000 0.298 1130 A C -3.094 174.266 177.584 -0.373 0.000 1.059 1130 A CA -2.151 49.586 52.037 -0.500 0.000 0.698 1130 A CB 1.246 19.843 19.000 -0.671 0.000 1.289 1130 A HN 0.650 nan 8.150 nan 0.000 0.404 1131 P HA 0.250 nan 4.420 nan 0.000 0.271 1131 P C -0.481 176.931 177.300 0.187 0.000 1.216 1131 P CA -0.049 63.058 63.100 0.012 0.000 0.771 1131 P CB 0.399 32.106 31.700 0.012 0.000 0.864 1132 R N 1.217 121.863 120.500 0.243 0.000 2.623 1132 R HA 0.190 4.533 4.340 0.006 0.000 0.271 1132 R C 0.940 177.340 176.300 0.167 0.000 1.043 1132 R CA 0.241 56.510 56.100 0.282 0.000 1.083 1132 R CB -0.075 30.351 30.300 0.210 0.000 0.974 1132 R HN 0.523 nan 8.270 nan 0.000 0.436 1133 T N -0.022 114.609 114.554 0.129 0.000 2.788 1133 T HA 0.320 4.674 4.350 0.006 0.000 0.280 1133 T C 0.063 174.795 174.700 0.053 0.000 0.984 1133 T CA -0.913 61.232 62.100 0.075 0.000 0.972 1133 T CB 0.854 69.757 68.868 0.058 0.000 1.039 1133 T HN 0.782 nan 8.240 nan 0.000 0.530 1134 N N -1.151 117.552 118.700 0.005 0.000 2.647 1134 N HA 0.608 5.352 4.740 0.006 0.000 0.266 1134 N C -1.925 173.503 175.510 -0.136 0.000 1.373 1134 N CA -1.212 51.798 53.050 -0.067 0.000 0.807 1134 N CB 1.444 39.900 38.487 -0.051 0.000 1.513 1134 N HN 0.738 nan 8.380 nan 0.000 0.505 1135 F N 0.464 120.087 119.950 -0.546 0.000 2.547 1135 F HA 0.618 5.151 4.527 0.010 0.000 0.316 1135 F C -1.609 173.965 175.800 -0.377 0.000 1.121 1135 F CA -0.417 57.288 58.000 -0.492 0.000 0.911 1135 F CB 1.476 40.094 39.000 -0.636 0.000 1.179 1135 F HN 0.902 nan 8.300 nan 0.000 0.443 1136 N N 2.780 121.063 118.700 -0.695 0.000 2.396 1136 N HA 0.588 5.331 4.740 0.006 0.000 0.275 1136 N C -1.805 173.422 175.510 -0.471 0.000 1.218 1136 N CA -0.841 52.005 53.050 -0.340 0.000 0.812 1136 N CB 1.773 40.163 38.487 -0.162 0.000 1.592 1136 N HN 0.576 nan 8.380 nan 0.000 0.480 1137 N N -0.205 118.410 118.700 -0.142 0.000 3.513 1137 N HA 0.534 5.278 4.740 0.006 0.000 0.351 1137 N C 0.419 175.900 175.510 -0.048 0.000 1.624 1137 N CA -0.278 52.715 53.050 -0.095 0.000 0.712 1137 N CB -0.191 38.325 38.487 0.049 0.000 2.106 1137 N HN 0.553 nan 8.380 nan 0.000 0.649 1138 A N -0.731 122.073 122.820 -0.026 0.000 1.933 1138 A HA 0.216 4.540 4.320 0.006 0.000 0.218 1138 A C 1.896 179.464 177.584 -0.026 0.000 1.175 1138 A CA 2.413 54.435 52.037 -0.026 0.000 0.628 1138 A CB -1.308 17.681 19.000 -0.018 0.000 0.814 1138 A HN 0.836 nan 8.150 nan 0.000 0.444 1139 A N -1.400 121.402 122.820 -0.031 0.000 2.140 1139 A HA 0.516 4.840 4.320 0.006 0.000 0.209 1139 A C 0.691 178.226 177.584 -0.082 0.000 1.181 1139 A CA 0.834 52.838 52.037 -0.055 0.000 0.824 1139 A CB -0.144 18.814 19.000 -0.070 0.000 0.879 1139 A HN 0.933 nan 8.150 nan 0.000 0.480 1140 I N -3.942 116.589 120.570 -0.064 0.000 3.074 1140 I HA 0.767 4.940 4.170 0.006 0.000 0.310 1140 I C -1.124 175.052 176.117 0.099 0.000 1.153 1140 I CA -1.339 59.928 61.300 -0.055 0.000 0.993 1140 I CB 2.086 39.876 38.000 -0.351 0.000 1.237 1140 I HN 0.011 nan 8.210 nan 0.000 0.443 1141 N N 1.210 120.035 118.700 0.208 0.000 2.431 1141 N HA 0.689 5.433 4.740 0.006 0.000 0.275 1141 N C -1.920 173.823 175.510 0.389 0.000 1.091 1141 N CA -0.553 52.624 53.050 0.211 0.000 0.922 1141 N CB 1.669 40.219 38.487 0.104 0.000 1.666 1141 N HN 0.840 nan 8.380 nan 0.000 0.484 1142 Y N -0.483 119.985 120.300 0.279 0.000 2.581 1142 Y HA 0.497 5.063 4.550 0.027 0.000 0.337 1142 Y C -1.306 174.759 175.900 0.276 0.000 1.108 1142 Y CA -1.031 57.256 58.100 0.312 0.000 1.033 1142 Y CB 1.039 39.723 38.460 0.373 0.000 1.318 1142 Y HN 0.414 nan 8.280 nan 0.000 0.459 1143 Q N 2.052 122.094 119.800 0.402 0.000 2.235 1143 Q HA 0.340 4.684 4.340 0.006 0.000 0.250 1143 Q C -0.934 175.320 176.000 0.424 0.000 0.909 1143 Q CA -0.820 55.151 55.803 0.280 0.000 0.910 1143 Q CB 1.166 30.035 28.738 0.219 0.000 1.223 1143 Q HN 0.756 nan 8.270 nan 0.000 0.432 1144 N N 1.211 120.076 118.700 0.274 0.000 2.479 1144 N HA 0.010 4.753 4.740 0.006 0.000 0.257 1144 N C 0.296 175.821 175.510 0.024 0.000 1.232 1144 N CA 0.162 53.349 53.050 0.228 0.000 0.920 1144 N CB 0.683 39.232 38.487 0.103 0.000 1.105 1144 N HN 0.449 nan 8.380 nan 0.000 0.444 1145 L N 0.963 122.084 121.223 -0.170 0.000 2.577 1145 L HA 0.158 4.501 4.340 0.006 0.000 0.225 1145 L C -0.123 176.517 176.870 -0.384 0.000 1.053 1145 L CA 0.205 54.801 54.840 -0.406 0.000 0.866 1145 L CB 0.102 41.661 42.059 -0.834 0.000 1.132 1145 L HN 0.574 nan 8.230 nan 0.000 0.486 1146 Y N 2.692 122.770 120.300 -0.369 0.000 2.667 1146 Y HA 0.479 5.035 4.550 0.010 0.000 0.340 1146 Y C -0.121 175.172 175.900 -1.012 0.000 1.303 1146 Y CA -0.555 56.966 58.100 -0.966 0.000 1.769 1146 Y CB -0.705 37.402 38.460 -0.588 0.000 1.804 1146 Y HN -0.020 nan 8.280 nan 0.000 0.451 1147 L N 0.152 120.953 121.223 -0.703 0.000 2.409 1147 L HA 0.854 5.198 4.340 0.006 0.000 0.262 1147 L C 0.628 177.333 176.870 -0.275 0.000 0.992 1147 L CA -0.880 53.587 54.840 -0.622 0.000 0.817 1147 L CB 2.308 43.718 42.059 -1.081 0.000 1.350 1147 L HN 0.575 nan 8.230 nan 0.000 0.411 1148 G N 1.331 110.076 108.800 -0.093 0.000 2.584 1148 G HA2 -0.213 3.751 3.960 0.006 0.000 0.229 1148 G HA3 -0.213 3.751 3.960 0.006 0.000 0.229 1148 G C -0.550 174.517 174.900 0.279 0.000 1.320 1148 G CA -0.764 44.535 45.100 0.332 0.000 0.891 1148 G HN 0.534 nan 8.290 nan 0.000 0.573 1149 L N 0.554 121.885 121.223 0.179 0.000 2.540 1149 L HA 0.292 4.636 4.340 0.006 0.000 0.276 1149 L C 1.364 178.135 176.870 -0.164 0.000 1.212 1149 L CA 0.219 54.983 54.840 -0.127 0.000 0.893 1149 L CB 0.327 42.140 42.059 -0.411 0.000 1.138 1149 L HN 0.614 nan 8.230 nan 0.000 0.491 1150 R N 3.158 123.465 120.500 -0.322 0.000 2.265 1150 R HA 0.462 4.806 4.340 0.006 0.000 0.328 1150 R C -1.182 174.904 176.300 -0.357 0.000 0.969 1150 R CA -0.473 55.399 56.100 -0.379 0.000 0.832 1150 R CB 0.667 30.729 30.300 -0.397 0.000 1.139 1150 R HN 0.308 nan 8.270 nan 0.000 0.457 1151 F N 4.441 124.361 119.950 -0.050 0.000 2.432 1151 F HA 0.509 5.038 4.527 0.003 0.000 0.329 1151 F C 0.350 176.166 175.800 0.027 0.000 1.076 1151 F CA -0.736 57.298 58.000 0.057 0.000 1.018 1151 F CB 1.488 40.614 39.000 0.211 0.000 1.201 1151 F HN 0.250 nan 8.300 nan 0.000 0.489 1152 I N 3.404 124.107 120.570 0.222 0.000 2.447 1152 I HA 0.331 4.505 4.170 0.006 0.000 0.287 1152 I C -0.752 175.458 176.117 0.155 0.000 1.023 1152 I CA -0.569 60.800 61.300 0.115 0.000 1.083 1152 I CB 1.802 39.823 38.000 0.035 0.000 1.245 1152 I HN 0.368 nan 8.210 nan 0.000 0.434 1153 I N 6.796 127.428 120.570 0.104 0.000 2.471 1153 I HA 0.178 4.352 4.170 0.006 0.000 0.286 1153 I C 0.015 176.279 176.117 0.246 0.000 1.079 1153 I CA -0.242 61.105 61.300 0.077 0.000 1.398 1153 I CB 0.197 38.093 38.000 -0.173 0.000 1.403 1153 I HN 0.349 nan 8.210 nan 0.000 0.530 1154 K N 6.268 126.830 120.400 0.269 0.000 2.259 1154 K HA 0.459 4.783 4.320 0.006 0.000 0.249 1154 K C -0.586 176.102 176.600 0.147 0.000 0.942 1154 K CA -1.024 55.412 56.287 0.248 0.000 0.816 1154 K CB 1.743 34.400 32.500 0.262 0.000 1.155 1154 K HN 0.389 nan 8.250 nan 0.000 0.428 1155 K N 1.157 121.456 120.400 -0.169 0.000 2.416 1155 K HA 0.115 4.439 4.320 0.006 0.000 0.283 1155 K C 0.828 177.271 176.600 -0.263 0.000 1.037 1155 K CA -0.037 56.051 56.287 -0.332 0.000 0.995 1155 K CB 0.798 32.978 32.500 -0.533 0.000 0.938 1155 K HN 0.694 nan 8.250 nan 0.000 0.475 1156 A N 2.759 125.333 122.820 -0.410 0.000 1.911 1156 A HA -0.035 4.289 4.320 0.006 0.000 0.212 1156 A C 1.324 178.761 177.584 -0.246 0.000 1.189 1156 A CA 0.652 52.269 52.037 -0.700 0.000 0.639 1156 A CB 0.042 18.505 19.000 -0.895 0.000 0.839 1156 A HN 0.651 nan 8.150 nan 0.000 0.449 1166 N N -0.524 118.231 118.700 0.092 0.000 2.275 1166 N HA 0.274 5.018 4.740 0.006 0.000 0.236 1166 N C -0.307 175.331 175.510 0.214 0.000 1.154 1166 N CA -0.548 52.615 53.050 0.188 0.000 0.866 1166 N CB 0.479 39.041 38.487 0.124 0.000 1.093 1166 N HN 0.269 nan 8.380 nan 0.000 0.515 1167 I N 1.701 122.350 120.570 0.132 0.000 2.365 1167 I HA 0.163 4.337 4.170 0.006 0.000 0.291 1167 I C 0.070 176.178 176.117 -0.014 0.000 1.004 1167 I CA -1.054 60.258 61.300 0.018 0.000 1.311 1167 I CB 1.729 39.725 38.000 -0.008 0.000 1.401 1167 I HN -0.060 nan 8.210 nan 0.000 0.491 1168 V N 7.475 127.225 119.914 -0.274 0.000 2.488 1168 V HA 0.288 4.412 4.120 0.006 0.000 0.277 1168 V C 0.390 176.365 176.094 -0.199 0.000 1.046 1168 V CA -0.419 61.639 62.300 -0.405 0.000 0.986 1168 V CB 0.616 32.028 31.823 -0.685 0.000 0.989 1168 V HN 0.691 nan 8.190 nan 0.000 0.475 1169 R N 2.378 122.811 120.500 -0.111 0.000 2.664 1169 R HA 0.361 4.704 4.340 0.006 0.000 0.286 1169 R C 0.044 176.264 176.300 -0.133 0.000 0.967 1169 R CA -0.882 55.158 56.100 -0.101 0.000 0.933 1169 R CB 1.372 31.641 30.300 -0.052 0.000 1.146 1169 R HN 0.676 nan 8.270 nan 0.000 0.468 1170 E N 0.862 120.976 120.200 -0.142 0.000 2.608 1170 E HA -0.105 4.249 4.350 0.006 0.000 0.259 1170 E C 0.664 177.155 176.600 -0.182 0.000 0.951 1170 E CA 1.717 58.011 56.400 -0.177 0.000 0.945 1170 E CB 0.632 30.231 29.700 -0.168 0.000 0.916 1170 E HN 0.861 nan 8.360 nan 0.000 0.477 1171 G N 4.389 113.045 108.800 -0.239 0.000 2.199 1171 G HA2 -0.248 3.715 3.960 0.006 0.000 0.254 1171 G HA3 -0.248 3.715 3.960 0.006 0.000 0.254 1171 G C 0.131 174.815 174.900 -0.360 0.000 0.982 1171 G CA 0.262 45.193 45.100 -0.282 0.000 0.632 1171 G HN 0.595 nan 8.290 nan 0.000 0.529 1172 D N -0.026 120.230 120.400 -0.240 0.000 2.449 1172 D HA 0.348 4.992 4.640 0.006 0.000 0.236 1172 D C 0.371 176.496 176.300 -0.291 0.000 1.149 1172 D CA 0.394 54.298 54.000 -0.160 0.000 0.878 1172 D CB 0.152 40.950 40.800 -0.003 0.000 1.198 1172 D HN 0.276 nan 8.370 nan 0.000 0.446 1173 Y N 1.149 121.415 120.300 -0.058 0.000 2.327 1173 Y HA 0.358 4.912 4.550 0.006 0.000 0.336 1173 Y C 0.722 176.516 175.900 -0.177 0.000 1.035 1173 Y CA -0.582 57.450 58.100 -0.113 0.000 1.165 1173 Y CB 0.447 38.840 38.460 -0.112 0.000 1.181 1173 Y HN 0.173 nan 8.280 nan 0.000 0.494 1174 I N -0.660 119.848 120.570 -0.103 0.000 3.074 1174 I HA 0.673 4.847 4.170 0.006 0.000 0.310 1174 I C -1.875 174.080 176.117 -0.269 0.000 1.153 1174 I CA -1.373 59.834 61.300 -0.156 0.000 0.993 1174 I CB 2.306 40.286 38.000 -0.034 0.000 1.237 1174 I HN 0.218 nan 8.210 nan 0.000 0.443 1175 Y N 2.817 123.131 120.300 0.024 0.000 2.487 1175 Y HA 0.695 5.248 4.550 0.006 0.000 0.337 1175 Y C -0.485 175.431 175.900 0.027 0.000 1.076 1175 Y CA -1.216 56.873 58.100 -0.019 0.000 1.115 1175 Y CB 1.637 40.072 38.460 -0.042 0.000 1.235 1175 Y HN 0.357 nan 8.280 nan 0.000 0.468 1176 L N 3.564 124.924 121.223 0.229 0.000 2.283 1176 L HA 0.385 4.728 4.340 0.006 0.000 0.281 1176 L C -0.592 176.435 176.870 0.262 0.000 1.033 1176 L CA -0.579 54.429 54.840 0.279 0.000 0.848 1176 L CB 0.315 42.589 42.059 0.358 0.000 1.226 1176 L HN 0.621 nan 8.230 nan 0.000 0.429 1177 N N 3.486 122.311 118.700 0.209 0.000 2.467 1177 N HA 0.532 5.276 4.740 0.006 0.000 0.262 1177 N C -0.583 174.979 175.510 0.088 0.000 1.234 1177 N CA -0.047 53.071 53.050 0.112 0.000 0.952 1177 N CB 1.565 40.092 38.487 0.068 0.000 1.158 1177 N HN 0.380 nan 8.380 nan 0.000 0.463 1178 I N 0.830 121.385 120.570 -0.024 0.000 2.478 1178 I HA 0.158 4.332 4.170 0.006 0.000 0.287 1178 I C -0.158 175.866 176.117 -0.155 0.000 1.042 1178 I CA -0.524 60.653 61.300 -0.206 0.000 1.067 1178 I CB 1.844 39.651 38.000 -0.321 0.000 1.233 1178 I HN 0.507 nan 8.210 nan 0.000 0.431 1179 D N 3.790 124.087 120.400 -0.171 0.000 2.440 1179 D HA -0.022 4.621 4.640 0.006 0.000 0.216 1179 D C 0.418 176.633 176.300 -0.142 0.000 1.150 1179 D CA 0.007 53.934 54.000 -0.120 0.000 0.832 1179 D CB 0.062 40.810 40.800 -0.087 0.000 0.992 1179 D HN 0.528 nan 8.370 nan 0.000 0.502 1180 N N 0.582 119.163 118.700 -0.197 0.000 2.291 1180 N HA 0.125 4.869 4.740 0.006 0.000 0.244 1180 N C 0.779 176.151 175.510 -0.229 0.000 1.216 1180 N CA -0.361 52.592 53.050 -0.163 0.000 0.879 1180 N CB -0.259 38.169 38.487 -0.099 0.000 1.167 1180 N HN 0.189 nan 8.380 nan 0.000 0.515 1181 I N -0.181 120.156 120.570 -0.390 0.000 2.731 1181 I HA 0.032 4.205 4.170 0.006 0.000 0.260 1181 I C 0.809 176.666 176.117 -0.434 0.000 1.138 1181 I CA 0.636 61.567 61.300 -0.616 0.000 1.461 1181 I CB 0.170 37.367 38.000 -1.338 0.000 1.128 1181 I HN 0.365 nan 8.210 nan 0.000 0.438 1182 S N -1.684 113.841 115.700 -0.292 0.000 2.714 1182 S HA 0.175 4.649 4.470 0.006 0.000 0.280 1182 S C -0.195 174.377 174.600 -0.047 0.000 1.200 1182 S CA -0.681 57.448 58.200 -0.119 0.000 0.900 1182 S CB 0.713 63.881 63.200 -0.052 0.000 1.235 1182 S HN -0.057 nan 8.310 nan 0.000 0.512 1183 D N 1.657 122.053 120.400 -0.006 0.000 2.178 1183 D HA 0.044 4.687 4.640 0.006 0.000 0.201 1183 D C 0.888 177.199 176.300 0.017 0.000 0.980 1183 D CA 1.648 55.650 54.000 0.002 0.000 0.842 1183 D CB -0.302 40.502 40.800 0.006 0.000 0.948 1183 D HN 0.775 nan 8.370 nan 0.000 0.472 1184 E N -0.061 120.172 120.200 0.055 0.000 2.283 1184 E HA 0.334 4.688 4.350 0.006 0.000 0.267 1184 E C -0.301 176.365 176.600 0.110 0.000 1.045 1184 E CA -0.712 55.722 56.400 0.056 0.000 0.884 1184 E CB 1.284 31.000 29.700 0.027 0.000 1.106 1184 E HN -0.228 nan 8.360 nan 0.000 0.408 1185 S N 1.400 117.129 115.700 0.049 0.000 2.549 1185 S HA 0.160 4.634 4.470 0.006 0.000 0.279 1185 S C -1.128 173.526 174.600 0.090 0.000 1.321 1185 S CA -0.306 57.928 58.200 0.057 0.000 1.054 1185 S CB -0.046 63.153 63.200 -0.002 0.000 0.899 1185 S HN 0.468 nan 8.310 nan 0.000 0.497 1186 Y N 2.427 122.651 120.300 -0.126 0.000 2.631 1186 Y HA 0.679 5.234 4.550 0.009 0.000 0.328 1186 Y C 0.598 176.441 175.900 -0.095 0.000 1.118 1186 Y CA -1.141 56.879 58.100 -0.132 0.000 1.206 1186 Y CB 1.655 39.986 38.460 -0.216 0.000 1.337 1186 Y HN 0.677 nan 8.280 nan 0.000 0.515 1187 R N -0.112 120.431 120.500 0.070 0.000 2.710 1187 R HA 0.582 4.926 4.340 0.006 0.000 0.270 1187 R C -2.360 173.910 176.300 -0.050 0.000 1.021 1187 R CA -0.696 55.382 56.100 -0.037 0.000 0.889 1187 R CB 1.594 31.756 30.300 -0.229 0.000 1.243 1187 R HN 0.465 nan 8.270 nan 0.000 0.464 1188 V N 3.568 123.463 119.914 -0.032 0.000 2.488 1188 V HA 0.320 4.443 4.120 0.006 0.000 0.277 1188 V C -0.874 175.114 176.094 -0.177 0.000 1.046 1188 V CA 0.112 62.441 62.300 0.049 0.000 0.986 1188 V CB 0.602 32.591 31.823 0.277 0.000 0.989 1188 V HN 0.545 nan 8.190 nan 0.000 0.475 1189 Y N 2.598 122.932 120.300 0.057 0.000 2.446 1189 Y HA 0.603 5.156 4.550 0.006 0.000 0.345 1189 Y C 0.053 176.054 175.900 0.168 0.000 0.984 1189 Y CA -0.899 57.283 58.100 0.136 0.000 1.058 1189 Y CB 2.123 40.674 38.460 0.152 0.000 1.220 1189 Y HN 0.332 nan 8.280 nan 0.000 0.455 1190 V N 4.346 124.472 119.914 0.353 0.000 2.427 1190 V HA 0.222 4.346 4.120 0.006 0.000 0.286 1190 V C -0.422 175.811 176.094 0.232 0.000 1.034 1190 V CA -0.855 61.573 62.300 0.214 0.000 0.893 1190 V CB 1.283 33.190 31.823 0.140 0.000 0.982 1190 V HN 0.472 nan 8.190 nan 0.000 0.452 1191 L N 5.832 127.158 121.223 0.170 0.000 2.485 1191 L HA 0.107 4.451 4.340 0.006 0.000 0.279 1191 L C 1.207 178.000 176.870 -0.129 0.000 1.124 1191 L CA 0.636 55.537 54.840 0.101 0.000 0.888 1191 L CB 1.162 43.273 42.059 0.087 0.000 1.217 1191 L HN 0.706 nan 8.230 nan 0.000 0.464 1192 V N 0.173 119.959 119.914 -0.213 0.000 2.871 1192 V HA -0.043 4.081 4.120 0.006 0.000 0.256 1192 V C 1.105 177.161 176.094 -0.063 0.000 1.082 1192 V CA 1.194 63.266 62.300 -0.379 0.000 1.105 1192 V CB -0.760 30.906 31.823 -0.262 0.000 0.713 1192 V HN 0.855 nan 8.190 nan 0.000 0.473 1193 N N 0.875 119.537 118.700 -0.063 0.000 2.320 1193 N HA 0.217 4.961 4.740 0.006 0.000 0.237 1193 N C 0.242 175.760 175.510 0.014 0.000 1.129 1193 N CA 0.010 53.056 53.050 -0.006 0.000 0.854 1193 N CB 0.494 38.944 38.487 -0.060 0.000 1.083 1193 N HN 0.400 nan 8.380 nan 0.000 0.504 1194 S N 1.141 116.869 115.700 0.047 0.000 2.562 1194 S HA 0.120 4.594 4.470 0.006 0.000 0.275 1194 S C 1.004 175.667 174.600 0.106 0.000 1.281 1194 S CA -0.549 57.693 58.200 0.069 0.000 1.045 1194 S CB 0.794 64.045 63.200 0.085 0.000 0.962 1194 S HN 0.437 nan 8.310 nan 0.000 0.503 1195 K N 2.635 123.083 120.400 0.080 0.000 2.372 1195 K HA 0.282 4.605 4.320 0.006 0.000 0.200 1195 K C -0.277 176.371 176.600 0.080 0.000 1.022 1195 K CA -0.335 56.000 56.287 0.080 0.000 1.125 1195 K CB 0.204 32.736 32.500 0.052 0.000 0.855 1195 K HN 0.400 nan 8.250 nan 0.000 0.524 1196 E N 1.143 121.398 120.200 0.093 0.000 2.349 1196 E HA 0.099 4.453 4.350 0.006 0.000 0.262 1196 E C 1.156 177.820 176.600 0.107 0.000 1.088 1196 E CA -0.270 56.184 56.400 0.089 0.000 0.899 1196 E CB 0.910 30.673 29.700 0.104 0.000 1.044 1196 E HN 0.115 nan 8.360 nan 0.000 0.420 1197 I N 0.114 120.730 120.570 0.077 0.000 2.163 1197 I HA -0.286 3.888 4.170 0.006 0.000 0.243 1197 I C 1.192 177.385 176.117 0.126 0.000 1.085 1197 I CA 1.425 62.777 61.300 0.086 0.000 1.347 1197 I CB -0.050 37.970 38.000 0.033 0.000 1.044 1197 I HN 0.437 nan 8.210 nan 0.000 0.408 1198 Q N 0.080 119.948 119.800 0.114 0.000 2.394 1198 Q HA 0.575 4.919 4.340 0.006 0.000 0.273 1198 Q C -1.137 175.083 176.000 0.368 0.000 1.089 1198 Q CA -0.790 55.140 55.803 0.210 0.000 0.812 1198 Q CB 2.127 30.913 28.738 0.079 0.000 1.353 1198 Q HN -0.099 nan 8.270 nan 0.000 0.438 1199 T N 1.333 116.130 114.554 0.404 0.000 2.912 1199 T HA 0.264 4.618 4.350 0.006 0.000 0.299 1199 T C -0.857 173.900 174.700 0.095 0.000 1.052 1199 T CA -0.782 61.492 62.100 0.291 0.000 0.996 1199 T CB 1.766 70.727 68.868 0.156 0.000 1.070 1199 T HN 0.573 nan 8.240 nan 0.000 0.465 1200 Q N 1.620 121.252 119.800 -0.280 0.000 2.337 1200 Q HA 0.342 4.686 4.340 0.006 0.000 0.270 1200 Q C -0.232 175.674 176.000 -0.157 0.000 1.002 1200 Q CA -0.057 55.502 55.803 -0.408 0.000 0.888 1200 Q CB 0.463 28.808 28.738 -0.655 0.000 1.222 1200 Q HN 0.474 nan 8.270 nan 0.000 0.400 1201 L N 2.494 123.609 121.223 -0.180 0.000 2.439 1201 L HA 0.172 4.516 4.340 0.006 0.000 0.269 1201 L C -0.195 176.713 176.870 0.064 0.000 1.179 1201 L CA -0.260 54.475 54.840 -0.175 0.000 0.828 1201 L CB 0.195 41.901 42.059 -0.589 0.000 1.106 1201 L HN 0.554 nan 8.230 nan 0.000 0.467 1202 F N 4.401 124.327 119.950 -0.039 0.000 2.361 1202 F HA 0.416 4.946 4.527 0.006 0.000 0.364 1202 F C -0.552 175.302 175.800 0.091 0.000 1.120 1202 F CA -0.926 57.057 58.000 -0.027 0.000 1.102 1202 F CB 0.396 39.282 39.000 -0.190 0.000 1.183 1202 F HN 0.138 nan 8.300 nan 0.000 0.476 1203 L N 7.153 128.332 121.223 -0.073 0.000 2.262 1203 L HA 0.765 5.109 4.340 0.006 0.000 0.288 1203 L C -0.162 176.601 176.870 -0.178 0.000 1.035 1203 L CA -0.551 54.295 54.840 0.011 0.000 0.820 1203 L CB 0.509 42.732 42.059 0.272 0.000 1.204 1203 L HN 0.769 nan 8.230 nan 0.000 0.424 1204 A N 5.078 127.686 122.820 -0.353 0.000 2.587 1204 A HA 0.891 5.215 4.320 0.006 0.000 0.293 1204 A C -2.828 174.290 177.584 -0.776 0.000 1.087 1204 A CA -1.591 50.007 52.037 -0.732 0.000 0.692 1204 A CB 1.784 19.843 19.000 -1.568 0.000 1.291 1204 A HN 0.363 nan 8.150 nan 0.000 0.407 1205 P HA 0.145 nan 4.420 nan 0.000 0.268 1205 P C -0.120 176.974 177.300 -0.345 0.000 1.208 1205 P CA -0.088 62.558 63.100 -0.757 0.000 0.777 1205 P CB 0.149 31.506 31.700 -0.572 0.000 0.875 1206 I N 2.159 122.618 120.570 -0.185 0.000 2.845 1206 I HA -0.036 4.138 4.170 0.006 0.000 0.296 1206 I C 1.007 177.077 176.117 -0.077 0.000 1.216 1206 I CA 0.816 62.093 61.300 -0.038 0.000 1.438 1206 I CB -1.525 36.444 38.000 -0.051 0.000 1.342 1206 I HN 0.628 nan 8.210 nan 0.000 0.577 1207 N N 2.970 121.648 118.700 -0.037 0.000 2.823 1207 N HA 0.362 5.105 4.740 0.006 0.000 0.251 1207 N C -1.175 174.348 175.510 0.023 0.000 1.392 1207 N CA -0.752 52.264 53.050 -0.058 0.000 0.864 1207 N CB 1.378 39.782 38.487 -0.139 0.000 1.481 1207 N HN 0.296 nan 8.380 nan 0.000 0.508 1208 D N -0.589 119.833 120.400 0.038 0.000 2.755 1208 D HA 0.100 4.744 4.640 0.006 0.000 0.257 1208 D C -0.990 175.359 176.300 0.081 0.000 1.291 1208 D CA 0.094 54.138 54.000 0.073 0.000 0.836 1208 D CB -0.074 40.757 40.800 0.052 0.000 1.059 1208 D HN 0.479 nan 8.370 nan 0.000 0.486 1209 D N 1.565 122.027 120.400 0.104 0.000 2.339 1209 D HA 0.086 4.730 4.640 0.006 0.000 0.241 1209 D C -1.594 174.756 176.300 0.083 0.000 1.183 1209 D CA -1.906 52.153 54.000 0.098 0.000 0.859 1209 D CB 1.951 42.872 40.800 0.202 0.000 1.067 1209 D HN -0.051 nan 8.370 nan 0.000 0.484 1210 P HA -0.053 nan 4.420 nan 0.000 0.234 1210 P C 1.064 178.311 177.300 -0.087 0.000 1.167 1210 P CA 0.717 63.825 63.100 0.014 0.000 0.763 1210 P CB -0.108 31.590 31.700 -0.004 0.000 0.835 1211 T N -4.751 109.637 114.554 -0.276 0.000 3.118 1211 T HA 0.060 4.414 4.350 0.006 0.000 0.260 1211 T C 0.269 174.595 174.700 -0.624 0.000 1.139 1211 T CA 0.259 62.054 62.100 -0.509 0.000 1.085 1211 T CB -0.690 67.731 68.868 -0.744 0.000 0.934 1211 T HN -0.151 nan 8.240 nan 0.000 0.518 1212 F N 0.171 120.149 119.950 0.047 0.000 2.579 1212 F HA 0.706 5.238 4.527 0.007 0.000 0.324 1212 F C -0.641 175.368 175.800 0.348 0.000 1.058 1212 F CA -2.248 55.847 58.000 0.157 0.000 0.944 1212 F CB 1.419 40.497 39.000 0.131 0.000 1.245 1212 F HN -0.070 nan 8.300 nan 0.000 0.477 1213 Y N 1.550 122.115 120.300 0.442 0.000 2.470 1213 Y HA 0.314 4.868 4.550 0.006 0.000 0.341 1213 Y C -0.308 175.787 175.900 0.325 0.000 1.021 1213 Y CA -1.803 56.498 58.100 0.334 0.000 1.025 1213 Y CB 1.626 40.183 38.460 0.162 0.000 1.266 1213 Y HN 0.642 nan 8.280 nan 0.000 0.448 1214 D N 1.803 122.111 120.400 -0.153 0.000 2.469 1214 D HA 0.099 4.743 4.640 0.006 0.000 0.213 1214 D C -0.587 175.627 176.300 -0.144 0.000 1.135 1214 D CA 0.239 54.100 54.000 -0.231 0.000 0.834 1214 D CB 0.021 40.532 40.800 -0.482 0.000 1.009 1214 D HN 0.137 nan 8.370 nan 0.000 0.507 1215 V N 2.125 121.697 119.914 -0.570 0.000 2.405 1215 V HA 0.250 4.374 4.120 0.006 0.000 0.264 1215 V C 0.402 176.422 176.094 -0.122 0.000 1.048 1215 V CA -0.182 61.915 62.300 -0.338 0.000 0.966 1215 V CB 0.429 32.027 31.823 -0.374 0.000 1.015 1215 V HN 0.117 nan 8.190 nan 0.000 0.477 1216 L N 4.837 126.033 121.223 -0.045 0.000 2.286 1216 L HA 0.693 5.036 4.340 0.006 0.000 0.265 1216 L C -0.399 176.423 176.870 -0.080 0.000 1.012 1216 L CA -0.872 53.942 54.840 -0.044 0.000 0.818 1216 L CB 1.887 43.854 42.059 -0.153 0.000 1.337 1216 L HN 0.489 nan 8.230 nan 0.000 0.438 1217 Q N 1.246 120.955 119.800 -0.152 0.000 2.285 1217 Q HA 0.564 4.908 4.340 0.006 0.000 0.269 1217 Q C -1.336 174.517 176.000 -0.244 0.000 1.030 1217 Q CA -0.405 55.243 55.803 -0.257 0.000 0.788 1217 Q CB 3.124 31.674 28.738 -0.314 0.000 1.266 1217 Q HN 0.427 nan 8.270 nan 0.000 0.438 1218 I N 2.741 123.158 120.570 -0.254 0.000 2.365 1218 I HA 0.397 4.570 4.170 0.006 0.000 0.291 1218 I C -0.026 175.931 176.117 -0.267 0.000 1.004 1218 I CA -0.525 60.638 61.300 -0.229 0.000 1.311 1218 I CB 0.580 38.452 38.000 -0.213 0.000 1.401 1218 I HN 0.358 nan 8.210 nan 0.000 0.491 1219 K N 5.283 125.506 120.400 -0.296 0.000 2.433 1219 K HA 0.510 4.833 4.320 0.006 0.000 0.252 1219 K C -0.904 175.432 176.600 -0.441 0.000 1.015 1219 K CA -0.983 55.019 56.287 -0.476 0.000 0.860 1219 K CB 2.488 34.484 32.500 -0.841 0.000 1.359 1219 K HN 0.395 nan 8.250 nan 0.000 0.452 1220 K N 1.829 121.925 120.400 -0.507 0.000 2.752 1220 K HA 0.216 4.539 4.320 0.006 0.000 0.199 1220 K C -0.372 175.979 176.600 -0.414 0.000 1.069 1220 K CA -0.114 55.937 56.287 -0.393 0.000 1.033 1220 K CB 0.402 32.767 32.500 -0.226 0.000 1.229 1220 K HN 0.443 nan 8.250 nan 0.000 0.572 1221 Y N 1.316 121.359 120.300 -0.429 0.000 2.457 1221 Y HA -0.092 4.462 4.550 0.005 0.000 0.292 1221 Y C 0.301 176.089 175.900 -0.186 0.000 1.125 1221 Y CA 0.692 58.602 58.100 -0.317 0.000 1.254 1221 Y CB 0.043 38.349 38.460 -0.257 0.000 1.012 1221 Y HN 0.481 nan 8.280 nan 0.000 0.555 1222 Y N -4.012 116.365 120.300 0.127 0.000 2.895 1222 Y HA 0.272 4.825 4.550 0.005 0.000 0.339 1222 Y C 0.042 175.969 175.900 0.045 0.000 1.363 1222 Y CA -2.525 55.620 58.100 0.074 0.000 1.085 1222 Y CB -0.081 38.420 38.460 0.069 0.000 1.500 1222 Y HN 0.055 nan 8.280 nan 0.000 0.442 1223 E N -0.247 120.146 120.200 0.321 0.000 2.199 1223 E HA -0.311 4.043 4.350 0.006 0.000 0.208 1223 E C -0.366 176.285 176.600 0.085 0.000 1.310 1223 E CA 1.255 57.763 56.400 0.181 0.000 0.709 1223 E CB -1.369 28.453 29.700 0.204 0.000 1.127 1223 E HN 0.776 nan 8.360 nan 0.000 0.354 1224 K N 0.124 120.560 120.400 0.059 0.000 2.504 1224 K HA -0.067 4.257 4.320 0.006 0.000 0.195 1224 K C 2.074 178.678 176.600 0.005 0.000 1.036 1224 K CA 1.487 57.781 56.287 0.012 0.000 0.984 1224 K CB 0.067 32.567 32.500 0.000 0.000 0.788 1224 K HN 0.623 nan 8.250 nan 0.000 0.488 1225 T N -1.996 112.567 114.554 0.016 0.000 3.081 1225 T HA -0.024 4.330 4.350 0.006 0.000 0.250 1225 T C 1.083 175.777 174.700 -0.010 0.000 1.100 1225 T CA 0.106 62.197 62.100 -0.015 0.000 1.038 1225 T CB -0.243 68.626 68.868 0.000 0.000 0.962 1225 T HN 0.149 nan 8.240 nan 0.000 0.516 1226 T N -0.797 113.745 114.554 -0.020 0.000 2.810 1226 T HA 0.383 4.737 4.350 0.006 0.000 0.277 1226 T C 0.158 174.861 174.700 0.005 0.000 0.973 1226 T CA -0.732 61.285 62.100 -0.138 0.000 0.949 1226 T CB 0.527 69.352 68.868 -0.072 0.000 1.075 1226 T HN 0.088 nan 8.240 nan 0.000 0.537 1227 Y N -0.343 119.959 120.300 0.004 0.000 2.493 1227 Y HA 0.382 4.935 4.550 0.005 0.000 0.275 1227 Y C 1.030 176.935 175.900 0.009 0.000 1.183 1227 Y CA -1.632 56.462 58.100 -0.010 0.000 1.258 1227 Y CB -1.011 37.420 38.460 -0.049 0.000 1.108 1227 Y HN 0.480 nan 8.280 nan 0.000 0.521 1228 N N 0.894 119.676 118.700 0.137 0.000 2.483 1228 N HA 0.384 5.128 4.740 0.006 0.000 0.269 1228 N C -0.119 175.426 175.510 0.058 0.000 1.209 1228 N CA 0.285 53.400 53.050 0.108 0.000 0.969 1228 N CB 1.846 40.383 38.487 0.084 0.000 1.173 1228 N HN 0.265 nan 8.380 nan 0.000 0.475 1229 C N -0.728 118.614 119.300 0.069 0.000 3.291 1229 C HA 0.647 5.110 4.460 0.006 0.000 0.316 1229 C C -1.130 173.903 174.990 0.071 0.000 1.391 1229 C CA -0.895 58.131 59.018 0.014 0.000 1.394 1229 C CB 1.129 28.893 27.740 0.041 0.000 1.744 1229 C HN 0.587 nan 8.230 nan 0.000 0.461 1230 Q N 0.400 120.202 119.800 0.003 0.000 2.351 1230 Q HA 0.837 5.181 4.340 0.006 0.000 0.273 1230 Q C -1.134 174.884 176.000 0.029 0.000 1.077 1230 Q CA -0.339 55.528 55.803 0.106 0.000 0.843 1230 Q CB 1.934 30.744 28.738 0.120 0.000 1.367 1230 Q HN 0.730 nan 8.270 nan 0.000 0.449 1231 I N 1.777 122.363 120.570 0.027 0.000 2.410 1231 I HA 0.377 4.551 4.170 0.006 0.000 0.286 1231 I C -1.273 174.722 176.117 -0.202 0.000 1.009 1231 I CA -0.898 60.238 61.300 -0.275 0.000 1.111 1231 I CB 1.310 38.854 38.000 -0.760 0.000 1.262 1231 I HN 0.351 nan 8.210 nan 0.000 0.443 1232 L N 7.211 128.366 121.223 -0.114 0.000 2.331 1232 L HA 0.716 5.059 4.340 0.006 0.000 0.275 1232 L C -1.036 175.888 176.870 0.091 0.000 1.022 1232 L CA -0.122 54.763 54.840 0.075 0.000 0.812 1232 L CB 1.745 43.886 42.059 0.136 0.000 1.257 1232 L HN 0.785 nan 8.230 nan 0.000 0.435 1233 C N 4.273 123.740 119.300 0.280 0.000 2.431 1233 C HA 0.725 5.189 4.460 0.006 0.000 0.321 1233 C C -0.795 174.498 174.990 0.505 0.000 1.202 1233 C CA -0.263 59.004 59.018 0.415 0.000 1.398 1233 C CB 0.551 28.613 27.740 0.536 0.000 2.047 1233 C HN 0.960 nan 8.230 nan 0.000 0.465 1234 E N 3.120 123.602 120.200 0.469 0.000 2.314 1234 E HA 0.437 4.791 4.350 0.006 0.000 0.272 1234 E C -1.284 175.543 176.600 0.380 0.000 0.884 1234 E CA -0.593 55.982 56.400 0.292 0.000 0.753 1234 E CB 2.157 31.968 29.700 0.185 0.000 1.213 1234 E HN 0.574 nan 8.360 nan 0.000 0.432 1235 K N 2.737 123.232 120.400 0.157 0.000 2.987 1235 K HA 0.112 4.436 4.320 0.006 0.000 0.224 1235 K C -1.205 175.386 176.600 -0.015 0.000 1.209 1235 K CA 0.107 56.460 56.287 0.111 0.000 0.971 1235 K CB 0.557 33.052 32.500 -0.008 0.000 1.252 1235 K HN 0.445 nan 8.250 nan 0.000 0.580 1236 D N 0.041 120.433 120.400 -0.013 0.000 2.399 1236 D HA 0.008 4.652 4.640 0.006 0.000 0.269 1236 D C 1.084 177.385 176.300 0.003 0.000 1.105 1236 D CA 0.602 54.623 54.000 0.035 0.000 0.844 1236 D CB 1.055 41.889 40.800 0.058 0.000 1.372 1236 D HN 0.376 nan 8.370 nan 0.000 0.517 1237 T N -0.490 114.049 114.554 -0.026 0.000 3.113 1237 T HA 0.039 4.393 4.350 0.006 0.000 0.256 1237 T C 0.584 175.232 174.700 -0.087 0.000 1.131 1237 T CA 0.406 62.484 62.100 -0.036 0.000 1.074 1237 T CB -0.009 68.843 68.868 -0.026 0.000 0.944 1237 T HN -0.258 nan 8.240 nan 0.000 0.516 1238 K N 2.520 122.825 120.400 -0.159 0.000 2.293 1238 K HA 0.335 4.659 4.320 0.006 0.000 0.267 1238 K C -0.935 175.363 176.600 -0.504 0.000 1.010 1238 K CA -0.168 55.922 56.287 -0.329 0.000 0.875 1238 K CB 1.291 33.549 32.500 -0.403 0.000 1.106 1238 K HN 0.076 nan 8.250 nan 0.000 0.450 1239 T N 5.067 119.398 114.554 -0.372 0.000 2.767 1239 T HA 0.320 4.673 4.350 0.006 0.000 0.288 1239 T C 0.876 175.401 174.700 -0.291 0.000 0.963 1239 T CA -0.310 61.641 62.100 -0.249 0.000 1.019 1239 T CB 0.271 69.106 68.868 -0.054 0.000 0.923 1239 T HN 0.307 nan 8.240 nan 0.000 0.468 1240 F N 1.683 121.740 119.950 0.177 0.000 2.746 1240 F HA 0.441 4.972 4.527 0.006 0.000 0.297 1240 F C 1.790 177.724 175.800 0.223 0.000 1.113 1240 F CA 0.264 58.381 58.000 0.196 0.000 1.367 1240 F CB -0.120 39.019 39.000 0.231 0.000 1.111 1240 F HN 0.927 nan 8.300 nan 0.000 0.590 1241 G N 0.274 109.285 108.800 0.353 0.000 2.362 1241 G HA2 -0.028 3.935 3.960 0.006 0.000 0.517 1241 G HA3 -0.028 3.935 3.960 0.006 0.000 0.517 1241 G C -1.417 173.725 174.900 0.405 0.000 1.256 1241 G CA -1.100 44.209 45.100 0.348 0.000 1.027 1241 G HN 0.025 nan 8.290 nan 0.000 0.491 1242 L N -0.316 121.188 121.223 0.468 0.000 2.334 1242 L HA 0.660 5.003 4.340 0.006 0.000 0.272 1242 L C 0.159 177.411 176.870 0.637 0.000 1.020 1242 L CA -0.984 54.139 54.840 0.471 0.000 0.812 1242 L CB 1.268 43.540 42.059 0.356 0.000 1.264 1242 L HN 0.441 nan 8.230 nan 0.000 0.439 1243 F N 0.916 121.037 119.950 0.285 0.000 2.518 1243 F HA 0.472 5.003 4.527 0.006 0.000 0.359 1243 F C 1.005 177.128 175.800 0.538 0.000 1.118 1243 F CA -0.275 57.920 58.000 0.325 0.000 1.287 1243 F CB 0.562 39.648 39.000 0.142 0.000 1.132 1243 F HN 0.503 nan 8.300 nan 0.000 0.587 1244 G N 2.260 111.535 108.800 0.791 0.000 2.664 1244 G HA2 0.624 4.588 3.960 0.006 0.000 0.303 1244 G HA3 0.624 4.588 3.960 0.006 0.000 0.303 1244 G C -1.740 173.618 174.900 0.763 0.000 1.243 1244 G CA -0.792 44.696 45.100 0.646 0.000 0.826 1244 G HN 0.405 nan 8.290 nan 0.000 0.498 1245 I N 0.763 121.678 120.570 0.576 0.000 2.499 1245 I HA 0.625 4.799 4.170 0.006 0.000 0.288 1245 I C 0.223 176.598 176.117 0.429 0.000 1.048 1245 I CA -0.671 60.923 61.300 0.490 0.000 1.062 1245 I CB 2.195 40.378 38.000 0.306 0.000 1.238 1245 I HN 0.737 nan 8.210 nan 0.000 0.426 1246 G N 4.378 113.466 108.800 0.480 0.000 2.574 1246 G HA2 0.554 4.518 3.960 0.006 0.000 0.299 1246 G HA3 0.554 4.518 3.960 0.006 0.000 0.299 1246 G C -1.312 173.763 174.900 0.292 0.000 1.298 1246 G CA -0.711 44.565 45.100 0.292 0.000 0.952 1246 G HN 0.437 nan 8.290 nan 0.000 0.477 1247 K N 0.450 120.838 120.400 -0.020 0.000 2.258 1247 K HA 0.495 4.819 4.320 0.006 0.000 0.284 1247 K C -1.178 175.349 176.600 -0.122 0.000 1.051 1247 K CA 0.002 56.322 56.287 0.056 0.000 0.923 1247 K CB 0.900 33.328 32.500 -0.120 0.000 1.046 1247 K HN 0.306 nan 8.250 nan 0.000 0.474 1248 F N 0.790 120.903 119.950 0.273 0.000 2.631 1248 F HA 0.324 4.853 4.527 0.004 0.000 0.328 1248 F C 0.388 176.336 175.800 0.246 0.000 1.067 1248 F CA -1.159 56.967 58.000 0.209 0.000 0.969 1248 F CB 0.877 39.981 39.000 0.173 0.000 1.332 1248 F HN 0.180 nan 8.300 nan 0.000 0.490 1260 D N 0.570 121.128 120.400 0.262 0.000 2.596 1260 D HA 0.384 5.028 4.640 0.006 0.000 0.262 1260 D C -1.694 174.679 176.300 0.122 0.000 1.210 1260 D CA -0.975 53.016 54.000 -0.014 0.000 0.873 1260 D CB 1.173 41.801 40.800 -0.286 0.000 1.408 1260 D HN 0.554 nan 8.370 nan 0.000 0.441 1261 N N 0.573 119.212 118.700 -0.101 0.000 2.426 1261 N HA 0.383 5.127 4.740 0.006 0.000 0.275 1261 N C -1.376 174.059 175.510 -0.126 0.000 1.019 1261 N CA -0.140 52.942 53.050 0.054 0.000 0.941 1261 N CB 0.694 39.213 38.487 0.054 0.000 1.123 1261 N HN 0.324 nan 8.380 nan 0.000 0.486 1262 Y N 0.516 121.009 120.300 0.322 0.000 2.499 1262 Y HA 0.336 4.895 4.550 0.014 0.000 0.347 1262 Y C 0.098 176.220 175.900 0.370 0.000 0.987 1262 Y CA -1.114 57.136 58.100 0.249 0.000 1.044 1262 Y CB 1.175 39.656 38.460 0.035 0.000 1.245 1262 Y HN 0.349 nan 8.280 nan 0.000 0.461 1263 F N 4.660 124.802 119.950 0.319 0.000 2.571 1263 F HA 0.272 4.805 4.527 0.010 0.000 0.390 1263 F C 0.301 176.215 175.800 0.190 0.000 1.043 1263 F CA -0.784 57.377 58.000 0.269 0.000 1.164 1263 F CB -0.614 38.503 39.000 0.195 0.000 1.049 1263 F HN 0.630 nan 8.300 nan 0.000 0.552 1264 C N 6.304 125.702 119.300 0.164 0.000 3.285 1264 C HA 0.795 5.259 4.460 0.006 0.000 0.320 1264 C C -0.529 174.453 174.990 -0.013 0.000 1.411 1264 C CA -1.353 57.707 59.018 0.070 0.000 1.429 1264 C CB 1.182 29.206 27.740 0.473 0.000 1.812 1264 C HN 0.908 nan 8.230 nan 0.000 0.454 1265 I N 1.719 122.334 120.570 0.075 0.000 2.474 1265 I HA 0.665 4.838 4.170 0.006 0.000 0.294 1265 I C -0.371 175.969 176.117 0.372 0.000 1.005 1265 I CA 0.278 61.728 61.300 0.249 0.000 1.113 1265 I CB 1.691 39.821 38.000 0.215 0.000 1.289 1265 I HN 0.995 nan 8.210 nan 0.000 0.436 1266 S N 5.082 121.067 115.700 0.475 0.000 2.548 1266 S HA 0.316 4.790 4.470 0.006 0.000 0.276 1266 S C 0.236 175.042 174.600 0.342 0.000 1.129 1266 S CA -0.674 57.744 58.200 0.364 0.000 0.931 1266 S CB 1.901 65.251 63.200 0.251 0.000 1.068 1266 S HN 0.735 nan 8.310 nan 0.000 0.480 1267 Q N 2.843 122.792 119.800 0.249 0.000 2.436 1267 Q HA -0.088 4.255 4.340 0.006 0.000 0.209 1267 Q C 1.607 177.701 176.000 0.158 0.000 0.965 1267 Q CA 0.661 56.581 55.803 0.195 0.000 0.910 1267 Q CB -0.081 28.748 28.738 0.152 0.000 0.980 1267 Q HN 0.925 nan 8.270 nan 0.000 0.491 1268 W N 0.823 122.075 121.300 -0.081 0.000 2.342 1268 W HA -0.250 4.413 4.660 0.005 0.000 0.297 1268 W C 0.505 176.937 176.519 -0.146 0.000 1.213 1268 W CA 0.998 58.230 57.345 -0.188 0.000 1.251 1268 W CB -0.209 29.032 29.460 -0.365 0.000 1.136 1268 W HN 0.137 nan 8.180 nan 0.000 0.526 1269 Y N 0.671 120.949 120.300 -0.038 0.000 2.571 1269 Y HA -0.039 4.514 4.550 0.005 0.000 0.294 1269 Y C 2.370 178.177 175.900 -0.154 0.000 1.141 1269 Y CA 1.007 59.015 58.100 -0.154 0.000 1.308 1269 Y CB -0.801 37.714 38.460 0.092 0.000 1.002 1269 Y HN -0.083 nan 8.280 nan 0.000 0.551 1270 L N -0.641 120.590 121.223 0.013 0.000 2.585 1270 L HA 0.118 4.462 4.340 0.006 0.000 0.226 1270 L C 0.619 177.420 176.870 -0.115 0.000 1.113 1270 L CA 0.038 54.852 54.840 -0.044 0.000 0.876 1270 L CB -0.039 42.023 42.059 0.005 0.000 1.072 1270 L HN -0.060 nan 8.230 nan 0.000 0.468 1271 R N 1.395 121.782 120.500 -0.187 0.000 2.489 1271 R HA 0.082 4.425 4.340 0.006 0.000 0.287 1271 R C -0.037 176.132 176.300 -0.219 0.000 1.053 1271 R CA -0.359 55.622 56.100 -0.199 0.000 1.036 1271 R CB 0.453 30.606 30.300 -0.244 0.000 0.966 1271 R HN -0.045 nan 8.270 nan 0.000 0.432 1272 R N 4.042 124.456 120.500 -0.143 0.000 4.071 1272 R HA 0.087 4.430 4.340 0.006 0.000 0.220 1272 R C 0.966 177.195 176.300 -0.118 0.000 1.614 1272 R CA -0.168 55.856 56.100 -0.126 0.000 1.505 1272 R CB -0.859 29.390 30.300 -0.085 0.000 1.384 1272 R HN 0.674 nan 8.270 nan 0.000 0.758 1273 I N -0.372 120.101 120.570 -0.163 0.000 2.226 1273 I HA -0.253 3.921 4.170 0.006 0.000 0.245 1273 I C 0.756 176.826 176.117 -0.080 0.000 1.100 1273 I CA 1.313 62.539 61.300 -0.123 0.000 1.374 1273 I CB -0.023 37.874 38.000 -0.173 0.000 1.057 1273 I HN 0.359 nan 8.210 nan 0.000 0.413 1274 S N -1.614 114.032 115.700 -0.091 0.000 2.611 1274 S HA 0.309 4.783 4.470 0.006 0.000 0.268 1274 S C 0.043 174.598 174.600 -0.076 0.000 1.156 1274 S CA -0.879 57.281 58.200 -0.067 0.000 0.817 1274 S CB 1.544 64.713 63.200 -0.053 0.000 1.122 1274 S HN -0.024 nan 8.310 nan 0.000 0.466 1275 E N 1.376 121.541 120.200 -0.059 0.000 2.265 1275 E HA -0.081 4.273 4.350 0.006 0.000 0.196 1275 E C 1.338 177.894 176.600 -0.073 0.000 0.996 1275 E CA 1.513 57.878 56.400 -0.058 0.000 0.832 1275 E CB -0.191 29.486 29.700 -0.040 0.000 0.756 1275 E HN 0.676 nan 8.360 nan 0.000 0.491 1276 N N 0.210 118.865 118.700 -0.075 0.000 2.230 1276 N HA -0.033 4.711 4.740 0.006 0.000 0.202 1276 N C 1.269 176.708 175.510 -0.119 0.000 1.119 1276 N CA -0.059 52.940 53.050 -0.086 0.000 0.851 1276 N CB 0.007 38.458 38.487 -0.060 0.000 0.990 1276 N HN 0.069 nan 8.380 nan 0.000 0.497 1277 I N 1.837 122.325 120.570 -0.137 0.000 2.248 1277 I HA -0.243 3.931 4.170 0.006 0.000 0.248 1277 I C 1.042 177.028 176.117 -0.218 0.000 1.107 1277 I CA 1.279 62.480 61.300 -0.165 0.000 1.373 1277 I CB -0.589 37.292 38.000 -0.198 0.000 1.055 1277 I HN 0.107 nan 8.210 nan 0.000 0.418 1278 N N 0.623 119.133 118.700 -0.318 0.000 2.520 1278 N HA -0.133 4.611 4.740 0.006 0.000 0.185 1278 N C 1.567 176.845 175.510 -0.387 0.000 1.068 1278 N CA 0.818 53.535 53.050 -0.555 0.000 0.911 1278 N CB -0.208 37.629 38.487 -1.084 0.000 0.961 1278 N HN 0.524 nan 8.380 nan 0.000 0.446 1279 K N 0.030 120.300 120.400 -0.218 0.000 2.361 1279 K HA 0.187 4.511 4.320 0.006 0.000 0.196 1279 K C 1.560 178.113 176.600 -0.077 0.000 1.039 1279 K CA 0.360 56.574 56.287 -0.122 0.000 1.001 1279 K CB 0.384 32.835 32.500 -0.081 0.000 0.795 1279 K HN 0.123 nan 8.250 nan 0.000 0.495 1280 L N -0.389 120.788 121.223 -0.077 0.000 2.425 1280 L HA 0.158 4.502 4.340 0.006 0.000 0.215 1280 L C 1.141 178.014 176.870 0.005 0.000 1.065 1280 L CA -0.072 54.752 54.840 -0.027 0.000 0.842 1280 L CB 0.279 42.327 42.059 -0.019 0.000 1.033 1280 L HN -0.039 nan 8.230 nan 0.000 0.474 1281 R N 1.402 121.894 120.500 -0.013 0.000 2.278 1281 R HA 0.327 4.670 4.340 0.006 0.000 0.322 1281 R C 0.038 176.374 176.300 0.060 0.000 1.058 1281 R CA -0.135 56.007 56.100 0.071 0.000 0.991 1281 R CB 0.530 30.853 30.300 0.038 0.000 1.140 1281 R HN 0.261 nan 8.270 nan 0.000 0.518 1282 L N 2.922 124.176 121.223 0.052 0.000 2.664 1282 L HA 0.276 4.620 4.340 0.006 0.000 0.233 1282 L C 1.959 178.763 176.870 -0.110 0.000 1.113 1282 L CA 0.169 54.998 54.840 -0.018 0.000 0.896 1282 L CB 0.650 42.691 42.059 -0.031 0.000 1.163 1282 L HN 0.748 nan 8.230 nan 0.000 0.497 1283 G N 0.560 109.343 108.800 -0.030 0.000 2.535 1283 G HA2 -0.234 3.729 3.960 0.006 0.000 0.218 1283 G HA3 -0.234 3.729 3.960 0.006 0.000 0.218 1283 G C 1.245 175.845 174.900 -0.500 0.000 1.122 1283 G CA 0.920 45.934 45.100 -0.144 0.000 0.769 1283 G HN 0.618 nan 8.290 nan 0.000 0.549 1284 C N -0.409 118.525 119.300 -0.610 0.000 2.780 1284 C HA 0.423 4.887 4.460 0.006 0.000 0.287 1284 C C 0.179 174.941 174.990 -0.379 0.000 1.288 1284 C CA -1.875 56.755 59.018 -0.648 0.000 1.713 1284 C CB -1.246 26.023 27.740 -0.785 0.000 1.955 1284 C HN 0.088 nan 8.230 nan 0.000 0.613 1285 N N 0.995 119.407 118.700 -0.479 0.000 2.408 1285 N HA 0.458 5.202 4.740 0.006 0.000 0.280 1285 N C -1.267 173.971 175.510 -0.452 0.000 1.002 1285 N CA 0.189 53.081 53.050 -0.263 0.000 0.907 1285 N CB 0.933 39.382 38.487 -0.063 0.000 1.161 1285 N HN 0.619 nan 8.380 nan 0.000 0.488 1286 W N 0.488 121.755 121.300 -0.056 0.000 2.781 1286 W HA 0.481 5.143 4.660 0.003 0.000 0.345 1286 W C 0.037 176.507 176.519 -0.083 0.000 1.085 1286 W CA -0.651 56.616 57.345 -0.130 0.000 1.198 1286 W CB 1.488 30.775 29.460 -0.288 0.000 1.423 1286 W HN 0.131 nan 8.180 nan 0.000 0.532 1287 Q N 1.127 121.057 119.800 0.217 0.000 2.397 1287 Q HA 0.518 4.862 4.340 0.006 0.000 0.275 1287 Q C -1.537 174.385 176.000 -0.130 0.000 1.090 1287 Q CA -1.130 54.754 55.803 0.136 0.000 0.809 1287 Q CB 2.665 31.607 28.738 0.340 0.000 1.362 1287 Q HN 0.294 nan 8.270 nan 0.000 0.431 1288 F N 1.741 121.628 119.950 -0.105 0.000 2.415 1288 F HA 0.464 4.996 4.527 0.009 0.000 0.348 1288 F C 0.055 175.724 175.800 -0.219 0.000 1.119 1288 F CA -0.585 57.233 58.000 -0.304 0.000 1.069 1288 F CB 0.929 39.384 39.000 -0.908 0.000 1.124 1288 F HN 0.263 nan 8.300 nan 0.000 0.472 1289 I N 5.999 126.653 120.570 0.140 0.000 2.359 1289 I HA 0.297 4.470 4.170 0.006 0.000 0.284 1289 I C -2.469 173.960 176.117 0.520 0.000 1.018 1289 I CA -2.128 59.225 61.300 0.087 0.000 1.173 1289 I CB 1.215 39.068 38.000 -0.245 0.000 1.326 1289 I HN 0.257 nan 8.210 nan 0.000 0.462 1290 P HA 0.169 nan 4.420 nan 0.000 0.281 1290 P C -0.203 177.425 177.300 0.546 0.000 1.249 1290 P CA -0.361 63.040 63.100 0.502 0.000 0.810 1290 P CB 1.249 33.208 31.700 0.432 0.000 1.008 1291 V N 2.256 122.271 119.914 0.169 0.000 2.540 1291 V HA 0.029 4.153 4.120 0.006 0.000 0.297 1291 V C 0.626 176.812 176.094 0.153 0.000 1.024 1291 V CA 0.897 63.150 62.300 -0.079 0.000 1.105 1291 V CB -0.554 31.092 31.823 -0.295 0.000 0.938 1291 V HN 0.648 nan 8.190 nan 0.000 0.482 1292 D N 1.786 122.334 120.400 0.247 0.000 2.619 1292 D HA 0.328 4.972 4.640 0.006 0.000 0.241 1292 D C 1.040 177.365 176.300 0.041 0.000 1.087 1292 D CA -0.517 53.492 54.000 0.015 0.000 0.851 1292 D CB 1.733 42.255 40.800 -0.463 0.000 1.474 1292 D HN 0.692 nan 8.370 nan 0.000 0.478 1293 E N 1.487 121.697 120.200 0.015 0.000 2.204 1293 E HA -0.092 4.262 4.350 0.006 0.000 0.195 1293 E C 1.395 178.075 176.600 0.134 0.000 0.990 1293 E CA 0.891 57.333 56.400 0.070 0.000 0.821 1293 E CB -0.134 29.586 29.700 0.035 0.000 0.750 1293 E HN 0.435 nan 8.360 nan 0.000 0.477 1294 G N 0.165 109.031 108.800 0.111 0.000 2.920 1294 G HA2 -0.105 3.859 3.960 0.006 0.000 0.208 1294 G HA3 -0.105 3.859 3.960 0.006 0.000 0.208 1294 G C -0.548 174.340 174.900 -0.020 0.000 1.159 1294 G CA -0.355 44.805 45.100 0.101 0.000 0.784 1294 G HN 0.294 nan 8.290 nan 0.000 0.535 1295 W N 2.298 123.483 121.300 -0.191 0.000 2.664 1295 W HA 0.419 5.076 4.660 -0.005 0.000 0.314 1295 W C -0.793 175.731 176.519 0.009 0.000 1.010 1295 W CA -0.686 56.561 57.345 -0.164 0.000 1.306 1295 W CB 1.283 30.658 29.460 -0.141 0.000 1.254 1295 W HN 0.039 nan 8.180 nan 0.000 0.404 1296 T N 1.402 115.835 114.554 -0.203 0.000 2.888 1296 T HA 0.697 5.051 4.350 0.006 0.000 0.284 1296 T C -0.638 173.988 174.700 -0.124 0.000 1.017 1296 T CA -0.509 61.587 62.100 -0.007 0.000 1.022 1296 T CB 2.984 71.820 68.868 -0.052 0.000 1.013 1296 T HN 0.422 nan 8.240 nan 0.000 0.465 1297 E N 1.537 121.797 120.200 0.101 0.000 2.317 1297 E HA 0.413 4.766 4.350 0.006 0.000 0.270 1297 E C -0.519 176.133 176.600 0.087 0.000 0.885 1297 E CA -1.130 55.328 56.400 0.096 0.000 0.760 1297 E CB 1.764 31.590 29.700 0.210 0.000 1.227 1297 E HN 0.386 nan 8.360 nan 0.000 0.434 1298 L N 2.706 123.966 121.223 0.060 0.000 2.483 1298 L HA 0.051 4.394 4.340 0.006 0.000 0.276 1298 L C 0.688 177.605 176.870 0.078 0.000 1.213 1298 L CA 1.084 55.958 54.840 0.058 0.000 0.843 1298 L CB -0.460 41.640 42.059 0.068 0.000 1.107 1298 L HN 0.844 nan 8.230 nan 0.000 0.487 1299 Q N 0.000 119.838 119.800 0.064 0.000 2.315 1299 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 1299 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 1299 Q CB 0.000 28.772 28.738 0.057 0.000 1.108 1299 Q HN 0.000 nan 8.270 nan 0.000 0.481