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 3n7m_1_A DATA FIRST_RESID 863 DATA SEQUENCE SINDSKILSL QNKKNTLMDT SGYNAEVRVE GNVQLNPIFP FDFKLGSSGD DATA SEQUENCE DRGKVIVTQN ENIVYNAMYE SFSISFWIRI NKWVSNLPGY TIIDSVKNNS DATA SEQUENCE GWSIGIISNF LVFTLKQNEN SEQDINFSYD ISKNAAGYNK WFFVTITTNM DATA SEQUENCE MGNMMIYING KLIDTIKVKE LTGINFSKTI TFQMNKIPNT GLITXXXXNI DATA SEQUENCE NMWIRDFYIF AKELDDKDIN ILFNSLQYTN VVKDYWGNDL RYDKEYYMIN DATA SEQUENCE VNYMNRYMSK KGNGIVFNTR KNNNDFNEGY KIIIKRIRGN TNDTRVRGEN DATA SEQUENCE VLYFNTTIDN KQYSLGMYKP SRNLGTDLVP LGALDQPMDE IRKYGSFIIQ DATA SEQUENCE PCNTFDYYAS QLFLSSNATT NRLGILSIGS YSFKLGDDYA FNHEYLIPVI DATA SEQUENCE KIEHYASLLE STSTHWVFVP AS 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 863 S HA 0.000 nan 4.470 nan 0.000 0.327 863 S C 0.000 174.612 174.600 0.019 0.000 1.055 863 S CA 0.000 58.210 58.200 0.017 0.000 1.107 863 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 864 I N 1.959 122.528 120.570 -0.002 0.000 3.251 864 I HA 0.240 4.296 4.170 -0.190 0.000 0.277 864 I C 1.455 177.636 176.117 0.107 0.000 1.268 864 I CA 0.960 62.245 61.300 -0.026 0.000 1.449 864 I CB -1.739 36.133 38.000 -0.213 0.000 1.083 864 I HN 0.278 nan 8.210 nan 0.000 0.464 865 N N 2.496 121.278 118.700 0.138 0.000 2.258 865 N HA -0.218 4.408 4.740 -0.190 0.000 0.187 865 N C 1.084 176.700 175.510 0.177 0.000 1.012 865 N CA 1.774 54.944 53.050 0.201 0.000 0.870 865 N CB -0.148 38.409 38.487 0.117 0.000 0.977 865 N HN 0.456 nan 8.380 nan 0.000 0.434 866 D N 0.111 120.591 120.400 0.133 0.000 2.182 866 D HA -0.101 4.425 4.640 -0.190 0.000 0.201 866 D C 1.894 178.289 176.300 0.159 0.000 0.986 866 D CA 1.115 55.188 54.000 0.122 0.000 0.847 866 D CB -0.210 40.642 40.800 0.088 0.000 0.942 866 D HN 0.361 nan 8.370 nan 0.000 0.467 867 S N -0.752 115.069 115.700 0.202 0.000 2.524 867 S HA -0.012 4.344 4.470 -0.190 0.000 0.216 867 S C 0.968 175.704 174.600 0.226 0.000 0.987 867 S CA -0.333 57.998 58.200 0.218 0.000 0.909 867 S CB 0.038 63.376 63.200 0.230 0.000 0.781 867 S HN 0.046 nan 8.310 nan 0.000 0.521 868 K N 2.519 123.061 120.400 0.237 0.000 2.366 868 K HA 0.063 4.269 4.320 -0.190 0.000 0.279 868 K C 0.786 177.351 176.600 -0.058 0.000 1.098 868 K CA 0.089 56.298 56.287 -0.131 0.000 1.087 868 K CB 0.002 32.396 32.500 -0.176 0.000 0.901 868 K HN 0.610 nan 8.250 nan 0.000 0.463 869 I N 1.850 122.314 120.570 -0.176 0.000 3.968 869 I HA 0.176 4.232 4.170 -0.190 0.000 0.328 869 I C -0.388 175.670 176.117 -0.098 0.000 1.290 869 I CA -0.395 60.757 61.300 -0.247 0.000 1.163 869 I CB 0.253 38.029 38.000 -0.372 0.000 1.024 869 I HN 0.286 nan 8.210 nan 0.000 0.413 870 L N 0.487 121.656 121.223 -0.090 0.000 2.543 870 L HA 0.535 4.761 4.340 -0.190 0.000 0.265 870 L C -1.010 175.855 176.870 -0.009 0.000 0.945 870 L CA -0.295 54.562 54.840 0.029 0.000 0.869 870 L CB 2.184 44.309 42.059 0.111 0.000 1.294 870 L HN -0.028 nan 8.230 nan 0.000 0.405 871 S N 5.002 120.735 115.700 0.055 0.000 2.158 871 S HA 0.382 4.738 4.470 -0.190 0.000 0.160 871 S C -0.961 173.787 174.600 0.246 0.000 1.693 871 S CA -0.460 57.766 58.200 0.044 0.000 1.251 871 S CB -0.038 63.047 63.200 -0.193 0.000 1.153 871 S HN 0.591 nan 8.310 nan 0.000 0.439 872 L N 4.780 126.245 121.223 0.404 0.000 2.600 872 L HA 0.389 4.615 4.340 -0.190 0.000 0.278 872 L C -0.079 176.994 176.870 0.338 0.000 1.139 872 L CA 1.272 56.317 54.840 0.342 0.000 0.933 872 L CB -0.188 42.111 42.059 0.401 0.000 1.266 872 L HN 0.646 nan 8.230 nan 0.000 0.471 873 Q N 3.542 123.477 119.800 0.226 0.000 2.587 873 Q HA 0.374 4.600 4.340 -0.190 0.000 0.293 873 Q C -0.853 175.222 176.000 0.126 0.000 1.083 873 Q CA -0.823 55.107 55.803 0.211 0.000 0.792 873 Q CB 1.992 30.847 28.738 0.195 0.000 1.484 873 Q HN 0.654 nan 8.270 nan 0.000 0.446 874 N N 1.042 119.815 118.700 0.121 0.000 2.546 874 N HA 0.262 4.888 4.740 -0.190 0.000 0.238 874 N C -1.479 174.004 175.510 -0.046 0.000 0.984 874 N CA -0.224 52.868 53.050 0.071 0.000 0.935 874 N CB 0.480 39.069 38.487 0.170 0.000 1.122 874 N HN 0.161 nan 8.380 nan 0.000 0.510 875 K N 1.881 122.253 120.400 -0.048 0.000 2.259 875 K HA 0.306 4.512 4.320 -0.190 0.000 0.252 875 K C -0.139 176.423 176.600 -0.063 0.000 0.936 875 K CA -0.595 55.636 56.287 -0.093 0.000 0.810 875 K CB 1.289 33.753 32.500 -0.059 0.000 1.143 875 K HN 0.356 nan 8.250 nan 0.000 0.427 876 K N 1.830 122.185 120.400 -0.075 0.000 2.960 876 K HA -0.351 3.855 4.320 -0.190 0.000 0.259 876 K C -0.550 176.043 176.600 -0.012 0.000 1.025 876 K CA 0.954 57.220 56.287 -0.036 0.000 0.756 876 K CB -1.262 31.223 32.500 -0.025 0.000 1.221 876 K HN 0.904 nan 8.250 nan 0.000 0.483 877 N N -0.744 117.952 118.700 -0.006 0.000 2.815 877 N HA -0.139 4.487 4.740 -0.190 0.000 0.249 877 N C -1.642 173.877 175.510 0.016 0.000 1.114 877 N CA 1.663 54.730 53.050 0.029 0.000 0.717 877 N CB -0.485 38.026 38.487 0.040 0.000 1.074 877 N HN 0.363 nan 8.380 nan 0.000 0.555 878 T N 0.534 115.088 114.554 -0.000 0.000 2.991 878 T HA 0.388 4.624 4.350 -0.190 0.000 0.303 878 T C -0.070 174.616 174.700 -0.024 0.000 1.015 878 T CA -0.672 61.419 62.100 -0.015 0.000 1.007 878 T CB 1.345 70.203 68.868 -0.017 0.000 1.034 878 T HN 0.169 nan 8.240 nan 0.000 0.446 879 L N 5.036 126.225 121.223 -0.057 0.000 2.418 879 L HA 0.556 4.782 4.340 -0.190 0.000 0.274 879 L C 0.347 177.182 176.870 -0.058 0.000 1.135 879 L CA 0.151 54.939 54.840 -0.087 0.000 0.870 879 L CB 0.039 41.956 42.059 -0.237 0.000 1.154 879 L HN 0.634 nan 8.230 nan 0.000 0.462 880 M N 0.933 120.524 119.600 -0.014 0.000 2.578 880 M HA 0.463 4.829 4.480 -0.190 0.000 0.276 880 M C -1.499 174.830 176.300 0.048 0.000 1.245 880 M CA -0.980 54.325 55.300 0.008 0.000 0.871 880 M CB 2.134 34.737 32.600 0.005 0.000 1.722 880 M HN 0.190 nan 8.290 nan 0.000 0.473 881 D N 1.837 122.271 120.400 0.057 0.000 2.317 881 D HA 0.290 4.816 4.640 -0.190 0.000 0.252 881 D C 0.411 176.746 176.300 0.059 0.000 1.174 881 D CA 0.306 54.358 54.000 0.086 0.000 0.866 881 D CB 1.344 42.205 40.800 0.100 0.000 1.127 881 D HN 0.761 nan 8.370 nan 0.000 0.467 882 T N -0.310 114.276 114.554 0.053 0.000 3.215 882 T HA 0.082 4.318 4.350 -0.190 0.000 0.271 882 T C 1.368 176.066 174.700 -0.004 0.000 1.012 882 T CA 0.168 62.280 62.100 0.019 0.000 0.899 882 T CB -0.320 68.561 68.868 0.021 0.000 1.089 882 T HN 0.220 nan 8.240 nan 0.000 0.552 883 S N 0.437 116.151 115.700 0.025 0.000 2.461 883 S HA 0.408 4.764 4.470 -0.190 0.000 0.228 883 S C 2.050 176.639 174.600 -0.018 0.000 1.005 883 S CA 0.822 59.051 58.200 0.047 0.000 0.942 883 S CB -0.526 62.784 63.200 0.183 0.000 0.776 883 S HN 1.264 nan 8.310 nan 0.000 0.514 884 G N 0.166 108.914 108.800 -0.086 0.000 2.278 884 G HA2 -0.228 3.618 3.960 -0.190 0.000 0.210 884 G HA3 -0.228 3.618 3.960 -0.190 0.000 0.210 884 G C 0.328 175.008 174.900 -0.367 0.000 1.000 884 G CA 0.052 44.990 45.100 -0.269 0.000 0.635 884 G HN 0.544 nan 8.290 nan 0.000 0.495 885 Y N 2.396 122.699 120.300 0.005 0.000 2.496 885 Y HA 0.296 4.733 4.550 -0.189 0.000 0.313 885 Y C 1.325 177.236 175.900 0.018 0.000 1.184 885 Y CA -0.234 57.875 58.100 0.015 0.000 1.275 885 Y CB -0.380 38.092 38.460 0.019 0.000 1.103 885 Y HN 0.224 nan 8.280 nan 0.000 0.513 886 N N 1.032 119.777 118.700 0.075 0.000 2.730 886 N HA -0.221 4.405 4.740 -0.190 0.000 0.266 886 N C 0.439 175.997 175.510 0.080 0.000 0.949 886 N CA 0.723 53.809 53.050 0.059 0.000 0.829 886 N CB -0.410 38.092 38.487 0.026 0.000 0.916 886 N HN 0.455 nan 8.380 nan 0.000 0.558 887 A N 0.531 123.416 122.820 0.107 0.000 2.492 887 A HA 0.036 4.242 4.320 -0.190 0.000 0.236 887 A C 0.745 178.367 177.584 0.063 0.000 1.078 887 A CA 0.001 52.094 52.037 0.094 0.000 0.773 887 A CB 0.445 19.512 19.000 0.113 0.000 1.023 887 A HN 0.453 nan 8.150 nan 0.000 0.504 888 E N 0.749 120.979 120.200 0.049 0.000 2.167 888 E HA 0.451 4.687 4.350 -0.190 0.000 0.284 888 E C -1.430 175.182 176.600 0.020 0.000 1.016 888 E CA -0.381 56.036 56.400 0.028 0.000 0.817 888 E CB 0.730 30.442 29.700 0.021 0.000 1.080 888 E HN 0.328 nan 8.360 nan 0.000 0.397 889 V N 6.474 126.389 119.914 0.002 0.000 2.313 889 V HA 0.347 4.353 4.120 -0.190 0.000 0.278 889 V C -0.217 175.850 176.094 -0.044 0.000 1.017 889 V CA -0.609 61.676 62.300 -0.024 0.000 0.823 889 V CB 1.058 32.855 31.823 -0.043 0.000 1.010 889 V HN 0.638 nan 8.190 nan 0.000 0.443 890 R N 3.317 123.790 120.500 -0.044 0.000 2.265 890 R HA 0.610 4.836 4.340 -0.190 0.000 0.328 890 R C -0.770 175.488 176.300 -0.071 0.000 0.969 890 R CA -0.509 55.562 56.100 -0.048 0.000 0.832 890 R CB 2.217 32.499 30.300 -0.030 0.000 1.139 890 R HN 0.501 nan 8.270 nan 0.000 0.457 891 V N 3.600 123.464 119.914 -0.083 0.000 2.439 891 V HA 0.303 4.309 4.120 -0.190 0.000 0.282 891 V C -0.526 175.529 176.094 -0.065 0.000 1.039 891 V CA -0.132 62.106 62.300 -0.103 0.000 0.913 891 V CB 1.404 33.151 31.823 -0.128 0.000 0.983 891 V HN 0.766 nan 8.190 nan 0.000 0.460 892 E N 4.327 124.493 120.200 -0.056 0.000 2.317 892 E HA 0.677 4.913 4.350 -0.190 0.000 0.270 892 E C 0.276 176.859 176.600 -0.029 0.000 0.885 892 E CA -0.104 56.274 56.400 -0.036 0.000 0.760 892 E CB 2.025 31.709 29.700 -0.027 0.000 1.227 892 E HN 1.182 nan 8.360 nan 0.000 0.434 893 G N 2.964 111.752 108.800 -0.021 0.000 2.528 893 G HA2 -0.344 3.502 3.960 -0.190 0.000 0.262 893 G HA3 -0.344 3.502 3.960 -0.190 0.000 0.262 893 G C -0.206 174.684 174.900 -0.016 0.000 1.200 893 G CA 0.050 45.140 45.100 -0.016 0.000 0.951 893 G HN 0.682 nan 8.290 nan 0.000 0.566 894 N N 0.162 118.853 118.700 -0.015 0.000 2.868 894 N HA 0.424 5.050 4.740 -0.190 0.000 0.252 894 N C -0.595 174.906 175.510 -0.016 0.000 1.130 894 N CA -0.383 52.657 53.050 -0.015 0.000 1.026 894 N CB 0.229 38.705 38.487 -0.018 0.000 1.335 894 N HN 0.453 nan 8.380 nan 0.000 0.516 895 V N 3.074 122.983 119.914 -0.009 0.000 2.378 895 V HA 0.235 4.241 4.120 -0.190 0.000 0.288 895 V C -0.363 175.750 176.094 0.032 0.000 1.016 895 V CA -0.718 61.588 62.300 0.010 0.000 0.840 895 V CB 1.505 33.312 31.823 -0.027 0.000 0.994 895 V HN 0.550 nan 8.190 nan 0.000 0.431 896 Q N 4.736 124.570 119.800 0.057 0.000 2.290 896 Q HA 0.622 4.848 4.340 -0.190 0.000 0.259 896 Q C -1.019 175.069 176.000 0.147 0.000 0.941 896 Q CA -0.370 55.482 55.803 0.081 0.000 0.912 896 Q CB 2.233 31.012 28.738 0.069 0.000 1.244 896 Q HN 0.621 nan 8.270 nan 0.000 0.441 897 L N 2.396 123.702 121.223 0.139 0.000 2.312 897 L HA 0.344 4.570 4.340 -0.190 0.000 0.281 897 L C 0.152 177.132 176.870 0.185 0.000 1.070 897 L CA -0.514 54.437 54.840 0.184 0.000 0.805 897 L CB 0.964 43.108 42.059 0.143 0.000 1.174 897 L HN 0.651 nan 8.230 nan 0.000 0.434 898 N N 4.708 123.539 118.700 0.218 0.000 2.422 898 N HA 0.170 4.795 4.740 -0.190 0.000 0.264 898 N C -1.586 174.051 175.510 0.211 0.000 1.063 898 N CA -1.431 51.723 53.050 0.173 0.000 0.959 898 N CB 1.371 39.935 38.487 0.129 0.000 1.087 898 N HN 0.397 nan 8.380 nan 0.000 0.483 899 P HA -0.068 nan 4.420 nan 0.000 0.226 899 P C 0.179 177.655 177.300 0.294 0.000 1.153 899 P CA 0.921 64.159 63.100 0.230 0.000 0.777 899 P CB 0.013 31.798 31.700 0.142 0.000 0.794 900 I N -5.718 114.873 120.570 0.035 0.000 2.892 900 I HA 0.513 4.569 4.170 -0.190 0.000 0.306 900 I C -0.170 175.353 176.117 -0.990 0.000 1.078 900 I CA -1.863 59.287 61.300 -0.250 0.000 1.032 900 I CB 1.655 39.592 38.000 -0.106 0.000 1.229 900 I HN -0.346 nan 8.210 nan 0.000 0.435 901 F N 5.300 124.329 119.950 -1.535 0.000 2.637 901 F HA 0.120 4.536 4.527 -0.186 0.000 0.372 901 F C -1.443 173.942 175.800 -0.692 0.000 1.107 901 F CA -0.590 56.598 58.000 -1.353 0.000 1.325 901 F CB 0.583 39.202 39.000 -0.635 0.000 1.016 901 F HN 0.431 nan 8.300 nan 0.000 0.593 902 P HA 0.031 nan 4.420 nan 0.000 0.255 902 P C -0.074 176.774 177.300 -0.753 0.000 1.357 902 P CA 0.288 62.288 63.100 -1.832 0.000 0.839 902 P CB -0.583 30.168 31.700 -1.581 0.000 1.356 903 F N -0.548 119.251 119.950 -0.253 0.000 3.084 903 F HA -0.273 4.139 4.527 -0.193 0.000 0.286 903 F C 0.371 176.194 175.800 0.039 0.000 0.855 903 F CA 0.592 58.564 58.000 -0.046 0.000 1.091 903 F CB -2.818 36.173 39.000 -0.015 0.000 1.177 903 F HN 0.160 nan 8.300 nan 0.000 0.542 904 D N 1.264 121.736 120.400 0.121 0.000 2.400 904 D HA 0.351 4.877 4.640 -0.190 0.000 0.238 904 D C 0.039 176.528 176.300 0.315 0.000 1.157 904 D CA -0.222 53.919 54.000 0.236 0.000 0.889 904 D CB 0.456 41.505 40.800 0.414 0.000 1.199 904 D HN 0.216 nan 8.370 nan 0.000 0.436 905 F N -1.630 118.447 119.950 0.212 0.000 2.469 905 F HA 0.516 4.921 4.527 -0.203 0.000 0.332 905 F C -0.122 175.711 175.800 0.054 0.000 1.103 905 F CA -1.452 56.611 58.000 0.103 0.000 0.979 905 F CB 1.306 40.308 39.000 0.003 0.000 1.137 905 F HN 0.296 nan 8.300 nan 0.000 0.463 906 K N 3.927 124.389 120.400 0.102 0.000 2.206 906 K HA 0.626 4.831 4.320 -0.190 0.000 0.264 906 K C -1.734 174.763 176.600 -0.171 0.000 0.967 906 K CA -0.598 55.519 56.287 -0.285 0.000 0.844 906 K CB 1.211 33.462 32.500 -0.417 0.000 1.099 906 K HN 0.772 nan 8.250 nan 0.000 0.441 907 L N 1.594 122.650 121.223 -0.279 0.000 2.271 907 L HA 0.747 4.973 4.340 -0.190 0.000 0.265 907 L C 0.039 176.750 176.870 -0.266 0.000 1.013 907 L CA -0.355 54.392 54.840 -0.155 0.000 0.820 907 L CB 2.097 44.132 42.059 -0.041 0.000 1.352 907 L HN 0.862 nan 8.230 nan 0.000 0.443 908 G N -1.626 107.069 108.800 -0.175 0.000 2.720 908 G HA2 0.428 4.274 3.960 -0.190 0.000 0.295 908 G HA3 0.428 4.274 3.960 -0.190 0.000 0.295 908 G C -0.438 174.390 174.900 -0.121 0.000 1.437 908 G CA 0.186 45.174 45.100 -0.187 0.000 0.886 908 G HN 0.569 nan 8.290 nan 0.000 0.509 909 S N 0.302 115.925 115.700 -0.129 0.000 2.701 909 S HA 0.149 4.505 4.470 -0.190 0.000 0.220 909 S C 1.957 176.556 174.600 -0.002 0.000 0.954 909 S CA 0.849 59.022 58.200 -0.044 0.000 0.936 909 S CB -0.153 63.018 63.200 -0.048 0.000 0.777 909 S HN 1.301 nan 8.310 nan 0.000 0.518 910 S N 1.831 117.512 115.700 -0.032 0.000 1.974 910 S HA -0.062 4.294 4.470 -0.190 0.000 0.536 910 S C 1.174 175.777 174.600 0.005 0.000 0.915 910 S CA 1.855 60.044 58.200 -0.018 0.000 3.377 910 S CB -1.241 61.943 63.200 -0.026 0.000 2.349 910 S HN 1.006 nan 8.310 nan 0.000 0.534 911 G N -0.575 108.228 108.800 0.005 0.000 3.433 911 G HA2 0.314 4.160 3.960 -0.190 0.000 0.173 911 G HA3 0.314 4.160 3.960 -0.190 0.000 0.173 911 G C 0.205 175.110 174.900 0.009 0.000 1.196 911 G CA 0.784 45.891 45.100 0.011 0.000 1.062 911 G HN 0.604 nan 8.290 nan 0.000 0.699 912 D N 0.663 121.066 120.400 0.006 0.000 2.077 912 D HA -0.088 4.438 4.640 -0.190 0.000 0.196 912 D C 0.305 176.606 176.300 0.000 0.000 0.986 912 D CA 1.105 55.107 54.000 0.003 0.000 0.829 912 D CB -0.195 40.606 40.800 0.002 0.000 0.983 912 D HN 0.204 nan 8.370 nan 0.000 0.453 913 D N 0.842 121.241 120.400 -0.001 0.000 3.057 913 D HA 0.083 4.609 4.640 -0.190 0.000 0.246 913 D C -0.127 176.168 176.300 -0.007 0.000 1.238 913 D CA -0.402 53.596 54.000 -0.004 0.000 0.949 913 D CB -0.145 40.653 40.800 -0.005 0.000 1.086 913 D HN 0.210 nan 8.370 nan 0.000 0.487 914 R N -0.611 119.886 120.500 -0.006 0.000 2.594 914 R HA 0.521 4.747 4.340 -0.190 0.000 0.272 914 R C 0.774 177.067 176.300 -0.012 0.000 1.074 914 R CA -0.697 55.396 56.100 -0.012 0.000 1.105 914 R CB 0.526 30.823 30.300 -0.006 0.000 1.008 914 R HN 0.046 nan 8.270 nan 0.000 0.472 915 G N 1.282 110.071 108.800 -0.019 0.000 2.474 915 G HA2 0.048 3.894 3.960 -0.190 0.000 0.233 915 G HA3 0.048 3.894 3.960 -0.190 0.000 0.233 915 G C -0.672 174.230 174.900 0.003 0.000 1.278 915 G CA -0.323 44.770 45.100 -0.011 0.000 0.861 915 G HN 0.638 nan 8.290 nan 0.000 0.567 916 K N 1.368 121.765 120.400 -0.005 0.000 2.690 916 K HA 0.338 4.544 4.320 -0.190 0.000 0.264 916 K C -1.359 175.227 176.600 -0.022 0.000 1.040 916 K CA -0.604 55.687 56.287 0.006 0.000 0.946 916 K CB 1.664 34.162 32.500 -0.002 0.000 1.268 916 K HN 0.303 nan 8.250 nan 0.000 0.473 917 V N 6.282 126.191 119.914 -0.009 0.000 2.364 917 V HA 0.403 4.409 4.120 -0.190 0.000 0.272 917 V C 0.058 176.174 176.094 0.038 0.000 1.036 917 V CA -0.543 61.699 62.300 -0.097 0.000 0.880 917 V CB 0.937 32.528 31.823 -0.388 0.000 0.991 917 V HN 0.615 nan 8.190 nan 0.000 0.460 918 I N 5.529 126.093 120.570 -0.009 0.000 2.339 918 I HA 0.419 4.475 4.170 -0.190 0.000 0.290 918 I C -0.478 175.651 176.117 0.020 0.000 0.994 918 I CA -0.669 60.640 61.300 0.015 0.000 1.191 918 I CB 1.818 39.812 38.000 -0.011 0.000 1.343 918 I HN 0.256 nan 8.210 nan 0.000 0.458 919 V N 5.256 125.204 119.914 0.057 0.000 2.313 919 V HA 0.284 4.290 4.120 -0.190 0.000 0.278 919 V C 0.090 176.214 176.094 0.049 0.000 1.017 919 V CA -0.407 61.935 62.300 0.070 0.000 0.823 919 V CB 1.253 33.167 31.823 0.153 0.000 1.010 919 V HN 0.723 nan 8.190 nan 0.000 0.443 920 T N 6.266 120.841 114.554 0.036 0.000 2.767 920 T HA 0.479 4.715 4.350 -0.190 0.000 0.284 920 T C 0.066 174.795 174.700 0.049 0.000 0.973 920 T CA -0.489 61.628 62.100 0.029 0.000 0.996 920 T CB 1.246 70.124 68.868 0.016 0.000 0.927 920 T HN 0.834 nan 8.240 nan 0.000 0.456 921 Q N 2.978 122.811 119.800 0.055 0.000 2.934 921 Q HA 0.447 4.673 4.340 -0.190 0.000 0.219 921 Q C -0.530 175.507 176.000 0.063 0.000 1.024 921 Q CA -1.081 54.763 55.803 0.068 0.000 0.928 921 Q CB 0.801 29.584 28.738 0.075 0.000 1.594 921 Q HN 0.403 nan 8.270 nan 0.000 0.485 922 N N 0.963 119.705 118.700 0.070 0.000 2.414 922 N HA -0.013 4.613 4.740 -0.190 0.000 0.256 922 N C 0.631 176.183 175.510 0.070 0.000 1.029 922 N CA 0.222 53.314 53.050 0.070 0.000 0.948 922 N CB 1.129 39.672 38.487 0.094 0.000 1.102 922 N HN 0.775 nan 8.380 nan 0.000 0.496 923 E N 3.555 123.797 120.200 0.070 0.000 2.086 923 E HA -0.296 3.940 4.350 -0.190 0.000 0.200 923 E C 0.596 177.272 176.600 0.127 0.000 1.012 923 E CA 1.196 57.654 56.400 0.095 0.000 0.812 923 E CB -0.168 29.567 29.700 0.059 0.000 0.743 923 E HN 0.535 nan 8.360 nan 0.000 0.453 924 N N 0.923 119.670 118.700 0.080 0.000 2.104 924 N HA -0.139 4.487 4.740 -0.190 0.000 0.190 924 N C 1.970 177.565 175.510 0.141 0.000 1.024 924 N CA 1.416 54.522 53.050 0.092 0.000 0.853 924 N CB -0.178 38.343 38.487 0.057 0.000 1.008 924 N HN 0.253 nan 8.380 nan 0.000 0.424 925 I N 1.179 121.797 120.570 0.080 0.000 2.142 925 I HA -0.178 3.878 4.170 -0.190 0.000 0.240 925 I C 2.453 178.590 176.117 0.034 0.000 1.078 925 I CA 0.766 62.067 61.300 0.002 0.000 1.343 925 I CB -1.277 36.648 38.000 -0.125 0.000 1.046 925 I HN -0.117 nan 8.210 nan 0.000 0.405 926 V N 0.470 120.425 119.914 0.069 0.000 2.219 926 V HA -0.361 3.645 4.120 -0.190 0.000 0.248 926 V C 2.391 178.602 176.094 0.195 0.000 1.053 926 V CA 2.147 64.492 62.300 0.075 0.000 1.009 926 V CB -0.956 30.940 31.823 0.121 0.000 0.636 926 V HN 0.296 nan 8.190 nan 0.000 0.445 927 Y N 1.709 122.126 120.300 0.195 0.000 2.030 927 Y HA -0.300 4.134 4.550 -0.194 0.000 0.272 927 Y C 1.755 177.823 175.900 0.280 0.000 1.185 927 Y CA 2.331 60.613 58.100 0.303 0.000 1.120 927 Y CB -0.446 38.109 38.460 0.159 0.000 0.955 927 Y HN 0.350 nan 8.280 nan 0.000 0.495 928 N N -0.066 118.823 118.700 0.315 0.000 3.111 928 N HA 0.345 4.971 4.740 -0.190 0.000 0.302 928 N C 0.022 175.603 175.510 0.118 0.000 1.317 928 N CA 0.600 53.766 53.050 0.194 0.000 1.151 928 N CB 0.350 38.944 38.487 0.179 0.000 1.456 928 N HN 0.484 nan 8.380 nan 0.000 0.547 929 A N -0.585 122.302 122.820 0.112 0.000 1.838 929 A HA 0.044 4.249 4.320 -0.190 0.000 0.193 929 A C 1.373 178.981 177.584 0.040 0.000 1.607 929 A CA -0.110 51.961 52.037 0.057 0.000 1.618 929 A CB -0.122 18.870 19.000 -0.013 0.000 1.539 929 A HN 0.114 nan 8.150 nan 0.000 0.618 930 M N 0.071 119.575 119.600 -0.160 0.000 2.202 930 M HA -0.105 4.261 4.480 -0.190 0.000 0.262 930 M C 1.677 177.857 176.300 -0.200 0.000 1.063 930 M CA 1.581 56.575 55.300 -0.510 0.000 1.097 930 M CB -1.455 30.453 32.600 -1.154 0.000 1.382 930 M HN 0.583 nan 8.290 nan 0.000 0.413 931 Y N 0.222 120.622 120.300 0.166 0.000 2.583 931 Y HA -0.033 4.405 4.550 -0.187 0.000 0.293 931 Y C 2.078 178.082 175.900 0.172 0.000 1.157 931 Y CA 0.534 58.776 58.100 0.237 0.000 1.315 931 Y CB -0.251 38.258 38.460 0.081 0.000 1.021 931 Y HN 0.388 nan 8.280 nan 0.000 0.536 932 E N -1.178 119.161 120.200 0.232 0.000 2.357 932 E HA 0.243 4.479 4.350 -0.190 0.000 0.190 932 E C -0.011 176.657 176.600 0.112 0.000 1.022 932 E CA 0.222 56.716 56.400 0.157 0.000 1.068 932 E CB 0.404 30.177 29.700 0.122 0.000 1.465 932 E HN -0.097 nan 8.360 nan 0.000 0.503 933 S N -0.158 115.607 115.700 0.110 0.000 2.541 933 S HA 0.603 4.959 4.470 -0.190 0.000 0.271 933 S C -1.487 173.177 174.600 0.106 0.000 1.133 933 S CA -0.782 57.422 58.200 0.006 0.000 0.876 933 S CB 1.391 64.577 63.200 -0.022 0.000 1.105 933 S HN 0.338 nan 8.310 nan 0.000 0.470 934 F N -1.111 118.789 119.950 -0.082 0.000 2.770 934 F HA 0.848 5.263 4.527 -0.186 0.000 0.313 934 F C -1.053 174.676 175.800 -0.118 0.000 1.154 934 F CA -0.730 57.214 58.000 -0.093 0.000 0.923 934 F CB 0.793 39.698 39.000 -0.158 0.000 1.301 934 F HN 0.386 nan 8.300 nan 0.000 0.449 935 S N 1.497 117.296 115.700 0.165 0.000 2.549 935 S HA 0.833 5.189 4.470 -0.190 0.000 0.280 935 S C -1.152 173.504 174.600 0.094 0.000 1.109 935 S CA -0.732 57.484 58.200 0.025 0.000 0.905 935 S CB 1.906 65.117 63.200 0.018 0.000 1.081 935 S HN 0.632 nan 8.310 nan 0.000 0.477 936 I N 2.309 122.826 120.570 -0.088 0.000 2.465 936 I HA 0.612 4.667 4.170 -0.190 0.000 0.291 936 I C -0.250 175.752 176.117 -0.192 0.000 1.014 936 I CA -0.464 60.739 61.300 -0.162 0.000 1.093 936 I CB 2.091 39.950 38.000 -0.236 0.000 1.267 936 I HN 0.692 nan 8.210 nan 0.000 0.431 937 S N 5.704 121.305 115.700 -0.164 0.000 2.546 937 S HA 0.932 5.288 4.470 -0.190 0.000 0.274 937 S C -0.878 173.645 174.600 -0.129 0.000 1.121 937 S CA -0.628 57.361 58.200 -0.350 0.000 0.887 937 S CB 2.290 65.444 63.200 -0.078 0.000 1.094 937 S HN 0.696 nan 8.310 nan 0.000 0.474 938 F N -2.784 116.958 119.950 -0.348 0.000 2.843 938 F HA 0.651 5.077 4.527 -0.167 0.000 0.323 938 F C -2.452 173.374 175.800 0.043 0.000 1.142 938 F CA -1.729 56.278 58.000 0.013 0.000 0.925 938 F CB 0.078 39.240 39.000 0.270 0.000 1.277 938 F HN 0.655 nan 8.300 nan 0.000 0.446 939 W N 3.619 125.203 121.300 0.472 0.000 2.361 939 W HA 0.755 5.299 4.660 -0.193 0.000 0.309 939 W C -0.526 176.367 176.519 0.623 0.000 1.122 939 W CA -0.641 56.966 57.345 0.435 0.000 1.208 939 W CB 1.709 31.298 29.460 0.215 0.000 1.246 939 W HN 0.704 nan 8.180 nan 0.000 0.490 940 I N 3.656 124.550 120.570 0.539 0.000 2.730 940 I HA 0.598 4.654 4.170 -0.190 0.000 0.298 940 I C -1.025 175.095 176.117 0.004 0.000 1.089 940 I CA -1.272 60.182 61.300 0.257 0.000 1.041 940 I CB 1.765 39.825 38.000 0.100 0.000 1.235 940 I HN 0.435 nan 8.210 nan 0.000 0.423 941 R N 7.443 127.818 120.500 -0.208 0.000 2.533 941 R HA 0.609 4.835 4.340 -0.190 0.000 0.288 941 R C -2.132 174.251 176.300 0.138 0.000 1.039 941 R CA -0.581 55.383 56.100 -0.227 0.000 0.909 941 R CB 1.651 31.171 30.300 -1.301 0.000 1.195 941 R HN 0.665 nan 8.270 nan 0.000 0.438 942 I N 3.273 124.000 120.570 0.261 0.000 2.389 942 I HA 0.265 4.321 4.170 -0.190 0.000 0.288 942 I C -0.530 175.729 176.117 0.237 0.000 0.999 942 I CA -0.956 60.465 61.300 0.200 0.000 1.129 942 I CB 1.911 39.952 38.000 0.067 0.000 1.288 942 I HN 0.479 nan 8.210 nan 0.000 0.444 943 N N 5.778 124.631 118.700 0.256 0.000 2.425 943 N HA 0.293 4.918 4.740 -0.190 0.000 0.268 943 N C -0.503 175.062 175.510 0.092 0.000 0.991 943 N CA -0.200 52.944 53.050 0.157 0.000 0.931 943 N CB 0.592 39.242 38.487 0.272 0.000 1.130 943 N HN 0.362 nan 8.380 nan 0.000 0.493 944 K N 2.037 122.486 120.400 0.083 0.000 3.239 944 K HA -0.117 4.089 4.320 -0.190 0.000 0.266 944 K C -1.534 175.208 176.600 0.237 0.000 1.217 944 K CA 0.090 56.447 56.287 0.117 0.000 0.797 944 K CB -1.712 30.841 32.500 0.090 0.000 1.377 944 K HN 0.615 nan 8.250 nan 0.000 0.518 945 W N 2.615 123.948 121.300 0.056 0.000 2.081 945 W HA 0.409 4.964 4.660 -0.174 0.000 0.433 945 W C 0.061 176.702 176.519 0.203 0.000 0.876 945 W CA -1.012 56.416 57.345 0.137 0.000 1.631 945 W CB -0.501 29.052 29.460 0.156 0.000 1.757 945 W HN 0.130 nan 8.180 nan 0.000 0.298 946 V N 3.075 123.239 119.914 0.418 0.000 2.834 946 V HA 0.303 4.309 4.120 -0.190 0.000 0.301 946 V C 1.382 177.635 176.094 0.264 0.000 1.066 946 V CA 0.275 62.741 62.300 0.277 0.000 1.052 946 V CB 1.161 33.105 31.823 0.202 0.000 1.021 946 V HN 0.483 nan 8.190 nan 0.000 0.480 947 S N 1.836 117.628 115.700 0.154 0.000 2.440 947 S HA -0.224 4.132 4.470 -0.190 0.000 0.238 947 S C 1.055 175.691 174.600 0.060 0.000 1.010 947 S CA 1.502 59.705 58.200 0.004 0.000 0.972 947 S CB -1.170 61.992 63.200 -0.064 0.000 0.774 947 S HN 1.134 nan 8.310 nan 0.000 0.501 948 N N 0.232 118.999 118.700 0.110 0.000 2.380 948 N HA 0.332 4.958 4.740 -0.190 0.000 0.255 948 N C -0.252 175.354 175.510 0.159 0.000 1.158 948 N CA -0.647 52.471 53.050 0.113 0.000 0.878 948 N CB 0.047 38.583 38.487 0.081 0.000 1.138 948 N HN 0.255 nan 8.380 nan 0.000 0.509 949 L N 1.699 123.064 121.223 0.237 0.000 2.453 949 L HA 0.359 4.585 4.340 -0.190 0.000 0.272 949 L C -2.195 174.822 176.870 0.245 0.000 1.182 949 L CA -1.768 53.244 54.840 0.287 0.000 0.858 949 L CB 0.215 42.531 42.059 0.428 0.000 1.120 949 L HN 0.168 nan 8.230 nan 0.000 0.474 950 P HA 0.173 nan 4.420 nan 0.000 0.275 950 P C -0.456 176.891 177.300 0.078 0.000 1.266 950 P CA -0.481 62.673 63.100 0.090 0.000 0.793 950 P CB 0.347 32.047 31.700 0.000 0.000 1.074 951 G N -0.290 108.483 108.800 -0.045 0.000 2.441 951 G HA2 0.339 4.185 3.960 -0.190 0.000 0.243 951 G HA3 0.339 4.185 3.960 -0.190 0.000 0.243 951 G C -1.437 173.334 174.900 -0.214 0.000 1.281 951 G CA 0.170 45.245 45.100 -0.042 0.000 0.854 951 G HN 0.383 nan 8.290 nan 0.000 0.560 952 Y N -0.693 119.620 120.300 0.021 0.000 2.482 952 Y HA 0.348 4.776 4.550 -0.204 0.000 0.334 952 Y C 0.322 176.222 175.900 0.000 0.000 1.091 952 Y CA -0.659 57.441 58.100 0.001 0.000 1.027 952 Y CB 2.431 40.882 38.460 -0.016 0.000 1.306 952 Y HN 0.544 nan 8.280 nan 0.000 0.446 953 T N 4.970 119.624 114.554 0.165 0.000 2.795 953 T HA 0.415 4.651 4.350 -0.190 0.000 0.282 953 T C 1.093 175.843 174.700 0.083 0.000 0.980 953 T CA -0.358 61.796 62.100 0.090 0.000 1.012 953 T CB 0.416 69.302 68.868 0.029 0.000 0.936 953 T HN 0.676 nan 8.240 nan 0.000 0.457 954 I N 0.537 121.137 120.570 0.049 0.000 3.443 954 I HA 0.509 4.565 4.170 -0.190 0.000 0.277 954 I C 0.025 176.098 176.117 -0.073 0.000 1.169 954 I CA 0.081 61.387 61.300 0.010 0.000 1.419 954 I CB 0.460 38.467 38.000 0.012 0.000 1.331 954 I HN 0.347 nan 8.210 nan 0.000 0.458 955 I N 2.364 122.871 120.570 -0.105 0.000 2.411 955 I HA 0.401 4.457 4.170 -0.190 0.000 0.284 955 I C -1.573 174.429 176.117 -0.193 0.000 1.012 955 I CA -0.300 60.798 61.300 -0.337 0.000 1.119 955 I CB 1.610 39.423 38.000 -0.313 0.000 1.261 955 I HN 0.134 nan 8.210 nan 0.000 0.448 956 D N 3.551 123.731 120.400 -0.366 0.000 2.498 956 D HA 0.407 4.933 4.640 -0.190 0.000 0.247 956 D C -0.515 175.407 176.300 -0.631 0.000 1.070 956 D CA -0.232 53.537 54.000 -0.385 0.000 0.842 956 D CB 2.002 42.662 40.800 -0.233 0.000 1.361 956 D HN 0.285 nan 8.370 nan 0.000 0.484 957 S N 2.966 118.133 115.700 -0.888 0.000 2.526 957 S HA 0.353 4.709 4.470 -0.190 0.000 0.220 957 S C -1.468 172.779 174.600 -0.588 0.000 1.159 957 S CA -0.471 57.163 58.200 -0.943 0.000 1.196 957 S CB -0.068 62.047 63.200 -1.809 0.000 1.225 957 S HN 0.275 nan 8.310 nan 0.000 0.432 958 V N 2.753 122.456 119.914 -0.351 0.000 2.495 958 V HA 0.552 4.558 4.120 -0.190 0.000 0.298 958 V C 0.596 176.599 176.094 -0.151 0.000 1.031 958 V CA -0.587 61.588 62.300 -0.208 0.000 0.871 958 V CB 1.991 33.721 31.823 -0.155 0.000 0.988 958 V HN 0.423 nan 8.190 nan 0.000 0.432 959 K N 3.224 123.558 120.400 -0.109 0.000 2.266 959 K HA 0.287 4.493 4.320 -0.190 0.000 0.209 959 K C 0.587 177.151 176.600 -0.060 0.000 1.065 959 K CA 0.918 57.158 56.287 -0.078 0.000 0.946 959 K CB 0.436 32.902 32.500 -0.056 0.000 1.069 959 K HN 0.551 nan 8.250 nan 0.000 0.472 960 N N 2.140 120.807 118.700 -0.054 0.000 2.818 960 N HA 0.171 4.797 4.740 -0.190 0.000 0.301 960 N C -1.144 174.337 175.510 -0.048 0.000 1.821 960 N CA -0.077 52.947 53.050 -0.044 0.000 0.930 960 N CB 0.857 39.324 38.487 -0.032 0.000 1.263 960 N HN 0.219 nan 8.380 nan 0.000 0.487 961 N N -0.373 118.294 118.700 -0.055 0.000 2.782 961 N HA -0.175 4.451 4.740 -0.190 0.000 0.251 961 N C -0.726 174.746 175.510 -0.063 0.000 1.101 961 N CA 0.910 53.927 53.050 -0.054 0.000 0.764 961 N CB -0.976 37.485 38.487 -0.043 0.000 1.122 961 N HN 0.342 nan 8.380 nan 0.000 0.561 962 S N -1.706 113.948 115.700 -0.077 0.000 2.546 962 S HA 0.818 5.174 4.470 -0.190 0.000 0.274 962 S C 0.285 174.814 174.600 -0.118 0.000 1.121 962 S CA 0.473 58.612 58.200 -0.102 0.000 0.887 962 S CB 2.079 65.214 63.200 -0.109 0.000 1.094 962 S HN 0.875 nan 8.310 nan 0.000 0.474 963 G N 2.668 111.391 108.800 -0.128 0.000 2.247 963 G HA2 0.122 3.968 3.960 -0.190 0.000 0.229 963 G HA3 0.122 3.968 3.960 -0.190 0.000 0.229 963 G C -1.698 173.301 174.900 0.164 0.000 1.345 963 G CA -0.156 44.928 45.100 -0.026 0.000 1.100 963 G HN 1.134 nan 8.290 nan 0.000 0.473 964 W N -0.236 121.146 121.300 0.137 0.000 2.962 964 W HA 0.842 5.453 4.660 -0.082 0.000 0.341 964 W C -0.559 175.934 176.519 -0.044 0.000 1.155 964 W CA -0.569 56.783 57.345 0.012 0.000 1.165 964 W CB 1.449 30.986 29.460 0.127 0.000 1.435 964 W HN 1.311 nan 8.180 nan 0.000 0.546 965 S N 1.467 117.338 115.700 0.284 0.000 2.556 965 S HA 0.761 5.116 4.470 -0.190 0.000 0.271 965 S C -1.598 173.193 174.600 0.318 0.000 1.135 965 S CA -0.690 57.645 58.200 0.226 0.000 0.858 965 S CB 1.628 64.842 63.200 0.023 0.000 1.114 965 S HN 0.463 nan 8.310 nan 0.000 0.468 966 I N 2.591 123.371 120.570 0.351 0.000 2.498 966 I HA 0.684 4.740 4.170 -0.190 0.000 0.290 966 I C 0.475 176.724 176.117 0.220 0.000 1.032 966 I CA -0.521 60.993 61.300 0.357 0.000 1.073 966 I CB 2.032 40.313 38.000 0.469 0.000 1.251 966 I HN 0.808 nan 8.210 nan 0.000 0.426 967 G N 6.110 115.035 108.800 0.208 0.000 2.687 967 G HA2 0.801 4.647 3.960 -0.190 0.000 0.291 967 G HA3 0.801 4.647 3.960 -0.190 0.000 0.291 967 G C -1.441 173.561 174.900 0.170 0.000 1.420 967 G CA -0.608 44.587 45.100 0.158 0.000 0.796 967 G HN 0.642 nan 8.290 nan 0.000 0.485 968 I N -2.128 118.529 120.570 0.146 0.000 2.828 968 I HA 0.901 4.957 4.170 -0.190 0.000 0.302 968 I C -1.361 174.894 176.117 0.229 0.000 1.101 968 I CA -1.314 60.078 61.300 0.154 0.000 1.031 968 I CB 2.590 40.524 38.000 -0.111 0.000 1.231 968 I HN 0.632 nan 8.210 nan 0.000 0.427 969 I N 3.272 124.041 120.570 0.331 0.000 2.731 969 I HA 0.384 4.440 4.170 -0.190 0.000 0.289 969 I C 0.318 176.693 176.117 0.430 0.000 1.399 969 I CA 0.191 61.673 61.300 0.303 0.000 1.048 969 I CB 1.961 40.061 38.000 0.167 0.000 1.345 969 I HN 1.058 nan 8.210 nan 0.000 0.425 970 S N 4.322 120.241 115.700 0.365 0.000 4.054 970 S HA -0.358 3.998 4.470 -0.190 0.000 0.618 970 S C 0.482 175.301 174.600 0.365 0.000 2.026 970 S CA 1.693 60.081 58.200 0.314 0.000 4.205 970 S CB -0.856 62.518 63.200 0.289 0.000 0.233 970 S HN 1.053 nan 8.310 nan 0.000 0.612 971 N N 1.077 119.763 118.700 -0.023 0.000 2.376 971 N HA 0.488 5.114 4.740 -0.190 0.000 0.249 971 N C -0.805 174.341 175.510 -0.607 0.000 1.140 971 N CA -0.215 52.436 53.050 -0.664 0.000 0.870 971 N CB -0.026 37.497 38.487 -1.608 0.000 1.124 971 N HN 0.288 nan 8.380 nan 0.000 0.505 972 F N 0.450 120.520 119.950 0.201 0.000 2.495 972 F HA 0.465 4.876 4.527 -0.193 0.000 0.327 972 F C -0.368 175.695 175.800 0.439 0.000 1.103 972 F CA -1.297 56.827 58.000 0.207 0.000 0.949 972 F CB 1.736 40.793 39.000 0.094 0.000 1.142 972 F HN -0.047 nan 8.300 nan 0.000 0.457 973 L N 4.944 126.534 121.223 0.611 0.000 2.305 973 L HA 0.822 5.048 4.340 -0.190 0.000 0.284 973 L C -1.228 175.915 176.870 0.455 0.000 1.013 973 L CA -0.621 54.535 54.840 0.526 0.000 0.819 973 L CB 1.380 43.841 42.059 0.670 0.000 1.227 973 L HN 0.492 nan 8.230 nan 0.000 0.417 974 V N 5.401 125.533 119.914 0.363 0.000 2.656 974 V HA 0.589 4.595 4.120 -0.190 0.000 0.307 974 V C -1.552 174.742 176.094 0.332 0.000 1.051 974 V CA -0.598 61.892 62.300 0.317 0.000 0.893 974 V CB 1.798 33.747 31.823 0.210 0.000 0.999 974 V HN 0.701 nan 8.190 nan 0.000 0.426 975 F N 5.115 125.177 119.950 0.187 0.000 2.388 975 F HA 0.764 5.176 4.527 -0.192 0.000 0.358 975 F C 0.049 175.951 175.800 0.171 0.000 1.122 975 F CA 0.026 58.138 58.000 0.187 0.000 1.056 975 F CB 1.516 40.599 39.000 0.139 0.000 1.155 975 F HN 0.631 nan 8.300 nan 0.000 0.461 976 T N 7.365 121.670 114.554 -0.415 0.000 2.823 976 T HA 0.445 4.681 4.350 -0.190 0.000 0.279 976 T C -1.043 173.384 174.700 -0.456 0.000 0.998 976 T CA -0.516 61.396 62.100 -0.314 0.000 0.994 976 T CB 1.517 70.323 68.868 -0.103 0.000 0.960 976 T HN 0.421 nan 8.240 nan 0.000 0.448 977 L N 3.552 124.638 121.223 -0.228 0.000 2.283 977 L HA 0.419 4.645 4.340 -0.190 0.000 0.281 977 L C 0.135 177.009 176.870 0.007 0.000 1.033 977 L CA -0.251 54.577 54.840 -0.021 0.000 0.848 977 L CB 0.661 42.789 42.059 0.116 0.000 1.226 977 L HN 0.495 nan 8.230 nan 0.000 0.429 978 K N 3.168 123.571 120.400 0.006 0.000 2.268 978 K HA 0.197 4.403 4.320 -0.190 0.000 0.276 978 K C 0.947 177.514 176.600 -0.054 0.000 1.080 978 K CA -0.240 56.031 56.287 -0.027 0.000 0.910 978 K CB 0.838 33.315 32.500 -0.040 0.000 1.163 978 K HN 0.746 nan 8.250 nan 0.000 0.465 979 Q N 2.438 122.210 119.800 -0.046 0.000 2.212 979 Q HA -0.064 4.162 4.340 -0.190 0.000 0.199 979 Q C -0.295 175.670 176.000 -0.059 0.000 0.950 979 Q CA 0.881 56.647 55.803 -0.063 0.000 0.863 979 Q CB -0.034 28.684 28.738 -0.034 0.000 0.944 979 Q HN 0.656 nan 8.270 nan 0.000 0.465 980 N N -0.827 117.846 118.700 -0.044 0.000 3.378 980 N HA -0.031 4.595 4.740 -0.190 0.000 0.294 980 N C -0.401 175.088 175.510 -0.035 0.000 1.544 980 N CA -0.267 52.759 53.050 -0.040 0.000 0.872 980 N CB 0.121 38.590 38.487 -0.031 0.000 1.670 980 N HN 0.037 nan 8.380 nan 0.000 0.551 981 E N -0.533 119.647 120.200 -0.032 0.000 2.511 981 E HA -0.101 4.135 4.350 -0.190 0.000 0.196 981 E C -0.281 176.304 176.600 -0.026 0.000 1.066 981 E CA 0.899 57.280 56.400 -0.030 0.000 0.871 981 E CB -0.424 29.258 29.700 -0.029 0.000 0.863 981 E HN 0.737 nan 8.360 nan 0.000 0.520 982 N N 0.066 118.752 118.700 -0.024 0.000 2.332 982 N HA -0.008 4.618 4.740 -0.190 0.000 0.190 982 N C -0.575 174.924 175.510 -0.018 0.000 1.117 982 N CA 0.414 53.452 53.050 -0.020 0.000 0.883 982 N CB 0.618 39.095 38.487 -0.017 0.000 1.089 982 N HN 0.138 nan 8.380 nan 0.000 0.480 983 S N 0.185 115.874 115.700 -0.019 0.000 2.536 983 S HA 0.428 4.784 4.470 -0.190 0.000 0.271 983 S C -1.188 173.402 174.600 -0.015 0.000 1.134 983 S CA -0.896 57.295 58.200 -0.015 0.000 0.897 983 S CB 2.319 65.513 63.200 -0.010 0.000 1.094 983 S HN 0.315 nan 8.310 nan 0.000 0.473 984 E N 1.319 121.512 120.200 -0.011 0.000 2.445 984 E HA 0.537 4.773 4.350 -0.190 0.000 0.279 984 E C -1.657 174.944 176.600 0.001 0.000 1.018 984 E CA -0.982 55.412 56.400 -0.009 0.000 0.816 984 E CB 1.681 31.369 29.700 -0.020 0.000 1.356 984 E HN 0.702 nan 8.360 nan 0.000 0.462 985 Q N 0.943 120.749 119.800 0.011 0.000 2.372 985 Q HA 0.401 4.627 4.340 -0.190 0.000 0.273 985 Q C -1.984 174.034 176.000 0.030 0.000 1.078 985 Q CA -0.567 55.251 55.803 0.026 0.000 0.806 985 Q CB 1.831 30.598 28.738 0.047 0.000 1.332 985 Q HN 0.629 nan 8.270 nan 0.000 0.435 986 D N 2.685 123.112 120.400 0.044 0.000 2.570 986 D HA 0.531 5.057 4.640 -0.190 0.000 0.244 986 D C -1.173 175.197 176.300 0.118 0.000 1.178 986 D CA -0.552 53.492 54.000 0.073 0.000 0.881 986 D CB 1.382 42.206 40.800 0.040 0.000 1.453 986 D HN 0.601 nan 8.370 nan 0.000 0.447 987 I N 0.179 120.867 120.570 0.198 0.000 2.892 987 I HA 0.565 4.621 4.170 -0.190 0.000 0.306 987 I C -1.592 174.660 176.117 0.224 0.000 1.078 987 I CA -0.652 60.759 61.300 0.185 0.000 1.032 987 I CB 1.711 39.822 38.000 0.186 0.000 1.229 987 I HN 0.707 nan 8.210 nan 0.000 0.435 988 N N 4.246 123.072 118.700 0.209 0.000 2.927 988 N HA 0.317 4.943 4.740 -0.190 0.000 0.248 988 N C -2.098 173.604 175.510 0.320 0.000 1.443 988 N CA -0.516 52.709 53.050 0.291 0.000 0.870 988 N CB 2.256 40.937 38.487 0.322 0.000 1.444 988 N HN 0.447 nan 8.380 nan 0.000 0.519 989 F N 1.129 121.201 119.950 0.203 0.000 2.520 989 F HA 0.652 5.063 4.527 -0.194 0.000 0.322 989 F C -1.133 174.690 175.800 0.038 0.000 1.103 989 F CA -0.540 57.524 58.000 0.105 0.000 0.926 989 F CB 1.738 40.800 39.000 0.103 0.000 1.154 989 F HN 0.578 nan 8.300 nan 0.000 0.453 990 S N 5.524 120.640 115.700 -0.973 0.000 2.756 990 S HA 0.426 4.782 4.470 -0.190 0.000 0.303 990 S C -1.068 172.716 174.600 -1.360 0.000 1.135 990 S CA -0.721 56.702 58.200 -1.296 0.000 1.066 990 S CB 0.237 62.692 63.200 -1.242 0.000 1.008 990 S HN 0.798 nan 8.310 nan 0.000 0.482 991 Y N 0.409 119.799 120.300 -1.518 0.000 2.497 991 Y HA 0.398 4.833 4.550 -0.193 0.000 0.334 991 Y C 0.264 175.866 175.900 -0.495 0.000 1.199 991 Y CA -0.760 56.759 58.100 -0.968 0.000 1.425 991 Y CB 0.367 38.155 38.460 -1.120 0.000 1.291 991 Y HN 0.609 nan 8.280 nan 0.000 0.562 992 D N 4.720 125.131 120.400 0.019 0.000 2.363 992 D HA -0.020 4.506 4.640 -0.190 0.000 0.263 992 D C 0.924 177.302 176.300 0.131 0.000 1.258 992 D CA 0.358 54.370 54.000 0.021 0.000 0.907 992 D CB 0.415 41.279 40.800 0.107 0.000 1.107 992 D HN 0.825 nan 8.370 nan 0.000 0.495 993 I N 2.666 123.214 120.570 -0.036 0.000 2.179 993 I HA -0.313 3.743 4.170 -0.190 0.000 0.242 993 I C 2.508 178.681 176.117 0.093 0.000 1.088 993 I CA 1.085 62.411 61.300 0.044 0.000 1.357 993 I CB -0.403 37.532 38.000 -0.108 0.000 1.051 993 I HN 0.428 nan 8.210 nan 0.000 0.409 994 S N 0.939 116.663 115.700 0.041 0.000 2.420 994 S HA -0.217 4.139 4.470 -0.190 0.000 0.237 994 S C 1.797 176.447 174.600 0.083 0.000 1.023 994 S CA 1.176 59.403 58.200 0.045 0.000 0.991 994 S CB -0.450 62.761 63.200 0.018 0.000 0.792 994 S HN 0.474 nan 8.310 nan 0.000 0.488 995 K N 1.063 121.536 120.400 0.122 0.000 2.379 995 K HA 0.209 4.415 4.320 -0.190 0.000 0.194 995 K C -0.072 176.650 176.600 0.204 0.000 1.031 995 K CA 0.206 56.587 56.287 0.157 0.000 1.037 995 K CB 0.109 32.711 32.500 0.170 0.000 0.824 995 K HN 0.376 nan 8.250 nan 0.000 0.516 996 N N 0.467 119.294 118.700 0.211 0.000 2.703 996 N HA 0.142 4.768 4.740 -0.190 0.000 0.283 996 N C -0.030 175.603 175.510 0.204 0.000 1.851 996 N CA 0.014 53.190 53.050 0.210 0.000 0.826 996 N CB 1.599 40.128 38.487 0.070 0.000 1.239 996 N HN -0.002 nan 8.380 nan 0.000 0.495 997 A N 0.614 123.537 122.820 0.171 0.000 1.972 997 A HA -0.019 4.187 4.320 -0.190 0.000 0.219 997 A C 1.973 179.600 177.584 0.071 0.000 1.169 997 A CA 1.719 53.815 52.037 0.097 0.000 0.635 997 A CB -0.035 18.989 19.000 0.039 0.000 0.810 997 A HN 0.416 nan 8.150 nan 0.000 0.446 998 A N -1.220 121.658 122.820 0.097 0.000 2.259 998 A HA 0.475 4.681 4.320 -0.190 0.000 0.208 998 A C 1.193 178.880 177.584 0.173 0.000 1.201 998 A CA 1.003 53.088 52.037 0.080 0.000 0.824 998 A CB -1.138 17.883 19.000 0.034 0.000 0.838 998 A HN 2.066 nan 8.150 nan 0.000 0.485 999 G N -2.075 106.812 108.800 0.145 0.000 2.697 999 G HA2 -0.105 3.741 3.960 -0.190 0.000 0.686 999 G HA3 -0.105 3.741 3.960 -0.190 0.000 0.686 999 G C -0.558 174.294 174.900 -0.080 0.000 1.179 999 G CA -0.425 44.715 45.100 0.065 0.000 0.765 999 G HN 0.729 nan 8.290 nan 0.000 0.649 1000 Y N 2.480 122.429 120.300 -0.584 0.000 2.632 1000 Y HA 0.366 4.802 4.550 -0.190 0.000 0.336 1000 Y C 1.286 177.050 175.900 -0.226 0.000 1.237 1000 Y CA -0.327 57.339 58.100 -0.724 0.000 1.595 1000 Y CB 0.063 37.424 38.460 -1.830 0.000 1.508 1000 Y HN 0.452 nan 8.280 nan 0.000 0.480 1001 N N 4.171 122.700 118.700 -0.285 0.000 2.279 1001 N HA 0.013 4.638 4.740 -0.190 0.000 0.226 1001 N C -0.286 174.999 175.510 -0.376 0.000 1.126 1001 N CA -0.074 52.723 53.050 -0.421 0.000 0.846 1001 N CB 0.324 38.244 38.487 -0.945 0.000 1.050 1001 N HN 0.598 nan 8.380 nan 0.000 0.502 1002 K N -0.493 119.855 120.400 -0.088 0.000 2.090 1002 K HA 0.252 4.458 4.320 -0.190 0.000 0.249 1002 K C -0.576 176.307 176.600 0.471 0.000 0.995 1002 K CA -0.678 55.749 56.287 0.234 0.000 0.914 1002 K CB 1.179 33.775 32.500 0.159 0.000 1.057 1002 K HN -0.108 nan 8.250 nan 0.000 0.462 1003 W N 1.654 123.250 121.300 0.493 0.000 2.202 1003 W HA 0.311 4.856 4.660 -0.192 0.000 0.332 1003 W C -0.280 176.781 176.519 0.904 0.000 1.263 1003 W CA -0.090 57.606 57.345 0.584 0.000 1.223 1003 W CB 0.633 30.320 29.460 0.378 0.000 1.128 1003 W HN 0.561 nan 8.180 nan 0.000 0.573 1004 F N 1.936 122.441 119.950 0.925 0.000 2.654 1004 F HA 0.553 4.966 4.527 -0.190 0.000 0.308 1004 F C -1.846 174.072 175.800 0.197 0.000 1.108 1004 F CA -1.895 56.433 58.000 0.547 0.000 0.957 1004 F CB 0.875 40.087 39.000 0.353 0.000 1.309 1004 F HN 0.148 nan 8.300 nan 0.000 0.446 1005 F N 3.161 122.820 119.950 -0.485 0.000 2.420 1005 F HA 0.759 5.173 4.527 -0.187 0.000 0.342 1005 F C -1.148 174.254 175.800 -0.662 0.000 1.113 1005 F CA -1.120 56.258 58.000 -1.037 0.000 1.059 1005 F CB 1.455 39.617 39.000 -1.396 0.000 1.128 1005 F HN 0.441 nan 8.300 nan 0.000 0.475 1006 V N 4.393 123.484 119.914 -1.372 0.000 2.581 1006 V HA 0.600 4.606 4.120 -0.190 0.000 0.303 1006 V C -0.604 174.667 176.094 -1.371 0.000 1.041 1006 V CA -0.596 61.015 62.300 -1.148 0.000 0.907 1006 V CB 2.038 33.167 31.823 -1.157 0.000 0.994 1006 V HN 0.846 nan 8.190 nan 0.000 0.442 1007 T N 5.081 119.146 114.554 -0.816 0.000 3.050 1007 T HA 0.582 4.818 4.350 -0.190 0.000 0.310 1007 T C -0.640 173.866 174.700 -0.324 0.000 0.978 1007 T CA -0.134 61.594 62.100 -0.621 0.000 1.013 1007 T CB 0.922 69.442 68.868 -0.579 0.000 1.000 1007 T HN 0.371 nan 8.240 nan 0.000 0.447 1008 I N 3.830 124.188 120.570 -0.353 0.000 2.354 1008 I HA 0.366 4.422 4.170 -0.190 0.000 0.286 1008 I C 0.460 176.339 176.117 -0.397 0.000 1.007 1008 I CA -0.613 60.448 61.300 -0.400 0.000 1.167 1008 I CB 1.506 39.086 38.000 -0.701 0.000 1.320 1008 I HN 0.667 nan 8.210 nan 0.000 0.458 1009 T N 1.246 115.627 114.554 -0.289 0.000 2.758 1009 T HA 0.519 4.755 4.350 -0.190 0.000 0.285 1009 T C -0.188 174.275 174.700 -0.395 0.000 0.981 1009 T CA -0.598 61.320 62.100 -0.304 0.000 0.965 1009 T CB 1.205 69.983 68.868 -0.150 0.000 0.927 1009 T HN 0.401 nan 8.240 nan 0.000 0.448 1010 T N 4.185 118.352 114.554 -0.646 0.000 2.792 1010 T HA 0.464 4.700 4.350 -0.190 0.000 0.280 1010 T C -0.514 173.888 174.700 -0.496 0.000 0.990 1010 T CA -0.812 60.898 62.100 -0.650 0.000 0.960 1010 T CB 0.993 69.225 68.868 -1.060 0.000 0.939 1010 T HN 0.698 nan 8.240 nan 0.000 0.439 1011 N N 3.698 122.257 118.700 -0.236 0.000 2.518 1011 N HA 0.187 4.813 4.740 -0.190 0.000 0.254 1011 N C 0.959 176.445 175.510 -0.039 0.000 0.979 1011 N CA -0.648 52.331 53.050 -0.118 0.000 0.930 1011 N CB 1.087 39.532 38.487 -0.071 0.000 1.152 1011 N HN 0.377 nan 8.380 nan 0.000 0.505 1012 M N 2.559 122.172 119.600 0.022 0.000 2.446 1012 M HA -0.057 4.309 4.480 -0.190 0.000 0.263 1012 M C 1.282 177.629 176.300 0.078 0.000 1.066 1012 M CA 1.198 56.557 55.300 0.098 0.000 1.087 1012 M CB -0.393 32.321 32.600 0.190 0.000 1.406 1012 M HN 0.628 nan 8.290 nan 0.000 0.459 1013 M N -2.855 116.776 119.600 0.051 0.000 2.333 1013 M HA 0.348 4.714 4.480 -0.190 0.000 0.257 1013 M C 1.109 177.422 176.300 0.023 0.000 1.078 1013 M CA 0.204 55.529 55.300 0.042 0.000 1.005 1013 M CB -0.035 32.590 32.600 0.041 0.000 1.444 1013 M HN 0.082 nan 8.290 nan 0.000 0.496 1014 G N 1.177 109.983 108.800 0.010 0.000 3.364 1014 G HA2 0.398 4.244 3.960 -0.190 0.000 0.191 1014 G HA3 0.398 4.244 3.960 -0.190 0.000 0.191 1014 G C -0.550 174.345 174.900 -0.009 0.000 1.352 1014 G CA -0.375 44.723 45.100 -0.003 0.000 0.758 1014 G HN 0.205 nan 8.290 nan 0.000 0.730 1015 N N 0.050 118.734 118.700 -0.027 0.000 2.404 1015 N HA 0.465 5.091 4.740 -0.190 0.000 0.297 1015 N C -1.047 174.430 175.510 -0.056 0.000 1.163 1015 N CA -0.390 52.642 53.050 -0.031 0.000 0.864 1015 N CB 2.146 40.612 38.487 -0.034 0.000 1.247 1015 N HN 0.211 nan 8.380 nan 0.000 0.510 1016 M N 1.866 121.443 119.600 -0.039 0.000 2.129 1016 M HA 0.426 4.792 4.480 -0.190 0.000 0.348 1016 M C -1.059 175.197 176.300 -0.072 0.000 1.116 1016 M CA -0.159 55.110 55.300 -0.052 0.000 1.022 1016 M CB 0.641 33.270 32.600 0.049 0.000 1.599 1016 M HN 0.317 nan 8.290 nan 0.000 0.449 1017 M N 5.413 124.943 119.600 -0.116 0.000 2.393 1017 M HA 0.545 4.911 4.480 -0.190 0.000 0.299 1017 M C -1.193 175.017 176.300 -0.151 0.000 1.103 1017 M CA -0.644 54.572 55.300 -0.141 0.000 0.910 1017 M CB 2.878 35.416 32.600 -0.104 0.000 1.659 1017 M HN 0.651 nan 8.290 nan 0.000 0.445 1018 I N 2.103 122.538 120.570 -0.223 0.000 2.509 1018 I HA 0.577 4.633 4.170 -0.190 0.000 0.293 1018 I C -1.812 174.141 176.117 -0.273 0.000 1.020 1018 I CA -0.575 60.635 61.300 -0.150 0.000 1.088 1018 I CB 1.651 39.621 38.000 -0.050 0.000 1.267 1018 I HN 0.668 nan 8.210 nan 0.000 0.430 1019 Y N 6.637 126.799 120.300 -0.231 0.000 2.499 1019 Y HA 0.570 5.005 4.550 -0.193 0.000 0.347 1019 Y C -0.481 175.225 175.900 -0.323 0.000 0.987 1019 Y CA -1.108 56.843 58.100 -0.248 0.000 1.044 1019 Y CB 2.081 40.384 38.460 -0.262 0.000 1.245 1019 Y HN 0.217 nan 8.280 nan 0.000 0.461 1020 I N 3.275 123.768 120.570 -0.127 0.000 2.418 1020 I HA 0.200 4.256 4.170 -0.190 0.000 0.287 1020 I C -0.403 175.658 176.117 -0.094 0.000 1.008 1020 I CA -1.160 60.014 61.300 -0.211 0.000 1.104 1020 I CB 1.197 38.908 38.000 -0.481 0.000 1.264 1020 I HN 0.790 nan 8.210 nan 0.000 0.438 1021 N N 5.110 123.646 118.700 -0.274 0.000 2.716 1021 N HA -0.216 4.410 4.740 -0.190 0.000 0.250 1021 N C 1.137 176.197 175.510 -0.749 0.000 1.033 1021 N CA 1.212 53.901 53.050 -0.601 0.000 0.727 1021 N CB -1.027 37.388 38.487 -0.119 0.000 0.950 1021 N HN 1.142 nan 8.380 nan 0.000 0.541 1022 G N -1.718 106.738 108.800 -0.574 0.000 2.184 1022 G HA2 -0.350 3.496 3.960 -0.190 0.000 0.264 1022 G HA3 -0.350 3.496 3.960 -0.190 0.000 0.264 1022 G C -0.087 174.806 174.900 -0.012 0.000 0.975 1022 G CA 0.774 45.698 45.100 -0.295 0.000 0.642 1022 G HN 0.375 nan 8.290 nan 0.000 0.536 1023 K N 0.243 120.661 120.400 0.029 0.000 2.265 1023 K HA 0.511 4.717 4.320 -0.190 0.000 0.267 1023 K C 0.151 176.742 176.600 -0.015 0.000 0.994 1023 K CA -1.165 55.128 56.287 0.009 0.000 0.860 1023 K CB 1.993 34.389 32.500 -0.172 0.000 1.099 1023 K HN 0.287 nan 8.250 nan 0.000 0.448 1024 L N 4.893 126.066 121.223 -0.084 0.000 2.615 1024 L HA -0.065 4.161 4.340 -0.190 0.000 0.271 1024 L C 0.801 177.441 176.870 -0.383 0.000 1.183 1024 L CA 0.560 55.042 54.840 -0.596 0.000 0.933 1024 L CB 0.098 41.871 42.059 -0.477 0.000 1.199 1024 L HN 0.570 nan 8.230 nan 0.000 0.487 1025 I N 2.534 122.882 120.570 -0.369 0.000 2.810 1025 I HA 0.226 4.282 4.170 -0.190 0.000 0.262 1025 I C 0.483 176.527 176.117 -0.122 0.000 1.131 1025 I CA 0.625 61.830 61.300 -0.158 0.000 1.453 1025 I CB -0.647 37.354 38.000 0.003 0.000 1.161 1025 I HN 0.696 nan 8.210 nan 0.000 0.444 1026 D N -0.802 119.500 120.400 -0.163 0.000 2.599 1026 D HA 0.402 4.928 4.640 -0.190 0.000 0.252 1026 D C -1.071 175.143 176.300 -0.143 0.000 1.232 1026 D CA -0.189 53.751 54.000 -0.101 0.000 0.819 1026 D CB 2.330 43.126 40.800 -0.005 0.000 1.401 1026 D HN -0.079 nan 8.370 nan 0.000 0.429 1027 T N 1.313 115.811 114.554 -0.093 0.000 3.578 1027 T HA 0.573 4.809 4.350 -0.190 0.000 0.343 1027 T C -1.284 173.391 174.700 -0.042 0.000 1.126 1027 T CA -0.664 61.384 62.100 -0.087 0.000 1.092 1027 T CB -0.084 68.712 68.868 -0.120 0.000 1.160 1027 T HN 0.460 nan 8.240 nan 0.000 0.469 1028 I N 0.998 121.556 120.570 -0.020 0.000 2.785 1028 I HA 0.804 4.860 4.170 -0.190 0.000 0.302 1028 I C -0.660 175.458 176.117 0.001 0.000 1.069 1028 I CA -1.480 59.818 61.300 -0.003 0.000 1.045 1028 I CB 2.090 40.099 38.000 0.016 0.000 1.236 1028 I HN 0.507 nan 8.210 nan 0.000 0.429 1029 K N 3.809 124.211 120.400 0.004 0.000 2.349 1029 K HA 0.326 4.532 4.320 -0.190 0.000 0.288 1029 K C -0.967 175.646 176.600 0.021 0.000 1.058 1029 K CA -0.192 56.099 56.287 0.007 0.000 0.953 1029 K CB 0.763 33.267 32.500 0.005 0.000 0.997 1029 K HN 0.549 nan 8.250 nan 0.000 0.477 1030 V N 6.339 126.269 119.914 0.028 0.000 2.529 1030 V HA 0.022 4.028 4.120 -0.190 0.000 0.292 1030 V C 0.686 176.807 176.094 0.044 0.000 1.028 1030 V CA -0.089 62.239 62.300 0.047 0.000 1.074 1030 V CB -0.029 31.829 31.823 0.059 0.000 0.958 1030 V HN 0.891 nan 8.190 nan 0.000 0.481 1031 K N 3.643 124.071 120.400 0.046 0.000 2.179 1031 K HA 0.468 4.674 4.320 -0.190 0.000 0.238 1031 K C -0.069 176.558 176.600 0.045 0.000 1.033 1031 K CA -0.816 55.494 56.287 0.038 0.000 0.926 1031 K CB 0.772 33.290 32.500 0.029 0.000 1.151 1031 K HN 0.404 nan 8.250 nan 0.000 0.492 1032 E N 0.884 121.106 120.200 0.036 0.000 2.159 1032 E HA 0.053 4.289 4.350 -0.190 0.000 0.272 1032 E C -0.619 176.002 176.600 0.035 0.000 1.138 1032 E CA 0.172 56.594 56.400 0.037 0.000 0.915 1032 E CB -0.108 29.608 29.700 0.027 0.000 1.028 1032 E HN 0.576 nan 8.360 nan 0.000 0.423 1033 L N 4.095 125.346 121.223 0.046 0.000 3.110 1033 L HA 0.183 4.408 4.340 -0.190 0.000 0.266 1033 L C 0.303 177.189 176.870 0.027 0.000 1.257 1033 L CA -0.418 54.443 54.840 0.034 0.000 1.038 1033 L CB -0.232 41.854 42.059 0.045 0.000 1.395 1033 L HN 0.492 nan 8.230 nan 0.000 0.566 1034 T N -1.639 112.935 114.554 0.033 0.000 2.903 1034 T HA 0.216 4.452 4.350 -0.190 0.000 0.299 1034 T C 1.380 176.086 174.700 0.010 0.000 1.041 1034 T CA 0.682 62.799 62.100 0.029 0.000 1.138 1034 T CB 1.070 69.951 68.868 0.022 0.000 1.040 1034 T HN 0.583 nan 8.240 nan 0.000 0.524 1035 G N 2.563 111.368 108.800 0.008 0.000 2.259 1035 G HA2 -0.233 3.613 3.960 -0.190 0.000 0.217 1035 G HA3 -0.233 3.613 3.960 -0.190 0.000 0.217 1035 G C 0.180 175.065 174.900 -0.026 0.000 1.001 1035 G CA -0.190 44.906 45.100 -0.008 0.000 0.627 1035 G HN 1.053 nan 8.290 nan 0.000 0.501 1036 I N 1.798 122.341 120.570 -0.046 0.000 2.775 1036 I HA 0.231 4.287 4.170 -0.190 0.000 0.290 1036 I C -0.267 175.749 176.117 -0.168 0.000 1.203 1036 I CA 0.165 61.370 61.300 -0.158 0.000 1.433 1036 I CB 0.384 38.247 38.000 -0.229 0.000 1.354 1036 I HN 0.249 nan 8.210 nan 0.000 0.579 1037 N N 7.785 126.339 118.700 -0.242 0.000 2.540 1037 N HA 0.250 4.876 4.740 -0.190 0.000 0.275 1037 N C -1.317 174.080 175.510 -0.189 0.000 1.053 1037 N CA -0.472 52.522 53.050 -0.094 0.000 0.876 1037 N CB 0.773 39.264 38.487 0.006 0.000 1.284 1037 N HN 0.262 nan 8.380 nan 0.000 0.518 1038 F N 1.068 121.069 119.950 0.085 0.000 2.484 1038 F HA 0.144 4.548 4.527 -0.205 0.000 0.360 1038 F C 1.655 177.449 175.800 -0.011 0.000 1.101 1038 F CA -0.082 57.900 58.000 -0.031 0.000 1.251 1038 F CB 0.765 39.671 39.000 -0.156 0.000 1.132 1038 F HN 0.225 nan 8.300 nan 0.000 0.570 1039 S N 1.952 117.711 115.700 0.099 0.000 2.565 1039 S HA 0.260 4.616 4.470 -0.190 0.000 0.274 1039 S C 0.571 175.183 174.600 0.019 0.000 1.309 1039 S CA -0.954 57.252 58.200 0.010 0.000 1.043 1039 S CB 0.527 63.666 63.200 -0.102 0.000 0.939 1039 S HN 0.599 nan 8.310 nan 0.000 0.504 1040 K N 2.032 122.452 120.400 0.033 0.000 2.520 1040 K HA 0.311 4.517 4.320 -0.190 0.000 0.205 1040 K C -0.204 176.402 176.600 0.009 0.000 1.035 1040 K CA -0.187 56.125 56.287 0.041 0.000 1.188 1040 K CB -0.050 32.487 32.500 0.062 0.000 0.894 1040 K HN 0.335 nan 8.250 nan 0.000 0.497 1041 T N 1.044 115.574 114.554 -0.041 0.000 2.886 1041 T HA 0.570 4.806 4.350 -0.190 0.000 0.292 1041 T C -0.753 173.855 174.700 -0.154 0.000 1.012 1041 T CA -0.667 61.394 62.100 -0.066 0.000 0.982 1041 T CB 1.187 70.015 68.868 -0.067 0.000 1.018 1041 T HN 0.143 nan 8.240 nan 0.000 0.451 1042 I N 2.501 122.993 120.570 -0.130 0.000 2.499 1042 I HA 0.418 4.474 4.170 -0.190 0.000 0.288 1042 I C -0.345 175.645 176.117 -0.212 0.000 1.048 1042 I CA -0.792 60.356 61.300 -0.254 0.000 1.062 1042 I CB 2.324 40.230 38.000 -0.156 0.000 1.238 1042 I HN 0.503 nan 8.210 nan 0.000 0.426 1043 T N 5.516 119.889 114.554 -0.303 0.000 2.809 1043 T HA 0.517 4.753 4.350 -0.190 0.000 0.284 1043 T C -0.576 173.967 174.700 -0.260 0.000 0.992 1043 T CA -0.385 61.610 62.100 -0.175 0.000 0.957 1043 T CB 0.738 69.532 68.868 -0.122 0.000 0.942 1043 T HN 0.123 nan 8.240 nan 0.000 0.439 1044 F N 3.020 122.900 119.950 -0.117 0.000 2.391 1044 F HA 0.557 5.008 4.527 -0.127 0.000 0.359 1044 F C 0.670 176.445 175.800 -0.042 0.000 1.122 1044 F CA -0.370 57.584 58.000 -0.076 0.000 1.120 1044 F CB 1.030 40.018 39.000 -0.019 0.000 1.142 1044 F HN 0.446 nan 8.300 nan 0.000 0.483 1045 Q N 3.941 123.794 119.800 0.088 0.000 2.616 1045 Q HA 0.287 4.513 4.340 -0.190 0.000 0.254 1045 Q C -1.677 174.343 176.000 0.033 0.000 0.975 1045 Q CA -0.687 55.148 55.803 0.053 0.000 0.976 1045 Q CB 1.404 30.159 28.738 0.028 0.000 1.594 1045 Q HN 0.641 nan 8.270 nan 0.000 0.425 1046 M N 3.791 123.402 119.600 0.019 0.000 2.264 1046 M HA 0.352 4.718 4.480 -0.190 0.000 0.340 1046 M C -0.834 175.566 176.300 0.168 0.000 1.420 1046 M CA -0.165 55.155 55.300 0.033 0.000 1.254 1046 M CB 0.025 32.547 32.600 -0.129 0.000 1.575 1046 M HN 0.324 nan 8.290 nan 0.000 0.452 1047 N N 3.001 121.840 118.700 0.230 0.000 2.407 1047 N HA 0.283 4.909 4.740 -0.190 0.000 0.277 1047 N C -0.743 174.848 175.510 0.134 0.000 0.995 1047 N CA -0.669 52.483 53.050 0.169 0.000 0.903 1047 N CB 1.859 40.380 38.487 0.057 0.000 1.218 1047 N HN 0.378 nan 8.380 nan 0.000 0.487 1048 K N 2.116 122.483 120.400 -0.055 0.000 2.368 1048 K HA 0.270 4.476 4.320 -0.190 0.000 0.282 1048 K C -0.468 175.973 176.600 -0.265 0.000 1.035 1048 K CA 0.030 56.021 56.287 -0.493 0.000 0.973 1048 K CB 0.239 32.499 32.500 -0.399 0.000 0.957 1048 K HN 0.485 nan 8.250 nan 0.000 0.474 1049 I N 8.112 128.510 120.570 -0.286 0.000 2.312 1049 I HA 0.235 4.291 4.170 -0.190 0.000 0.291 1049 I C -1.788 174.246 176.117 -0.139 0.000 1.031 1049 I CA -2.394 58.815 61.300 -0.151 0.000 1.293 1049 I CB 1.270 39.206 38.000 -0.107 0.000 1.403 1049 I HN 0.622 nan 8.210 nan 0.000 0.484 1050 P HA -0.040 nan 4.420 nan 0.000 0.265 1050 P C -0.541 176.721 177.300 -0.064 0.000 1.193 1050 P CA 0.336 63.390 63.100 -0.077 0.000 0.765 1050 P CB 0.281 31.947 31.700 -0.057 0.000 0.823 1051 N N -0.106 118.560 118.700 -0.056 0.000 2.780 1051 N HA -0.129 4.497 4.740 -0.190 0.000 0.248 1051 N C -0.052 175.433 175.510 -0.041 0.000 1.102 1051 N CA 0.878 53.903 53.050 -0.042 0.000 0.697 1051 N CB -1.771 36.696 38.487 -0.034 0.000 1.028 1051 N HN 0.624 nan 8.380 nan 0.000 0.554 1052 T N -3.306 111.217 114.554 -0.051 0.000 3.215 1052 T HA 0.506 4.742 4.350 -0.190 0.000 0.271 1052 T C 1.205 175.895 174.700 -0.017 0.000 1.012 1052 T CA 0.271 62.348 62.100 -0.039 0.000 0.899 1052 T CB 0.922 69.757 68.868 -0.056 0.000 1.089 1052 T HN 0.692 nan 8.240 nan 0.000 0.552 1053 G N 1.685 110.476 108.800 -0.015 0.000 2.130 1053 G HA2 -0.200 3.646 3.960 -0.190 0.000 0.216 1053 G HA3 -0.200 3.646 3.960 -0.190 0.000 0.216 1053 G C 0.094 175.000 174.900 0.011 0.000 0.999 1053 G CA -0.288 44.814 45.100 0.004 0.000 0.686 1053 G HN 0.795 nan 8.290 nan 0.000 0.515 1054 L N 1.009 122.227 121.223 -0.008 0.000 4.149 1054 L HA 0.017 4.243 4.340 -0.190 0.000 0.325 1054 L C 0.565 177.452 176.870 0.028 0.000 1.180 1054 L CA 0.765 55.606 54.840 0.002 0.000 1.130 1054 L CB -0.714 41.334 42.059 -0.018 0.000 1.643 1054 L HN 0.328 nan 8.230 nan 0.000 0.369 1055 I N 4.716 125.317 120.570 0.051 0.000 2.523 1055 I HA 0.115 4.171 4.170 -0.190 0.000 0.281 1055 I C 0.942 177.104 176.117 0.075 0.000 1.126 1055 I CA -0.470 60.864 61.300 0.057 0.000 1.187 1055 I CB -0.055 37.979 38.000 0.058 0.000 1.478 1055 I HN 0.588 nan 8.210 nan 0.000 0.522 1062 I N -1.202 119.309 120.570 -0.098 0.000 2.797 1062 I HA 0.574 4.630 4.170 -0.190 0.000 0.310 1062 I C -0.366 175.621 176.117 -0.216 0.000 0.990 1062 I CA -0.804 60.411 61.300 -0.142 0.000 1.228 1062 I CB 1.155 39.035 38.000 -0.200 0.000 1.406 1062 I HN 0.155 nan 8.210 nan 0.000 0.534 1063 N N 2.848 121.405 118.700 -0.239 0.000 2.362 1063 N HA 0.678 5.304 4.740 -0.190 0.000 0.299 1063 N C -1.271 173.917 175.510 -0.536 0.000 1.170 1063 N CA -0.921 51.849 53.050 -0.466 0.000 0.825 1063 N CB 2.307 40.416 38.487 -0.630 0.000 1.299 1063 N HN 0.619 nan 8.380 nan 0.000 0.502 1064 M N 1.553 120.720 119.600 -0.722 0.000 2.322 1064 M HA 0.398 4.764 4.480 -0.190 0.000 0.286 1064 M C -2.044 173.933 176.300 -0.538 0.000 1.111 1064 M CA -0.545 54.496 55.300 -0.431 0.000 0.941 1064 M CB 1.854 34.313 32.600 -0.235 0.000 1.671 1064 M HN 0.571 nan 8.290 nan 0.000 0.470 1065 W N 5.793 126.894 121.300 -0.332 0.000 2.632 1065 W HA 0.590 5.139 4.660 -0.185 0.000 0.328 1065 W C -0.914 175.411 176.519 -0.322 0.000 1.044 1065 W CA -0.889 56.240 57.345 -0.361 0.000 1.225 1065 W CB 1.781 30.989 29.460 -0.421 0.000 1.396 1065 W HN 0.433 nan 8.180 nan 0.000 0.499 1066 I N 2.915 123.307 120.570 -0.297 0.000 2.785 1066 I HA 0.569 4.625 4.170 -0.190 0.000 0.302 1066 I C -0.068 175.979 176.117 -0.118 0.000 1.069 1066 I CA -1.160 60.004 61.300 -0.227 0.000 1.045 1066 I CB 2.192 39.796 38.000 -0.659 0.000 1.236 1066 I HN 0.398 nan 8.210 nan 0.000 0.429 1067 R N 4.004 124.662 120.500 0.265 0.000 2.536 1067 R HA 0.199 4.425 4.340 -0.190 0.000 0.269 1067 R C -1.676 174.833 176.300 0.348 0.000 1.113 1067 R CA -0.301 55.951 56.100 0.252 0.000 0.948 1067 R CB 1.504 31.864 30.300 0.100 0.000 1.237 1067 R HN 0.742 nan 8.270 nan 0.000 0.441 1068 D N 3.435 124.024 120.400 0.315 0.000 2.927 1068 D HA -0.244 4.282 4.640 -0.190 0.000 0.236 1068 D C -0.937 175.451 176.300 0.147 0.000 1.163 1068 D CA 1.070 55.212 54.000 0.238 0.000 0.801 1068 D CB -0.845 39.998 40.800 0.072 0.000 0.975 1068 D HN 0.354 nan 8.370 nan 0.000 0.413 1069 F N 2.219 122.337 119.950 0.280 0.000 2.413 1069 F HA 0.326 4.756 4.527 -0.163 0.000 0.359 1069 F C -0.233 175.868 175.800 0.500 0.000 1.122 1069 F CA -0.211 58.005 58.000 0.361 0.000 1.160 1069 F CB 0.304 39.525 39.000 0.370 0.000 1.146 1069 F HN 0.024 nan 8.300 nan 0.000 0.514 1070 Y N 5.923 126.092 120.300 -0.218 0.000 2.567 1070 Y HA 0.697 5.131 4.550 -0.194 0.000 0.333 1070 Y C -0.187 175.396 175.900 -0.528 0.000 1.106 1070 Y CA -1.610 56.297 58.100 -0.322 0.000 1.157 1070 Y CB 2.120 40.413 38.460 -0.279 0.000 1.277 1070 Y HN 0.170 nan 8.280 nan 0.000 0.490 1071 I N 1.940 122.289 120.570 -0.369 0.000 2.610 1071 I HA 0.239 4.295 4.170 -0.190 0.000 0.289 1071 I C -1.596 174.271 176.117 -0.416 0.000 1.163 1071 I CA -0.419 60.714 61.300 -0.279 0.000 1.044 1071 I CB 1.867 39.794 38.000 -0.121 0.000 1.251 1071 I HN 0.386 nan 8.210 nan 0.000 0.424 1072 F N 3.843 123.808 119.950 0.025 0.000 2.469 1072 F HA 0.522 4.937 4.527 -0.187 0.000 0.332 1072 F C 0.829 176.651 175.800 0.037 0.000 1.103 1072 F CA -0.672 57.342 58.000 0.023 0.000 0.979 1072 F CB 1.992 41.004 39.000 0.020 0.000 1.137 1072 F HN 0.469 nan 8.300 nan 0.000 0.463 1073 A N 3.890 126.822 122.820 0.187 0.000 2.916 1073 A HA 0.370 4.576 4.320 -0.190 0.000 0.254 1073 A C 0.029 177.692 177.584 0.132 0.000 1.544 1073 A CA -0.062 52.053 52.037 0.130 0.000 1.224 1073 A CB -1.149 17.886 19.000 0.057 0.000 1.012 1073 A HN 0.761 nan 8.150 nan 0.000 0.636 1074 K N -1.087 119.398 120.400 0.142 0.000 2.607 1074 K HA 0.411 4.617 4.320 -0.190 0.000 0.287 1074 K C -1.061 175.540 176.600 0.001 0.000 0.996 1074 K CA -0.798 55.525 56.287 0.060 0.000 0.876 1074 K CB 0.881 33.403 32.500 0.037 0.000 1.496 1074 K HN 0.042 nan 8.250 nan 0.000 0.415 1075 E N 3.066 123.235 120.200 -0.052 0.000 2.001 1075 E HA 0.187 4.423 4.350 -0.190 0.000 0.279 1075 E C -0.726 175.806 176.600 -0.113 0.000 1.045 1075 E CA -0.625 55.712 56.400 -0.104 0.000 0.833 1075 E CB 0.486 30.125 29.700 -0.102 0.000 1.077 1075 E HN 0.455 nan 8.360 nan 0.000 0.397 1076 L N 4.208 125.335 121.223 -0.160 0.000 2.456 1076 L HA 0.103 4.329 4.340 -0.190 0.000 0.272 1076 L C 0.500 177.250 176.870 -0.200 0.000 1.189 1076 L CA -0.173 54.538 54.840 -0.216 0.000 0.846 1076 L CB 0.217 42.089 42.059 -0.312 0.000 1.111 1076 L HN 0.654 nan 8.230 nan 0.000 0.475 1077 D N -0.319 119.976 120.400 -0.176 0.000 2.442 1077 D HA 0.168 4.694 4.640 -0.190 0.000 0.254 1077 D C 0.302 176.489 176.300 -0.189 0.000 1.069 1077 D CA -0.671 53.247 54.000 -0.138 0.000 1.017 1077 D CB 0.762 41.515 40.800 -0.078 0.000 1.172 1077 D HN 0.427 nan 8.370 nan 0.000 0.561 1078 D N -0.395 119.928 120.400 -0.127 0.000 2.177 1078 D HA -0.257 4.269 4.640 -0.190 0.000 0.189 1078 D C 1.698 177.933 176.300 -0.109 0.000 1.002 1078 D CA 2.236 56.162 54.000 -0.124 0.000 0.845 1078 D CB 0.002 40.795 40.800 -0.011 0.000 0.960 1078 D HN 0.545 nan 8.370 nan 0.000 0.447 1079 K N 0.151 120.511 120.400 -0.066 0.000 2.059 1079 K HA -0.240 3.966 4.320 -0.190 0.000 0.212 1079 K C 1.462 178.022 176.600 -0.067 0.000 1.050 1079 K CA 2.048 58.306 56.287 -0.048 0.000 0.927 1079 K CB -0.034 32.443 32.500 -0.038 0.000 0.714 1079 K HN 0.111 nan 8.250 nan 0.000 0.447 1080 D N 0.560 120.897 120.400 -0.105 0.000 2.078 1080 D HA -0.155 4.371 4.640 -0.190 0.000 0.193 1080 D C 1.980 178.199 176.300 -0.135 0.000 0.990 1080 D CA 1.309 55.230 54.000 -0.133 0.000 0.827 1080 D CB -0.326 40.362 40.800 -0.188 0.000 0.975 1080 D HN 0.258 nan 8.370 nan 0.000 0.451 1081 I N 0.869 121.320 120.570 -0.198 0.000 2.087 1081 I HA -0.381 3.675 4.170 -0.190 0.000 0.240 1081 I C 1.769 177.880 176.117 -0.010 0.000 1.054 1081 I CA 1.543 62.734 61.300 -0.182 0.000 1.311 1081 I CB -0.366 37.356 38.000 -0.463 0.000 1.024 1081 I HN 0.000 nan 8.210 nan 0.000 0.402 1082 N N 0.577 119.268 118.700 -0.015 0.000 2.223 1082 N HA -0.103 4.523 4.740 -0.190 0.000 0.185 1082 N C 1.836 177.424 175.510 0.130 0.000 1.016 1082 N CA 1.065 54.190 53.050 0.124 0.000 0.863 1082 N CB -0.162 38.388 38.487 0.104 0.000 0.983 1082 N HN 0.335 nan 8.380 nan 0.000 0.429 1083 I N -0.033 120.563 120.570 0.042 0.000 2.226 1083 I HA -0.220 3.836 4.170 -0.190 0.000 0.245 1083 I C 2.034 178.165 176.117 0.024 0.000 1.100 1083 I CA 0.637 61.949 61.300 0.020 0.000 1.374 1083 I CB -0.143 37.852 38.000 -0.008 0.000 1.057 1083 I HN 0.177 nan 8.210 nan 0.000 0.413 1084 L N 0.801 122.046 121.223 0.038 0.000 1.989 1084 L HA -0.258 3.968 4.340 -0.190 0.000 0.211 1084 L C 2.362 179.218 176.870 -0.023 0.000 1.071 1084 L CA 1.809 56.688 54.840 0.064 0.000 0.749 1084 L CB -0.979 41.162 42.059 0.138 0.000 0.890 1084 L HN 0.197 nan 8.230 nan 0.000 0.431 1085 F N 0.571 120.343 119.950 -0.298 0.000 2.039 1085 F HA -0.455 3.957 4.527 -0.191 0.000 0.296 1085 F C 2.185 177.863 175.800 -0.204 0.000 1.119 1085 F CA 2.415 60.092 58.000 -0.539 0.000 1.211 1085 F CB -0.302 38.552 39.000 -0.243 0.000 0.956 1085 F HN 0.349 nan 8.300 nan 0.000 0.496 1086 N N -0.167 118.395 118.700 -0.230 0.000 2.084 1086 N HA -0.214 4.412 4.740 -0.190 0.000 0.190 1086 N C 1.863 177.247 175.510 -0.210 0.000 1.030 1086 N CA 1.527 54.399 53.050 -0.297 0.000 0.849 1086 N CB -0.375 38.019 38.487 -0.155 0.000 1.012 1086 N HN 0.363 nan 8.380 nan 0.000 0.423 1087 S N 0.450 116.077 115.700 -0.120 0.000 2.465 1087 S HA -0.078 4.278 4.470 -0.190 0.000 0.241 1087 S C 1.463 175.999 174.600 -0.107 0.000 1.000 1087 S CA 0.777 58.918 58.200 -0.098 0.000 0.964 1087 S CB -0.152 63.036 63.200 -0.020 0.000 0.763 1087 S HN 0.131 nan 8.310 nan 0.000 0.512 1088 L N 1.418 122.589 121.223 -0.086 0.000 2.592 1088 L HA 0.400 4.626 4.340 -0.190 0.000 0.227 1088 L C 0.675 177.471 176.870 -0.124 0.000 1.127 1088 L CA 0.326 55.158 54.840 -0.013 0.000 0.884 1088 L CB -0.713 41.443 42.059 0.162 0.000 1.065 1088 L HN 0.642 nan 8.230 nan 0.000 0.457 1089 Q N -2.667 116.974 119.800 -0.267 0.000 2.501 1089 Q HA 0.371 4.597 4.340 -0.190 0.000 0.288 1089 Q C -1.474 174.263 176.000 -0.438 0.000 1.051 1089 Q CA -0.856 54.756 55.803 -0.317 0.000 0.788 1089 Q CB 1.007 29.568 28.738 -0.295 0.000 1.469 1089 Q HN -0.017 nan 8.270 nan 0.000 0.416 1090 Y N 1.428 121.556 120.300 -0.286 0.000 2.804 1090 Y HA 0.141 4.576 4.550 -0.191 0.000 0.330 1090 Y C 1.504 177.292 175.900 -0.187 0.000 1.092 1090 Y CA -0.030 57.919 58.100 -0.252 0.000 1.315 1090 Y CB 1.009 39.267 38.460 -0.336 0.000 1.188 1090 Y HN 0.905 nan 8.280 nan 0.000 0.512 1091 T N -2.526 111.990 114.554 -0.064 0.000 2.918 1091 T HA -0.255 3.981 4.350 -0.190 0.000 0.271 1091 T C 1.499 176.195 174.700 -0.006 0.000 1.104 1091 T CA 1.954 64.029 62.100 -0.041 0.000 1.114 1091 T CB -0.062 68.773 68.868 -0.054 0.000 0.855 1091 T HN 0.442 nan 8.240 nan 0.000 0.518 1092 N N 0.188 118.890 118.700 0.004 0.000 2.336 1092 N HA 0.105 4.731 4.740 -0.190 0.000 0.189 1092 N C -0.474 175.025 175.510 -0.017 0.000 1.113 1092 N CA -0.084 52.969 53.050 0.005 0.000 0.858 1092 N CB 0.186 38.678 38.487 0.008 0.000 0.970 1092 N HN 0.302 nan 8.380 nan 0.000 0.471 1093 V N 1.906 121.797 119.914 -0.037 0.000 2.368 1093 V HA 0.218 4.224 4.120 -0.190 0.000 0.266 1093 V C 0.169 176.215 176.094 -0.080 0.000 1.045 1093 V CA -0.808 61.437 62.300 -0.092 0.000 0.899 1093 V CB 1.087 32.817 31.823 -0.155 0.000 1.006 1093 V HN -0.117 nan 8.190 nan 0.000 0.470 1094 V N 6.244 126.107 119.914 -0.084 0.000 2.763 1094 V HA 0.187 4.193 4.120 -0.190 0.000 0.306 1094 V C 0.481 176.514 176.094 -0.101 0.000 1.059 1094 V CA -0.219 62.045 62.300 -0.060 0.000 1.138 1094 V CB 0.597 32.376 31.823 -0.075 0.000 0.940 1094 V HN 0.719 nan 8.190 nan 0.000 0.489 1095 K N 2.723 123.096 120.400 -0.044 0.000 2.208 1095 K HA 0.434 4.640 4.320 -0.190 0.000 0.247 1095 K C -0.450 176.119 176.600 -0.052 0.000 0.953 1095 K CA -0.805 55.415 56.287 -0.112 0.000 0.837 1095 K CB 1.584 33.936 32.500 -0.245 0.000 1.131 1095 K HN 0.869 nan 8.250 nan 0.000 0.431 1096 D N -0.594 119.747 120.400 -0.099 0.000 2.411 1096 D HA -0.053 4.473 4.640 -0.190 0.000 0.251 1096 D C 1.150 177.488 176.300 0.062 0.000 1.201 1096 D CA -0.249 53.721 54.000 -0.051 0.000 0.996 1096 D CB 0.126 40.900 40.800 -0.044 0.000 1.101 1096 D HN 0.451 nan 8.370 nan 0.000 0.504 1097 Y N -0.401 119.793 120.300 -0.177 0.000 2.241 1097 Y HA -0.158 4.279 4.550 -0.189 0.000 0.286 1097 Y C 1.609 177.529 175.900 0.033 0.000 1.166 1097 Y CA 1.329 59.280 58.100 -0.247 0.000 1.203 1097 Y CB -0.242 37.756 38.460 -0.770 0.000 0.977 1097 Y HN 0.512 nan 8.280 nan 0.000 0.529 1098 W N -1.490 119.886 121.300 0.126 0.000 3.139 1098 W HA 0.262 4.810 4.660 -0.186 0.000 0.260 1098 W C 1.821 178.366 176.519 0.043 0.000 1.312 1098 W CA 0.339 57.714 57.345 0.050 0.000 1.606 1098 W CB 0.218 29.700 29.460 0.036 0.000 1.118 1098 W HN 0.186 nan 8.180 nan 0.000 0.675 1099 G N -0.156 108.597 108.800 -0.079 0.000 2.201 1099 G HA2 -0.261 3.585 3.960 -0.190 0.000 0.212 1099 G HA3 -0.261 3.585 3.960 -0.190 0.000 0.212 1099 G C 0.237 174.947 174.900 -0.317 0.000 0.994 1099 G CA -0.477 44.197 45.100 -0.709 0.000 0.644 1099 G HN 0.124 nan 8.290 nan 0.000 0.508 1100 N N 1.494 120.180 118.700 -0.023 0.000 2.354 1100 N HA 0.286 4.912 4.740 -0.190 0.000 0.246 1100 N C -0.402 175.037 175.510 -0.119 0.000 1.285 1100 N CA -0.078 52.950 53.050 -0.037 0.000 0.925 1100 N CB 0.380 38.909 38.487 0.071 0.000 1.174 1100 N HN 0.195 nan 8.380 nan 0.000 0.478 1101 D N 0.861 121.192 120.400 -0.114 0.000 2.424 1101 D HA 0.054 4.580 4.640 -0.190 0.000 0.244 1101 D C 0.194 176.425 176.300 -0.115 0.000 1.134 1101 D CA -0.141 53.776 54.000 -0.139 0.000 0.881 1101 D CB 0.704 41.416 40.800 -0.146 0.000 1.191 1101 D HN 0.215 nan 8.370 nan 0.000 0.445 1102 L N 3.123 124.235 121.223 -0.185 0.000 2.380 1102 L HA 0.232 4.458 4.340 -0.190 0.000 0.273 1102 L C 0.216 176.933 176.870 -0.255 0.000 1.138 1102 L CA 0.233 54.917 54.840 -0.260 0.000 0.832 1102 L CB 0.321 42.126 42.059 -0.424 0.000 1.124 1102 L HN 0.302 nan 8.230 nan 0.000 0.454 1103 R N 3.470 123.896 120.500 -0.123 0.000 2.854 1103 R HA 0.422 4.648 4.340 -0.190 0.000 0.271 1103 R C -1.239 174.941 176.300 -0.200 0.000 0.994 1103 R CA -0.900 55.096 56.100 -0.173 0.000 0.945 1103 R CB 1.048 31.328 30.300 -0.033 0.000 1.194 1103 R HN 0.438 nan 8.270 nan 0.000 0.476 1104 Y N 0.774 121.043 120.300 -0.052 0.000 2.298 1104 Y HA 0.024 4.460 4.550 -0.189 0.000 0.329 1104 Y C 0.504 176.360 175.900 -0.074 0.000 1.293 1104 Y CA 0.160 58.204 58.100 -0.093 0.000 1.388 1104 Y CB 0.722 39.104 38.460 -0.130 0.000 1.309 1104 Y HN 0.695 nan 8.280 nan 0.000 0.544 1105 D N -0.068 120.382 120.400 0.085 0.000 2.837 1105 D HA -0.228 4.298 4.640 -0.190 0.000 0.230 1105 D C -0.498 175.777 176.300 -0.041 0.000 1.152 1105 D CA 0.927 54.931 54.000 0.007 0.000 0.736 1105 D CB -1.071 39.734 40.800 0.009 0.000 1.084 1105 D HN 0.507 nan 8.370 nan 0.000 0.429 1106 K N 0.467 120.820 120.400 -0.077 0.000 2.482 1106 K HA 0.336 4.542 4.320 -0.190 0.000 0.251 1106 K C -0.601 175.784 176.600 -0.358 0.000 0.936 1106 K CA -0.606 55.534 56.287 -0.244 0.000 0.791 1106 K CB 1.870 34.144 32.500 -0.377 0.000 1.213 1106 K HN -0.142 nan 8.250 nan 0.000 0.428 1107 E N 2.709 122.715 120.200 -0.323 0.000 2.376 1107 E HA 0.056 4.291 4.350 -0.190 0.000 0.266 1107 E C -1.126 175.221 176.600 -0.423 0.000 1.009 1107 E CA 0.432 56.674 56.400 -0.264 0.000 0.902 1107 E CB 0.470 30.052 29.700 -0.197 0.000 0.972 1107 E HN 0.336 nan 8.360 nan 0.000 0.439 1108 Y N 1.046 121.307 120.300 -0.066 0.000 2.581 1108 Y HA 0.267 4.702 4.550 -0.191 0.000 0.345 1108 Y C -0.936 174.914 175.900 -0.083 0.000 1.036 1108 Y CA -0.883 57.213 58.100 -0.007 0.000 1.042 1108 Y CB 1.216 39.780 38.460 0.173 0.000 1.289 1108 Y HN 0.408 nan 8.280 nan 0.000 0.471 1109 Y N 2.488 122.950 120.300 0.270 0.000 2.367 1109 Y HA 0.375 4.811 4.550 -0.191 0.000 0.342 1109 Y C 0.154 176.086 175.900 0.054 0.000 0.979 1109 Y CA -0.617 57.572 58.100 0.149 0.000 1.161 1109 Y CB 1.303 39.824 38.460 0.102 0.000 1.155 1109 Y HN 0.505 nan 8.280 nan 0.000 0.503 1110 M N 6.075 125.770 119.600 0.158 0.000 2.120 1110 M HA 0.547 4.913 4.480 -0.190 0.000 0.354 1110 M C -1.754 174.565 176.300 0.030 0.000 1.287 1110 M CA 0.398 55.636 55.300 -0.104 0.000 1.103 1110 M CB -0.010 32.479 32.600 -0.185 0.000 1.623 1110 M HN 0.534 nan 8.290 nan 0.000 0.471 1111 I N 4.188 124.690 120.570 -0.113 0.000 2.647 1111 I HA 0.378 4.433 4.170 -0.190 0.000 0.295 1111 I C -0.483 175.492 176.117 -0.238 0.000 1.078 1111 I CA -0.946 60.291 61.300 -0.105 0.000 1.048 1111 I CB 2.091 39.928 38.000 -0.272 0.000 1.239 1111 I HN 0.677 nan 8.210 nan 0.000 0.421 1112 N N 3.375 121.804 118.700 -0.451 0.000 2.499 1112 N HA 0.163 4.789 4.740 -0.190 0.000 0.281 1112 N C 0.816 175.967 175.510 -0.598 0.000 1.098 1112 N CA -0.091 52.406 53.050 -0.921 0.000 0.979 1112 N CB 2.165 39.924 38.487 -1.212 0.000 1.121 1112 N HN 0.437 nan 8.380 nan 0.000 0.466 1113 V N 3.593 123.126 119.914 -0.634 0.000 2.380 1113 V HA -0.259 3.747 4.120 -0.190 0.000 0.251 1113 V C 1.629 177.490 176.094 -0.387 0.000 1.063 1113 V CA 1.605 63.587 62.300 -0.530 0.000 1.055 1113 V CB -0.496 30.934 31.823 -0.655 0.000 0.657 1113 V HN 0.681 nan 8.190 nan 0.000 0.455 1114 N N -1.405 117.059 118.700 -0.394 0.000 2.494 1114 N HA -0.024 4.601 4.740 -0.190 0.000 0.182 1114 N C 0.139 175.238 175.510 -0.685 0.000 1.076 1114 N CA 0.671 53.440 53.050 -0.468 0.000 0.908 1114 N CB 0.029 38.228 38.487 -0.480 0.000 0.967 1114 N HN 0.592 nan 8.380 nan 0.000 0.449 1115 Y N -0.179 119.921 120.300 -0.334 0.000 2.480 1115 Y HA 0.302 4.737 4.550 -0.190 0.000 0.356 1115 Y C 0.976 176.734 175.900 -0.237 0.000 0.922 1115 Y CA -0.449 57.482 58.100 -0.282 0.000 1.146 1115 Y CB 0.299 38.539 38.460 -0.367 0.000 1.185 1115 Y HN -0.161 nan 8.280 nan 0.000 0.624 1116 M N -0.422 119.119 119.600 -0.099 0.000 2.539 1116 M HA -0.104 4.262 4.480 -0.190 0.000 0.261 1116 M C 0.384 176.729 176.300 0.075 0.000 1.069 1116 M CA 1.157 56.441 55.300 -0.027 0.000 1.081 1116 M CB -0.800 31.806 32.600 0.011 0.000 1.412 1116 M HN 0.500 nan 8.290 nan 0.000 0.482 1117 N N 0.492 119.216 118.700 0.040 0.000 2.376 1117 N HA 0.077 4.703 4.740 -0.190 0.000 0.249 1117 N C -0.530 175.020 175.510 0.068 0.000 1.140 1117 N CA -0.141 52.941 53.050 0.053 0.000 0.870 1117 N CB 0.625 39.126 38.487 0.023 0.000 1.124 1117 N HN 0.009 nan 8.380 nan 0.000 0.505 1118 R N 0.913 121.457 120.500 0.075 0.000 2.621 1118 R HA 0.286 4.512 4.340 -0.190 0.000 0.292 1118 R C -1.083 175.319 176.300 0.171 0.000 0.969 1118 R CA -0.659 55.475 56.100 0.055 0.000 0.887 1118 R CB 1.113 31.415 30.300 0.003 0.000 1.180 1118 R HN 0.131 nan 8.270 nan 0.000 0.450 1119 Y N -0.914 119.514 120.300 0.213 0.000 2.621 1119 Y HA 0.647 5.083 4.550 -0.190 0.000 0.334 1119 Y C -0.075 175.979 175.900 0.257 0.000 1.074 1119 Y CA -1.473 56.752 58.100 0.208 0.000 1.149 1119 Y CB 1.145 39.650 38.460 0.075 0.000 1.302 1119 Y HN 0.352 nan 8.280 nan 0.000 0.501 1120 M N 2.662 122.518 119.600 0.428 0.000 2.180 1120 M HA 0.407 4.773 4.480 -0.190 0.000 0.358 1120 M C -0.190 176.211 176.300 0.169 0.000 1.233 1120 M CA 0.042 55.415 55.300 0.122 0.000 1.114 1120 M CB 1.386 34.051 32.600 0.109 0.000 1.594 1120 M HN 0.871 nan 8.290 nan 0.000 0.467 1121 S N 2.593 118.294 115.700 0.001 0.000 2.811 1121 S HA 0.733 5.089 4.470 -0.190 0.000 0.311 1121 S C -1.502 173.162 174.600 0.107 0.000 1.152 1121 S CA -0.859 57.408 58.200 0.111 0.000 0.864 1121 S CB 1.960 65.194 63.200 0.056 0.000 1.226 1121 S HN 0.707 nan 8.310 nan 0.000 0.541 1122 K N 0.955 121.459 120.400 0.173 0.000 2.502 1122 K HA 0.532 4.738 4.320 -0.190 0.000 0.257 1122 K C -1.952 174.599 176.600 -0.081 0.000 0.938 1122 K CA -0.613 55.654 56.287 -0.034 0.000 0.819 1122 K CB 1.579 33.999 32.500 -0.133 0.000 1.333 1122 K HN 0.532 nan 8.250 nan 0.000 0.434 1123 K N 2.874 123.162 120.400 -0.188 0.000 2.716 1123 K HA 0.335 4.541 4.320 -0.190 0.000 0.249 1123 K C -0.245 176.205 176.600 -0.251 0.000 1.004 1123 K CA 0.227 56.395 56.287 -0.199 0.000 0.968 1123 K CB 0.954 33.309 32.500 -0.242 0.000 1.214 1123 K HN 0.916 nan 8.250 nan 0.000 0.476 1124 G N 3.328 112.005 108.800 -0.206 0.000 2.528 1124 G HA2 -0.336 3.509 3.960 -0.190 0.000 0.262 1124 G HA3 -0.336 3.509 3.960 -0.190 0.000 0.262 1124 G C 0.358 175.084 174.900 -0.290 0.000 1.200 1124 G CA 0.144 45.120 45.100 -0.207 0.000 0.951 1124 G HN 0.616 nan 8.290 nan 0.000 0.566 1125 N N 1.956 120.441 118.700 -0.359 0.000 2.409 1125 N HA 0.079 4.704 4.740 -0.190 0.000 0.179 1125 N C 1.404 176.490 175.510 -0.707 0.000 1.032 1125 N CA 1.295 54.033 53.050 -0.520 0.000 0.898 1125 N CB -0.318 37.781 38.487 -0.645 0.000 0.971 1125 N HN 0.925 nan 8.380 nan 0.000 0.441 1126 G N 0.508 108.941 108.800 -0.611 0.000 2.537 1126 G HA2 0.436 4.282 3.960 -0.190 0.000 0.273 1126 G HA3 0.436 4.282 3.960 -0.190 0.000 0.273 1126 G C -0.272 174.495 174.900 -0.222 0.000 1.189 1126 G CA -0.369 44.517 45.100 -0.357 0.000 0.881 1126 G HN -0.005 nan 8.290 nan 0.000 0.535 1127 I N 1.677 122.182 120.570 -0.109 0.000 2.330 1127 I HA 0.243 4.299 4.170 -0.190 0.000 0.289 1127 I C 0.460 176.426 176.117 -0.251 0.000 1.001 1127 I CA -0.429 60.749 61.300 -0.203 0.000 1.193 1127 I CB 0.885 38.750 38.000 -0.226 0.000 1.345 1127 I HN 0.276 nan 8.210 nan 0.000 0.461 1128 V N 3.947 123.695 119.914 -0.277 0.000 2.769 1128 V HA 0.606 4.612 4.120 -0.190 0.000 0.312 1128 V C -0.741 175.134 176.094 -0.365 0.000 1.058 1128 V CA -0.800 61.377 62.300 -0.205 0.000 0.952 1128 V CB 1.963 33.744 31.823 -0.071 0.000 1.019 1128 V HN 0.393 nan 8.190 nan 0.000 0.445 1129 F N 2.712 122.633 119.950 -0.048 0.000 2.388 1129 F HA 0.571 4.984 4.527 -0.190 0.000 0.358 1129 F C 0.463 176.111 175.800 -0.254 0.000 1.122 1129 F CA -0.337 57.570 58.000 -0.156 0.000 1.056 1129 F CB 1.407 40.322 39.000 -0.141 0.000 1.155 1129 F HN 0.559 nan 8.300 nan 0.000 0.461 1130 N N 1.131 119.605 118.700 -0.377 0.000 2.472 1130 N HA 0.305 4.931 4.740 -0.190 0.000 0.289 1130 N C -0.509 174.718 175.510 -0.472 0.000 1.156 1130 N CA -0.636 52.115 53.050 -0.498 0.000 0.940 1130 N CB 1.226 39.290 38.487 -0.706 0.000 1.200 1130 N HN 0.346 nan 8.380 nan 0.000 0.511 1131 T N 1.344 115.796 114.554 -0.171 0.000 2.834 1131 T HA 0.111 4.347 4.350 -0.190 0.000 0.298 1131 T C 0.832 175.596 174.700 0.106 0.000 0.966 1131 T CA -0.254 61.831 62.100 -0.025 0.000 1.141 1131 T CB 0.024 68.901 68.868 0.015 0.000 0.905 1131 T HN 0.396 nan 8.240 nan 0.000 0.535 1132 R N 3.165 123.771 120.500 0.177 0.000 2.679 1132 R HA 0.289 4.515 4.340 -0.190 0.000 0.269 1132 R C 1.334 177.711 176.300 0.129 0.000 1.076 1132 R CA -0.692 55.579 56.100 0.286 0.000 1.160 1132 R CB 0.833 31.254 30.300 0.201 0.000 1.054 1132 R HN 0.551 nan 8.270 nan 0.000 0.507 1133 K N 0.640 121.088 120.400 0.080 0.000 2.002 1133 K HA -0.140 4.066 4.320 -0.190 0.000 0.209 1133 K C 0.188 176.789 176.600 0.001 0.000 1.048 1133 K CA 1.903 58.207 56.287 0.028 0.000 0.930 1133 K CB 0.015 32.511 32.500 -0.007 0.000 0.714 1133 K HN 0.889 nan 8.250 nan 0.000 0.438 1134 N N -2.288 116.396 118.700 -0.028 0.000 3.204 1134 N HA 0.098 4.724 4.740 -0.190 0.000 0.285 1134 N C -0.588 174.863 175.510 -0.100 0.000 1.536 1134 N CA -0.776 52.245 53.050 -0.047 0.000 0.832 1134 N CB 0.576 39.039 38.487 -0.039 0.000 1.645 1134 N HN -0.125 nan 8.380 nan 0.000 0.586 1135 N N -0.389 118.246 118.700 -0.109 0.000 2.254 1135 N HA -0.035 4.590 4.740 -0.190 0.000 0.190 1135 N C 0.496 175.889 175.510 -0.194 0.000 1.107 1135 N CA 0.248 53.186 53.050 -0.187 0.000 0.869 1135 N CB -0.281 38.132 38.487 -0.123 0.000 0.983 1135 N HN 0.583 nan 8.380 nan 0.000 0.487 1136 N N 0.298 118.932 118.700 -0.109 0.000 2.609 1136 N HA -0.061 4.565 4.740 -0.190 0.000 0.190 1136 N C -0.390 175.072 175.510 -0.079 0.000 1.157 1136 N CA 0.809 53.821 53.050 -0.062 0.000 0.918 1136 N CB 0.152 38.627 38.487 -0.019 0.000 0.978 1136 N HN -0.006 nan 8.380 nan 0.000 0.448 1137 D N -2.283 118.008 120.400 -0.182 0.000 2.615 1137 D HA 0.355 4.881 4.640 -0.190 0.000 0.267 1137 D C -0.986 175.087 176.300 -0.377 0.000 1.236 1137 D CA -0.720 53.180 54.000 -0.166 0.000 0.839 1137 D CB 0.725 41.481 40.800 -0.074 0.000 1.380 1137 D HN -0.041 nan 8.370 nan 0.000 0.433 1138 F N -0.105 119.806 119.950 -0.066 0.000 2.746 1138 F HA 0.262 4.674 4.527 -0.191 0.000 0.320 1138 F C 0.478 175.893 175.800 -0.642 0.000 1.097 1138 F CA -0.397 57.467 58.000 -0.227 0.000 1.195 1138 F CB 0.554 39.469 39.000 -0.142 0.000 1.056 1138 F HN 0.023 nan 8.300 nan 0.000 0.562 1139 N N 2.476 120.974 118.700 -0.337 0.000 2.807 1139 N HA 0.160 4.786 4.740 -0.190 0.000 0.259 1139 N C -0.773 174.524 175.510 -0.355 0.000 1.149 1139 N CA 0.161 52.922 53.050 -0.483 0.000 1.042 1139 N CB 0.190 38.680 38.487 0.005 0.000 1.367 1139 N HN 0.357 nan 8.380 nan 0.000 0.516 1140 E N 0.784 120.668 120.200 -0.526 0.000 2.363 1140 E HA 0.535 4.771 4.350 -0.190 0.000 0.281 1140 E C -0.095 176.322 176.600 -0.305 0.000 0.953 1140 E CA -0.744 55.437 56.400 -0.366 0.000 0.778 1140 E CB 0.981 30.424 29.700 -0.428 0.000 1.220 1140 E HN 0.426 nan 8.360 nan 0.000 0.431 1141 G N 1.483 110.018 108.800 -0.440 0.000 2.681 1141 G HA2 -0.281 3.565 3.960 -0.190 0.000 0.220 1141 G HA3 -0.281 3.565 3.960 -0.190 0.000 0.220 1141 G C -1.005 173.874 174.900 -0.035 0.000 1.353 1141 G CA -0.263 44.625 45.100 -0.355 0.000 0.872 1141 G HN 0.488 nan 8.290 nan 0.000 0.557 1142 Y N 0.676 121.092 120.300 0.192 0.000 2.314 1142 Y HA 0.551 4.986 4.550 -0.190 0.000 0.334 1142 Y C 1.266 177.213 175.900 0.078 0.000 1.266 1142 Y CA -0.074 58.093 58.100 0.112 0.000 1.391 1142 Y CB 0.875 39.371 38.460 0.060 0.000 1.306 1142 Y HN 0.498 nan 8.280 nan 0.000 0.558 1143 K N 1.912 122.389 120.400 0.128 0.000 2.221 1143 K HA 0.560 4.766 4.320 -0.190 0.000 0.243 1143 K C -1.203 175.422 176.600 0.041 0.000 0.968 1143 K CA -0.906 55.328 56.287 -0.089 0.000 0.846 1143 K CB 1.682 34.004 32.500 -0.296 0.000 1.141 1143 K HN 0.505 nan 8.250 nan 0.000 0.434 1144 I N -1.679 118.937 120.570 0.077 0.000 2.797 1144 I HA 0.577 4.633 4.170 -0.190 0.000 0.307 1144 I C -0.873 175.354 176.117 0.182 0.000 1.033 1144 I CA -0.562 60.839 61.300 0.168 0.000 1.071 1144 I CB 1.250 39.390 38.000 0.233 0.000 1.255 1144 I HN 0.437 nan 8.210 nan 0.000 0.445 1145 I N 4.493 125.175 120.570 0.186 0.000 2.447 1145 I HA 0.415 4.471 4.170 -0.190 0.000 0.287 1145 I C -0.803 175.360 176.117 0.076 0.000 1.023 1145 I CA -0.528 60.838 61.300 0.110 0.000 1.083 1145 I CB 1.821 39.841 38.000 0.033 0.000 1.245 1145 I HN 0.507 nan 8.210 nan 0.000 0.434 1146 I N 6.862 127.458 120.570 0.044 0.000 2.396 1146 I HA 0.204 4.260 4.170 -0.190 0.000 0.289 1146 I C -0.073 175.984 176.117 -0.100 0.000 1.056 1146 I CA -0.374 60.840 61.300 -0.143 0.000 1.365 1146 I CB 0.281 38.160 38.000 -0.202 0.000 1.407 1146 I HN 0.302 nan 8.210 nan 0.000 0.509 1147 K N 6.992 127.108 120.400 -0.473 0.000 2.274 1147 K HA 0.383 4.589 4.320 -0.190 0.000 0.262 1147 K C -0.358 175.848 176.600 -0.657 0.000 0.961 1147 K CA -0.760 55.143 56.287 -0.639 0.000 0.833 1147 K CB 2.017 33.781 32.500 -1.228 0.000 1.102 1147 K HN 0.565 nan 8.250 nan 0.000 0.436 1148 R N 3.618 123.609 120.500 -0.849 0.000 2.543 1148 R HA 0.216 4.442 4.340 -0.190 0.000 0.277 1148 R C 0.239 176.310 176.300 -0.380 0.000 1.074 1148 R CA 0.117 55.666 56.100 -0.920 0.000 1.076 1148 R CB 0.383 29.770 30.300 -1.521 0.000 0.993 1148 R HN 0.693 nan 8.270 nan 0.000 0.459 1149 I N 2.205 122.648 120.570 -0.213 0.000 3.673 1149 I HA 0.199 4.255 4.170 -0.190 0.000 0.281 1149 I C 0.470 176.536 176.117 -0.084 0.000 1.182 1149 I CA -0.070 61.184 61.300 -0.076 0.000 1.391 1149 I CB 0.390 38.398 38.000 0.014 0.000 1.383 1149 I HN 0.518 nan 8.210 nan 0.000 0.456 1150 R N 0.148 120.601 120.500 -0.078 0.000 2.698 1150 R HA 0.669 4.895 4.340 -0.190 0.000 0.275 1150 R C -1.041 175.234 176.300 -0.042 0.000 1.001 1150 R CA -0.560 55.507 56.100 -0.054 0.000 0.896 1150 R CB 2.532 32.815 30.300 -0.027 0.000 1.218 1150 R HN 0.196 nan 8.270 nan 0.000 0.462 1151 G N 0.885 109.664 108.800 -0.035 0.000 2.387 1151 G HA2 0.078 3.923 3.960 -0.190 0.000 0.294 1151 G HA3 0.078 3.923 3.960 -0.190 0.000 0.294 1151 G C -0.714 174.177 174.900 -0.015 0.000 1.509 1151 G CA -0.660 44.432 45.100 -0.013 0.000 0.806 1151 G HN 0.468 nan 8.290 nan 0.000 0.546 1152 N N -0.609 118.087 118.700 -0.007 0.000 2.081 1152 N HA 0.078 4.703 4.740 -0.190 0.000 0.191 1152 N C 1.346 176.846 175.510 -0.017 0.000 1.053 1152 N CA 1.569 54.612 53.050 -0.012 0.000 0.846 1152 N CB -0.141 38.340 38.487 -0.009 0.000 1.032 1152 N HN 0.565 nan 8.380 nan 0.000 0.431 1153 T N 0.026 114.570 114.554 -0.017 0.000 2.904 1153 T HA 0.191 4.427 4.350 -0.190 0.000 0.290 1153 T C -0.027 174.663 174.700 -0.017 0.000 1.018 1153 T CA -0.347 61.739 62.100 -0.024 0.000 1.075 1153 T CB 0.695 69.540 68.868 -0.038 0.000 0.986 1153 T HN 0.210 nan 8.240 nan 0.000 0.523 1154 N N 1.439 120.126 118.700 -0.022 0.000 2.841 1154 N HA 0.151 4.777 4.740 -0.190 0.000 0.257 1154 N C -0.432 175.069 175.510 -0.016 0.000 1.396 1154 N CA -0.335 52.701 53.050 -0.023 0.000 0.823 1154 N CB 0.320 38.784 38.487 -0.038 0.000 1.162 1154 N HN 0.679 nan 8.380 nan 0.000 0.503 1155 D N 1.121 121.520 120.400 -0.002 0.000 2.563 1155 D HA 0.106 4.632 4.640 -0.190 0.000 0.237 1155 D C 0.099 176.402 176.300 0.006 0.000 1.282 1155 D CA -0.079 53.914 54.000 -0.013 0.000 0.816 1155 D CB 0.212 40.984 40.800 -0.046 0.000 1.066 1155 D HN 0.345 nan 8.370 nan 0.000 0.501 1156 T N -0.424 114.174 114.554 0.072 0.000 6.445 1156 T HA -0.191 4.045 4.350 -0.190 0.000 0.280 1156 T C 0.452 175.178 174.700 0.043 0.000 2.174 1156 T CA 0.623 62.796 62.100 0.121 0.000 3.648 1156 T CB -1.231 67.660 68.868 0.039 0.000 1.091 1156 T HN 0.383 nan 8.240 nan 0.000 1.002 1157 R N 1.192 121.675 120.500 -0.027 0.000 2.297 1157 R HA 0.538 4.764 4.340 -0.190 0.000 0.308 1157 R C -0.035 176.139 176.300 -0.209 0.000 1.029 1157 R CA -0.569 55.437 56.100 -0.157 0.000 0.929 1157 R CB 1.301 31.504 30.300 -0.162 0.000 1.046 1157 R HN 0.119 nan 8.270 nan 0.000 0.461 1158 V N 4.845 124.489 119.914 -0.451 0.000 2.470 1158 V HA 0.169 4.175 4.120 -0.190 0.000 0.276 1158 V C 0.765 176.747 176.094 -0.187 0.000 1.040 1158 V CA 0.164 62.182 62.300 -0.469 0.000 1.008 1158 V CB 0.405 31.828 31.823 -0.667 0.000 0.990 1158 V HN 0.666 nan 8.190 nan 0.000 0.477 1159 R N 2.611 123.078 120.500 -0.056 0.000 2.902 1159 R HA 0.543 4.769 4.340 -0.190 0.000 0.258 1159 R C 1.399 177.707 176.300 0.014 0.000 1.071 1159 R CA -0.258 55.824 56.100 -0.029 0.000 1.024 1159 R CB 1.328 31.617 30.300 -0.019 0.000 1.184 1159 R HN 0.774 nan 8.270 nan 0.000 0.492 1160 G N 1.097 109.909 108.800 0.020 0.000 3.248 1160 G HA2 -0.323 3.523 3.960 -0.190 0.000 0.228 1160 G HA3 -0.323 3.523 3.960 -0.190 0.000 0.228 1160 G C 0.536 175.479 174.900 0.071 0.000 1.100 1160 G CA 0.750 45.878 45.100 0.048 0.000 0.750 1160 G HN 0.576 nan 8.290 nan 0.000 1.046 1161 E N 2.111 122.345 120.200 0.057 0.000 2.405 1161 E HA 0.019 4.255 4.350 -0.190 0.000 0.194 1161 E C 0.266 176.908 176.600 0.070 0.000 1.149 1161 E CA -0.159 56.279 56.400 0.063 0.000 0.933 1161 E CB -0.593 29.128 29.700 0.035 0.000 1.028 1161 E HN 0.257 nan 8.360 nan 0.000 0.487 1162 N N 0.243 118.993 118.700 0.083 0.000 2.479 1162 N HA 0.023 4.649 4.740 -0.190 0.000 0.257 1162 N C -0.293 175.277 175.510 0.100 0.000 1.232 1162 N CA 0.050 53.155 53.050 0.091 0.000 0.920 1162 N CB 1.034 39.611 38.487 0.151 0.000 1.105 1162 N HN -0.192 nan 8.380 nan 0.000 0.444 1163 V N 2.963 122.915 119.914 0.064 0.000 2.398 1163 V HA 0.550 4.556 4.120 -0.190 0.000 0.286 1163 V C -0.025 176.092 176.094 0.038 0.000 1.026 1163 V CA -0.649 61.691 62.300 0.066 0.000 0.868 1163 V CB 0.641 32.485 31.823 0.035 0.000 0.982 1163 V HN 0.507 nan 8.190 nan 0.000 0.443 1164 L N 3.936 125.197 121.223 0.064 0.000 2.502 1164 L HA 0.888 5.114 4.340 -0.190 0.000 0.253 1164 L C -0.897 175.988 176.870 0.024 0.000 1.070 1164 L CA -1.030 53.793 54.840 -0.030 0.000 0.871 1164 L CB 1.703 43.711 42.059 -0.085 0.000 1.487 1164 L HN 0.622 nan 8.230 nan 0.000 0.408 1165 Y N -1.686 118.484 120.300 -0.217 0.000 2.634 1165 Y HA 0.874 5.310 4.550 -0.190 0.000 0.340 1165 Y C -1.687 173.975 175.900 -0.396 0.000 1.058 1165 Y CA -1.675 56.340 58.100 -0.143 0.000 1.081 1165 Y CB 1.491 39.957 38.460 0.010 0.000 1.295 1165 Y HN 0.424 nan 8.280 nan 0.000 0.487 1166 F N 1.173 121.311 119.950 0.313 0.000 2.482 1166 F HA 0.492 4.904 4.527 -0.191 0.000 0.331 1166 F C -0.236 175.702 175.800 0.231 0.000 1.115 1166 F CA -0.595 57.493 58.000 0.146 0.000 0.955 1166 F CB 1.851 40.899 39.000 0.080 0.000 1.136 1166 F HN 0.574 nan 8.300 nan 0.000 0.452 1167 N N 0.355 119.234 118.700 0.298 0.000 2.404 1167 N HA 0.672 5.298 4.740 -0.190 0.000 0.297 1167 N C -1.242 174.385 175.510 0.194 0.000 1.163 1167 N CA -0.653 52.550 53.050 0.255 0.000 0.864 1167 N CB 2.002 40.602 38.487 0.189 0.000 1.247 1167 N HN 0.572 nan 8.380 nan 0.000 0.510 1168 T N 0.136 114.787 114.554 0.162 0.000 3.295 1168 T HA 0.217 4.452 4.350 -0.190 0.000 0.331 1168 T C -1.432 173.323 174.700 0.091 0.000 1.142 1168 T CA -0.526 61.638 62.100 0.107 0.000 1.078 1168 T CB 0.916 69.828 68.868 0.075 0.000 1.150 1168 T HN 0.285 nan 8.240 nan 0.000 0.465 1169 T N 6.151 120.736 114.554 0.052 0.000 2.729 1169 T HA 0.401 4.637 4.350 -0.190 0.000 0.296 1169 T C 0.860 175.537 174.700 -0.037 0.000 0.928 1169 T CA -0.374 61.749 62.100 0.039 0.000 1.045 1169 T CB 0.708 69.597 68.868 0.035 0.000 0.902 1169 T HN 0.458 nan 8.240 nan 0.000 0.500 1170 I N 2.220 122.753 120.570 -0.062 0.000 4.056 1170 I HA 0.205 4.261 4.170 -0.190 0.000 0.232 1170 I C 1.720 177.795 176.117 -0.071 0.000 1.031 1170 I CA 0.653 61.752 61.300 -0.336 0.000 1.571 1170 I CB -0.106 37.560 38.000 -0.557 0.000 1.470 1170 I HN 0.497 nan 8.210 nan 0.000 0.463 1171 D N -0.020 120.394 120.400 0.024 0.000 2.162 1171 D HA 0.065 4.591 4.640 -0.190 0.000 0.252 1171 D C 0.966 177.294 176.300 0.046 0.000 1.095 1171 D CA 1.019 55.051 54.000 0.054 0.000 0.928 1171 D CB 0.150 40.986 40.800 0.059 0.000 0.989 1171 D HN 0.056 nan 8.370 nan 0.000 0.401 1172 N N 0.086 118.806 118.700 0.034 0.000 2.433 1172 N HA 0.133 4.759 4.740 -0.190 0.000 0.270 1172 N C -1.193 174.310 175.510 -0.011 0.000 1.354 1172 N CA 0.075 53.133 53.050 0.014 0.000 0.889 1172 N CB 0.835 39.329 38.487 0.011 0.000 1.285 1172 N HN 0.136 nan 8.380 nan 0.000 0.503 1173 K N 0.442 120.835 120.400 -0.012 0.000 2.443 1173 K HA 0.325 4.531 4.320 -0.190 0.000 0.251 1173 K C -0.746 175.797 176.600 -0.095 0.000 0.972 1173 K CA -0.645 55.577 56.287 -0.107 0.000 0.833 1173 K CB 2.694 35.074 32.500 -0.200 0.000 1.317 1173 K HN -0.018 nan 8.250 nan 0.000 0.441 1174 Q N 1.755 121.438 119.800 -0.195 0.000 2.330 1174 Q HA 0.357 4.583 4.340 -0.190 0.000 0.269 1174 Q C -1.587 174.296 176.000 -0.195 0.000 1.022 1174 Q CA -0.561 55.195 55.803 -0.078 0.000 0.796 1174 Q CB 1.001 29.724 28.738 -0.024 0.000 1.271 1174 Q HN 0.484 nan 8.270 nan 0.000 0.450 1175 Y N 0.302 120.589 120.300 -0.022 0.000 2.631 1175 Y HA 0.627 5.063 4.550 -0.190 0.000 0.328 1175 Y C 0.195 176.127 175.900 0.054 0.000 1.118 1175 Y CA -0.764 57.333 58.100 -0.006 0.000 1.206 1175 Y CB 2.022 40.455 38.460 -0.044 0.000 1.337 1175 Y HN 0.700 nan 8.280 nan 0.000 0.515 1176 S N 0.274 116.126 115.700 0.252 0.000 2.568 1176 S HA 0.734 5.090 4.470 -0.190 0.000 0.293 1176 S C -1.381 173.366 174.600 0.244 0.000 1.089 1176 S CA -1.039 57.314 58.200 0.254 0.000 0.945 1176 S CB 0.978 64.285 63.200 0.179 0.000 1.077 1176 S HN 0.532 nan 8.310 nan 0.000 0.485 1177 L N 1.816 123.220 121.223 0.302 0.000 2.305 1177 L HA 0.751 4.977 4.340 -0.190 0.000 0.281 1177 L C 0.704 177.764 176.870 0.316 0.000 1.085 1177 L CA -0.269 54.734 54.840 0.271 0.000 0.813 1177 L CB 0.700 42.911 42.059 0.254 0.000 1.157 1177 L HN 1.037 nan 8.230 nan 0.000 0.436 1178 G N 2.696 111.652 108.800 0.260 0.000 2.677 1178 G HA2 0.556 4.402 3.960 -0.190 0.000 0.291 1178 G HA3 0.556 4.402 3.960 -0.190 0.000 0.291 1178 G C -0.924 174.117 174.900 0.235 0.000 1.435 1178 G CA -0.956 44.297 45.100 0.254 0.000 0.826 1178 G HN 0.370 nan 8.290 nan 0.000 0.491 1179 M N 0.114 119.816 119.600 0.170 0.000 2.207 1179 M HA 0.458 4.823 4.480 -0.190 0.000 0.311 1179 M C -0.286 176.054 176.300 0.067 0.000 1.127 1179 M CA 0.165 55.500 55.300 0.059 0.000 1.181 1179 M CB 0.684 33.276 32.600 -0.012 0.000 1.409 1179 M HN 0.684 nan 8.290 nan 0.000 0.461 1180 Y N -1.965 118.274 120.300 -0.102 0.000 2.592 1180 Y HA 0.524 4.960 4.550 -0.190 0.000 0.334 1180 Y C -1.278 174.549 175.900 -0.121 0.000 1.136 1180 Y CA -1.627 56.400 58.100 -0.122 0.000 1.042 1180 Y CB 0.893 39.312 38.460 -0.068 0.000 1.325 1180 Y HN 0.551 nan 8.280 nan 0.000 0.457 1181 K N 4.993 125.389 120.400 -0.006 0.000 2.349 1181 K HA 0.371 4.577 4.320 -0.190 0.000 0.288 1181 K C -2.398 174.214 176.600 0.020 0.000 1.058 1181 K CA -1.677 54.563 56.287 -0.077 0.000 0.953 1181 K CB 0.549 33.027 32.500 -0.037 0.000 0.997 1181 K HN 0.614 nan 8.250 nan 0.000 0.477 1182 P HA -0.001 nan 4.420 nan 0.000 0.276 1182 P C 0.252 177.597 177.300 0.076 0.000 1.252 1182 P CA -0.382 62.679 63.100 -0.064 0.000 0.802 1182 P CB 1.328 32.683 31.700 -0.574 0.000 1.035 1183 S N 0.762 116.623 115.700 0.268 0.000 2.420 1183 S HA -0.181 4.175 4.470 -0.190 0.000 0.237 1183 S C 0.866 175.543 174.600 0.129 0.000 1.023 1183 S CA 0.664 58.999 58.200 0.225 0.000 0.991 1183 S CB -0.591 62.800 63.200 0.318 0.000 0.792 1183 S HN 0.765 nan 8.310 nan 0.000 0.488 1184 R N -0.655 119.888 120.500 0.072 0.000 2.690 1184 R HA 0.394 4.620 4.340 -0.190 0.000 0.269 1184 R C -1.557 174.699 176.300 -0.074 0.000 1.037 1184 R CA -0.937 55.175 56.100 0.020 0.000 0.877 1184 R CB 0.202 30.544 30.300 0.070 0.000 1.255 1184 R HN -0.015 nan 8.270 nan 0.000 0.467 1185 N N 1.704 120.364 118.700 -0.068 0.000 2.447 1185 N HA 0.033 4.659 4.740 -0.190 0.000 0.263 1185 N C 0.550 175.988 175.510 -0.121 0.000 1.226 1185 N CA 0.109 53.093 53.050 -0.111 0.000 0.906 1185 N CB 0.712 39.159 38.487 -0.066 0.000 1.060 1185 N HN 0.658 nan 8.380 nan 0.000 0.468 1186 L N 2.001 123.088 121.223 -0.226 0.000 2.446 1186 L HA 0.300 4.526 4.340 -0.190 0.000 0.219 1186 L C 1.310 178.110 176.870 -0.117 0.000 1.116 1186 L CA 0.024 54.724 54.840 -0.232 0.000 0.844 1186 L CB -0.270 41.431 42.059 -0.597 0.000 0.970 1186 L HN 0.641 nan 8.230 nan 0.000 0.457 1187 G N -0.872 107.864 108.800 -0.107 0.000 2.347 1187 G HA2 0.066 3.912 3.960 -0.190 0.000 0.303 1187 G HA3 0.066 3.912 3.960 -0.190 0.000 0.303 1187 G C -0.857 174.023 174.900 -0.033 0.000 1.481 1187 G CA -0.922 44.160 45.100 -0.030 0.000 0.914 1187 G HN -0.223 nan 8.290 nan 0.000 0.638 1188 T N 1.869 116.425 114.554 0.004 0.000 2.831 1188 T HA 0.346 4.582 4.350 -0.190 0.000 0.291 1188 T C 0.368 175.090 174.700 0.036 0.000 0.981 1188 T CA 1.229 63.339 62.100 0.017 0.000 1.174 1188 T CB 0.386 69.269 68.868 0.024 0.000 0.929 1188 T HN 0.738 nan 8.240 nan 0.000 0.532 1189 D N 0.832 121.255 120.400 0.038 0.000 2.911 1189 D HA -0.157 4.369 4.640 -0.190 0.000 0.227 1189 D C -0.377 175.937 176.300 0.024 0.000 1.164 1189 D CA 0.685 54.723 54.000 0.063 0.000 0.782 1189 D CB -1.073 39.821 40.800 0.156 0.000 1.094 1189 D HN 0.495 nan 8.370 nan 0.000 0.425 1190 L N 0.580 121.776 121.223 -0.046 0.000 2.325 1190 L HA 0.564 4.790 4.340 -0.190 0.000 0.281 1190 L C -0.096 176.654 176.870 -0.200 0.000 1.004 1190 L CA -0.790 53.980 54.840 -0.116 0.000 0.823 1190 L CB 2.434 44.385 42.059 -0.180 0.000 1.236 1190 L HN -0.098 nan 8.230 nan 0.000 0.415 1191 V N 6.353 126.153 119.914 -0.191 0.000 2.588 1191 V HA 0.646 4.652 4.120 -0.190 0.000 0.304 1191 V C -2.295 173.622 176.094 -0.295 0.000 1.042 1191 V CA -1.956 60.190 62.300 -0.257 0.000 0.877 1191 V CB 2.636 34.356 31.823 -0.172 0.000 0.996 1191 V HN 0.515 nan 8.190 nan 0.000 0.425 1192 P HA 0.221 nan 4.420 nan 0.000 0.274 1192 P C -1.128 175.998 177.300 -0.291 0.000 1.231 1192 P CA -0.362 62.462 63.100 -0.459 0.000 0.790 1192 P CB 1.536 32.750 31.700 -0.810 0.000 0.951 1193 L N 1.927 123.164 121.223 0.024 0.000 2.313 1193 L HA 0.745 4.971 4.340 -0.190 0.000 0.283 1193 L C 0.152 177.227 176.870 0.340 0.000 1.013 1193 L CA 0.037 54.984 54.840 0.178 0.000 0.816 1193 L CB 1.128 43.262 42.059 0.125 0.000 1.236 1193 L HN 0.629 nan 8.230 nan 0.000 0.419 1194 G N 2.802 111.837 108.800 0.391 0.000 3.105 1194 G HA2 0.733 4.579 3.960 -0.190 0.000 0.277 1194 G HA3 0.733 4.579 3.960 -0.190 0.000 0.277 1194 G C -1.635 173.273 174.900 0.013 0.000 1.375 1194 G CA -0.393 44.784 45.100 0.129 0.000 0.962 1194 G HN 0.824 nan 8.290 nan 0.000 0.541 1195 A N 0.247 122.984 122.820 -0.138 0.000 2.280 1195 A HA 0.704 4.910 4.320 -0.190 0.000 0.320 1195 A C -0.435 177.131 177.584 -0.031 0.000 1.366 1195 A CA -0.325 51.635 52.037 -0.128 0.000 0.938 1195 A CB -0.309 18.454 19.000 -0.394 0.000 1.157 1195 A HN 0.497 nan 8.150 nan 0.000 0.536 1196 L N 1.814 123.130 121.223 0.155 0.000 2.346 1196 L HA 0.398 4.624 4.340 -0.190 0.000 0.276 1196 L C -0.239 176.771 176.870 0.233 0.000 1.006 1196 L CA -0.901 54.058 54.840 0.198 0.000 0.817 1196 L CB 2.028 44.153 42.059 0.110 0.000 1.272 1196 L HN 0.548 nan 8.230 nan 0.000 0.421 1197 D N 3.401 123.897 120.400 0.160 0.000 2.713 1197 D HA 0.087 4.613 4.640 -0.190 0.000 0.229 1197 D C -0.391 175.888 176.300 -0.034 0.000 1.136 1197 D CA -0.131 53.826 54.000 -0.072 0.000 1.010 1197 D CB 0.347 40.993 40.800 -0.257 0.000 1.084 1197 D HN 0.568 nan 8.370 nan 0.000 0.495 1198 Q N 1.037 120.836 119.800 -0.002 0.000 2.248 1198 Q HA 0.681 4.907 4.340 -0.190 0.000 0.263 1198 Q C -2.499 173.477 176.000 -0.040 0.000 1.007 1198 Q CA -1.880 53.921 55.803 -0.004 0.000 0.877 1198 Q CB 1.613 30.375 28.738 0.041 0.000 1.315 1198 Q HN 0.052 nan 8.270 nan 0.000 0.454 1199 P HA 0.056 nan 4.420 nan 0.000 0.276 1199 P C 0.177 177.420 177.300 -0.095 0.000 1.252 1199 P CA -0.469 62.593 63.100 -0.064 0.000 0.802 1199 P CB 0.771 32.443 31.700 -0.046 0.000 1.035 1200 M N 1.112 120.637 119.600 -0.125 0.000 2.195 1200 M HA -0.183 4.182 4.480 -0.190 0.000 0.260 1200 M C 1.028 177.241 176.300 -0.145 0.000 1.066 1200 M CA 1.906 57.103 55.300 -0.173 0.000 1.089 1200 M CB -1.284 31.226 32.600 -0.151 0.000 1.377 1200 M HN 0.237 nan 8.290 nan 0.000 0.411 1201 D N -0.253 120.086 120.400 -0.102 0.000 2.178 1201 D HA -0.136 4.390 4.640 -0.190 0.000 0.201 1201 D C 1.914 178.142 176.300 -0.120 0.000 0.980 1201 D CA 1.055 54.994 54.000 -0.101 0.000 0.842 1201 D CB -0.169 40.588 40.800 -0.071 0.000 0.948 1201 D HN 0.427 nan 8.370 nan 0.000 0.472 1202 E N 0.163 120.319 120.200 -0.072 0.000 2.152 1202 E HA -0.037 4.199 4.350 -0.190 0.000 0.192 1202 E C 2.392 178.965 176.600 -0.045 0.000 0.983 1202 E CA 0.240 56.636 56.400 -0.006 0.000 0.818 1202 E CB -0.012 29.750 29.700 0.104 0.000 0.758 1202 E HN 0.430 nan 8.360 nan 0.000 0.467 1203 I N 0.728 121.236 120.570 -0.104 0.000 2.353 1203 I HA -0.194 3.862 4.170 -0.190 0.000 0.248 1203 I C 2.389 178.416 176.117 -0.150 0.000 1.119 1203 I CA 0.779 62.003 61.300 -0.127 0.000 1.417 1203 I CB -0.227 37.588 38.000 -0.310 0.000 1.078 1203 I HN -0.024 nan 8.210 nan 0.000 0.421 1204 R N 1.210 121.601 120.500 -0.181 0.000 2.096 1204 R HA -0.139 4.087 4.340 -0.190 0.000 0.235 1204 R C 2.136 178.295 176.300 -0.236 0.000 1.127 1204 R CA 1.231 57.227 56.100 -0.172 0.000 0.968 1204 R CB -0.241 29.967 30.300 -0.153 0.000 0.861 1204 R HN 0.386 nan 8.270 nan 0.000 0.440 1205 K N -0.871 119.300 120.400 -0.382 0.000 2.211 1205 K HA -0.021 4.185 4.320 -0.190 0.000 0.201 1205 K C 0.816 177.012 176.600 -0.672 0.000 1.052 1205 K CA 0.974 56.877 56.287 -0.640 0.000 0.973 1205 K CB 0.335 32.208 32.500 -1.045 0.000 0.766 1205 K HN 0.209 nan 8.250 nan 0.000 0.466 1206 Y N -1.681 118.579 120.300 -0.066 0.000 2.432 1206 Y HA 0.295 4.731 4.550 -0.190 0.000 0.252 1206 Y C 1.427 177.291 175.900 -0.061 0.000 1.097 1206 Y CA -0.438 57.627 58.100 -0.058 0.000 1.250 1206 Y CB 1.138 39.589 38.460 -0.014 0.000 1.245 1206 Y HN -0.010 nan 8.280 nan 0.000 0.522 1207 G N -0.708 108.120 108.800 0.046 0.000 4.110 1207 G HA2 0.238 4.084 3.960 -0.190 0.000 0.292 1207 G HA3 0.238 4.084 3.960 -0.190 0.000 0.292 1207 G C -0.337 174.612 174.900 0.082 0.000 1.020 1207 G CA -0.124 45.042 45.100 0.111 0.000 0.808 1207 G HN 0.026 nan 8.290 nan 0.000 0.474 1208 S N 0.274 115.885 115.700 -0.149 0.000 2.541 1208 S HA 0.775 5.131 4.470 -0.190 0.000 0.283 1208 S C -1.123 173.296 174.600 -0.302 0.000 1.196 1208 S CA -0.196 57.967 58.200 -0.062 0.000 1.062 1208 S CB 1.035 64.201 63.200 -0.056 0.000 1.009 1208 S HN 0.188 nan 8.310 nan 0.000 0.502 1209 F N 1.273 121.289 119.950 0.111 0.000 2.576 1209 F HA 0.568 4.981 4.527 -0.190 0.000 0.313 1209 F C -0.228 175.649 175.800 0.129 0.000 1.078 1209 F CA -0.867 57.217 58.000 0.140 0.000 0.921 1209 F CB 1.158 40.286 39.000 0.214 0.000 1.232 1209 F HN 0.316 nan 8.300 nan 0.000 0.459 1210 I N 3.869 124.658 120.570 0.365 0.000 2.321 1210 I HA 0.382 4.438 4.170 -0.190 0.000 0.291 1210 I C -0.417 175.943 176.117 0.405 0.000 0.998 1210 I CA -0.347 61.135 61.300 0.303 0.000 1.227 1210 I CB 1.313 39.467 38.000 0.256 0.000 1.368 1210 I HN 0.497 nan 8.210 nan 0.000 0.466 1211 I N 5.457 126.206 120.570 0.298 0.000 2.566 1211 I HA 0.403 4.459 4.170 -0.190 0.000 0.303 1211 I C -0.622 175.660 176.117 0.274 0.000 0.983 1211 I CA -0.409 61.059 61.300 0.280 0.000 1.235 1211 I CB 1.534 39.640 38.000 0.177 0.000 1.386 1211 I HN 0.548 nan 8.210 nan 0.000 0.494 1212 Q N 7.463 127.434 119.800 0.286 0.000 2.289 1212 Q HA 0.503 4.729 4.340 -0.190 0.000 0.270 1212 Q C -2.671 173.437 176.000 0.180 0.000 1.038 1212 Q CA -1.865 54.087 55.803 0.249 0.000 0.812 1212 Q CB 2.544 31.509 28.738 0.379 0.000 1.300 1212 Q HN 0.228 nan 8.270 nan 0.000 0.427 1213 P HA 0.100 nan 4.420 nan 0.000 0.271 1213 P C -0.727 176.630 177.300 0.096 0.000 1.218 1213 P CA -0.167 62.995 63.100 0.103 0.000 0.780 1213 P CB 0.878 32.623 31.700 0.074 0.000 0.901 1214 C N 4.254 123.600 119.300 0.077 0.000 3.233 1214 C HA 0.357 4.703 4.460 -0.190 0.000 0.299 1214 C C -0.541 174.480 174.990 0.052 0.000 1.060 1214 C CA -0.527 58.495 59.018 0.007 0.000 1.382 1214 C CB -1.492 26.143 27.740 -0.176 0.000 1.828 1214 C HN 0.554 nan 8.230 nan 0.000 0.530 1215 N N 2.533 121.278 118.700 0.075 0.000 2.456 1215 N HA 0.751 5.377 4.740 -0.190 0.000 0.296 1215 N C -0.170 175.322 175.510 -0.031 0.000 1.102 1215 N CA -0.210 52.878 53.050 0.064 0.000 0.924 1215 N CB 1.879 40.441 38.487 0.125 0.000 1.186 1215 N HN 0.756 nan 8.380 nan 0.000 0.492 1216 T N -2.256 112.174 114.554 -0.207 0.000 2.865 1216 T HA 0.229 4.465 4.350 -0.190 0.000 0.294 1216 T C 0.490 175.056 174.700 -0.223 0.000 1.119 1216 T CA -0.808 61.153 62.100 -0.232 0.000 1.007 1216 T CB 0.802 69.377 68.868 -0.488 0.000 1.225 1216 T HN 0.396 nan 8.240 nan 0.000 0.515 1217 F N 1.130 120.965 119.950 -0.191 0.000 2.192 1217 F HA -0.080 4.332 4.527 -0.191 0.000 0.301 1217 F C 1.549 177.243 175.800 -0.177 0.000 1.079 1217 F CA 1.839 59.762 58.000 -0.128 0.000 1.303 1217 F CB -0.249 38.705 39.000 -0.076 0.000 1.024 1217 F HN 0.569 nan 8.300 nan 0.000 0.494 1218 D N -1.380 118.836 120.400 -0.307 0.000 2.289 1218 D HA 0.008 4.534 4.640 -0.190 0.000 0.207 1218 D C -0.436 175.678 176.300 -0.310 0.000 0.966 1218 D CA 1.134 54.950 54.000 -0.306 0.000 0.868 1218 D CB 0.126 40.890 40.800 -0.060 0.000 0.943 1218 D HN 0.488 nan 8.370 nan 0.000 0.514 1219 Y N -3.303 116.863 120.300 -0.223 0.000 2.702 1219 Y HA 0.423 4.858 4.550 -0.190 0.000 0.336 1219 Y C -1.749 173.991 175.900 -0.267 0.000 1.203 1219 Y CA -1.606 56.337 58.100 -0.262 0.000 1.072 1219 Y CB 0.252 38.703 38.460 -0.015 0.000 1.327 1219 Y HN -0.335 nan 8.280 nan 0.000 0.456 1220 Y N 1.775 122.222 120.300 0.244 0.000 2.504 1220 Y HA 0.781 5.216 4.550 -0.192 0.000 0.339 1220 Y C 0.398 176.446 175.900 0.246 0.000 0.974 1220 Y CA -0.164 58.053 58.100 0.196 0.000 1.232 1220 Y CB 1.000 39.531 38.460 0.118 0.000 1.108 1220 Y HN 0.915 nan 8.280 nan 0.000 0.509 1221 A N 1.904 124.953 122.820 0.382 0.000 2.470 1221 A HA 0.947 5.153 4.320 -0.190 0.000 0.271 1221 A C -0.464 177.222 177.584 0.169 0.000 1.269 1221 A CA -0.334 51.835 52.037 0.220 0.000 0.828 1221 A CB 1.376 20.439 19.000 0.104 0.000 1.374 1221 A HN 0.600 nan 8.150 nan 0.000 0.454 1222 S N -1.348 114.433 115.700 0.134 0.000 2.596 1222 S HA 0.679 5.035 4.470 -0.190 0.000 0.270 1222 S C -1.326 173.361 174.600 0.146 0.000 1.155 1222 S CA -0.679 57.617 58.200 0.160 0.000 0.827 1222 S CB 1.399 64.763 63.200 0.274 0.000 1.130 1222 S HN 0.746 nan 8.310 nan 0.000 0.467 1223 Q N 0.136 120.019 119.800 0.138 0.000 2.345 1223 Q HA 0.684 4.910 4.340 -0.190 0.000 0.268 1223 Q C -1.558 174.435 176.000 -0.011 0.000 1.054 1223 Q CA -0.764 55.073 55.803 0.058 0.000 0.835 1223 Q CB 2.149 30.900 28.738 0.022 0.000 1.339 1223 Q HN 0.675 nan 8.270 nan 0.000 0.447 1224 L N 2.682 123.793 121.223 -0.187 0.000 2.376 1224 L HA 0.539 4.765 4.340 -0.190 0.000 0.275 1224 L C -1.271 175.443 176.870 -0.261 0.000 0.987 1224 L CA -0.485 54.303 54.840 -0.086 0.000 0.828 1224 L CB 1.035 43.027 42.059 -0.111 0.000 1.249 1224 L HN 0.507 nan 8.230 nan 0.000 0.409 1225 F N 3.002 123.137 119.950 0.308 0.000 2.443 1225 F HA 0.406 4.819 4.527 -0.190 0.000 0.335 1225 F C 0.109 176.011 175.800 0.169 0.000 1.104 1225 F CA -0.936 57.172 58.000 0.182 0.000 1.013 1225 F CB 1.555 40.622 39.000 0.111 0.000 1.136 1225 F HN 0.202 nan 8.300 nan 0.000 0.470 1226 L N 3.037 124.341 121.223 0.135 0.000 2.534 1226 L HA 0.187 4.413 4.340 -0.190 0.000 0.271 1226 L C 0.380 177.202 176.870 -0.079 0.000 1.178 1226 L CA 0.386 55.123 54.840 -0.172 0.000 0.907 1226 L CB 0.087 42.066 42.059 -0.133 0.000 1.164 1226 L HN 0.643 nan 8.230 nan 0.000 0.482 1227 S N 3.625 119.223 115.700 -0.170 0.000 2.584 1227 S HA 0.364 4.720 4.470 -0.190 0.000 0.273 1227 S C 0.060 174.606 174.600 -0.090 0.000 1.311 1227 S CA -0.423 57.734 58.200 -0.071 0.000 1.034 1227 S CB 0.854 64.018 63.200 -0.059 0.000 0.939 1227 S HN 0.848 nan 8.310 nan 0.000 0.513 1228 S N 3.168 118.836 115.700 -0.052 0.000 2.410 1228 S HA 0.302 4.658 4.470 -0.190 0.000 0.304 1228 S C 0.195 174.750 174.600 -0.075 0.000 1.095 1228 S CA -0.377 57.786 58.200 -0.061 0.000 1.089 1228 S CB -1.080 62.100 63.200 -0.034 0.000 0.968 1228 S HN 0.955 nan 8.310 nan 0.000 0.480 1229 N N 3.513 122.147 118.700 -0.109 0.000 2.721 1229 N HA -0.265 4.361 4.740 -0.190 0.000 0.249 1229 N C 0.376 175.832 175.510 -0.090 0.000 1.072 1229 N CA 0.659 53.641 53.050 -0.114 0.000 0.710 1229 N CB -1.256 37.176 38.487 -0.092 0.000 0.993 1229 N HN 1.228 nan 8.380 nan 0.000 0.547 1230 A N -2.972 119.796 122.820 -0.085 0.000 2.905 1230 A HA -0.251 3.955 4.320 -0.190 0.000 0.260 1230 A C 0.946 178.509 177.584 -0.034 0.000 1.398 1230 A CA 1.753 53.758 52.037 -0.055 0.000 0.840 1230 A CB -2.454 16.512 19.000 -0.057 0.000 1.059 1230 A HN 0.937 nan 8.150 nan 0.000 0.647 1231 T N -3.858 110.676 114.554 -0.032 0.000 2.893 1231 T HA 0.637 4.873 4.350 -0.190 0.000 0.279 1231 T C 1.077 175.775 174.700 -0.003 0.000 0.991 1231 T CA 0.413 62.501 62.100 -0.019 0.000 0.950 1231 T CB 1.172 70.025 68.868 -0.024 0.000 1.223 1231 T HN 1.285 nan 8.240 nan 0.000 0.585 1232 T N -1.370 113.184 114.554 0.000 0.000 3.219 1232 T HA 0.169 4.404 4.350 -0.190 0.000 0.249 1232 T C 0.276 174.978 174.700 0.003 0.000 1.099 1232 T CA -0.586 61.520 62.100 0.011 0.000 0.988 1232 T CB -0.696 68.175 68.868 0.005 0.000 0.999 1232 T HN 0.465 nan 8.240 nan 0.000 0.550 1233 N N 3.157 121.857 118.700 -0.001 0.000 2.401 1233 N HA 0.217 4.843 4.740 -0.190 0.000 0.255 1233 N C -0.080 175.440 175.510 0.017 0.000 1.110 1233 N CA -0.166 52.883 53.050 -0.001 0.000 0.949 1233 N CB 0.919 39.401 38.487 -0.008 0.000 1.110 1233 N HN 0.461 nan 8.380 nan 0.000 0.490 1234 R N 1.944 122.463 120.500 0.031 0.000 2.539 1234 R HA 0.279 4.505 4.340 -0.190 0.000 0.275 1234 R C 0.931 177.299 176.300 0.114 0.000 1.077 1234 R CA -0.108 56.046 56.100 0.090 0.000 1.097 1234 R CB 1.129 31.483 30.300 0.089 0.000 1.018 1234 R HN 0.511 nan 8.270 nan 0.000 0.483 1235 L N 0.365 121.666 121.223 0.129 0.000 3.039 1235 L HA 0.350 4.576 4.340 -0.190 0.000 0.269 1235 L C 0.676 177.642 176.870 0.160 0.000 1.169 1235 L CA -0.129 54.781 54.840 0.117 0.000 0.986 1235 L CB 1.181 43.263 42.059 0.040 0.000 1.377 1235 L HN 0.914 nan 8.230 nan 0.000 0.575 1236 G N 0.164 109.019 108.800 0.091 0.000 2.328 1236 G HA2 0.361 4.207 3.960 -0.190 0.000 0.295 1236 G HA3 0.361 4.207 3.960 -0.190 0.000 0.295 1236 G C -2.205 172.409 174.900 -0.477 0.000 1.413 1236 G CA -0.482 44.486 45.100 -0.221 0.000 0.817 1236 G HN -0.136 nan 8.290 nan 0.000 0.546 1237 I N -0.654 119.496 120.570 -0.701 0.000 2.910 1237 I HA 0.758 4.814 4.170 -0.190 0.000 0.310 1237 I C -0.945 175.093 176.117 -0.132 0.000 1.043 1237 I CA -1.365 59.660 61.300 -0.458 0.000 1.053 1237 I CB 1.974 39.672 38.000 -0.503 0.000 1.242 1237 I HN 0.538 nan 8.210 nan 0.000 0.452 1238 L N 5.312 126.513 121.223 -0.037 0.000 2.272 1238 L HA 0.507 4.732 4.340 -0.190 0.000 0.289 1238 L C -0.373 176.686 176.870 0.314 0.000 1.032 1238 L CA 0.769 55.690 54.840 0.134 0.000 0.810 1238 L CB 1.142 43.213 42.059 0.020 0.000 1.205 1238 L HN 0.623 nan 8.230 nan 0.000 0.422 1239 S N 4.523 120.400 115.700 0.295 0.000 2.921 1239 S HA 0.746 5.101 4.470 -0.190 0.000 0.315 1239 S C -1.086 173.722 174.600 0.347 0.000 1.087 1239 S CA -0.630 57.737 58.200 0.277 0.000 0.877 1239 S CB 0.875 64.170 63.200 0.158 0.000 1.340 1239 S HN 0.661 nan 8.310 nan 0.000 0.622 1240 I N -0.424 120.254 120.570 0.181 0.000 2.913 1240 I HA 0.721 4.777 4.170 -0.190 0.000 0.302 1240 I C -0.660 175.502 176.117 0.076 0.000 1.246 1240 I CA -0.127 61.253 61.300 0.133 0.000 1.010 1240 I CB 2.029 39.955 38.000 -0.122 0.000 1.259 1240 I HN 0.891 nan 8.210 nan 0.000 0.434 1241 G N 2.444 111.279 108.800 0.059 0.000 2.368 1241 G HA2 0.366 4.212 3.960 -0.190 0.000 0.293 1241 G HA3 0.366 4.212 3.960 -0.190 0.000 0.293 1241 G C -2.046 172.719 174.900 -0.224 0.000 1.467 1241 G CA -0.458 44.581 45.100 -0.103 0.000 0.804 1241 G HN 0.524 nan 8.290 nan 0.000 0.535 1242 S N -0.673 114.767 115.700 -0.434 0.000 2.489 1242 S HA 0.841 5.197 4.470 -0.190 0.000 0.291 1242 S C -1.252 172.999 174.600 -0.582 0.000 1.151 1242 S CA -0.463 57.564 58.200 -0.288 0.000 1.082 1242 S CB 0.394 63.508 63.200 -0.144 0.000 1.019 1242 S HN 0.411 nan 8.310 nan 0.000 0.492 1243 Y N 0.875 121.311 120.300 0.227 0.000 2.581 1243 Y HA 0.486 4.921 4.550 -0.190 0.000 0.345 1243 Y C 0.123 176.248 175.900 0.375 0.000 1.036 1243 Y CA -0.955 57.306 58.100 0.269 0.000 1.042 1243 Y CB 1.882 40.501 38.460 0.265 0.000 1.289 1243 Y HN 0.501 nan 8.280 nan 0.000 0.471 1244 S N 3.409 119.394 115.700 0.475 0.000 2.461 1244 S HA 0.752 5.107 4.470 -0.190 0.000 0.322 1244 S C -1.019 173.906 174.600 0.541 0.000 1.063 1244 S CA -0.375 58.046 58.200 0.368 0.000 1.120 1244 S CB -0.801 62.499 63.200 0.167 0.000 0.968 1244 S HN 0.587 nan 8.310 nan 0.000 0.467 1245 F N 1.995 122.109 119.950 0.274 0.000 3.360 1245 F HA 0.690 5.103 4.527 -0.190 0.000 0.327 1245 F C -1.439 174.581 175.800 0.367 0.000 1.186 1245 F CA -1.490 56.663 58.000 0.255 0.000 0.903 1245 F CB 0.840 39.964 39.000 0.207 0.000 1.533 1245 F HN 0.192 nan 8.300 nan 0.000 0.515 1246 K N 1.281 121.869 120.400 0.312 0.000 2.318 1246 K HA 0.795 5.001 4.320 -0.190 0.000 0.249 1246 K C -1.564 175.050 176.600 0.023 0.000 0.942 1246 K CA -0.728 55.672 56.287 0.188 0.000 0.808 1246 K CB 2.834 35.473 32.500 0.232 0.000 1.189 1246 K HN 0.550 nan 8.250 nan 0.000 0.428 1247 L N 0.425 121.590 121.223 -0.097 0.000 2.359 1247 L HA 0.469 4.695 4.340 -0.190 0.000 0.256 1247 L C 0.850 177.649 176.870 -0.118 0.000 1.026 1247 L CA -0.634 54.082 54.840 -0.206 0.000 0.828 1247 L CB 1.970 43.678 42.059 -0.584 0.000 1.406 1247 L HN 0.951 nan 8.230 nan 0.000 0.413 1248 G N 1.649 110.378 108.800 -0.118 0.000 2.672 1248 G HA2 -0.393 3.453 3.960 -0.190 0.000 0.324 1248 G HA3 -0.393 3.453 3.960 -0.190 0.000 0.324 1248 G C 0.325 175.211 174.900 -0.024 0.000 1.286 1248 G CA 0.840 45.893 45.100 -0.079 0.000 1.004 1248 G HN 0.981 nan 8.290 nan 0.000 0.548 1249 D N 1.337 121.727 120.400 -0.016 0.000 2.370 1249 D HA 0.244 4.769 4.640 -0.190 0.000 0.230 1249 D C 0.091 176.431 176.300 0.067 0.000 1.143 1249 D CA 0.191 54.199 54.000 0.012 0.000 0.834 1249 D CB -0.185 40.607 40.800 -0.013 0.000 0.944 1249 D HN 0.252 nan 8.370 nan 0.000 0.504 1250 D N 0.572 121.017 120.400 0.076 0.000 2.472 1250 D HA -0.013 4.513 4.640 -0.190 0.000 0.248 1250 D C -0.059 176.389 176.300 0.247 0.000 1.174 1250 D CA 0.204 54.292 54.000 0.147 0.000 0.883 1250 D CB 0.598 41.510 40.800 0.186 0.000 1.149 1250 D HN 0.300 nan 8.370 nan 0.000 0.488 1251 Y N 2.098 122.445 120.300 0.078 0.000 3.031 1251 Y HA 0.234 4.670 4.550 -0.190 0.000 0.193 1251 Y C 2.035 177.913 175.900 -0.035 0.000 0.940 1251 Y CA 0.334 58.445 58.100 0.018 0.000 1.653 1251 Y CB -0.113 38.337 38.460 -0.016 0.000 1.333 1251 Y HN 0.370 nan 8.280 nan 0.000 0.451 1252 A N 0.519 123.162 122.820 -0.296 0.000 1.933 1252 A HA -0.001 4.205 4.320 -0.190 0.000 0.218 1252 A C 0.089 177.284 177.584 -0.649 0.000 1.175 1252 A CA 1.165 52.803 52.037 -0.665 0.000 0.628 1252 A CB -0.898 17.608 19.000 -0.824 0.000 0.814 1252 A HN 0.343 nan 8.150 nan 0.000 0.444 1253 F N -1.255 118.702 119.950 0.012 0.000 2.613 1253 F HA 0.466 4.879 4.527 -0.190 0.000 0.342 1253 F C 0.218 175.926 175.800 -0.153 0.000 1.066 1253 F CA -1.603 56.336 58.000 -0.103 0.000 1.002 1253 F CB 0.642 39.512 39.000 -0.217 0.000 1.319 1253 F HN -0.087 nan 8.300 nan 0.000 0.495 1254 N N 0.094 118.773 118.700 -0.034 0.000 2.443 1254 N HA 0.285 4.911 4.740 -0.190 0.000 0.295 1254 N C -1.166 174.095 175.510 -0.417 0.000 1.076 1254 N CA -0.438 52.580 53.050 -0.055 0.000 0.919 1254 N CB 1.091 39.609 38.487 0.051 0.000 1.176 1254 N HN 0.528 nan 8.380 nan 0.000 0.487 1255 H N 0.124 119.179 119.070 -0.025 0.000 2.690 1255 H HA 0.233 4.675 4.556 -0.190 0.000 0.368 1255 H C -0.386 174.673 175.328 -0.448 0.000 1.150 1255 H CA -0.555 55.317 56.048 -0.293 0.000 1.174 1255 H CB 1.998 31.456 29.762 -0.507 0.000 1.684 1255 H HN 0.333 nan 8.280 nan 0.000 0.538 1256 E N 2.134 122.155 120.200 -0.299 0.000 2.324 1256 E HA 0.105 4.341 4.350 -0.190 0.000 0.271 1256 E C -0.905 175.465 176.600 -0.384 0.000 1.028 1256 E CA 0.235 56.515 56.400 -0.199 0.000 0.890 1256 E CB 0.574 30.201 29.700 -0.121 0.000 1.004 1256 E HN 0.401 nan 8.360 nan 0.000 0.431 1257 Y N 1.549 121.898 120.300 0.082 0.000 2.346 1257 Y HA 0.190 4.626 4.550 -0.190 0.000 0.332 1257 Y C -0.085 175.902 175.900 0.144 0.000 0.985 1257 Y CA -0.989 57.149 58.100 0.064 0.000 1.112 1257 Y CB 1.310 39.755 38.460 -0.025 0.000 1.170 1257 Y HN 0.343 nan 8.280 nan 0.000 0.447 1258 L N 6.720 128.082 121.223 0.232 0.000 2.385 1258 L HA 0.511 4.737 4.340 -0.190 0.000 0.281 1258 L C -0.410 176.669 176.870 0.347 0.000 1.106 1258 L CA -0.147 54.789 54.840 0.159 0.000 0.856 1258 L CB -0.687 41.375 42.059 0.005 0.000 1.186 1258 L HN 0.545 nan 8.230 nan 0.000 0.453 1259 I N 3.422 124.233 120.570 0.403 0.000 3.002 1259 I HA 0.726 4.782 4.170 -0.190 0.000 0.310 1259 I C -2.592 173.801 176.117 0.460 0.000 1.087 1259 I CA -2.395 59.164 61.300 0.433 0.000 1.017 1259 I CB 2.362 40.626 38.000 0.440 0.000 1.226 1259 I HN 0.391 nan 8.210 nan 0.000 0.443 1260 P HA 0.218 nan 4.420 nan 0.000 0.287 1260 P C -0.903 176.532 177.300 0.225 0.000 1.281 1260 P CA -0.128 63.202 63.100 0.383 0.000 0.781 1260 P CB 2.022 33.852 31.700 0.218 0.000 0.903 1261 V N 5.237 125.283 119.914 0.219 0.000 3.040 1261 V HA 0.516 4.522 4.120 -0.190 0.000 0.312 1261 V C -0.641 175.510 176.094 0.096 0.000 1.115 1261 V CA -1.312 61.046 62.300 0.097 0.000 0.998 1261 V CB 2.236 34.105 31.823 0.076 0.000 1.042 1261 V HN 0.318 nan 8.190 nan 0.000 0.433 1262 I N 4.139 124.727 120.570 0.032 0.000 2.378 1262 I HA 0.473 4.529 4.170 -0.190 0.000 0.291 1262 I C -0.599 175.532 176.117 0.024 0.000 0.992 1262 I CA -0.867 60.460 61.300 0.044 0.000 1.154 1262 I CB 1.820 39.846 38.000 0.044 0.000 1.315 1262 I HN 0.461 nan 8.210 nan 0.000 0.448 1263 K N 6.882 127.307 120.400 0.042 0.000 2.267 1263 K HA 0.331 4.537 4.320 -0.190 0.000 0.282 1263 K C 0.356 177.019 176.600 0.104 0.000 1.078 1263 K CA -0.328 56.016 56.287 0.095 0.000 0.903 1263 K CB 0.365 32.961 32.500 0.161 0.000 1.111 1263 K HN 0.384 nan 8.250 nan 0.000 0.475 1264 I N 2.442 123.080 120.570 0.114 0.000 2.170 1264 I HA -0.161 3.895 4.170 -0.190 0.000 0.208 1264 I C 1.898 178.147 176.117 0.220 0.000 1.047 1264 I CA 1.133 62.506 61.300 0.121 0.000 1.354 1264 I CB -0.766 37.279 38.000 0.074 0.000 1.139 1264 I HN 0.829 nan 8.210 nan 0.000 0.397 1265 E N -0.316 119.955 120.200 0.117 0.000 2.107 1265 E HA -0.155 4.081 4.350 -0.190 0.000 0.191 1265 E C -0.107 176.338 176.600 -0.259 0.000 0.982 1265 E CA 0.646 56.995 56.400 -0.085 0.000 0.809 1265 E CB 0.103 29.604 29.700 -0.332 0.000 0.756 1265 E HN 0.535 nan 8.360 nan 0.000 0.459 1266 H N -0.808 118.357 119.070 0.158 0.000 2.595 1266 H HA 0.172 4.614 4.556 -0.190 0.000 0.313 1266 H C -0.966 174.457 175.328 0.158 0.000 1.023 1266 H CA -0.506 55.572 56.048 0.049 0.000 1.218 1266 H CB 0.500 30.284 29.762 0.037 0.000 1.403 1266 H HN 0.156 nan 8.280 nan 0.000 0.477 1267 Y N -0.373 120.024 120.300 0.161 0.000 2.863 1267 Y HA 0.514 4.950 4.550 -0.190 0.000 0.254 1267 Y C 1.224 177.212 175.900 0.146 0.000 1.124 1267 Y CA -0.432 57.759 58.100 0.152 0.000 1.203 1267 Y CB -0.471 38.085 38.460 0.160 0.000 1.269 1267 Y HN 0.553 nan 8.280 nan 0.000 0.586 1268 A N 0.434 123.237 122.820 -0.027 0.000 2.032 1268 A HA -0.168 4.038 4.320 -0.190 0.000 0.221 1268 A C 2.216 179.866 177.584 0.110 0.000 1.165 1268 A CA 2.336 54.382 52.037 0.016 0.000 0.645 1268 A CB -0.722 18.267 19.000 -0.018 0.000 0.807 1268 A HN 0.489 nan 8.150 nan 0.000 0.453 1269 S N -0.757 115.018 115.700 0.124 0.000 2.377 1269 S HA 0.057 4.413 4.470 -0.190 0.000 0.223 1269 S C 1.749 176.432 174.600 0.138 0.000 1.030 1269 S CA 0.953 59.221 58.200 0.114 0.000 0.970 1269 S CB -0.305 62.951 63.200 0.093 0.000 0.830 1269 S HN 0.537 nan 8.310 nan 0.000 0.473 1270 L N 1.086 122.422 121.223 0.189 0.000 2.201 1270 L HA -0.049 4.177 4.340 -0.190 0.000 0.212 1270 L C 2.167 179.162 176.870 0.207 0.000 1.105 1270 L CA 0.392 55.339 54.840 0.179 0.000 0.775 1270 L CB -0.408 41.774 42.059 0.205 0.000 0.913 1270 L HN 0.277 nan 8.230 nan 0.000 0.440 1271 L N -0.086 121.314 121.223 0.295 0.000 2.197 1271 L HA -0.238 3.988 4.340 -0.190 0.000 0.215 1271 L C 2.232 179.252 176.870 0.251 0.000 1.095 1271 L CA 1.817 56.858 54.840 0.334 0.000 0.764 1271 L CB -0.414 41.842 42.059 0.328 0.000 0.897 1271 L HN 0.239 nan 8.230 nan 0.000 0.436 1272 E N -1.477 118.828 120.200 0.176 0.000 2.474 1272 E HA 0.148 4.384 4.350 -0.190 0.000 0.195 1272 E C 0.589 177.226 176.600 0.062 0.000 1.039 1272 E CA 0.073 56.553 56.400 0.133 0.000 0.881 1272 E CB 0.297 30.056 29.700 0.098 0.000 0.970 1272 E HN 0.327 nan 8.360 nan 0.000 0.486 1273 S N 0.536 116.251 115.700 0.025 0.000 2.554 1273 S HA 0.138 4.494 4.470 -0.190 0.000 0.278 1273 S C 1.363 175.758 174.600 -0.342 0.000 1.242 1273 S CA -0.205 57.937 58.200 -0.096 0.000 1.051 1273 S CB 1.091 64.262 63.200 -0.047 0.000 0.986 1273 S HN 0.203 nan 8.310 nan 0.000 0.502 1274 T N 0.895 115.175 114.554 -0.456 0.000 3.051 1274 T HA -0.084 4.152 4.350 -0.190 0.000 0.269 1274 T C 1.523 175.916 174.700 -0.511 0.000 1.127 1274 T CA 1.036 62.687 62.100 -0.748 0.000 1.107 1274 T CB -0.566 68.084 68.868 -0.364 0.000 0.898 1274 T HN 0.621 nan 8.240 nan 0.000 0.517 1275 S N 1.274 116.779 115.700 -0.325 0.000 2.650 1275 S HA 0.037 4.393 4.470 -0.190 0.000 0.219 1275 S C 1.590 176.011 174.600 -0.298 0.000 0.960 1275 S CA 0.329 58.362 58.200 -0.277 0.000 0.925 1275 S CB -0.767 62.362 63.200 -0.118 0.000 0.775 1275 S HN 0.730 nan 8.310 nan 0.000 0.525 1276 T N -2.601 111.818 114.554 -0.225 0.000 3.040 1276 T HA 0.275 4.511 4.350 -0.190 0.000 0.266 1276 T C -0.267 174.426 174.700 -0.012 0.000 1.005 1276 T CA -0.408 61.656 62.100 -0.060 0.000 0.906 1276 T CB -0.315 68.606 68.868 0.089 0.000 1.082 1276 T HN 0.347 nan 8.240 nan 0.000 0.531 1277 H N 0.948 119.772 119.070 -0.411 0.000 2.846 1277 H HA 0.452 4.894 4.556 -0.190 0.000 0.278 1277 H C -1.162 173.787 175.328 -0.632 0.000 1.117 1277 H CA -1.798 54.044 56.048 -0.345 0.000 1.406 1277 H CB -0.209 29.398 29.762 -0.257 0.000 1.445 1277 H HN 0.434 nan 8.280 nan 0.000 0.469 1278 W N 3.096 124.303 121.300 -0.156 0.000 2.478 1278 W HA 0.519 5.065 4.660 -0.191 0.000 0.318 1278 W C -0.377 175.880 176.519 -0.437 0.000 1.062 1278 W CA -0.623 56.510 57.345 -0.353 0.000 1.210 1278 W CB 1.246 30.459 29.460 -0.411 0.000 1.325 1278 W HN 0.214 nan 8.180 nan 0.000 0.496 1279 V N 3.509 123.198 119.914 -0.374 0.000 2.769 1279 V HA 0.538 4.544 4.120 -0.190 0.000 0.312 1279 V C -0.972 174.706 176.094 -0.692 0.000 1.058 1279 V CA -1.106 60.961 62.300 -0.389 0.000 0.952 1279 V CB 1.651 33.238 31.823 -0.393 0.000 1.019 1279 V HN 0.238 nan 8.190 nan 0.000 0.445 1280 F N 2.313 122.144 119.950 -0.198 0.000 2.553 1280 F HA 0.526 4.938 4.527 -0.191 0.000 0.335 1280 F C -0.134 175.532 175.800 -0.224 0.000 1.148 1280 F CA -0.758 57.095 58.000 -0.245 0.000 0.963 1280 F CB 1.702 40.389 39.000 -0.521 0.000 1.217 1280 F HN 0.101 nan 8.300 nan 0.000 0.441 1281 V N 5.279 125.174 119.914 -0.031 0.000 2.432 1281 V HA 0.335 4.341 4.120 -0.190 0.000 0.275 1281 V C -1.981 174.312 176.094 0.331 0.000 1.043 1281 V CA -2.003 60.242 62.300 -0.092 0.000 0.925 1281 V CB 1.073 32.713 31.823 -0.305 0.000 0.985 1281 V HN 0.425 nan 8.190 nan 0.000 0.466 1282 P HA 0.109 nan 4.420 nan 0.000 0.267 1282 P C 0.448 177.902 177.300 0.256 0.000 1.205 1282 P CA 0.033 63.309 63.100 0.294 0.000 0.765 1282 P CB 1.350 33.209 31.700 0.265 0.000 0.828 1283 A N 3.424 126.296 122.820 0.086 0.000 1.898 1283 A HA -0.045 4.161 4.320 -0.190 0.000 0.216 1283 A C 1.081 178.763 177.584 0.165 0.000 1.181 1283 A CA 1.023 53.147 52.037 0.145 0.000 0.620 1283 A CB -1.183 17.739 19.000 -0.131 0.000 0.819 1283 A HN 0.626 nan 8.150 nan 0.000 0.442 1284 S N 0.000 115.741 115.700 0.068 0.000 2.498 1284 S HA 0.000 4.356 4.470 -0.190 0.000 0.327 1284 S CA 0.000 58.248 58.200 0.079 0.000 1.107 1284 S CB 0.000 63.281 63.200 0.135 0.000 0.593 1284 S HN 0.000 nan 8.310 nan 0.000 0.517