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 1sdm_1_A DATA FIRST_RESID 889 DATA SEQUENCE KIRVYCRLRP LCEKEIIAKE RNAIRSVDEF TVEHLWKDDK AKQHMYDRVF DATA SEQUENCE DGNATQDDVF EDTKYLVQSA VDGYNVCIFA YGQTGSGKTF TIYGADSNPG DATA SEQUENCE LTPRAMSELF RIMKKDSNKF SFSLKAYMVE LYQDTLVDLL LPKQAKRLKL DATA SEQUENCE DIKKDSKGMV SVENVTVVSI STYEELKTII QRGSEQRHTT GTLMNEQSSR DATA SEQUENCE SHLIVSVIIE STNLQTQAIA RGKLSFVDLA GSERVKKXXX XXXXXXEAQS DATA SEQUENCE INKSLSALGD VISALSSGNQ HIPYRNHKLT MLMSDSLGGN AKTLMFVNIS DATA SEQUENCE PAESNLDETH NSLTYASRVR SIVNDPSKNV SSKEVARLKK LVSYWXXXXX DATA SEQUENCE XXXXXXELEE IQDE 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 889 K HA 0.000 nan 4.320 nan 0.000 0.191 889 K C 0.000 176.592 176.600 -0.013 0.000 0.988 889 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 889 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 890 I N 3.894 124.462 120.570 -0.003 0.000 2.741 890 I HA 0.012 4.182 4.170 -0.000 0.000 0.288 890 I C 0.177 176.281 176.117 -0.022 0.000 1.192 890 I CA 0.049 61.346 61.300 -0.006 0.000 1.426 890 I CB 0.391 38.407 38.000 0.027 0.000 1.367 890 I HN 0.172 nan 8.210 nan 0.000 0.563 891 R N 4.613 125.075 120.500 -0.063 0.000 2.539 891 R HA 0.545 4.885 4.340 -0.000 0.000 0.275 891 R C -1.043 175.155 176.300 -0.170 0.000 1.077 891 R CA -0.334 55.709 56.100 -0.095 0.000 1.097 891 R CB 0.953 31.161 30.300 -0.154 0.000 1.018 891 R HN 0.382 nan 8.270 nan 0.000 0.483 892 V N 4.331 124.198 119.914 -0.079 0.000 2.612 892 V HA 0.346 4.466 4.120 -0.000 0.000 0.301 892 V C -1.376 174.783 176.094 0.110 0.000 1.059 892 V CA -0.855 61.394 62.300 -0.085 0.000 0.886 892 V CB 1.591 33.465 31.823 0.086 0.000 1.007 892 V HN 0.525 nan 8.190 nan 0.000 0.426 893 Y N 2.379 122.475 120.300 -0.340 0.000 2.377 893 Y HA 0.598 5.148 4.550 -0.000 0.000 0.339 893 Y C 0.360 176.097 175.900 -0.272 0.000 1.011 893 Y CA -1.611 56.314 58.100 -0.292 0.000 1.093 893 Y CB 1.748 39.921 38.460 -0.478 0.000 1.201 893 Y HN 0.711 nan 8.280 nan 0.000 0.455 894 C N 5.702 124.978 119.300 -0.041 0.000 2.319 894 C HA 0.745 5.205 4.460 -0.000 0.000 0.335 894 C C -0.063 175.029 174.990 0.169 0.000 1.274 894 C CA -0.595 58.350 59.018 -0.121 0.000 1.806 894 C CB -0.093 27.446 27.740 -0.335 0.000 2.329 894 C HN 0.964 nan 8.230 nan 0.000 0.524 895 R N 5.871 126.500 120.500 0.216 0.000 2.435 895 R HA 0.599 4.939 4.340 -0.000 0.000 0.308 895 R C -1.379 175.020 176.300 0.164 0.000 0.975 895 R CA -0.537 55.736 56.100 0.290 0.000 0.867 895 R CB 0.803 31.314 30.300 0.352 0.000 1.171 895 R HN 0.874 nan 8.270 nan 0.000 0.470 896 L N 4.383 125.691 121.223 0.143 0.000 2.399 896 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 896 L C 0.268 177.181 176.870 0.071 0.000 1.114 896 L CA -0.564 54.328 54.840 0.087 0.000 0.804 896 L CB 1.187 43.292 42.059 0.078 0.000 1.146 896 L HN 0.661 nan 8.230 nan 0.000 0.451 897 R N 2.130 122.647 120.500 0.028 0.000 2.854 897 R HA 0.666 5.006 4.340 -0.000 0.000 0.271 897 R C -2.852 173.436 176.300 -0.019 0.000 0.994 897 R CA -1.815 54.277 56.100 -0.015 0.000 0.945 897 R CB 1.314 31.574 30.300 -0.066 0.000 1.194 897 R HN 0.227 nan 8.270 nan 0.000 0.476 898 P HA 0.096 nan 4.420 nan 0.000 0.275 898 P C -0.388 176.891 177.300 -0.034 0.000 1.266 898 P CA -0.551 62.534 63.100 -0.025 0.000 0.793 898 P CB 0.707 32.390 31.700 -0.029 0.000 1.074 899 L N 0.336 121.546 121.223 -0.021 0.000 2.456 899 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 899 L C 1.209 178.058 176.870 -0.035 0.000 1.189 899 L CA -0.374 54.453 54.840 -0.022 0.000 0.846 899 L CB -0.030 42.024 42.059 -0.009 0.000 1.111 899 L HN 0.560 nan 8.230 nan 0.000 0.475 900 C N 0.310 119.586 119.300 -0.040 0.000 2.345 900 C HA 0.251 4.711 4.460 -0.000 0.000 0.369 900 C C 1.729 176.700 174.990 -0.031 0.000 1.273 900 C CA -0.777 58.213 59.018 -0.047 0.000 2.310 900 C CB 1.175 28.880 27.740 -0.059 0.000 2.219 900 C HN 1.012 nan 8.230 nan 0.000 0.587 901 E N 1.037 121.219 120.200 -0.030 0.000 2.033 901 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 901 E C 1.955 178.545 176.600 -0.017 0.000 1.011 901 E CA 2.031 58.419 56.400 -0.020 0.000 0.815 901 E CB -0.195 29.494 29.700 -0.018 0.000 0.755 901 E HN 0.708 nan 8.360 nan 0.000 0.451 902 K N 0.188 120.576 120.400 -0.019 0.000 2.074 902 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 902 K C 2.186 178.779 176.600 -0.012 0.000 1.048 902 K CA 1.986 58.263 56.287 -0.016 0.000 0.926 902 K CB -0.151 32.337 32.500 -0.019 0.000 0.713 902 K HN 0.278 nan 8.250 nan 0.000 0.444 903 E N 0.485 120.677 120.200 -0.014 0.000 2.152 903 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 903 E C 2.006 178.603 176.600 -0.005 0.000 0.983 903 E CA 0.760 57.155 56.400 -0.009 0.000 0.818 903 E CB -0.024 29.670 29.700 -0.010 0.000 0.758 903 E HN 0.308 nan 8.360 nan 0.000 0.467 904 I N 1.005 121.571 120.570 -0.007 0.000 2.353 904 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 904 I C 2.018 178.133 176.117 -0.003 0.000 1.119 904 I CA 0.513 61.810 61.300 -0.004 0.000 1.417 904 I CB -0.037 37.959 38.000 -0.006 0.000 1.078 904 I HN 0.130 nan 8.210 nan 0.000 0.421 905 I N 1.047 121.614 120.570 -0.005 0.000 2.493 905 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 905 I C 2.454 178.570 176.117 -0.002 0.000 1.160 905 I CA 1.110 62.408 61.300 -0.003 0.000 1.445 905 I CB -1.302 36.695 38.000 -0.005 0.000 1.086 905 I HN 0.139 nan 8.210 nan 0.000 0.433 906 A N 0.127 122.946 122.820 -0.002 0.000 2.278 906 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 906 A C 1.112 178.698 177.584 0.002 0.000 1.213 906 A CA -0.072 51.965 52.037 0.000 0.000 0.840 906 A CB -0.427 18.573 19.000 -0.000 0.000 0.866 906 A HN 0.411 nan 8.150 nan 0.000 0.489 907 K N 0.341 120.743 120.400 0.002 0.000 3.071 907 K HA -0.130 4.190 4.320 -0.000 0.000 0.265 907 K C -0.808 175.796 176.600 0.007 0.000 1.060 907 K CA 0.735 57.025 56.287 0.005 0.000 0.767 907 K CB -1.100 31.403 32.500 0.005 0.000 1.241 907 K HN 0.572 nan 8.250 nan 0.000 0.486 908 E N 1.629 121.833 120.200 0.007 0.000 2.354 908 E HA 0.118 4.468 4.350 -0.000 0.000 0.269 908 E C 0.577 177.185 176.600 0.013 0.000 1.036 908 E CA -0.026 56.381 56.400 0.011 0.000 0.876 908 E CB 0.806 30.511 29.700 0.009 0.000 1.009 908 E HN 0.303 nan 8.360 nan 0.000 0.416 909 R N 1.616 122.127 120.500 0.019 0.000 2.732 909 R HA 0.420 4.760 4.340 -0.000 0.000 0.278 909 R C -0.327 175.992 176.300 0.030 0.000 0.976 909 R CA -0.877 55.237 56.100 0.023 0.000 0.963 909 R CB 0.712 31.027 30.300 0.024 0.000 1.150 909 R HN 0.203 nan 8.270 nan 0.000 0.478 910 N N 0.063 118.782 118.700 0.032 0.000 2.440 910 N HA 0.069 4.809 4.740 -0.000 0.000 0.265 910 N C 0.102 175.646 175.510 0.057 0.000 1.239 910 N CA 0.414 53.488 53.050 0.041 0.000 0.909 910 N CB 1.103 39.613 38.487 0.038 0.000 1.066 910 N HN 0.727 nan 8.380 nan 0.000 0.474 911 A N 3.944 126.806 122.820 0.070 0.000 2.382 911 A HA 0.250 4.570 4.320 -0.000 0.000 0.228 911 A C -0.040 177.630 177.584 0.142 0.000 1.217 911 A CA 0.116 52.215 52.037 0.102 0.000 0.923 911 A CB 0.311 19.373 19.000 0.104 0.000 0.979 911 A HN 0.491 nan 8.150 nan 0.000 0.515 912 I N -0.017 120.622 120.570 0.115 0.000 2.474 912 I HA 0.672 4.842 4.170 -0.000 0.000 0.294 912 I C -0.245 175.941 176.117 0.116 0.000 1.005 912 I CA -0.629 60.757 61.300 0.143 0.000 1.113 912 I CB 1.536 39.594 38.000 0.096 0.000 1.289 912 I HN 0.105 nan 8.210 nan 0.000 0.436 913 R N 2.309 122.888 120.500 0.131 0.000 2.740 913 R HA 0.463 4.803 4.340 -0.000 0.000 0.273 913 R C -1.065 175.292 176.300 0.095 0.000 0.998 913 R CA -0.540 55.617 56.100 0.095 0.000 0.900 913 R CB 1.839 32.187 30.300 0.080 0.000 1.223 913 R HN 0.639 nan 8.270 nan 0.000 0.466 914 S N 1.942 117.682 115.700 0.068 0.000 2.430 914 S HA 0.286 4.756 4.470 -0.000 0.000 0.289 914 S C 0.823 175.446 174.600 0.037 0.000 1.143 914 S CA -0.629 57.603 58.200 0.054 0.000 1.067 914 S CB 0.528 63.745 63.200 0.028 0.000 0.964 914 S HN 0.377 nan 8.310 nan 0.000 0.485 915 V N 4.806 124.746 119.914 0.045 0.000 2.251 915 V HA 0.015 4.135 4.120 -0.000 0.000 0.233 915 V C 0.854 176.952 176.094 0.007 0.000 1.041 915 V CA 1.636 63.956 62.300 0.033 0.000 1.000 915 V CB -0.660 31.190 31.823 0.045 0.000 0.643 915 V HN 0.938 nan 8.190 nan 0.000 0.460 916 D N -1.642 118.759 120.400 0.002 0.000 2.650 916 D HA 0.223 4.863 4.640 -0.000 0.000 0.255 916 D C 0.467 176.679 176.300 -0.146 0.000 1.135 916 D CA -0.731 53.245 54.000 -0.040 0.000 1.099 916 D CB 0.498 41.312 40.800 0.023 0.000 1.273 916 D HN 0.180 nan 8.370 nan 0.000 0.628 917 E N -1.549 118.454 120.200 -0.328 0.000 2.526 917 E HA 0.079 4.428 4.350 -0.000 0.000 0.198 917 E C -0.163 175.871 176.600 -0.942 0.000 1.091 917 E CA 0.308 56.316 56.400 -0.652 0.000 0.880 917 E CB -0.149 29.066 29.700 -0.809 0.000 0.873 917 E HN 0.414 nan 8.360 nan 0.000 0.527 918 F N -1.868 118.036 119.950 -0.076 0.000 2.915 918 F HA 0.187 4.714 4.527 -0.000 0.000 0.347 918 F C 0.207 176.015 175.800 0.014 0.000 1.104 918 F CA -0.377 57.595 58.000 -0.046 0.000 1.126 918 F CB 1.363 40.332 39.000 -0.053 0.000 1.145 918 F HN -0.230 nan 8.300 nan 0.000 0.541 919 T N 0.928 115.568 114.554 0.143 0.000 2.893 919 T HA 0.618 4.968 4.350 -0.000 0.000 0.291 919 T C -1.277 173.510 174.700 0.145 0.000 1.028 919 T CA -0.686 61.498 62.100 0.141 0.000 0.995 919 T CB 2.873 71.798 68.868 0.095 0.000 1.051 919 T HN -0.190 nan 8.240 nan 0.000 0.470 920 V N 1.832 121.872 119.914 0.210 0.000 2.656 920 V HA 0.742 4.862 4.120 -0.000 0.000 0.307 920 V C -1.134 175.109 176.094 0.249 0.000 1.051 920 V CA -0.540 61.895 62.300 0.226 0.000 0.893 920 V CB 1.776 33.764 31.823 0.274 0.000 0.999 920 V HN 0.969 nan 8.190 nan 0.000 0.426 921 E N 5.616 125.939 120.200 0.205 0.000 2.317 921 E HA 0.632 4.982 4.350 -0.000 0.000 0.270 921 E C -1.813 174.919 176.600 0.220 0.000 0.885 921 E CA -0.608 55.887 56.400 0.159 0.000 0.760 921 E CB 1.905 31.652 29.700 0.078 0.000 1.227 921 E HN 1.009 nan 8.360 nan 0.000 0.434 922 H N 2.354 121.533 119.070 0.181 0.000 3.042 922 H HA 0.285 4.841 4.556 -0.000 0.000 0.346 922 H C -0.873 174.584 175.328 0.216 0.000 1.294 922 H CA -1.007 55.152 56.048 0.185 0.000 1.141 922 H CB 0.467 30.351 29.762 0.203 0.000 1.872 922 H HN 0.502 nan 8.280 nan 0.000 0.541 923 L N -0.040 121.366 121.223 0.304 0.000 2.410 923 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 923 L C -0.479 176.630 176.870 0.399 0.000 1.144 923 L CA -0.363 54.606 54.840 0.216 0.000 0.863 923 L CB 0.859 43.010 42.059 0.154 0.000 1.140 923 L HN 0.574 nan 8.230 nan 0.000 0.463 924 W N 5.228 126.542 121.300 0.023 0.000 2.591 924 W HA 0.251 4.911 4.660 -0.000 0.000 0.311 924 W C -0.347 176.164 176.519 -0.013 0.000 1.003 924 W CA -1.030 56.348 57.345 0.054 0.000 1.332 924 W CB 1.331 30.794 29.460 0.005 0.000 1.272 924 W HN 0.674 nan 8.180 nan 0.000 0.412 925 K N 3.527 123.530 120.400 -0.662 0.000 3.679 925 K HA -0.271 4.049 4.320 -0.000 0.000 0.274 925 K C 0.000 176.348 176.600 -0.420 0.000 0.839 925 K CA 1.704 57.562 56.287 -0.715 0.000 0.663 925 K CB -0.712 31.070 32.500 -1.196 0.000 1.638 925 K HN 0.631 nan 8.250 nan 0.000 0.443 926 D N -1.172 119.093 120.400 -0.225 0.000 2.714 926 D HA 0.092 4.732 4.640 -0.000 0.000 0.136 926 D C -0.535 175.716 176.300 -0.082 0.000 1.483 926 D CA 0.326 54.253 54.000 -0.121 0.000 1.530 926 D CB 0.554 41.316 40.800 -0.062 0.000 1.795 926 D HN 0.140 nan 8.370 nan 0.000 0.226 927 D N 0.059 120.427 120.400 -0.053 0.000 3.617 927 D HA 0.142 4.782 4.640 -0.000 0.000 0.264 927 D C -1.267 175.023 176.300 -0.017 0.000 1.579 927 D CA -0.023 53.956 54.000 -0.036 0.000 0.817 927 D CB -0.038 40.743 40.800 -0.031 0.000 1.516 927 D HN -0.023 nan 8.370 nan 0.000 0.619 928 K N 0.066 120.459 120.400 -0.011 0.000 2.502 928 K HA 0.865 5.185 4.320 -0.000 0.000 0.257 928 K C -1.008 175.604 176.600 0.020 0.000 0.938 928 K CA -0.570 55.718 56.287 0.002 0.000 0.819 928 K CB 2.162 34.661 32.500 -0.001 0.000 1.333 928 K HN 0.044 nan 8.250 nan 0.000 0.434 929 A N 2.324 125.151 122.820 0.011 0.000 2.331 929 A HA 0.461 4.781 4.320 -0.000 0.000 0.283 929 A C -0.749 176.808 177.584 -0.044 0.000 1.142 929 A CA -0.167 51.868 52.037 -0.003 0.000 0.812 929 A CB 0.410 19.411 19.000 0.001 0.000 1.074 929 A HN 0.591 nan 8.150 nan 0.000 0.497 930 K N 1.961 122.283 120.400 -0.130 0.000 2.221 930 K HA 0.445 4.765 4.320 -0.000 0.000 0.258 930 K C -0.669 175.767 176.600 -0.274 0.000 0.944 930 K CA -0.327 55.842 56.287 -0.197 0.000 0.823 930 K CB 0.955 33.356 32.500 -0.165 0.000 1.113 930 K HN 0.872 nan 8.250 nan 0.000 0.431 931 Q N 1.855 121.485 119.800 -0.284 0.000 2.348 931 Q HA 0.342 4.682 4.340 -0.000 0.000 0.271 931 Q C -1.416 174.327 176.000 -0.428 0.000 1.067 931 Q CA -1.018 54.664 55.803 -0.202 0.000 0.839 931 Q CB 2.042 30.724 28.738 -0.094 0.000 1.354 931 Q HN 0.581 nan 8.270 nan 0.000 0.447 932 H N 0.522 119.590 119.070 -0.005 0.000 2.667 932 H HA 0.456 5.012 4.556 -0.000 0.000 0.353 932 H C -0.935 174.265 175.328 -0.213 0.000 1.072 932 H CA -0.452 55.532 56.048 -0.105 0.000 1.214 932 H CB 1.336 31.141 29.762 0.073 0.000 1.600 932 H HN 0.345 nan 8.280 nan 0.000 0.527 933 M N 3.171 122.559 119.600 -0.353 0.000 2.294 933 M HA 0.443 4.923 4.480 -0.000 0.000 0.335 933 M C -1.244 174.683 176.300 -0.622 0.000 1.079 933 M CA -0.498 54.625 55.300 -0.294 0.000 0.982 933 M CB 1.260 33.765 32.600 -0.160 0.000 1.651 933 M HN 0.546 nan 8.290 nan 0.000 0.437 934 Y N -0.425 119.941 120.300 0.110 0.000 2.698 934 Y HA 0.292 4.842 4.550 -0.000 0.000 0.332 934 Y C 0.849 176.847 175.900 0.163 0.000 1.119 934 Y CA -0.872 57.292 58.100 0.106 0.000 1.109 934 Y CB 0.822 39.340 38.460 0.097 0.000 1.308 934 Y HN 0.621 nan 8.280 nan 0.000 0.499 935 D N 0.246 120.864 120.400 0.363 0.000 2.348 935 D HA -0.002 4.638 4.640 -0.000 0.000 0.216 935 D C 0.150 176.651 176.300 0.336 0.000 0.970 935 D CA 1.150 55.352 54.000 0.337 0.000 0.889 935 D CB 0.442 41.456 40.800 0.357 0.000 0.912 935 D HN 0.202 nan 8.370 nan 0.000 0.524 936 R N -0.319 120.270 120.500 0.148 0.000 2.907 936 R HA 0.208 4.548 4.340 -0.000 0.000 0.246 936 R C -2.343 173.740 176.300 -0.361 0.000 1.082 936 R CA -0.326 55.550 56.100 -0.374 0.000 1.003 936 R CB 0.753 30.409 30.300 -1.075 0.000 1.261 936 R HN -0.263 nan 8.270 nan 0.000 0.474 937 V N 5.165 124.789 119.914 -0.484 0.000 2.444 937 V HA 0.594 4.714 4.120 -0.000 0.000 0.294 937 V C -0.891 174.943 176.094 -0.434 0.000 1.022 937 V CA -0.546 61.594 62.300 -0.267 0.000 0.850 937 V CB 1.489 33.267 31.823 -0.075 0.000 0.992 937 V HN 0.592 nan 8.190 nan 0.000 0.426 938 F N 4.200 124.125 119.950 -0.042 0.000 2.427 938 F HA 0.438 4.965 4.527 -0.000 0.000 0.346 938 F C 0.683 176.489 175.800 0.010 0.000 1.120 938 F CA -0.811 57.179 58.000 -0.017 0.000 1.033 938 F CB 1.190 40.215 39.000 0.042 0.000 1.126 938 F HN 0.647 nan 8.300 nan 0.000 0.462 939 D N 1.822 122.311 120.400 0.148 0.000 2.398 939 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 939 D C 1.414 177.783 176.300 0.115 0.000 1.227 939 D CA -0.233 53.827 54.000 0.100 0.000 0.980 939 D CB 1.079 41.911 40.800 0.055 0.000 1.106 939 D HN 0.632 nan 8.370 nan 0.000 0.493 940 G N 0.216 109.061 108.800 0.075 0.000 2.485 940 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 940 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 940 G C 1.192 176.124 174.900 0.054 0.000 1.115 940 G CA 0.355 45.487 45.100 0.054 0.000 0.751 940 G HN 0.548 nan 8.290 nan 0.000 0.567 941 N N 1.006 119.744 118.700 0.063 0.000 2.463 941 N HA 0.093 4.833 4.740 -0.000 0.000 0.181 941 N C 1.249 176.811 175.510 0.087 0.000 1.078 941 N CA 0.557 53.644 53.050 0.061 0.000 0.902 941 N CB -0.065 38.452 38.487 0.049 0.000 0.970 941 N HN 0.300 nan 8.380 nan 0.000 0.451 942 A N 1.723 124.619 122.820 0.126 0.000 2.561 942 A HA 0.163 4.483 4.320 -0.000 0.000 0.251 942 A C 1.068 178.715 177.584 0.105 0.000 1.062 942 A CA 0.018 52.153 52.037 0.163 0.000 0.761 942 A CB -0.305 18.874 19.000 0.298 0.000 0.986 942 A HN 0.339 nan 8.150 nan 0.000 0.510 943 T N 0.933 115.539 114.554 0.086 0.000 2.788 943 T HA 0.252 4.602 4.350 -0.000 0.000 0.280 943 T C 1.016 175.727 174.700 0.019 0.000 0.984 943 T CA -0.323 61.819 62.100 0.071 0.000 0.972 943 T CB 0.597 69.501 68.868 0.060 0.000 1.039 943 T HN 0.608 nan 8.240 nan 0.000 0.530 944 Q N 0.194 119.991 119.800 -0.005 0.000 2.119 944 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 944 Q C 1.868 177.846 176.000 -0.036 0.000 0.972 944 Q CA 1.997 57.740 55.803 -0.099 0.000 0.847 944 Q CB -0.579 28.041 28.738 -0.196 0.000 0.903 944 Q HN 0.937 nan 8.270 nan 0.000 0.433 945 D N 0.759 121.167 120.400 0.014 0.000 2.117 945 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 945 D C 1.236 177.608 176.300 0.119 0.000 0.982 945 D CA 1.044 55.096 54.000 0.087 0.000 0.828 945 D CB 0.168 41.010 40.800 0.071 0.000 0.967 945 D HN 0.059 nan 8.370 nan 0.000 0.464 946 D N -0.277 120.173 120.400 0.084 0.000 2.144 946 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 946 D C 2.236 178.604 176.300 0.112 0.000 0.984 946 D CA 0.634 54.709 54.000 0.124 0.000 0.834 946 D CB -0.086 40.807 40.800 0.156 0.000 0.955 946 D HN 0.195 nan 8.370 nan 0.000 0.465 947 V N 0.871 120.724 119.914 -0.102 0.000 2.379 947 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 947 V C 2.150 178.288 176.094 0.072 0.000 1.044 947 V CA 1.026 63.121 62.300 -0.342 0.000 1.036 947 V CB -0.525 31.005 31.823 -0.489 0.000 0.664 947 V HN 0.064 nan 8.190 nan 0.000 0.453 948 F N 1.553 121.480 119.950 -0.038 0.000 2.216 948 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 948 F C 2.280 178.141 175.800 0.101 0.000 1.085 948 F CA 1.879 59.894 58.000 0.025 0.000 1.326 948 F CB -0.247 38.736 39.000 -0.029 0.000 1.027 948 F HN 0.184 nan 8.300 nan 0.000 0.497 949 E N 0.607 120.831 120.200 0.040 0.000 2.097 949 E HA -0.262 4.087 4.350 -0.000 0.000 0.196 949 E C 1.358 177.974 176.600 0.027 0.000 1.000 949 E CA 2.081 58.472 56.400 -0.016 0.000 0.804 949 E CB -0.504 29.248 29.700 0.086 0.000 0.740 949 E HN 0.498 nan 8.360 nan 0.000 0.454 950 D N -2.089 118.418 120.400 0.179 0.000 2.340 950 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 950 D C 0.866 177.443 176.300 0.461 0.000 1.039 950 D CA 1.062 55.247 54.000 0.308 0.000 0.866 950 D CB 0.354 41.354 40.800 0.334 0.000 0.913 950 D HN 0.315 nan 8.370 nan 0.000 0.523 951 T N -3.591 111.104 114.554 0.235 0.000 2.958 951 T HA 0.082 4.432 4.350 -0.000 0.000 0.256 951 T C 1.660 176.209 174.700 -0.253 0.000 0.983 951 T CA -0.320 61.835 62.100 0.091 0.000 0.924 951 T CB 0.067 69.085 68.868 0.250 0.000 1.136 951 T HN -0.127 nan 8.240 nan 0.000 0.506 952 K N 1.092 121.248 120.400 -0.407 0.000 2.107 952 K HA -0.277 4.043 4.320 -0.000 0.000 0.211 952 K C 2.070 178.527 176.600 -0.238 0.000 1.049 952 K CA 2.329 58.269 56.287 -0.578 0.000 0.927 952 K CB -0.595 31.477 32.500 -0.712 0.000 0.714 952 K HN 0.744 nan 8.250 nan 0.000 0.452 953 Y N -0.628 119.604 120.300 -0.114 0.000 2.315 953 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 953 Y C 1.564 177.446 175.900 -0.030 0.000 1.154 953 Y CA 0.390 58.458 58.100 -0.053 0.000 1.229 953 Y CB -0.421 38.020 38.460 -0.031 0.000 0.980 953 Y HN -0.048 nan 8.280 nan 0.000 0.540 954 L N 0.426 121.134 121.223 -0.857 0.000 2.191 954 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 954 L C 2.460 179.212 176.870 -0.197 0.000 1.103 954 L CA 0.907 55.410 54.840 -0.562 0.000 0.769 954 L CB -1.254 40.460 42.059 -0.575 0.000 0.908 954 L HN 0.347 nan 8.230 nan 0.000 0.438 955 V N -0.788 119.055 119.914 -0.117 0.000 2.358 955 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 955 V C 2.545 178.630 176.094 -0.014 0.000 1.047 955 V CA 1.502 63.791 62.300 -0.019 0.000 1.035 955 V CB -0.543 31.312 31.823 0.053 0.000 0.658 955 V HN 0.397 nan 8.190 nan 0.000 0.452 956 Q N 0.593 120.391 119.800 -0.002 0.000 2.170 956 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 956 Q C 2.268 178.299 176.000 0.052 0.000 0.976 956 Q CA 2.161 57.972 55.803 0.014 0.000 0.858 956 Q CB -0.504 28.257 28.738 0.038 0.000 0.907 956 Q HN 0.588 nan 8.270 nan 0.000 0.433 957 S N -0.079 115.671 115.700 0.083 0.000 2.382 957 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 957 S C 1.832 176.554 174.600 0.203 0.000 1.027 957 S CA 0.922 59.238 58.200 0.193 0.000 0.991 957 S CB -0.505 62.760 63.200 0.109 0.000 0.823 957 S HN 0.612 nan 8.310 nan 0.000 0.469 958 A N 1.441 124.308 122.820 0.079 0.000 1.855 958 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 958 A C 2.437 180.041 177.584 0.034 0.000 1.191 958 A CA 1.663 53.733 52.037 0.056 0.000 0.613 958 A CB -1.130 17.870 19.000 0.001 0.000 0.829 958 A HN 0.578 nan 8.150 nan 0.000 0.442 959 V N -1.603 118.310 119.914 -0.003 0.000 2.594 959 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 959 V C 1.437 177.532 176.094 0.001 0.000 1.069 959 V CA 2.604 64.893 62.300 -0.018 0.000 1.082 959 V CB -0.938 30.822 31.823 -0.106 0.000 0.680 959 V HN 0.379 nan 8.190 nan 0.000 0.469 960 D N 1.206 121.605 120.400 -0.001 0.000 2.350 960 D HA 0.190 4.830 4.640 -0.000 0.000 0.216 960 D C 1.779 178.013 176.300 -0.111 0.000 0.968 960 D CA 1.511 55.487 54.000 -0.041 0.000 0.894 960 D CB 0.191 41.002 40.800 0.018 0.000 0.909 960 D HN 0.828 nan 8.370 nan 0.000 0.520 961 G N -1.192 107.565 108.800 -0.072 0.000 2.192 961 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 961 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 961 G C -0.108 174.711 174.900 -0.134 0.000 0.999 961 G CA -0.530 44.502 45.100 -0.113 0.000 0.659 961 G HN 0.205 nan 8.290 nan 0.000 0.503 962 Y N 0.541 120.842 120.300 0.001 0.000 2.316 962 Y HA 0.608 5.158 4.550 -0.000 0.000 0.324 962 Y C 0.677 176.566 175.900 -0.017 0.000 1.267 962 Y CA -0.945 57.151 58.100 -0.006 0.000 1.311 962 Y CB 0.901 39.356 38.460 -0.007 0.000 1.267 962 Y HN 0.118 nan 8.280 nan 0.000 0.516 963 N N 1.173 119.990 118.700 0.197 0.000 2.462 963 N HA 0.314 5.054 4.740 -0.000 0.000 0.242 963 N C -1.764 173.765 175.510 0.031 0.000 1.010 963 N CA -0.121 52.975 53.050 0.078 0.000 0.939 963 N CB 0.441 38.962 38.487 0.057 0.000 1.127 963 N HN 0.328 nan 8.380 nan 0.000 0.509 964 V N 3.047 122.947 119.914 -0.023 0.000 2.483 964 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 964 V C -0.157 175.848 176.094 -0.149 0.000 1.035 964 V CA -0.935 61.307 62.300 -0.095 0.000 0.896 964 V CB 1.269 33.011 31.823 -0.134 0.000 0.986 964 V HN 0.792 nan 8.190 nan 0.000 0.447 965 C N 6.965 126.186 119.300 -0.132 0.000 2.431 965 C HA 0.725 5.185 4.460 -0.000 0.000 0.321 965 C C -0.705 174.240 174.990 -0.075 0.000 1.202 965 C CA -0.439 58.510 59.018 -0.114 0.000 1.398 965 C CB -0.126 27.604 27.740 -0.016 0.000 2.047 965 C HN 0.849 nan 8.230 nan 0.000 0.465 966 I N 7.148 127.633 120.570 -0.141 0.000 2.410 966 I HA 0.504 4.674 4.170 -0.000 0.000 0.286 966 I C -0.413 175.815 176.117 0.185 0.000 1.009 966 I CA -0.279 61.008 61.300 -0.021 0.000 1.111 966 I CB 0.957 38.894 38.000 -0.104 0.000 1.262 966 I HN 0.710 nan 8.210 nan 0.000 0.443 967 F N 4.863 124.869 119.950 0.094 0.000 2.577 967 F HA 0.960 5.487 4.527 -0.000 0.000 0.318 967 F C -0.577 175.355 175.800 0.220 0.000 1.065 967 F CA -0.940 57.141 58.000 0.135 0.000 0.929 967 F CB 1.424 40.480 39.000 0.094 0.000 1.237 967 F HN 0.353 nan 8.300 nan 0.000 0.468 968 A N 2.423 125.420 122.820 0.294 0.000 2.337 968 A HA 0.729 5.049 4.320 -0.000 0.000 0.329 968 A C -2.205 175.584 177.584 0.340 0.000 1.146 968 A CA -0.673 51.495 52.037 0.218 0.000 0.800 968 A CB 0.921 20.006 19.000 0.141 0.000 1.220 968 A HN 0.952 nan 8.150 nan 0.000 0.472 969 Y N 0.642 121.020 120.300 0.129 0.000 2.492 969 Y HA 0.635 5.185 4.550 -0.000 0.000 0.346 969 Y C 0.089 176.035 175.900 0.078 0.000 0.997 969 Y CA 0.253 58.439 58.100 0.143 0.000 1.025 969 Y CB 2.078 40.650 38.460 0.187 0.000 1.263 969 Y HN 1.522 nan 8.280 nan 0.000 0.454 970 G N 3.930 112.597 108.800 -0.221 0.000 2.336 970 G HA2 0.256 4.216 3.960 -0.000 0.000 0.300 970 G HA3 0.256 4.216 3.960 -0.000 0.000 0.300 970 G C -1.935 172.866 174.900 -0.164 0.000 1.375 970 G CA -0.813 44.242 45.100 -0.074 0.000 0.885 970 G HN 0.862 nan 8.290 nan 0.000 0.599 971 Q N -0.521 119.232 119.800 -0.079 0.000 2.492 971 Q HA 0.547 4.887 4.340 -0.000 0.000 0.238 971 Q C -0.002 175.959 176.000 -0.065 0.000 1.045 971 Q CA -0.064 55.693 55.803 -0.077 0.000 0.934 971 Q CB 0.284 29.001 28.738 -0.034 0.000 1.276 971 Q HN 0.353 nan 8.270 nan 0.000 0.521 972 T N 1.036 115.551 114.554 -0.065 0.000 2.902 972 T HA 0.319 4.669 4.350 -0.000 0.000 0.301 972 T C 1.079 175.753 174.700 -0.044 0.000 1.012 972 T CA 0.996 63.062 62.100 -0.056 0.000 1.151 972 T CB 0.120 68.954 68.868 -0.056 0.000 0.946 972 T HN 0.938 nan 8.240 nan 0.000 0.542 973 G N 2.393 111.167 108.800 -0.043 0.000 2.195 973 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.246 973 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.246 973 G C 1.268 176.145 174.900 -0.038 0.000 0.984 973 G CA 0.709 45.782 45.100 -0.045 0.000 0.633 973 G HN 0.938 nan 8.290 nan 0.000 0.525 974 S N -0.406 115.280 115.700 -0.023 0.000 2.428 974 S HA 0.403 4.873 4.470 -0.000 0.000 0.230 974 S C 2.095 176.696 174.600 0.003 0.000 1.014 974 S CA 1.682 59.876 58.200 -0.009 0.000 0.957 974 S CB 0.213 63.416 63.200 0.004 0.000 0.784 974 S HN 2.376 nan 8.310 nan 0.000 0.499 975 G N 0.837 109.646 108.800 0.016 0.000 2.173 975 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.142 975 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.142 975 G C 0.639 175.600 174.900 0.101 0.000 1.019 975 G CA 0.098 45.234 45.100 0.060 0.000 0.699 975 G HN 0.405 nan 8.290 nan 0.000 0.495 976 K N -0.036 120.407 120.400 0.071 0.000 2.009 976 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 976 K C 2.486 179.135 176.600 0.081 0.000 1.049 976 K CA 2.004 58.334 56.287 0.072 0.000 0.929 976 K CB -0.327 32.216 32.500 0.071 0.000 0.714 976 K HN 0.282 nan 8.250 nan 0.000 0.440 977 T N 0.977 115.598 114.554 0.113 0.000 2.821 977 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 977 T C 1.475 176.268 174.700 0.155 0.000 1.046 977 T CA 0.993 63.189 62.100 0.160 0.000 1.139 977 T CB -0.300 68.648 68.868 0.132 0.000 0.871 977 T HN 0.206 nan 8.240 nan 0.000 0.454 978 F N 1.871 121.821 119.950 -0.000 0.000 2.134 978 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 978 F C 2.404 178.148 175.800 -0.093 0.000 1.097 978 F CA 1.292 59.277 58.000 -0.026 0.000 1.264 978 F CB -0.385 38.596 39.000 -0.032 0.000 1.001 978 F HN 0.073 nan 8.300 nan 0.000 0.479 979 T N 1.323 115.847 114.554 -0.051 0.000 2.732 979 T HA -0.119 4.231 4.350 -0.000 0.000 0.261 979 T C 2.030 176.499 174.700 -0.386 0.000 1.040 979 T CA 1.458 63.383 62.100 -0.291 0.000 1.145 979 T CB -0.209 68.452 68.868 -0.346 0.000 0.866 979 T HN 0.096 nan 8.240 nan 0.000 0.427 980 I N -0.230 120.175 120.570 -0.275 0.000 2.163 980 I HA -0.049 4.120 4.170 -0.000 0.000 0.240 980 I C 1.952 177.712 176.117 -0.595 0.000 1.081 980 I CA 1.766 62.840 61.300 -0.377 0.000 1.353 980 I CB -0.964 36.897 38.000 -0.232 0.000 1.054 980 I HN 0.298 nan 8.210 nan 0.000 0.407 981 Y N 0.145 120.309 120.300 -0.226 0.000 2.559 981 Y HA 0.397 4.947 4.550 -0.000 0.000 0.279 981 Y C 1.723 177.455 175.900 -0.279 0.000 1.117 981 Y CA 0.596 58.554 58.100 -0.236 0.000 1.263 981 Y CB -0.291 38.083 38.460 -0.143 0.000 1.230 981 Y HN 0.284 nan 8.280 nan 0.000 0.528 982 G N 0.835 109.527 108.800 -0.179 0.000 2.642 982 G HA2 0.022 3.982 3.960 -0.000 0.000 0.231 982 G HA3 0.022 3.982 3.960 -0.000 0.000 0.231 982 G C -0.401 174.422 174.900 -0.128 0.000 1.338 982 G CA -0.497 44.362 45.100 -0.401 0.000 0.883 982 G HN 0.686 nan 8.290 nan 0.000 0.570 983 A N -1.461 121.285 122.820 -0.125 0.000 2.346 983 A HA 0.760 5.080 4.320 -0.000 0.000 0.313 983 A C 0.967 178.513 177.584 -0.063 0.000 1.140 983 A CA 0.816 52.844 52.037 -0.015 0.000 0.826 983 A CB 0.882 19.934 19.000 0.088 0.000 1.332 983 A HN 0.834 nan 8.150 nan 0.000 0.457 984 D N 0.540 120.902 120.400 -0.065 0.000 2.126 984 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 984 D C 2.169 178.431 176.300 -0.063 0.000 1.001 984 D CA 2.666 56.623 54.000 -0.072 0.000 0.841 984 D CB -0.160 40.593 40.800 -0.077 0.000 0.949 984 D HN 0.564 nan 8.370 nan 0.000 0.446 985 S N -0.977 114.697 115.700 -0.043 0.000 2.395 985 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 985 S C 1.069 175.646 174.600 -0.038 0.000 1.027 985 S CA 0.359 58.540 58.200 -0.032 0.000 0.965 985 S CB -0.027 63.167 63.200 -0.010 0.000 0.812 985 S HN 0.044 nan 8.310 nan 0.000 0.482 986 N N 2.902 121.578 118.700 -0.040 0.000 2.976 986 N HA 0.477 5.217 4.740 -0.000 0.000 0.255 986 N C -3.250 172.130 175.510 -0.216 0.000 1.312 986 N CA -2.341 50.661 53.050 -0.079 0.000 0.897 986 N CB 0.777 39.283 38.487 0.033 0.000 1.184 986 N HN 0.122 nan 8.380 nan 0.000 0.497 987 P HA 0.069 nan 4.420 nan 0.000 0.263 987 P C 0.445 177.529 177.300 -0.361 0.000 1.175 987 P CA 0.163 63.111 63.100 -0.254 0.000 0.761 987 P CB 0.714 32.284 31.700 -0.216 0.000 0.794 988 G N 1.866 110.431 108.800 -0.392 0.000 2.531 988 G HA2 0.219 4.179 3.960 -0.000 0.000 0.281 988 G HA3 0.219 4.179 3.960 -0.000 0.000 0.281 988 G C 0.927 175.558 174.900 -0.450 0.000 1.382 988 G CA -0.711 44.115 45.100 -0.457 0.000 1.045 988 G HN 0.398 nan 8.290 nan 0.000 0.533 989 L N -0.664 120.300 121.223 -0.433 0.000 1.989 989 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 989 L C 3.277 179.803 176.870 -0.574 0.000 1.071 989 L CA 1.871 56.498 54.840 -0.355 0.000 0.749 989 L CB -0.822 41.125 42.059 -0.187 0.000 0.890 989 L HN 0.544 nan 8.230 nan 0.000 0.431 990 T N 0.253 114.252 114.554 -0.923 0.000 2.622 990 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 990 T C -0.465 173.875 174.700 -0.599 0.000 1.047 990 T CA 1.835 63.224 62.100 -1.185 0.000 1.159 990 T CB -1.382 66.712 68.868 -1.290 0.000 0.863 990 T HN 0.314 nan 8.240 nan 0.000 0.422 991 P HA -0.091 nan 4.420 nan 0.000 0.218 991 P C 1.303 178.437 177.300 -0.277 0.000 1.148 991 P CA 1.321 64.258 63.100 -0.273 0.000 0.822 991 P CB -0.090 31.476 31.700 -0.223 0.000 0.784 992 R N -0.259 119.959 120.500 -0.470 0.000 2.115 992 R HA 0.067 4.407 4.340 -0.000 0.000 0.226 992 R C 2.540 178.542 176.300 -0.497 0.000 1.100 992 R CA 1.179 56.857 56.100 -0.704 0.000 0.980 992 R CB -0.786 28.643 30.300 -1.453 0.000 0.875 992 R HN 0.144 nan 8.270 nan 0.000 0.445 993 A N 1.058 123.730 122.820 -0.246 0.000 1.873 993 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 993 A C 2.036 179.703 177.584 0.139 0.000 1.186 993 A CA 1.128 53.254 52.037 0.148 0.000 0.616 993 A CB -0.232 18.949 19.000 0.302 0.000 0.823 993 A HN 0.067 nan 8.150 nan 0.000 0.442 994 M N -0.018 119.637 119.600 0.091 0.000 2.149 994 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 994 M C 2.384 178.883 176.300 0.333 0.000 1.064 994 M CA 1.794 57.236 55.300 0.236 0.000 1.102 994 M CB -1.709 31.009 32.600 0.197 0.000 1.369 994 M HN 0.518 nan 8.290 nan 0.000 0.408 995 S N -0.002 115.809 115.700 0.185 0.000 2.355 995 S HA -0.181 4.289 4.470 -0.000 0.000 0.222 995 S C 1.913 176.527 174.600 0.022 0.000 1.031 995 S CA 1.702 59.888 58.200 -0.023 0.000 0.993 995 S CB -0.122 63.019 63.200 -0.100 0.000 0.859 995 S HN 0.466 nan 8.310 nan 0.000 0.453 996 E N 0.789 121.046 120.200 0.095 0.000 2.160 996 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 996 E C 1.848 178.499 176.600 0.084 0.000 0.991 996 E CA 1.085 57.573 56.400 0.146 0.000 0.810 996 E CB -0.572 29.331 29.700 0.338 0.000 0.742 996 E HN 0.486 nan 8.360 nan 0.000 0.466 997 L N -0.532 120.750 121.223 0.099 0.000 2.027 997 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 997 L C 1.993 178.785 176.870 -0.129 0.000 1.074 997 L CA 1.788 56.623 54.840 -0.009 0.000 0.745 997 L CB -0.776 41.303 42.059 0.033 0.000 0.898 997 L HN 0.197 nan 8.230 nan 0.000 0.433 998 F N -0.480 119.406 119.950 -0.106 0.000 2.234 998 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 998 F C 2.408 178.119 175.800 -0.148 0.000 1.087 998 F CA 0.881 58.798 58.000 -0.137 0.000 1.340 998 F CB -0.202 38.707 39.000 -0.151 0.000 1.031 998 F HN 0.042 nan 8.300 nan 0.000 0.500 999 R N 0.329 120.842 120.500 0.023 0.000 2.092 999 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 999 R C 2.166 178.440 176.300 -0.043 0.000 1.119 999 R CA 1.175 57.269 56.100 -0.011 0.000 0.970 999 R CB -0.882 29.414 30.300 -0.007 0.000 0.864 999 R HN 0.277 nan 8.270 nan 0.000 0.440 1000 I N -0.054 120.464 120.570 -0.087 0.000 2.163 1000 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 1000 I C 2.084 178.079 176.117 -0.204 0.000 1.081 1000 I CA 1.436 62.660 61.300 -0.126 0.000 1.353 1000 I CB -0.250 37.657 38.000 -0.155 0.000 1.054 1000 I HN 0.139 nan 8.210 nan 0.000 0.407 1001 M N 0.183 119.535 119.600 -0.414 0.000 2.213 1001 M HA -0.214 4.266 4.480 -0.000 0.000 0.263 1001 M C 2.344 178.593 176.300 -0.085 0.000 1.062 1001 M CA 1.552 56.476 55.300 -0.627 0.000 1.105 1001 M CB -0.477 31.462 32.600 -1.101 0.000 1.385 1001 M HN 0.158 nan 8.290 nan 0.000 0.417 1002 K N 1.702 122.075 120.400 -0.046 0.000 2.002 1002 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 1002 K C 2.019 178.664 176.600 0.075 0.000 1.048 1002 K CA 1.809 58.128 56.287 0.053 0.000 0.930 1002 K CB -0.021 32.508 32.500 0.048 0.000 0.714 1002 K HN 0.394 nan 8.250 nan 0.000 0.438 1003 K N -0.044 120.384 120.400 0.047 0.000 2.002 1003 K HA -0.132 4.187 4.320 -0.000 0.000 0.209 1003 K C 1.085 177.745 176.600 0.101 0.000 1.048 1003 K CA 1.802 58.124 56.287 0.060 0.000 0.930 1003 K CB -0.260 32.261 32.500 0.035 0.000 0.714 1003 K HN 0.079 nan 8.250 nan 0.000 0.438 1004 D N 1.045 121.524 120.400 0.131 0.000 2.352 1004 D HA 0.007 4.647 4.640 -0.000 0.000 0.232 1004 D C 1.188 177.676 176.300 0.313 0.000 1.055 1004 D CA 0.314 54.437 54.000 0.206 0.000 0.891 1004 D CB 0.296 41.199 40.800 0.171 0.000 0.897 1004 D HN 0.203 nan 8.370 nan 0.000 0.529 1005 S N 0.921 116.788 115.700 0.278 0.000 2.442 1005 S HA -0.163 4.307 4.470 -0.000 0.000 0.236 1005 S C 1.715 176.404 174.600 0.148 0.000 1.007 1005 S CA 1.020 59.372 58.200 0.253 0.000 0.965 1005 S CB -0.223 63.099 63.200 0.204 0.000 0.773 1005 S HN 0.588 nan 8.310 nan 0.000 0.504 1006 N N 0.619 119.397 118.700 0.130 0.000 2.188 1006 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 1006 N C 1.547 177.095 175.510 0.064 0.000 1.018 1006 N CA 0.870 53.970 53.050 0.082 0.000 0.858 1006 N CB -0.011 38.520 38.487 0.074 0.000 0.989 1006 N HN 0.072 nan 8.380 nan 0.000 0.426 1007 K N -1.023 119.455 120.400 0.129 0.000 2.354 1007 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 1007 K C -0.602 175.925 176.600 -0.122 0.000 1.045 1007 K CA 0.157 56.483 56.287 0.066 0.000 1.026 1007 K CB 0.413 33.041 32.500 0.214 0.000 0.866 1007 K HN 0.162 nan 8.250 nan 0.000 0.530 1008 F N 0.384 120.252 119.950 -0.136 0.000 2.576 1008 F HA 0.223 4.750 4.527 -0.000 0.000 0.313 1008 F C -0.095 175.380 175.800 -0.542 0.000 1.078 1008 F CA -1.038 56.748 58.000 -0.357 0.000 0.921 1008 F CB 1.997 40.740 39.000 -0.429 0.000 1.232 1008 F HN -0.258 nan 8.300 nan 0.000 0.459 1009 S N 1.974 117.390 115.700 -0.474 0.000 2.596 1009 S HA 0.712 5.181 4.470 -0.000 0.000 0.318 1009 S C -1.145 173.158 174.600 -0.496 0.000 1.097 1009 S CA -0.588 57.376 58.200 -0.393 0.000 1.080 1009 S CB 0.161 63.245 63.200 -0.194 0.000 0.991 1009 S HN 0.306 nan 8.310 nan 0.000 0.471 1010 F N 1.736 121.711 119.950 0.042 0.000 2.377 1010 F HA 0.694 5.221 4.527 -0.000 0.000 0.328 1010 F C 1.034 176.835 175.800 0.001 0.000 1.094 1010 F CA -0.631 57.374 58.000 0.010 0.000 1.093 1010 F CB 1.800 40.770 39.000 -0.050 0.000 1.214 1010 F HN 0.626 nan 8.300 nan 0.000 0.518 1011 S N 2.978 118.787 115.700 0.183 0.000 2.707 1011 S HA 0.730 5.200 4.470 -0.000 0.000 0.303 1011 S C -1.306 173.359 174.600 0.107 0.000 1.132 1011 S CA -0.453 57.815 58.200 0.112 0.000 1.046 1011 S CB 0.219 63.460 63.200 0.068 0.000 1.004 1011 S HN 0.442 nan 8.310 nan 0.000 0.483 1012 L N 5.099 126.377 121.223 0.091 0.000 2.333 1012 L HA 0.756 5.096 4.340 -0.000 0.000 0.269 1012 L C -0.316 176.607 176.870 0.088 0.000 1.010 1012 L CA -0.225 54.660 54.840 0.075 0.000 0.818 1012 L CB 1.865 43.951 42.059 0.045 0.000 1.306 1012 L HN 0.710 nan 8.230 nan 0.000 0.430 1013 K N 1.535 121.988 120.400 0.089 0.000 2.575 1013 K HA 0.986 5.306 4.320 -0.000 0.000 0.279 1013 K C -1.800 174.862 176.600 0.105 0.000 0.969 1013 K CA -0.913 55.436 56.287 0.102 0.000 0.868 1013 K CB 2.266 34.830 32.500 0.107 0.000 1.457 1013 K HN 0.590 nan 8.250 nan 0.000 0.426 1014 A N 0.957 123.847 122.820 0.117 0.000 2.594 1014 A HA 0.797 5.117 4.320 -0.000 0.000 0.291 1014 A C -2.055 175.626 177.584 0.162 0.000 1.105 1014 A CA -0.863 51.218 52.037 0.073 0.000 0.694 1014 A CB 1.184 20.203 19.000 0.032 0.000 1.291 1014 A HN 0.893 nan 8.150 nan 0.000 0.410 1015 Y N -1.841 118.495 120.300 0.061 0.000 2.597 1015 Y HA 0.831 5.381 4.550 -0.000 0.000 0.340 1015 Y C -0.915 175.025 175.900 0.066 0.000 1.097 1015 Y CA -1.305 56.828 58.100 0.054 0.000 1.037 1015 Y CB 1.724 40.210 38.460 0.044 0.000 1.305 1015 Y HN 0.843 nan 8.280 nan 0.000 0.463 1016 M N 3.787 123.518 119.600 0.219 0.000 2.326 1016 M HA 0.768 5.248 4.480 -0.000 0.000 0.292 1016 M C -2.470 173.941 176.300 0.186 0.000 1.081 1016 M CA -0.773 54.614 55.300 0.145 0.000 0.919 1016 M CB 2.147 34.802 32.600 0.092 0.000 1.634 1016 M HN 0.830 nan 8.290 nan 0.000 0.451 1017 V N 3.567 123.591 119.914 0.183 0.000 3.007 1017 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 1017 V C -1.738 174.438 176.094 0.137 0.000 1.120 1017 V CA -0.267 62.129 62.300 0.160 0.000 0.980 1017 V CB 2.526 34.461 31.823 0.186 0.000 1.033 1017 V HN 0.980 nan 8.190 nan 0.000 0.429 1018 E N 3.424 123.697 120.200 0.122 0.000 2.248 1018 E HA 0.565 4.915 4.350 -0.000 0.000 0.267 1018 E C -1.927 174.757 176.600 0.140 0.000 0.877 1018 E CA -0.832 55.644 56.400 0.126 0.000 0.759 1018 E CB 2.059 31.824 29.700 0.107 0.000 1.182 1018 E HN 0.595 nan 8.360 nan 0.000 0.418 1019 L N 5.959 127.279 121.223 0.162 0.000 2.366 1019 L HA 0.270 4.610 4.340 -0.000 0.000 0.266 1019 L C -0.660 176.284 176.870 0.124 0.000 1.010 1019 L CA -0.278 54.669 54.840 0.177 0.000 0.879 1019 L CB 0.539 42.731 42.059 0.221 0.000 1.228 1019 L HN 0.722 nan 8.230 nan 0.000 0.439 1020 Y N 3.024 123.381 120.300 0.094 0.000 2.144 1020 Y HA 0.117 4.667 4.550 -0.000 0.000 0.272 1020 Y C 0.672 176.617 175.900 0.076 0.000 1.092 1020 Y CA 1.278 59.406 58.100 0.046 0.000 1.080 1020 Y CB 0.341 38.818 38.460 0.028 0.000 1.003 1020 Y HN 0.617 nan 8.280 nan 0.000 0.477 1021 Q N 0.785 120.579 119.800 -0.010 0.000 2.878 1021 Q HA 0.149 4.488 4.340 -0.000 0.000 0.232 1021 Q C -1.355 174.715 176.000 0.118 0.000 0.893 1021 Q CA -0.107 55.731 55.803 0.059 0.000 0.742 1021 Q CB 0.753 29.565 28.738 0.124 0.000 1.354 1021 Q HN 0.565 nan 8.270 nan 0.000 0.466 1022 D N 0.721 121.174 120.400 0.089 0.000 3.039 1022 D HA -0.143 4.497 4.640 -0.000 0.000 0.222 1022 D C -0.736 175.570 176.300 0.010 0.000 1.179 1022 D CA 1.560 55.534 54.000 -0.043 0.000 0.880 1022 D CB -0.510 40.261 40.800 -0.047 0.000 1.115 1022 D HN 0.410 nan 8.370 nan 0.000 0.416 1023 T N 1.182 115.782 114.554 0.076 0.000 2.833 1023 T HA 0.435 4.785 4.350 -0.000 0.000 0.297 1023 T C 0.230 174.987 174.700 0.096 0.000 1.015 1023 T CA -0.516 61.635 62.100 0.086 0.000 0.963 1023 T CB 1.970 70.916 68.868 0.130 0.000 0.955 1023 T HN 0.030 nan 8.240 nan 0.000 0.449 1024 L N 5.150 126.411 121.223 0.062 0.000 2.255 1024 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 1024 L C 0.013 176.920 176.870 0.062 0.000 1.046 1024 L CA -0.651 54.229 54.840 0.066 0.000 0.816 1024 L CB 0.922 43.005 42.059 0.040 0.000 1.197 1024 L HN 0.485 nan 8.230 nan 0.000 0.427 1025 V N 1.597 121.558 119.914 0.078 0.000 2.513 1025 V HA 0.469 4.589 4.120 -0.000 0.000 0.299 1025 V C -0.440 175.696 176.094 0.070 0.000 1.035 1025 V CA -0.844 61.495 62.300 0.065 0.000 0.889 1025 V CB 2.002 33.865 31.823 0.066 0.000 0.988 1025 V HN 0.676 nan 8.190 nan 0.000 0.440 1026 D N 3.704 124.138 120.400 0.056 0.000 2.316 1026 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 1026 D C 0.763 177.098 176.300 0.059 0.000 1.171 1026 D CA -0.113 53.925 54.000 0.064 0.000 0.856 1026 D CB 1.357 42.185 40.800 0.047 0.000 1.090 1026 D HN 0.657 nan 8.370 nan 0.000 0.476 1027 L N 3.323 124.588 121.223 0.069 0.000 2.554 1027 L HA 0.082 4.422 4.340 -0.000 0.000 0.226 1027 L C 1.575 178.472 176.870 0.045 0.000 1.137 1027 L CA 0.264 55.134 54.840 0.051 0.000 0.863 1027 L CB 0.102 42.190 42.059 0.048 0.000 0.985 1027 L HN 0.443 nan 8.230 nan 0.000 0.451 1028 L N -0.073 121.186 121.223 0.059 0.000 2.667 1028 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 1028 L C 0.261 177.156 176.870 0.042 0.000 1.138 1028 L CA -0.362 54.510 54.840 0.052 0.000 0.921 1028 L CB 0.453 42.557 42.059 0.074 0.000 1.180 1028 L HN 0.131 nan 8.230 nan 0.000 0.487 1029 L N 2.415 123.660 121.223 0.037 0.000 2.418 1029 L HA 0.324 4.664 4.340 -0.000 0.000 0.274 1029 L C -2.037 174.845 176.870 0.020 0.000 1.135 1029 L CA -1.242 53.614 54.840 0.027 0.000 0.870 1029 L CB 0.132 42.205 42.059 0.024 0.000 1.154 1029 L HN -0.164 nan 8.230 nan 0.000 0.462 1030 P HA 0.085 nan 4.420 nan 0.000 0.267 1030 P C 0.165 177.471 177.300 0.009 0.000 1.200 1030 P CA -0.275 62.833 63.100 0.012 0.000 0.772 1030 P CB 0.535 32.243 31.700 0.013 0.000 0.855 1031 K N 1.950 122.354 120.400 0.006 0.000 2.063 1031 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 1031 K C 1.738 178.340 176.600 0.004 0.000 1.048 1031 K CA 1.873 58.162 56.287 0.003 0.000 0.928 1031 K CB -0.382 32.118 32.500 0.000 0.000 0.713 1031 K HN 0.470 nan 8.250 nan 0.000 0.442 1032 Q N 0.408 120.211 119.800 0.004 0.000 2.170 1032 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 1032 Q C 0.741 176.744 176.000 0.005 0.000 0.976 1032 Q CA 0.960 56.766 55.803 0.004 0.000 0.858 1032 Q CB -0.506 28.235 28.738 0.005 0.000 0.907 1032 Q HN 0.299 nan 8.270 nan 0.000 0.433 1033 A N 1.946 124.770 122.820 0.007 0.000 2.477 1033 A HA 0.253 4.573 4.320 -0.000 0.000 0.246 1033 A C -0.042 177.546 177.584 0.007 0.000 1.078 1033 A CA -0.474 51.568 52.037 0.008 0.000 0.770 1033 A CB -0.034 18.973 19.000 0.011 0.000 1.011 1033 A HN 0.303 nan 8.150 nan 0.000 0.494 1034 K N 2.694 123.097 120.400 0.006 0.000 2.298 1034 K HA 0.318 4.638 4.320 -0.000 0.000 0.280 1034 K C -0.053 176.550 176.600 0.006 0.000 1.032 1034 K CA -0.480 55.811 56.287 0.005 0.000 0.958 1034 K CB 0.695 33.198 32.500 0.004 0.000 0.978 1034 K HN 0.739 nan 8.250 nan 0.000 0.472 1035 R N 4.085 124.589 120.500 0.006 0.000 2.234 1035 R HA 0.246 4.586 4.340 -0.000 0.000 0.324 1035 R C -0.695 175.608 176.300 0.005 0.000 1.054 1035 R CA -0.615 55.489 56.100 0.007 0.000 0.912 1035 R CB 0.219 30.525 30.300 0.010 0.000 1.030 1035 R HN 0.538 nan 8.270 nan 0.000 0.455 1036 L N 3.360 124.585 121.223 0.004 0.000 2.379 1036 L HA 0.300 4.640 4.340 -0.000 0.000 0.269 1036 L C 0.559 177.429 176.870 -0.000 0.000 1.084 1036 L CA -1.038 53.802 54.840 0.001 0.000 0.802 1036 L CB 1.192 43.251 42.059 -0.001 0.000 1.175 1036 L HN 0.651 nan 8.230 nan 0.000 0.448 1037 K N 2.747 123.146 120.400 -0.001 0.000 2.447 1037 K HA 0.262 4.581 4.320 -0.000 0.000 0.281 1037 K C -0.848 175.747 176.600 -0.008 0.000 1.031 1037 K CA -0.111 56.174 56.287 -0.002 0.000 1.019 1037 K CB 0.209 32.707 32.500 -0.003 0.000 0.918 1037 K HN 0.423 nan 8.250 nan 0.000 0.476 1038 L N 2.379 123.597 121.223 -0.008 0.000 2.375 1038 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 1038 L C 0.117 176.974 176.870 -0.022 0.000 1.107 1038 L CA -0.466 54.363 54.840 -0.018 0.000 0.806 1038 L CB 0.847 42.899 42.059 -0.012 0.000 1.146 1038 L HN 0.754 nan 8.230 nan 0.000 0.447 1039 D N 2.217 122.597 120.400 -0.032 0.000 2.780 1039 D HA 0.400 5.040 4.640 -0.000 0.000 0.242 1039 D C -0.929 175.347 176.300 -0.040 0.000 1.135 1039 D CA -0.432 53.549 54.000 -0.031 0.000 0.859 1039 D CB 2.227 43.011 40.800 -0.027 0.000 1.530 1039 D HN 0.070 nan 8.370 nan 0.000 0.493 1040 I N 2.768 123.317 120.570 -0.035 0.000 2.353 1040 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 1040 I C 0.695 176.788 176.117 -0.040 0.000 0.992 1040 I CA -0.276 61.000 61.300 -0.039 0.000 1.268 1040 I CB 0.761 38.741 38.000 -0.033 0.000 1.387 1040 I HN 0.308 nan 8.210 nan 0.000 0.478 1041 K N 4.565 124.938 120.400 -0.046 0.000 2.308 1041 K HA 0.645 4.965 4.320 -0.000 0.000 0.268 1041 K C -1.289 175.282 176.600 -0.049 0.000 0.992 1041 K CA -1.049 55.212 56.287 -0.044 0.000 0.836 1041 K CB 2.106 34.585 32.500 -0.035 0.000 1.507 1041 K HN 0.495 nan 8.250 nan 0.000 0.394 1042 K N 0.177 120.552 120.400 -0.043 0.000 2.532 1042 K HA 0.346 4.666 4.320 -0.000 0.000 0.265 1042 K C -1.516 175.068 176.600 -0.027 0.000 0.948 1042 K CA -0.950 55.313 56.287 -0.040 0.000 0.842 1042 K CB 0.928 33.395 32.500 -0.056 0.000 1.392 1042 K HN 0.517 nan 8.250 nan 0.000 0.436 1043 D N -0.145 120.243 120.400 -0.020 0.000 2.478 1043 D HA 0.136 4.775 4.640 -0.000 0.000 0.269 1043 D C 0.654 176.948 176.300 -0.010 0.000 1.232 1043 D CA -0.284 53.709 54.000 -0.013 0.000 1.059 1043 D CB 0.364 41.160 40.800 -0.007 0.000 1.104 1043 D HN 0.523 nan 8.370 nan 0.000 0.566 1044 S N -1.113 114.584 115.700 -0.006 0.000 2.465 1044 S HA -0.158 4.312 4.470 -0.000 0.000 0.241 1044 S C 1.212 175.811 174.600 -0.002 0.000 1.000 1044 S CA 0.570 58.767 58.200 -0.004 0.000 0.964 1044 S CB -0.379 62.819 63.200 -0.003 0.000 0.763 1044 S HN 0.408 nan 8.310 nan 0.000 0.512 1045 K N 0.536 120.936 120.400 -0.001 0.000 2.374 1045 K HA 0.285 4.605 4.320 -0.000 0.000 0.196 1045 K C 1.447 178.048 176.600 0.002 0.000 1.023 1045 K CA 0.609 56.897 56.287 0.002 0.000 1.103 1045 K CB 0.078 32.581 32.500 0.005 0.000 0.848 1045 K HN 0.564 nan 8.250 nan 0.000 0.528 1046 G N 1.844 110.640 108.800 -0.007 0.000 2.175 1046 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 1046 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 1046 G C 0.147 175.032 174.900 -0.025 0.000 0.982 1046 G CA 0.308 45.397 45.100 -0.019 0.000 0.641 1046 G HN 0.351 nan 8.290 nan 0.000 0.527 1047 M N 2.371 121.965 119.600 -0.010 0.000 2.188 1047 M HA 0.507 4.987 4.480 -0.000 0.000 0.354 1047 M C 1.103 177.397 176.300 -0.010 0.000 1.342 1047 M CA -0.510 54.789 55.300 -0.002 0.000 1.117 1047 M CB 0.895 33.505 32.600 0.018 0.000 1.670 1047 M HN 0.570 nan 8.290 nan 0.000 0.466 1048 V N 3.652 123.557 119.914 -0.015 0.000 2.775 1048 V HA 0.794 4.914 4.120 -0.000 0.000 0.299 1048 V C -0.254 175.848 176.094 0.012 0.000 1.062 1048 V CA -0.227 62.060 62.300 -0.021 0.000 1.063 1048 V CB 1.012 32.811 31.823 -0.039 0.000 0.994 1048 V HN 0.965 nan 8.190 nan 0.000 0.483 1049 S N 2.642 118.327 115.700 -0.025 0.000 2.537 1049 S HA 0.630 5.100 4.470 -0.000 0.000 0.271 1049 S C -0.894 173.635 174.600 -0.119 0.000 1.148 1049 S CA -0.176 57.978 58.200 -0.077 0.000 0.868 1049 S CB 1.321 64.477 63.200 -0.073 0.000 1.115 1049 S HN 2.221 nan 8.310 nan 0.000 0.461 1050 V N 1.791 121.574 119.914 -0.218 0.000 2.334 1050 V HA 0.546 4.666 4.120 -0.000 0.000 0.281 1050 V C 0.006 175.999 176.094 -0.169 0.000 1.016 1050 V CA -0.486 61.716 62.300 -0.164 0.000 0.832 1050 V CB 0.452 32.186 31.823 -0.147 0.000 0.999 1050 V HN 1.018 nan 8.190 nan 0.000 0.439 1051 E N 4.130 124.267 120.200 -0.105 0.000 2.442 1051 E HA 0.133 4.483 4.350 -0.000 0.000 0.260 1051 E C 0.528 177.084 176.600 -0.072 0.000 1.148 1051 E CA 0.475 56.826 56.400 -0.082 0.000 0.976 1051 E CB -0.032 29.637 29.700 -0.051 0.000 0.967 1051 E HN 0.875 nan 8.360 nan 0.000 0.454 1052 N N -1.780 116.886 118.700 -0.056 0.000 2.732 1052 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 1052 N C -0.544 174.941 175.510 -0.042 0.000 1.097 1052 N CA 0.405 53.433 53.050 -0.038 0.000 0.812 1052 N CB -0.773 37.700 38.487 -0.024 0.000 1.148 1052 N HN 0.247 nan 8.380 nan 0.000 0.572 1053 V N 1.205 121.072 119.914 -0.078 0.000 2.649 1053 V HA 0.150 4.270 4.120 -0.000 0.000 0.292 1053 V C 0.694 176.763 176.094 -0.042 0.000 1.055 1053 V CA 0.054 62.310 62.300 -0.074 0.000 1.023 1053 V CB 1.524 33.248 31.823 -0.166 0.000 0.992 1053 V HN 0.121 nan 8.190 nan 0.000 0.480 1054 T N 6.001 120.561 114.554 0.010 0.000 2.799 1054 T HA 0.292 4.642 4.350 -0.000 0.000 0.296 1054 T C -0.264 174.481 174.700 0.074 0.000 0.947 1054 T CA -0.056 62.066 62.100 0.037 0.000 1.141 1054 T CB 0.594 69.491 68.868 0.048 0.000 0.891 1054 T HN 0.447 nan 8.240 nan 0.000 0.533 1055 V N 5.120 125.074 119.914 0.067 0.000 2.357 1055 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 1055 V C 0.111 176.263 176.094 0.096 0.000 1.018 1055 V CA -0.783 61.586 62.300 0.115 0.000 0.841 1055 V CB 1.680 33.558 31.823 0.091 0.000 0.991 1055 V HN 0.676 nan 8.190 nan 0.000 0.437 1056 V N 4.121 124.099 119.914 0.108 0.000 2.439 1056 V HA 0.334 4.454 4.120 -0.000 0.000 0.282 1056 V C 0.543 176.688 176.094 0.085 0.000 1.039 1056 V CA -0.195 62.154 62.300 0.082 0.000 0.913 1056 V CB 1.927 33.794 31.823 0.073 0.000 0.983 1056 V HN 0.897 nan 8.190 nan 0.000 0.460 1057 S N 5.941 121.686 115.700 0.074 0.000 2.499 1057 S HA 0.461 4.931 4.470 -0.000 0.000 0.275 1057 S C -0.164 174.488 174.600 0.087 0.000 1.257 1057 S CA -0.373 57.874 58.200 0.078 0.000 1.050 1057 S CB 0.285 63.525 63.200 0.066 0.000 0.937 1057 S HN 0.420 nan 8.310 nan 0.000 0.490 1058 I N 3.651 124.286 120.570 0.108 0.000 2.321 1058 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 1058 I C 1.260 177.478 176.117 0.168 0.000 0.998 1058 I CA -0.205 61.179 61.300 0.141 0.000 1.227 1058 I CB 1.016 39.128 38.000 0.187 0.000 1.368 1058 I HN 0.757 nan 8.210 nan 0.000 0.466 1059 S N 2.675 118.471 115.700 0.160 0.000 2.505 1059 S HA 0.119 4.589 4.470 -0.000 0.000 0.216 1059 S C 0.754 175.492 174.600 0.230 0.000 1.018 1059 S CA -0.098 58.202 58.200 0.168 0.000 0.911 1059 S CB 0.534 63.801 63.200 0.111 0.000 0.818 1059 S HN 0.687 nan 8.310 nan 0.000 0.497 1060 T N -0.613 114.070 114.554 0.215 0.000 2.883 1060 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 1060 T C -0.071 174.605 174.700 -0.040 0.000 1.117 1060 T CA -0.610 61.583 62.100 0.156 0.000 1.006 1060 T CB 1.181 70.079 68.868 0.051 0.000 1.191 1060 T HN 0.122 nan 8.240 nan 0.000 0.508 1061 Y N 1.908 121.810 120.300 -0.664 0.000 2.242 1061 Y HA 0.063 4.613 4.550 -0.000 0.000 0.291 1061 Y C 2.123 177.753 175.900 -0.450 0.000 1.137 1061 Y CA 2.102 59.526 58.100 -1.127 0.000 1.181 1061 Y CB -0.037 37.685 38.460 -1.231 0.000 0.989 1061 Y HN 0.792 nan 8.280 nan 0.000 0.527 1062 E N 0.159 120.140 120.200 -0.365 0.000 2.118 1062 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 1062 E C 1.954 178.389 176.600 -0.276 0.000 0.992 1062 E CA 1.611 57.806 56.400 -0.342 0.000 0.804 1062 E CB -0.137 29.469 29.700 -0.156 0.000 0.741 1062 E HN 0.689 nan 8.360 nan 0.000 0.458 1063 E N 0.847 120.945 120.200 -0.170 0.000 2.077 1063 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 1063 E C 2.252 178.787 176.600 -0.108 0.000 0.989 1063 E CA 0.606 56.950 56.400 -0.094 0.000 0.800 1063 E CB -0.062 29.628 29.700 -0.016 0.000 0.746 1063 E HN 0.205 nan 8.360 nan 0.000 0.452 1064 L N 1.102 122.246 121.223 -0.133 0.000 2.027 1064 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 1064 L C 2.620 179.373 176.870 -0.195 0.000 1.074 1064 L CA 1.310 56.093 54.840 -0.096 0.000 0.745 1064 L CB -0.179 41.881 42.059 0.001 0.000 0.898 1064 L HN 0.070 nan 8.230 nan 0.000 0.433 1065 K N -0.522 119.636 120.400 -0.405 0.000 2.074 1065 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 1065 K C 1.944 178.411 176.600 -0.222 0.000 1.048 1065 K CA 2.235 58.281 56.287 -0.402 0.000 0.926 1065 K CB -0.142 31.992 32.500 -0.610 0.000 0.713 1065 K HN 0.504 nan 8.250 nan 0.000 0.444 1066 T N -0.562 113.881 114.554 -0.185 0.000 2.788 1066 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 1066 T C 1.978 176.629 174.700 -0.081 0.000 1.044 1066 T CA 1.377 63.407 62.100 -0.117 0.000 1.139 1066 T CB -0.416 68.396 68.868 -0.093 0.000 0.867 1066 T HN 0.203 nan 8.240 nan 0.000 0.454 1067 I N 1.627 122.156 120.570 -0.067 0.000 2.142 1067 I HA -0.050 4.120 4.170 -0.000 0.000 0.240 1067 I C 2.476 178.585 176.117 -0.012 0.000 1.078 1067 I CA 1.564 62.847 61.300 -0.027 0.000 1.343 1067 I CB -0.449 37.548 38.000 -0.004 0.000 1.046 1067 I HN 0.311 nan 8.210 nan 0.000 0.405 1068 I N -0.944 119.620 120.570 -0.011 0.000 3.001 1068 I HA -0.181 3.989 4.170 -0.000 0.000 0.268 1068 I C 2.213 178.347 176.117 0.027 0.000 1.267 1068 I CA 1.319 62.657 61.300 0.062 0.000 1.472 1068 I CB -0.583 37.435 38.000 0.030 0.000 1.089 1068 I HN 0.244 nan 8.210 nan 0.000 0.468 1069 Q N 1.253 121.025 119.800 -0.046 0.000 2.096 1069 Q HA -0.171 4.169 4.340 -0.000 0.000 0.197 1069 Q C 2.471 178.416 176.000 -0.091 0.000 0.964 1069 Q CA 1.143 56.902 55.803 -0.073 0.000 0.838 1069 Q CB -0.089 28.596 28.738 -0.089 0.000 0.906 1069 Q HN 0.641 nan 8.270 nan 0.000 0.444 1070 R N -0.430 120.024 120.500 -0.077 0.000 2.120 1070 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 1070 R C 1.993 178.222 176.300 -0.120 0.000 1.123 1070 R CA 1.498 57.551 56.100 -0.079 0.000 0.975 1070 R CB -0.425 29.845 30.300 -0.049 0.000 0.866 1070 R HN 0.323 nan 8.270 nan 0.000 0.446 1071 G N -0.361 108.350 108.800 -0.147 0.000 2.414 1071 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 1071 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 1071 G C 1.371 175.912 174.900 -0.598 0.000 1.188 1071 G CA 0.712 45.635 45.100 -0.295 0.000 0.783 1071 G HN 0.417 nan 8.290 nan 0.000 0.537 1072 S N 0.814 116.102 115.700 -0.686 0.000 2.368 1072 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 1072 S C 2.236 176.664 174.600 -0.287 0.000 1.044 1072 S CA 2.184 60.024 58.200 -0.601 0.000 1.062 1072 S CB -0.465 62.617 63.200 -0.197 0.000 0.931 1072 S HN 0.591 nan 8.310 nan 0.000 0.440 1073 E N -0.003 120.085 120.200 -0.187 0.000 2.204 1073 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 1073 E C 2.214 178.763 176.600 -0.084 0.000 0.990 1073 E CA 1.207 57.542 56.400 -0.107 0.000 0.821 1073 E CB -0.201 29.443 29.700 -0.094 0.000 0.750 1073 E HN 0.601 nan 8.360 nan 0.000 0.477 1074 Q N 0.549 120.271 119.800 -0.131 0.000 2.297 1074 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 1074 Q C 1.657 177.604 176.000 -0.087 0.000 0.962 1074 Q CA 1.035 56.779 55.803 -0.097 0.000 0.879 1074 Q CB 0.327 28.999 28.738 -0.110 0.000 0.947 1074 Q HN -0.000 nan 8.270 nan 0.000 0.462 1075 R N -1.084 119.339 120.500 -0.130 0.000 2.254 1075 R HA 0.098 4.438 4.340 -0.000 0.000 0.193 1075 R C 0.258 176.549 176.300 -0.014 0.000 0.929 1075 R CA 0.074 56.122 56.100 -0.086 0.000 1.038 1075 R CB -0.461 29.750 30.300 -0.150 0.000 1.009 1075 R HN 0.359 nan 8.270 nan 0.000 0.512 1076 H N 2.499 121.525 119.070 -0.073 0.000 3.070 1076 H HA -0.025 4.531 4.556 -0.000 0.000 0.313 1076 H C -0.295 175.018 175.328 -0.025 0.000 0.997 1076 H CA 0.819 56.846 56.048 -0.035 0.000 1.438 1076 H CB 0.743 30.484 29.762 -0.035 0.000 1.455 1076 H HN -0.004 nan 8.280 nan 0.000 0.575 1077 T N 2.239 116.511 114.554 -0.470 0.000 2.817 1077 T HA 0.155 4.505 4.350 -0.000 0.000 0.293 1077 T C 0.862 175.389 174.700 -0.289 0.000 0.964 1077 T CA -0.432 61.494 62.100 -0.290 0.000 1.085 1077 T CB 1.137 69.874 68.868 -0.219 0.000 0.921 1077 T HN 0.626 nan 8.240 nan 0.000 0.502 1078 T N 3.125 117.622 114.554 -0.096 0.000 3.045 1078 T HA 0.347 4.697 4.350 -0.000 0.000 0.239 1078 T C 1.272 175.953 174.700 -0.033 0.000 1.008 1078 T CA 0.442 62.528 62.100 -0.024 0.000 1.143 1078 T CB -0.318 68.562 68.868 0.021 0.000 0.894 1078 T HN 0.873 nan 8.240 nan 0.000 0.451 1079 G N 0.043 108.821 108.800 -0.036 0.000 2.532 1079 G HA2 0.411 4.371 3.960 -0.000 0.000 0.291 1079 G HA3 0.411 4.371 3.960 -0.000 0.000 0.291 1079 G C 0.350 175.227 174.900 -0.038 0.000 1.349 1079 G CA -0.009 45.073 45.100 -0.029 0.000 1.038 1079 G HN 0.164 nan 8.290 nan 0.000 0.518 1080 T N -0.368 114.170 114.554 -0.028 0.000 3.084 1080 T HA 0.313 4.663 4.350 -0.000 0.000 0.270 1080 T C 0.651 175.337 174.700 -0.023 0.000 1.008 1080 T CA -0.349 61.733 62.100 -0.029 0.000 0.900 1080 T CB -0.465 68.389 68.868 -0.022 0.000 1.084 1080 T HN 0.198 nan 8.240 nan 0.000 0.538 1081 L N 1.875 123.086 121.223 -0.020 0.000 2.350 1081 L HA 0.386 4.726 4.340 -0.000 0.000 0.275 1081 L C 1.606 178.466 176.870 -0.016 0.000 1.099 1081 L CA -0.790 54.042 54.840 -0.014 0.000 0.808 1081 L CB 0.956 43.010 42.059 -0.008 0.000 1.149 1081 L HN 0.118 nan 8.230 nan 0.000 0.442 1082 M N 1.918 121.510 119.600 -0.013 0.000 2.549 1082 M HA -0.092 4.388 4.480 -0.000 0.000 0.260 1082 M C 1.511 177.805 176.300 -0.010 0.000 1.076 1082 M CA 0.918 56.208 55.300 -0.017 0.000 1.090 1082 M CB -1.000 31.591 32.600 -0.014 0.000 1.418 1082 M HN 0.711 nan 8.290 nan 0.000 0.486 1083 N N 0.434 119.135 118.700 0.002 0.000 2.336 1083 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 1083 N C 0.232 175.762 175.510 0.033 0.000 1.113 1083 N CA 0.020 53.083 53.050 0.022 0.000 0.858 1083 N CB -0.045 38.458 38.487 0.026 0.000 0.970 1083 N HN 0.399 nan 8.380 nan 0.000 0.471 1084 E N 1.215 121.422 120.200 0.012 0.000 2.442 1084 E HA -0.123 4.227 4.350 -0.000 0.000 0.262 1084 E C 0.944 177.569 176.600 0.041 0.000 1.004 1084 E CA -0.076 56.331 56.400 0.013 0.000 0.928 1084 E CB 0.794 30.487 29.700 -0.012 0.000 0.937 1084 E HN 0.255 nan 8.360 nan 0.000 0.446 1085 Q N 2.438 122.280 119.800 0.070 0.000 2.030 1085 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 1085 Q C 1.861 177.906 176.000 0.076 0.000 0.986 1085 Q CA 2.268 58.164 55.803 0.156 0.000 0.843 1085 Q CB -0.147 28.667 28.738 0.127 0.000 0.904 1085 Q HN 0.730 nan 8.270 nan 0.000 0.420 1086 S N -0.571 115.143 115.700 0.024 0.000 2.440 1086 S HA -0.102 4.368 4.470 -0.000 0.000 0.240 1086 S C 1.748 176.323 174.600 -0.042 0.000 1.014 1086 S CA 1.465 59.658 58.200 -0.013 0.000 0.980 1086 S CB -0.146 63.039 63.200 -0.025 0.000 0.775 1086 S HN 0.294 nan 8.310 nan 0.000 0.499 1087 S N 0.570 116.243 115.700 -0.045 0.000 2.535 1087 S HA 0.303 4.773 4.470 -0.000 0.000 0.214 1087 S C 1.485 176.019 174.600 -0.111 0.000 0.980 1087 S CA -0.416 57.742 58.200 -0.070 0.000 0.907 1087 S CB 0.137 63.303 63.200 -0.056 0.000 0.790 1087 S HN 0.384 nan 8.310 nan 0.000 0.510 1088 R N 1.411 121.839 120.500 -0.120 0.000 2.446 1088 R HA 0.272 4.612 4.340 -0.000 0.000 0.254 1088 R C 0.479 176.527 176.300 -0.419 0.000 0.918 1088 R CA 0.189 56.160 56.100 -0.216 0.000 1.069 1088 R CB 0.426 30.654 30.300 -0.120 0.000 1.194 1088 R HN 0.460 nan 8.270 nan 0.000 0.534 1089 S N -0.019 115.473 115.700 -0.347 0.000 2.689 1089 S HA 0.514 4.984 4.470 -0.000 0.000 0.306 1089 S C -0.386 173.959 174.600 -0.424 0.000 1.104 1089 S CA -0.783 57.168 58.200 -0.414 0.000 0.973 1089 S CB 1.884 65.018 63.200 -0.110 0.000 1.121 1089 S HN 0.117 nan 8.310 nan 0.000 0.523 1090 H N 0.514 119.573 119.070 -0.018 0.000 2.466 1090 H HA 0.508 5.064 4.556 -0.000 0.000 0.338 1090 H C -1.029 174.334 175.328 0.059 0.000 1.091 1090 H CA -0.637 55.425 56.048 0.022 0.000 1.207 1090 H CB 1.483 31.255 29.762 0.017 0.000 1.466 1090 H HN 0.439 nan 8.280 nan 0.000 0.493 1091 L N 4.867 126.207 121.223 0.194 0.000 2.341 1091 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 1091 L C -0.962 176.030 176.870 0.203 0.000 1.005 1091 L CA -0.734 54.208 54.840 0.171 0.000 0.818 1091 L CB 1.252 43.391 42.059 0.133 0.000 1.259 1091 L HN 0.575 nan 8.230 nan 0.000 0.418 1092 I N 5.113 125.788 120.570 0.175 0.000 2.499 1092 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 1092 I C -0.737 175.452 176.117 0.121 0.000 1.048 1092 I CA -0.702 60.691 61.300 0.155 0.000 1.062 1092 I CB 2.402 40.478 38.000 0.127 0.000 1.238 1092 I HN 0.265 nan 8.210 nan 0.000 0.426 1093 V N 5.573 125.554 119.914 0.113 0.000 2.540 1093 V HA 0.661 4.781 4.120 -0.000 0.000 0.302 1093 V C -0.591 175.458 176.094 -0.076 0.000 1.035 1093 V CA 0.106 62.426 62.300 0.035 0.000 0.873 1093 V CB 2.106 34.012 31.823 0.139 0.000 0.992 1093 V HN 0.792 nan 8.190 nan 0.000 0.428 1094 S N 4.599 120.089 115.700 -0.349 0.000 2.536 1094 S HA 0.771 5.240 4.470 -0.000 0.000 0.287 1094 S C -1.033 173.378 174.600 -0.316 0.000 1.101 1094 S CA -0.564 57.389 58.200 -0.411 0.000 0.950 1094 S CB 1.964 64.706 63.200 -0.762 0.000 1.056 1094 S HN 0.704 nan 8.310 nan 0.000 0.481 1095 V N 3.431 123.272 119.914 -0.122 0.000 2.443 1095 V HA 0.458 4.578 4.120 -0.000 0.000 0.293 1095 V C -0.969 175.124 176.094 -0.001 0.000 1.021 1095 V CA -0.585 61.697 62.300 -0.030 0.000 0.848 1095 V CB 1.291 33.136 31.823 0.038 0.000 0.998 1095 V HN 0.756 nan 8.190 nan 0.000 0.424 1096 I N 6.094 126.687 120.570 0.039 0.000 2.325 1096 I HA 0.392 4.561 4.170 -0.000 0.000 0.291 1096 I C -0.064 176.086 176.117 0.056 0.000 1.019 1096 I CA 0.206 61.541 61.300 0.059 0.000 1.302 1096 I CB 1.145 39.203 38.000 0.097 0.000 1.401 1096 I HN 0.427 nan 8.210 nan 0.000 0.485 1097 I N 6.249 126.848 120.570 0.048 0.000 2.330 1097 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 1097 I C -0.077 176.102 176.117 0.102 0.000 1.025 1097 I CA -0.551 60.786 61.300 0.062 0.000 1.197 1097 I CB 0.919 38.932 38.000 0.021 0.000 1.358 1097 I HN 0.510 nan 8.210 nan 0.000 0.467 1098 E N 6.360 126.635 120.200 0.125 0.000 2.133 1098 E HA 0.529 4.879 4.350 -0.000 0.000 0.274 1098 E C -0.769 175.916 176.600 0.142 0.000 0.930 1098 E CA -0.523 55.942 56.400 0.109 0.000 0.770 1098 E CB 1.284 31.026 29.700 0.069 0.000 1.104 1098 E HN 0.544 nan 8.360 nan 0.000 0.403 1099 S N 2.788 118.562 115.700 0.123 0.000 2.503 1099 S HA 0.705 5.175 4.470 -0.000 0.000 0.301 1099 S C -0.574 174.044 174.600 0.029 0.000 1.087 1099 S CA -0.829 57.402 58.200 0.052 0.000 1.042 1099 S CB 1.695 64.999 63.200 0.173 0.000 1.043 1099 S HN 0.408 nan 8.310 nan 0.000 0.489 1100 T N 2.451 116.957 114.554 -0.080 0.000 2.840 1100 T HA 0.384 4.734 4.350 -0.000 0.000 0.287 1100 T C -0.390 174.095 174.700 -0.358 0.000 0.991 1100 T CA -0.628 61.388 62.100 -0.140 0.000 0.964 1100 T CB 0.665 69.447 68.868 -0.144 0.000 0.954 1100 T HN 0.804 nan 8.240 nan 0.000 0.438 1101 N N 3.252 121.662 118.700 -0.482 0.000 2.452 1101 N HA 0.128 4.868 4.740 -0.000 0.000 0.266 1101 N C 1.337 176.522 175.510 -0.542 0.000 1.175 1101 N CA -0.459 52.028 53.050 -0.939 0.000 0.945 1101 N CB 0.459 38.556 38.487 -0.649 0.000 1.063 1101 N HN 0.541 nan 8.380 nan 0.000 0.472 1102 L N 2.602 123.502 121.223 -0.538 0.000 2.261 1102 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 1102 L C 2.206 178.946 176.870 -0.216 0.000 1.114 1102 L CA 1.237 55.898 54.840 -0.299 0.000 0.777 1102 L CB -0.424 41.492 42.059 -0.238 0.000 0.910 1102 L HN 0.771 nan 8.230 nan 0.000 0.440 1103 Q N -2.124 117.539 119.800 -0.229 0.000 2.514 1103 Q HA -0.000 4.340 4.340 -0.000 0.000 0.208 1103 Q C 1.817 177.737 176.000 -0.133 0.000 0.938 1103 Q CA 0.685 56.399 55.803 -0.148 0.000 0.892 1103 Q CB -0.510 28.156 28.738 -0.119 0.000 1.050 1103 Q HN 0.021 nan 8.270 nan 0.000 0.595 1104 T N 0.779 115.243 114.554 -0.151 0.000 2.929 1104 T HA -0.112 4.238 4.350 -0.000 0.000 0.271 1104 T C 0.235 174.868 174.700 -0.111 0.000 1.085 1104 T CA 1.108 63.142 62.100 -0.111 0.000 1.125 1104 T CB -0.185 68.624 68.868 -0.098 0.000 0.874 1104 T HN 0.342 nan 8.240 nan 0.000 0.494 1105 Q N -1.384 118.326 119.800 -0.151 0.000 2.406 1105 Q HA -0.181 4.159 4.340 -0.000 0.000 0.236 1105 Q C 0.290 176.229 176.000 -0.103 0.000 0.799 1105 Q CA 0.876 56.602 55.803 -0.129 0.000 1.286 1105 Q CB -2.233 26.449 28.738 -0.094 0.000 1.615 1105 Q HN 0.728 nan 8.270 nan 0.000 0.621 1106 A N 0.137 122.898 122.820 -0.099 0.000 2.332 1106 A HA 0.582 4.902 4.320 -0.000 0.000 0.258 1106 A C 0.217 177.779 177.584 -0.037 0.000 1.087 1106 A CA -0.156 51.849 52.037 -0.053 0.000 0.802 1106 A CB 0.498 19.482 19.000 -0.026 0.000 1.042 1106 A HN 0.162 nan 8.150 nan 0.000 0.489 1107 I N 0.311 120.874 120.570 -0.012 0.000 2.465 1107 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 1107 I C 0.292 176.421 176.117 0.021 0.000 1.014 1107 I CA 0.065 61.368 61.300 0.004 0.000 1.093 1107 I CB 1.937 39.931 38.000 -0.010 0.000 1.267 1107 I HN 0.688 nan 8.210 nan 0.000 0.431 1108 A N 5.863 128.710 122.820 0.046 0.000 2.319 1108 A HA 0.779 5.099 4.320 -0.000 0.000 0.310 1108 A C -0.295 177.309 177.584 0.035 0.000 1.152 1108 A CA -0.692 51.363 52.037 0.029 0.000 0.783 1108 A CB 0.734 19.758 19.000 0.041 0.000 1.184 1108 A HN 0.679 nan 8.150 nan 0.000 0.474 1109 R N 2.749 123.258 120.500 0.015 0.000 2.332 1109 R HA 0.484 4.824 4.340 -0.000 0.000 0.306 1109 R C 0.360 176.674 176.300 0.023 0.000 1.117 1109 R CA 0.077 56.194 56.100 0.027 0.000 1.108 1109 R CB 0.658 30.971 30.300 0.023 0.000 1.126 1109 R HN 0.875 nan 8.270 nan 0.000 0.548 1110 G N 1.787 110.607 108.800 0.033 0.000 2.531 1110 G HA2 0.358 4.317 3.960 -0.000 0.000 0.313 1110 G HA3 0.358 4.317 3.960 -0.000 0.000 0.313 1110 G C -1.198 173.723 174.900 0.036 0.000 1.238 1110 G CA -0.454 44.666 45.100 0.033 0.000 0.994 1110 G HN 0.415 nan 8.290 nan 0.000 0.493 1111 K N -0.658 119.759 120.400 0.028 0.000 2.550 1111 K HA 0.443 4.763 4.320 -0.000 0.000 0.252 1111 K C -2.163 174.417 176.600 -0.033 0.000 0.943 1111 K CA -0.760 55.532 56.287 0.008 0.000 0.806 1111 K CB 2.086 34.598 32.500 0.020 0.000 1.289 1111 K HN 0.331 nan 8.250 nan 0.000 0.435 1112 L N 2.706 123.895 121.223 -0.058 0.000 2.319 1112 L HA 0.534 4.873 4.340 -0.000 0.000 0.281 1112 L C -1.268 175.489 176.870 -0.189 0.000 1.005 1112 L CA 0.124 54.884 54.840 -0.134 0.000 0.828 1112 L CB 1.630 43.659 42.059 -0.049 0.000 1.227 1112 L HN 0.569 nan 8.230 nan 0.000 0.415 1113 S N 4.610 120.112 115.700 -0.330 0.000 2.594 1113 S HA 0.723 5.193 4.470 -0.000 0.000 0.296 1113 S C -1.217 173.124 174.600 -0.433 0.000 1.124 1113 S CA -0.350 57.691 58.200 -0.264 0.000 1.011 1113 S CB 0.426 63.542 63.200 -0.140 0.000 1.016 1113 S HN 0.337 nan 8.310 nan 0.000 0.485 1114 F N 3.356 123.286 119.950 -0.034 0.000 2.458 1114 F HA 0.598 5.125 4.527 -0.000 0.000 0.336 1114 F C -0.127 175.691 175.800 0.030 0.000 1.114 1114 F CA -0.737 57.245 58.000 -0.029 0.000 0.987 1114 F CB 1.953 40.863 39.000 -0.150 0.000 1.130 1114 F HN 0.206 nan 8.300 nan 0.000 0.458 1115 V N 2.376 122.437 119.914 0.244 0.000 2.407 1115 V HA 0.260 4.380 4.120 -0.000 0.000 0.291 1115 V C -0.967 175.295 176.094 0.279 0.000 1.018 1115 V CA -0.727 61.717 62.300 0.241 0.000 0.842 1115 V CB 1.630 33.572 31.823 0.199 0.000 0.996 1115 V HN 0.602 nan 8.190 nan 0.000 0.426 1116 D N 5.283 125.845 120.400 0.270 0.000 2.467 1116 D HA 0.403 5.043 4.640 -0.000 0.000 0.220 1116 D C -0.018 176.417 176.300 0.225 0.000 1.103 1116 D CA -0.134 54.015 54.000 0.249 0.000 0.886 1116 D CB 0.755 41.736 40.800 0.302 0.000 1.025 1116 D HN 0.380 nan 8.370 nan 0.000 0.514 1117 L N 1.616 122.984 121.223 0.242 0.000 2.476 1117 L HA 0.438 4.778 4.340 -0.000 0.000 0.255 1117 L C 1.230 178.160 176.870 0.101 0.000 1.218 1117 L CA -0.862 54.152 54.840 0.291 0.000 0.819 1117 L CB 0.445 42.673 42.059 0.281 0.000 1.119 1117 L HN 0.354 nan 8.230 nan 0.000 0.485 1118 A N 0.299 123.105 122.820 -0.023 0.000 2.313 1118 A HA 0.500 4.820 4.320 -0.000 0.000 0.261 1118 A C 0.468 177.954 177.584 -0.163 0.000 1.090 1118 A CA 0.061 51.942 52.037 -0.260 0.000 0.807 1118 A CB 0.080 18.736 19.000 -0.574 0.000 1.055 1118 A HN 0.781 nan 8.150 nan 0.000 0.492 1119 G N -0.313 108.388 108.800 -0.164 0.000 2.414 1119 G HA2 0.319 4.279 3.960 -0.000 0.000 0.236 1119 G HA3 0.319 4.279 3.960 -0.000 0.000 0.236 1119 G C 1.012 175.787 174.900 -0.208 0.000 1.293 1119 G CA 0.423 45.424 45.100 -0.165 0.000 0.869 1119 G HN 1.426 nan 8.290 nan 0.000 0.556 1120 S N 0.553 116.075 115.700 -0.298 0.000 2.527 1120 S HA -0.001 4.469 4.470 -0.000 0.000 0.222 1120 S C 0.980 175.511 174.600 -0.116 0.000 0.985 1120 S CA 0.420 58.425 58.200 -0.325 0.000 0.921 1120 S CB -0.121 62.694 63.200 -0.642 0.000 0.772 1120 S HN 0.792 nan 8.310 nan 0.000 0.529 1121 E N 1.730 121.882 120.200 -0.079 0.000 2.404 1121 E HA 0.161 4.511 4.350 -0.000 0.000 0.261 1121 E C -0.575 176.017 176.600 -0.014 0.000 1.074 1121 E CA -0.465 55.924 56.400 -0.019 0.000 0.917 1121 E CB 0.455 30.147 29.700 -0.014 0.000 0.965 1121 E HN 0.030 nan 8.360 nan 0.000 0.433 1122 R N 1.193 121.703 120.500 0.016 0.000 2.389 1122 R HA 0.260 4.600 4.340 -0.000 0.000 0.295 1122 R C -0.724 175.581 176.300 0.009 0.000 1.075 1122 R CA -0.367 55.742 56.100 0.016 0.000 1.005 1122 R CB 0.878 31.201 30.300 0.039 0.000 0.987 1122 R HN 0.397 nan 8.270 nan 0.000 0.452 1123 V N 5.594 125.507 119.914 -0.000 0.000 2.481 1123 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 1123 V C -0.038 176.062 176.094 0.010 0.000 1.042 1123 V CA -0.541 61.759 62.300 0.001 0.000 0.928 1123 V CB 1.402 33.220 31.823 -0.009 0.000 0.986 1123 V HN 0.700 nan 8.190 nan 0.000 0.462 1124 K N 3.871 124.279 120.400 0.013 0.000 2.259 1124 K HA 0.623 4.943 4.320 -0.000 0.000 0.252 1124 K C -0.784 175.825 176.600 0.016 0.000 0.936 1124 K CA -0.999 55.298 56.287 0.017 0.000 0.810 1124 K CB 2.524 35.035 32.500 0.019 0.000 1.143 1124 K HN 0.320 nan 8.250 nan 0.000 0.427 1136 A N 2.432 125.266 122.820 0.024 0.000 2.316 1136 A HA 0.458 4.778 4.320 -0.000 0.000 0.311 1136 A C 0.066 177.664 177.584 0.024 0.000 1.339 1136 A CA 0.022 52.074 52.037 0.025 0.000 0.960 1136 A CB -0.036 18.982 19.000 0.029 0.000 1.152 1136 A HN 0.300 nan 8.150 nan 0.000 0.547 1137 Q N 2.292 122.105 119.800 0.021 0.000 2.286 1137 Q HA 0.156 4.496 4.340 -0.000 0.000 0.290 1137 Q C -0.399 175.614 176.000 0.022 0.000 1.049 1137 Q CA 0.518 56.334 55.803 0.022 0.000 0.923 1137 Q CB 0.390 29.141 28.738 0.022 0.000 1.183 1137 Q HN 0.421 nan 8.270 nan 0.000 0.383 1138 S N 4.400 120.115 115.700 0.026 0.000 3.697 1138 S HA 0.152 4.622 4.470 -0.000 0.000 0.207 1138 S C 0.331 174.950 174.600 0.031 0.000 1.459 1138 S CA -0.460 57.757 58.200 0.028 0.000 1.122 1138 S CB -0.698 62.522 63.200 0.033 0.000 1.311 1138 S HN 0.704 nan 8.310 nan 0.000 0.487 1139 I N -1.356 119.226 120.570 0.021 0.000 4.025 1139 I HA 0.304 4.473 4.170 -0.000 0.000 0.336 1139 I C 0.327 176.432 176.117 -0.020 0.000 1.390 1139 I CA -0.425 60.884 61.300 0.016 0.000 1.099 1139 I CB -0.261 37.750 38.000 0.019 0.000 1.049 1139 I HN 0.093 nan 8.210 nan 0.000 0.394 1140 N N 1.742 120.430 118.700 -0.020 0.000 2.466 1140 N HA 0.013 4.753 4.740 -0.000 0.000 0.251 1140 N C 1.062 176.539 175.510 -0.056 0.000 1.164 1140 N CA -0.273 52.751 53.050 -0.042 0.000 0.888 1140 N CB -0.261 38.208 38.487 -0.029 0.000 1.177 1140 N HN 0.536 nan 8.380 nan 0.000 0.498 1141 K N -0.359 120.005 120.400 -0.061 0.000 2.103 1141 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 1141 K C 1.487 177.925 176.600 -0.270 0.000 1.052 1141 K CA 1.417 57.662 56.287 -0.070 0.000 0.945 1141 K CB -0.412 32.121 32.500 0.056 0.000 0.722 1141 K HN 0.327 nan 8.250 nan 0.000 0.443 1142 S N 2.126 117.507 115.700 -0.532 0.000 2.355 1142 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 1142 S C 2.171 176.574 174.600 -0.329 0.000 1.031 1142 S CA 0.622 58.343 58.200 -0.799 0.000 0.993 1142 S CB -0.496 62.337 63.200 -0.612 0.000 0.859 1142 S HN 0.138 nan 8.310 nan 0.000 0.453 1143 L N 1.791 122.913 121.223 -0.169 0.000 2.083 1143 L HA -0.010 4.329 4.340 -0.000 0.000 0.209 1143 L C 2.982 179.785 176.870 -0.112 0.000 1.083 1143 L CA 1.869 56.649 54.840 -0.100 0.000 0.752 1143 L CB -1.676 40.344 42.059 -0.065 0.000 0.899 1143 L HN 0.548 nan 8.230 nan 0.000 0.433 1144 S N -0.569 115.074 115.700 -0.095 0.000 2.383 1144 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 1144 S C 2.090 176.655 174.600 -0.058 0.000 1.026 1144 S CA 1.142 59.310 58.200 -0.053 0.000 0.981 1144 S CB 0.129 63.316 63.200 -0.021 0.000 0.818 1144 S HN 0.451 nan 8.310 nan 0.000 0.472 1145 A N 1.107 123.874 122.820 -0.090 0.000 1.929 1145 A HA 0.101 4.420 4.320 -0.000 0.000 0.216 1145 A C 2.088 179.626 177.584 -0.078 0.000 1.176 1145 A CA 1.340 53.341 52.037 -0.060 0.000 0.628 1145 A CB -0.791 18.186 19.000 -0.037 0.000 0.816 1145 A HN 0.541 nan 8.150 nan 0.000 0.444 1146 L N 0.233 121.386 121.223 -0.117 0.000 2.046 1146 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 1146 L C 2.376 179.168 176.870 -0.130 0.000 1.077 1146 L CA 2.203 56.970 54.840 -0.122 0.000 0.747 1146 L CB -0.930 41.053 42.059 -0.128 0.000 0.896 1146 L HN 0.307 nan 8.230 nan 0.000 0.432 1147 G N -1.374 107.326 108.800 -0.167 0.000 2.432 1147 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 1147 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 1147 G C 1.285 176.212 174.900 0.045 0.000 1.135 1147 G CA 0.825 45.831 45.100 -0.158 0.000 0.767 1147 G HN 0.410 nan 8.290 nan 0.000 0.550 1148 D N 0.185 120.585 120.400 -0.001 0.000 2.123 1148 D HA -0.055 4.585 4.640 -0.000 0.000 0.200 1148 D C 2.798 179.065 176.300 -0.055 0.000 0.976 1148 D CA 0.574 54.572 54.000 -0.003 0.000 0.831 1148 D CB -0.237 40.551 40.800 -0.020 0.000 0.974 1148 D HN 0.186 nan 8.370 nan 0.000 0.469 1149 V N 1.513 121.369 119.914 -0.098 0.000 2.295 1149 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 1149 V C 2.577 178.612 176.094 -0.099 0.000 1.049 1149 V CA 1.062 63.261 62.300 -0.169 0.000 1.024 1149 V CB -0.308 31.415 31.823 -0.166 0.000 0.648 1149 V HN 0.169 nan 8.190 nan 0.000 0.447 1150 I N -0.081 120.466 120.570 -0.037 0.000 2.208 1150 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 1150 I C 2.563 178.703 176.117 0.037 0.000 1.097 1150 I CA 1.665 62.975 61.300 0.016 0.000 1.363 1150 I CB -0.327 37.707 38.000 0.056 0.000 1.051 1150 I HN 0.292 nan 8.210 nan 0.000 0.413 1151 S N 0.776 116.511 115.700 0.058 0.000 2.348 1151 S HA -0.171 4.299 4.470 -0.000 0.000 0.221 1151 S C 2.287 176.886 174.600 -0.002 0.000 1.033 1151 S CA 1.321 59.547 58.200 0.043 0.000 1.010 1151 S CB -0.483 62.754 63.200 0.063 0.000 0.891 1151 S HN 0.546 nan 8.310 nan 0.000 0.442 1152 A N 1.552 124.351 122.820 -0.034 0.000 1.883 1152 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 1152 A C 2.176 179.727 177.584 -0.056 0.000 1.186 1152 A CA 1.413 53.414 52.037 -0.059 0.000 0.624 1152 A CB -0.881 18.044 19.000 -0.125 0.000 0.822 1152 A HN 0.445 nan 8.150 nan 0.000 0.444 1153 L N -1.053 120.131 121.223 -0.065 0.000 2.056 1153 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 1153 L C 2.895 179.758 176.870 -0.011 0.000 1.078 1153 L CA 1.433 56.251 54.840 -0.038 0.000 0.749 1153 L CB -0.461 41.583 42.059 -0.025 0.000 0.901 1153 L HN 0.458 nan 8.230 nan 0.000 0.433 1154 S N -0.752 114.946 115.700 -0.003 0.000 2.383 1154 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 1154 S C 2.022 176.620 174.600 -0.003 0.000 1.030 1154 S CA 1.755 59.956 58.200 0.003 0.000 1.002 1154 S CB -0.055 63.151 63.200 0.010 0.000 0.829 1154 S HN 0.395 nan 8.310 nan 0.000 0.467 1155 S N -0.289 115.408 115.700 -0.006 0.000 2.562 1155 S HA 0.311 4.781 4.470 -0.000 0.000 0.221 1155 S C 1.260 175.857 174.600 -0.004 0.000 0.975 1155 S CA 0.567 58.764 58.200 -0.005 0.000 0.918 1155 S CB 0.202 63.400 63.200 -0.004 0.000 0.772 1155 S HN 0.865 nan 8.310 nan 0.000 0.531 1156 G N 2.387 111.184 108.800 -0.006 0.000 2.147 1156 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 1156 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 1156 G C -0.196 174.704 174.900 -0.001 0.000 1.005 1156 G CA -0.219 44.879 45.100 -0.002 0.000 0.713 1156 G HN 0.555 nan 8.290 nan 0.000 0.515 1157 N N -0.651 118.045 118.700 -0.007 0.000 2.416 1157 N HA 0.281 5.021 4.740 -0.000 0.000 0.246 1157 N C 1.173 176.686 175.510 0.006 0.000 1.260 1157 N CA 0.041 53.093 53.050 0.002 0.000 0.897 1157 N CB 0.382 38.867 38.487 -0.003 0.000 1.110 1157 N HN 0.242 nan 8.380 nan 0.000 0.439 1158 Q N 0.351 120.170 119.800 0.032 0.000 2.269 1158 Q HA -0.023 4.317 4.340 -0.000 0.000 0.201 1158 Q C -0.198 175.846 176.000 0.073 0.000 0.946 1158 Q CA 0.931 56.760 55.803 0.044 0.000 0.877 1158 Q CB 0.134 28.901 28.738 0.048 0.000 0.963 1158 Q HN 0.513 nan 8.270 nan 0.000 0.472 1159 H N 0.536 119.588 119.070 -0.030 0.000 2.519 1159 H HA 0.236 4.792 4.556 -0.000 0.000 0.316 1159 H C -0.939 174.330 175.328 -0.099 0.000 1.065 1159 H CA -0.622 55.399 56.048 -0.044 0.000 1.264 1159 H CB 0.483 30.227 29.762 -0.030 0.000 1.413 1159 H HN 0.028 nan 8.280 nan 0.000 0.465 1160 I N 8.468 128.693 120.570 -0.575 0.000 2.355 1160 I HA 0.178 4.348 4.170 -0.000 0.000 0.288 1160 I C -2.249 173.345 176.117 -0.872 0.000 0.999 1160 I CA -3.086 57.773 61.300 -0.736 0.000 1.163 1160 I CB 1.361 38.847 38.000 -0.857 0.000 1.316 1160 I HN 0.551 nan 8.210 nan 0.000 0.454 1161 P HA 0.053 nan 4.420 nan 0.000 0.231 1161 P C 0.272 177.445 177.300 -0.211 0.000 1.756 1161 P CA 0.006 62.872 63.100 -0.391 0.000 0.990 1161 P CB -0.204 31.363 31.700 -0.221 0.000 1.973 1162 Y N 0.926 121.168 120.300 -0.097 0.000 2.293 1162 Y HA -0.039 4.510 4.550 -0.000 0.000 0.291 1162 Y C 2.453 178.342 175.900 -0.019 0.000 1.137 1162 Y CA 1.120 59.188 58.100 -0.053 0.000 1.202 1162 Y CB -0.568 37.863 38.460 -0.048 0.000 0.990 1162 Y HN 0.112 nan 8.280 nan 0.000 0.537 1163 R N 0.149 120.739 120.500 0.150 0.000 2.323 1163 R HA -0.056 4.284 4.340 -0.000 0.000 0.198 1163 R C 1.030 177.375 176.300 0.076 0.000 0.988 1163 R CA 0.376 56.535 56.100 0.098 0.000 1.041 1163 R CB -0.247 30.105 30.300 0.087 0.000 0.926 1163 R HN 0.338 nan 8.270 nan 0.000 0.476 1164 N N -0.120 118.628 118.700 0.081 0.000 2.520 1164 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 1164 N C -0.155 175.445 175.510 0.149 0.000 1.068 1164 N CA 0.998 54.102 53.050 0.089 0.000 0.911 1164 N CB 0.054 38.583 38.487 0.070 0.000 0.961 1164 N HN 0.213 nan 8.380 nan 0.000 0.446 1165 H N -1.395 117.684 119.070 0.016 0.000 3.043 1165 H HA 0.123 4.679 4.556 -0.000 0.000 0.317 1165 H C -0.153 175.174 175.328 -0.003 0.000 1.321 1165 H CA -0.479 55.572 56.048 0.004 0.000 1.243 1165 H CB 0.983 30.739 29.762 -0.010 0.000 1.924 1165 H HN -0.211 nan 8.280 nan 0.000 0.527 1166 K N 1.757 122.017 120.400 -0.235 0.000 2.147 1166 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 1166 K C 1.875 178.529 176.600 0.091 0.000 1.049 1166 K CA 1.350 57.602 56.287 -0.057 0.000 0.936 1166 K CB 0.170 32.594 32.500 -0.127 0.000 0.722 1166 K HN 0.208 nan 8.250 nan 0.000 0.446 1167 L N 1.565 122.972 121.223 0.307 0.000 1.989 1167 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 1167 L C 2.234 179.090 176.870 -0.022 0.000 1.071 1167 L CA 2.266 57.119 54.840 0.023 0.000 0.749 1167 L CB -1.122 40.816 42.059 -0.202 0.000 0.890 1167 L HN 0.287 nan 8.230 nan 0.000 0.431 1168 T N -3.520 111.060 114.554 0.045 0.000 2.962 1168 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 1168 T C 1.806 176.550 174.700 0.073 0.000 1.088 1168 T CA 1.556 63.696 62.100 0.067 0.000 1.127 1168 T CB -0.457 68.486 68.868 0.124 0.000 0.883 1168 T HN 0.372 nan 8.240 nan 0.000 0.493 1169 M N 0.230 119.851 119.600 0.035 0.000 2.193 1169 M HA 0.145 4.625 4.480 -0.000 0.000 0.265 1169 M C 1.863 178.119 176.300 -0.073 0.000 1.071 1169 M CA 0.889 56.172 55.300 -0.028 0.000 1.140 1169 M CB -0.274 32.319 32.600 -0.012 0.000 1.369 1169 M HN 0.138 nan 8.290 nan 0.000 0.423 1170 L N 0.083 121.279 121.223 -0.044 0.000 2.201 1170 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 1170 L C 1.880 178.704 176.870 -0.077 0.000 1.105 1170 L CA 1.433 56.248 54.840 -0.041 0.000 0.775 1170 L CB -0.810 41.241 42.059 -0.013 0.000 0.913 1170 L HN 0.432 nan 8.230 nan 0.000 0.440 1171 M N -1.811 117.725 119.600 -0.106 0.000 2.493 1171 M HA 0.103 4.583 4.480 -0.000 0.000 0.244 1171 M C 1.915 178.117 176.300 -0.162 0.000 1.182 1171 M CA 0.083 55.300 55.300 -0.138 0.000 0.981 1171 M CB -0.418 32.074 32.600 -0.180 0.000 1.551 1171 M HN 0.028 nan 8.290 nan 0.000 0.476 1172 S N 2.298 117.835 115.700 -0.272 0.000 2.365 1172 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 1172 S C 1.422 175.794 174.600 -0.379 0.000 1.039 1172 S CA 2.306 60.150 58.200 -0.593 0.000 1.033 1172 S CB -0.192 62.680 63.200 -0.546 0.000 0.887 1172 S HN 0.653 nan 8.310 nan 0.000 0.447 1173 D N 0.898 121.179 120.400 -0.199 0.000 2.162 1173 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 1173 D C 1.850 178.114 176.300 -0.060 0.000 0.964 1173 D CA 1.039 54.974 54.000 -0.108 0.000 0.847 1173 D CB -0.932 39.829 40.800 -0.065 0.000 0.988 1173 D HN 0.279 nan 8.370 nan 0.000 0.480 1174 S N 0.040 115.702 115.700 -0.064 0.000 2.359 1174 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 1174 S C 0.636 175.235 174.600 -0.002 0.000 1.035 1174 S CA 0.536 58.715 58.200 -0.035 0.000 1.018 1174 S CB -0.209 62.941 63.200 -0.083 0.000 0.876 1174 S HN 0.154 nan 8.310 nan 0.000 0.448 1175 L N 1.220 122.440 121.223 -0.004 0.000 2.287 1175 L HA 0.521 4.861 4.340 -0.000 0.000 0.280 1175 L C 1.243 178.196 176.870 0.140 0.000 1.055 1175 L CA 0.361 55.240 54.840 0.066 0.000 0.863 1175 L CB -0.173 41.928 42.059 0.070 0.000 1.245 1175 L HN 0.400 nan 8.230 nan 0.000 0.432 1176 G N 2.008 110.867 108.800 0.098 0.000 2.268 1176 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.240 1176 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.240 1176 G C 0.623 175.573 174.900 0.084 0.000 1.010 1176 G CA 0.066 45.234 45.100 0.112 0.000 0.618 1176 G HN 0.916 nan 8.290 nan 0.000 0.516 1177 G N 0.008 108.834 108.800 0.043 0.000 2.630 1177 G HA2 0.428 4.388 3.960 -0.000 0.000 0.223 1177 G HA3 0.428 4.388 3.960 -0.000 0.000 0.223 1177 G C 0.102 175.010 174.900 0.013 0.000 1.434 1177 G CA 0.347 45.452 45.100 0.009 0.000 1.057 1177 G HN 0.653 nan 8.290 nan 0.000 0.570 1178 N N 0.741 119.446 118.700 0.008 0.000 2.605 1178 N HA 0.490 5.230 4.740 -0.000 0.000 0.258 1178 N C -0.391 175.140 175.510 0.036 0.000 1.156 1178 N CA 0.292 53.360 53.050 0.030 0.000 1.008 1178 N CB -0.251 38.256 38.487 0.033 0.000 1.354 1178 N HN 0.740 nan 8.380 nan 0.000 0.509 1179 A N 2.286 125.124 122.820 0.030 0.000 2.597 1179 A HA 0.448 4.768 4.320 -0.000 0.000 0.292 1179 A C -1.236 176.333 177.584 -0.024 0.000 1.057 1179 A CA -0.898 51.150 52.037 0.017 0.000 0.674 1179 A CB 1.042 20.041 19.000 -0.001 0.000 1.278 1179 A HN 0.387 nan 8.150 nan 0.000 0.416 1180 K N 1.166 121.526 120.400 -0.066 0.000 2.293 1180 K HA 0.623 4.943 4.320 -0.000 0.000 0.267 1180 K C -1.025 175.524 176.600 -0.085 0.000 1.010 1180 K CA -0.199 56.019 56.287 -0.115 0.000 0.875 1180 K CB 1.787 34.145 32.500 -0.236 0.000 1.106 1180 K HN 0.694 nan 8.250 nan 0.000 0.450 1181 T N 2.954 117.475 114.554 -0.055 0.000 2.856 1181 T HA 0.439 4.789 4.350 -0.000 0.000 0.283 1181 T C -1.221 173.431 174.700 -0.080 0.000 1.008 1181 T CA -0.692 61.394 62.100 -0.024 0.000 0.997 1181 T CB 1.177 70.087 68.868 0.070 0.000 0.992 1181 T HN 0.288 nan 8.240 nan 0.000 0.454 1182 L N 3.640 124.785 121.223 -0.131 0.000 2.376 1182 L HA 0.714 5.054 4.340 -0.000 0.000 0.275 1182 L C -0.818 175.827 176.870 -0.375 0.000 0.987 1182 L CA -0.694 53.964 54.840 -0.305 0.000 0.828 1182 L CB 1.591 43.422 42.059 -0.381 0.000 1.249 1182 L HN 0.763 nan 8.230 nan 0.000 0.409 1183 M N 4.446 123.728 119.600 -0.530 0.000 2.336 1183 M HA 0.512 4.992 4.480 -0.000 0.000 0.342 1183 M C -1.755 174.189 176.300 -0.594 0.000 1.128 1183 M CA -0.331 54.479 55.300 -0.816 0.000 1.016 1183 M CB 1.328 33.420 32.600 -0.846 0.000 1.665 1183 M HN 0.597 nan 8.290 nan 0.000 0.445 1184 F N 3.693 123.395 119.950 -0.414 0.000 2.411 1184 F HA 0.484 5.011 4.527 -0.000 0.000 0.352 1184 F C -0.262 175.470 175.800 -0.114 0.000 1.123 1184 F CA -0.515 57.396 58.000 -0.147 0.000 1.044 1184 F CB 1.835 40.804 39.000 -0.052 0.000 1.135 1184 F HN 0.328 nan 8.300 nan 0.000 0.461 1185 V N 5.861 125.792 119.914 0.028 0.000 2.311 1185 V HA 0.419 4.539 4.120 -0.000 0.000 0.275 1185 V C -0.785 175.358 176.094 0.081 0.000 1.022 1185 V CA -0.519 61.800 62.300 0.033 0.000 0.830 1185 V CB 0.492 32.228 31.823 -0.145 0.000 1.012 1185 V HN 0.736 nan 8.190 nan 0.000 0.452 1186 N N 7.724 126.504 118.700 0.132 0.000 2.434 1186 N HA 0.557 5.297 4.740 -0.000 0.000 0.272 1186 N C -0.894 174.652 175.510 0.060 0.000 1.040 1186 N CA -0.364 52.749 53.050 0.104 0.000 0.956 1186 N CB 1.157 39.703 38.487 0.099 0.000 1.108 1186 N HN 0.481 nan 8.380 nan 0.000 0.481 1187 I N 0.788 121.382 120.570 0.041 0.000 2.498 1187 I HA 0.264 4.433 4.170 -0.000 0.000 0.290 1187 I C -0.055 176.068 176.117 0.011 0.000 1.032 1187 I CA -0.570 60.739 61.300 0.014 0.000 1.073 1187 I CB 1.722 39.719 38.000 -0.005 0.000 1.251 1187 I HN 0.408 nan 8.210 nan 0.000 0.426 1188 S N 7.447 123.147 115.700 0.000 0.000 2.499 1188 S HA 0.435 4.904 4.470 -0.000 0.000 0.279 1188 S C -1.438 173.164 174.600 0.003 0.000 1.219 1188 S CA -1.327 56.873 58.200 -0.001 0.000 1.062 1188 S CB 1.118 64.315 63.200 -0.005 0.000 0.978 1188 S HN 0.425 nan 8.310 nan 0.000 0.489 1189 P HA 0.102 nan 4.420 nan 0.000 0.225 1189 P C 0.251 177.565 177.300 0.023 0.000 1.156 1189 P CA 0.293 63.406 63.100 0.022 0.000 0.787 1189 P CB -0.209 31.506 31.700 0.024 0.000 0.802 1190 A N 0.998 123.827 122.820 0.015 0.000 2.531 1190 A HA -0.076 4.243 4.320 -0.000 0.000 0.236 1190 A C 1.713 179.315 177.584 0.030 0.000 1.062 1190 A CA 0.037 52.085 52.037 0.019 0.000 0.760 1190 A CB -0.280 18.727 19.000 0.011 0.000 0.995 1190 A HN 0.170 nan 8.150 nan 0.000 0.501 1191 E N 1.656 121.878 120.200 0.037 0.000 2.110 1191 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 1191 E C 1.925 178.555 176.600 0.051 0.000 0.988 1191 E CA 1.585 58.015 56.400 0.050 0.000 0.804 1191 E CB -0.060 29.668 29.700 0.046 0.000 0.745 1191 E HN 0.915 nan 8.360 nan 0.000 0.458 1192 S N 0.026 115.748 115.700 0.038 0.000 2.507 1192 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 1192 S C 1.240 175.867 174.600 0.045 0.000 0.988 1192 S CA 0.652 58.875 58.200 0.038 0.000 0.944 1192 S CB -0.028 63.188 63.200 0.026 0.000 0.762 1192 S HN 0.207 nan 8.310 nan 0.000 0.526 1193 N N 0.675 119.400 118.700 0.042 0.000 2.203 1193 N HA 0.309 5.049 4.740 -0.000 0.000 0.207 1193 N C 1.175 176.716 175.510 0.051 0.000 1.130 1193 N CA -0.038 53.036 53.050 0.040 0.000 0.861 1193 N CB -0.022 38.477 38.487 0.019 0.000 1.005 1193 N HN 0.352 nan 8.380 nan 0.000 0.507 1194 L N 0.588 121.857 121.223 0.077 0.000 2.081 1194 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 1194 L C 1.507 178.477 176.870 0.166 0.000 1.080 1194 L CA 1.500 56.402 54.840 0.104 0.000 0.754 1194 L CB 0.018 42.201 42.059 0.207 0.000 0.893 1194 L HN 0.019 nan 8.230 nan 0.000 0.433 1195 D N -0.482 120.048 120.400 0.216 0.000 2.078 1195 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 1195 D C 2.176 178.569 176.300 0.156 0.000 0.990 1195 D CA 1.102 55.260 54.000 0.264 0.000 0.827 1195 D CB -0.052 40.873 40.800 0.209 0.000 0.975 1195 D HN 0.227 nan 8.370 nan 0.000 0.451 1196 E N -0.041 120.220 120.200 0.101 0.000 2.153 1196 E HA -0.093 4.256 4.350 -0.000 0.000 0.194 1196 E C 2.144 178.765 176.600 0.036 0.000 0.988 1196 E CA 0.752 57.195 56.400 0.072 0.000 0.811 1196 E CB -0.506 29.224 29.700 0.049 0.000 0.746 1196 E HN 0.261 nan 8.360 nan 0.000 0.466 1197 T N -0.211 114.338 114.554 -0.008 0.000 2.746 1197 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 1197 T C 1.739 176.340 174.700 -0.165 0.000 1.039 1197 T CA 1.649 63.700 62.100 -0.081 0.000 1.142 1197 T CB -0.316 68.477 68.868 -0.125 0.000 0.866 1197 T HN 0.311 nan 8.240 nan 0.000 0.444 1198 H N 1.718 120.590 119.070 -0.330 0.000 2.389 1198 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 1198 H C 2.178 177.355 175.328 -0.252 0.000 1.081 1198 H CA 1.432 57.192 56.048 -0.479 0.000 1.345 1198 H CB -0.172 29.003 29.762 -0.977 0.000 1.393 1198 H HN 0.144 nan 8.280 nan 0.000 0.520 1199 N N -0.177 118.449 118.700 -0.123 0.000 2.084 1199 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 1199 N C 2.061 177.595 175.510 0.040 0.000 1.030 1199 N CA 1.400 54.424 53.050 -0.042 0.000 0.849 1199 N CB -0.470 38.105 38.487 0.145 0.000 1.012 1199 N HN 0.271 nan 8.380 nan 0.000 0.423 1200 S N 1.246 117.003 115.700 0.095 0.000 2.353 1200 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 1200 S C 2.121 176.724 174.600 0.006 0.000 1.035 1200 S CA 0.744 59.058 58.200 0.190 0.000 1.025 1200 S CB -0.357 62.948 63.200 0.174 0.000 0.902 1200 S HN 0.249 nan 8.310 nan 0.000 0.440 1201 L N 0.961 122.087 121.223 -0.162 0.000 2.079 1201 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 1201 L C 2.644 179.436 176.870 -0.129 0.000 1.081 1201 L CA 1.166 55.875 54.840 -0.218 0.000 0.752 1201 L CB -1.172 40.508 42.059 -0.633 0.000 0.896 1201 L HN 0.332 nan 8.230 nan 0.000 0.433 1202 T N -1.326 113.060 114.554 -0.280 0.000 2.701 1202 T HA -0.204 4.146 4.350 -0.000 0.000 0.263 1202 T C 1.753 176.339 174.700 -0.190 0.000 1.040 1202 T CA 1.417 63.354 62.100 -0.272 0.000 1.147 1202 T CB -0.374 68.212 68.868 -0.471 0.000 0.865 1202 T HN 0.244 nan 8.240 nan 0.000 0.426 1203 Y N 1.285 121.513 120.300 -0.120 0.000 2.181 1203 Y HA -0.086 4.464 4.550 -0.000 0.000 0.288 1203 Y C 2.763 178.581 175.900 -0.137 0.000 1.146 1203 Y CA 0.799 58.811 58.100 -0.147 0.000 1.164 1203 Y CB -0.404 37.902 38.460 -0.257 0.000 0.982 1203 Y HN 0.200 nan 8.280 nan 0.000 0.515 1204 A N -0.678 122.162 122.820 0.033 0.000 1.902 1204 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 1204 A C 2.342 180.047 177.584 0.202 0.000 1.181 1204 A CA 2.044 54.114 52.037 0.056 0.000 0.623 1204 A CB -0.947 18.041 19.000 -0.020 0.000 0.818 1204 A HN 0.393 nan 8.150 nan 0.000 0.443 1205 S N -0.511 115.325 115.700 0.227 0.000 2.419 1205 S HA -0.127 4.342 4.470 -0.000 0.000 0.233 1205 S C 1.982 176.610 174.600 0.046 0.000 1.016 1205 S CA 1.291 59.565 58.200 0.122 0.000 0.974 1205 S CB -0.257 62.971 63.200 0.048 0.000 0.786 1205 S HN 0.616 nan 8.310 nan 0.000 0.492 1206 R N 0.413 120.934 120.500 0.036 0.000 2.115 1206 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 1206 R C 2.102 178.428 176.300 0.043 0.000 1.100 1206 R CA 0.792 56.905 56.100 0.023 0.000 0.980 1206 R CB -0.433 29.878 30.300 0.019 0.000 0.875 1206 R HN 0.235 nan 8.270 nan 0.000 0.445 1207 V N 1.113 121.066 119.914 0.064 0.000 2.407 1207 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 1207 V C 2.225 178.352 176.094 0.055 0.000 1.055 1207 V CA 1.604 63.945 62.300 0.069 0.000 1.049 1207 V CB -0.462 31.412 31.823 0.085 0.000 0.662 1207 V HN 0.281 nan 8.190 nan 0.000 0.455 1208 R N 0.745 121.280 120.500 0.057 0.000 2.159 1208 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 1208 R C 2.171 178.480 176.300 0.015 0.000 1.131 1208 R CA 1.626 57.750 56.100 0.040 0.000 0.982 1208 R CB -0.362 29.964 30.300 0.042 0.000 0.868 1208 R HN 0.686 nan 8.270 nan 0.000 0.453 1209 S N -0.231 115.476 115.700 0.012 0.000 2.634 1209 S HA 0.165 4.635 4.470 -0.000 0.000 0.221 1209 S C 0.673 175.277 174.600 0.008 0.000 0.952 1209 S CA -0.271 57.929 58.200 0.001 0.000 0.930 1209 S CB -0.077 63.119 63.200 -0.007 0.000 0.780 1209 S HN 0.074 nan 8.310 nan 0.000 0.498 1210 I N 2.089 122.670 120.570 0.018 0.000 2.371 1210 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 1210 I C -0.602 175.526 176.117 0.019 0.000 1.028 1210 I CA -0.733 60.580 61.300 0.022 0.000 1.345 1210 I CB 1.631 39.654 38.000 0.038 0.000 1.407 1210 I HN -0.011 nan 8.210 nan 0.000 0.501 1211 V N 7.089 127.013 119.914 0.016 0.000 2.318 1211 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 1211 V C 0.152 176.258 176.094 0.021 0.000 1.030 1211 V CA -0.639 61.669 62.300 0.013 0.000 0.844 1211 V CB 0.835 32.663 31.823 0.009 0.000 1.015 1211 V HN 0.654 nan 8.190 nan 0.000 0.460 1212 N N 2.878 121.589 118.700 0.018 0.000 2.413 1212 N HA 0.317 5.057 4.740 -0.000 0.000 0.266 1212 N C -0.285 175.237 175.510 0.019 0.000 1.238 1212 N CA -0.510 52.553 53.050 0.022 0.000 0.972 1212 N CB 0.796 39.292 38.487 0.015 0.000 1.210 1212 N HN 0.647 nan 8.380 nan 0.000 0.547 1213 D N 0.174 120.590 120.400 0.027 0.000 2.502 1213 D HA 0.278 4.918 4.640 -0.000 0.000 0.301 1213 D C -2.524 173.806 176.300 0.050 0.000 1.202 1213 D CA -1.694 52.326 54.000 0.034 0.000 0.878 1213 D CB 0.403 41.224 40.800 0.035 0.000 1.062 1213 D HN 0.259 nan 8.370 nan 0.000 0.499 1214 P HA 0.202 nan 4.420 nan 0.000 0.272 1214 P C -0.518 176.915 177.300 0.223 0.000 1.223 1214 P CA -0.263 62.903 63.100 0.111 0.000 0.784 1214 P CB 1.416 33.111 31.700 -0.007 0.000 0.923 1215 S N 0.458 116.349 115.700 0.319 0.000 2.542 1215 S HA 0.227 4.697 4.470 -0.000 0.000 0.276 1215 S C -1.088 173.515 174.600 0.006 0.000 1.148 1215 S CA -0.884 57.440 58.200 0.207 0.000 0.886 1215 S CB 0.840 64.093 63.200 0.088 0.000 1.109 1215 S HN 0.280 nan 8.310 nan 0.000 0.458 1216 K N 3.183 123.401 120.400 -0.303 0.000 2.412 1216 K HA 0.176 4.496 4.320 -0.000 0.000 0.284 1216 K C -0.223 176.270 176.600 -0.178 0.000 1.046 1216 K CA -0.209 55.800 56.287 -0.464 0.000 0.999 1216 K CB 0.086 32.297 32.500 -0.482 0.000 0.941 1216 K HN 0.468 nan 8.250 nan 0.000 0.474 1217 N N 3.337 121.966 118.700 -0.118 0.000 2.399 1217 N HA 0.045 4.785 4.740 -0.000 0.000 0.259 1217 N C -0.195 175.287 175.510 -0.046 0.000 1.160 1217 N CA -0.051 52.969 53.050 -0.051 0.000 0.946 1217 N CB 0.870 39.346 38.487 -0.019 0.000 1.156 1217 N HN 0.294 nan 8.380 nan 0.000 0.489 1218 V N -0.471 119.420 119.914 -0.038 0.000 2.815 1218 V HA 0.794 4.914 4.120 -0.000 0.000 0.314 1218 V C 0.134 176.218 176.094 -0.017 0.000 1.064 1218 V CA -0.602 61.682 62.300 -0.026 0.000 0.952 1218 V CB 2.064 33.869 31.823 -0.029 0.000 1.020 1218 V HN 0.411 nan 8.190 nan 0.000 0.439 1219 S N 1.370 117.062 115.700 -0.013 0.000 2.588 1219 S HA 0.825 5.295 4.470 -0.000 0.000 0.275 1219 S C -0.258 174.331 174.600 -0.019 0.000 1.130 1219 S CA -0.213 57.978 58.200 -0.015 0.000 0.855 1219 S CB 2.054 65.246 63.200 -0.014 0.000 1.116 1219 S HN 1.457 nan 8.310 nan 0.000 0.472 1220 S N 0.837 116.523 115.700 -0.022 0.000 2.786 1220 S HA 0.531 5.001 4.470 -0.000 0.000 0.307 1220 S C 0.800 175.380 174.600 -0.033 0.000 1.121 1220 S CA -0.804 57.379 58.200 -0.028 0.000 0.975 1220 S CB 0.775 63.960 63.200 -0.025 0.000 1.220 1220 S HN 0.611 nan 8.310 nan 0.000 0.550 1221 K N 0.415 120.792 120.400 -0.038 0.000 2.001 1221 K HA -0.159 4.160 4.320 -0.000 0.000 0.214 1221 K C 2.103 178.679 176.600 -0.039 0.000 1.050 1221 K CA 1.914 58.175 56.287 -0.043 0.000 0.934 1221 K CB -0.435 32.038 32.500 -0.045 0.000 0.718 1221 K HN 0.629 nan 8.250 nan 0.000 0.443 1222 E N 0.760 120.939 120.200 -0.035 0.000 2.085 1222 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 1222 E C 1.866 178.447 176.600 -0.033 0.000 0.994 1222 E CA 1.077 57.457 56.400 -0.033 0.000 0.801 1222 E CB -0.208 29.476 29.700 -0.028 0.000 0.743 1222 E HN 0.075 nan 8.360 nan 0.000 0.453 1223 V N 0.910 120.807 119.914 -0.028 0.000 2.282 1223 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 1223 V C 2.342 178.417 176.094 -0.030 0.000 1.057 1223 V CA 2.090 64.375 62.300 -0.026 0.000 1.032 1223 V CB -1.243 30.567 31.823 -0.021 0.000 0.645 1223 V HN 0.424 nan 8.190 nan 0.000 0.447 1224 A N 0.409 123.209 122.820 -0.033 0.000 1.841 1224 A HA -0.311 4.009 4.320 -0.000 0.000 0.216 1224 A C 2.302 179.858 177.584 -0.047 0.000 1.199 1224 A CA 2.547 54.561 52.037 -0.037 0.000 0.621 1224 A CB -0.688 18.289 19.000 -0.039 0.000 0.835 1224 A HN 0.474 nan 8.150 nan 0.000 0.445 1225 R N -0.547 119.922 120.500 -0.052 0.000 2.136 1225 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 1225 R C 1.820 178.076 176.300 -0.074 0.000 1.131 1225 R CA 2.179 58.240 56.100 -0.065 0.000 0.937 1225 R CB -1.097 29.166 30.300 -0.061 0.000 0.863 1225 R HN 0.387 nan 8.270 nan 0.000 0.435 1226 L N 0.849 122.037 121.223 -0.059 0.000 2.042 1226 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 1226 L C 2.363 179.199 176.870 -0.056 0.000 1.076 1226 L CA 1.903 56.709 54.840 -0.056 0.000 0.749 1226 L CB -0.721 41.315 42.059 -0.037 0.000 0.893 1226 L HN 0.225 nan 8.230 nan 0.000 0.432 1227 K N -0.085 120.287 120.400 -0.047 0.000 2.009 1227 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 1227 K C 2.020 178.587 176.600 -0.054 0.000 1.049 1227 K CA 1.588 57.850 56.287 -0.041 0.000 0.929 1227 K CB -0.138 32.343 32.500 -0.032 0.000 0.714 1227 K HN 0.167 nan 8.250 nan 0.000 0.440 1228 K N 0.613 120.972 120.400 -0.068 0.000 2.574 1228 K HA -0.067 4.253 4.320 -0.000 0.000 0.193 1228 K C 1.152 177.685 176.600 -0.112 0.000 1.035 1228 K CA 0.690 56.931 56.287 -0.077 0.000 0.982 1228 K CB 0.234 32.687 32.500 -0.078 0.000 0.795 1228 K HN 0.170 nan 8.250 nan 0.000 0.491 1229 L N 0.557 121.703 121.223 -0.128 0.000 2.920 1229 L HA 0.038 4.378 4.340 -0.000 0.000 0.257 1229 L C 1.708 178.534 176.870 -0.073 0.000 1.150 1229 L CA 0.105 54.834 54.840 -0.185 0.000 0.959 1229 L CB 0.791 42.660 42.059 -0.315 0.000 1.321 1229 L HN 0.066 nan 8.230 nan 0.000 0.555 1230 V N -2.666 117.217 119.914 -0.051 0.000 2.469 1230 V HA -0.190 3.929 4.120 -0.000 0.000 0.251 1230 V C 2.274 178.357 176.094 -0.018 0.000 1.064 1230 V CA 2.021 64.309 62.300 -0.019 0.000 1.066 1230 V CB -1.070 30.743 31.823 -0.017 0.000 0.667 1230 V HN 0.521 nan 8.190 nan 0.000 0.461 1231 S N -1.545 114.133 115.700 -0.038 0.000 2.603 1231 S HA 0.024 4.494 4.470 -0.000 0.000 0.220 1231 S C 1.186 175.710 174.600 -0.128 0.000 0.967 1231 S CA 0.113 58.286 58.200 -0.045 0.000 0.920 1231 S CB -0.948 62.230 63.200 -0.036 0.000 0.773 1231 S HN 0.683 nan 8.310 nan 0.000 0.529 1232 Y N 4.276 124.337 120.300 -0.398 0.000 3.096 1232 Y HA 0.308 4.858 4.550 -0.000 0.000 0.377 1232 Y C 0.298 175.612 175.900 -0.977 0.000 1.107 1232 Y CA -1.324 56.242 58.100 -0.890 0.000 2.045 1232 Y CB -1.830 36.223 38.460 -0.678 0.000 2.203 1232 Y HN 0.526 nan 8.280 nan 0.000 0.408 1246 L N 2.525 123.742 121.223 -0.011 0.000 2.529 1246 L HA 0.107 4.447 4.340 -0.000 0.000 0.287 1246 L C 0.349 177.212 176.870 -0.012 0.000 1.241 1246 L CA 0.983 55.814 54.840 -0.015 0.000 0.857 1246 L CB 0.036 42.082 42.059 -0.022 0.000 1.113 1246 L HN 0.089 nan 8.230 nan 0.000 0.504 1247 E N 0.934 121.126 120.200 -0.014 0.000 2.299 1247 E HA 0.295 4.645 4.350 -0.000 0.000 0.265 1247 E C -0.937 175.655 176.600 -0.013 0.000 0.911 1247 E CA -0.907 55.487 56.400 -0.010 0.000 0.789 1247 E CB 1.546 31.242 29.700 -0.007 0.000 1.246 1247 E HN 0.367 nan 8.360 nan 0.000 0.427 1248 E N 1.242 121.437 120.200 -0.007 0.000 2.398 1248 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 1248 E C 0.260 176.854 176.600 -0.010 0.000 1.046 1248 E CA -0.113 56.283 56.400 -0.006 0.000 0.908 1248 E CB 0.460 30.163 29.700 0.004 0.000 0.963 1248 E HN 0.344 nan 8.360 nan 0.000 0.431 1249 I N 2.030 122.590 120.570 -0.017 0.000 2.710 1249 I HA -0.107 4.063 4.170 -0.000 0.000 0.286 1249 I C 1.017 177.142 176.117 0.013 0.000 1.181 1249 I CA 0.589 61.870 61.300 -0.032 0.000 1.430 1249 I CB -0.099 37.873 38.000 -0.047 0.000 1.367 1249 I HN 0.408 nan 8.210 nan 0.000 0.577 1250 Q N 4.291 124.103 119.800 0.019 0.000 2.222 1250 Q HA 0.190 4.530 4.340 -0.000 0.000 0.252 1250 Q C -0.773 175.345 176.000 0.197 0.000 0.926 1250 Q CA -0.596 55.256 55.803 0.082 0.000 0.899 1250 Q CB 1.345 30.121 28.738 0.063 0.000 1.250 1250 Q HN 0.444 nan 8.270 nan 0.000 0.441 1251 D N 2.569 123.087 120.400 0.196 0.000 2.889 1251 D HA 0.153 4.793 4.640 -0.000 0.000 0.243 1251 D C -0.678 175.712 176.300 0.149 0.000 1.270 1251 D CA 0.316 54.441 54.000 0.209 0.000 0.838 1251 D CB 0.264 41.176 40.800 0.186 0.000 1.040 1251 D HN 0.409 nan 8.370 nan 0.000 0.480 1252 E N 0.000 120.324 120.200 0.207 0.000 2.725 1252 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1252 E CA 0.000 56.486 56.400 0.143 0.000 0.976 1252 E CB 0.000 29.769 29.700 0.115 0.000 0.812 1252 E HN 0.000 nan 8.360 nan 0.000 0.440