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 3f5p_1_B DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPEXX XXXXLAPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEENK 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.673 174.600 0.122 0.000 1.055 980 S CA 0.000 58.256 58.200 0.093 0.000 1.107 980 S CB 0.000 63.247 63.200 0.078 0.000 0.593 981 F N 2.875 122.832 119.950 0.012 0.000 2.427 981 F HA 0.672 5.199 4.527 0.000 0.000 0.352 981 F C 0.650 176.465 175.800 0.024 0.000 1.100 981 F CA 1.205 59.215 58.000 0.017 0.000 1.191 981 F CB 1.139 40.148 39.000 0.014 0.000 1.128 981 F HN 1.040 nan 8.300 nan 0.000 0.533 982 S N 3.469 119.009 115.700 -0.268 0.000 2.776 982 S HA 0.677 5.147 4.470 0.000 0.000 0.292 982 S C 0.412 174.894 174.600 -0.197 0.000 1.187 982 S CA -0.415 57.715 58.200 -0.117 0.000 0.834 982 S CB 0.938 64.102 63.200 -0.060 0.000 1.199 982 S HN 0.833 nan 8.310 nan 0.000 0.514 983 A N 0.671 123.475 122.820 -0.026 0.000 1.978 983 A HA 0.185 4.505 4.320 0.000 0.000 0.220 983 A C 2.289 179.918 177.584 0.074 0.000 1.170 983 A CA 2.158 54.257 52.037 0.104 0.000 0.636 983 A CB -1.702 17.296 19.000 -0.004 0.000 0.810 983 A HN 1.591 nan 8.150 nan 0.000 0.448 984 A N -0.158 122.639 122.820 -0.038 0.000 2.024 984 A HA -0.210 4.110 4.320 0.000 0.000 0.220 984 A C 1.632 179.160 177.584 -0.095 0.000 1.164 984 A CA 2.038 54.052 52.037 -0.039 0.000 0.643 984 A CB -0.609 18.366 19.000 -0.042 0.000 0.806 984 A HN 0.564 nan 8.150 nan 0.000 0.451 985 D N -1.621 118.630 120.400 -0.248 0.000 2.194 985 D HA 0.003 4.643 4.640 0.000 0.000 0.204 985 D C 1.775 177.935 176.300 -0.234 0.000 0.964 985 D CA 1.204 54.998 54.000 -0.345 0.000 0.846 985 D CB 0.231 40.539 40.800 -0.819 0.000 0.962 985 D HN 0.310 nan 8.370 nan 0.000 0.490 986 V N -1.206 118.584 119.914 -0.205 0.000 3.212 986 V HA 0.034 4.154 4.120 0.000 0.000 0.244 986 V C 0.769 176.725 176.094 -0.229 0.000 1.151 986 V CA 0.512 62.697 62.300 -0.192 0.000 1.119 986 V CB -0.288 31.401 31.823 -0.224 0.000 0.838 986 V HN 0.137 nan 8.190 nan 0.000 0.470 987 Y N 1.452 121.698 120.300 -0.089 0.000 2.490 987 Y HA 0.392 4.942 4.550 0.000 0.000 0.281 987 Y C 0.665 176.497 175.900 -0.113 0.000 1.174 987 Y CA 0.525 58.571 58.100 -0.091 0.000 1.295 987 Y CB 0.421 38.821 38.460 -0.100 0.000 1.062 987 Y HN 0.269 nan 8.280 nan 0.000 0.522 988 V N -1.888 118.034 119.914 0.013 0.000 2.577 988 V HA 0.496 4.616 4.120 0.000 0.000 0.303 988 V C -2.823 173.289 176.094 0.031 0.000 1.042 988 V CA -3.277 59.005 62.300 -0.031 0.000 0.872 988 V CB 1.449 33.239 31.823 -0.055 0.000 0.998 988 V HN -0.200 nan 8.190 nan 0.000 0.423 989 P HA 0.181 nan 4.420 nan 0.000 0.263 989 P C 0.163 177.588 177.300 0.207 0.000 1.195 989 P CA 0.125 63.327 63.100 0.170 0.000 0.762 989 P CB 0.447 32.329 31.700 0.303 0.000 0.799 990 D N 2.233 122.695 120.400 0.103 0.000 2.411 990 D HA -0.141 4.499 4.640 0.000 0.000 0.226 990 D C 1.316 177.656 176.300 0.066 0.000 0.988 990 D CA 0.759 54.804 54.000 0.076 0.000 0.938 990 D CB 0.046 40.867 40.800 0.035 0.000 0.883 990 D HN 0.567 nan 8.370 nan 0.000 0.525 991 E N -0.660 119.581 120.200 0.069 0.000 2.152 991 E HA -0.158 4.192 4.350 0.000 0.000 0.192 991 E C 1.292 177.780 176.600 -0.185 0.000 0.983 991 E CA 0.600 56.940 56.400 -0.100 0.000 0.818 991 E CB -0.380 29.192 29.700 -0.214 0.000 0.758 991 E HN 0.465 nan 8.360 nan 0.000 0.467 992 W N 2.273 123.556 121.300 -0.030 0.000 3.256 992 W HA 0.158 4.818 4.660 0.000 0.000 0.269 992 W C 0.883 177.387 176.519 -0.024 0.000 1.310 992 W CA -0.490 56.837 57.345 -0.030 0.000 1.673 992 W CB 0.034 29.469 29.460 -0.041 0.000 1.115 992 W HN 0.006 nan 8.180 nan 0.000 0.686 993 E N 1.497 121.787 120.200 0.151 0.000 2.366 993 E HA 0.312 4.662 4.350 0.000 0.000 0.266 993 E C -0.368 176.264 176.600 0.053 0.000 1.051 993 E CA -0.366 56.090 56.400 0.093 0.000 0.884 993 E CB 1.135 30.871 29.700 0.060 0.000 1.006 993 E HN -0.090 nan 8.360 nan 0.000 0.417 994 V N 0.866 120.808 119.914 0.046 0.000 2.971 994 V HA 0.812 4.932 4.120 0.000 0.000 0.309 994 V C -0.658 175.448 176.094 0.019 0.000 1.130 994 V CA -0.496 61.820 62.300 0.027 0.000 0.964 994 V CB 1.462 33.302 31.823 0.030 0.000 1.029 994 V HN 0.897 nan 8.190 nan 0.000 0.427 995 A N 3.596 126.422 122.820 0.010 0.000 2.492 995 A HA 0.410 4.730 4.320 0.000 0.000 0.254 995 A C 1.225 178.811 177.584 0.004 0.000 1.091 995 A CA 0.394 52.435 52.037 0.006 0.000 0.768 995 A CB -0.071 18.931 19.000 0.002 0.000 1.028 995 A HN 1.153 nan 8.150 nan 0.000 0.498 996 R N 1.418 121.919 120.500 0.001 0.000 2.185 996 R HA -0.195 4.145 4.340 0.000 0.000 0.247 996 R C 1.488 177.783 176.300 -0.009 0.000 1.159 996 R CA 2.076 58.172 56.100 -0.005 0.000 0.988 996 R CB 0.027 30.321 30.300 -0.010 0.000 0.871 996 R HN 0.906 nan 8.270 nan 0.000 0.458 997 E N 0.116 120.312 120.200 -0.006 0.000 2.358 997 E HA -0.162 4.188 4.350 0.000 0.000 0.195 997 E C 1.204 177.800 176.600 -0.005 0.000 1.010 997 E CA 0.756 57.152 56.400 -0.007 0.000 0.856 997 E CB -0.084 29.613 29.700 -0.005 0.000 0.795 997 E HN 0.357 nan 8.360 nan 0.000 0.504 998 K N 0.157 120.556 120.400 -0.002 0.000 2.296 998 K HA 0.057 4.377 4.320 0.000 0.000 0.200 998 K C 0.158 176.758 176.600 0.000 0.000 1.048 998 K CA 0.240 56.527 56.287 -0.000 0.000 0.966 998 K CB 0.180 32.681 32.500 0.003 0.000 0.754 998 K HN 0.047 nan 8.250 nan 0.000 0.466 999 I N 0.674 121.242 120.570 -0.003 0.000 2.354 999 I HA 0.041 4.211 4.170 0.000 0.000 0.292 999 I C -0.007 176.100 176.117 -0.017 0.000 0.989 999 I CA -0.148 61.149 61.300 -0.005 0.000 1.188 999 I CB 1.805 39.804 38.000 -0.003 0.000 1.342 999 I HN -0.223 nan 8.210 nan 0.000 0.457 1000 T N 7.650 122.196 114.554 -0.013 0.000 2.841 1000 T HA 0.724 5.074 4.350 0.000 0.000 0.283 1000 T C -0.709 173.979 174.700 -0.019 0.000 1.000 1000 T CA -0.748 61.339 62.100 -0.021 0.000 0.977 1000 T CB 0.599 69.461 68.868 -0.011 0.000 0.979 1000 T HN 0.409 nan 8.240 nan 0.000 0.446 1001 M N 4.523 124.097 119.600 -0.044 0.000 2.181 1001 M HA 0.348 4.828 4.480 0.000 0.000 0.323 1001 M C 1.135 177.443 176.300 0.013 0.000 1.004 1001 M CA -0.995 54.285 55.300 -0.034 0.000 0.941 1001 M CB 1.974 34.465 32.600 -0.181 0.000 1.579 1001 M HN 0.767 nan 8.290 nan 0.000 0.427 1002 S N 4.308 120.048 115.700 0.067 0.000 2.357 1002 S HA 0.206 4.676 4.470 0.000 0.000 0.209 1002 S C 0.642 175.320 174.600 0.129 0.000 1.023 1002 S CA 0.010 58.255 58.200 0.074 0.000 0.933 1002 S CB 0.285 63.517 63.200 0.052 0.000 0.897 1002 S HN 0.805 nan 8.310 nan 0.000 0.529 1003 R N 0.797 121.383 120.500 0.143 0.000 2.670 1003 R HA 0.559 4.899 4.340 0.000 0.000 0.289 1003 R C -1.297 175.055 176.300 0.087 0.000 0.965 1003 R CA -0.726 55.441 56.100 0.112 0.000 0.899 1003 R CB 1.272 31.604 30.300 0.052 0.000 1.173 1003 R HN 0.247 nan 8.270 nan 0.000 0.456 1004 E N 2.033 122.213 120.200 -0.034 0.000 2.384 1004 E HA 0.002 4.352 4.350 0.000 0.000 0.266 1004 E C 0.322 176.825 176.600 -0.162 0.000 1.012 1004 E CA 0.031 56.262 56.400 -0.281 0.000 0.901 1004 E CB 1.014 30.527 29.700 -0.311 0.000 0.967 1004 E HN 0.526 nan 8.360 nan 0.000 0.435 1005 L N 1.680 122.792 121.223 -0.184 0.000 2.357 1005 L HA 0.274 4.614 4.340 0.000 0.000 0.211 1005 L C 1.023 177.832 176.870 -0.102 0.000 1.075 1005 L CA 0.394 55.176 54.840 -0.096 0.000 0.830 1005 L CB 0.264 42.290 42.059 -0.054 0.000 0.996 1005 L HN 0.729 nan 8.230 nan 0.000 0.467 1006 G N -0.788 107.923 108.800 -0.148 0.000 2.337 1006 G HA2 0.106 4.066 3.960 0.000 0.000 0.298 1006 G HA3 0.106 4.066 3.960 0.000 0.000 0.298 1006 G C -1.890 172.937 174.900 -0.123 0.000 1.335 1006 G CA -0.730 44.300 45.100 -0.116 0.000 0.875 1006 G HN -0.167 nan 8.290 nan 0.000 0.579 1007 Q N -0.481 119.264 119.800 -0.092 0.000 2.394 1007 Q HA 0.621 4.961 4.340 0.000 0.000 0.248 1007 Q C 0.593 176.554 176.000 -0.064 0.000 0.992 1007 Q CA 1.017 56.772 55.803 -0.079 0.000 0.888 1007 Q CB 1.131 29.828 28.738 -0.068 0.000 1.257 1007 Q HN 1.230 nan 8.270 nan 0.000 0.462 1008 G N -0.056 108.711 108.800 -0.055 0.000 2.816 1008 G HA2 0.391 4.351 3.960 0.000 0.000 0.288 1008 G HA3 0.391 4.351 3.960 0.000 0.000 0.288 1008 G C 0.336 175.180 174.900 -0.094 0.000 1.334 1008 G CA -0.157 44.917 45.100 -0.043 0.000 0.978 1008 G HN 0.727 nan 8.290 nan 0.000 0.493 1009 S N -0.725 114.889 115.700 -0.142 0.000 2.365 1009 S HA -0.129 4.341 4.470 0.000 0.000 0.225 1009 S C 1.377 175.663 174.600 -0.523 0.000 1.039 1009 S CA 1.649 59.614 58.200 -0.391 0.000 1.033 1009 S CB -0.385 62.485 63.200 -0.551 0.000 0.887 1009 S HN 0.397 nan 8.310 nan 0.000 0.447 1010 F N 1.713 121.637 119.950 -0.043 0.000 2.688 1010 F HA 0.586 5.113 4.527 0.000 0.000 0.310 1010 F C 1.232 176.897 175.800 -0.226 0.000 1.098 1010 F CA 0.017 57.917 58.000 -0.166 0.000 1.228 1010 F CB 1.280 40.078 39.000 -0.338 0.000 1.042 1010 F HN 0.596 nan 8.300 nan 0.000 0.557 1011 G N 0.147 108.935 108.800 -0.020 0.000 2.324 1011 G HA2 0.308 4.268 3.960 0.000 0.000 0.293 1011 G HA3 0.308 4.268 3.960 0.000 0.000 0.293 1011 G C -1.859 173.040 174.900 -0.002 0.000 1.297 1011 G CA -1.143 43.941 45.100 -0.027 0.000 0.853 1011 G HN -0.123 nan 8.290 nan 0.000 0.535 1012 M N 0.832 120.451 119.600 0.032 0.000 2.211 1012 M HA 0.622 5.102 4.480 0.000 0.000 0.356 1012 M C -0.206 176.111 176.300 0.029 0.000 1.216 1012 M CA -0.310 54.981 55.300 -0.016 0.000 1.134 1012 M CB 1.269 33.841 32.600 -0.047 0.000 1.564 1012 M HN 0.408 nan 8.290 nan 0.000 0.463 1013 V N 6.850 126.707 119.914 -0.094 0.000 2.439 1013 V HA 0.389 4.509 4.120 0.000 0.000 0.282 1013 V C -0.999 175.001 176.094 -0.157 0.000 1.039 1013 V CA -0.387 61.906 62.300 -0.012 0.000 0.913 1013 V CB 0.587 32.406 31.823 -0.007 0.000 0.983 1013 V HN 0.775 nan 8.190 nan 0.000 0.460 1014 Y N 1.838 122.148 120.300 0.017 0.000 2.446 1014 Y HA 0.456 5.006 4.550 0.000 0.000 0.345 1014 Y C 0.331 176.240 175.900 0.014 0.000 0.984 1014 Y CA -0.741 57.366 58.100 0.012 0.000 1.058 1014 Y CB 1.728 40.195 38.460 0.012 0.000 1.220 1014 Y HN 0.628 nan 8.280 nan 0.000 0.455 1015 E N 1.335 121.623 120.200 0.148 0.000 2.349 1015 E HA 0.629 4.979 4.350 0.000 0.000 0.265 1015 E C -0.208 176.454 176.600 0.103 0.000 1.064 1015 E CA -0.133 56.324 56.400 0.096 0.000 0.886 1015 E CB 1.070 30.802 29.700 0.054 0.000 1.036 1015 E HN 0.911 nan 8.360 nan 0.000 0.413 1016 G N 0.748 109.589 108.800 0.068 0.000 2.427 1016 G HA2 0.353 4.313 3.960 0.000 0.000 0.306 1016 G HA3 0.353 4.313 3.960 0.000 0.000 0.306 1016 G C -1.558 173.361 174.900 0.032 0.000 1.280 1016 G CA -0.447 44.682 45.100 0.049 0.000 0.837 1016 G HN 0.460 nan 8.290 nan 0.000 0.482 1017 V N -0.013 119.915 119.914 0.022 0.000 2.555 1017 V HA 0.794 4.914 4.120 0.000 0.000 0.302 1017 V C 0.220 176.323 176.094 0.015 0.000 1.038 1017 V CA -0.335 61.975 62.300 0.017 0.000 0.887 1017 V CB 1.397 33.227 31.823 0.012 0.000 0.991 1017 V HN 1.615 nan 8.190 nan 0.000 0.434 1018 A N 3.870 126.700 122.820 0.016 0.000 2.360 1018 A HA 0.576 4.896 4.320 0.000 0.000 0.309 1018 A C -0.128 177.463 177.584 0.011 0.000 1.311 1018 A CA -0.709 51.337 52.037 0.015 0.000 0.805 1018 A CB 0.287 19.301 19.000 0.023 0.000 1.144 1018 A HN 0.809 nan 8.150 nan 0.000 0.486 1019 K N 1.066 121.470 120.400 0.007 0.000 2.416 1019 K HA 0.378 4.698 4.320 0.000 0.000 0.283 1019 K C 1.169 177.771 176.600 0.003 0.000 1.037 1019 K CA 1.001 57.291 56.287 0.004 0.000 0.995 1019 K CB 0.548 33.049 32.500 0.002 0.000 0.938 1019 K HN 1.403 nan 8.250 nan 0.000 0.475 1020 G N 1.542 110.342 108.800 0.001 0.000 2.168 1020 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 1020 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 1020 G C 0.630 175.526 174.900 -0.005 0.000 0.997 1020 G CA 0.562 45.660 45.100 -0.003 0.000 0.708 1020 G HN 0.567 nan 8.290 nan 0.000 0.520 1021 V N -1.892 118.022 119.914 -0.000 0.000 2.426 1021 V HA 0.371 4.491 4.120 0.000 0.000 0.242 1021 V C 1.452 177.542 176.094 -0.006 0.000 1.036 1021 V CA 1.445 63.745 62.300 -0.000 0.000 1.044 1021 V CB 0.062 31.894 31.823 0.014 0.000 0.688 1021 V HN 0.527 nan 8.190 nan 0.000 0.462 1022 V N 3.006 122.920 119.914 -0.000 0.000 2.461 1022 V HA 0.328 4.448 4.120 0.000 0.000 0.275 1022 V C 0.106 176.196 176.094 -0.006 0.000 1.047 1022 V CA -0.933 61.366 62.300 -0.001 0.000 0.955 1022 V CB 0.644 32.470 31.823 0.006 0.000 0.988 1022 V HN 0.638 nan 8.190 nan 0.000 0.471 1023 K N 4.061 124.454 120.400 -0.012 0.000 2.473 1023 K HA 0.085 4.405 4.320 0.000 0.000 0.277 1023 K C 0.250 176.846 176.600 -0.007 0.000 1.052 1023 K CA 0.534 56.813 56.287 -0.014 0.000 1.114 1023 K CB -0.510 31.979 32.500 -0.017 0.000 0.869 1023 K HN 0.772 nan 8.250 nan 0.000 0.481 1024 D N 0.551 120.946 120.400 -0.008 0.000 3.090 1024 D HA -0.176 4.464 4.640 0.000 0.000 0.215 1024 D C -0.959 175.341 176.300 -0.001 0.000 1.140 1024 D CA 1.206 55.203 54.000 -0.005 0.000 0.937 1024 D CB -1.241 39.556 40.800 -0.004 0.000 1.108 1024 D HN 0.759 nan 8.370 nan 0.000 0.420 1025 E N -0.712 119.488 120.200 -0.001 0.000 2.218 1025 E HA 0.283 4.633 4.350 0.000 0.000 0.263 1025 E C -1.933 174.668 176.600 0.001 0.000 0.879 1025 E CA -1.911 54.490 56.400 0.002 0.000 0.762 1025 E CB 1.964 31.667 29.700 0.004 0.000 1.166 1025 E HN -0.082 nan 8.360 nan 0.000 0.415 1026 P HA -0.072 nan 4.420 nan 0.000 0.221 1026 P C -0.379 176.922 177.300 0.002 0.000 1.150 1026 P CA 1.047 64.147 63.100 0.001 0.000 0.800 1026 P CB 0.566 32.266 31.700 0.001 0.000 0.787 1027 E N -2.085 118.117 120.200 0.004 0.000 2.408 1027 E HA 0.535 4.885 4.350 0.000 0.000 0.275 1027 E C -0.949 175.656 176.600 0.008 0.000 0.935 1027 E CA -0.622 55.781 56.400 0.006 0.000 0.775 1027 E CB 2.302 32.006 29.700 0.006 0.000 1.277 1027 E HN -0.271 nan 8.360 nan 0.000 0.455 1028 T N 0.852 115.411 114.554 0.010 0.000 2.923 1028 T HA 0.378 4.728 4.350 0.000 0.000 0.311 1028 T C -0.754 173.954 174.700 0.014 0.000 1.183 1028 T CA -0.855 61.252 62.100 0.011 0.000 1.020 1028 T CB 1.445 70.321 68.868 0.013 0.000 1.165 1028 T HN 0.245 nan 8.240 nan 0.000 0.482 1029 R N 1.207 121.714 120.500 0.012 0.000 2.357 1029 R HA 0.713 5.053 4.340 0.000 0.000 0.296 1029 R C -0.289 176.022 176.300 0.019 0.000 1.052 1029 R CA -0.567 55.542 56.100 0.015 0.000 0.988 1029 R CB 0.880 31.185 30.300 0.009 0.000 1.025 1029 R HN 0.521 nan 8.270 nan 0.000 0.469 1030 V N -1.444 118.486 119.914 0.027 0.000 3.188 1030 V HA 0.811 4.931 4.120 0.000 0.000 0.305 1030 V C -0.791 175.332 176.094 0.047 0.000 1.232 1030 V CA -1.382 60.939 62.300 0.035 0.000 1.043 1030 V CB 1.915 33.762 31.823 0.040 0.000 1.068 1030 V HN 0.817 nan 8.190 nan 0.000 0.439 1031 A N 2.891 125.744 122.820 0.054 0.000 2.301 1031 A HA 0.875 5.195 4.320 0.000 0.000 0.312 1031 A C -0.421 177.220 177.584 0.095 0.000 1.182 1031 A CA -0.606 51.475 52.037 0.073 0.000 0.826 1031 A CB 0.375 19.411 19.000 0.061 0.000 1.134 1031 A HN 0.868 nan 8.150 nan 0.000 0.501 1032 I N 1.854 122.502 120.570 0.130 0.000 2.418 1032 I HA 0.387 4.557 4.170 0.000 0.000 0.287 1032 I C -0.054 176.184 176.117 0.200 0.000 1.008 1032 I CA -0.443 60.940 61.300 0.138 0.000 1.104 1032 I CB 1.410 39.468 38.000 0.098 0.000 1.264 1032 I HN 0.740 nan 8.210 nan 0.000 0.438 1033 K N 4.588 125.097 120.400 0.181 0.000 2.159 1033 K HA 0.575 4.895 4.320 0.000 0.000 0.266 1033 K C -0.331 176.357 176.600 0.147 0.000 0.975 1033 K CA -0.301 56.104 56.287 0.197 0.000 0.865 1033 K CB 1.388 34.030 32.500 0.236 0.000 1.087 1033 K HN 0.788 nan 8.250 nan 0.000 0.446 1034 T N -0.045 114.585 114.554 0.127 0.000 2.786 1034 T HA 0.415 4.765 4.350 0.000 0.000 0.283 1034 T C -0.511 174.164 174.700 -0.043 0.000 0.992 1034 T CA -0.879 61.245 62.100 0.040 0.000 0.954 1034 T CB 1.189 70.079 68.868 0.037 0.000 0.934 1034 T HN 0.159 nan 8.240 nan 0.000 0.440 1035 V N 5.235 125.065 119.914 -0.140 0.000 2.350 1035 V HA 0.368 4.488 4.120 0.000 0.000 0.276 1035 V C 0.732 176.756 176.094 -0.115 0.000 1.028 1035 V CA -1.115 61.054 62.300 -0.218 0.000 0.860 1035 V CB 0.310 31.862 31.823 -0.452 0.000 0.990 1035 V HN 1.055 nan 8.190 nan 0.000 0.453 1036 N N 2.700 121.356 118.700 -0.073 0.000 2.445 1036 N HA 0.224 4.964 4.740 0.000 0.000 0.264 1036 N C 0.658 176.141 175.510 -0.045 0.000 1.227 1036 N CA -0.734 52.290 53.050 -0.043 0.000 0.963 1036 N CB 1.487 39.963 38.487 -0.019 0.000 1.188 1036 N HN 0.591 nan 8.380 nan 0.000 0.491 1037 E N 0.239 120.421 120.200 -0.030 0.000 2.187 1037 E HA -0.244 4.106 4.350 0.000 0.000 0.199 1037 E C 1.198 177.786 176.600 -0.021 0.000 1.004 1037 E CA 1.353 57.739 56.400 -0.023 0.000 0.813 1037 E CB -0.228 29.465 29.700 -0.012 0.000 0.736 1037 E HN 0.746 nan 8.360 nan 0.000 0.468 1038 A N 0.439 123.249 122.820 -0.018 0.000 2.176 1038 A HA 0.239 4.559 4.320 0.000 0.000 0.214 1038 A C 0.348 177.923 177.584 -0.016 0.000 1.327 1038 A CA 0.663 52.693 52.037 -0.013 0.000 1.015 1038 A CB -0.366 18.629 19.000 -0.008 0.000 0.818 1038 A HN 0.166 nan 8.150 nan 0.000 0.500 1039 A N 0.240 123.044 122.820 -0.026 0.000 2.319 1039 A HA 0.622 4.942 4.320 0.000 0.000 0.310 1039 A C 0.474 178.040 177.584 -0.030 0.000 1.152 1039 A CA -0.412 51.608 52.037 -0.029 0.000 0.783 1039 A CB 0.488 19.453 19.000 -0.058 0.000 1.184 1039 A HN 0.458 nan 8.150 nan 0.000 0.474 1040 S N 2.264 117.954 115.700 -0.016 0.000 2.537 1040 S HA -0.069 4.401 4.470 0.000 0.000 0.280 1040 S C 1.387 175.965 174.600 -0.037 0.000 1.335 1040 S CA 0.321 58.511 58.200 -0.017 0.000 1.025 1040 S CB 0.109 63.306 63.200 -0.006 0.000 0.836 1040 S HN 0.803 nan 8.310 nan 0.000 0.523 1041 M N 1.150 120.731 119.600 -0.030 0.000 2.132 1041 M HA -0.118 4.362 4.480 0.000 0.000 0.263 1041 M C 2.526 178.776 176.300 -0.083 0.000 1.065 1041 M CA 1.330 56.602 55.300 -0.047 0.000 1.122 1041 M CB -0.182 32.410 32.600 -0.014 0.000 1.365 1041 M HN 0.667 nan 8.290 nan 0.000 0.411 1042 R N 0.294 120.760 120.500 -0.057 0.000 2.094 1042 R HA -0.188 4.152 4.340 0.000 0.000 0.239 1042 R C 1.916 178.165 176.300 -0.084 0.000 1.137 1042 R CA 1.808 57.870 56.100 -0.064 0.000 0.943 1042 R CB -0.496 29.790 30.300 -0.024 0.000 0.850 1042 R HN 0.429 nan 8.270 nan 0.000 0.433 1043 E N 0.090 120.259 120.200 -0.052 0.000 2.097 1043 E HA -0.217 4.133 4.350 0.000 0.000 0.196 1043 E C 2.111 178.592 176.600 -0.198 0.000 1.000 1043 E CA 1.100 57.472 56.400 -0.047 0.000 0.804 1043 E CB -0.193 29.517 29.700 0.017 0.000 0.740 1043 E HN 0.305 nan 8.360 nan 0.000 0.454 1044 R N 0.142 120.536 120.500 -0.177 0.000 2.073 1044 R HA -0.059 4.281 4.340 0.000 0.000 0.234 1044 R C 2.592 178.750 176.300 -0.237 0.000 1.134 1044 R CA 1.030 57.017 56.100 -0.188 0.000 0.952 1044 R CB -0.370 29.850 30.300 -0.133 0.000 0.850 1044 R HN 0.215 nan 8.270 nan 0.000 0.433 1045 I N 0.402 120.780 120.570 -0.321 0.000 2.286 1045 I HA -0.246 3.924 4.170 0.000 0.000 0.248 1045 I C 2.510 178.388 176.117 -0.399 0.000 1.115 1045 I CA 1.218 62.198 61.300 -0.534 0.000 1.392 1045 I CB -0.353 37.272 38.000 -0.626 0.000 1.065 1045 I HN 0.280 nan 8.210 nan 0.000 0.418 1046 E N 0.856 120.885 120.200 -0.286 0.000 2.072 1046 E HA -0.244 4.106 4.350 0.000 0.000 0.191 1046 E C 2.163 178.574 176.600 -0.314 0.000 0.985 1046 E CA 1.234 57.505 56.400 -0.215 0.000 0.801 1046 E CB -0.087 29.562 29.700 -0.085 0.000 0.750 1046 E HN 0.434 nan 8.360 nan 0.000 0.452 1047 F N 1.080 120.560 119.950 -0.784 0.000 2.161 1047 F HA -0.219 4.308 4.527 0.000 0.000 0.300 1047 F C 1.806 177.332 175.800 -0.456 0.000 1.089 1047 F CA 0.909 58.301 58.000 -1.014 0.000 1.282 1047 F CB 0.021 38.135 39.000 -1.477 0.000 1.010 1047 F HN 0.027 nan 8.300 nan 0.000 0.485 1048 L N 0.369 121.312 121.223 -0.467 0.000 2.131 1048 L HA -0.109 4.231 4.340 0.000 0.000 0.206 1048 L C 2.006 178.648 176.870 -0.381 0.000 1.087 1048 L CA 1.469 56.042 54.840 -0.445 0.000 0.767 1048 L CB -1.908 40.012 42.059 -0.232 0.000 0.917 1048 L HN 0.270 nan 8.230 nan 0.000 0.441 1049 N N -0.541 117.975 118.700 -0.305 0.000 2.244 1049 N HA -0.193 4.547 4.740 0.000 0.000 0.183 1049 N C 1.740 177.111 175.510 -0.232 0.000 1.016 1049 N CA 0.676 53.597 53.050 -0.214 0.000 0.866 1049 N CB 0.188 38.585 38.487 -0.151 0.000 0.980 1049 N HN 0.384 nan 8.380 nan 0.000 0.430 1050 E N 0.767 120.815 120.200 -0.253 0.000 2.072 1050 E HA -0.120 4.230 4.350 0.000 0.000 0.191 1050 E C 1.903 178.340 176.600 -0.271 0.000 0.985 1050 E CA 0.800 57.084 56.400 -0.194 0.000 0.801 1050 E CB 0.013 29.662 29.700 -0.084 0.000 0.750 1050 E HN 0.349 nan 8.360 nan 0.000 0.452 1051 A N 0.370 122.945 122.820 -0.408 0.000 1.972 1051 A HA -0.107 4.213 4.320 0.000 0.000 0.219 1051 A C 2.229 179.523 177.584 -0.483 0.000 1.169 1051 A CA 1.449 53.224 52.037 -0.437 0.000 0.635 1051 A CB -0.275 18.393 19.000 -0.554 0.000 0.810 1051 A HN 0.183 nan 8.150 nan 0.000 0.446 1052 S N -0.612 114.819 115.700 -0.449 0.000 2.555 1052 S HA -0.009 4.461 4.470 0.000 0.000 0.230 1052 S C 1.593 175.919 174.600 -0.457 0.000 0.978 1052 S CA 1.032 58.951 58.200 -0.469 0.000 0.934 1052 S CB -0.099 62.909 63.200 -0.321 0.000 0.766 1052 S HN 0.390 nan 8.310 nan 0.000 0.533 1053 V N 1.632 121.271 119.914 -0.458 0.000 2.500 1053 V HA -0.059 4.061 4.120 0.000 0.000 0.243 1053 V C 2.306 177.809 176.094 -0.986 0.000 1.039 1053 V CA 0.900 62.843 62.300 -0.594 0.000 1.053 1053 V CB -0.560 30.972 31.823 -0.485 0.000 0.695 1053 V HN 0.430 nan 8.190 nan 0.000 0.463 1054 M N 0.966 120.103 119.600 -0.772 0.000 2.226 1054 M HA -0.324 4.156 4.480 0.000 0.000 0.257 1054 M C 2.628 178.539 176.300 -0.649 0.000 1.070 1054 M CA 3.115 58.010 55.300 -0.675 0.000 1.087 1054 M CB -1.627 30.796 32.600 -0.295 0.000 1.278 1054 M HN 0.481 nan 8.290 nan 0.000 0.426 1055 K N 0.517 120.555 120.400 -0.604 0.000 2.209 1055 K HA -0.343 3.977 4.320 0.000 0.000 0.220 1055 K C 1.699 178.246 176.600 -0.087 0.000 1.002 1055 K CA 2.947 58.906 56.287 -0.548 0.000 0.947 1055 K CB -2.021 29.936 32.500 -0.904 0.000 0.891 1055 K HN 0.636 nan 8.250 nan 0.000 0.476 1056 E N -0.777 119.219 120.200 -0.341 0.000 2.048 1056 E HA -0.094 4.256 4.350 0.000 0.000 0.202 1056 E C 0.331 176.914 176.600 -0.029 0.000 1.021 1056 E CA 1.351 57.613 56.400 -0.230 0.000 0.825 1056 E CB -0.327 29.107 29.700 -0.443 0.000 0.756 1056 E HN 0.613 nan 8.360 nan 0.000 0.454 1057 F N 0.974 120.932 119.950 0.014 0.000 2.543 1057 F HA 0.151 4.678 4.527 0.000 0.000 0.375 1057 F C 0.514 176.357 175.800 0.071 0.000 1.075 1057 F CA -0.023 58.060 58.000 0.139 0.000 1.225 1057 F CB -0.176 38.802 39.000 -0.036 0.000 1.099 1057 F HN 0.033 nan 8.300 nan 0.000 0.561 1058 N N 3.162 121.993 118.700 0.218 0.000 2.762 1058 N HA 0.399 5.139 4.740 0.000 0.000 0.252 1058 N C -1.773 173.593 175.510 -0.240 0.000 1.269 1058 N CA -0.232 52.836 53.050 0.029 0.000 0.799 1058 N CB 0.576 39.118 38.487 0.091 0.000 1.173 1058 N HN 0.691 nan 8.380 nan 0.000 0.516 1059 C N 2.170 121.263 119.300 -0.344 0.000 2.712 1059 C HA 0.366 4.826 4.460 0.000 0.000 0.308 1059 C C 1.537 176.403 174.990 -0.207 0.000 1.201 1059 C CA -0.423 58.322 59.018 -0.455 0.000 1.554 1059 C CB 1.026 28.260 27.740 -0.843 0.000 2.117 1059 C HN 0.930 nan 8.230 nan 0.000 0.480 1060 H N 0.829 119.729 119.070 -0.285 0.000 2.457 1060 H HA 0.015 4.571 4.556 0.000 0.000 0.294 1060 H C 1.051 176.153 175.328 -0.377 0.000 1.064 1060 H CA 2.183 58.024 56.048 -0.345 0.000 1.330 1060 H CB 0.001 29.490 29.762 -0.455 0.000 1.395 1060 H HN 0.857 nan 8.280 nan 0.000 0.541 1061 H N -1.332 117.725 119.070 -0.023 0.000 2.505 1061 H HA 0.335 4.891 4.556 0.000 0.000 0.289 1061 H C -0.647 174.664 175.328 -0.028 0.000 1.052 1061 H CA -0.188 55.849 56.048 -0.018 0.000 1.156 1061 H CB 0.788 30.605 29.762 0.091 0.000 1.507 1061 H HN 0.018 nan 8.280 nan 0.000 0.548 1062 V N 1.765 121.686 119.914 0.011 0.000 2.487 1062 V HA 0.125 4.245 4.120 0.000 0.000 0.298 1062 V C 0.054 176.191 176.094 0.072 0.000 1.028 1062 V CA -1.126 61.225 62.300 0.087 0.000 0.860 1062 V CB 2.157 34.019 31.823 0.065 0.000 0.991 1062 V HN 0.023 nan 8.190 nan 0.000 0.427 1063 V N 5.682 125.663 119.914 0.112 0.000 2.557 1063 V HA 0.108 4.228 4.120 0.000 0.000 0.301 1063 V C 0.635 176.803 176.094 0.123 0.000 1.026 1063 V CA 0.080 62.428 62.300 0.080 0.000 1.137 1063 V CB -0.056 31.812 31.823 0.076 0.000 0.917 1063 V HN 1.013 nan 8.190 nan 0.000 0.484 1064 R N 5.136 125.681 120.500 0.074 0.000 2.460 1064 R HA 0.679 5.019 4.340 0.000 0.000 0.303 1064 R C -0.691 175.666 176.300 0.095 0.000 0.968 1064 R CA -0.877 55.279 56.100 0.093 0.000 0.889 1064 R CB 1.328 31.669 30.300 0.068 0.000 1.123 1064 R HN 0.665 nan 8.270 nan 0.000 0.455 1065 L N 4.670 125.956 121.223 0.105 0.000 2.410 1065 L HA 0.115 4.455 4.340 0.000 0.000 0.273 1065 L C 0.129 177.113 176.870 0.190 0.000 1.144 1065 L CA -0.061 54.842 54.840 0.105 0.000 0.863 1065 L CB 0.582 42.646 42.059 0.008 0.000 1.140 1065 L HN 0.884 nan 8.230 nan 0.000 0.463 1066 L N 4.903 126.218 121.223 0.153 0.000 2.463 1066 L HA 0.447 4.787 4.340 0.000 0.000 0.219 1066 L C 0.839 177.818 176.870 0.182 0.000 1.088 1066 L CA 0.438 55.363 54.840 0.142 0.000 0.849 1066 L CB 0.085 42.194 42.059 0.083 0.000 1.012 1066 L HN 0.861 nan 8.230 nan 0.000 0.468 1067 G N -0.433 108.493 108.800 0.210 0.000 2.339 1067 G HA2 0.299 4.259 3.960 0.000 0.000 0.302 1067 G HA3 0.299 4.259 3.960 0.000 0.000 0.302 1067 G C -2.111 172.878 174.900 0.148 0.000 1.425 1067 G CA -0.099 45.142 45.100 0.235 0.000 0.899 1067 G HN -0.201 nan 8.290 nan 0.000 0.619 1068 V N -0.417 119.584 119.914 0.145 0.000 2.709 1068 V HA 0.800 4.920 4.120 0.000 0.000 0.308 1068 V C -0.595 175.545 176.094 0.077 0.000 1.062 1068 V CA -0.829 61.524 62.300 0.087 0.000 0.901 1068 V CB 1.714 33.561 31.823 0.040 0.000 1.003 1068 V HN 1.079 nan 8.190 nan 0.000 0.425 1069 V N 6.751 126.700 119.914 0.058 0.000 2.408 1069 V HA 0.323 4.443 4.120 0.000 0.000 0.267 1069 V C 1.325 177.437 176.094 0.030 0.000 1.047 1069 V CA 0.887 63.209 62.300 0.038 0.000 0.937 1069 V CB 0.888 32.725 31.823 0.025 0.000 0.999 1069 V HN 1.182 nan 8.190 nan 0.000 0.472 1070 S N 3.534 119.246 115.700 0.020 0.000 2.514 1070 S HA 0.117 4.587 4.470 0.000 0.000 0.223 1070 S C 0.599 175.187 174.600 -0.019 0.000 1.046 1070 S CA -0.348 57.852 58.200 0.000 0.000 0.914 1070 S CB 0.198 63.394 63.200 -0.006 0.000 0.807 1070 S HN 0.733 nan 8.310 nan 0.000 0.497 1071 Q N 1.837 121.631 119.800 -0.011 0.000 2.441 1071 Q HA 0.652 4.992 4.340 0.000 0.000 0.234 1071 Q C 0.028 176.024 176.000 -0.006 0.000 1.078 1071 Q CA -0.250 55.546 55.803 -0.012 0.000 0.907 1071 Q CB 0.835 29.571 28.738 -0.002 0.000 1.269 1071 Q HN 0.559 nan 8.270 nan 0.000 0.502 1072 G N 1.038 109.833 108.800 -0.009 0.000 2.336 1072 G HA2 -0.058 3.902 3.960 0.000 0.000 0.300 1072 G HA3 -0.058 3.902 3.960 0.000 0.000 0.300 1072 G C -0.260 174.633 174.900 -0.012 0.000 1.375 1072 G CA -0.549 44.546 45.100 -0.009 0.000 0.885 1072 G HN 0.252 nan 8.290 nan 0.000 0.599 1073 Q N -0.690 119.103 119.800 -0.013 0.000 2.033 1073 Q HA 0.086 4.426 4.340 0.000 0.000 0.196 1073 Q C -1.345 174.642 176.000 -0.021 0.000 0.970 1073 Q CA 1.445 57.239 55.803 -0.014 0.000 0.828 1073 Q CB -0.698 28.033 28.738 -0.012 0.000 0.895 1073 Q HN 0.498 nan 8.270 nan 0.000 0.440 1074 P HA 0.173 nan 4.420 nan 0.000 0.297 1074 P C -1.056 176.229 177.300 -0.025 0.000 1.342 1074 P CA -0.001 63.080 63.100 -0.033 0.000 0.801 1074 P CB 0.922 32.597 31.700 -0.040 0.000 0.920 1075 T N 4.503 119.044 114.554 -0.022 0.000 2.867 1075 T HA 0.169 4.519 4.350 0.000 0.000 0.297 1075 T C 0.564 175.287 174.700 0.038 0.000 0.989 1075 T CA 0.160 62.267 62.100 0.013 0.000 1.159 1075 T CB -0.064 68.827 68.868 0.038 0.000 0.928 1075 T HN 0.210 nan 8.240 nan 0.000 0.538 1076 L N 3.383 124.638 121.223 0.052 0.000 2.309 1076 L HA 0.634 4.974 4.340 0.000 0.000 0.282 1076 L C -0.296 176.644 176.870 0.116 0.000 1.036 1076 L CA -1.108 53.774 54.840 0.070 0.000 0.806 1076 L CB 1.461 43.539 42.059 0.033 0.000 1.220 1076 L HN 0.329 nan 8.230 nan 0.000 0.429 1077 V N 4.038 124.045 119.914 0.156 0.000 2.448 1077 V HA 0.388 4.508 4.120 0.000 0.000 0.295 1077 V C -0.262 175.899 176.094 0.112 0.000 1.025 1077 V CA -0.407 61.977 62.300 0.139 0.000 0.859 1077 V CB 2.135 34.074 31.823 0.193 0.000 0.988 1077 V HN 0.452 nan 8.190 nan 0.000 0.431 1078 I N 6.211 126.834 120.570 0.088 0.000 2.307 1078 I HA 0.399 4.569 4.170 0.000 0.000 0.287 1078 I C 0.122 176.286 176.117 0.080 0.000 1.054 1078 I CA 0.241 61.590 61.300 0.081 0.000 1.218 1078 I CB 0.943 38.987 38.000 0.073 0.000 1.398 1078 I HN 0.410 nan 8.210 nan 0.000 0.475 1079 M N 4.569 124.214 119.600 0.076 0.000 2.528 1079 M HA 0.334 4.814 4.480 0.000 0.000 0.318 1079 M C 0.368 176.702 176.300 0.055 0.000 1.195 1079 M CA -0.735 54.606 55.300 0.068 0.000 1.000 1079 M CB 1.376 34.018 32.600 0.070 0.000 1.615 1079 M HN 0.600 nan 8.290 nan 0.000 0.469 1080 E N 1.667 121.895 120.200 0.046 0.000 2.415 1080 E HA 0.164 4.514 4.350 0.000 0.000 0.262 1080 E C -1.186 175.424 176.600 0.017 0.000 1.038 1080 E CA -0.263 56.153 56.400 0.027 0.000 0.921 1080 E CB 0.812 30.519 29.700 0.012 0.000 0.950 1080 E HN 0.595 nan 8.360 nan 0.000 0.438 1081 L N 3.804 125.032 121.223 0.008 0.000 2.331 1081 L HA 0.194 4.534 4.340 0.000 0.000 0.278 1081 L C -0.418 176.438 176.870 -0.023 0.000 1.106 1081 L CA -0.490 54.350 54.840 -0.001 0.000 0.824 1081 L CB 0.930 42.990 42.059 0.001 0.000 1.142 1081 L HN 0.764 nan 8.230 nan 0.000 0.443 1082 M N 4.356 123.939 119.600 -0.029 0.000 2.065 1082 M HA 0.150 4.630 4.480 0.000 0.000 0.332 1082 M C 1.120 177.382 176.300 -0.064 0.000 0.988 1082 M CA -0.426 54.841 55.300 -0.055 0.000 0.944 1082 M CB 0.664 33.234 32.600 -0.050 0.000 1.357 1082 M HN 0.596 nan 8.290 nan 0.000 0.388 1083 T N -0.747 113.758 114.554 -0.082 0.000 2.849 1083 T HA -0.088 4.262 4.350 0.000 0.000 0.270 1083 T C 1.309 175.960 174.700 -0.083 0.000 1.066 1083 T CA 1.068 63.122 62.100 -0.077 0.000 1.130 1083 T CB -0.038 68.775 68.868 -0.092 0.000 0.864 1083 T HN 0.597 nan 8.240 nan 0.000 0.481 1084 R N 1.531 121.957 120.500 -0.124 0.000 2.356 1084 R HA 0.418 4.758 4.340 0.000 0.000 0.234 1084 R C 1.591 177.874 176.300 -0.029 0.000 0.929 1084 R CA 0.249 56.289 56.100 -0.102 0.000 1.084 1084 R CB -0.247 29.909 30.300 -0.239 0.000 1.105 1084 R HN 0.585 nan 8.270 nan 0.000 0.515 1085 G N 2.581 111.364 108.800 -0.029 0.000 2.601 1085 G HA2 -0.344 3.616 3.960 0.000 0.000 0.252 1085 G HA3 -0.344 3.616 3.960 0.000 0.000 0.252 1085 G C -0.705 174.198 174.900 0.004 0.000 1.294 1085 G CA 0.013 45.112 45.100 -0.001 0.000 0.912 1085 G HN 0.536 nan 8.290 nan 0.000 0.574 1086 D N -0.717 119.699 120.400 0.026 0.000 2.264 1086 D HA 0.463 5.103 4.640 0.000 0.000 0.249 1086 D C 1.464 177.812 176.300 0.080 0.000 1.070 1086 D CA -0.379 53.637 54.000 0.027 0.000 0.912 1086 D CB 1.195 42.002 40.800 0.013 0.000 1.193 1086 D HN 0.716 nan 8.370 nan 0.000 0.427 1087 L N 0.962 122.228 121.223 0.072 0.000 2.265 1087 L HA -0.106 4.234 4.340 0.000 0.000 0.215 1087 L C 1.838 178.816 176.870 0.180 0.000 1.117 1087 L CA 1.626 56.550 54.840 0.140 0.000 0.782 1087 L CB -0.595 41.521 42.059 0.095 0.000 0.914 1087 L HN 0.540 nan 8.230 nan 0.000 0.441 1088 K N -0.926 119.547 120.400 0.121 0.000 2.021 1088 K HA -0.040 4.280 4.320 0.000 0.000 0.205 1088 K C 2.014 178.677 176.600 0.105 0.000 1.047 1088 K CA 1.426 57.782 56.287 0.115 0.000 0.943 1088 K CB -0.045 32.508 32.500 0.088 0.000 0.725 1088 K HN 0.392 nan 8.250 nan 0.000 0.439 1089 S N 0.501 116.260 115.700 0.098 0.000 2.383 1089 S HA -0.159 4.311 4.470 0.000 0.000 0.227 1089 S C 1.722 176.381 174.600 0.099 0.000 1.026 1089 S CA 1.143 59.391 58.200 0.080 0.000 0.981 1089 S CB -0.483 62.760 63.200 0.071 0.000 0.818 1089 S HN 0.407 nan 8.310 nan 0.000 0.472 1090 Y N 2.531 122.852 120.300 0.035 0.000 2.114 1090 Y HA -0.081 4.469 4.550 0.000 0.000 0.284 1090 Y C 1.858 177.788 175.900 0.049 0.000 1.143 1090 Y CA 1.224 59.353 58.100 0.049 0.000 1.135 1090 Y CB -0.614 37.883 38.460 0.061 0.000 0.980 1090 Y HN 0.112 nan 8.280 nan 0.000 0.499 1091 L N 0.034 121.230 121.223 -0.044 0.000 2.042 1091 L HA -0.265 4.075 4.340 0.000 0.000 0.210 1091 L C 2.750 179.526 176.870 -0.157 0.000 1.076 1091 L CA 1.459 56.209 54.840 -0.149 0.000 0.749 1091 L CB -0.601 41.472 42.059 0.024 0.000 0.893 1091 L HN 0.175 nan 8.230 nan 0.000 0.432 1092 R N 0.071 120.531 120.500 -0.067 0.000 2.091 1092 R HA -0.165 4.175 4.340 0.000 0.000 0.238 1092 R C 2.521 178.769 176.300 -0.086 0.000 1.136 1092 R CA 1.831 57.901 56.100 -0.051 0.000 0.959 1092 R CB -0.806 29.491 30.300 -0.005 0.000 0.856 1092 R HN 0.536 nan 8.270 nan 0.000 0.437 1093 S N 0.650 116.280 115.700 -0.117 0.000 2.469 1093 S HA -0.050 4.420 4.470 0.000 0.000 0.238 1093 S C 1.887 176.401 174.600 -0.144 0.000 0.998 1093 S CA 0.734 58.870 58.200 -0.108 0.000 0.957 1093 S CB -0.302 62.850 63.200 -0.079 0.000 0.764 1093 S HN 0.269 nan 8.310 nan 0.000 0.514 1094 L N 0.388 121.480 121.223 -0.218 0.000 2.599 1094 L HA 0.252 4.592 4.340 0.000 0.000 0.230 1094 L C 1.267 178.065 176.870 -0.121 0.000 1.141 1094 L CA -0.068 54.657 54.840 -0.191 0.000 0.877 1094 L CB -0.206 41.699 42.059 -0.257 0.000 1.009 1094 L HN 0.142 nan 8.230 nan 0.000 0.447 1095 R N 0.080 120.521 120.500 -0.098 0.000 2.543 1095 R HA 0.359 4.699 4.340 0.000 0.000 0.268 1095 R C -2.043 174.224 176.300 -0.055 0.000 1.067 1095 R CA -1.609 54.449 56.100 -0.071 0.000 1.142 1095 R CB -0.002 30.263 30.300 -0.058 0.000 1.110 1095 R HN -0.138 nan 8.270 nan 0.000 0.549 1096 P HA 0.020 nan 4.420 nan 0.000 0.277 1096 P C -0.619 176.665 177.300 -0.027 0.000 1.271 1096 P CA -0.575 62.504 63.100 -0.034 0.000 0.795 1096 P CB 0.425 32.106 31.700 -0.032 0.000 1.101 1105 A N 2.220 124.996 122.820 -0.073 0.000 2.587 1105 A HA 0.455 4.775 4.320 0.000 0.000 0.233 1105 A C -2.362 175.172 177.584 -0.084 0.000 1.049 1105 A CA 0.238 52.229 52.037 -0.076 0.000 0.754 1105 A CB -1.263 17.699 19.000 -0.063 0.000 0.977 1105 A HN 0.394 nan 8.150 nan 0.000 0.509 1106 P HA 0.508 nan 4.420 nan 0.000 0.301 1106 P C -2.746 174.512 177.300 -0.070 0.000 1.309 1106 P CA -1.711 61.335 63.100 -0.089 0.000 0.782 1106 P CB -0.544 31.096 31.700 -0.100 0.000 1.282 1107 P HA 0.051 nan 4.420 nan 0.000 0.269 1107 P C 0.073 177.347 177.300 -0.043 0.000 1.215 1107 P CA 0.066 63.141 63.100 -0.043 0.000 0.780 1107 P CB -0.030 31.663 31.700 -0.012 0.000 0.898 1108 S N 2.135 117.810 115.700 -0.042 0.000 2.558 1108 S HA -0.033 4.437 4.470 0.000 0.000 0.288 1108 S C 1.356 175.935 174.600 -0.036 0.000 1.318 1108 S CA -0.515 57.661 58.200 -0.040 0.000 1.056 1108 S CB -0.104 63.072 63.200 -0.039 0.000 0.853 1108 S HN 0.509 nan 8.310 nan 0.000 0.505 1109 L N 2.340 123.542 121.223 -0.036 0.000 2.197 1109 L HA -0.165 4.175 4.340 0.000 0.000 0.215 1109 L C 2.649 179.499 176.870 -0.033 0.000 1.095 1109 L CA 1.999 56.818 54.840 -0.034 0.000 0.764 1109 L CB -0.783 41.257 42.059 -0.031 0.000 0.897 1109 L HN 0.991 nan 8.230 nan 0.000 0.436 1110 S N -0.779 114.901 115.700 -0.033 0.000 2.357 1110 S HA -0.140 4.330 4.470 0.000 0.000 0.221 1110 S C 1.935 176.516 174.600 -0.032 0.000 1.031 1110 S CA 0.867 59.047 58.200 -0.034 0.000 0.982 1110 S CB 0.061 63.242 63.200 -0.031 0.000 0.853 1110 S HN 0.335 nan 8.310 nan 0.000 0.458 1111 K N 1.048 121.431 120.400 -0.027 0.000 2.032 1111 K HA -0.061 4.259 4.320 0.000 0.000 0.209 1111 K C 2.134 178.731 176.600 -0.004 0.000 1.048 1111 K CA 1.450 57.727 56.287 -0.015 0.000 0.927 1111 K CB -0.754 31.737 32.500 -0.015 0.000 0.712 1111 K HN 0.447 nan 8.250 nan 0.000 0.441 1112 M N 0.210 119.803 119.600 -0.011 0.000 2.065 1112 M HA -0.175 4.305 4.480 0.000 0.000 0.259 1112 M C 2.064 178.350 176.300 -0.022 0.000 1.069 1112 M CA 1.253 56.545 55.300 -0.013 0.000 1.110 1112 M CB -0.277 32.307 32.600 -0.028 0.000 1.328 1112 M HN -0.006 nan 8.290 nan 0.000 0.405 1113 I N 0.316 120.865 120.570 -0.035 0.000 2.194 1113 I HA -0.300 3.870 4.170 0.000 0.000 0.246 1113 I C 2.450 178.524 176.117 -0.070 0.000 1.093 1113 I CA 1.659 62.930 61.300 -0.049 0.000 1.355 1113 I CB -1.364 36.599 38.000 -0.061 0.000 1.046 1113 I HN 0.375 nan 8.210 nan 0.000 0.413 1114 Q N 0.665 120.426 119.800 -0.064 0.000 2.061 1114 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 1114 Q C 2.285 178.257 176.000 -0.048 0.000 0.984 1114 Q CA 1.915 57.674 55.803 -0.074 0.000 0.846 1114 Q CB -0.241 28.483 28.738 -0.024 0.000 0.902 1114 Q HN 0.475 nan 8.270 nan 0.000 0.421 1115 M N -0.826 118.772 119.600 -0.005 0.000 2.086 1115 M HA -0.135 4.345 4.480 0.000 0.000 0.261 1115 M C 2.228 178.545 176.300 0.028 0.000 1.067 1115 M CA 1.567 56.880 55.300 0.021 0.000 1.116 1115 M CB -0.601 32.023 32.600 0.041 0.000 1.348 1115 M HN 0.308 nan 8.290 nan 0.000 0.407 1116 A N 0.853 123.692 122.820 0.032 0.000 1.908 1116 A HA -0.091 4.229 4.320 0.000 0.000 0.218 1116 A C 2.387 180.072 177.584 0.168 0.000 1.181 1116 A CA 2.094 54.208 52.037 0.129 0.000 0.627 1116 A CB -1.575 17.481 19.000 0.095 0.000 0.818 1116 A HN 0.580 nan 8.150 nan 0.000 0.445 1117 G N -0.656 108.133 108.800 -0.018 0.000 2.422 1117 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 1117 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 1117 G C 1.413 176.236 174.900 -0.128 0.000 1.140 1117 G CA 0.881 45.893 45.100 -0.145 0.000 0.775 1117 G HN 0.686 nan 8.290 nan 0.000 0.545 1118 E N 0.102 120.211 120.200 -0.151 0.000 2.076 1118 E HA 0.023 4.373 4.350 0.000 0.000 0.190 1118 E C 2.462 178.958 176.600 -0.175 0.000 0.979 1118 E CA 0.292 56.495 56.400 -0.328 0.000 0.807 1118 E CB -0.061 29.530 29.700 -0.181 0.000 0.761 1118 E HN 0.423 nan 8.360 nan 0.000 0.454 1119 I N 1.755 122.324 120.570 -0.001 0.000 2.163 1119 I HA -0.275 3.895 4.170 0.000 0.000 0.243 1119 I C 2.572 178.679 176.117 -0.016 0.000 1.085 1119 I CA 1.201 62.541 61.300 0.065 0.000 1.347 1119 I CB -0.286 37.835 38.000 0.202 0.000 1.044 1119 I HN 0.063 nan 8.210 nan 0.000 0.408 1120 A N -0.224 122.601 122.820 0.008 0.000 2.070 1120 A HA -0.265 4.055 4.320 0.000 0.000 0.220 1120 A C 1.883 179.378 177.584 -0.150 0.000 1.159 1120 A CA 2.139 54.014 52.037 -0.270 0.000 0.656 1120 A CB -0.580 18.303 19.000 -0.195 0.000 0.800 1120 A HN 0.487 nan 8.150 nan 0.000 0.453 1121 D N -0.762 119.647 120.400 0.014 0.000 2.120 1121 D HA 0.023 4.663 4.640 0.000 0.000 0.202 1121 D C 2.053 178.462 176.300 0.181 0.000 0.972 1121 D CA 1.484 55.608 54.000 0.206 0.000 0.837 1121 D CB -0.457 40.520 40.800 0.296 0.000 0.989 1121 D HN 0.233 nan 8.370 nan 0.000 0.469 1122 G N 0.214 109.076 108.800 0.103 0.000 2.442 1122 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 1122 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 1122 G C 1.542 176.410 174.900 -0.053 0.000 1.141 1122 G CA 0.666 45.810 45.100 0.073 0.000 0.763 1122 G HN 0.190 nan 8.290 nan 0.000 0.554 1123 M N 0.974 120.417 119.600 -0.262 0.000 2.200 1123 M HA 0.114 4.594 4.480 0.000 0.000 0.265 1123 M C 2.989 179.070 176.300 -0.365 0.000 1.066 1123 M CA 1.117 56.097 55.300 -0.533 0.000 1.127 1123 M CB -0.997 30.744 32.600 -1.432 0.000 1.379 1123 M HN 0.321 nan 8.290 nan 0.000 0.420 1124 A N -0.868 121.846 122.820 -0.177 0.000 1.933 1124 A HA -0.217 4.103 4.320 0.000 0.000 0.218 1124 A C 2.105 179.660 177.584 -0.049 0.000 1.175 1124 A CA 1.300 53.426 52.037 0.149 0.000 0.628 1124 A CB -1.004 18.243 19.000 0.411 0.000 0.814 1124 A HN 0.501 nan 8.150 nan 0.000 0.444 1125 Y N 0.327 120.356 120.300 -0.452 0.000 2.109 1125 Y HA -0.176 4.374 4.550 0.000 0.000 0.285 1125 Y C 2.075 177.710 175.900 -0.442 0.000 1.131 1125 Y CA 1.610 59.160 58.100 -0.917 0.000 1.121 1125 Y CB -0.373 37.668 38.460 -0.700 0.000 0.987 1125 Y HN 0.176 nan 8.280 nan 0.000 0.495 1126 L N 0.718 121.794 121.223 -0.246 0.000 1.976 1126 L HA -0.401 3.939 4.340 0.000 0.000 0.223 1126 L C 1.883 178.711 176.870 -0.070 0.000 1.081 1126 L CA 2.710 57.426 54.840 -0.208 0.000 0.784 1126 L CB -1.145 40.858 42.059 -0.093 0.000 0.896 1126 L HN 0.481 nan 8.230 nan 0.000 0.438 1127 N N -0.985 117.709 118.700 -0.009 0.000 2.453 1127 N HA -0.095 4.645 4.740 0.000 0.000 0.183 1127 N C 1.716 177.218 175.510 -0.014 0.000 1.041 1127 N CA 0.727 53.808 53.050 0.052 0.000 0.900 1127 N CB 0.025 38.613 38.487 0.168 0.000 0.961 1127 N HN 0.376 nan 8.380 nan 0.000 0.443 1128 A N 1.396 124.161 122.820 -0.093 0.000 1.929 1128 A HA -0.022 4.298 4.320 0.000 0.000 0.216 1128 A C 1.610 179.110 177.584 -0.140 0.000 1.176 1128 A CA 0.854 52.839 52.037 -0.087 0.000 0.628 1128 A CB -0.105 18.835 19.000 -0.099 0.000 0.816 1128 A HN 0.278 nan 8.150 nan 0.000 0.444 1129 N N 0.263 118.828 118.700 -0.224 0.000 2.370 1129 N HA 0.012 4.752 4.740 0.000 0.000 0.198 1129 N C -0.679 174.726 175.510 -0.175 0.000 1.156 1129 N CA 0.066 53.033 53.050 -0.138 0.000 0.839 1129 N CB 0.213 38.658 38.487 -0.070 0.000 0.989 1129 N HN 0.104 nan 8.380 nan 0.000 0.468 1130 K N 0.512 120.808 120.400 -0.174 0.000 3.585 1130 K HA -0.153 4.167 4.320 0.000 0.000 0.275 1130 K C -1.267 175.045 176.600 -0.480 0.000 1.026 1130 K CA 0.807 56.934 56.287 -0.267 0.000 0.800 1130 K CB -1.825 30.496 32.500 -0.298 0.000 1.401 1130 K HN 0.181 nan 8.250 nan 0.000 0.453 1131 F N -0.904 119.035 119.950 -0.020 0.000 2.576 1131 F HA 0.452 4.979 4.527 0.000 0.000 0.313 1131 F C 0.520 176.347 175.800 0.045 0.000 1.078 1131 F CA -1.058 56.951 58.000 0.015 0.000 0.921 1131 F CB 1.713 40.728 39.000 0.025 0.000 1.232 1131 F HN -0.131 nan 8.300 nan 0.000 0.459 1132 V N 1.716 121.793 119.914 0.272 0.000 2.435 1132 V HA 0.248 4.368 4.120 0.000 0.000 0.290 1132 V C 0.786 177.032 176.094 0.253 0.000 1.030 1132 V CA -0.592 61.855 62.300 0.244 0.000 0.881 1132 V CB 1.271 33.216 31.823 0.203 0.000 0.983 1132 V HN 0.892 nan 8.190 nan 0.000 0.445 1133 H N 4.032 123.223 119.070 0.200 0.000 2.403 1133 H HA 0.017 4.573 4.556 0.000 0.000 0.298 1133 H C 1.714 177.105 175.328 0.106 0.000 1.059 1133 H CA 1.903 58.055 56.048 0.174 0.000 1.363 1133 H CB 0.387 30.243 29.762 0.157 0.000 1.410 1133 H HN 0.802 nan 8.280 nan 0.000 0.528 1134 R N -1.060 119.624 120.500 0.307 0.000 4.037 1134 R HA -0.221 4.119 4.340 0.000 0.000 0.418 1134 R C 0.168 176.617 176.300 0.248 0.000 0.701 1134 R CA 1.809 58.017 56.100 0.179 0.000 1.660 1134 R CB -1.371 28.774 30.300 -0.258 0.000 2.238 1134 R HN 0.310 nan 8.270 nan 0.000 0.429 1135 D N 0.321 120.935 120.400 0.356 0.000 2.696 1135 D HA 0.157 4.797 4.640 0.000 0.000 0.269 1135 D C -0.929 175.474 176.300 0.172 0.000 1.319 1135 D CA -0.391 53.748 54.000 0.233 0.000 0.826 1135 D CB 0.344 41.210 40.800 0.110 0.000 1.086 1135 D HN 0.029 nan 8.370 nan 0.000 0.481 1136 L N 1.533 122.817 121.223 0.101 0.000 2.433 1136 L HA 0.587 4.927 4.340 0.000 0.000 0.275 1136 L C -0.431 176.412 176.870 -0.046 0.000 1.128 1136 L CA 0.141 54.889 54.840 -0.154 0.000 0.875 1136 L CB 0.132 42.156 42.059 -0.059 0.000 1.171 1136 L HN 0.139 nan 8.230 nan 0.000 0.463 1137 A N 3.968 126.684 122.820 -0.174 0.000 2.599 1137 A HA 0.749 5.069 4.320 0.000 0.000 0.290 1137 A C 0.494 178.035 177.584 -0.072 0.000 1.101 1137 A CA -0.132 51.776 52.037 -0.216 0.000 0.674 1137 A CB 0.545 18.984 19.000 -0.935 0.000 1.277 1137 A HN 0.916 nan 8.150 nan 0.000 0.419 1138 A N 0.195 123.056 122.820 0.069 0.000 2.015 1138 A HA -0.083 4.237 4.320 0.000 0.000 0.219 1138 A C 1.928 179.520 177.584 0.013 0.000 1.163 1138 A CA 1.814 53.899 52.037 0.080 0.000 0.646 1138 A CB -0.541 18.558 19.000 0.165 0.000 0.806 1138 A HN 1.008 nan 8.150 nan 0.000 0.448 1139 R N -0.685 119.785 120.500 -0.050 0.000 2.237 1139 R HA -0.048 4.292 4.340 0.000 0.000 0.219 1139 R C 0.497 176.746 176.300 -0.084 0.000 1.080 1139 R CA 1.613 57.674 56.100 -0.066 0.000 0.995 1139 R CB -0.327 29.901 30.300 -0.120 0.000 0.875 1139 R HN 0.353 nan 8.270 nan 0.000 0.462 1140 N N -0.206 118.428 118.700 -0.109 0.000 2.254 1140 N HA 0.089 4.829 4.740 0.000 0.000 0.190 1140 N C -0.495 174.951 175.510 -0.106 0.000 1.107 1140 N CA 0.027 53.008 53.050 -0.115 0.000 0.869 1140 N CB 0.481 38.892 38.487 -0.127 0.000 0.983 1140 N HN 0.134 nan 8.380 nan 0.000 0.487 1141 C N 1.413 120.671 119.300 -0.069 0.000 2.364 1141 C HA 0.569 5.029 4.460 0.000 0.000 0.356 1141 C C 0.495 175.467 174.990 -0.030 0.000 1.201 1141 C CA -0.731 58.258 59.018 -0.048 0.000 2.227 1141 C CB 0.694 28.424 27.740 -0.017 0.000 2.387 1141 C HN 0.194 nan 8.230 nan 0.000 0.546 1142 M N 1.740 121.321 119.600 -0.031 0.000 2.602 1142 M HA 0.579 5.059 4.480 0.000 0.000 0.312 1142 M C -1.114 175.150 176.300 -0.059 0.000 1.181 1142 M CA -0.600 54.678 55.300 -0.038 0.000 0.910 1142 M CB 1.669 34.247 32.600 -0.036 0.000 1.723 1142 M HN 0.277 nan 8.290 nan 0.000 0.459 1143 V N 1.380 121.232 119.914 -0.104 0.000 2.448 1143 V HA 0.662 4.782 4.120 0.000 0.000 0.295 1143 V C 0.254 176.234 176.094 -0.190 0.000 1.025 1143 V CA -0.728 61.464 62.300 -0.181 0.000 0.859 1143 V CB 1.435 33.039 31.823 -0.364 0.000 0.988 1143 V HN 1.037 nan 8.190 nan 0.000 0.431 1144 A N 2.873 125.590 122.820 -0.172 0.000 2.249 1144 A HA 0.501 4.821 4.320 0.000 0.000 0.281 1144 A C 1.266 178.680 177.584 -0.283 0.000 1.127 1144 A CA 0.044 51.981 52.037 -0.168 0.000 0.833 1144 A CB 0.218 19.157 19.000 -0.101 0.000 1.140 1144 A HN 0.909 nan 8.150 nan 0.000 0.502 1145 E N 0.006 120.073 120.200 -0.222 0.000 2.160 1145 E HA -0.199 4.151 4.350 0.000 0.000 0.195 1145 E C 0.629 177.010 176.600 -0.366 0.000 0.991 1145 E CA 1.970 58.204 56.400 -0.276 0.000 0.810 1145 E CB -0.108 29.511 29.700 -0.136 0.000 0.742 1145 E HN 0.688 nan 8.360 nan 0.000 0.466 1146 D N -1.360 118.931 120.400 -0.182 0.000 2.460 1146 D HA -0.020 4.620 4.640 0.000 0.000 0.229 1146 D C -0.247 176.148 176.300 0.159 0.000 1.170 1146 D CA -0.488 53.520 54.000 0.013 0.000 0.827 1146 D CB -0.904 39.956 40.800 0.100 0.000 0.973 1146 D HN 0.238 nan 8.370 nan 0.000 0.496 1147 F N -1.268 118.652 119.950 -0.049 0.000 2.953 1147 F HA -0.248 4.279 4.527 0.000 0.000 0.292 1147 F C 0.309 176.066 175.800 -0.072 0.000 0.747 1147 F CA 0.762 58.696 58.000 -0.110 0.000 1.222 1147 F CB -2.643 36.314 39.000 -0.071 0.000 1.457 1147 F HN -0.066 nan 8.300 nan 0.000 0.383 1148 T N 1.487 116.087 114.554 0.077 0.000 2.884 1148 T HA 0.501 4.851 4.350 0.000 0.000 0.298 1148 T C 0.482 175.206 174.700 0.040 0.000 0.998 1148 T CA -0.351 61.811 62.100 0.104 0.000 1.124 1148 T CB 1.646 70.600 68.868 0.143 0.000 0.931 1148 T HN 0.027 nan 8.240 nan 0.000 0.531 1149 V N 4.507 124.463 119.914 0.070 0.000 2.532 1149 V HA 0.497 4.617 4.120 0.000 0.000 0.295 1149 V C 0.110 176.248 176.094 0.074 0.000 1.041 1149 V CA -0.587 61.733 62.300 0.033 0.000 0.926 1149 V CB 1.564 33.405 31.823 0.030 0.000 0.992 1149 V HN 0.767 nan 8.190 nan 0.000 0.457 1150 K N 3.603 124.026 120.400 0.038 0.000 2.498 1150 K HA 0.563 4.883 4.320 0.000 0.000 0.254 1150 K C -1.468 175.145 176.600 0.022 0.000 0.933 1150 K CA -0.910 55.409 56.287 0.054 0.000 0.806 1150 K CB 2.548 35.062 32.500 0.023 0.000 1.301 1150 K HN 0.345 nan 8.250 nan 0.000 0.432 1151 I N 1.166 121.758 120.570 0.038 0.000 2.634 1151 I HA 0.124 4.295 4.170 0.000 0.000 0.284 1151 I C 1.272 177.372 176.117 -0.028 0.000 1.124 1151 I CA 0.883 62.172 61.300 -0.019 0.000 1.417 1151 I CB 0.963 38.984 38.000 0.035 0.000 1.396 1151 I HN 0.978 nan 8.210 nan 0.000 0.571 1152 G N 3.248 111.911 108.800 -0.229 0.000 3.531 1152 G HA2 0.047 4.007 3.960 0.000 0.000 0.212 1152 G HA3 0.047 4.007 3.960 0.000 0.000 0.212 1152 G C -0.397 174.262 174.900 -0.402 0.000 1.146 1152 G CA -0.053 44.921 45.100 -0.209 0.000 0.916 1152 G HN 0.495 nan 8.290 nan 0.000 0.637 1153 D N 0.143 120.158 120.400 -0.642 0.000 2.469 1153 D HA 0.443 5.083 4.640 0.000 0.000 0.251 1153 D C -0.556 175.357 176.300 -0.645 0.000 1.173 1153 D CA -0.795 52.937 54.000 -0.446 0.000 0.882 1153 D CB 0.809 41.490 40.800 -0.198 0.000 1.129 1153 D HN 0.041 nan 8.370 nan 0.000 0.549 1154 F N 0.977 120.867 119.950 -0.100 0.000 2.668 1154 F HA 0.295 4.822 4.527 0.000 0.000 0.301 1154 F C 2.181 177.888 175.800 -0.156 0.000 1.106 1154 F CA -0.634 57.237 58.000 -0.215 0.000 1.289 1154 F CB 1.127 40.058 39.000 -0.114 0.000 1.006 1154 F HN 0.481 nan 8.300 nan 0.000 0.535 1155 G N -0.002 108.803 108.800 0.008 0.000 2.586 1155 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 1155 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 1155 G C 1.308 176.198 174.900 -0.017 0.000 1.128 1155 G CA 0.664 45.775 45.100 0.017 0.000 0.774 1155 G HN 0.290 nan 8.290 nan 0.000 0.543 1156 M N 0.159 119.722 119.600 -0.062 0.000 2.306 1156 M HA 0.278 4.758 4.480 0.000 0.000 0.292 1156 M C 0.692 176.939 176.300 -0.088 0.000 1.018 1156 M CA 0.097 55.346 55.300 -0.084 0.000 1.007 1156 M CB 0.733 33.274 32.600 -0.099 0.000 1.510 1156 M HN -0.134 nan 8.290 nan 0.000 0.537 1157 T N 2.586 117.106 114.554 -0.058 0.000 2.930 1157 T HA 0.291 4.641 4.350 0.000 0.000 0.306 1157 T C 0.121 174.869 174.700 0.082 0.000 1.045 1157 T CA -0.031 62.075 62.100 0.011 0.000 1.134 1157 T CB 0.442 69.336 68.868 0.044 0.000 0.961 1157 T HN 0.110 nan 8.240 nan 0.000 0.545 1158 R N 1.970 122.563 120.500 0.155 0.000 2.750 1158 R HA 0.365 4.705 4.340 0.000 0.000 0.281 1158 R C -0.604 175.867 176.300 0.285 0.000 0.972 1158 R CA -0.942 55.263 56.100 0.174 0.000 0.912 1158 R CB 1.459 31.797 30.300 0.062 0.000 1.187 1158 R HN 0.638 nan 8.270 nan 0.000 0.464 1159 D N 2.725 123.237 120.400 0.186 0.000 2.345 1159 D HA 0.313 4.953 4.640 0.000 0.000 0.247 1159 D C 0.224 176.439 176.300 -0.141 0.000 1.108 1159 D CA -0.063 53.849 54.000 -0.146 0.000 0.894 1159 D CB 0.766 41.487 40.800 -0.132 0.000 1.203 1159 D HN 0.483 nan 8.370 nan 0.000 0.430 1163 T N -0.149 114.393 114.554 -0.021 0.000 12.408 1163 T HA -0.256 4.094 4.350 0.000 0.000 0.400 1163 T C 0.366 175.058 174.700 -0.013 0.000 1.578 1163 T CA 0.792 62.885 62.100 -0.011 0.000 2.574 1163 T CB -1.622 67.243 68.868 -0.006 0.000 2.652 1163 T HN 0.793 nan 8.240 nan 0.000 0.671 1168 K N 1.878 122.391 120.400 0.189 0.000 2.297 1168 K HA 0.343 4.663 4.320 0.000 0.000 0.286 1168 K C 0.792 177.445 176.600 0.088 0.000 1.053 1168 K CA 0.608 56.973 56.287 0.130 0.000 0.940 1168 K CB 1.339 33.940 32.500 0.168 0.000 1.019 1168 K HN 0.671 nan 8.250 nan 0.000 0.475 1169 G N 2.479 111.314 108.800 0.059 0.000 2.425 1169 G HA2 0.010 3.970 3.960 0.000 0.000 0.213 1169 G HA3 0.010 3.970 3.960 0.000 0.000 0.213 1169 G C 0.674 175.597 174.900 0.039 0.000 1.201 1169 G CA 0.638 45.764 45.100 0.043 0.000 0.799 1169 G HN 0.701 nan 8.290 nan 0.000 0.534 1170 G N -0.478 108.343 108.800 0.036 0.000 3.075 1170 G HA2 0.425 4.385 3.960 0.000 0.000 0.156 1170 G HA3 0.425 4.385 3.960 0.000 0.000 0.156 1170 G C -0.320 174.601 174.900 0.035 0.000 1.403 1170 G CA -0.490 44.628 45.100 0.031 0.000 1.033 1170 G HN 0.127 nan 8.290 nan 0.000 0.589 1171 K N 0.585 121.002 120.400 0.029 0.000 2.350 1171 K HA 0.412 4.732 4.320 0.000 0.000 0.279 1171 K C -0.031 176.590 176.600 0.035 0.000 1.027 1171 K CA 0.115 56.421 56.287 0.031 0.000 0.969 1171 K CB 0.842 33.356 32.500 0.023 0.000 0.954 1171 K HN 0.496 nan 8.250 nan 0.000 0.474 1172 G N 2.385 111.212 108.800 0.044 0.000 2.617 1172 G HA2 0.501 4.461 3.960 0.000 0.000 0.306 1172 G HA3 0.501 4.461 3.960 0.000 0.000 0.306 1172 G C -0.231 174.697 174.900 0.047 0.000 1.360 1172 G CA -0.631 44.497 45.100 0.048 0.000 0.983 1172 G HN 0.492 nan 8.290 nan 0.000 0.496 1173 L N 2.176 123.419 121.223 0.033 0.000 2.984 1173 L HA 0.329 4.669 4.340 0.000 0.000 0.246 1173 L C 0.498 177.391 176.870 0.039 0.000 1.268 1173 L CA -0.186 54.673 54.840 0.032 0.000 1.054 1173 L CB -0.059 42.008 42.059 0.014 0.000 1.393 1173 L HN 0.227 nan 8.230 nan 0.000 0.532 1174 L N 1.800 123.060 121.223 0.062 0.000 2.416 1174 L HA 0.224 4.564 4.340 0.000 0.000 0.272 1174 L C -1.729 175.216 176.870 0.125 0.000 1.161 1174 L CA -1.697 53.196 54.840 0.088 0.000 0.845 1174 L CB 0.383 42.524 42.059 0.137 0.000 1.119 1174 L HN -0.022 nan 8.230 nan 0.000 0.464 1175 P HA -0.047 nan 4.420 nan 0.000 0.264 1175 P C 0.736 178.222 177.300 0.311 0.000 1.193 1175 P CA -0.197 63.045 63.100 0.237 0.000 0.763 1175 P CB 0.703 32.570 31.700 0.278 0.000 0.810 1176 V N 2.418 122.469 119.914 0.228 0.000 2.951 1176 V HA -0.108 4.012 4.120 0.000 0.000 0.255 1176 V C 1.745 177.921 176.094 0.136 0.000 1.088 1176 V CA 0.835 63.220 62.300 0.141 0.000 1.109 1176 V CB -0.880 30.969 31.823 0.044 0.000 0.724 1176 V HN 0.364 nan 8.190 nan 0.000 0.471 1177 R N -0.513 120.109 120.500 0.203 0.000 2.193 1177 R HA -0.062 4.278 4.340 0.000 0.000 0.229 1177 R C 1.800 178.130 176.300 0.051 0.000 1.110 1177 R CA 1.646 57.777 56.100 0.053 0.000 0.988 1177 R CB -0.339 29.887 30.300 -0.122 0.000 0.871 1177 R HN 0.638 nan 8.270 nan 0.000 0.458 1178 W N 0.190 121.622 121.300 0.219 0.000 3.220 1178 W HA 0.299 4.959 4.660 0.000 0.000 0.328 1178 W C 0.249 176.957 176.519 0.316 0.000 1.205 1178 W CA -0.605 56.920 57.345 0.301 0.000 1.773 1178 W CB 0.223 29.831 29.460 0.246 0.000 1.086 1178 W HN -0.026 nan 8.180 nan 0.000 0.622 1179 M N 1.088 120.877 119.600 0.316 0.000 2.249 1179 M HA 0.072 4.552 4.480 0.000 0.000 0.351 1179 M C 1.085 177.102 176.300 -0.472 0.000 1.180 1179 M CA 0.156 55.480 55.300 0.040 0.000 1.127 1179 M CB 1.370 33.977 32.600 0.012 0.000 1.546 1179 M HN -0.252 nan 8.290 nan 0.000 0.461 1180 S N 2.897 118.139 115.700 -0.762 0.000 2.593 1180 S HA 0.251 4.721 4.470 0.000 0.000 0.269 1180 S C -2.134 171.869 174.600 -0.995 0.000 1.334 1180 S CA -1.117 56.223 58.200 -1.434 0.000 1.015 1180 S CB 0.444 63.179 63.200 -0.774 0.000 0.912 1180 S HN 0.465 nan 8.310 nan 0.000 0.541 1181 P HA -0.191 nan 4.420 nan 0.000 0.216 1181 P C 1.669 178.665 177.300 -0.508 0.000 1.153 1181 P CA 1.563 64.239 63.100 -0.707 0.000 0.858 1181 P CB -0.087 31.085 31.700 -0.879 0.000 0.789 1182 E N -0.561 119.331 120.200 -0.513 0.000 2.150 1182 E HA -0.099 4.251 4.350 0.000 0.000 0.193 1182 E C 1.727 178.117 176.600 -0.349 0.000 0.985 1182 E CA 1.321 57.514 56.400 -0.345 0.000 0.814 1182 E CB -1.160 28.375 29.700 -0.274 0.000 0.752 1182 E HN 0.139 nan 8.360 nan 0.000 0.466 1183 S N 1.167 116.587 115.700 -0.467 0.000 2.383 1183 S HA 0.004 4.474 4.470 0.000 0.000 0.227 1183 S C 2.110 176.486 174.600 -0.374 0.000 1.026 1183 S CA 0.880 58.718 58.200 -0.602 0.000 0.981 1183 S CB -0.212 62.515 63.200 -0.788 0.000 0.818 1183 S HN 0.221 nan 8.310 nan 0.000 0.472 1184 L N 0.840 121.883 121.223 -0.300 0.000 2.109 1184 L HA -0.033 4.307 4.340 0.000 0.000 0.207 1184 L C 2.460 179.243 176.870 -0.144 0.000 1.086 1184 L CA 1.126 55.853 54.840 -0.187 0.000 0.760 1184 L CB -0.300 41.642 42.059 -0.194 0.000 0.910 1184 L HN 0.214 nan 8.230 nan 0.000 0.437 1185 K N -0.356 119.945 120.400 -0.165 0.000 2.067 1185 K HA -0.085 4.235 4.320 0.000 0.000 0.203 1185 K C 1.144 177.693 176.600 -0.086 0.000 1.048 1185 K CA 1.337 57.558 56.287 -0.109 0.000 0.954 1185 K CB 0.316 32.755 32.500 -0.102 0.000 0.737 1185 K HN 0.266 nan 8.250 nan 0.000 0.444 1186 D N -2.148 118.188 120.400 -0.107 0.000 2.498 1186 D HA 0.108 4.748 4.640 0.000 0.000 0.223 1186 D C 0.440 176.703 176.300 -0.062 0.000 1.125 1186 D CA 0.705 54.662 54.000 -0.071 0.000 0.835 1186 D CB 1.378 42.140 40.800 -0.064 0.000 1.086 1186 D HN 0.410 nan 8.370 nan 0.000 0.510 1187 G N 1.815 110.546 108.800 -0.114 0.000 2.137 1187 G HA2 -0.261 3.699 3.960 0.000 0.000 0.237 1187 G HA3 -0.261 3.699 3.960 0.000 0.000 0.237 1187 G C 0.301 175.157 174.900 -0.073 0.000 1.002 1187 G CA 0.268 45.332 45.100 -0.060 0.000 0.702 1187 G HN 0.242 nan 8.290 nan 0.000 0.515 1188 V N -0.159 119.618 119.914 -0.230 0.000 2.465 1188 V HA 0.762 4.882 4.120 0.000 0.000 0.279 1188 V C 0.094 175.972 176.094 -0.359 0.000 1.045 1188 V CA -0.652 61.565 62.300 -0.138 0.000 0.938 1188 V CB 1.021 32.791 31.823 -0.088 0.000 0.986 1188 V HN 0.201 nan 8.190 nan 0.000 0.467 1189 F N 2.658 122.622 119.950 0.023 0.000 2.507 1189 F HA 0.740 5.267 4.527 0.000 0.000 0.325 1189 F C 0.550 176.367 175.800 0.028 0.000 1.116 1189 F CA -0.334 57.690 58.000 0.040 0.000 0.930 1189 F CB 2.335 41.371 39.000 0.060 0.000 1.146 1189 F HN 0.689 nan 8.300 nan 0.000 0.447 1190 T N -3.229 111.420 114.554 0.158 0.000 2.778 1190 T HA 0.268 4.619 4.350 0.000 0.000 0.293 1190 T C 0.842 175.545 174.700 0.006 0.000 1.144 1190 T CA -0.031 62.079 62.100 0.016 0.000 1.010 1190 T CB 1.269 70.083 68.868 -0.090 0.000 1.325 1190 T HN 0.579 nan 8.240 nan 0.000 0.515 1191 T N -1.410 113.042 114.554 -0.170 0.000 2.962 1191 T HA -0.084 4.266 4.350 0.000 0.000 0.270 1191 T C 1.276 175.953 174.700 -0.039 0.000 1.088 1191 T CA 0.975 63.039 62.100 -0.059 0.000 1.127 1191 T CB -0.888 67.928 68.868 -0.085 0.000 0.883 1191 T HN 0.594 nan 8.240 nan 0.000 0.493 1192 Y N 2.933 123.274 120.300 0.069 0.000 2.163 1192 Y HA -0.014 4.536 4.550 0.000 0.000 0.288 1192 Y C 3.206 179.180 175.900 0.123 0.000 1.136 1192 Y CA 0.698 58.826 58.100 0.046 0.000 1.147 1192 Y CB -1.156 37.322 38.460 0.030 0.000 0.987 1192 Y HN 0.460 nan 8.280 nan 0.000 0.509 1193 S N -0.613 115.244 115.700 0.262 0.000 2.447 1193 S HA -0.149 4.321 4.470 0.000 0.000 0.233 1193 S C 1.455 176.286 174.600 0.385 0.000 1.006 1193 S CA 1.314 59.665 58.200 0.251 0.000 0.957 1193 S CB -0.363 62.892 63.200 0.090 0.000 0.773 1193 S HN 0.316 nan 8.310 nan 0.000 0.507 1194 D N 1.590 122.213 120.400 0.372 0.000 2.117 1194 D HA 0.016 4.656 4.640 0.000 0.000 0.198 1194 D C 2.011 178.632 176.300 0.535 0.000 0.982 1194 D CA 0.748 55.033 54.000 0.475 0.000 0.828 1194 D CB -0.456 40.652 40.800 0.512 0.000 0.967 1194 D HN 0.299 nan 8.370 nan 0.000 0.464 1195 V N 0.928 121.008 119.914 0.277 0.000 2.407 1195 V HA -0.194 3.926 4.120 0.000 0.000 0.248 1195 V C 2.088 178.419 176.094 0.395 0.000 1.055 1195 V CA 1.175 63.531 62.300 0.093 0.000 1.049 1195 V CB -0.410 31.288 31.823 -0.210 0.000 0.662 1195 V HN 0.418 nan 8.190 nan 0.000 0.455 1196 W N 1.079 122.547 121.300 0.280 0.000 2.353 1196 W HA -0.213 4.447 4.660 0.000 0.000 0.319 1196 W C 2.543 179.341 176.519 0.465 0.000 1.207 1196 W CA 2.110 59.682 57.345 0.379 0.000 1.291 1196 W CB -0.721 28.902 29.460 0.273 0.000 1.159 1196 W HN 0.311 nan 8.180 nan 0.000 0.478 1197 S N 1.007 117.187 115.700 0.799 0.000 2.374 1197 S HA -0.276 4.194 4.470 0.000 0.000 0.227 1197 S C 1.568 176.499 174.600 0.552 0.000 1.037 1197 S CA 1.889 60.506 58.200 0.695 0.000 1.024 1197 S CB -1.141 62.423 63.200 0.607 0.000 0.861 1197 S HN 0.373 nan 8.310 nan 0.000 0.456 1198 F N 2.493 122.679 119.950 0.393 0.000 2.069 1198 F HA -0.101 4.426 4.527 0.000 0.000 0.298 1198 F C 2.330 178.255 175.800 0.209 0.000 1.113 1198 F CA 1.521 59.713 58.000 0.320 0.000 1.214 1198 F CB -1.142 38.133 39.000 0.457 0.000 0.978 1198 F HN 0.210 nan 8.300 nan 0.000 0.474 1199 G N 0.136 108.988 108.800 0.086 0.000 2.469 1199 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 1199 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 1199 G C 1.733 176.701 174.900 0.112 0.000 1.150 1199 G CA 1.471 46.431 45.100 -0.233 0.000 0.763 1199 G HN 0.391 nan 8.290 nan 0.000 0.561 1200 V N 0.602 120.728 119.914 0.354 0.000 2.407 1200 V HA -0.167 3.953 4.120 0.000 0.000 0.248 1200 V C 2.957 179.238 176.094 0.312 0.000 1.055 1200 V CA 1.655 64.134 62.300 0.298 0.000 1.049 1200 V CB -0.302 31.561 31.823 0.066 0.000 0.662 1200 V HN 0.359 nan 8.190 nan 0.000 0.455 1201 V N -0.564 119.511 119.914 0.268 0.000 2.548 1201 V HA -0.139 3.981 4.120 0.000 0.000 0.249 1201 V C 2.127 178.258 176.094 0.062 0.000 1.055 1201 V CA 1.633 64.068 62.300 0.225 0.000 1.065 1201 V CB -0.271 31.663 31.823 0.186 0.000 0.681 1201 V HN 0.482 nan 8.190 nan 0.000 0.462 1202 L N -1.308 119.844 121.223 -0.119 0.000 2.042 1202 L HA -0.175 4.165 4.340 0.000 0.000 0.210 1202 L C 2.367 179.258 176.870 0.034 0.000 1.076 1202 L CA 2.573 57.321 54.840 -0.153 0.000 0.749 1202 L CB -0.621 41.239 42.059 -0.332 0.000 0.893 1202 L HN 0.602 nan 8.230 nan 0.000 0.432 1203 W N 1.136 122.428 121.300 -0.013 0.000 2.381 1203 W HA -0.164 4.496 4.660 0.000 0.000 0.301 1203 W C 2.457 178.993 176.519 0.029 0.000 1.205 1203 W CA 1.433 58.815 57.345 0.061 0.000 1.285 1203 W CB 0.072 29.625 29.460 0.155 0.000 1.133 1203 W HN 0.076 nan 8.180 nan 0.000 0.521 1204 E N 0.229 120.648 120.200 0.365 0.000 2.023 1204 E HA -0.290 4.060 4.350 0.000 0.000 0.196 1204 E C 2.110 178.735 176.600 0.042 0.000 1.003 1204 E CA 2.170 58.716 56.400 0.243 0.000 0.809 1204 E CB -0.617 29.286 29.700 0.337 0.000 0.755 1204 E HN 0.316 nan 8.360 nan 0.000 0.449 1205 I N 1.049 121.645 120.570 0.043 0.000 2.145 1205 I HA -0.332 3.838 4.170 0.000 0.000 0.244 1205 I C 2.556 178.625 176.117 -0.080 0.000 1.075 1205 I CA 1.260 62.560 61.300 -0.000 0.000 1.332 1205 I CB -0.485 37.514 38.000 -0.001 0.000 1.033 1205 I HN 0.115 nan 8.210 nan 0.000 0.410 1206 A N 0.329 123.063 122.820 -0.143 0.000 2.015 1206 A HA -0.171 4.149 4.320 0.000 0.000 0.219 1206 A C 2.173 179.577 177.584 -0.301 0.000 1.163 1206 A CA 2.095 54.005 52.037 -0.211 0.000 0.646 1206 A CB -0.812 18.052 19.000 -0.227 0.000 0.806 1206 A HN 0.570 nan 8.150 nan 0.000 0.448 1207 T N -3.811 110.503 114.554 -0.401 0.000 3.092 1207 T HA 0.455 4.805 4.350 0.000 0.000 0.258 1207 T C 0.436 175.002 174.700 -0.224 0.000 1.031 1207 T CA 0.137 61.987 62.100 -0.416 0.000 0.925 1207 T CB -0.543 67.889 68.868 -0.727 0.000 1.036 1207 T HN 0.558 nan 8.240 nan 0.000 0.544 1208 L N 0.596 121.728 121.223 -0.152 0.000 3.597 1208 L HA -0.232 4.108 4.340 0.000 0.000 0.440 1208 L C 0.800 177.645 176.870 -0.043 0.000 1.277 1208 L CA 0.176 54.962 54.840 -0.089 0.000 0.852 1208 L CB -2.328 39.671 42.059 -0.101 0.000 1.708 1208 L HN 0.822 nan 8.230 nan 0.000 0.885 1209 A N -0.490 122.330 122.820 0.000 0.000 2.971 1209 A HA -0.201 4.119 4.320 0.000 0.000 0.280 1209 A C 0.448 178.096 177.584 0.107 0.000 1.430 1209 A CA 1.339 53.431 52.037 0.092 0.000 0.749 1209 A CB -1.178 17.877 19.000 0.092 0.000 1.038 1209 A HN 0.695 nan 8.150 nan 0.000 0.510 1210 E N 0.063 120.316 120.200 0.088 0.000 2.349 1210 E HA 0.370 4.720 4.350 0.000 0.000 0.265 1210 E C 0.552 177.330 176.600 0.296 0.000 1.064 1210 E CA -0.511 55.974 56.400 0.142 0.000 0.886 1210 E CB 0.433 30.166 29.700 0.054 0.000 1.036 1210 E HN 0.517 nan 8.360 nan 0.000 0.413 1211 Q N 3.650 123.578 119.800 0.214 0.000 2.271 1211 Q HA 0.116 4.456 4.340 0.000 0.000 0.273 1211 Q C -2.142 173.891 176.000 0.054 0.000 1.051 1211 Q CA -1.709 54.187 55.803 0.154 0.000 0.901 1211 Q CB 0.578 29.383 28.738 0.111 0.000 1.174 1211 Q HN 0.267 nan 8.270 nan 0.000 0.385 1212 P HA -0.098 nan 4.420 nan 0.000 0.264 1212 P C -1.243 175.787 177.300 -0.450 0.000 1.193 1212 P CA 0.480 63.107 63.100 -0.789 0.000 0.763 1212 P CB 0.074 31.200 31.700 -0.957 0.000 0.810 1213 Y N -0.619 119.409 120.300 -0.452 0.000 3.929 1213 Y HA -0.262 4.288 4.550 0.000 0.000 0.225 1213 Y C 0.974 176.764 175.900 -0.183 0.000 1.200 1213 Y CA 0.364 58.281 58.100 -0.304 0.000 1.791 1213 Y CB -2.663 35.625 38.460 -0.287 0.000 1.561 1213 Y HN 0.448 nan 8.280 nan 0.000 0.657 1214 Q N 0.914 120.696 119.800 -0.029 0.000 2.304 1214 Q HA 0.281 4.621 4.340 0.000 0.000 0.301 1214 Q C 1.478 177.471 176.000 -0.012 0.000 1.063 1214 Q CA 1.574 57.382 55.803 0.008 0.000 0.947 1214 Q CB 0.476 29.237 28.738 0.038 0.000 1.201 1214 Q HN 0.865 nan 8.270 nan 0.000 0.389 1215 G N 2.923 111.717 108.800 -0.010 0.000 2.195 1215 G HA2 -0.222 3.738 3.960 0.000 0.000 0.246 1215 G HA3 -0.222 3.738 3.960 0.000 0.000 0.246 1215 G C -0.139 174.733 174.900 -0.047 0.000 0.984 1215 G CA 0.114 45.198 45.100 -0.027 0.000 0.633 1215 G HN 0.502 nan 8.290 nan 0.000 0.525 1216 L N 1.866 123.059 121.223 -0.050 0.000 2.334 1216 L HA 0.632 4.972 4.340 0.000 0.000 0.276 1216 L C 1.122 177.970 176.870 -0.036 0.000 1.014 1216 L CA -0.324 54.476 54.840 -0.068 0.000 0.815 1216 L CB 1.848 43.833 42.059 -0.124 0.000 1.268 1216 L HN 0.390 nan 8.230 nan 0.000 0.428 1217 S N 0.944 116.624 115.700 -0.034 0.000 2.614 1217 S HA 0.181 4.651 4.470 0.000 0.000 0.265 1217 S C 0.882 175.466 174.600 -0.026 0.000 1.303 1217 S CA -0.731 57.458 58.200 -0.017 0.000 1.000 1217 S CB 0.992 64.185 63.200 -0.012 0.000 0.935 1217 S HN 0.601 nan 8.310 nan 0.000 0.551 1218 N N 1.496 120.191 118.700 -0.010 0.000 2.061 1218 N HA -0.158 4.582 4.740 0.000 0.000 0.193 1218 N C 1.589 177.081 175.510 -0.029 0.000 1.030 1218 N CA 1.649 54.691 53.050 -0.015 0.000 0.856 1218 N CB -0.649 37.846 38.487 0.012 0.000 1.023 1218 N HN 0.730 nan 8.380 nan 0.000 0.424 1219 E N 0.983 121.172 120.200 -0.018 0.000 2.070 1219 E HA -0.222 4.128 4.350 0.000 0.000 0.197 1219 E C 1.957 178.542 176.600 -0.026 0.000 1.004 1219 E CA 1.283 57.672 56.400 -0.019 0.000 0.805 1219 E CB -0.101 29.592 29.700 -0.010 0.000 0.744 1219 E HN 0.502 nan 8.360 nan 0.000 0.451 1220 Q N 0.006 119.788 119.800 -0.031 0.000 2.046 1220 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 1220 Q C 2.390 178.368 176.000 -0.036 0.000 0.975 1220 Q CA 1.228 57.013 55.803 -0.029 0.000 0.836 1220 Q CB -0.036 28.673 28.738 -0.049 0.000 0.896 1220 Q HN 0.086 nan 8.270 nan 0.000 0.428 1221 V N 1.130 120.983 119.914 -0.102 0.000 2.250 1221 V HA -0.311 3.809 4.120 0.000 0.000 0.250 1221 V C 2.192 178.194 176.094 -0.154 0.000 1.060 1221 V CA 1.500 63.675 62.300 -0.210 0.000 1.030 1221 V CB -0.699 30.949 31.823 -0.292 0.000 0.643 1221 V HN 0.414 nan 8.190 nan 0.000 0.445 1222 L N 0.122 121.279 121.223 -0.109 0.000 1.997 1222 L HA -0.285 4.055 4.340 0.000 0.000 0.227 1222 L C 2.650 179.479 176.870 -0.068 0.000 1.087 1222 L CA 2.771 57.558 54.840 -0.088 0.000 0.797 1222 L CB -1.228 40.799 42.059 -0.054 0.000 0.902 1222 L HN 0.383 nan 8.230 nan 0.000 0.441 1223 R N -1.561 118.924 120.500 -0.026 0.000 2.073 1223 R HA -0.245 4.095 4.340 0.000 0.000 0.234 1223 R C 2.470 178.776 176.300 0.010 0.000 1.134 1223 R CA 1.968 58.065 56.100 -0.005 0.000 0.952 1223 R CB -0.605 29.706 30.300 0.018 0.000 0.850 1223 R HN 0.313 nan 8.270 nan 0.000 0.433 1224 F N 0.880 120.763 119.950 -0.111 0.000 2.095 1224 F HA -0.207 4.320 4.527 0.000 0.000 0.298 1224 F C 1.881 177.630 175.800 -0.086 0.000 1.104 1224 F CA 1.677 59.620 58.000 -0.095 0.000 1.232 1224 F CB -0.317 38.611 39.000 -0.119 0.000 0.987 1224 F HN -0.163 nan 8.300 nan 0.000 0.475 1225 V N 0.368 120.188 119.914 -0.156 0.000 2.453 1225 V HA -0.305 3.815 4.120 0.000 0.000 0.247 1225 V C 2.432 178.433 176.094 -0.155 0.000 1.048 1225 V CA 2.035 64.207 62.300 -0.214 0.000 1.049 1225 V CB -0.667 31.018 31.823 -0.229 0.000 0.672 1225 V HN 0.386 nan 8.190 nan 0.000 0.457 1226 M N -0.477 119.050 119.600 -0.122 0.000 2.279 1226 M HA -0.168 4.312 4.480 0.000 0.000 0.264 1226 M C 1.820 178.165 176.300 0.074 0.000 1.062 1226 M CA 1.642 56.919 55.300 -0.038 0.000 1.099 1226 M CB -0.196 32.371 32.600 -0.055 0.000 1.394 1226 M HN 0.339 nan 8.290 nan 0.000 0.426 1227 E N -1.114 119.062 120.200 -0.040 0.000 2.474 1227 E HA 0.136 4.486 4.350 0.000 0.000 0.195 1227 E C 0.964 177.476 176.600 -0.146 0.000 1.039 1227 E CA 0.338 56.685 56.400 -0.088 0.000 0.881 1227 E CB 0.476 30.118 29.700 -0.098 0.000 0.970 1227 E HN 0.614 nan 8.360 nan 0.000 0.486 1228 G N 0.534 109.290 108.800 -0.075 0.000 2.205 1228 G HA2 -0.188 3.772 3.960 0.000 0.000 0.180 1228 G HA3 -0.188 3.772 3.960 0.000 0.000 0.180 1228 G C 0.575 175.367 174.900 -0.182 0.000 1.004 1228 G CA -0.519 44.551 45.100 -0.049 0.000 0.670 1228 G HN 0.442 nan 8.290 nan 0.000 0.496 1229 G N -0.102 108.349 108.800 -0.582 0.000 2.562 1229 G HA2 0.478 4.438 3.960 0.000 0.000 0.233 1229 G HA3 0.478 4.438 3.960 0.000 0.000 0.233 1229 G C 0.054 174.754 174.900 -0.332 0.000 1.266 1229 G CA 0.300 44.692 45.100 -1.179 0.000 0.852 1229 G HN 0.751 nan 8.290 nan 0.000 0.581 1230 L N 0.344 121.578 121.223 0.019 0.000 2.376 1230 L HA 0.423 4.763 4.340 0.000 0.000 0.258 1230 L C -0.037 176.927 176.870 0.156 0.000 1.013 1230 L CA -1.014 53.875 54.840 0.082 0.000 0.822 1230 L CB 2.124 44.263 42.059 0.134 0.000 1.388 1230 L HN 0.324 nan 8.230 nan 0.000 0.413 1231 L N 1.205 122.256 121.223 -0.287 0.000 2.397 1231 L HA 0.165 4.505 4.340 0.000 0.000 0.271 1231 L C -0.249 176.740 176.870 0.197 0.000 1.148 1231 L CA -0.370 54.247 54.840 -0.372 0.000 0.825 1231 L CB 0.434 41.817 42.059 -1.126 0.000 1.117 1231 L HN 0.445 nan 8.230 nan 0.000 0.456 1232 D N 2.511 123.035 120.400 0.205 0.000 2.372 1232 D HA 0.027 4.667 4.640 0.000 0.000 0.243 1232 D C 0.151 176.600 176.300 0.249 0.000 1.121 1232 D CA -0.167 53.968 54.000 0.225 0.000 0.898 1232 D CB 0.919 41.787 40.800 0.114 0.000 1.202 1232 D HN 0.286 nan 8.370 nan 0.000 0.428 1233 K N 2.898 123.123 120.400 -0.291 0.000 2.436 1233 K HA 0.076 4.396 4.320 0.000 0.000 0.282 1233 K C -2.319 174.106 176.600 -0.291 0.000 1.044 1233 K CA -1.018 54.758 56.287 -0.851 0.000 1.028 1233 K CB 0.198 31.815 32.500 -1.471 0.000 0.919 1233 K HN 0.073 nan 8.250 nan 0.000 0.474 1234 P HA -0.055 nan 4.420 nan 0.000 0.267 1234 P C -0.795 176.385 177.300 -0.199 0.000 1.200 1234 P CA 0.079 63.038 63.100 -0.235 0.000 0.772 1234 P CB 0.434 31.894 31.700 -0.399 0.000 0.855 1235 D N 2.398 122.704 120.400 -0.157 0.000 2.455 1235 D HA -0.035 4.605 4.640 0.000 0.000 0.241 1235 D C 0.638 176.860 176.300 -0.131 0.000 1.138 1235 D CA 0.743 54.666 54.000 -0.128 0.000 0.877 1235 D CB -0.056 40.686 40.800 -0.097 0.000 1.187 1235 D HN 0.492 nan 8.370 nan 0.000 0.451 1236 N N -0.191 118.443 118.700 -0.110 0.000 2.925 1236 N HA -0.191 4.549 4.740 0.000 0.000 0.244 1236 N C -0.242 175.208 175.510 -0.101 0.000 1.000 1236 N CA -0.004 52.988 53.050 -0.096 0.000 0.895 1236 N CB -1.224 37.207 38.487 -0.094 0.000 1.119 1236 N HN 0.346 nan 8.380 nan 0.000 0.569 1237 C N 2.080 121.312 119.300 -0.114 0.000 2.265 1237 C HA 0.402 4.862 4.460 0.000 0.000 0.332 1237 C C -1.930 173.027 174.990 -0.055 0.000 1.248 1237 C CA -1.720 57.241 59.018 -0.094 0.000 1.727 1237 C CB -0.147 27.529 27.740 -0.107 0.000 2.348 1237 C HN 0.126 nan 8.230 nan 0.000 0.519 1238 P HA 0.019 nan 4.420 nan 0.000 0.263 1238 P C 0.687 177.995 177.300 0.014 0.000 1.175 1238 P CA 0.639 63.728 63.100 -0.018 0.000 0.761 1238 P CB 0.521 32.208 31.700 -0.022 0.000 0.794 1239 D N 2.276 122.686 120.400 0.017 0.000 2.182 1239 D HA -0.173 4.467 4.640 0.000 0.000 0.201 1239 D C 1.488 177.829 176.300 0.068 0.000 0.986 1239 D CA 1.163 55.195 54.000 0.053 0.000 0.847 1239 D CB -0.032 40.788 40.800 0.033 0.000 0.942 1239 D HN 0.317 nan 8.370 nan 0.000 0.467 1240 M N 0.059 119.676 119.600 0.028 0.000 2.175 1240 M HA -0.150 4.330 4.480 0.000 0.000 0.264 1240 M C 2.015 178.312 176.300 -0.005 0.000 1.063 1240 M CA 0.892 56.197 55.300 0.007 0.000 1.119 1240 M CB -0.347 32.249 32.600 -0.007 0.000 1.377 1240 M HN 0.023 nan 8.290 nan 0.000 0.415 1241 L N 0.300 121.525 121.223 0.004 0.000 2.093 1241 L HA -0.118 4.222 4.340 0.000 0.000 0.208 1241 L C 2.164 179.020 176.870 -0.024 0.000 1.085 1241 L CA 1.564 56.390 54.840 -0.023 0.000 0.755 1241 L CB -0.934 41.112 42.059 -0.022 0.000 0.904 1241 L HN 0.354 nan 8.230 nan 0.000 0.435 1242 F N -0.249 119.646 119.950 -0.092 0.000 2.407 1242 F HA -0.093 4.434 4.527 0.000 0.000 0.299 1242 F C 2.239 177.968 175.800 -0.120 0.000 1.097 1242 F CA 0.967 58.913 58.000 -0.090 0.000 1.422 1242 F CB 0.084 39.071 39.000 -0.023 0.000 1.067 1242 F HN 0.122 nan 8.300 nan 0.000 0.539 1243 E N 0.345 120.500 120.200 -0.076 0.000 2.158 1243 E HA -0.094 4.256 4.350 0.000 0.000 0.191 1243 E C 2.282 178.735 176.600 -0.245 0.000 0.982 1243 E CA 0.670 56.987 56.400 -0.138 0.000 0.823 1243 E CB -0.364 29.320 29.700 -0.027 0.000 0.766 1243 E HN 0.465 nan 8.360 nan 0.000 0.468 1244 L N -0.267 120.820 121.223 -0.226 0.000 2.056 1244 L HA -0.145 4.195 4.340 0.000 0.000 0.207 1244 L C 2.085 178.701 176.870 -0.422 0.000 1.078 1244 L CA 1.091 55.796 54.840 -0.225 0.000 0.749 1244 L CB -0.176 41.806 42.059 -0.129 0.000 0.901 1244 L HN 0.300 nan 8.230 nan 0.000 0.433 1245 M N -0.912 118.294 119.600 -0.658 0.000 2.080 1245 M HA -0.275 4.205 4.480 0.000 0.000 0.260 1245 M C 2.261 177.687 176.300 -1.458 0.000 1.068 1245 M CA 1.832 56.370 55.300 -1.270 0.000 1.109 1245 M CB -0.526 31.179 32.600 -1.490 0.000 1.342 1245 M HN 0.148 nan 8.290 nan 0.000 0.405 1246 R N -0.094 119.815 120.500 -0.985 0.000 2.152 1246 R HA -0.068 4.272 4.340 0.000 0.000 0.232 1246 R C 2.105 178.212 176.300 -0.322 0.000 1.117 1246 R CA 1.300 57.065 56.100 -0.558 0.000 0.981 1246 R CB -0.276 29.779 30.300 -0.409 0.000 0.870 1246 R HN 0.460 nan 8.270 nan 0.000 0.451 1247 M N -0.645 118.755 119.600 -0.332 0.000 2.098 1247 M HA -0.157 4.323 4.480 0.000 0.000 0.262 1247 M C 2.402 178.599 176.300 -0.172 0.000 1.072 1247 M CA 1.269 56.458 55.300 -0.184 0.000 1.133 1247 M CB -0.264 32.248 32.600 -0.147 0.000 1.344 1247 M HN 0.188 nan 8.290 nan 0.000 0.414 1248 C N -0.436 118.680 119.300 -0.307 0.000 2.409 1248 C HA -0.158 4.302 4.460 0.000 0.000 0.284 1248 C C 1.725 176.666 174.990 -0.082 0.000 1.354 1248 C CA 0.413 59.296 59.018 -0.225 0.000 1.787 1248 C CB -1.253 26.294 27.740 -0.321 0.000 1.900 1248 C HN 0.659 nan 8.230 nan 0.000 0.520 1249 W N -0.179 120.990 121.300 -0.219 0.000 3.239 1249 W HA 0.338 4.998 4.660 0.000 0.000 0.368 1249 W C 0.824 177.394 176.519 0.085 0.000 1.154 1249 W CA -0.691 56.476 57.345 -0.297 0.000 1.860 1249 W CB -1.176 27.919 29.460 -0.607 0.000 1.094 1249 W HN 0.256 nan 8.180 nan 0.000 0.643 1250 Q N 0.346 120.294 119.800 0.246 0.000 2.269 1250 Q HA -0.144 4.196 4.340 0.000 0.000 0.300 1250 Q C 1.088 177.258 176.000 0.284 0.000 1.070 1250 Q CA 0.471 56.400 55.803 0.209 0.000 0.957 1250 Q CB 0.199 28.995 28.738 0.097 0.000 1.131 1250 Q HN 0.332 nan 8.270 nan 0.000 0.377 1251 Y N 3.400 123.797 120.300 0.163 0.000 2.128 1251 Y HA -0.224 4.326 4.550 0.000 0.000 0.284 1251 Y C 0.795 176.723 175.900 0.047 0.000 1.154 1251 Y CA 1.759 59.929 58.100 0.117 0.000 1.149 1251 Y CB 0.179 38.670 38.460 0.051 0.000 0.976 1251 Y HN 0.702 nan 8.280 nan 0.000 0.505 1252 N N 1.427 120.256 118.700 0.215 0.000 2.406 1252 N HA 0.022 4.762 4.740 0.000 0.000 0.265 1252 N C -2.166 173.317 175.510 -0.045 0.000 1.203 1252 N CA -1.752 51.341 53.050 0.071 0.000 0.945 1252 N CB 1.010 39.529 38.487 0.053 0.000 1.165 1252 N HN 0.056 nan 8.380 nan 0.000 0.485 1253 P HA -0.169 nan 4.420 nan 0.000 0.217 1253 P C 0.678 177.629 177.300 -0.580 0.000 1.148 1253 P CA 1.398 64.380 63.100 -0.198 0.000 0.828 1253 P CB 0.266 31.912 31.700 -0.092 0.000 0.783 1254 K N -1.347 118.720 120.400 -0.555 0.000 2.439 1254 K HA 0.068 4.388 4.320 0.000 0.000 0.197 1254 K C 1.119 177.533 176.600 -0.311 0.000 1.041 1254 K CA 0.807 56.733 56.287 -0.602 0.000 0.970 1254 K CB -0.136 32.173 32.500 -0.318 0.000 0.773 1254 K HN 0.244 nan 8.250 nan 0.000 0.479 1255 M N 0.820 120.304 119.600 -0.192 0.000 2.475 1255 M HA 0.117 4.597 4.480 0.000 0.000 0.261 1255 M C 0.036 176.298 176.300 -0.064 0.000 1.177 1255 M CA 0.201 55.447 55.300 -0.091 0.000 0.979 1255 M CB 0.044 32.622 32.600 -0.036 0.000 1.482 1255 M HN -0.060 nan 8.290 nan 0.000 0.484 1256 R N 0.688 121.135 120.500 -0.088 0.000 2.691 1256 R HA 0.592 4.932 4.340 0.000 0.000 0.259 1256 R C -2.401 173.872 176.300 -0.046 0.000 1.048 1256 R CA -1.621 54.455 56.100 -0.040 0.000 1.086 1256 R CB -0.027 30.280 30.300 0.012 0.000 1.166 1256 R HN -0.052 nan 8.270 nan 0.000 0.526 1257 P HA 0.049 nan 4.420 nan 0.000 0.277 1257 P C -0.567 176.672 177.300 -0.102 0.000 1.240 1257 P CA -0.473 62.590 63.100 -0.061 0.000 0.798 1257 P CB 1.046 32.705 31.700 -0.069 0.000 0.979 1258 S N 1.099 116.765 115.700 -0.056 0.000 2.614 1258 S HA 0.220 4.690 4.470 0.000 0.000 0.265 1258 S C 0.856 175.385 174.600 -0.119 0.000 1.303 1258 S CA -0.233 57.921 58.200 -0.077 0.000 1.000 1258 S CB -0.081 63.144 63.200 0.042 0.000 0.935 1258 S HN 0.179 nan 8.310 nan 0.000 0.551 1259 F N 0.635 120.584 119.950 -0.001 0.000 2.202 1259 F HA 0.018 4.545 4.527 0.000 0.000 0.301 1259 F C 2.010 177.824 175.800 0.024 0.000 1.082 1259 F CA 0.959 58.915 58.000 -0.073 0.000 1.313 1259 F CB -0.744 38.213 39.000 -0.070 0.000 1.024 1259 F HN 0.472 nan 8.300 nan 0.000 0.495 1260 L N -0.561 120.823 121.223 0.269 0.000 2.093 1260 L HA -0.181 4.159 4.340 0.000 0.000 0.208 1260 L C 2.252 179.258 176.870 0.227 0.000 1.085 1260 L CA 1.319 56.334 54.840 0.292 0.000 0.755 1260 L CB -0.587 41.606 42.059 0.223 0.000 0.904 1260 L HN 0.165 nan 8.230 nan 0.000 0.435 1261 E N 0.262 120.537 120.200 0.124 0.000 2.106 1261 E HA -0.181 4.169 4.350 0.000 0.000 0.192 1261 E C 2.282 178.909 176.600 0.044 0.000 0.984 1261 E CA 0.997 57.443 56.400 0.076 0.000 0.806 1261 E CB -0.017 29.705 29.700 0.037 0.000 0.750 1261 E HN 0.468 nan 8.360 nan 0.000 0.458 1262 I N 1.146 121.732 120.570 0.027 0.000 2.127 1262 I HA -0.308 3.862 4.170 0.000 0.000 0.241 1262 I C 2.407 178.523 176.117 -0.002 0.000 1.075 1262 I CA 1.210 62.517 61.300 0.011 0.000 1.334 1262 I CB -0.330 37.658 38.000 -0.019 0.000 1.040 1262 I HN 0.107 nan 8.210 nan 0.000 0.405 1263 I N 0.081 120.649 120.570 -0.004 0.000 2.099 1263 I HA -0.341 3.829 4.170 0.000 0.000 0.239 1263 I C 2.763 178.734 176.117 -0.243 0.000 1.066 1263 I CA 1.731 62.950 61.300 -0.136 0.000 1.324 1263 I CB -0.534 37.364 38.000 -0.170 0.000 1.037 1263 I HN 0.219 nan 8.210 nan 0.000 0.401 1264 S N 0.461 116.066 115.700 -0.159 0.000 2.465 1264 S HA -0.190 4.280 4.470 0.000 0.000 0.241 1264 S C 2.102 176.676 174.600 -0.043 0.000 1.000 1264 S CA 1.762 59.910 58.200 -0.086 0.000 0.964 1264 S CB -0.425 62.863 63.200 0.147 0.000 0.763 1264 S HN 0.614 nan 8.310 nan 0.000 0.512 1265 S N 0.952 116.630 115.700 -0.038 0.000 2.496 1265 S HA 0.113 4.583 4.470 0.000 0.000 0.224 1265 S C 1.456 176.031 174.600 -0.042 0.000 0.996 1265 S CA 0.462 58.648 58.200 -0.024 0.000 0.927 1265 S CB -0.562 62.630 63.200 -0.013 0.000 0.774 1265 S HN 0.827 nan 8.310 nan 0.000 0.524 1266 I N -1.683 118.839 120.570 -0.079 0.000 4.225 1266 I HA 0.402 4.572 4.170 0.000 0.000 0.327 1266 I C 1.560 177.597 176.117 -0.132 0.000 1.422 1266 I CA -0.394 60.851 61.300 -0.091 0.000 1.150 1266 I CB 0.081 38.025 38.000 -0.093 0.000 1.192 1266 I HN 0.141 nan 8.210 nan 0.000 0.440 1267 K N 1.452 121.768 120.400 -0.140 0.000 2.147 1267 K HA -0.125 4.195 4.320 0.000 0.000 0.205 1267 K C 1.385 177.976 176.600 -0.014 0.000 1.049 1267 K CA 1.778 57.984 56.287 -0.135 0.000 0.936 1267 K CB -0.119 32.294 32.500 -0.145 0.000 0.722 1267 K HN 0.241 nan 8.250 nan 0.000 0.446 1268 E N 0.577 120.776 120.200 -0.001 0.000 2.476 1268 E HA 0.009 4.359 4.350 0.000 0.000 0.191 1268 E C 0.329 176.926 176.600 -0.005 0.000 1.064 1268 E CA 0.260 56.677 56.400 0.029 0.000 0.866 1268 E CB 0.500 30.222 29.700 0.037 0.000 0.952 1268 E HN 0.340 nan 8.360 nan 0.000 0.492 1269 E N -0.766 119.407 120.200 -0.045 0.000 2.548 1269 E HA 0.168 4.518 4.350 0.000 0.000 0.206 1269 E C -0.533 176.017 176.600 -0.082 0.000 1.005 1269 E CA 0.002 56.370 56.400 -0.054 0.000 0.951 1269 E CB 0.335 29.999 29.700 -0.060 0.000 1.035 1269 E HN 0.075 nan 8.360 nan 0.000 0.470 1270 M N 1.441 120.976 119.600 -0.107 0.000 2.318 1270 M HA 0.266 4.746 4.480 0.000 0.000 0.347 1270 M C 0.177 176.459 176.300 -0.030 0.000 1.175 1270 M CA -0.695 54.507 55.300 -0.164 0.000 1.075 1270 M CB 1.058 33.403 32.600 -0.425 0.000 1.614 1270 M HN -0.128 nan 8.290 nan 0.000 0.456 1271 E N 2.658 122.856 120.200 -0.004 0.000 2.508 1271 E HA -0.059 4.291 4.350 0.000 0.000 0.266 1271 E C -1.597 175.067 176.600 0.106 0.000 1.010 1271 E CA -1.067 55.365 56.400 0.053 0.000 0.955 1271 E CB -0.267 29.476 29.700 0.071 0.000 0.946 1271 E HN 0.386 nan 8.360 nan 0.000 0.454 1272 P HA -0.150 nan 4.420 nan 0.000 0.216 1272 P C 1.344 178.704 177.300 0.101 0.000 1.153 1272 P CA 1.863 65.008 63.100 0.076 0.000 0.858 1272 P CB 0.076 31.800 31.700 0.041 0.000 0.789 1273 G N -0.858 108.004 108.800 0.104 0.000 2.507 1273 G HA2 -0.336 3.624 3.960 0.000 0.000 0.221 1273 G HA3 -0.336 3.624 3.960 0.000 0.000 0.221 1273 G C 1.374 176.359 174.900 0.142 0.000 1.119 1273 G CA 0.516 45.670 45.100 0.091 0.000 0.751 1273 G HN 0.148 nan 8.290 nan 0.000 0.574 1274 F N 1.328 121.324 119.950 0.078 0.000 2.085 1274 F HA -0.200 4.327 4.527 0.000 0.000 0.299 1274 F C 2.724 178.634 175.800 0.183 0.000 1.096 1274 F CA 2.126 60.220 58.000 0.157 0.000 1.227 1274 F CB -0.281 38.823 39.000 0.173 0.000 0.983 1274 F HN 0.084 nan 8.300 nan 0.000 0.482 1275 R N 0.140 120.721 120.500 0.136 0.000 2.159 1275 R HA -0.199 4.141 4.340 0.000 0.000 0.237 1275 R C 2.030 178.274 176.300 -0.093 0.000 1.131 1275 R CA 1.778 57.819 56.100 -0.099 0.000 0.982 1275 R CB -0.306 29.802 30.300 -0.321 0.000 0.868 1275 R HN 0.641 nan 8.270 nan 0.000 0.453 1276 E N -0.784 119.369 120.200 -0.078 0.000 2.447 1276 E HA -0.048 4.302 4.350 0.000 0.000 0.195 1276 E C 1.357 177.881 176.600 -0.126 0.000 1.028 1276 E CA 0.752 57.099 56.400 -0.089 0.000 0.876 1276 E CB 0.556 30.209 29.700 -0.077 0.000 0.885 1276 E HN 0.300 nan 8.360 nan 0.000 0.500 1277 V N -1.496 118.308 119.914 -0.183 0.000 3.497 1277 V HA 0.197 4.317 4.120 0.000 0.000 0.272 1277 V C 0.872 176.833 176.094 -0.221 0.000 1.474 1277 V CA 0.029 62.149 62.300 -0.301 0.000 1.025 1277 V CB 0.259 31.658 31.823 -0.707 0.000 0.820 1277 V HN 0.217 nan 8.190 nan 0.000 0.437 1278 S N 0.170 115.739 115.700 -0.219 0.000 2.593 1278 S HA 0.343 4.813 4.470 0.000 0.000 0.269 1278 S C 0.688 175.296 174.600 0.014 0.000 1.334 1278 S CA 0.270 58.353 58.200 -0.195 0.000 1.015 1278 S CB 0.911 63.586 63.200 -0.874 0.000 0.912 1278 S HN 0.515 nan 8.310 nan 0.000 0.541 1279 F N 1.877 121.844 119.950 0.029 0.000 2.206 1279 F HA 0.017 4.544 4.527 0.000 0.000 0.298 1279 F C 1.945 177.792 175.800 0.077 0.000 1.090 1279 F CA 1.025 59.077 58.000 0.086 0.000 1.323 1279 F CB -0.804 38.306 39.000 0.183 0.000 1.028 1279 F HN 0.816 nan 8.300 nan 0.000 0.492 1280 Y N 0.081 120.212 120.300 -0.281 0.000 2.102 1280 Y HA -0.330 4.220 4.550 0.000 0.000 0.280 1280 Y C 1.172 176.777 175.900 -0.491 0.000 1.178 1280 Y CA 2.264 60.099 58.100 -0.441 0.000 1.146 1280 Y CB -0.780 37.494 38.460 -0.311 0.000 0.968 1280 Y HN 0.176 nan 8.280 nan 0.000 0.504 1281 Y N 0.399 120.652 120.300 -0.077 0.000 2.718 1281 Y HA 0.189 4.739 4.550 0.000 0.000 0.322 1281 Y C 0.770 176.585 175.900 -0.142 0.000 1.122 1281 Y CA -0.411 57.638 58.100 -0.086 0.000 1.348 1281 Y CB -0.104 38.349 38.460 -0.011 0.000 1.174 1281 Y HN 0.016 nan 8.280 nan 0.000 0.523 1282 S N -1.690 113.941 115.700 -0.115 0.000 2.745 1282 S HA 0.258 4.728 4.470 0.000 0.000 0.292 1282 S C 0.961 175.509 174.600 -0.087 0.000 1.133 1282 S CA -0.806 57.353 58.200 -0.068 0.000 0.998 1282 S CB 1.474 64.661 63.200 -0.021 0.000 1.087 1282 S HN 0.183 nan 8.310 nan 0.000 0.551 1283 E N 0.990 121.177 120.200 -0.022 0.000 2.158 1283 E HA -0.067 4.283 4.350 0.000 0.000 0.191 1283 E C 1.753 178.352 176.600 -0.002 0.000 0.982 1283 E CA 1.018 57.410 56.400 -0.013 0.000 0.823 1283 E CB -0.440 29.268 29.700 0.012 0.000 0.766 1283 E HN 0.846 nan 8.360 nan 0.000 0.468 1284 E N 1.120 121.354 120.200 0.056 0.000 2.267 1284 E HA -0.166 4.184 4.350 0.000 0.000 0.197 1284 E C 0.821 177.469 176.600 0.080 0.000 0.998 1284 E CA 0.598 57.081 56.400 0.138 0.000 0.830 1284 E CB -0.282 29.624 29.700 0.344 0.000 0.751 1284 E HN -0.028 nan 8.360 nan 0.000 0.491 1285 N N 1.366 119.981 118.700 -0.141 0.000 3.105 1285 N HA 0.041 4.781 4.740 0.000 0.000 0.256 1285 N C -1.170 174.212 175.510 -0.215 0.000 1.174 1285 N CA -0.255 52.613 53.050 -0.303 0.000 1.030 1285 N CB -0.024 37.942 38.487 -0.868 0.000 1.305 1285 N HN 0.083 nan 8.380 nan 0.000 0.509 1286 K N 0.000 120.342 120.400 -0.097 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1286 K CA 0.000 56.240 56.287 -0.079 0.000 0.838 1286 K CB 0.000 32.452 32.500 -0.080 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543