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 2ius_1_A DATA FIRST_RESID 840 DATA SEQUENCE LPSLDLLTPP XXXXXXXXTF ALEQMARLVE ARLADFRIKA DVVNYSPGPV DATA SEQUENCE ITRFELNLAP GVKAARISNL SRDLARSLST VAVRVVEVIP GKPYVGLELP DATA SEQUENCE NKKRQTVYLR EVLDNAKFRD NPSPLTVVLG KDIAGEPVVA DLAKMPHLLV DATA SEQUENCE AGTTGSGASV GVNAMILSML YKAQPEDVRF IMIDPKMLEL SVYEGIPHLL DATA SEQUENCE TEVVTDMKDA ANALRWCVNE MERRYKLMSA LGVRNLAGYN EKIAEADRMM DATA SEQUENCE RPIPDPYWXX XXXXXXXHPV LKKEPYIVVL VDEFADLMMT VGKKVEELIA DATA SEQUENCE RLAQKARAAG IHLVLATQRP SVDVITGLIK ANIPTRIAFT VSSKIDSRTI DATA SEQUENCE LDQAGAESLL GMGDMLYSGP NSTLPVRVHG AFVRDQEVHA VVQDWKARGR DATA SEQUENCE PQYVDGITSD 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 840 L HA 0.000 nan 4.340 nan 0.000 0.249 840 L C 0.000 176.731 176.870 -0.232 0.000 1.165 840 L CA 0.000 54.776 54.840 -0.106 0.000 0.813 840 L CB 0.000 41.921 42.059 -0.230 0.000 0.961 841 P HA 0.081 nan 4.420 nan 0.000 0.272 841 P C -0.225 176.989 177.300 -0.143 0.000 1.230 841 P CA 0.406 63.268 63.100 -0.397 0.000 0.788 841 P CB 1.231 32.571 31.700 -0.601 0.000 0.949 842 S N 0.192 115.872 115.700 -0.033 0.000 2.592 842 S HA 0.184 4.664 4.470 0.016 0.000 0.271 842 S C 1.461 176.222 174.600 0.269 0.000 1.326 842 S CA -0.664 57.598 58.200 0.103 0.000 1.024 842 S CB -0.048 63.176 63.200 0.040 0.000 0.921 842 S HN 0.363 nan 8.310 nan 0.000 0.527 843 L N 2.138 123.500 121.223 0.232 0.000 2.552 843 L HA 0.016 4.365 4.340 0.016 0.000 0.227 843 L C 1.390 178.308 176.870 0.080 0.000 1.146 843 L CA 0.477 55.406 54.840 0.149 0.000 0.858 843 L CB -0.372 41.712 42.059 0.042 0.000 0.969 843 L HN 0.687 nan 8.230 nan 0.000 0.451 844 D N -0.437 120.008 120.400 0.076 0.000 2.349 844 D HA -0.114 4.536 4.640 0.016 0.000 0.224 844 D C 1.683 178.013 176.300 0.051 0.000 1.029 844 D CA 0.487 54.513 54.000 0.042 0.000 0.879 844 D CB -0.178 40.638 40.800 0.027 0.000 0.906 844 D HN 0.292 nan 8.370 nan 0.000 0.528 845 L N -0.679 120.598 121.223 0.089 0.000 2.591 845 L HA 0.231 4.580 4.340 0.016 0.000 0.228 845 L C 0.358 177.280 176.870 0.087 0.000 1.133 845 L CA 0.175 55.069 54.840 0.089 0.000 0.880 845 L CB -0.027 42.105 42.059 0.122 0.000 1.033 845 L HN -0.011 nan 8.230 nan 0.000 0.450 846 L N -0.835 120.429 121.223 0.068 0.000 2.386 846 L HA 0.340 4.690 4.340 0.016 0.000 0.271 846 L C 0.427 177.311 176.870 0.023 0.000 0.993 846 L CA -0.576 54.289 54.840 0.043 0.000 0.819 846 L CB 1.988 44.047 42.059 -0.002 0.000 1.294 846 L HN -0.146 nan 8.230 nan 0.000 0.414 847 T N 1.982 116.565 114.554 0.048 0.000 2.946 847 T HA 0.218 4.578 4.350 0.016 0.000 0.311 847 T C -2.397 172.243 174.700 -0.100 0.000 1.063 847 T CA -0.547 61.558 62.100 0.007 0.000 1.139 847 T CB 0.644 69.563 68.868 0.085 0.000 0.994 847 T HN 0.267 nan 8.240 nan 0.000 0.547 848 P HA 0.403 nan 4.420 nan 0.000 0.284 848 P C -2.085 174.907 177.300 -0.512 0.000 1.258 848 P CA -1.569 61.383 63.100 -0.246 0.000 0.824 848 P CB 0.176 31.787 31.700 -0.149 0.000 1.038 859 F N 3.653 123.617 119.950 0.022 0.000 2.128 859 F HA 0.529 5.065 4.527 0.015 0.000 0.295 859 F C 2.537 178.335 175.800 -0.003 0.000 1.100 859 F CA 1.486 59.496 58.000 0.018 0.000 1.260 859 F CB -0.754 38.255 39.000 0.016 0.000 1.009 859 F HN 0.314 nan 8.300 nan 0.000 0.476 860 A N 0.942 123.625 122.820 -0.227 0.000 2.024 860 A HA -0.132 4.198 4.320 0.016 0.000 0.220 860 A C 2.306 179.718 177.584 -0.288 0.000 1.164 860 A CA 1.826 53.669 52.037 -0.324 0.000 0.643 860 A CB -1.135 17.802 19.000 -0.105 0.000 0.806 860 A HN 0.537 nan 8.150 nan 0.000 0.451 861 L N -1.392 119.686 121.223 -0.242 0.000 1.961 861 L HA -0.159 4.191 4.340 0.016 0.000 0.209 861 L C 2.603 179.276 176.870 -0.328 0.000 1.075 861 L CA 1.762 56.405 54.840 -0.327 0.000 0.749 861 L CB -0.792 40.911 42.059 -0.593 0.000 0.890 861 L HN 0.458 nan 8.230 nan 0.000 0.433 862 E N -0.454 119.583 120.200 -0.272 0.000 2.219 862 E HA -0.270 4.090 4.350 0.016 0.000 0.198 862 E C 2.273 178.807 176.600 -0.111 0.000 0.998 862 E CA 1.072 57.442 56.400 -0.051 0.000 0.818 862 E CB 0.168 29.944 29.700 0.127 0.000 0.741 862 E HN 0.363 nan 8.360 nan 0.000 0.477 863 Q N -0.335 119.298 119.800 -0.278 0.000 2.079 863 Q HA -0.161 4.188 4.340 0.016 0.000 0.200 863 Q C 2.095 177.965 176.000 -0.216 0.000 0.974 863 Q CA 1.208 56.833 55.803 -0.297 0.000 0.840 863 Q CB -0.255 28.155 28.738 -0.548 0.000 0.898 863 Q HN 0.328 nan 8.270 nan 0.000 0.430 864 M N 0.423 119.888 119.600 -0.225 0.000 2.175 864 M HA -0.009 4.481 4.480 0.016 0.000 0.264 864 M C 1.845 177.922 176.300 -0.371 0.000 1.063 864 M CA 1.579 56.729 55.300 -0.250 0.000 1.119 864 M CB -0.527 31.964 32.600 -0.182 0.000 1.377 864 M HN 0.103 nan 8.290 nan 0.000 0.415 865 A N -0.253 122.419 122.820 -0.245 0.000 1.933 865 A HA -0.163 4.166 4.320 0.016 0.000 0.218 865 A C 2.374 179.883 177.584 -0.125 0.000 1.175 865 A CA 1.835 53.764 52.037 -0.180 0.000 0.628 865 A CB -0.696 18.442 19.000 0.230 0.000 0.814 865 A HN 0.584 nan 8.150 nan 0.000 0.444 866 R N -0.604 119.843 120.500 -0.088 0.000 2.115 866 R HA 0.083 4.433 4.340 0.016 0.000 0.226 866 R C 1.819 178.069 176.300 -0.083 0.000 1.100 866 R CA 0.937 57.002 56.100 -0.058 0.000 0.980 866 R CB -0.251 30.027 30.300 -0.036 0.000 0.875 866 R HN 0.537 nan 8.270 nan 0.000 0.445 867 L N -0.361 120.787 121.223 -0.125 0.000 2.179 867 L HA -0.079 4.270 4.340 0.016 0.000 0.208 867 L C 2.193 178.988 176.870 -0.126 0.000 1.096 867 L CA 0.516 55.289 54.840 -0.111 0.000 0.779 867 L CB -0.172 41.814 42.059 -0.122 0.000 0.922 867 L HN 0.050 nan 8.230 nan 0.000 0.443 868 V N 0.090 119.880 119.914 -0.205 0.000 2.307 868 V HA -0.291 3.838 4.120 0.016 0.000 0.245 868 V C 2.424 178.439 176.094 -0.131 0.000 1.045 868 V CA 1.972 64.141 62.300 -0.218 0.000 1.024 868 V CB -0.387 31.205 31.823 -0.386 0.000 0.651 868 V HN 0.480 nan 8.190 nan 0.000 0.449 869 E N -0.063 120.072 120.200 -0.107 0.000 2.204 869 E HA -0.184 4.176 4.350 0.016 0.000 0.195 869 E C 2.143 178.727 176.600 -0.027 0.000 0.990 869 E CA 1.152 57.519 56.400 -0.055 0.000 0.821 869 E CB -0.137 29.541 29.700 -0.035 0.000 0.750 869 E HN 0.600 nan 8.360 nan 0.000 0.477 870 A N 0.791 123.593 122.820 -0.029 0.000 1.898 870 A HA -0.053 4.276 4.320 0.016 0.000 0.214 870 A C 2.047 179.651 177.584 0.033 0.000 1.183 870 A CA 0.622 52.657 52.037 -0.002 0.000 0.622 870 A CB -0.114 18.877 19.000 -0.014 0.000 0.824 870 A HN 0.056 nan 8.150 nan 0.000 0.444 871 R N -0.189 120.327 120.500 0.027 0.000 2.115 871 R HA 0.113 4.462 4.340 0.016 0.000 0.226 871 R C 1.937 178.340 176.300 0.173 0.000 1.100 871 R CA 0.719 56.884 56.100 0.108 0.000 0.980 871 R CB -0.951 29.384 30.300 0.058 0.000 0.875 871 R HN 0.553 nan 8.270 nan 0.000 0.445 872 L N 0.126 121.365 121.223 0.028 0.000 2.044 872 L HA -0.033 4.317 4.340 0.016 0.000 0.205 872 L C 2.382 179.307 176.870 0.092 0.000 1.075 872 L CA 1.294 56.111 54.840 -0.039 0.000 0.747 872 L CB -0.576 41.435 42.059 -0.080 0.000 0.903 872 L HN 0.101 nan 8.230 nan 0.000 0.435 873 A N -0.853 122.017 122.820 0.083 0.000 2.172 873 A HA -0.224 4.105 4.320 0.016 0.000 0.216 873 A C 1.809 179.478 177.584 0.142 0.000 1.154 873 A CA 1.443 53.533 52.037 0.090 0.000 0.701 873 A CB -0.490 18.537 19.000 0.045 0.000 0.789 873 A HN 0.366 nan 8.150 nan 0.000 0.465 874 D N -1.509 119.025 120.400 0.223 0.000 2.350 874 D HA 0.016 4.666 4.640 0.016 0.000 0.216 874 D C 0.105 176.470 176.300 0.108 0.000 0.968 874 D CA 0.633 54.729 54.000 0.160 0.000 0.894 874 D CB -0.036 40.863 40.800 0.166 0.000 0.909 874 D HN 0.313 nan 8.370 nan 0.000 0.520 875 F N -1.042 118.899 119.950 -0.014 0.000 2.732 875 F HA 0.426 4.963 4.527 0.015 0.000 0.394 875 F C 1.206 177.002 175.800 -0.008 0.000 1.194 875 F CA -1.145 56.849 58.000 -0.010 0.000 1.127 875 F CB 0.078 39.072 39.000 -0.010 0.000 1.470 875 F HN -0.497 nan 8.300 nan 0.000 0.505 876 R N 0.980 121.615 120.500 0.225 0.000 3.298 876 R HA 0.368 4.717 4.340 0.016 0.000 0.249 876 R C -1.262 175.092 176.300 0.090 0.000 1.563 876 R CA 0.339 56.508 56.100 0.114 0.000 1.378 876 R CB -1.597 28.752 30.300 0.082 0.000 1.250 876 R HN 0.496 nan 8.270 nan 0.000 0.580 877 I N 1.116 121.747 120.570 0.100 0.000 2.390 877 I HA 0.258 4.437 4.170 0.016 0.000 0.283 877 I C -0.056 176.077 176.117 0.027 0.000 1.016 877 I CA -0.739 60.581 61.300 0.033 0.000 1.151 877 I CB 1.357 39.334 38.000 -0.037 0.000 1.293 877 I HN -0.064 nan 8.210 nan 0.000 0.458 878 K N 6.112 126.523 120.400 0.019 0.000 2.240 878 K HA 0.826 5.155 4.320 0.016 0.000 0.271 878 K C -1.218 175.383 176.600 0.001 0.000 1.018 878 K CA -0.212 56.083 56.287 0.014 0.000 0.874 878 K CB 1.772 34.282 32.500 0.016 0.000 1.098 878 K HN 0.752 nan 8.250 nan 0.000 0.458 879 A N 3.917 126.732 122.820 -0.008 0.000 2.594 879 A HA 0.481 4.810 4.320 0.016 0.000 0.295 879 A C -1.764 175.805 177.584 -0.025 0.000 1.071 879 A CA -0.889 51.137 52.037 -0.017 0.000 0.685 879 A CB 1.275 20.261 19.000 -0.023 0.000 1.285 879 A HN 0.662 nan 8.150 nan 0.000 0.405 880 D N 0.480 120.855 120.400 -0.042 0.000 2.248 880 D HA 0.472 5.122 4.640 0.016 0.000 0.246 880 D C -0.557 175.706 176.300 -0.061 0.000 1.027 880 D CA -0.209 53.762 54.000 -0.048 0.000 0.853 880 D CB 2.043 42.805 40.800 -0.063 0.000 1.243 880 D HN 0.143 nan 8.370 nan 0.000 0.462 881 V N 2.780 122.685 119.914 -0.014 0.000 2.222 881 V HA 0.003 4.132 4.120 0.016 0.000 0.253 881 V C 1.750 177.845 176.094 0.001 0.000 1.210 881 V CA -0.248 62.081 62.300 0.049 0.000 1.079 881 V CB 0.433 32.356 31.823 0.167 0.000 1.265 881 V HN 0.523 nan 8.190 nan 0.000 0.494 882 V N 1.358 121.181 119.914 -0.151 0.000 2.720 882 V HA 0.011 4.141 4.120 0.016 0.000 0.256 882 V C 0.750 176.740 176.094 -0.174 0.000 1.082 882 V CA 1.646 63.811 62.300 -0.225 0.000 1.101 882 V CB -0.845 30.661 31.823 -0.528 0.000 0.693 882 V HN 0.872 nan 8.190 nan 0.000 0.479 883 N N -1.147 117.479 118.700 -0.125 0.000 3.356 883 N HA 0.413 5.163 4.740 0.016 0.000 0.246 883 N C -2.166 173.265 175.510 -0.131 0.000 1.480 883 N CA -0.121 52.783 53.050 -0.243 0.000 0.877 883 N CB 1.724 40.115 38.487 -0.159 0.000 1.431 883 N HN 0.316 nan 8.380 nan 0.000 0.500 884 Y N -1.287 118.956 120.300 -0.095 0.000 2.573 884 Y HA 0.528 5.088 4.550 0.016 0.000 0.328 884 Y C -1.738 174.036 175.900 -0.210 0.000 1.170 884 Y CA -1.085 56.857 58.100 -0.263 0.000 1.078 884 Y CB 0.805 38.910 38.460 -0.592 0.000 1.341 884 Y HN 0.375 nan 8.280 nan 0.000 0.459 885 S N 2.116 117.803 115.700 -0.021 0.000 2.647 885 S HA 0.701 5.180 4.470 0.016 0.000 0.300 885 S C -3.272 171.305 174.600 -0.040 0.000 1.129 885 S CA -1.424 56.770 58.200 -0.010 0.000 1.029 885 S CB 2.307 65.499 63.200 -0.014 0.000 1.007 885 S HN 0.606 nan 8.310 nan 0.000 0.484 886 P HA 0.550 nan 4.420 nan 0.000 0.290 886 P C 0.001 177.298 177.300 -0.005 0.000 1.276 886 P CA -0.051 63.027 63.100 -0.036 0.000 0.808 886 P CB 1.602 33.285 31.700 -0.028 0.000 0.966 887 G N 2.389 111.189 108.800 0.002 0.000 3.140 887 G HA2 0.497 4.466 3.960 0.016 0.000 0.271 887 G HA3 0.497 4.466 3.960 0.016 0.000 0.271 887 G C -2.189 172.713 174.900 0.005 0.000 1.370 887 G CA -1.473 43.645 45.100 0.029 0.000 1.014 887 G HN 0.110 nan 8.290 nan 0.000 0.541 888 P HA -0.020 nan 4.420 nan 0.000 0.216 888 P C 1.408 178.628 177.300 -0.133 0.000 1.150 888 P CA 0.969 64.046 63.100 -0.038 0.000 0.837 888 P CB 0.257 31.957 31.700 0.000 0.000 0.786 889 V N -2.468 117.293 119.914 -0.256 0.000 3.219 889 V HA 0.173 4.302 4.120 0.016 0.000 0.240 889 V C 1.082 177.073 176.094 -0.172 0.000 1.222 889 V CA 0.350 62.447 62.300 -0.337 0.000 1.181 889 V CB -0.242 31.104 31.823 -0.796 0.000 0.941 889 V HN -0.057 nan 8.190 nan 0.000 0.471 890 I N -2.605 117.913 120.570 -0.087 0.000 3.294 890 I HA 0.810 4.990 4.170 0.016 0.000 0.311 890 I C -0.555 175.563 176.117 0.002 0.000 1.111 890 I CA -0.494 60.806 61.300 0.001 0.000 0.976 890 I CB 2.019 40.060 38.000 0.068 0.000 1.260 890 I HN -0.187 nan 8.210 nan 0.000 0.474 891 T N 1.425 115.977 114.554 -0.003 0.000 2.881 891 T HA 0.433 4.793 4.350 0.016 0.000 0.291 891 T C -0.719 173.898 174.700 -0.138 0.000 0.990 891 T CA -0.482 61.546 62.100 -0.120 0.000 0.976 891 T CB 1.001 69.733 68.868 -0.226 0.000 0.970 891 T HN 0.701 nan 8.240 nan 0.000 0.438 892 R N 3.464 123.883 120.500 -0.135 0.000 2.196 892 R HA 0.411 4.760 4.340 0.016 0.000 0.340 892 R C -1.195 175.034 176.300 -0.118 0.000 1.043 892 R CA -0.419 55.655 56.100 -0.043 0.000 0.883 892 R CB 0.082 30.392 30.300 0.016 0.000 1.078 892 R HN 0.413 nan 8.270 nan 0.000 0.462 893 F N 2.962 122.965 119.950 0.089 0.000 2.411 893 F HA 0.212 4.748 4.527 0.015 0.000 0.350 893 F C 0.432 176.281 175.800 0.081 0.000 1.114 893 F CA -0.319 57.749 58.000 0.114 0.000 1.135 893 F CB 1.423 40.463 39.000 0.067 0.000 1.120 893 F HN 0.398 nan 8.300 nan 0.000 0.495 894 E N 4.996 125.321 120.200 0.209 0.000 2.081 894 E HA 0.354 4.713 4.350 0.016 0.000 0.281 894 E C -0.851 175.774 176.600 0.041 0.000 0.986 894 E CA -0.389 56.096 56.400 0.141 0.000 0.796 894 E CB 1.110 30.904 29.700 0.157 0.000 1.085 894 E HN 0.485 nan 8.360 nan 0.000 0.398 895 L N 3.057 124.316 121.223 0.061 0.000 2.325 895 L HA 0.320 4.670 4.340 0.016 0.000 0.279 895 L C 0.164 177.010 176.870 -0.040 0.000 1.054 895 L CA -0.881 53.956 54.840 -0.007 0.000 0.804 895 L CB 0.783 42.855 42.059 0.023 0.000 1.200 895 L HN 0.444 nan 8.230 nan 0.000 0.436 896 N N 3.694 122.322 118.700 -0.120 0.000 2.546 896 N HA 0.352 5.102 4.740 0.016 0.000 0.238 896 N C -0.932 174.579 175.510 0.002 0.000 0.984 896 N CA -0.381 52.629 53.050 -0.066 0.000 0.935 896 N CB 0.535 38.903 38.487 -0.198 0.000 1.122 896 N HN 0.478 nan 8.380 nan 0.000 0.510 897 L N 1.915 123.164 121.223 0.044 0.000 2.426 897 L HA 0.421 4.771 4.340 0.016 0.000 0.271 897 L C 1.148 178.037 176.870 0.031 0.000 1.169 897 L CA -0.849 54.008 54.840 0.028 0.000 0.836 897 L CB 0.615 42.693 42.059 0.031 0.000 1.112 897 L HN 0.535 nan 8.230 nan 0.000 0.465 898 A N 4.266 127.098 122.820 0.020 0.000 2.406 898 A HA 0.358 4.688 4.320 0.016 0.000 0.243 898 A C -2.185 175.414 177.584 0.024 0.000 1.082 898 A CA -1.085 50.964 52.037 0.021 0.000 0.786 898 A CB -0.581 18.429 19.000 0.016 0.000 1.029 898 A HN 0.516 nan 8.150 nan 0.000 0.495 899 P HA 0.181 nan 4.420 nan 0.000 0.258 899 P C 1.057 178.369 177.300 0.019 0.000 1.172 899 P CA 2.163 65.276 63.100 0.022 0.000 0.762 899 P CB 0.322 32.034 31.700 0.020 0.000 0.764 900 G N 2.024 110.835 108.800 0.018 0.000 2.336 900 G HA2 -0.269 3.700 3.960 0.016 0.000 0.233 900 G HA3 -0.269 3.700 3.960 0.016 0.000 0.233 900 G C 0.176 175.085 174.900 0.015 0.000 1.053 900 G CA -0.051 45.059 45.100 0.015 0.000 0.625 900 G HN 0.517 nan 8.290 nan 0.000 0.511 901 V N 4.096 124.020 119.914 0.016 0.000 2.442 901 V HA 0.183 4.312 4.120 0.016 0.000 0.272 901 V C 0.986 177.087 176.094 0.012 0.000 0.989 901 V CA 0.004 62.312 62.300 0.012 0.000 1.123 901 V CB 0.298 32.127 31.823 0.011 0.000 1.008 901 V HN 0.335 nan 8.190 nan 0.000 0.469 902 K N 3.870 124.276 120.400 0.009 0.000 2.414 902 K HA 0.193 4.522 4.320 0.016 0.000 0.272 902 K C 1.290 177.893 176.600 0.004 0.000 0.993 902 K CA 0.477 56.769 56.287 0.008 0.000 0.964 902 K CB 0.704 33.207 32.500 0.006 0.000 0.925 902 K HN 0.665 nan 8.250 nan 0.000 0.487 903 A N 1.869 124.693 122.820 0.007 0.000 2.168 903 A HA -0.013 4.317 4.320 0.016 0.000 0.215 903 A C 1.782 179.365 177.584 -0.003 0.000 1.152 903 A CA 1.456 53.496 52.037 0.006 0.000 0.716 903 A CB -0.252 18.757 19.000 0.015 0.000 0.794 903 A HN 0.709 nan 8.150 nan 0.000 0.465 904 A N -0.525 122.294 122.820 -0.003 0.000 2.169 904 A HA 0.077 4.406 4.320 0.016 0.000 0.212 904 A C 2.028 179.605 177.584 -0.012 0.000 1.153 904 A CA 0.892 52.926 52.037 -0.005 0.000 0.756 904 A CB -0.373 18.627 19.000 -0.001 0.000 0.813 904 A HN 0.509 nan 8.150 nan 0.000 0.471 905 R N -0.495 119.996 120.500 -0.016 0.000 2.090 905 R HA -0.060 4.289 4.340 0.016 0.000 0.228 905 R C 1.368 177.635 176.300 -0.055 0.000 1.110 905 R CA 1.486 57.571 56.100 -0.025 0.000 0.973 905 R CB -0.238 30.049 30.300 -0.021 0.000 0.869 905 R HN 0.466 nan 8.270 nan 0.000 0.440 906 I N 0.076 120.608 120.570 -0.064 0.000 2.333 906 I HA -0.116 4.063 4.170 0.016 0.000 0.246 906 I C 2.166 178.241 176.117 -0.070 0.000 1.106 906 I CA 1.036 62.278 61.300 -0.096 0.000 1.411 906 I CB -0.318 37.632 38.000 -0.084 0.000 1.082 906 I HN -0.017 nan 8.210 nan 0.000 0.420 907 S N 1.059 116.736 115.700 -0.039 0.000 2.374 907 S HA -0.198 4.281 4.470 0.016 0.000 0.227 907 S C 1.477 176.065 174.600 -0.021 0.000 1.037 907 S CA 1.646 59.832 58.200 -0.023 0.000 1.024 907 S CB -0.624 62.569 63.200 -0.011 0.000 0.861 907 S HN 0.475 nan 8.310 nan 0.000 0.456 908 N N 0.659 119.346 118.700 -0.021 0.000 2.421 908 N HA 0.200 4.949 4.740 0.016 0.000 0.201 908 N C 0.303 175.805 175.510 -0.014 0.000 1.198 908 N CA 0.169 53.213 53.050 -0.010 0.000 0.838 908 N CB 0.356 38.841 38.487 -0.003 0.000 1.011 908 N HN 0.205 nan 8.380 nan 0.000 0.463 909 L N -0.819 120.381 121.223 -0.038 0.000 3.519 909 L HA 0.246 4.595 4.340 0.016 0.000 0.323 909 L C 1.348 178.180 176.870 -0.063 0.000 1.289 909 L CA 0.093 54.901 54.840 -0.053 0.000 1.039 909 L CB -0.355 41.624 42.059 -0.132 0.000 1.438 909 L HN 0.049 nan 8.230 nan 0.000 0.619 910 S N -0.767 114.909 115.700 -0.040 0.000 2.368 910 S HA -0.176 4.303 4.470 0.016 0.000 0.225 910 S C 2.043 176.634 174.600 -0.015 0.000 1.030 910 S CA 0.981 59.162 58.200 -0.032 0.000 0.999 910 S CB -0.218 62.973 63.200 -0.015 0.000 0.844 910 S HN 0.408 nan 8.310 nan 0.000 0.459 911 R N 1.949 122.448 120.500 -0.000 0.000 2.070 911 R HA 0.015 4.364 4.340 0.016 0.000 0.233 911 R C 1.990 178.302 176.300 0.021 0.000 1.137 911 R CA 1.933 58.040 56.100 0.011 0.000 0.945 911 R CB -1.134 29.176 30.300 0.017 0.000 0.845 911 R HN 0.473 nan 8.270 nan 0.000 0.430 912 D N 0.156 120.578 120.400 0.036 0.000 2.092 912 D HA -0.179 4.470 4.640 0.016 0.000 0.193 912 D C 1.946 178.287 176.300 0.068 0.000 0.994 912 D CA 1.004 55.049 54.000 0.076 0.000 0.828 912 D CB -0.472 40.416 40.800 0.147 0.000 0.963 912 D HN 0.117 nan 8.370 nan 0.000 0.450 913 L N 0.559 121.791 121.223 0.016 0.000 2.013 913 L HA -0.270 4.080 4.340 0.016 0.000 0.212 913 L C 2.233 179.094 176.870 -0.015 0.000 1.073 913 L CA 1.741 56.564 54.840 -0.027 0.000 0.753 913 L CB -0.297 41.691 42.059 -0.118 0.000 0.890 913 L HN 0.013 nan 8.230 nan 0.000 0.432 914 A N -0.468 122.343 122.820 -0.015 0.000 2.024 914 A HA -0.284 4.045 4.320 0.016 0.000 0.220 914 A C 2.335 179.918 177.584 -0.003 0.000 1.164 914 A CA 1.970 54.000 52.037 -0.012 0.000 0.643 914 A CB -0.589 18.408 19.000 -0.004 0.000 0.806 914 A HN 0.520 nan 8.150 nan 0.000 0.451 915 R N -0.538 119.968 120.500 0.011 0.000 2.200 915 R HA 0.029 4.379 4.340 0.016 0.000 0.208 915 R C 1.726 178.038 176.300 0.020 0.000 1.033 915 R CA 1.042 57.152 56.100 0.016 0.000 1.000 915 R CB -0.111 30.204 30.300 0.025 0.000 0.906 915 R HN 0.444 nan 8.270 nan 0.000 0.462 916 S N 0.153 115.873 115.700 0.033 0.000 2.507 916 S HA 0.012 4.492 4.470 0.016 0.000 0.235 916 S C 0.094 174.698 174.600 0.005 0.000 0.988 916 S CA 0.623 58.847 58.200 0.040 0.000 0.944 916 S CB -0.006 63.246 63.200 0.087 0.000 0.762 916 S HN 0.070 nan 8.310 nan 0.000 0.526 917 L N -1.087 120.128 121.223 -0.012 0.000 2.183 917 L HA 0.510 4.860 4.340 0.016 0.000 0.253 917 L C 0.498 177.355 176.870 -0.023 0.000 1.048 917 L CA -0.400 54.421 54.840 -0.031 0.000 0.890 917 L CB 0.843 42.866 42.059 -0.059 0.000 1.476 917 L HN -0.182 nan 8.230 nan 0.000 0.455 918 S N -0.184 115.500 115.700 -0.027 0.000 2.835 918 S HA 0.427 4.907 4.470 0.016 0.000 0.194 918 S C -0.523 174.067 174.600 -0.017 0.000 1.364 918 S CA -0.368 57.821 58.200 -0.018 0.000 1.167 918 S CB -0.992 62.198 63.200 -0.017 0.000 1.223 918 S HN 0.684 nan 8.310 nan 0.000 0.512 919 T N -0.949 113.596 114.554 -0.015 0.000 2.863 919 T HA 0.459 4.818 4.350 0.016 0.000 0.285 919 T C 1.366 176.064 174.700 -0.003 0.000 1.009 919 T CA -0.810 61.283 62.100 -0.010 0.000 0.989 919 T CB 1.386 70.248 68.868 -0.011 0.000 1.004 919 T HN -0.017 nan 8.240 nan 0.000 0.455 920 V N 1.293 121.206 119.914 -0.000 0.000 2.278 920 V HA 0.091 4.220 4.120 0.016 0.000 0.251 920 V C 1.467 177.566 176.094 0.008 0.000 1.062 920 V CA 2.285 64.587 62.300 0.005 0.000 1.038 920 V CB -1.252 30.575 31.823 0.006 0.000 0.646 920 V HN 1.256 nan 8.190 nan 0.000 0.447 921 A N -1.861 120.965 122.820 0.010 0.000 2.599 921 A HA 0.730 5.059 4.320 0.016 0.000 0.290 921 A C -1.517 176.076 177.584 0.014 0.000 1.101 921 A CA -0.386 51.659 52.037 0.013 0.000 0.674 921 A CB 1.964 20.976 19.000 0.021 0.000 1.277 921 A HN 0.059 nan 8.150 nan 0.000 0.419 922 V N 0.673 120.595 119.914 0.013 0.000 2.686 922 V HA 0.611 4.741 4.120 0.016 0.000 0.306 922 V C -0.226 175.880 176.094 0.020 0.000 1.065 922 V CA -0.506 61.803 62.300 0.015 0.000 0.894 922 V CB 1.797 33.615 31.823 -0.008 0.000 1.004 922 V HN 0.960 nan 8.190 nan 0.000 0.424 923 R N 3.431 123.952 120.500 0.036 0.000 2.295 923 R HA 0.699 5.048 4.340 0.016 0.000 0.324 923 R C -1.405 174.916 176.300 0.035 0.000 0.968 923 R CA -0.381 55.739 56.100 0.034 0.000 0.837 923 R CB 1.676 32.002 30.300 0.043 0.000 1.133 923 R HN 0.524 nan 8.270 nan 0.000 0.450 924 V N 6.299 126.226 119.914 0.020 0.000 2.334 924 V HA 0.182 4.312 4.120 0.016 0.000 0.267 924 V C -0.236 175.872 176.094 0.023 0.000 1.040 924 V CA -0.634 61.678 62.300 0.019 0.000 0.866 924 V CB 1.322 33.145 31.823 -0.000 0.000 1.019 924 V HN 0.539 nan 8.190 nan 0.000 0.468 925 V N 4.823 124.757 119.914 0.035 0.000 2.368 925 V HA 0.166 4.296 4.120 0.016 0.000 0.266 925 V C 1.390 177.503 176.094 0.031 0.000 1.045 925 V CA -0.078 62.240 62.300 0.031 0.000 0.899 925 V CB 0.982 32.828 31.823 0.038 0.000 1.006 925 V HN 1.008 nan 8.190 nan 0.000 0.470 926 E N 4.304 124.517 120.200 0.021 0.000 2.110 926 E HA -0.136 4.224 4.350 0.016 0.000 0.193 926 E C 0.594 177.207 176.600 0.022 0.000 0.988 926 E CA 1.041 57.452 56.400 0.019 0.000 0.804 926 E CB 0.470 30.177 29.700 0.011 0.000 0.745 926 E HN 0.511 nan 8.360 nan 0.000 0.458 927 V N 1.655 121.579 119.914 0.017 0.000 2.409 927 V HA 0.332 4.462 4.120 0.016 0.000 0.290 927 V C -0.851 175.250 176.094 0.012 0.000 1.017 927 V CA -0.669 61.637 62.300 0.011 0.000 0.841 927 V CB 1.394 33.218 31.823 0.001 0.000 1.003 927 V HN 0.110 nan 8.190 nan 0.000 0.426 928 I N 10.216 130.794 120.570 0.014 0.000 2.301 928 I HA 0.340 4.519 4.170 0.016 0.000 0.292 928 I C -1.811 174.300 176.117 -0.011 0.000 1.046 928 I CA -1.855 59.453 61.300 0.014 0.000 1.282 928 I CB 1.680 39.703 38.000 0.037 0.000 1.409 928 I HN 0.502 nan 8.210 nan 0.000 0.484 929 P HA -0.066 nan 4.420 nan 0.000 0.256 929 P C 0.836 178.118 177.300 -0.030 0.000 1.173 929 P CA 0.898 63.987 63.100 -0.018 0.000 0.768 929 P CB 0.569 32.264 31.700 -0.010 0.000 0.758 930 G N 2.937 111.711 108.800 -0.044 0.000 2.241 930 G HA2 -0.215 3.755 3.960 0.016 0.000 0.244 930 G HA3 -0.215 3.755 3.960 0.016 0.000 0.244 930 G C 0.013 174.852 174.900 -0.102 0.000 0.998 930 G CA -0.009 45.056 45.100 -0.059 0.000 0.621 930 G HN 0.585 nan 8.290 nan 0.000 0.519 931 K N 0.440 120.762 120.400 -0.129 0.000 2.328 931 K HA 0.544 4.873 4.320 0.016 0.000 0.246 931 K C -1.865 174.558 176.600 -0.295 0.000 0.955 931 K CA -1.513 54.614 56.287 -0.266 0.000 0.817 931 K CB 2.871 35.215 32.500 -0.260 0.000 1.208 931 K HN -0.035 nan 8.250 nan 0.000 0.432 932 P HA -0.038 nan 4.420 nan 0.000 0.249 932 P C -0.600 176.615 177.300 -0.142 0.000 1.229 932 P CA 0.483 63.407 63.100 -0.294 0.000 0.788 932 P CB 0.246 31.777 31.700 -0.282 0.000 1.072 933 Y N -0.583 119.722 120.300 0.008 0.000 2.295 933 Y HA 0.315 4.875 4.550 0.015 0.000 0.331 933 Y C 1.194 177.104 175.900 0.017 0.000 1.311 933 Y CA -1.550 56.558 58.100 0.014 0.000 1.430 933 Y CB 0.678 39.150 38.460 0.019 0.000 1.339 933 Y HN -0.397 nan 8.280 nan 0.000 0.552 934 V N 0.884 120.923 119.914 0.208 0.000 2.532 934 V HA 0.483 4.612 4.120 0.016 0.000 0.295 934 V C 0.363 176.528 176.094 0.119 0.000 1.041 934 V CA -0.674 61.696 62.300 0.117 0.000 0.926 934 V CB 1.366 33.233 31.823 0.075 0.000 0.992 934 V HN 0.906 nan 8.190 nan 0.000 0.457 935 G N 3.885 112.742 108.800 0.095 0.000 2.348 935 G HA2 0.629 4.599 3.960 0.016 0.000 0.312 935 G HA3 0.629 4.599 3.960 0.016 0.000 0.312 935 G C -1.021 173.938 174.900 0.099 0.000 1.126 935 G CA -0.479 44.684 45.100 0.104 0.000 0.865 935 G HN 0.591 nan 8.290 nan 0.000 0.474 936 L N 2.248 123.558 121.223 0.144 0.000 2.388 936 L HA 0.311 4.661 4.340 0.016 0.000 0.267 936 L C -0.296 176.702 176.870 0.213 0.000 0.995 936 L CA -0.465 54.459 54.840 0.141 0.000 0.864 936 L CB 1.719 43.846 42.059 0.115 0.000 1.216 936 L HN 0.575 nan 8.230 nan 0.000 0.430 937 E N 4.692 124.978 120.200 0.144 0.000 2.167 937 E HA 0.482 4.842 4.350 0.016 0.000 0.284 937 E C -0.957 175.729 176.600 0.143 0.000 1.016 937 E CA -0.248 56.241 56.400 0.149 0.000 0.817 937 E CB 1.621 31.383 29.700 0.102 0.000 1.080 937 E HN 0.419 nan 8.360 nan 0.000 0.397 938 L N 5.191 126.532 121.223 0.197 0.000 2.342 938 L HA 0.517 4.867 4.340 0.016 0.000 0.271 938 L C -2.178 174.752 176.870 0.101 0.000 1.008 938 L CA -2.480 52.447 54.840 0.146 0.000 0.818 938 L CB 1.812 43.990 42.059 0.199 0.000 1.296 938 L HN 0.363 nan 8.230 nan 0.000 0.427 939 P HA 0.107 nan 4.420 nan 0.000 0.279 939 P C -1.239 176.067 177.300 0.010 0.000 1.239 939 P CA -0.341 62.769 63.100 0.017 0.000 0.789 939 P CB 0.698 32.400 31.700 0.003 0.000 0.933 940 N N 1.837 120.528 118.700 -0.015 0.000 2.525 940 N HA 0.062 4.811 4.740 0.016 0.000 0.271 940 N C 1.302 176.798 175.510 -0.022 0.000 1.194 940 N CA -0.520 52.519 53.050 -0.019 0.000 0.964 940 N CB 0.884 39.350 38.487 -0.035 0.000 1.126 940 N HN 0.333 nan 8.380 nan 0.000 0.452 941 K N 1.065 121.454 120.400 -0.018 0.000 2.097 941 K HA -0.121 4.208 4.320 0.016 0.000 0.206 941 K C 0.541 177.129 176.600 -0.021 0.000 1.049 941 K CA 1.060 57.336 56.287 -0.018 0.000 0.933 941 K CB 0.090 32.582 32.500 -0.013 0.000 0.717 941 K HN 0.423 nan 8.250 nan 0.000 0.442 942 K N 1.847 122.233 120.400 -0.022 0.000 2.404 942 K HA 0.142 4.472 4.320 0.016 0.000 0.257 942 K C -1.014 175.564 176.600 -0.037 0.000 1.026 942 K CA -0.497 55.776 56.287 -0.024 0.000 0.951 942 K CB 1.020 33.511 32.500 -0.014 0.000 1.203 942 K HN -0.086 nan 8.250 nan 0.000 0.446 943 R N 2.956 123.425 120.500 -0.051 0.000 2.490 943 R HA 0.122 4.472 4.340 0.016 0.000 0.278 943 R C -0.651 175.607 176.300 -0.071 0.000 1.069 943 R CA -0.104 55.951 56.100 -0.075 0.000 1.080 943 R CB 0.856 31.101 30.300 -0.090 0.000 1.030 943 R HN 0.600 nan 8.270 nan 0.000 0.491 944 Q N 1.285 121.037 119.800 -0.080 0.000 2.274 944 Q HA 0.251 4.601 4.340 0.016 0.000 0.260 944 Q C -0.783 175.159 176.000 -0.098 0.000 0.974 944 Q CA -0.744 55.027 55.803 -0.055 0.000 0.876 944 Q CB 2.427 31.155 28.738 -0.018 0.000 1.297 944 Q HN 0.577 nan 8.270 nan 0.000 0.446 945 T N 1.284 115.766 114.554 -0.121 0.000 2.897 945 T HA 0.247 4.606 4.350 0.016 0.000 0.294 945 T C -0.287 174.263 174.700 -0.250 0.000 1.004 945 T CA -0.392 61.525 62.100 -0.305 0.000 1.106 945 T CB 0.636 69.135 68.868 -0.615 0.000 0.949 945 T HN 0.238 nan 8.240 nan 0.000 0.520 946 V N 4.412 124.194 119.914 -0.220 0.000 2.328 946 V HA 0.293 4.422 4.120 0.016 0.000 0.278 946 V C -0.825 175.213 176.094 -0.094 0.000 1.021 946 V CA -0.911 61.357 62.300 -0.053 0.000 0.838 946 V CB -0.097 31.748 31.823 0.037 0.000 0.999 946 V HN 0.751 nan 8.190 nan 0.000 0.447 947 Y N 3.629 123.973 120.300 0.074 0.000 2.316 947 Y HA 0.264 4.822 4.550 0.013 0.000 0.331 947 Y C 1.192 177.099 175.900 0.011 0.000 1.083 947 Y CA -0.422 57.724 58.100 0.077 0.000 1.206 947 Y CB 0.955 39.447 38.460 0.053 0.000 1.195 947 Y HN 0.479 nan 8.280 nan 0.000 0.497 948 L N 2.895 124.185 121.223 0.111 0.000 1.976 948 L HA -0.355 3.994 4.340 0.016 0.000 0.223 948 L C 2.630 179.452 176.870 -0.080 0.000 1.081 948 L CA 2.137 56.959 54.840 -0.030 0.000 0.784 948 L CB -0.250 41.756 42.059 -0.088 0.000 0.896 948 L HN 0.840 nan 8.230 nan 0.000 0.438 949 R N -0.088 120.375 120.500 -0.061 0.000 2.153 949 R HA -0.305 4.045 4.340 0.016 0.000 0.252 949 R C 2.162 178.418 176.300 -0.073 0.000 1.158 949 R CA 2.389 58.421 56.100 -0.113 0.000 0.975 949 R CB -0.343 29.917 30.300 -0.066 0.000 0.871 949 R HN 0.552 nan 8.270 nan 0.000 0.450 950 E N -0.583 119.623 120.200 0.009 0.000 2.110 950 E HA -0.149 4.210 4.350 0.016 0.000 0.193 950 E C 1.700 178.295 176.600 -0.008 0.000 0.988 950 E CA 1.530 57.940 56.400 0.016 0.000 0.804 950 E CB 0.181 29.928 29.700 0.078 0.000 0.745 950 E HN 0.297 nan 8.360 nan 0.000 0.458 951 V N 1.002 120.897 119.914 -0.032 0.000 2.488 951 V HA -0.167 3.962 4.120 0.016 0.000 0.246 951 V C 2.347 178.375 176.094 -0.110 0.000 1.046 951 V CA 0.959 63.232 62.300 -0.046 0.000 1.053 951 V CB -0.319 31.474 31.823 -0.050 0.000 0.679 951 V HN 0.325 nan 8.190 nan 0.000 0.458 952 L N 0.146 121.210 121.223 -0.265 0.000 2.083 952 L HA -0.168 4.181 4.340 0.016 0.000 0.209 952 L C 2.231 179.039 176.870 -0.104 0.000 1.083 952 L CA 1.729 56.290 54.840 -0.466 0.000 0.752 952 L CB -0.477 41.209 42.059 -0.621 0.000 0.899 952 L HN 0.399 nan 8.230 nan 0.000 0.433 953 D N -0.013 120.352 120.400 -0.058 0.000 2.349 953 D HA -0.069 4.580 4.640 0.016 0.000 0.224 953 D C 0.493 176.827 176.300 0.056 0.000 1.029 953 D CA -0.017 53.993 54.000 0.017 0.000 0.879 953 D CB 0.060 40.855 40.800 -0.010 0.000 0.906 953 D HN 0.285 nan 8.370 nan 0.000 0.528 954 N N -1.148 117.598 118.700 0.076 0.000 2.463 954 N HA 0.288 5.038 4.740 0.016 0.000 0.270 954 N C 1.000 176.574 175.510 0.107 0.000 1.205 954 N CA 0.036 53.133 53.050 0.079 0.000 0.974 954 N CB 1.327 39.856 38.487 0.069 0.000 1.197 954 N HN -0.129 nan 8.380 nan 0.000 0.504 955 A N 1.707 124.569 122.820 0.070 0.000 1.877 955 A HA -0.146 4.183 4.320 0.016 0.000 0.216 955 A C 1.772 179.389 177.584 0.054 0.000 1.186 955 A CA 1.385 53.455 52.037 0.055 0.000 0.620 955 A CB -0.582 18.437 19.000 0.032 0.000 0.822 955 A HN 0.813 nan 8.150 nan 0.000 0.443 956 K N -1.950 118.486 120.400 0.059 0.000 2.189 956 K HA -0.220 4.110 4.320 0.016 0.000 0.207 956 K C 1.642 178.284 176.600 0.070 0.000 1.046 956 K CA 1.927 58.245 56.287 0.051 0.000 0.928 956 K CB -0.298 32.234 32.500 0.053 0.000 0.720 956 K HN 0.607 nan 8.250 nan 0.000 0.458 957 F N 0.559 120.506 119.950 -0.005 0.000 2.437 957 F HA 0.090 4.628 4.527 0.019 0.000 0.288 957 F C 2.314 178.123 175.800 0.014 0.000 1.085 957 F CA 0.354 58.354 58.000 -0.000 0.000 1.430 957 F CB 0.120 39.118 39.000 -0.004 0.000 1.120 957 F HN -0.260 nan 8.300 nan 0.000 0.556 958 R N 0.656 121.198 120.500 0.071 0.000 2.070 958 R HA -0.151 4.198 4.340 0.016 0.000 0.233 958 R C 1.788 178.041 176.300 -0.078 0.000 1.137 958 R CA 2.228 58.339 56.100 0.018 0.000 0.945 958 R CB -0.443 29.911 30.300 0.090 0.000 0.845 958 R HN 0.226 nan 8.270 nan 0.000 0.430 959 D N 0.204 120.571 120.400 -0.055 0.000 2.144 959 D HA -0.127 4.522 4.640 0.016 0.000 0.200 959 D C 0.326 176.571 176.300 -0.092 0.000 0.978 959 D CA 0.567 54.534 54.000 -0.055 0.000 0.833 959 D CB -0.582 40.202 40.800 -0.027 0.000 0.961 959 D HN 0.114 nan 8.370 nan 0.000 0.470 960 N N 1.835 120.451 118.700 -0.140 0.000 2.365 960 N HA -0.057 4.692 4.740 0.016 0.000 0.265 960 N C -1.531 173.883 175.510 -0.160 0.000 1.288 960 N CA -0.603 52.356 53.050 -0.151 0.000 0.869 960 N CB 1.498 39.868 38.487 -0.195 0.000 1.071 960 N HN 0.018 nan 8.380 nan 0.000 0.480 961 P HA -0.047 nan 4.420 nan 0.000 0.227 961 P C 0.381 177.638 177.300 -0.073 0.000 1.161 961 P CA 0.260 63.319 63.100 -0.070 0.000 0.788 961 P CB 0.277 31.957 31.700 -0.033 0.000 0.822 962 S N 2.137 117.776 115.700 -0.103 0.000 2.533 962 S HA 0.150 4.629 4.470 0.016 0.000 0.282 962 S C -1.222 173.290 174.600 -0.147 0.000 1.304 962 S CA -1.241 56.885 58.200 -0.125 0.000 1.063 962 S CB 0.294 63.397 63.200 -0.162 0.000 0.881 962 S HN 0.033 nan 8.310 nan 0.000 0.493 963 P HA 0.054 nan 4.420 nan 0.000 0.241 963 P C 0.417 177.640 177.300 -0.128 0.000 1.191 963 P CA 0.606 63.657 63.100 -0.081 0.000 0.771 963 P CB 0.049 31.754 31.700 0.009 0.000 0.929 964 L N -0.498 120.574 121.223 -0.251 0.000 2.928 964 L HA 0.211 4.561 4.340 0.016 0.000 0.246 964 L C 0.371 177.165 176.870 -0.127 0.000 1.239 964 L CA -0.117 54.583 54.840 -0.233 0.000 1.035 964 L CB -0.383 41.402 42.059 -0.457 0.000 1.360 964 L HN -0.204 nan 8.230 nan 0.000 0.529 965 T N 1.915 116.422 114.554 -0.079 0.000 2.916 965 T HA 0.302 4.662 4.350 0.016 0.000 0.303 965 T C 0.108 174.910 174.700 0.170 0.000 1.025 965 T CA -0.015 62.075 62.100 -0.018 0.000 1.142 965 T CB 1.506 70.274 68.868 -0.166 0.000 0.947 965 T HN 0.151 nan 8.240 nan 0.000 0.544 966 V N 1.014 121.020 119.914 0.154 0.000 2.876 966 V HA 0.717 4.847 4.120 0.016 0.000 0.312 966 V C -0.325 175.842 176.094 0.122 0.000 1.085 966 V CA -1.106 61.291 62.300 0.162 0.000 0.945 966 V CB 1.788 33.658 31.823 0.077 0.000 1.017 966 V HN 0.550 nan 8.190 nan 0.000 0.428 967 V N 4.695 124.643 119.914 0.056 0.000 2.461 967 V HA 0.255 4.385 4.120 0.016 0.000 0.275 967 V C 0.818 176.901 176.094 -0.017 0.000 1.047 967 V CA 0.064 62.358 62.300 -0.011 0.000 0.955 967 V CB 1.122 32.870 31.823 -0.125 0.000 0.988 967 V HN 0.864 nan 8.190 nan 0.000 0.471 968 L N 3.981 125.178 121.223 -0.043 0.000 2.262 968 L HA 0.551 4.900 4.340 0.016 0.000 0.197 968 L C 1.250 178.108 176.870 -0.019 0.000 1.073 968 L CA 2.055 56.862 54.840 -0.055 0.000 0.800 968 L CB -0.595 41.360 42.059 -0.173 0.000 0.987 968 L HN 0.908 nan 8.230 nan 0.000 0.470 969 G N -1.589 107.193 108.800 -0.030 0.000 2.579 969 G HA2 0.110 4.080 3.960 0.016 0.000 0.080 969 G HA3 0.110 4.080 3.960 0.016 0.000 0.080 969 G C -1.039 173.861 174.900 -0.001 0.000 1.040 969 G CA -0.609 44.495 45.100 0.007 0.000 1.118 969 G HN -0.065 nan 8.290 nan 0.000 0.485 970 K N 0.996 121.401 120.400 0.008 0.000 2.469 970 K HA 0.496 4.826 4.320 0.016 0.000 0.254 970 K C -1.351 175.213 176.600 -0.061 0.000 0.939 970 K CA -0.602 55.692 56.287 0.011 0.000 0.812 970 K CB 2.463 35.012 32.500 0.081 0.000 1.301 970 K HN 0.747 nan 8.250 nan 0.000 0.433 971 D N 0.518 120.881 120.400 -0.062 0.000 2.383 971 D HA 0.053 4.702 4.640 0.016 0.000 0.248 971 D C 1.430 177.690 176.300 -0.066 0.000 1.170 971 D CA -0.578 53.350 54.000 -0.120 0.000 0.977 971 D CB 0.441 41.199 40.800 -0.071 0.000 1.120 971 D HN 0.585 nan 8.370 nan 0.000 0.481 972 I N -3.338 117.183 120.570 -0.082 0.000 2.479 972 I HA -0.205 3.974 4.170 0.016 0.000 0.258 972 I C 1.538 177.717 176.117 0.104 0.000 1.165 972 I CA 1.639 62.996 61.300 0.095 0.000 1.422 972 I CB -0.521 37.516 38.000 0.062 0.000 1.087 972 I HN 0.348 nan 8.210 nan 0.000 0.441 973 A N 0.726 123.575 122.820 0.049 0.000 2.345 973 A HA 0.530 4.859 4.320 0.016 0.000 0.225 973 A C 1.786 179.396 177.584 0.044 0.000 1.243 973 A CA 0.460 52.521 52.037 0.039 0.000 0.875 973 A CB -0.381 18.631 19.000 0.019 0.000 0.929 973 A HN 0.834 nan 8.150 nan 0.000 0.502 974 G N -0.937 107.901 108.800 0.064 0.000 2.175 974 G HA2 -0.186 3.784 3.960 0.016 0.000 0.244 974 G HA3 -0.186 3.784 3.960 0.016 0.000 0.244 974 G C -0.094 174.831 174.900 0.042 0.000 0.982 974 G CA 0.167 45.303 45.100 0.061 0.000 0.641 974 G HN 0.481 nan 8.290 nan 0.000 0.527 975 E N 2.048 122.263 120.200 0.026 0.000 2.259 975 E HA 0.294 4.653 4.350 0.016 0.000 0.281 975 E C -2.150 174.454 176.600 0.007 0.000 1.027 975 E CA -1.688 54.721 56.400 0.014 0.000 0.838 975 E CB 1.554 31.256 29.700 0.005 0.000 1.066 975 E HN 0.217 nan 8.360 nan 0.000 0.401 976 P HA -0.037 nan 4.420 nan 0.000 0.264 976 P C -0.471 176.822 177.300 -0.011 0.000 1.193 976 P CA 0.161 63.266 63.100 0.008 0.000 0.763 976 P CB 0.588 32.301 31.700 0.021 0.000 0.810 977 V N 5.237 125.132 119.914 -0.032 0.000 2.409 977 V HA 0.278 4.407 4.120 0.016 0.000 0.291 977 V C 0.599 176.653 176.094 -0.066 0.000 1.020 977 V CA -0.568 61.691 62.300 -0.070 0.000 0.848 977 V CB 1.868 33.616 31.823 -0.125 0.000 0.990 977 V HN 0.316 nan 8.190 nan 0.000 0.430 978 V N 3.182 123.067 119.914 -0.048 0.000 3.019 978 V HA 1.008 5.137 4.120 0.016 0.000 0.317 978 V C 0.161 176.211 176.094 -0.073 0.000 1.094 978 V CA -0.519 61.776 62.300 -0.009 0.000 1.000 978 V CB 1.995 33.864 31.823 0.077 0.000 1.060 978 V HN 1.036 nan 8.190 nan 0.000 0.443 979 A N 1.079 123.867 122.820 -0.054 0.000 2.594 979 A HA 0.712 5.041 4.320 0.016 0.000 0.295 979 A C -1.774 175.793 177.584 -0.029 0.000 1.071 979 A CA -0.457 51.535 52.037 -0.076 0.000 0.685 979 A CB 1.872 20.771 19.000 -0.168 0.000 1.285 979 A HN 0.723 nan 8.150 nan 0.000 0.405 980 D N 1.750 122.132 120.400 -0.029 0.000 2.427 980 D HA 0.268 4.918 4.640 0.016 0.000 0.226 980 D C 0.981 177.235 176.300 -0.077 0.000 1.076 980 D CA -0.395 53.566 54.000 -0.065 0.000 0.849 980 D CB 1.075 41.828 40.800 -0.078 0.000 1.052 980 D HN 0.440 nan 8.370 nan 0.000 0.515 981 L N 3.530 124.686 121.223 -0.112 0.000 2.081 981 L HA -0.231 4.119 4.340 0.016 0.000 0.212 981 L C 1.883 178.601 176.870 -0.254 0.000 1.080 981 L CA 1.672 56.430 54.840 -0.137 0.000 0.754 981 L CB -0.045 41.916 42.059 -0.164 0.000 0.893 981 L HN 0.520 nan 8.230 nan 0.000 0.433 982 A N -0.634 121.950 122.820 -0.394 0.000 2.019 982 A HA -0.172 4.158 4.320 0.016 0.000 0.219 982 A C 2.010 179.560 177.584 -0.056 0.000 1.164 982 A CA 1.327 53.133 52.037 -0.385 0.000 0.644 982 A CB -0.205 18.561 19.000 -0.391 0.000 0.805 982 A HN 0.392 nan 8.150 nan 0.000 0.449 983 K N -0.990 119.375 120.400 -0.057 0.000 2.374 983 K HA 0.265 4.595 4.320 0.016 0.000 0.196 983 K C 1.419 178.023 176.600 0.007 0.000 1.023 983 K CA 0.080 56.364 56.287 -0.005 0.000 1.103 983 K CB 0.032 32.531 32.500 -0.002 0.000 0.848 983 K HN 0.542 nan 8.250 nan 0.000 0.528 984 M N 1.372 120.974 119.600 0.003 0.000 2.123 984 M HA -0.077 4.413 4.480 0.016 0.000 0.263 984 M C -0.743 175.545 176.300 -0.020 0.000 1.069 984 M CA 1.792 57.101 55.300 0.014 0.000 1.133 984 M CB -0.871 31.753 32.600 0.040 0.000 1.356 984 M HN -0.119 nan 8.290 nan 0.000 0.415 985 P HA 0.120 nan 4.420 nan 0.000 0.275 985 P C -0.562 176.543 177.300 -0.324 0.000 1.310 985 P CA 0.762 63.772 63.100 -0.149 0.000 0.904 985 P CB 0.418 31.964 31.700 -0.257 0.000 1.381 986 H N 0.251 119.379 119.070 0.097 0.000 2.851 986 H HA 0.522 5.087 4.556 0.015 0.000 0.372 986 H C -0.352 174.992 175.328 0.026 0.000 1.158 986 H CA -0.767 55.318 56.048 0.063 0.000 1.159 986 H CB 2.539 32.311 29.762 0.016 0.000 1.757 986 H HN -0.067 nan 8.280 nan 0.000 0.546 987 L N 0.960 122.266 121.223 0.138 0.000 2.350 987 L HA 0.672 5.021 4.340 0.016 0.000 0.260 987 L C -1.798 175.081 176.870 0.015 0.000 1.015 987 L CA -0.802 54.078 54.840 0.066 0.000 0.821 987 L CB 2.616 44.727 42.059 0.085 0.000 1.370 987 L HN 0.548 nan 8.230 nan 0.000 0.416 988 L N 3.122 124.344 121.223 -0.001 0.000 2.376 988 L HA 0.743 5.093 4.340 0.016 0.000 0.275 988 L C -1.532 175.363 176.870 0.042 0.000 0.987 988 L CA -0.709 54.115 54.840 -0.027 0.000 0.828 988 L CB 1.959 43.986 42.059 -0.052 0.000 1.249 988 L HN 0.614 nan 8.230 nan 0.000 0.409 989 V N 4.229 124.193 119.914 0.084 0.000 2.459 989 V HA 0.876 5.005 4.120 0.016 0.000 0.295 989 V C 0.012 176.225 176.094 0.198 0.000 1.029 989 V CA -0.330 62.079 62.300 0.182 0.000 0.874 989 V CB 1.369 33.331 31.823 0.231 0.000 0.985 989 V HN 0.870 nan 8.190 nan 0.000 0.438 990 A N 3.240 126.206 122.820 0.244 0.000 2.572 990 A HA 1.055 5.385 4.320 0.016 0.000 0.295 990 A C -0.155 177.587 177.584 0.262 0.000 1.072 990 A CA 0.020 52.185 52.037 0.214 0.000 0.691 990 A CB 2.193 21.288 19.000 0.158 0.000 1.291 990 A HN 1.518 nan 8.150 nan 0.000 0.404 991 G N -0.761 108.154 108.800 0.192 0.000 2.341 991 G HA2 0.566 4.535 3.960 0.016 0.000 0.299 991 G HA3 0.566 4.535 3.960 0.016 0.000 0.299 991 G C -0.384 174.580 174.900 0.107 0.000 1.274 991 G CA 0.353 45.564 45.100 0.185 0.000 0.853 991 G HN 0.948 nan 8.290 nan 0.000 0.493 992 T N -0.312 114.294 114.554 0.088 0.000 2.914 992 T HA 0.455 4.815 4.350 0.016 0.000 0.313 992 T C 1.886 176.604 174.700 0.032 0.000 1.137 992 T CA 0.610 62.742 62.100 0.054 0.000 0.946 992 T CB 0.491 69.388 68.868 0.048 0.000 1.558 992 T HN 0.477 nan 8.240 nan 0.000 0.565 993 T N 1.225 115.791 114.554 0.020 0.000 2.564 993 T HA 0.033 4.392 4.350 0.016 0.000 0.259 993 T C 1.713 176.408 174.700 -0.008 0.000 1.087 993 T CA 1.426 63.530 62.100 0.005 0.000 1.184 993 T CB -0.826 68.046 68.868 0.007 0.000 0.864 993 T HN 0.706 nan 8.240 nan 0.000 0.403 994 G N 1.089 109.889 108.800 -0.000 0.000 3.678 994 G HA2 0.254 4.224 3.960 0.016 0.000 0.287 994 G HA3 0.254 4.224 3.960 0.016 0.000 0.287 994 G C 1.176 176.075 174.900 -0.003 0.000 1.280 994 G CA 0.320 45.416 45.100 -0.006 0.000 1.118 994 G HN 0.535 nan 8.290 nan 0.000 0.563 995 S N -1.407 114.290 115.700 -0.004 0.000 2.528 995 S HA 0.372 4.851 4.470 0.016 0.000 0.219 995 S C 1.705 176.296 174.600 -0.014 0.000 0.985 995 S CA 0.775 58.998 58.200 0.039 0.000 0.914 995 S CB 0.319 63.584 63.200 0.109 0.000 0.776 995 S HN 1.225 nan 8.310 nan 0.000 0.526 996 G N 0.169 108.835 108.800 -0.224 0.000 2.273 996 G HA2 -0.026 3.943 3.960 0.016 0.000 0.162 996 G HA3 -0.026 3.943 3.960 0.016 0.000 0.162 996 G C 0.955 175.187 174.900 -1.114 0.000 1.006 996 G CA 0.034 44.848 45.100 -0.478 0.000 0.704 996 G HN 0.807 nan 8.290 nan 0.000 0.487 997 A N 1.380 123.576 122.820 -1.040 0.000 1.883 997 A HA 0.094 4.423 4.320 0.016 0.000 0.217 997 A C 2.790 180.132 177.584 -0.403 0.000 1.186 997 A CA 3.247 54.783 52.037 -0.835 0.000 0.624 997 A CB -0.939 17.892 19.000 -0.281 0.000 0.822 997 A HN 1.599 nan 8.150 nan 0.000 0.444 998 S N -0.223 115.327 115.700 -0.251 0.000 2.348 998 S HA -0.149 4.330 4.470 0.016 0.000 0.221 998 S C 1.759 176.283 174.600 -0.128 0.000 1.033 998 S CA 1.548 59.670 58.200 -0.131 0.000 1.010 998 S CB -1.244 61.907 63.200 -0.080 0.000 0.891 998 S HN 0.316 nan 8.310 nan 0.000 0.442 999 V N 2.749 122.571 119.914 -0.152 0.000 2.392 999 V HA -0.108 4.022 4.120 0.016 0.000 0.249 999 V C 2.920 178.955 176.094 -0.098 0.000 1.059 999 V CA 1.884 64.112 62.300 -0.121 0.000 1.051 999 V CB -1.868 29.906 31.823 -0.081 0.000 0.658 999 V HN 0.673 nan 8.190 nan 0.000 0.455 1000 G N -0.310 108.397 108.800 -0.154 0.000 2.418 1000 G HA2 -0.204 3.766 3.960 0.016 0.000 0.217 1000 G HA3 -0.204 3.766 3.960 0.016 0.000 0.217 1000 G C 1.662 176.589 174.900 0.045 0.000 1.158 1000 G CA 1.205 46.316 45.100 0.018 0.000 0.771 1000 G HN 0.396 nan 8.290 nan 0.000 0.545 1001 V N 1.400 121.308 119.914 -0.010 0.000 2.358 1001 V HA -0.166 3.963 4.120 0.016 0.000 0.246 1001 V C 2.654 178.734 176.094 -0.024 0.000 1.047 1001 V CA 1.776 64.074 62.300 -0.004 0.000 1.035 1001 V CB -0.438 31.370 31.823 -0.024 0.000 0.658 1001 V HN 0.305 nan 8.190 nan 0.000 0.452 1002 N N 0.691 119.384 118.700 -0.012 0.000 2.166 1002 N HA -0.127 4.622 4.740 0.016 0.000 0.186 1002 N C 1.881 177.399 175.510 0.012 0.000 1.019 1002 N CA 1.635 54.704 53.050 0.032 0.000 0.856 1002 N CB -0.490 38.008 38.487 0.017 0.000 0.993 1002 N HN 0.493 nan 8.380 nan 0.000 0.426 1003 A N 0.936 123.749 122.820 -0.012 0.000 1.933 1003 A HA -0.091 4.239 4.320 0.016 0.000 0.218 1003 A C 2.322 179.907 177.584 0.001 0.000 1.175 1003 A CA 1.178 53.205 52.037 -0.016 0.000 0.628 1003 A CB -0.420 18.576 19.000 -0.007 0.000 0.814 1003 A HN 0.195 nan 8.150 nan 0.000 0.444 1004 M N -0.779 118.829 119.600 0.014 0.000 2.099 1004 M HA -0.076 4.413 4.480 0.016 0.000 0.262 1004 M C 2.109 178.421 176.300 0.020 0.000 1.067 1004 M CA 1.598 56.915 55.300 0.027 0.000 1.124 1004 M CB -0.463 32.158 32.600 0.035 0.000 1.353 1004 M HN 0.408 nan 8.290 nan 0.000 0.410 1005 I N -0.114 120.420 120.570 -0.059 0.000 2.179 1005 I HA -0.298 3.882 4.170 0.016 0.000 0.242 1005 I C 2.211 178.317 176.117 -0.018 0.000 1.088 1005 I CA 1.017 62.219 61.300 -0.163 0.000 1.357 1005 I CB -0.407 37.289 38.000 -0.507 0.000 1.051 1005 I HN 0.219 nan 8.210 nan 0.000 0.409 1006 L N 0.292 121.554 121.223 0.065 0.000 2.131 1006 L HA -0.193 4.157 4.340 0.016 0.000 0.210 1006 L C 2.675 179.702 176.870 0.261 0.000 1.092 1006 L CA 1.586 56.538 54.840 0.188 0.000 0.759 1006 L CB -0.668 41.497 42.059 0.176 0.000 0.903 1006 L HN 0.115 nan 8.230 nan 0.000 0.435 1007 S N -0.895 114.880 115.700 0.126 0.000 2.359 1007 S HA -0.255 4.224 4.470 0.016 0.000 0.223 1007 S C 1.944 176.752 174.600 0.346 0.000 1.039 1007 S CA 1.884 60.151 58.200 0.113 0.000 1.042 1007 S CB -0.274 62.993 63.200 0.111 0.000 0.915 1007 S HN 0.390 nan 8.310 nan 0.000 0.439 1008 M N 0.625 120.383 119.600 0.264 0.000 2.159 1008 M HA -0.030 4.460 4.480 0.016 0.000 0.263 1008 M C 1.783 178.216 176.300 0.222 0.000 1.063 1008 M CA 1.181 56.632 55.300 0.252 0.000 1.110 1008 M CB -0.536 32.205 32.600 0.235 0.000 1.374 1008 M HN 0.237 nan 8.290 nan 0.000 0.411 1009 L N -1.453 119.863 121.223 0.154 0.000 2.456 1009 L HA -0.162 4.188 4.340 0.016 0.000 0.224 1009 L C 1.020 178.086 176.870 0.326 0.000 1.148 1009 L CA 0.778 55.662 54.840 0.073 0.000 0.825 1009 L CB -0.380 41.672 42.059 -0.012 0.000 0.937 1009 L HN 0.286 nan 8.230 nan 0.000 0.450 1010 Y N -0.926 119.567 120.300 0.323 0.000 2.625 1010 Y HA 0.072 4.630 4.550 0.013 0.000 0.285 1010 Y C 1.762 177.897 175.900 0.391 0.000 1.168 1010 Y CA 0.116 58.417 58.100 0.334 0.000 1.250 1010 Y CB 0.343 38.926 38.460 0.205 0.000 1.130 1010 Y HN 0.026 nan 8.280 nan 0.000 0.526 1011 K N -1.347 119.321 120.400 0.447 0.000 2.614 1011 K HA 0.364 4.693 4.320 0.016 0.000 0.183 1011 K C -0.266 176.482 176.600 0.246 0.000 1.792 1011 K CA 0.322 56.800 56.287 0.318 0.000 1.211 1011 K CB 0.307 32.949 32.500 0.238 0.000 1.735 1011 K HN -0.020 nan 8.250 nan 0.000 0.587 1012 A N 1.950 124.926 122.820 0.261 0.000 2.337 1012 A HA 0.598 4.928 4.320 0.016 0.000 0.329 1012 A C -0.715 177.047 177.584 0.296 0.000 1.146 1012 A CA -0.628 51.538 52.037 0.215 0.000 0.800 1012 A CB 1.288 20.368 19.000 0.133 0.000 1.220 1012 A HN 0.158 nan 8.150 nan 0.000 0.472 1013 Q N 1.235 121.164 119.800 0.215 0.000 2.221 1013 Q HA 0.275 4.624 4.340 0.016 0.000 0.242 1013 Q C -1.780 174.162 176.000 -0.097 0.000 0.940 1013 Q CA -1.984 53.917 55.803 0.163 0.000 0.896 1013 Q CB 0.788 29.622 28.738 0.160 0.000 1.226 1013 Q HN 0.394 nan 8.270 nan 0.000 0.463 1014 P HA -0.258 nan 4.420 nan 0.000 0.216 1014 P C 0.968 178.178 177.300 -0.150 0.000 1.154 1014 P CA 1.935 64.763 63.100 -0.453 0.000 0.865 1014 P CB 0.156 31.587 31.700 -0.450 0.000 0.789 1015 E N -0.671 119.483 120.200 -0.076 0.000 2.267 1015 E HA -0.227 4.133 4.350 0.016 0.000 0.197 1015 E C 1.053 177.653 176.600 0.000 0.000 0.998 1015 E CA 1.383 57.768 56.400 -0.025 0.000 0.830 1015 E CB -0.707 28.992 29.700 -0.002 0.000 0.751 1015 E HN 0.277 nan 8.360 nan 0.000 0.491 1016 D N 0.433 120.847 120.400 0.023 0.000 2.201 1016 D HA 0.056 4.705 4.640 0.016 0.000 0.209 1016 D C 0.218 176.574 176.300 0.093 0.000 0.961 1016 D CA 0.656 54.703 54.000 0.079 0.000 0.861 1016 D CB 0.815 41.677 40.800 0.105 0.000 0.997 1016 D HN 0.040 nan 8.370 nan 0.000 0.486 1017 V N 1.631 121.546 119.914 0.001 0.000 2.668 1017 V HA 0.360 4.490 4.120 0.016 0.000 0.304 1017 V C -0.476 175.454 176.094 -0.273 0.000 1.071 1017 V CA -0.930 61.292 62.300 -0.129 0.000 0.894 1017 V CB 2.955 34.631 31.823 -0.245 0.000 1.008 1017 V HN -0.082 nan 8.190 nan 0.000 0.425 1018 R N 2.794 123.109 120.500 -0.308 0.000 2.637 1018 R HA 0.714 5.063 4.340 0.016 0.000 0.291 1018 R C -1.472 174.602 176.300 -0.375 0.000 0.963 1018 R CA -0.477 55.476 56.100 -0.245 0.000 0.901 1018 R CB 2.252 32.515 30.300 -0.061 0.000 1.160 1018 R HN 0.572 nan 8.270 nan 0.000 0.457 1019 F N 1.596 121.569 119.950 0.038 0.000 2.522 1019 F HA 0.568 5.107 4.527 0.020 0.000 0.324 1019 F C 0.598 176.388 175.800 -0.016 0.000 1.077 1019 F CA -0.823 57.178 58.000 0.000 0.000 0.944 1019 F CB 1.613 40.578 39.000 -0.058 0.000 1.175 1019 F HN 0.158 nan 8.300 nan 0.000 0.468 1020 I N 3.701 124.384 120.570 0.188 0.000 2.420 1020 I HA 0.332 4.511 4.170 0.016 0.000 0.282 1020 I C -0.980 175.176 176.117 0.064 0.000 1.019 1020 I CA -0.297 61.045 61.300 0.069 0.000 1.130 1020 I CB 1.109 39.135 38.000 0.044 0.000 1.262 1020 I HN 0.484 nan 8.210 nan 0.000 0.454 1021 M N 6.705 126.318 119.600 0.021 0.000 2.129 1021 M HA 0.477 4.967 4.480 0.016 0.000 0.348 1021 M C -0.735 175.559 176.300 -0.010 0.000 1.116 1021 M CA -0.625 54.668 55.300 -0.012 0.000 1.022 1021 M CB 1.693 34.256 32.600 -0.062 0.000 1.599 1021 M HN 0.284 nan 8.290 nan 0.000 0.449 1022 I N 2.931 123.504 120.570 0.004 0.000 2.306 1022 I HA 0.211 4.391 4.170 0.016 0.000 0.288 1022 I C -0.276 175.852 176.117 0.019 0.000 1.036 1022 I CA -0.016 61.292 61.300 0.013 0.000 1.221 1022 I CB 0.647 38.667 38.000 0.034 0.000 1.385 1022 I HN 0.618 nan 8.210 nan 0.000 0.472 1023 D N 9.499 129.906 120.400 0.012 0.000 2.607 1023 D HA 0.275 4.925 4.640 0.016 0.000 0.318 1023 D C -1.374 174.933 176.300 0.013 0.000 1.212 1023 D CA -1.953 52.057 54.000 0.016 0.000 0.861 1023 D CB 1.453 42.262 40.800 0.015 0.000 1.064 1023 D HN 0.155 nan 8.370 nan 0.000 0.500 1024 P HA -0.214 nan 4.420 nan 0.000 0.217 1024 P C -0.126 177.177 177.300 0.005 0.000 1.162 1024 P CA 1.339 64.444 63.100 0.009 0.000 0.901 1024 P CB 0.449 32.156 31.700 0.012 0.000 0.793 1025 K N -1.063 119.341 120.400 0.006 0.000 2.328 1025 K HA 0.536 4.866 4.320 0.016 0.000 0.246 1025 K C 0.320 176.924 176.600 0.006 0.000 0.955 1025 K CA -0.920 55.369 56.287 0.004 0.000 0.817 1025 K CB 1.755 34.254 32.500 -0.000 0.000 1.208 1025 K HN -0.090 nan 8.250 nan 0.000 0.432 1026 M N 0.238 119.842 119.600 0.005 0.000 7.319 1026 M HA -0.308 4.182 4.480 0.016 0.000 0.168 1026 M C -0.317 175.989 176.300 0.010 0.000 0.480 1026 M CA 0.881 56.185 55.300 0.007 0.000 1.311 1026 M CB -0.520 32.084 32.600 0.007 0.000 0.421 1026 M HN 0.636 nan 8.290 nan 0.000 0.198 1027 L N -0.048 121.181 121.223 0.011 0.000 3.110 1027 L HA 0.146 4.495 4.340 0.016 0.000 0.266 1027 L C 1.085 177.963 176.870 0.014 0.000 1.257 1027 L CA -0.490 54.358 54.840 0.012 0.000 1.038 1027 L CB 0.016 42.082 42.059 0.011 0.000 1.395 1027 L HN 0.583 nan 8.230 nan 0.000 0.566 1028 E N 1.433 121.644 120.200 0.017 0.000 2.048 1028 E HA -0.215 4.144 4.350 0.016 0.000 0.202 1028 E C 1.983 178.615 176.600 0.052 0.000 1.021 1028 E CA 1.624 58.037 56.400 0.022 0.000 0.825 1028 E CB -0.212 29.501 29.700 0.022 0.000 0.756 1028 E HN 0.414 nan 8.360 nan 0.000 0.454 1029 L N 1.147 122.413 121.223 0.071 0.000 2.552 1029 L HA 0.003 4.353 4.340 0.016 0.000 0.227 1029 L C 2.052 179.015 176.870 0.156 0.000 1.146 1029 L CA 0.780 55.709 54.840 0.149 0.000 0.858 1029 L CB -0.542 41.544 42.059 0.045 0.000 0.969 1029 L HN 0.179 nan 8.230 nan 0.000 0.451 1030 S N -0.894 114.842 115.700 0.060 0.000 2.469 1030 S HA -0.139 4.340 4.470 0.016 0.000 0.238 1030 S C 1.807 176.396 174.600 -0.019 0.000 0.998 1030 S CA 0.868 59.086 58.200 0.030 0.000 0.957 1030 S CB -0.452 62.757 63.200 0.014 0.000 0.764 1030 S HN 0.277 nan 8.310 nan 0.000 0.514 1031 V N 0.341 120.190 119.914 -0.107 0.000 3.078 1031 V HA 0.033 4.162 4.120 0.016 0.000 0.265 1031 V C 1.036 176.858 176.094 -0.453 0.000 1.122 1031 V CA 1.081 63.177 62.300 -0.340 0.000 1.141 1031 V CB -0.850 30.635 31.823 -0.564 0.000 0.735 1031 V HN 0.693 nan 8.190 nan 0.000 0.498 1032 Y N -0.240 119.988 120.300 -0.120 0.000 2.457 1032 Y HA 0.382 4.943 4.550 0.020 0.000 0.263 1032 Y C 1.091 176.967 175.900 -0.040 0.000 1.164 1032 Y CA -0.441 57.594 58.100 -0.108 0.000 1.274 1032 Y CB 0.075 38.434 38.460 -0.169 0.000 1.097 1032 Y HN 0.239 nan 8.280 nan 0.000 0.523 1033 E N 0.658 120.909 120.200 0.084 0.000 2.529 1033 E HA 0.257 4.616 4.350 0.016 0.000 0.259 1033 E C 1.241 177.902 176.600 0.102 0.000 0.966 1033 E CA 1.267 57.726 56.400 0.098 0.000 0.937 1033 E CB 0.156 29.897 29.700 0.069 0.000 0.923 1033 E HN 0.520 nan 8.360 nan 0.000 0.468 1034 G N 3.701 112.586 108.800 0.141 0.000 2.232 1034 G HA2 -0.291 3.679 3.960 0.016 0.000 0.226 1034 G HA3 -0.291 3.679 3.960 0.016 0.000 0.226 1034 G C 0.263 175.239 174.900 0.128 0.000 0.996 1034 G CA -0.128 45.041 45.100 0.115 0.000 0.626 1034 G HN 0.559 nan 8.290 nan 0.000 0.509 1035 I N 3.750 124.416 120.570 0.160 0.000 2.752 1035 I HA 0.189 4.368 4.170 0.016 0.000 0.289 1035 I C 0.088 176.319 176.117 0.190 0.000 1.197 1035 I CA -1.241 60.179 61.300 0.200 0.000 1.432 1035 I CB 0.969 39.075 38.000 0.176 0.000 1.359 1035 I HN 0.017 nan 8.210 nan 0.000 0.571 1036 P HA -0.188 nan 4.420 nan 0.000 0.225 1036 P C 1.048 178.311 177.300 -0.062 0.000 1.148 1036 P CA 1.611 64.722 63.100 0.018 0.000 0.779 1036 P CB -0.118 31.583 31.700 0.001 0.000 0.780 1037 H N -0.469 118.582 119.070 -0.032 0.000 2.462 1037 H HA 0.103 4.669 4.556 0.017 0.000 0.292 1037 H C 1.134 176.539 175.328 0.129 0.000 1.049 1037 H CA -0.050 56.007 56.048 0.015 0.000 1.334 1037 H CB -0.196 29.625 29.762 0.097 0.000 1.404 1037 H HN 0.174 nan 8.280 nan 0.000 0.544 1038 L N 2.054 123.458 121.223 0.302 0.000 2.559 1038 L HA -0.111 4.239 4.340 0.016 0.000 0.274 1038 L C 1.589 178.598 176.870 0.232 0.000 1.205 1038 L CA 0.030 55.033 54.840 0.271 0.000 0.907 1038 L CB 0.885 43.116 42.059 0.286 0.000 1.153 1038 L HN 0.223 nan 8.230 nan 0.000 0.490 1039 L N 1.823 123.120 121.223 0.124 0.000 2.270 1039 L HA 0.036 4.385 4.340 0.016 0.000 0.210 1039 L C 0.992 177.854 176.870 -0.012 0.000 1.104 1039 L CA 0.871 55.731 54.840 0.034 0.000 0.804 1039 L CB 0.226 42.224 42.059 -0.102 0.000 0.937 1039 L HN 0.730 nan 8.230 nan 0.000 0.450 1040 T N -1.418 113.047 114.554 -0.148 0.000 2.792 1040 T HA 0.226 4.585 4.350 0.016 0.000 0.303 1040 T C -1.156 173.180 174.700 -0.606 0.000 1.310 1040 T CA -0.717 61.056 62.100 -0.546 0.000 1.007 1040 T CB 1.440 70.058 68.868 -0.416 0.000 1.335 1040 T HN 0.051 nan 8.240 nan 0.000 0.504 1041 E N 1.119 120.811 120.200 -0.847 0.000 2.398 1041 E HA 0.271 4.630 4.350 0.016 0.000 0.263 1041 E C -0.082 176.405 176.600 -0.189 0.000 1.046 1041 E CA -0.501 55.652 56.400 -0.412 0.000 0.908 1041 E CB 0.570 30.075 29.700 -0.325 0.000 0.963 1041 E HN 0.389 nan 8.360 nan 0.000 0.431 1042 V N 3.101 122.971 119.914 -0.074 0.000 2.583 1042 V HA -0.110 4.020 4.120 0.016 0.000 0.302 1042 V C 0.270 176.331 176.094 -0.055 0.000 1.033 1042 V CA 0.298 62.574 62.300 -0.040 0.000 1.194 1042 V CB -0.118 31.705 31.823 0.001 0.000 0.879 1042 V HN 0.376 nan 8.190 nan 0.000 0.482 1043 V N 5.783 125.666 119.914 -0.053 0.000 2.521 1043 V HA 0.117 4.246 4.120 0.016 0.000 0.286 1043 V C 1.110 177.190 176.094 -0.023 0.000 1.034 1043 V CA 0.464 62.736 62.300 -0.047 0.000 1.045 1043 V CB 0.819 32.617 31.823 -0.041 0.000 0.974 1043 V HN 1.081 nan 8.190 nan 0.000 0.480 1044 T N 1.988 116.528 114.554 -0.023 0.000 2.999 1044 T HA 0.070 4.429 4.350 0.016 0.000 0.247 1044 T C 0.481 175.176 174.700 -0.008 0.000 1.012 1044 T CA 0.005 62.098 62.100 -0.011 0.000 1.048 1044 T CB 0.095 68.956 68.868 -0.011 0.000 1.020 1044 T HN 0.781 nan 8.240 nan 0.000 0.478 1045 D N 0.767 121.160 120.400 -0.012 0.000 2.308 1045 D HA 0.214 4.864 4.640 0.016 0.000 0.251 1045 D C 1.116 177.415 176.300 -0.003 0.000 1.127 1045 D CA -0.183 53.813 54.000 -0.008 0.000 0.876 1045 D CB 0.988 41.782 40.800 -0.010 0.000 1.176 1045 D HN -0.165 nan 8.370 nan 0.000 0.446 1046 M N 3.007 122.607 119.600 0.000 0.000 2.358 1046 M HA -0.039 4.451 4.480 0.016 0.000 0.264 1046 M C 1.339 177.644 176.300 0.008 0.000 1.064 1046 M CA 1.603 56.906 55.300 0.005 0.000 1.093 1046 M CB 0.034 32.635 32.600 0.002 0.000 1.401 1046 M HN 0.393 nan 8.290 nan 0.000 0.440 1047 K N -0.830 119.572 120.400 0.005 0.000 2.137 1047 K HA -0.044 4.286 4.320 0.016 0.000 0.202 1047 K C 1.453 178.058 176.600 0.009 0.000 1.052 1047 K CA 1.101 57.392 56.287 0.007 0.000 0.961 1047 K CB -0.116 32.387 32.500 0.005 0.000 0.741 1047 K HN 0.212 nan 8.250 nan 0.000 0.452 1048 D N 1.309 121.709 120.400 0.001 0.000 2.144 1048 D HA -0.120 4.529 4.640 0.016 0.000 0.199 1048 D C 1.879 178.182 176.300 0.004 0.000 0.984 1048 D CA 1.223 55.220 54.000 -0.005 0.000 0.834 1048 D CB -0.220 40.566 40.800 -0.022 0.000 0.955 1048 D HN 0.186 nan 8.370 nan 0.000 0.465 1049 A N 1.196 124.022 122.820 0.010 0.000 1.873 1049 A HA -0.183 4.146 4.320 0.016 0.000 0.218 1049 A C 2.350 179.956 177.584 0.036 0.000 1.193 1049 A CA 2.732 54.783 52.037 0.023 0.000 0.629 1049 A CB -0.950 18.069 19.000 0.030 0.000 0.826 1049 A HN 0.256 nan 8.150 nan 0.000 0.447 1050 A N 0.000 122.840 122.820 0.034 0.000 1.883 1050 A HA -0.254 4.076 4.320 0.016 0.000 0.217 1050 A C 1.916 179.529 177.584 0.049 0.000 1.186 1050 A CA 1.874 53.934 52.037 0.039 0.000 0.624 1050 A CB -0.979 18.039 19.000 0.031 0.000 0.822 1050 A HN 0.751 nan 8.150 nan 0.000 0.444 1051 N N 0.047 118.774 118.700 0.045 0.000 2.120 1051 N HA -0.090 4.659 4.740 0.016 0.000 0.188 1051 N C 1.984 177.555 175.510 0.100 0.000 1.024 1051 N CA 1.056 54.144 53.050 0.062 0.000 0.852 1051 N CB -0.282 38.230 38.487 0.042 0.000 1.003 1051 N HN 0.507 nan 8.380 nan 0.000 0.424 1052 A N 1.410 124.273 122.820 0.071 0.000 1.908 1052 A HA -0.133 4.197 4.320 0.016 0.000 0.218 1052 A C 2.160 179.848 177.584 0.173 0.000 1.181 1052 A CA 1.150 53.240 52.037 0.089 0.000 0.627 1052 A CB -0.757 18.257 19.000 0.024 0.000 0.818 1052 A HN 0.183 nan 8.150 nan 0.000 0.445 1053 L N -1.425 119.869 121.223 0.118 0.000 2.027 1053 L HA -0.160 4.190 4.340 0.016 0.000 0.206 1053 L C 2.823 179.758 176.870 0.109 0.000 1.074 1053 L CA 1.647 56.550 54.840 0.104 0.000 0.745 1053 L CB -0.523 41.573 42.059 0.061 0.000 0.898 1053 L HN 0.416 nan 8.230 nan 0.000 0.433 1054 R N -0.535 120.025 120.500 0.100 0.000 2.105 1054 R HA -0.254 4.096 4.340 0.016 0.000 0.239 1054 R C 2.209 178.565 176.300 0.093 0.000 1.135 1054 R CA 2.014 58.159 56.100 0.074 0.000 0.967 1054 R CB -0.402 29.938 30.300 0.067 0.000 0.861 1054 R HN 0.403 nan 8.270 nan 0.000 0.442 1055 W N 0.743 122.037 121.300 -0.010 0.000 2.332 1055 W HA -0.289 4.381 4.660 0.017 0.000 0.321 1055 W C 2.247 178.756 176.519 -0.016 0.000 1.219 1055 W CA 1.697 59.036 57.345 -0.011 0.000 1.277 1055 W CB -0.789 28.665 29.460 -0.010 0.000 1.161 1055 W HN 0.096 nan 8.180 nan 0.000 0.476 1056 C N -0.122 119.298 119.300 0.200 0.000 2.375 1056 C HA -0.287 4.183 4.460 0.016 0.000 0.274 1056 C C 2.732 177.624 174.990 -0.163 0.000 1.190 1056 C CA 1.423 60.442 59.018 0.001 0.000 1.775 1056 C CB -1.614 26.205 27.740 0.131 0.000 2.067 1056 C HN 0.316 nan 8.230 nan 0.000 0.463 1057 V N 1.296 121.154 119.914 -0.093 0.000 2.392 1057 V HA -0.257 3.872 4.120 0.016 0.000 0.249 1057 V C 1.966 177.967 176.094 -0.155 0.000 1.059 1057 V CA 2.413 64.656 62.300 -0.095 0.000 1.051 1057 V CB -0.859 30.933 31.823 -0.050 0.000 0.658 1057 V HN 0.628 nan 8.190 nan 0.000 0.455 1058 N N -0.194 118.368 118.700 -0.231 0.000 2.250 1058 N HA -0.167 4.582 4.740 0.016 0.000 0.181 1058 N C 1.895 177.181 175.510 -0.373 0.000 1.017 1058 N CA 0.864 53.755 53.050 -0.265 0.000 0.866 1058 N CB -0.105 38.223 38.487 -0.265 0.000 0.985 1058 N HN 0.419 nan 8.380 nan 0.000 0.429 1059 E N 1.479 121.312 120.200 -0.611 0.000 2.204 1059 E HA -0.169 4.191 4.350 0.016 0.000 0.195 1059 E C 1.804 178.159 176.600 -0.407 0.000 0.990 1059 E CA 0.966 56.965 56.400 -0.668 0.000 0.821 1059 E CB -0.095 28.934 29.700 -1.118 0.000 0.750 1059 E HN 0.376 nan 8.360 nan 0.000 0.477 1060 M N -0.313 119.100 119.600 -0.311 0.000 2.236 1060 M HA -0.072 4.418 4.480 0.016 0.000 0.266 1060 M C 1.559 177.766 176.300 -0.155 0.000 1.070 1060 M CA 1.533 56.683 55.300 -0.249 0.000 1.137 1060 M CB 0.032 32.556 32.600 -0.127 0.000 1.378 1060 M HN 0.025 nan 8.290 nan 0.000 0.426 1061 E N 0.152 120.298 120.200 -0.091 0.000 2.106 1061 E HA -0.208 4.151 4.350 0.016 0.000 0.192 1061 E C 2.115 178.662 176.600 -0.087 0.000 0.984 1061 E CA 1.003 57.391 56.400 -0.019 0.000 0.806 1061 E CB -0.268 29.396 29.700 -0.060 0.000 0.750 1061 E HN 0.549 nan 8.360 nan 0.000 0.458 1062 R N 1.488 121.887 120.500 -0.169 0.000 2.073 1062 R HA -0.118 4.232 4.340 0.016 0.000 0.234 1062 R C 2.231 178.423 176.300 -0.181 0.000 1.134 1062 R CA 1.355 57.349 56.100 -0.177 0.000 0.952 1062 R CB -0.006 30.178 30.300 -0.193 0.000 0.850 1062 R HN 0.028 nan 8.270 nan 0.000 0.433 1063 R N -0.958 119.384 120.500 -0.264 0.000 2.120 1063 R HA -0.150 4.199 4.340 0.016 0.000 0.234 1063 R C 2.106 178.221 176.300 -0.308 0.000 1.123 1063 R CA 1.645 57.525 56.100 -0.366 0.000 0.975 1063 R CB -0.277 29.732 30.300 -0.484 0.000 0.866 1063 R HN 0.412 nan 8.270 nan 0.000 0.446 1064 Y N 0.786 120.991 120.300 -0.159 0.000 2.314 1064 Y HA -0.117 4.442 4.550 0.016 0.000 0.293 1064 Y C 2.292 178.144 175.900 -0.080 0.000 1.129 1064 Y CA 0.877 58.911 58.100 -0.110 0.000 1.201 1064 Y CB 0.185 38.587 38.460 -0.098 0.000 0.999 1064 Y HN -0.030 nan 8.280 nan 0.000 0.541 1065 K N 0.281 120.699 120.400 0.030 0.000 2.009 1065 K HA -0.201 4.128 4.320 0.016 0.000 0.210 1065 K C 1.889 178.592 176.600 0.171 0.000 1.049 1065 K CA 1.565 57.823 56.287 -0.049 0.000 0.929 1065 K CB -0.442 31.833 32.500 -0.375 0.000 0.714 1065 K HN 0.312 nan 8.250 nan 0.000 0.440 1066 L N 0.603 121.925 121.223 0.166 0.000 2.012 1066 L HA -0.204 4.145 4.340 0.016 0.000 0.210 1066 L C 2.620 179.621 176.870 0.218 0.000 1.073 1066 L CA 1.297 56.297 54.840 0.266 0.000 0.748 1066 L CB -0.457 41.676 42.059 0.123 0.000 0.891 1066 L HN 0.276 nan 8.230 nan 0.000 0.431 1067 M N -0.827 118.836 119.600 0.105 0.000 2.267 1067 M HA -0.201 4.289 4.480 0.016 0.000 0.263 1067 M C 2.370 178.768 176.300 0.163 0.000 1.063 1067 M CA 1.461 56.847 55.300 0.143 0.000 1.090 1067 M CB -0.314 32.345 32.600 0.099 0.000 1.392 1067 M HN 0.216 nan 8.290 nan 0.000 0.422 1068 S N 0.407 116.208 115.700 0.169 0.000 2.362 1068 S HA -0.001 4.479 4.470 0.016 0.000 0.221 1068 S C 2.110 176.795 174.600 0.142 0.000 1.032 1068 S CA 1.081 59.367 58.200 0.144 0.000 0.973 1068 S CB -0.321 62.962 63.200 0.139 0.000 0.849 1068 S HN 0.572 nan 8.310 nan 0.000 0.465 1069 A N 1.358 124.290 122.820 0.187 0.000 1.986 1069 A HA -0.062 4.268 4.320 0.016 0.000 0.220 1069 A C 1.785 179.410 177.584 0.069 0.000 1.171 1069 A CA 1.278 53.375 52.037 0.100 0.000 0.640 1069 A CB -0.638 18.381 19.000 0.033 0.000 0.811 1069 A HN 0.504 nan 8.150 nan 0.000 0.451 1070 L N -1.428 119.858 121.223 0.105 0.000 2.640 1070 L HA 0.282 4.631 4.340 0.016 0.000 0.230 1070 L C 1.295 178.207 176.870 0.070 0.000 1.123 1070 L CA 0.235 55.121 54.840 0.077 0.000 0.900 1070 L CB -0.391 41.726 42.059 0.098 0.000 1.146 1070 L HN 0.507 nan 8.230 nan 0.000 0.484 1071 G N 1.592 110.439 108.800 0.077 0.000 2.350 1071 G HA2 -0.217 3.753 3.960 0.016 0.000 0.298 1071 G HA3 -0.217 3.753 3.960 0.016 0.000 0.298 1071 G C -0.350 174.592 174.900 0.069 0.000 1.037 1071 G CA 0.147 45.285 45.100 0.063 0.000 1.074 1071 G HN 0.143 nan 8.290 nan 0.000 0.511 1072 V N -0.159 119.811 119.914 0.094 0.000 2.823 1072 V HA 0.568 4.698 4.120 0.016 0.000 0.312 1072 V C 1.274 177.430 176.094 0.103 0.000 1.072 1072 V CA -0.775 61.584 62.300 0.098 0.000 0.937 1072 V CB 1.861 33.763 31.823 0.132 0.000 1.013 1072 V HN 0.477 nan 8.190 nan 0.000 0.430 1073 R N 1.570 122.124 120.500 0.091 0.000 2.146 1073 R HA 0.228 4.577 4.340 0.016 0.000 0.206 1073 R C 0.012 176.378 176.300 0.109 0.000 1.049 1073 R CA 0.343 56.501 56.100 0.097 0.000 1.029 1073 R CB 0.188 30.531 30.300 0.073 0.000 0.949 1073 R HN 0.646 nan 8.270 nan 0.000 0.471 1074 N N -0.111 118.641 118.700 0.088 0.000 2.563 1074 N HA 0.164 4.913 4.740 0.016 0.000 0.288 1074 N C 0.318 175.850 175.510 0.035 0.000 1.246 1074 N CA -0.534 52.558 53.050 0.071 0.000 0.946 1074 N CB 0.977 39.514 38.487 0.082 0.000 1.213 1074 N HN -0.156 nan 8.380 nan 0.000 0.578 1075 L N 0.259 121.472 121.223 -0.018 0.000 2.209 1075 L HA 0.123 4.473 4.340 0.016 0.000 0.207 1075 L C 1.711 178.576 176.870 -0.008 0.000 1.094 1075 L CA 0.932 55.712 54.840 -0.099 0.000 0.790 1075 L CB -0.443 41.450 42.059 -0.277 0.000 0.932 1075 L HN 0.682 nan 8.230 nan 0.000 0.447 1076 A N 0.116 122.943 122.820 0.011 0.000 1.908 1076 A HA -0.164 4.166 4.320 0.016 0.000 0.218 1076 A C 2.244 179.863 177.584 0.058 0.000 1.181 1076 A CA 1.713 53.777 52.037 0.045 0.000 0.627 1076 A CB -1.222 17.834 19.000 0.093 0.000 0.818 1076 A HN 0.496 nan 8.150 nan 0.000 0.445 1077 G N -2.019 106.826 108.800 0.074 0.000 2.422 1077 G HA2 -0.218 3.751 3.960 0.016 0.000 0.218 1077 G HA3 -0.218 3.751 3.960 0.016 0.000 0.218 1077 G C 1.513 176.463 174.900 0.082 0.000 1.140 1077 G CA 1.199 46.340 45.100 0.068 0.000 0.775 1077 G HN 0.625 nan 8.290 nan 0.000 0.545 1078 Y N 1.672 121.957 120.300 -0.025 0.000 2.163 1078 Y HA -0.097 4.462 4.550 0.016 0.000 0.288 1078 Y C 2.523 178.401 175.900 -0.037 0.000 1.136 1078 Y CA 2.132 60.214 58.100 -0.030 0.000 1.147 1078 Y CB -0.454 37.976 38.460 -0.050 0.000 0.987 1078 Y HN 0.275 nan 8.280 nan 0.000 0.509 1079 N N -0.037 118.678 118.700 0.025 0.000 2.289 1079 N HA -0.166 4.584 4.740 0.016 0.000 0.184 1079 N C 1.511 176.956 175.510 -0.108 0.000 1.016 1079 N CA 1.269 54.270 53.050 -0.081 0.000 0.872 1079 N CB -0.098 38.391 38.487 0.003 0.000 0.973 1079 N HN 0.551 nan 8.380 nan 0.000 0.433 1080 E N 0.545 120.707 120.200 -0.062 0.000 2.152 1080 E HA -0.128 4.232 4.350 0.016 0.000 0.192 1080 E C 1.635 178.186 176.600 -0.082 0.000 0.983 1080 E CA 0.726 57.095 56.400 -0.051 0.000 0.818 1080 E CB 0.126 29.815 29.700 -0.018 0.000 0.758 1080 E HN 0.156 nan 8.360 nan 0.000 0.467 1081 K N 0.860 121.188 120.400 -0.120 0.000 2.057 1081 K HA -0.080 4.249 4.320 0.016 0.000 0.206 1081 K C 1.870 178.366 176.600 -0.174 0.000 1.050 1081 K CA 0.769 56.976 56.287 -0.133 0.000 0.935 1081 K CB 0.007 32.417 32.500 -0.150 0.000 0.715 1081 K HN 0.022 nan 8.250 nan 0.000 0.439 1082 I N 0.563 120.971 120.570 -0.269 0.000 2.315 1082 I HA -0.161 4.018 4.170 0.016 0.000 0.248 1082 I C 2.161 178.193 176.117 -0.140 0.000 1.117 1082 I CA 1.364 62.514 61.300 -0.249 0.000 1.404 1082 I CB -1.376 36.419 38.000 -0.342 0.000 1.071 1082 I HN 0.128 nan 8.210 nan 0.000 0.419 1083 A N 0.431 123.183 122.820 -0.112 0.000 1.898 1083 A HA -0.232 4.097 4.320 0.016 0.000 0.216 1083 A C 2.361 179.910 177.584 -0.058 0.000 1.181 1083 A CA 1.694 53.690 52.037 -0.068 0.000 0.620 1083 A CB -0.621 18.349 19.000 -0.049 0.000 0.819 1083 A HN 0.465 nan 8.150 nan 0.000 0.442 1084 E N -0.162 120.000 120.200 -0.063 0.000 2.038 1084 E HA -0.160 4.199 4.350 0.016 0.000 0.195 1084 E C 2.188 178.758 176.600 -0.050 0.000 1.000 1084 E CA 1.202 57.572 56.400 -0.049 0.000 0.803 1084 E CB -0.291 29.379 29.700 -0.049 0.000 0.750 1084 E HN 0.532 nan 8.360 nan 0.000 0.448 1085 A N 0.949 123.730 122.820 -0.066 0.000 1.986 1085 A HA -0.249 4.081 4.320 0.016 0.000 0.220 1085 A C 1.780 179.334 177.584 -0.050 0.000 1.171 1085 A CA 2.051 54.053 52.037 -0.060 0.000 0.640 1085 A CB -0.564 18.390 19.000 -0.076 0.000 0.811 1085 A HN 0.290 nan 8.150 nan 0.000 0.451 1086 D N -0.667 119.701 120.400 -0.053 0.000 2.084 1086 D HA -0.087 4.562 4.640 0.016 0.000 0.196 1086 D C 2.232 178.513 176.300 -0.031 0.000 0.985 1086 D CA 1.043 55.019 54.000 -0.041 0.000 0.826 1086 D CB -0.328 40.447 40.800 -0.041 0.000 0.978 1086 D HN 0.407 nan 8.370 nan 0.000 0.456 1087 R N -0.236 120.246 120.500 -0.030 0.000 2.127 1087 R HA -0.032 4.317 4.340 0.016 0.000 0.238 1087 R C 1.588 177.876 176.300 -0.021 0.000 1.134 1087 R CA 0.847 56.933 56.100 -0.023 0.000 0.975 1087 R CB -0.061 30.226 30.300 -0.021 0.000 0.865 1087 R HN 0.216 nan 8.270 nan 0.000 0.447 1088 M N -0.199 119.387 119.600 -0.024 0.000 2.494 1088 M HA 0.141 4.631 4.480 0.016 0.000 0.232 1088 M C 0.474 176.761 176.300 -0.022 0.000 1.137 1088 M CA 0.243 55.530 55.300 -0.021 0.000 1.012 1088 M CB -0.054 32.532 32.600 -0.023 0.000 1.567 1088 M HN 0.185 nan 8.290 nan 0.000 0.486 1089 M N 0.904 120.490 119.600 -0.024 0.000 2.282 1089 M HA -0.241 4.249 4.480 0.016 0.000 0.199 1089 M C 0.073 176.359 176.300 -0.024 0.000 0.349 1089 M CA 0.808 56.094 55.300 -0.023 0.000 0.416 1089 M CB -1.343 31.246 32.600 -0.019 0.000 1.366 1089 M HN 0.257 nan 8.290 nan 0.000 0.907 1090 R N 1.690 122.174 120.500 -0.028 0.000 2.664 1090 R HA 0.353 4.703 4.340 0.016 0.000 0.281 1090 R C -2.362 173.917 176.300 -0.034 0.000 1.383 1090 R CA -1.529 54.555 56.100 -0.027 0.000 1.563 1090 R CB 0.606 30.890 30.300 -0.026 0.000 1.131 1090 R HN 0.048 nan 8.270 nan 0.000 0.599 1091 P HA -0.008 nan 4.420 nan 0.000 0.265 1091 P C -0.370 176.906 177.300 -0.039 0.000 1.193 1091 P CA 0.011 63.087 63.100 -0.040 0.000 0.765 1091 P CB 0.766 32.444 31.700 -0.037 0.000 0.823 1092 I N 5.819 126.360 120.570 -0.048 0.000 2.322 1092 I HA 0.189 4.368 4.170 0.016 0.000 0.292 1092 I C -1.709 174.392 176.117 -0.026 0.000 1.060 1092 I CA -2.734 58.542 61.300 -0.041 0.000 1.309 1092 I CB 0.389 38.353 38.000 -0.059 0.000 1.415 1092 I HN 0.198 nan 8.210 nan 0.000 0.492 1093 P HA 0.061 nan 4.420 nan 0.000 0.278 1093 P C -0.310 177.004 177.300 0.022 0.000 1.238 1093 P CA -0.461 62.639 63.100 0.001 0.000 0.794 1093 P CB 1.047 32.756 31.700 0.015 0.000 0.955 1094 D N 4.433 124.862 120.400 0.050 0.000 2.554 1094 D HA -0.058 4.591 4.640 0.016 0.000 0.251 1094 D C -0.902 175.444 176.300 0.076 0.000 1.213 1094 D CA -1.301 52.759 54.000 0.100 0.000 0.900 1094 D CB 0.301 41.202 40.800 0.167 0.000 1.135 1094 D HN 0.243 nan 8.370 nan 0.000 0.522 1095 P HA -0.144 nan 4.420 nan 0.000 0.226 1095 P C 0.592 177.676 177.300 -0.360 0.000 1.153 1095 P CA 1.008 63.945 63.100 -0.271 0.000 0.777 1095 P CB -0.028 31.399 31.700 -0.455 0.000 0.794 1096 Y N -3.237 117.145 120.300 0.137 0.000 2.462 1096 Y HA 0.182 4.741 4.550 0.016 0.000 0.261 1096 Y C 1.692 177.672 175.900 0.132 0.000 1.146 1096 Y CA -1.021 57.144 58.100 0.107 0.000 1.283 1096 Y CB -0.307 38.202 38.460 0.082 0.000 1.090 1096 Y HN -0.049 nan 8.280 nan 0.000 0.526 1108 P HA 0.534 nan 4.420 nan 0.000 0.298 1108 P C -0.961 176.237 177.300 -0.169 0.000 1.341 1108 P CA -0.711 62.134 63.100 -0.425 0.000 0.988 1108 P CB 3.096 34.466 31.700 -0.550 0.000 1.265 1109 V N 2.209 122.048 119.914 -0.125 0.000 2.612 1109 V HA 0.282 4.411 4.120 0.016 0.000 0.301 1109 V C 0.874 176.948 176.094 -0.033 0.000 1.046 1109 V CA -0.986 61.276 62.300 -0.063 0.000 0.946 1109 V CB 1.431 33.217 31.823 -0.060 0.000 1.003 1109 V HN 0.426 nan 8.190 nan 0.000 0.459 1110 L N 3.312 124.530 121.223 -0.009 0.000 2.439 1110 L HA 0.404 4.753 4.340 0.016 0.000 0.269 1110 L C 0.208 177.075 176.870 -0.005 0.000 1.179 1110 L CA 0.191 55.049 54.840 0.030 0.000 0.828 1110 L CB 0.531 42.614 42.059 0.041 0.000 1.106 1110 L HN 0.654 nan 8.230 nan 0.000 0.467 1111 K N 1.455 121.880 120.400 0.042 0.000 2.395 1111 K HA 0.402 4.731 4.320 0.016 0.000 0.245 1111 K C -0.858 175.778 176.600 0.060 0.000 1.017 1111 K CA -0.935 55.361 56.287 0.015 0.000 0.852 1111 K CB 1.798 34.309 32.500 0.017 0.000 1.311 1111 K HN 0.353 nan 8.250 nan 0.000 0.452 1112 K N 1.538 121.951 120.400 0.022 0.000 2.448 1112 K HA -0.005 4.325 4.320 0.016 0.000 0.278 1112 K C -0.566 176.098 176.600 0.108 0.000 1.009 1112 K CA 0.382 56.702 56.287 0.055 0.000 0.995 1112 K CB 0.683 33.186 32.500 0.004 0.000 0.917 1112 K HN 0.336 nan 8.250 nan 0.000 0.481 1113 E N 3.748 124.041 120.200 0.155 0.000 2.166 1113 E HA 0.252 4.611 4.350 0.016 0.000 0.275 1113 E C -2.384 174.179 176.600 -0.062 0.000 0.941 1113 E CA -2.125 54.297 56.400 0.037 0.000 0.784 1113 E CB 1.170 30.840 29.700 -0.051 0.000 1.115 1113 E HN 0.253 nan 8.360 nan 0.000 0.399 1114 P HA 0.142 nan 4.420 nan 0.000 0.281 1114 P C -0.879 176.370 177.300 -0.085 0.000 1.264 1114 P CA -0.435 62.625 63.100 -0.066 0.000 0.824 1114 P CB 0.630 32.319 31.700 -0.018 0.000 1.092 1115 Y N 0.266 120.549 120.300 -0.028 0.000 2.425 1115 Y HA 0.192 4.751 4.550 0.016 0.000 0.331 1115 Y C 1.063 176.939 175.900 -0.041 0.000 1.157 1115 Y CA 0.256 58.351 58.100 -0.009 0.000 1.372 1115 Y CB 0.202 38.642 38.460 -0.033 0.000 1.253 1115 Y HN 0.080 nan 8.280 nan 0.000 0.536 1116 I N 4.281 124.961 120.570 0.184 0.000 2.339 1116 I HA 0.244 4.424 4.170 0.016 0.000 0.290 1116 I C -0.965 175.233 176.117 0.135 0.000 0.994 1116 I CA -0.759 60.606 61.300 0.108 0.000 1.191 1116 I CB 1.110 39.206 38.000 0.159 0.000 1.343 1116 I HN 0.222 nan 8.210 nan 0.000 0.458 1117 V N 7.659 127.586 119.914 0.022 0.000 2.328 1117 V HA 0.243 4.373 4.120 0.016 0.000 0.278 1117 V C 0.109 176.316 176.094 0.189 0.000 1.021 1117 V CA -0.639 61.730 62.300 0.116 0.000 0.838 1117 V CB 1.647 33.520 31.823 0.084 0.000 0.999 1117 V HN 0.380 nan 8.190 nan 0.000 0.447 1118 V N 7.142 127.159 119.914 0.173 0.000 2.385 1118 V HA 0.380 4.509 4.120 0.016 0.000 0.269 1118 V C -0.023 176.138 176.094 0.112 0.000 1.043 1118 V CA -0.276 62.106 62.300 0.137 0.000 0.906 1118 V CB 1.349 33.237 31.823 0.108 0.000 0.995 1118 V HN 0.637 nan 8.190 nan 0.000 0.467 1119 L N 5.786 127.062 121.223 0.089 0.000 2.296 1119 L HA 0.605 4.955 4.340 0.016 0.000 0.286 1119 L C -0.733 176.150 176.870 0.023 0.000 1.023 1119 L CA -0.435 54.427 54.840 0.037 0.000 0.812 1119 L CB 1.858 43.901 42.059 -0.026 0.000 1.223 1119 L HN 0.420 nan 8.230 nan 0.000 0.421 1120 V N 3.036 122.966 119.914 0.028 0.000 2.325 1120 V HA 0.196 4.326 4.120 0.016 0.000 0.280 1120 V C -0.562 175.577 176.094 0.075 0.000 1.016 1120 V CA -0.687 61.647 62.300 0.057 0.000 0.818 1120 V CB 1.496 33.371 31.823 0.087 0.000 1.019 1120 V HN 0.592 nan 8.190 nan 0.000 0.434 1121 D N 4.577 125.011 120.400 0.057 0.000 2.336 1121 D HA 0.292 4.942 4.640 0.016 0.000 0.249 1121 D C 0.440 176.791 176.300 0.084 0.000 1.213 1121 D CA 0.331 54.366 54.000 0.058 0.000 0.870 1121 D CB 0.522 41.340 40.800 0.029 0.000 1.076 1121 D HN 0.643 nan 8.370 nan 0.000 0.483 1122 E N 3.076 123.348 120.200 0.120 0.000 2.326 1122 E HA -0.261 4.099 4.350 0.016 0.000 0.195 1122 E C -0.162 176.517 176.600 0.132 0.000 1.367 1122 E CA 0.323 56.791 56.400 0.114 0.000 0.666 1122 E CB -2.152 27.577 29.700 0.048 0.000 1.147 1122 E HN 0.553 nan 8.360 nan 0.000 0.384 1123 F N -0.189 119.768 119.950 0.012 0.000 2.773 1123 F HA 0.317 4.852 4.527 0.014 0.000 0.299 1123 F C 1.617 177.423 175.800 0.010 0.000 1.204 1123 F CA 0.566 58.572 58.000 0.011 0.000 1.454 1123 F CB -0.169 38.840 39.000 0.014 0.000 1.117 1123 F HN 0.260 nan 8.300 nan 0.000 0.590 1124 A N 0.889 123.482 122.820 -0.379 0.000 1.897 1124 A HA -0.122 4.207 4.320 0.016 0.000 0.215 1124 A C 2.005 179.436 177.584 -0.253 0.000 1.181 1124 A CA 1.575 53.348 52.037 -0.440 0.000 0.620 1124 A CB -0.766 18.100 19.000 -0.223 0.000 0.821 1124 A HN 0.433 nan 8.150 nan 0.000 0.443 1125 D N 0.099 120.421 120.400 -0.130 0.000 2.149 1125 D HA -0.138 4.511 4.640 0.016 0.000 0.198 1125 D C 1.881 178.138 176.300 -0.072 0.000 0.990 1125 D CA 0.869 54.824 54.000 -0.076 0.000 0.839 1125 D CB -0.320 40.461 40.800 -0.033 0.000 0.948 1125 D HN 0.421 nan 8.370 nan 0.000 0.460 1126 L N 0.059 121.242 121.223 -0.066 0.000 2.083 1126 L HA -0.150 4.199 4.340 0.016 0.000 0.209 1126 L C 2.373 179.207 176.870 -0.060 0.000 1.083 1126 L CA 0.747 55.574 54.840 -0.022 0.000 0.752 1126 L CB -0.048 42.053 42.059 0.070 0.000 0.899 1126 L HN 0.028 nan 8.230 nan 0.000 0.433 1127 M N -1.891 117.606 119.600 -0.171 0.000 2.160 1127 M HA -0.129 4.360 4.480 0.016 0.000 0.264 1127 M C 1.829 178.064 176.300 -0.109 0.000 1.073 1127 M CA 1.336 56.539 55.300 -0.161 0.000 1.142 1127 M CB -0.741 31.671 32.600 -0.313 0.000 1.358 1127 M HN 0.176 nan 8.290 nan 0.000 0.422 1128 M N 0.092 119.620 119.600 -0.121 0.000 2.752 1128 M HA -0.045 4.444 4.480 0.016 0.000 0.214 1128 M C 1.306 177.576 176.300 -0.051 0.000 1.123 1128 M CA 0.834 56.086 55.300 -0.079 0.000 1.017 1128 M CB -0.814 31.738 32.600 -0.080 0.000 1.785 1128 M HN 0.313 nan 8.290 nan 0.000 0.499 1129 T N -3.243 111.286 114.554 -0.043 0.000 3.220 1129 T HA 0.210 4.569 4.350 0.016 0.000 0.262 1129 T C 0.369 175.060 174.700 -0.016 0.000 0.843 1129 T CA 0.200 62.285 62.100 -0.026 0.000 0.838 1129 T CB 0.246 69.101 68.868 -0.022 0.000 1.262 1129 T HN -0.022 nan 8.240 nan 0.000 0.613 1130 V N 1.113 121.018 119.914 -0.015 0.000 3.265 1130 V HA 0.416 4.546 4.120 0.016 0.000 0.346 1130 V C 2.122 178.218 176.094 0.003 0.000 1.447 1130 V CA 0.040 62.339 62.300 -0.002 0.000 1.179 1130 V CB 0.257 32.084 31.823 0.006 0.000 1.103 1130 V HN 0.402 nan 8.190 nan 0.000 0.530 1131 G N 1.577 110.371 108.800 -0.009 0.000 2.839 1131 G HA2 -0.390 3.580 3.960 0.016 0.000 0.221 1131 G HA3 -0.390 3.580 3.960 0.016 0.000 0.221 1131 G C 1.454 176.364 174.900 0.016 0.000 1.271 1131 G CA 1.958 47.056 45.100 -0.003 0.000 0.789 1131 G HN 0.435 nan 8.290 nan 0.000 0.659 1132 K N 0.338 120.744 120.400 0.010 0.000 2.052 1132 K HA -0.140 4.190 4.320 0.016 0.000 0.215 1132 K C 2.471 179.082 176.600 0.018 0.000 1.053 1132 K CA 1.994 58.289 56.287 0.013 0.000 0.934 1132 K CB -0.409 32.096 32.500 0.007 0.000 0.717 1132 K HN 0.432 nan 8.250 nan 0.000 0.450 1133 K N -0.191 120.218 120.400 0.016 0.000 2.026 1133 K HA -0.124 4.205 4.320 0.016 0.000 0.208 1133 K C 1.891 178.507 176.600 0.026 0.000 1.048 1133 K CA 1.537 57.835 56.287 0.018 0.000 0.929 1133 K CB -0.094 32.415 32.500 0.016 0.000 0.713 1133 K HN -0.026 nan 8.250 nan 0.000 0.439 1134 V N 1.664 121.600 119.914 0.036 0.000 2.220 1134 V HA -0.270 3.859 4.120 0.016 0.000 0.246 1134 V C 2.056 178.183 176.094 0.055 0.000 1.049 1134 V CA 2.034 64.366 62.300 0.053 0.000 1.003 1134 V CB -0.563 31.307 31.823 0.079 0.000 0.634 1134 V HN 0.420 nan 8.190 nan 0.000 0.444 1135 E N -0.276 119.963 120.200 0.065 0.000 2.108 1135 E HA -0.373 3.986 4.350 0.016 0.000 0.203 1135 E C 2.228 178.845 176.600 0.028 0.000 1.022 1135 E CA 2.053 58.488 56.400 0.058 0.000 0.823 1135 E CB -0.212 29.521 29.700 0.054 0.000 0.744 1135 E HN 0.711 nan 8.360 nan 0.000 0.456 1136 E N 0.494 120.707 120.200 0.021 0.000 2.070 1136 E HA -0.218 4.141 4.350 0.016 0.000 0.197 1136 E C 2.115 178.717 176.600 0.003 0.000 1.004 1136 E CA 1.199 57.605 56.400 0.010 0.000 0.805 1136 E CB -0.033 29.672 29.700 0.009 0.000 0.744 1136 E HN 0.208 nan 8.360 nan 0.000 0.451 1137 L N 0.200 121.428 121.223 0.008 0.000 2.072 1137 L HA -0.108 4.241 4.340 0.016 0.000 0.205 1137 L C 2.495 179.355 176.870 -0.017 0.000 1.079 1137 L CA 0.640 55.480 54.840 0.001 0.000 0.752 1137 L CB -0.306 41.761 42.059 0.014 0.000 0.906 1137 L HN 0.240 nan 8.230 nan 0.000 0.436 1138 I N 0.161 120.722 120.570 -0.015 0.000 2.127 1138 I HA -0.336 3.844 4.170 0.016 0.000 0.241 1138 I C 2.867 178.937 176.117 -0.078 0.000 1.075 1138 I CA 1.316 62.583 61.300 -0.054 0.000 1.334 1138 I CB -0.521 37.456 38.000 -0.038 0.000 1.040 1138 I HN 0.225 nan 8.210 nan 0.000 0.405 1139 A N 0.793 123.588 122.820 -0.043 0.000 1.873 1139 A HA -0.302 4.027 4.320 0.016 0.000 0.218 1139 A C 2.438 179.996 177.584 -0.044 0.000 1.193 1139 A CA 2.250 54.263 52.037 -0.040 0.000 0.629 1139 A CB -0.798 18.192 19.000 -0.017 0.000 0.826 1139 A HN 0.384 nan 8.150 nan 0.000 0.447 1140 R N -0.649 119.830 120.500 -0.035 0.000 2.081 1140 R HA -0.067 4.282 4.340 0.016 0.000 0.235 1140 R C 2.131 178.408 176.300 -0.038 0.000 1.131 1140 R CA 1.546 57.628 56.100 -0.030 0.000 0.960 1140 R CB -0.383 29.903 30.300 -0.023 0.000 0.856 1140 R HN 0.544 nan 8.270 nan 0.000 0.436 1141 L N 0.107 121.291 121.223 -0.065 0.000 1.994 1141 L HA -0.139 4.211 4.340 0.016 0.000 0.208 1141 L C 2.565 179.348 176.870 -0.145 0.000 1.071 1141 L CA 1.414 56.200 54.840 -0.090 0.000 0.745 1141 L CB -0.502 41.487 42.059 -0.117 0.000 0.892 1141 L HN 0.361 nan 8.230 nan 0.000 0.431 1142 A N -0.968 121.696 122.820 -0.261 0.000 2.076 1142 A HA -0.250 4.079 4.320 0.016 0.000 0.220 1142 A C 2.106 179.706 177.584 0.026 0.000 1.160 1142 A CA 1.509 53.345 52.037 -0.335 0.000 0.653 1142 A CB -0.360 18.482 19.000 -0.264 0.000 0.801 1142 A HN 0.552 nan 8.150 nan 0.000 0.455 1143 Q N -1.044 118.763 119.800 0.012 0.000 2.096 1143 Q HA -0.001 4.348 4.340 0.016 0.000 0.197 1143 Q C 1.020 177.058 176.000 0.064 0.000 0.964 1143 Q CA 1.329 57.155 55.803 0.039 0.000 0.838 1143 Q CB 0.050 28.791 28.738 0.006 0.000 0.906 1143 Q HN 0.615 nan 8.270 nan 0.000 0.444 1144 K N -1.321 119.126 120.400 0.079 0.000 2.533 1144 K HA 0.318 4.647 4.320 0.016 0.000 0.202 1144 K C 0.913 177.642 176.600 0.216 0.000 1.096 1144 K CA 0.197 56.557 56.287 0.122 0.000 1.056 1144 K CB 1.186 33.724 32.500 0.064 0.000 0.890 1144 K HN -0.008 nan 8.250 nan 0.000 0.552 1145 A N 1.591 124.500 122.820 0.148 0.000 2.014 1145 A HA -0.106 4.223 4.320 0.016 0.000 0.218 1145 A C 2.076 179.622 177.584 -0.064 0.000 1.163 1145 A CA 0.932 53.004 52.037 0.058 0.000 0.652 1145 A CB -0.286 18.751 19.000 0.061 0.000 0.808 1145 A HN 0.268 nan 8.150 nan 0.000 0.449 1146 R N 0.161 120.625 120.500 -0.060 0.000 2.148 1146 R HA -0.219 4.131 4.340 0.016 0.000 0.230 1146 R C 2.213 178.490 176.300 -0.039 0.000 1.120 1146 R CA 2.152 58.149 56.100 -0.172 0.000 0.902 1146 R CB -0.665 29.593 30.300 -0.070 0.000 0.839 1146 R HN 0.371 nan 8.270 nan 0.000 0.431 1147 A N 0.219 123.084 122.820 0.075 0.000 2.042 1147 A HA -0.147 4.183 4.320 0.016 0.000 0.222 1147 A C 2.156 179.680 177.584 -0.101 0.000 1.167 1147 A CA 1.900 53.992 52.037 0.092 0.000 0.649 1147 A CB -0.720 18.438 19.000 0.264 0.000 0.809 1147 A HN 0.649 nan 8.150 nan 0.000 0.457 1148 A N -1.855 120.790 122.820 -0.291 0.000 2.251 1148 A HA 0.426 4.755 4.320 0.016 0.000 0.209 1148 A C 1.731 179.158 177.584 -0.262 0.000 1.187 1148 A CA 1.086 52.821 52.037 -0.504 0.000 0.823 1148 A CB -0.969 17.589 19.000 -0.737 0.000 0.846 1148 A HN 1.922 nan 8.150 nan 0.000 0.486 1149 G N -0.660 108.092 108.800 -0.081 0.000 2.160 1149 G HA2 -0.223 3.747 3.960 0.016 0.000 0.251 1149 G HA3 -0.223 3.747 3.960 0.016 0.000 0.251 1149 G C -0.028 174.996 174.900 0.207 0.000 1.008 1149 G CA 0.449 45.655 45.100 0.177 0.000 0.724 1149 G HN 0.519 nan 8.290 nan 0.000 0.514 1150 I N 0.677 121.199 120.570 -0.080 0.000 2.389 1150 I HA 0.498 4.677 4.170 0.016 0.000 0.288 1150 I C -0.149 175.887 176.117 -0.135 0.000 0.999 1150 I CA -0.955 60.349 61.300 0.008 0.000 1.129 1150 I CB 1.470 39.461 38.000 -0.014 0.000 1.288 1150 I HN 0.093 nan 8.210 nan 0.000 0.444 1151 H N 5.308 124.488 119.070 0.185 0.000 2.600 1151 H HA 0.555 5.120 4.556 0.016 0.000 0.357 1151 H C -1.096 174.389 175.328 0.262 0.000 1.106 1151 H CA -0.689 55.511 56.048 0.252 0.000 1.193 1151 H CB 2.036 31.840 29.762 0.071 0.000 1.594 1151 H HN 0.319 nan 8.280 nan 0.000 0.526 1152 L N 2.697 124.239 121.223 0.531 0.000 2.309 1152 L HA 0.501 4.850 4.340 0.016 0.000 0.282 1152 L C -0.759 176.208 176.870 0.161 0.000 1.036 1152 L CA -0.487 54.474 54.840 0.200 0.000 0.806 1152 L CB 1.599 43.627 42.059 -0.052 0.000 1.220 1152 L HN 0.488 nan 8.230 nan 0.000 0.429 1153 V N 5.553 125.514 119.914 0.078 0.000 2.447 1153 V HA 0.427 4.557 4.120 0.016 0.000 0.292 1153 V C -0.472 175.608 176.094 -0.023 0.000 1.021 1153 V CA -0.550 61.777 62.300 0.044 0.000 0.850 1153 V CB 1.639 33.500 31.823 0.063 0.000 1.005 1153 V HN 0.459 nan 8.190 nan 0.000 0.426 1154 L N 4.724 125.888 121.223 -0.099 0.000 2.298 1154 L HA 0.851 5.201 4.340 0.016 0.000 0.284 1154 L C 0.304 177.119 176.870 -0.092 0.000 1.013 1154 L CA -0.436 54.272 54.840 -0.219 0.000 0.824 1154 L CB 1.668 43.340 42.059 -0.645 0.000 1.221 1154 L HN 0.689 nan 8.230 nan 0.000 0.418 1155 A N 2.411 125.255 122.820 0.040 0.000 2.324 1155 A HA 0.860 5.190 4.320 0.016 0.000 0.330 1155 A C -0.300 177.418 177.584 0.222 0.000 1.165 1155 A CA -0.427 51.677 52.037 0.112 0.000 0.813 1155 A CB 1.853 20.899 19.000 0.077 0.000 1.197 1155 A HN 0.574 nan 8.150 nan 0.000 0.484 1156 T N 0.078 114.759 114.554 0.211 0.000 2.840 1156 T HA 0.469 4.828 4.350 0.016 0.000 0.317 1156 T C -0.604 174.172 174.700 0.127 0.000 1.401 1156 T CA -0.302 61.922 62.100 0.206 0.000 1.028 1156 T CB 1.476 70.527 68.868 0.306 0.000 1.317 1156 T HN 0.622 nan 8.240 nan 0.000 0.495 1157 Q N 1.057 120.906 119.800 0.080 0.000 2.118 1157 Q HA 0.306 4.656 4.340 0.016 0.000 0.219 1157 Q C 0.137 176.163 176.000 0.044 0.000 0.794 1157 Q CA -0.074 55.764 55.803 0.059 0.000 1.035 1157 Q CB 0.927 29.684 28.738 0.032 0.000 1.177 1157 Q HN 0.328 nan 8.270 nan 0.000 0.478 1158 R N 1.443 121.967 120.500 0.038 0.000 2.868 1158 R HA 0.263 4.612 4.340 0.016 0.000 0.289 1158 R C -2.684 173.630 176.300 0.023 0.000 1.443 1158 R CA -1.587 54.522 56.100 0.014 0.000 1.651 1158 R CB 0.955 31.243 30.300 -0.020 0.000 1.242 1158 R HN -0.058 nan 8.270 nan 0.000 0.621 1159 P HA -0.003 nan 4.420 nan 0.000 0.271 1159 P C -0.662 176.661 177.300 0.040 0.000 1.380 1159 P CA 0.296 63.434 63.100 0.064 0.000 0.992 1159 P CB 0.774 32.520 31.700 0.075 0.000 1.230 1160 S N 0.684 116.400 115.700 0.027 0.000 2.570 1160 S HA 0.284 4.764 4.470 0.016 0.000 0.286 1160 S C 0.802 175.412 174.600 0.018 0.000 1.099 1160 S CA -0.770 57.438 58.200 0.014 0.000 0.913 1160 S CB 1.162 64.359 63.200 -0.006 0.000 1.085 1160 S HN -0.014 nan 8.310 nan 0.000 0.480 1161 V N 1.341 121.265 119.914 0.016 0.000 2.982 1161 V HA -0.107 4.022 4.120 0.016 0.000 0.265 1161 V C 1.253 177.355 176.094 0.013 0.000 1.122 1161 V CA 1.878 64.190 62.300 0.020 0.000 1.143 1161 V CB -1.037 30.795 31.823 0.015 0.000 0.726 1161 V HN 0.821 nan 8.190 nan 0.000 0.507 1162 D N -0.562 119.835 120.400 -0.005 0.000 2.305 1162 D HA 0.002 4.651 4.640 0.016 0.000 0.206 1162 D C 1.945 178.216 176.300 -0.049 0.000 0.974 1162 D CA 0.732 54.718 54.000 -0.023 0.000 0.871 1162 D CB 0.376 41.156 40.800 -0.034 0.000 0.947 1162 D HN 0.389 nan 8.370 nan 0.000 0.516 1163 V N 0.787 120.667 119.914 -0.057 0.000 2.484 1163 V HA 0.022 4.152 4.120 0.016 0.000 0.236 1163 V C 1.044 177.190 176.094 0.086 0.000 1.062 1163 V CA 0.355 62.569 62.300 -0.143 0.000 1.081 1163 V CB 0.292 31.991 31.823 -0.207 0.000 0.751 1163 V HN 0.064 nan 8.190 nan 0.000 0.484 1164 I N 3.609 124.268 120.570 0.148 0.000 2.268 1164 I HA 0.147 4.326 4.170 0.016 0.000 0.298 1164 I C 1.013 177.201 176.117 0.117 0.000 1.185 1164 I CA 0.299 61.720 61.300 0.202 0.000 1.548 1164 I CB -1.410 36.678 38.000 0.146 0.000 1.492 1164 I HN 0.428 nan 8.210 nan 0.000 0.711 1165 T N 0.387 115.013 114.554 0.119 0.000 2.732 1165 T HA 0.361 4.720 4.350 0.016 0.000 0.287 1165 T C 1.568 176.302 174.700 0.057 0.000 0.993 1165 T CA 0.021 62.163 62.100 0.071 0.000 0.966 1165 T CB 1.293 70.200 68.868 0.064 0.000 1.047 1165 T HN 0.476 nan 8.240 nan 0.000 0.527 1166 G N -0.320 108.503 108.800 0.038 0.000 2.433 1166 G HA2 -0.065 3.904 3.960 0.016 0.000 0.216 1166 G HA3 -0.065 3.904 3.960 0.016 0.000 0.216 1166 G C 1.518 176.433 174.900 0.026 0.000 1.186 1166 G CA 0.540 45.656 45.100 0.027 0.000 0.779 1166 G HN 0.666 nan 8.290 nan 0.000 0.543 1167 L N 0.413 121.652 121.223 0.027 0.000 2.012 1167 L HA -0.119 4.231 4.340 0.016 0.000 0.210 1167 L C 2.925 179.809 176.870 0.023 0.000 1.073 1167 L CA 0.790 55.643 54.840 0.022 0.000 0.748 1167 L CB -0.463 41.609 42.059 0.023 0.000 0.891 1167 L HN 0.154 nan 8.230 nan 0.000 0.431 1168 I N 0.297 120.894 120.570 0.045 0.000 2.163 1168 I HA -0.307 3.872 4.170 0.016 0.000 0.243 1168 I C 2.493 178.616 176.117 0.011 0.000 1.085 1168 I CA 1.684 63.007 61.300 0.038 0.000 1.347 1168 I CB -0.972 37.095 38.000 0.112 0.000 1.044 1168 I HN 0.329 nan 8.210 nan 0.000 0.408 1169 K N 0.814 121.230 120.400 0.025 0.000 2.097 1169 K HA -0.076 4.253 4.320 0.016 0.000 0.206 1169 K C 2.115 178.717 176.600 0.003 0.000 1.049 1169 K CA 1.442 57.736 56.287 0.012 0.000 0.933 1169 K CB -0.199 32.312 32.500 0.018 0.000 0.717 1169 K HN 0.287 nan 8.250 nan 0.000 0.442 1170 A N 1.390 124.214 122.820 0.006 0.000 2.066 1170 A HA -0.111 4.219 4.320 0.016 0.000 0.218 1170 A C 1.369 178.955 177.584 0.003 0.000 1.157 1170 A CA 1.411 53.450 52.037 0.004 0.000 0.670 1170 A CB -0.290 18.713 19.000 0.005 0.000 0.804 1170 A HN 0.292 nan 8.150 nan 0.000 0.453 1171 N N -1.518 117.181 118.700 -0.002 0.000 2.282 1171 N HA 0.216 4.966 4.740 0.016 0.000 0.185 1171 N C -0.651 174.865 175.510 0.011 0.000 1.099 1171 N CA 0.159 53.207 53.050 -0.003 0.000 0.878 1171 N CB 0.616 39.087 38.487 -0.028 0.000 0.993 1171 N HN 0.284 nan 8.380 nan 0.000 0.481 1172 I N 2.149 122.720 120.570 0.001 0.000 2.412 1172 I HA 0.219 4.399 4.170 0.016 0.000 0.279 1172 I C -1.560 174.563 176.117 0.010 0.000 1.063 1172 I CA -2.305 59.007 61.300 0.019 0.000 1.193 1172 I CB 1.526 39.510 38.000 -0.028 0.000 1.370 1172 I HN -0.063 nan 8.210 nan 0.000 0.479 1173 P HA -0.078 nan 4.420 nan 0.000 0.216 1173 P C 0.372 177.638 177.300 -0.057 0.000 1.153 1173 P CA 1.102 64.194 63.100 -0.013 0.000 0.848 1173 P CB 0.045 31.745 31.700 -0.001 0.000 0.787 1174 T N 2.284 116.804 114.554 -0.057 0.000 2.806 1174 T HA 0.394 4.753 4.350 0.016 0.000 0.290 1174 T C 0.279 174.908 174.700 -0.118 0.000 0.966 1174 T CA -0.333 61.686 62.100 -0.137 0.000 1.060 1174 T CB 0.853 69.663 68.868 -0.097 0.000 0.927 1174 T HN 0.060 nan 8.240 nan 0.000 0.485 1175 R N 2.487 122.872 120.500 -0.193 0.000 2.673 1175 R HA 0.633 4.983 4.340 0.016 0.000 0.281 1175 R C -1.091 175.132 176.300 -0.127 0.000 0.991 1175 R CA -0.824 55.208 56.100 -0.113 0.000 0.896 1175 R CB 2.201 32.452 30.300 -0.082 0.000 1.201 1175 R HN 0.508 nan 8.270 nan 0.000 0.457 1176 I N 1.509 122.061 120.570 -0.030 0.000 2.436 1176 I HA 0.442 4.621 4.170 0.016 0.000 0.289 1176 I C -0.472 175.619 176.117 -0.044 0.000 1.010 1176 I CA -0.803 60.474 61.300 -0.038 0.000 1.098 1176 I CB 2.146 40.156 38.000 0.017 0.000 1.266 1176 I HN 0.668 nan 8.210 nan 0.000 0.434 1177 A N 6.911 129.662 122.820 -0.115 0.000 2.267 1177 A HA 0.717 5.047 4.320 0.016 0.000 0.315 1177 A C -0.859 176.646 177.584 -0.132 0.000 1.297 1177 A CA -0.304 51.706 52.037 -0.045 0.000 0.865 1177 A CB 0.248 19.239 19.000 -0.015 0.000 1.165 1177 A HN 0.534 nan 8.150 nan 0.000 0.513 1178 F N 0.790 120.772 119.950 0.053 0.000 2.362 1178 F HA 0.343 4.883 4.527 0.023 0.000 0.311 1178 F C 1.539 177.367 175.800 0.047 0.000 1.161 1178 F CA 0.123 58.156 58.000 0.054 0.000 1.085 1178 F CB 0.755 39.788 39.000 0.054 0.000 1.311 1178 F HN 0.503 nan 8.300 nan 0.000 0.524 1179 T N 2.361 117.061 114.554 0.243 0.000 2.819 1179 T HA 0.310 4.670 4.350 0.016 0.000 0.282 1179 T C -0.136 174.638 174.700 0.123 0.000 1.013 1179 T CA -0.196 61.990 62.100 0.144 0.000 1.159 1179 T CB -0.406 68.536 68.868 0.124 0.000 1.007 1179 T HN 0.468 nan 8.240 nan 0.000 0.514 1180 V N 0.754 120.720 119.914 0.087 0.000 3.103 1180 V HA 0.666 4.796 4.120 0.016 0.000 0.318 1180 V C 1.035 177.161 176.094 0.053 0.000 1.114 1180 V CA -0.468 61.875 62.300 0.071 0.000 1.020 1180 V CB 1.807 33.668 31.823 0.064 0.000 1.085 1180 V HN 0.803 nan 8.190 nan 0.000 0.446 1181 S N -0.127 115.600 115.700 0.044 0.000 2.501 1181 S HA 0.197 4.676 4.470 0.016 0.000 0.220 1181 S C 0.805 175.422 174.600 0.029 0.000 0.997 1181 S CA 0.448 58.669 58.200 0.034 0.000 0.919 1181 S CB -0.481 62.737 63.200 0.029 0.000 0.778 1181 S HN 1.687 nan 8.310 nan 0.000 0.523 1182 S N -0.335 115.383 115.700 0.029 0.000 2.607 1182 S HA 0.521 5.000 4.470 0.016 0.000 0.273 1182 S C 0.034 174.649 174.600 0.024 0.000 1.148 1182 S CA -1.041 57.173 58.200 0.024 0.000 0.833 1182 S CB 1.555 64.768 63.200 0.021 0.000 1.130 1182 S HN 0.022 nan 8.310 nan 0.000 0.470 1183 K N 0.204 120.615 120.400 0.020 0.000 2.103 1183 K HA -0.038 4.291 4.320 0.016 0.000 0.207 1183 K C 1.673 178.284 176.600 0.018 0.000 1.048 1183 K CA 1.437 57.734 56.287 0.017 0.000 0.930 1183 K CB -0.439 32.069 32.500 0.014 0.000 0.716 1183 K HN 0.517 nan 8.250 nan 0.000 0.444 1184 I N 2.250 122.830 120.570 0.018 0.000 2.118 1184 I HA -0.312 3.868 4.170 0.016 0.000 0.241 1184 I C 1.905 178.035 176.117 0.022 0.000 1.070 1184 I CA 1.711 63.022 61.300 0.018 0.000 1.327 1184 I CB -1.025 36.985 38.000 0.017 0.000 1.034 1184 I HN 0.262 nan 8.210 nan 0.000 0.405 1185 D N 0.202 120.617 120.400 0.026 0.000 2.104 1185 D HA -0.187 4.463 4.640 0.016 0.000 0.194 1185 D C 2.281 178.602 176.300 0.035 0.000 0.994 1185 D CA 1.796 55.816 54.000 0.033 0.000 0.830 1185 D CB 0.002 40.825 40.800 0.038 0.000 0.959 1185 D HN 0.248 nan 8.370 nan 0.000 0.452 1186 S N 0.251 115.969 115.700 0.030 0.000 2.356 1186 S HA -0.156 4.323 4.470 0.016 0.000 0.223 1186 S C 1.972 176.583 174.600 0.019 0.000 1.032 1186 S CA 0.993 59.208 58.200 0.026 0.000 1.005 1186 S CB 0.064 63.276 63.200 0.021 0.000 0.867 1186 S HN 0.133 nan 8.310 nan 0.000 0.449 1187 R N -0.096 120.414 120.500 0.017 0.000 2.096 1187 R HA -0.032 4.318 4.340 0.016 0.000 0.235 1187 R C 2.442 178.752 176.300 0.016 0.000 1.127 1187 R CA 1.825 57.932 56.100 0.012 0.000 0.968 1187 R CB -0.676 29.630 30.300 0.011 0.000 0.861 1187 R HN 0.416 nan 8.270 nan 0.000 0.440 1188 T N 1.151 115.719 114.554 0.023 0.000 2.746 1188 T HA -0.092 4.267 4.350 0.016 0.000 0.267 1188 T C 1.723 176.443 174.700 0.033 0.000 1.039 1188 T CA 1.023 63.141 62.100 0.030 0.000 1.142 1188 T CB -0.014 68.877 68.868 0.037 0.000 0.866 1188 T HN 0.055 nan 8.240 nan 0.000 0.444 1189 I N 0.682 121.272 120.570 0.034 0.000 2.206 1189 I HA 0.064 4.244 4.170 0.016 0.000 0.239 1189 I C 2.001 178.122 176.117 0.007 0.000 1.078 1189 I CA 1.430 62.749 61.300 0.032 0.000 1.367 1189 I CB -1.088 36.935 38.000 0.039 0.000 1.078 1189 I HN 0.246 nan 8.210 nan 0.000 0.413 1190 L N -0.140 121.082 121.223 -0.001 0.000 2.693 1190 L HA 0.191 4.541 4.340 0.016 0.000 0.235 1190 L C -0.082 176.779 176.870 -0.016 0.000 1.127 1190 L CA 0.039 54.868 54.840 -0.019 0.000 0.914 1190 L CB -0.082 41.962 42.059 -0.025 0.000 1.193 1190 L HN 0.234 nan 8.230 nan 0.000 0.502 1191 D N 1.537 121.935 120.400 -0.004 0.000 2.772 1191 D HA -0.243 4.407 4.640 0.016 0.000 0.233 1191 D C 0.242 176.539 176.300 -0.005 0.000 1.143 1191 D CA 0.975 54.974 54.000 -0.003 0.000 0.700 1191 D CB -0.501 40.295 40.800 -0.007 0.000 1.076 1191 D HN 0.574 nan 8.370 nan 0.000 0.430 1192 Q N -1.196 118.602 119.800 -0.003 0.000 2.646 1192 Q HA 0.485 4.835 4.340 0.016 0.000 0.260 1192 Q C -1.477 174.523 176.000 0.000 0.000 0.975 1192 Q CA -0.274 55.528 55.803 -0.003 0.000 0.936 1192 Q CB 1.264 29.996 28.738 -0.009 0.000 1.591 1192 Q HN 0.066 nan 8.270 nan 0.000 0.412 1193 A N 1.087 123.909 122.820 0.003 0.000 2.325 1193 A HA 0.753 5.083 4.320 0.016 0.000 0.260 1193 A C 1.071 178.659 177.584 0.006 0.000 1.133 1193 A CA 1.132 53.173 52.037 0.007 0.000 0.801 1193 A CB -0.178 18.827 19.000 0.007 0.000 1.092 1193 A HN 1.728 nan 8.150 nan 0.000 0.504 1194 G N -2.281 106.525 108.800 0.010 0.000 2.697 1194 G HA2 0.099 4.069 3.960 0.016 0.000 0.200 1194 G HA3 0.099 4.069 3.960 0.016 0.000 0.200 1194 G C 1.332 176.242 174.900 0.016 0.000 1.106 1194 G CA 0.874 45.980 45.100 0.011 0.000 0.748 1194 G HN 1.851 nan 8.290 nan 0.000 0.503 1195 A N 1.103 123.932 122.820 0.016 0.000 2.172 1195 A HA 0.290 4.620 4.320 0.016 0.000 0.216 1195 A C 1.758 179.365 177.584 0.038 0.000 1.154 1195 A CA 2.222 54.273 52.037 0.024 0.000 0.701 1195 A CB -0.421 18.594 19.000 0.025 0.000 0.789 1195 A HN 0.866 nan 8.150 nan 0.000 0.465 1196 E N -0.437 119.782 120.200 0.033 0.000 2.476 1196 E HA 0.163 4.523 4.350 0.016 0.000 0.191 1196 E C 0.815 177.435 176.600 0.032 0.000 1.064 1196 E CA 0.741 57.161 56.400 0.034 0.000 0.866 1196 E CB -0.209 29.508 29.700 0.028 0.000 0.952 1196 E HN 0.243 nan 8.360 nan 0.000 0.492 1197 S N -0.034 115.685 115.700 0.033 0.000 2.650 1197 S HA 0.307 4.786 4.470 0.016 0.000 0.240 1197 S C 0.324 174.949 174.600 0.042 0.000 1.007 1197 S CA -0.484 57.736 58.200 0.032 0.000 0.984 1197 S CB 0.140 63.356 63.200 0.027 0.000 0.910 1197 S HN 0.166 nan 8.310 nan 0.000 0.509 1198 L N 0.950 122.203 121.223 0.050 0.000 2.468 1198 L HA 0.382 4.732 4.340 0.016 0.000 0.254 1198 L C 0.622 177.530 176.870 0.063 0.000 1.171 1198 L CA -0.297 54.582 54.840 0.066 0.000 0.809 1198 L CB 0.398 42.502 42.059 0.076 0.000 1.155 1198 L HN 0.169 nan 8.230 nan 0.000 0.473 1199 L N 1.045 122.310 121.223 0.070 0.000 2.928 1199 L HA 0.294 4.643 4.340 0.016 0.000 0.246 1199 L C 0.925 177.827 176.870 0.053 0.000 1.239 1199 L CA -0.188 54.680 54.840 0.047 0.000 1.035 1199 L CB -0.620 41.453 42.059 0.024 0.000 1.360 1199 L HN 0.933 nan 8.230 nan 0.000 0.529 1200 G N 0.530 109.380 108.800 0.083 0.000 2.682 1200 G HA2 -0.360 3.610 3.960 0.016 0.000 0.256 1200 G HA3 -0.360 3.610 3.960 0.016 0.000 0.256 1200 G C 0.333 175.291 174.900 0.098 0.000 1.333 1200 G CA -0.106 45.050 45.100 0.093 0.000 0.904 1200 G HN 0.383 nan 8.290 nan 0.000 0.569 1201 M N -0.569 119.079 119.600 0.080 0.000 2.303 1201 M HA -0.175 4.314 4.480 0.016 0.000 0.189 1201 M C 1.731 178.107 176.300 0.127 0.000 0.688 1201 M CA 1.744 57.083 55.300 0.065 0.000 0.479 1201 M CB -1.839 30.759 32.600 -0.003 0.000 1.094 1201 M HN 2.891 nan 8.290 nan 0.000 0.907 1202 G N -1.057 107.882 108.800 0.231 0.000 2.241 1202 G HA2 -0.253 3.716 3.960 0.016 0.000 0.244 1202 G HA3 -0.253 3.716 3.960 0.016 0.000 0.244 1202 G C -0.088 175.046 174.900 0.389 0.000 0.998 1202 G CA 0.239 45.563 45.100 0.374 0.000 0.621 1202 G HN 0.628 nan 8.290 nan 0.000 0.519 1203 D N 1.599 122.167 120.400 0.279 0.000 2.493 1203 D HA 0.491 5.140 4.640 0.016 0.000 0.240 1203 D C 0.934 177.293 176.300 0.098 0.000 1.142 1203 D CA 0.992 55.130 54.000 0.229 0.000 0.872 1203 D CB 0.119 41.036 40.800 0.194 0.000 1.173 1203 D HN 0.788 nan 8.370 nan 0.000 0.467 1204 M N 1.398 120.959 119.600 -0.065 0.000 2.683 1204 M HA 0.510 5.000 4.480 0.016 0.000 0.274 1204 M C -1.812 174.380 176.300 -0.180 0.000 1.272 1204 M CA -1.020 54.112 55.300 -0.281 0.000 0.833 1204 M CB 1.773 33.931 32.600 -0.736 0.000 1.708 1204 M HN 0.092 nan 8.290 nan 0.000 0.463 1205 L N 2.235 123.354 121.223 -0.173 0.000 2.372 1205 L HA 0.509 4.859 4.340 0.016 0.000 0.273 1205 L C -1.717 175.127 176.870 -0.044 0.000 0.989 1205 L CA -0.706 54.087 54.840 -0.079 0.000 0.841 1205 L CB 1.761 43.789 42.059 -0.053 0.000 1.225 1205 L HN 0.732 nan 8.230 nan 0.000 0.414 1206 Y N 2.751 122.968 120.300 -0.138 0.000 2.308 1206 Y HA 0.397 4.956 4.550 0.015 0.000 0.329 1206 Y C 0.049 175.906 175.900 -0.071 0.000 1.111 1206 Y CA -0.020 58.014 58.100 -0.110 0.000 1.179 1206 Y CB 1.756 40.155 38.460 -0.101 0.000 1.201 1206 Y HN 0.458 nan 8.280 nan 0.000 0.483 1207 S N 4.934 120.317 115.700 -0.528 0.000 2.652 1207 S HA 0.544 5.024 4.470 0.016 0.000 0.252 1207 S C -0.167 174.114 174.600 -0.531 0.000 1.219 1207 S CA -0.305 57.656 58.200 -0.398 0.000 1.151 1207 S CB -0.333 62.745 63.200 -0.203 0.000 1.080 1207 S HN 1.143 nan 8.310 nan 0.000 0.481 1208 G N 3.772 112.265 108.800 -0.511 0.000 2.580 1208 G HA2 0.438 4.408 3.960 0.016 0.000 0.278 1208 G HA3 0.438 4.408 3.960 0.016 0.000 0.278 1208 G C -1.307 173.500 174.900 -0.155 0.000 1.212 1208 G CA -1.193 43.704 45.100 -0.340 0.000 0.939 1208 G HN 0.503 nan 8.290 nan 0.000 0.513 1209 P HA -0.046 nan 4.420 nan 0.000 0.224 1209 P C 0.467 177.748 177.300 -0.032 0.000 1.157 1209 P CA 0.749 63.818 63.100 -0.051 0.000 0.799 1209 P CB 0.321 32.003 31.700 -0.030 0.000 0.809 1210 N N -0.034 118.653 118.700 -0.022 0.000 2.575 1210 N HA 0.226 4.976 4.740 0.016 0.000 0.275 1210 N C -0.418 175.087 175.510 -0.008 0.000 1.202 1210 N CA -0.146 52.898 53.050 -0.009 0.000 0.945 1210 N CB 0.149 38.639 38.487 0.004 0.000 1.247 1210 N HN -0.012 nan 8.380 nan 0.000 0.510 1211 S N -1.111 114.577 115.700 -0.019 0.000 2.715 1211 S HA 0.029 4.508 4.470 0.016 0.000 0.290 1211 S C 0.450 175.034 174.600 -0.028 0.000 1.008 1211 S CA -0.694 57.496 58.200 -0.017 0.000 0.850 1211 S CB 0.370 63.567 63.200 -0.006 0.000 1.059 1211 S HN 0.260 nan 8.310 nan 0.000 0.455 1212 T N 1.553 116.095 114.554 -0.021 0.000 3.081 1212 T HA 0.357 4.717 4.350 0.016 0.000 0.250 1212 T C 0.602 175.289 174.700 -0.022 0.000 1.100 1212 T CA 0.082 62.167 62.100 -0.024 0.000 1.038 1212 T CB -0.424 68.434 68.868 -0.017 0.000 0.962 1212 T HN 0.444 nan 8.240 nan 0.000 0.516 1213 L N 3.724 124.938 121.223 -0.016 0.000 2.265 1213 L HA 0.436 4.785 4.340 0.016 0.000 0.288 1213 L C -2.043 174.820 176.870 -0.011 0.000 1.058 1213 L CA -2.281 52.553 54.840 -0.011 0.000 0.809 1213 L CB 0.778 42.835 42.059 -0.004 0.000 1.179 1213 L HN 0.050 nan 8.230 nan 0.000 0.429 1214 P HA 0.224 nan 4.420 nan 0.000 0.274 1214 P C -0.901 176.406 177.300 0.011 0.000 1.246 1214 P CA -0.354 62.738 63.100 -0.013 0.000 0.795 1214 P CB 1.856 33.541 31.700 -0.024 0.000 1.006 1215 V N 1.839 121.776 119.914 0.040 0.000 2.588 1215 V HA 0.363 4.493 4.120 0.016 0.000 0.304 1215 V C 0.594 176.683 176.094 -0.008 0.000 1.042 1215 V CA -0.845 61.473 62.300 0.029 0.000 0.877 1215 V CB 1.664 33.528 31.823 0.068 0.000 0.996 1215 V HN 0.538 nan 8.190 nan 0.000 0.425 1216 R N 3.163 123.629 120.500 -0.056 0.000 2.340 1216 R HA 0.678 5.027 4.340 0.016 0.000 0.300 1216 R C -1.368 174.791 176.300 -0.236 0.000 1.069 1216 R CA -0.106 55.923 56.100 -0.119 0.000 0.984 1216 R CB 1.126 31.367 30.300 -0.099 0.000 1.003 1216 R HN 0.554 nan 8.270 nan 0.000 0.459 1217 V N 4.589 124.337 119.914 -0.278 0.000 2.686 1217 V HA 0.243 4.372 4.120 0.016 0.000 0.306 1217 V C -0.886 175.021 176.094 -0.311 0.000 1.065 1217 V CA -0.998 61.102 62.300 -0.333 0.000 0.894 1217 V CB 1.897 33.598 31.823 -0.202 0.000 1.004 1217 V HN 0.809 nan 8.190 nan 0.000 0.424 1218 H N 2.919 121.984 119.070 -0.009 0.000 2.761 1218 H HA 0.379 4.944 4.556 0.015 0.000 0.284 1218 H C 0.753 176.104 175.328 0.039 0.000 1.105 1218 H CA -0.146 55.913 56.048 0.018 0.000 1.352 1218 H CB 1.234 31.003 29.762 0.011 0.000 1.423 1218 H HN 0.865 nan 8.280 nan 0.000 0.464 1219 G N 2.008 110.916 108.800 0.180 0.000 2.391 1219 G HA2 0.219 4.189 3.960 0.016 0.000 0.234 1219 G HA3 0.219 4.189 3.960 0.016 0.000 0.234 1219 G C 0.398 175.393 174.900 0.157 0.000 1.284 1219 G CA -0.057 45.157 45.100 0.189 0.000 0.873 1219 G HN 0.796 nan 8.290 nan 0.000 0.549 1220 A N 1.551 124.435 122.820 0.107 0.000 2.466 1220 A HA 0.507 4.836 4.320 0.016 0.000 0.238 1220 A C -0.403 177.252 177.584 0.118 0.000 1.074 1220 A CA -0.153 51.932 52.037 0.081 0.000 0.774 1220 A CB 0.360 19.375 19.000 0.025 0.000 1.015 1220 A HN 0.908 nan 8.150 nan 0.000 0.498 1221 F N 2.113 122.019 119.950 -0.073 0.000 2.443 1221 F HA 0.560 5.083 4.527 -0.007 0.000 0.335 1221 F C -0.313 175.460 175.800 -0.045 0.000 1.104 1221 F CA -0.757 57.193 58.000 -0.084 0.000 1.013 1221 F CB 1.769 40.661 39.000 -0.179 0.000 1.136 1221 F HN 0.481 nan 8.300 nan 0.000 0.470 1222 V N 7.406 126.767 119.914 -0.922 0.000 2.577 1222 V HA 0.556 4.685 4.120 0.016 0.000 0.303 1222 V C -0.683 174.861 176.094 -0.916 0.000 1.042 1222 V CA -0.759 61.132 62.300 -0.681 0.000 0.872 1222 V CB 1.601 33.248 31.823 -0.292 0.000 0.998 1222 V HN 0.882 nan 8.190 nan 0.000 0.423 1223 R N 4.053 124.203 120.500 -0.583 0.000 2.643 1223 R HA 0.189 4.539 4.340 0.016 0.000 0.270 1223 R C 0.491 176.701 176.300 -0.150 0.000 1.061 1223 R CA -0.268 55.653 56.100 -0.298 0.000 1.107 1223 R CB 0.511 30.787 30.300 -0.041 0.000 0.999 1223 R HN 0.765 nan 8.270 nan 0.000 0.460 1224 D N 1.340 121.702 120.400 -0.062 0.000 2.182 1224 D HA -0.176 4.474 4.640 0.016 0.000 0.201 1224 D C 1.710 178.105 176.300 0.158 0.000 0.986 1224 D CA 1.419 55.431 54.000 0.021 0.000 0.847 1224 D CB 0.179 41.018 40.800 0.066 0.000 0.942 1224 D HN 0.427 nan 8.370 nan 0.000 0.467 1225 Q N 0.873 120.732 119.800 0.098 0.000 2.167 1225 Q HA -0.103 4.247 4.340 0.016 0.000 0.202 1225 Q C 1.646 177.702 176.000 0.094 0.000 0.970 1225 Q CA 1.323 57.181 55.803 0.092 0.000 0.855 1225 Q CB -0.041 28.706 28.738 0.015 0.000 0.911 1225 Q HN 0.359 nan 8.270 nan 0.000 0.438 1226 E N -1.022 119.204 120.200 0.044 0.000 2.106 1226 E HA -0.120 4.240 4.350 0.016 0.000 0.192 1226 E C 1.948 178.572 176.600 0.040 0.000 0.984 1226 E CA 1.201 57.626 56.400 0.042 0.000 0.806 1226 E CB 0.040 29.748 29.700 0.014 0.000 0.750 1226 E HN 0.165 nan 8.360 nan 0.000 0.458 1227 V N 1.091 120.998 119.914 -0.011 0.000 2.287 1227 V HA -0.287 3.843 4.120 0.016 0.000 0.248 1227 V C 1.886 177.892 176.094 -0.147 0.000 1.053 1227 V CA 2.213 64.447 62.300 -0.109 0.000 1.027 1227 V CB -0.653 31.022 31.823 -0.246 0.000 0.646 1227 V HN 0.279 nan 8.190 nan 0.000 0.447 1228 H N 0.150 119.152 119.070 -0.113 0.000 2.353 1228 H HA -0.041 4.525 4.556 0.015 0.000 0.300 1228 H C 2.270 177.571 175.328 -0.045 0.000 1.090 1228 H CA 1.756 57.747 56.048 -0.096 0.000 1.327 1228 H CB -0.499 29.220 29.762 -0.073 0.000 1.383 1228 H HN 0.436 nan 8.280 nan 0.000 0.508 1229 A N 0.333 123.221 122.820 0.113 0.000 1.865 1229 A HA -0.187 4.143 4.320 0.016 0.000 0.217 1229 A C 2.599 180.217 177.584 0.055 0.000 1.191 1229 A CA 2.021 54.099 52.037 0.069 0.000 0.623 1229 A CB -1.012 18.025 19.000 0.063 0.000 0.826 1229 A HN 0.256 nan 8.150 nan 0.000 0.444 1230 V N -0.496 119.458 119.914 0.068 0.000 2.407 1230 V HA -0.218 3.911 4.120 0.016 0.000 0.248 1230 V C 2.549 178.721 176.094 0.129 0.000 1.055 1230 V CA 1.927 64.278 62.300 0.086 0.000 1.049 1230 V CB -0.629 31.280 31.823 0.144 0.000 0.662 1230 V HN 0.376 nan 8.190 nan 0.000 0.455 1231 V N -0.821 119.133 119.914 0.067 0.000 2.427 1231 V HA -0.216 3.914 4.120 0.016 0.000 0.248 1231 V C 2.565 178.727 176.094 0.113 0.000 1.051 1231 V CA 1.597 63.945 62.300 0.081 0.000 1.048 1231 V CB -0.523 31.241 31.823 -0.099 0.000 0.666 1231 V HN 0.490 nan 8.190 nan 0.000 0.456 1232 Q N -0.359 119.482 119.800 0.069 0.000 2.084 1232 Q HA -0.221 4.129 4.340 0.016 0.000 0.202 1232 Q C 2.172 178.200 176.000 0.047 0.000 0.978 1232 Q CA 1.772 57.611 55.803 0.059 0.000 0.844 1232 Q CB -0.617 28.147 28.738 0.044 0.000 0.898 1232 Q HN 0.688 nan 8.270 nan 0.000 0.426 1233 D N -0.845 119.564 120.400 0.016 0.000 2.123 1233 D HA -0.186 4.463 4.640 0.016 0.000 0.196 1233 D C 1.534 177.774 176.300 -0.100 0.000 0.992 1233 D CA 0.917 54.869 54.000 -0.079 0.000 0.833 1233 D CB -0.093 40.614 40.800 -0.155 0.000 0.954 1233 D HN 0.295 nan 8.370 nan 0.000 0.455 1234 W N 0.925 122.229 121.300 0.006 0.000 2.436 1234 W HA 0.009 4.676 4.660 0.012 0.000 0.284 1234 W C 2.638 179.188 176.519 0.050 0.000 1.225 1234 W CA 0.427 57.801 57.345 0.049 0.000 1.271 1234 W CB 0.156 29.677 29.460 0.102 0.000 1.114 1234 W HN -0.063 nan 8.180 nan 0.000 0.559 1235 K N -0.175 120.381 120.400 0.261 0.000 2.288 1235 K HA -0.036 4.294 4.320 0.016 0.000 0.201 1235 K C 2.074 178.734 176.600 0.100 0.000 1.048 1235 K CA 1.059 57.447 56.287 0.167 0.000 0.956 1235 K CB -0.331 32.239 32.500 0.116 0.000 0.746 1235 K HN 0.069 nan 8.250 nan 0.000 0.461 1236 A N 1.453 124.311 122.820 0.063 0.000 2.067 1236 A HA -0.100 4.229 4.320 0.016 0.000 0.219 1236 A C 1.754 179.345 177.584 0.011 0.000 1.158 1236 A CA 0.901 52.949 52.037 0.018 0.000 0.661 1236 A CB -0.182 18.808 19.000 -0.016 0.000 0.801 1236 A HN 0.186 nan 8.150 nan 0.000 0.452 1237 R N -0.853 119.667 120.500 0.033 0.000 2.299 1237 R HA 0.298 4.647 4.340 0.016 0.000 0.197 1237 R C 0.661 177.002 176.300 0.069 0.000 0.971 1237 R CA 0.522 56.641 56.100 0.032 0.000 1.030 1237 R CB -0.024 30.291 30.300 0.025 0.000 0.932 1237 R HN 0.556 nan 8.270 nan 0.000 0.477 1238 G N 1.239 110.085 108.800 0.075 0.000 2.334 1238 G HA2 -0.099 3.871 3.960 0.016 0.000 0.566 1238 G HA3 -0.099 3.871 3.960 0.016 0.000 0.566 1238 G C -1.336 173.593 174.900 0.048 0.000 1.413 1238 G CA -1.178 43.951 45.100 0.048 0.000 0.993 1238 G HN 0.227 nan 8.290 nan 0.000 0.642 1239 R N 0.380 120.877 120.500 -0.005 0.000 2.596 1239 R HA 0.765 5.115 4.340 0.016 0.000 0.267 1239 R C -2.328 173.908 176.300 -0.107 0.000 1.026 1239 R CA -1.500 54.570 56.100 -0.049 0.000 1.087 1239 R CB 1.263 31.511 30.300 -0.086 0.000 1.132 1239 R HN 0.459 nan 8.270 nan 0.000 0.531 1240 P HA -0.012 nan 4.420 nan 0.000 0.271 1240 P C -1.116 175.958 177.300 -0.377 0.000 1.216 1240 P CA -0.302 62.656 63.100 -0.237 0.000 0.771 1240 P CB 1.082 32.668 31.700 -0.191 0.000 0.864 1241 Q N 3.129 122.816 119.800 -0.188 0.000 2.490 1241 Q HA 0.195 4.545 4.340 0.016 0.000 0.226 1241 Q C -0.823 175.162 176.000 -0.026 0.000 1.132 1241 Q CA -0.389 55.336 55.803 -0.129 0.000 0.928 1241 Q CB -0.967 27.736 28.738 -0.059 0.000 1.299 1241 Q HN 0.346 nan 8.270 nan 0.000 0.528 1242 Y N 1.132 121.413 120.300 -0.032 0.000 2.550 1242 Y HA 0.159 4.718 4.550 0.014 0.000 0.343 1242 Y C 0.354 176.213 175.900 -0.069 0.000 1.245 1242 Y CA -0.780 57.286 58.100 -0.057 0.000 1.462 1242 Y CB 0.780 39.208 38.460 -0.054 0.000 1.340 1242 Y HN 0.177 nan 8.280 nan 0.000 0.604 1243 V N 3.244 123.191 119.914 0.056 0.000 2.435 1243 V HA 0.111 4.241 4.120 0.016 0.000 0.290 1243 V C -0.373 175.668 176.094 -0.089 0.000 1.030 1243 V CA -0.924 61.356 62.300 -0.033 0.000 0.881 1243 V CB 1.495 33.243 31.823 -0.124 0.000 0.983 1243 V HN 0.671 nan 8.190 nan 0.000 0.445 1244 D N 2.908 123.297 120.400 -0.019 0.000 2.341 1244 D HA 0.494 5.144 4.640 0.016 0.000 0.245 1244 D C 1.141 177.425 176.300 -0.026 0.000 1.106 1244 D CA 1.238 55.226 54.000 -0.021 0.000 0.905 1244 D CB 1.526 42.342 40.800 0.026 0.000 1.202 1244 D HN 0.878 nan 8.370 nan 0.000 0.426 1245 G N 1.053 109.830 108.800 -0.038 0.000 2.241 1245 G HA2 -0.331 3.638 3.960 0.016 0.000 0.244 1245 G HA3 -0.331 3.638 3.960 0.016 0.000 0.244 1245 G C 1.329 176.202 174.900 -0.045 0.000 0.998 1245 G CA 0.303 45.410 45.100 0.011 0.000 0.621 1245 G HN 0.529 nan 8.290 nan 0.000 0.519 1246 I N 0.765 121.140 120.570 -0.325 0.000 2.151 1246 I HA -0.191 3.988 4.170 0.016 0.000 0.243 1246 I C 2.760 178.783 176.117 -0.157 0.000 1.080 1246 I CA 2.223 63.218 61.300 -0.507 0.000 1.339 1246 I CB -0.432 37.079 38.000 -0.814 0.000 1.039 1246 I HN 0.290 nan 8.210 nan 0.000 0.409 1247 T N -0.203 114.265 114.554 -0.143 0.000 3.043 1247 T HA -0.013 4.346 4.350 0.016 0.000 0.263 1247 T C 1.258 175.943 174.700 -0.026 0.000 1.094 1247 T CA 0.925 62.979 62.100 -0.077 0.000 1.127 1247 T CB -0.096 68.713 68.868 -0.099 0.000 0.905 1247 T HN 0.410 nan 8.240 nan 0.000 0.490 1248 S N 1.231 116.922 115.700 -0.014 0.000 3.697 1248 S HA 0.556 5.036 4.470 0.016 0.000 0.207 1248 S C -0.000 174.625 174.600 0.042 0.000 1.459 1248 S CA -0.025 58.182 58.200 0.012 0.000 1.122 1248 S CB -0.922 62.285 63.200 0.012 0.000 1.311 1248 S HN 0.591 nan 8.310 nan 0.000 0.487 1249 D N 0.000 120.430 120.400 0.050 0.000 6.856 1249 D HA 0.000 4.649 4.640 0.016 0.000 0.175 1249 D CA 0.000 nan 54.000 nan 0.000 0.868 1249 D CB 0.000 nan 40.800 nan 0.000 0.688 1249 D HN 0.000 nan 8.370 nan 0.000 0.683