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_M DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXAPPSL 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 YYSEEN 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 0.000 174.693 174.600 0.155 0.000 1.055 980 S CA 0.000 58.265 58.200 0.108 0.000 1.107 980 S CB 0.000 63.246 63.200 0.077 0.000 0.593 981 F N 2.889 122.851 119.950 0.019 0.000 2.384 981 F HA 0.710 5.237 4.527 -0.000 0.000 0.338 981 F C 0.785 176.603 175.800 0.031 0.000 1.103 981 F CA 0.527 58.543 58.000 0.026 0.000 1.157 981 F CB 1.087 40.102 39.000 0.025 0.000 1.167 981 F HN 0.831 nan 8.300 nan 0.000 0.529 982 S N 2.285 117.847 115.700 -0.229 0.000 2.643 982 S HA 0.638 5.108 4.470 -0.000 0.000 0.270 982 S C 0.245 174.745 174.600 -0.165 0.000 1.166 982 S CA -0.457 57.683 58.200 -0.100 0.000 0.815 982 S CB 1.038 64.201 63.200 -0.061 0.000 1.139 982 S HN 0.792 nan 8.310 nan 0.000 0.472 983 A N 0.678 123.467 122.820 -0.052 0.000 2.024 983 A HA 0.179 4.499 4.320 -0.000 0.000 0.220 983 A C 2.242 179.846 177.584 0.032 0.000 1.164 983 A CA 2.099 54.147 52.037 0.018 0.000 0.643 983 A CB -1.574 17.327 19.000 -0.164 0.000 0.806 983 A HN 1.530 nan 8.150 nan 0.000 0.451 984 A N 0.167 122.949 122.820 -0.063 0.000 1.978 984 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 984 A C 1.643 179.176 177.584 -0.085 0.000 1.170 984 A CA 1.949 53.955 52.037 -0.052 0.000 0.636 984 A CB -0.690 18.279 19.000 -0.050 0.000 0.810 984 A HN 0.559 nan 8.150 nan 0.000 0.448 985 D N -1.258 119.005 120.400 -0.229 0.000 2.219 985 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 985 D C 1.754 177.928 176.300 -0.211 0.000 0.970 985 D CA 1.325 55.134 54.000 -0.318 0.000 0.851 985 D CB 0.147 40.485 40.800 -0.771 0.000 0.943 985 D HN 0.378 nan 8.370 nan 0.000 0.488 986 V N -1.478 118.354 119.914 -0.136 0.000 3.048 986 V HA 0.036 4.156 4.120 -0.000 0.000 0.241 986 V C 0.871 176.894 176.094 -0.119 0.000 1.129 986 V CA 0.404 62.642 62.300 -0.103 0.000 1.128 986 V CB -0.399 31.357 31.823 -0.111 0.000 0.849 986 V HN 0.143 nan 8.190 nan 0.000 0.475 987 Y N 1.871 122.123 120.300 -0.080 0.000 2.502 987 Y HA 0.384 4.934 4.550 -0.000 0.000 0.295 987 Y C 0.805 176.651 175.900 -0.089 0.000 1.193 987 Y CA 0.568 58.622 58.100 -0.076 0.000 1.295 987 Y CB 0.421 38.827 38.460 -0.090 0.000 1.059 987 Y HN 0.299 nan 8.280 nan 0.000 0.514 988 V N -1.914 118.026 119.914 0.045 0.000 2.444 988 V HA 0.561 4.681 4.120 -0.000 0.000 0.294 988 V C -2.812 173.331 176.094 0.081 0.000 1.022 988 V CA -3.231 59.085 62.300 0.026 0.000 0.850 988 V CB 1.245 33.077 31.823 0.015 0.000 0.992 988 V HN -0.170 nan 8.190 nan 0.000 0.426 989 P HA 0.073 nan 4.420 nan 0.000 0.264 989 P C 0.027 177.421 177.300 0.157 0.000 1.183 989 P CA 0.223 63.441 63.100 0.196 0.000 0.763 989 P CB 0.341 32.274 31.700 0.388 0.000 0.807 990 D N 3.289 123.729 120.400 0.066 0.000 2.817 990 D HA -0.097 4.543 4.640 -0.000 0.000 0.226 990 D C 0.476 176.766 176.300 -0.018 0.000 1.080 990 D CA 0.483 54.499 54.000 0.026 0.000 1.114 990 D CB -0.545 40.260 40.800 0.008 0.000 1.159 990 D HN 0.608 nan 8.370 nan 0.000 0.449 991 E N -0.467 119.711 120.200 -0.036 0.000 2.574 991 E HA -0.014 4.336 4.350 -0.000 0.000 0.116 991 E C -0.096 176.212 176.600 -0.487 0.000 0.812 991 E CA -0.380 55.881 56.400 -0.230 0.000 1.417 991 E CB -1.185 28.348 29.700 -0.278 0.000 0.987 991 E HN 0.230 nan 8.360 nan 0.000 0.452 992 W N 1.813 123.091 121.300 -0.037 0.000 2.324 992 W HA 0.326 4.986 4.660 -0.000 0.000 0.316 992 W C 0.635 177.132 176.519 -0.035 0.000 0.927 992 W CA -0.308 57.012 57.345 -0.041 0.000 1.438 992 W CB 0.970 30.396 29.460 -0.057 0.000 1.085 992 W HN 0.048 nan 8.180 nan 0.000 0.532 993 E N 1.875 122.154 120.200 0.133 0.000 2.404 993 E HA 0.292 4.642 4.350 -0.000 0.000 0.261 993 E C -0.284 176.345 176.600 0.048 0.000 1.074 993 E CA 0.012 56.459 56.400 0.079 0.000 0.917 993 E CB 1.217 30.943 29.700 0.044 0.000 0.965 993 E HN -0.098 nan 8.360 nan 0.000 0.433 994 V N 0.110 120.048 119.914 0.040 0.000 3.147 994 V HA 0.809 4.929 4.120 -0.000 0.000 0.306 994 V C -1.008 175.097 176.094 0.018 0.000 1.209 994 V CA -0.410 61.904 62.300 0.025 0.000 1.023 994 V CB 1.467 33.310 31.823 0.033 0.000 1.059 994 V HN 0.823 nan 8.190 nan 0.000 0.435 995 A N 3.766 126.592 122.820 0.010 0.000 2.354 995 A HA 0.616 4.936 4.320 -0.000 0.000 0.269 995 A C 1.150 178.738 177.584 0.006 0.000 1.109 995 A CA -0.143 51.898 52.037 0.007 0.000 0.800 995 A CB 0.520 19.522 19.000 0.003 0.000 1.045 995 A HN 1.051 nan 8.150 nan 0.000 0.489 996 R N 1.819 122.321 120.500 0.003 0.000 2.083 996 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 996 R C 1.533 177.831 176.300 -0.005 0.000 1.137 996 R CA 1.605 57.704 56.100 -0.002 0.000 0.951 996 R CB -0.584 29.711 30.300 -0.008 0.000 0.851 996 R HN 0.934 nan 8.270 nan 0.000 0.434 997 E N 2.230 122.427 120.200 -0.004 0.000 2.301 997 E HA -0.293 4.057 4.350 -0.000 0.000 0.202 997 E C 1.662 178.260 176.600 -0.003 0.000 1.017 997 E CA 1.840 58.237 56.400 -0.005 0.000 0.831 997 E CB -0.262 29.436 29.700 -0.003 0.000 0.742 997 E HN 0.488 nan 8.360 nan 0.000 0.491 998 K N 0.420 120.820 120.400 -0.001 0.000 2.374 998 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 998 K C 0.218 176.820 176.600 0.004 0.000 1.023 998 K CA -0.058 56.230 56.287 0.002 0.000 1.103 998 K CB 0.447 32.949 32.500 0.003 0.000 0.848 998 K HN -0.026 nan 8.250 nan 0.000 0.528 999 I N 2.125 122.696 120.570 0.001 0.000 2.441 999 I HA 0.186 4.356 4.170 -0.000 0.000 0.295 999 I C -0.264 175.848 176.117 -0.009 0.000 0.994 999 I CA -0.525 60.776 61.300 0.002 0.000 1.144 999 I CB 1.475 39.478 38.000 0.004 0.000 1.314 999 I HN 0.107 nan 8.210 nan 0.000 0.445 1000 T N 5.373 119.923 114.554 -0.006 0.000 2.928 1000 T HA 0.665 5.015 4.350 -0.000 0.000 0.296 1000 T C -0.631 174.062 174.700 -0.012 0.000 1.000 1000 T CA -0.840 61.251 62.100 -0.015 0.000 0.989 1000 T CB 1.180 70.044 68.868 -0.007 0.000 1.005 1000 T HN 0.425 nan 8.240 nan 0.000 0.442 1001 M N 3.665 123.240 119.600 -0.041 0.000 2.363 1001 M HA 0.442 4.921 4.480 -0.000 0.000 0.343 1001 M C 1.145 177.448 176.300 0.005 0.000 1.165 1001 M CA -1.026 54.256 55.300 -0.030 0.000 1.046 1001 M CB 1.872 34.367 32.600 -0.175 0.000 1.648 1001 M HN 0.870 nan 8.290 nan 0.000 0.452 1002 S N 2.834 118.578 115.700 0.074 0.000 2.650 1002 S HA 0.305 4.775 4.470 -0.000 0.000 0.182 1002 S C 0.393 175.079 174.600 0.145 0.000 0.832 1002 S CA -0.083 58.164 58.200 0.079 0.000 0.860 1002 S CB 0.218 63.455 63.200 0.061 0.000 0.818 1002 S HN 0.800 nan 8.310 nan 0.000 0.600 1003 R N 1.904 122.509 120.500 0.174 0.000 2.744 1003 R HA 0.518 4.858 4.340 -0.000 0.000 0.279 1003 R C -1.051 175.318 176.300 0.115 0.000 0.977 1003 R CA -0.797 55.406 56.100 0.172 0.000 0.906 1003 R CB 0.418 30.763 30.300 0.075 0.000 1.197 1003 R HN 0.405 nan 8.270 nan 0.000 0.463 1004 E N 3.173 123.324 120.200 -0.081 0.000 2.481 1004 E HA -0.080 4.270 4.350 -0.000 0.000 0.263 1004 E C -0.106 176.359 176.600 -0.225 0.000 0.992 1004 E CA 0.139 56.242 56.400 -0.496 0.000 0.938 1004 E CB 0.614 29.947 29.700 -0.613 0.000 0.933 1004 E HN 0.707 nan 8.360 nan 0.000 0.453 1005 L N 0.935 122.026 121.223 -0.220 0.000 2.408 1005 L HA 0.240 4.580 4.340 -0.000 0.000 0.215 1005 L C 1.206 178.009 176.870 -0.112 0.000 1.081 1005 L CA 0.902 55.675 54.840 -0.111 0.000 0.840 1005 L CB 0.151 42.173 42.059 -0.061 0.000 1.002 1005 L HN 0.860 nan 8.230 nan 0.000 0.468 1006 G N -1.036 107.670 108.800 -0.157 0.000 2.343 1006 G HA2 0.092 4.052 3.960 -0.000 0.000 0.289 1006 G HA3 0.092 4.052 3.960 -0.000 0.000 0.289 1006 G C -1.858 172.970 174.900 -0.120 0.000 1.295 1006 G CA -0.749 44.279 45.100 -0.120 0.000 0.869 1006 G HN -0.180 nan 8.290 nan 0.000 0.522 1007 Q N -0.549 119.199 119.800 -0.086 0.000 2.259 1007 Q HA 0.612 4.952 4.340 -0.000 0.000 0.249 1007 Q C 0.427 176.391 176.000 -0.060 0.000 0.914 1007 Q CA 0.741 56.499 55.803 -0.075 0.000 0.904 1007 Q CB 1.467 30.165 28.738 -0.066 0.000 1.213 1007 Q HN 1.071 nan 8.270 nan 0.000 0.428 1008 G N 0.047 108.815 108.800 -0.053 0.000 2.569 1008 G HA2 0.362 4.322 3.960 -0.000 0.000 0.300 1008 G HA3 0.362 4.322 3.960 -0.000 0.000 0.300 1008 G C 0.491 175.348 174.900 -0.071 0.000 1.269 1008 G CA -0.220 44.860 45.100 -0.034 0.000 0.959 1008 G HN 0.744 nan 8.290 nan 0.000 0.478 1009 S N -0.102 115.548 115.700 -0.083 0.000 2.399 1009 S HA -0.242 4.228 4.470 -0.000 0.000 0.235 1009 S C 1.323 175.640 174.600 -0.472 0.000 1.063 1009 S CA 2.021 60.051 58.200 -0.284 0.000 1.070 1009 S CB -0.392 62.627 63.200 -0.303 0.000 0.904 1009 S HN 0.435 nan 8.310 nan 0.000 0.456 1010 F N 1.495 121.346 119.950 -0.164 0.000 2.746 1010 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 1010 F C 1.246 176.868 175.800 -0.298 0.000 1.097 1010 F CA 0.003 57.828 58.000 -0.292 0.000 1.195 1010 F CB 1.312 39.946 39.000 -0.610 0.000 1.056 1010 F HN 0.586 nan 8.300 nan 0.000 0.562 1011 G N 0.036 108.796 108.800 -0.068 0.000 2.341 1011 G HA2 0.392 4.352 3.960 -0.000 0.000 0.299 1011 G HA3 0.392 4.352 3.960 -0.000 0.000 0.299 1011 G C -1.933 172.951 174.900 -0.026 0.000 1.274 1011 G CA -0.980 44.084 45.100 -0.059 0.000 0.853 1011 G HN -0.100 nan 8.290 nan 0.000 0.493 1012 M N 0.923 120.530 119.600 0.011 0.000 2.300 1012 M HA 0.703 5.183 4.480 -0.000 0.000 0.348 1012 M C -0.702 175.612 176.300 0.023 0.000 1.151 1012 M CA -0.483 54.810 55.300 -0.011 0.000 1.046 1012 M CB 1.763 34.361 32.600 -0.004 0.000 1.647 1012 M HN 0.350 nan 8.290 nan 0.000 0.451 1013 V N 5.936 125.805 119.914 -0.074 0.000 2.472 1013 V HA 0.430 4.550 4.120 -0.000 0.000 0.290 1013 V C -0.981 175.027 176.094 -0.144 0.000 1.037 1013 V CA -0.420 61.875 62.300 -0.009 0.000 0.908 1013 V CB 0.970 32.794 31.823 0.001 0.000 0.985 1013 V HN 0.798 nan 8.190 nan 0.000 0.454 1014 Y N 1.482 121.791 120.300 0.016 0.000 2.562 1014 Y HA 0.474 5.024 4.550 -0.000 0.000 0.343 1014 Y C 0.336 176.244 175.900 0.014 0.000 1.025 1014 Y CA -0.759 57.348 58.100 0.012 0.000 1.082 1014 Y CB 1.724 40.191 38.460 0.011 0.000 1.264 1014 Y HN 0.629 nan 8.280 nan 0.000 0.478 1015 E N 0.803 121.103 120.200 0.168 0.000 2.313 1015 E HA 0.633 4.983 4.350 -0.000 0.000 0.272 1015 E C -0.480 176.186 176.600 0.110 0.000 1.038 1015 E CA -0.320 56.142 56.400 0.104 0.000 0.863 1015 E CB 1.098 30.835 29.700 0.062 0.000 1.060 1015 E HN 0.867 nan 8.360 nan 0.000 0.402 1016 G N 1.028 109.872 108.800 0.073 0.000 2.606 1016 G HA2 0.434 4.394 3.960 -0.000 0.000 0.300 1016 G HA3 0.434 4.394 3.960 -0.000 0.000 0.300 1016 G C -1.586 173.336 174.900 0.037 0.000 1.360 1016 G CA -0.565 44.566 45.100 0.053 0.000 0.783 1016 G HN 0.433 nan 8.290 nan 0.000 0.484 1017 V N 0.255 120.185 119.914 0.027 0.000 2.487 1017 V HA 0.723 4.843 4.120 -0.000 0.000 0.298 1017 V C 0.292 176.397 176.094 0.019 0.000 1.028 1017 V CA -0.576 61.737 62.300 0.021 0.000 0.860 1017 V CB 1.330 33.163 31.823 0.017 0.000 0.991 1017 V HN 1.344 nan 8.190 nan 0.000 0.427 1018 A N 4.625 127.458 122.820 0.021 0.000 2.260 1018 A HA 0.561 4.881 4.320 -0.000 0.000 0.312 1018 A C 0.185 177.777 177.584 0.014 0.000 1.321 1018 A CA -0.623 51.426 52.037 0.019 0.000 0.928 1018 A CB 0.020 19.036 19.000 0.026 0.000 1.158 1018 A HN 0.851 nan 8.150 nan 0.000 0.542 1019 K N 1.862 122.268 120.400 0.010 0.000 2.451 1019 K HA 0.312 4.632 4.320 -0.000 0.000 0.280 1019 K C 0.944 177.547 176.600 0.005 0.000 1.020 1019 K CA 0.722 57.012 56.287 0.006 0.000 1.008 1019 K CB 0.352 32.854 32.500 0.004 0.000 0.917 1019 K HN 1.141 nan 8.250 nan 0.000 0.478 1020 G N 1.893 110.695 108.800 0.003 0.000 2.203 1020 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.227 1020 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.227 1020 G C 0.444 175.343 174.900 -0.000 0.000 0.477 1020 G CA 0.578 45.678 45.100 -0.000 0.000 1.025 1020 G HN 0.608 nan 8.290 nan 0.000 0.388 1021 V N -0.598 119.318 119.914 0.003 0.000 3.426 1021 V HA 0.557 4.676 4.120 -0.000 0.000 0.279 1021 V C 0.833 176.927 176.094 -0.001 0.000 1.544 1021 V CA 0.715 63.017 62.300 0.003 0.000 1.017 1021 V CB 0.255 32.089 31.823 0.019 0.000 0.821 1021 V HN 1.264 nan 8.190 nan 0.000 0.432 1022 V N 1.046 120.961 119.914 0.001 0.000 2.715 1022 V HA 0.560 4.680 4.120 -0.000 0.000 0.310 1022 V C -0.056 176.033 176.094 -0.008 0.000 1.054 1022 V CA -0.819 61.481 62.300 -0.001 0.000 0.928 1022 V CB 2.048 33.877 31.823 0.010 0.000 1.007 1022 V HN 0.387 nan 8.190 nan 0.000 0.437 1023 K N 3.229 123.621 120.400 -0.013 0.000 2.436 1023 K HA 0.118 4.438 4.320 -0.000 0.000 0.275 1023 K C -0.022 176.571 176.600 -0.012 0.000 0.999 1023 K CA 0.586 56.863 56.287 -0.016 0.000 0.980 1023 K CB 0.052 32.540 32.500 -0.021 0.000 0.919 1023 K HN 0.890 nan 8.250 nan 0.000 0.484 1024 D N 2.184 122.577 120.400 -0.012 0.000 2.702 1024 D HA -0.194 4.446 4.640 -0.000 0.000 0.233 1024 D C -0.440 175.856 176.300 -0.007 0.000 1.164 1024 D CA 1.222 55.216 54.000 -0.010 0.000 0.638 1024 D CB -0.609 40.184 40.800 -0.012 0.000 1.041 1024 D HN 0.500 nan 8.370 nan 0.000 0.422 1025 E N -0.978 119.219 120.200 -0.004 0.000 2.738 1025 E HA 0.126 4.476 4.350 -0.000 0.000 0.347 1025 E C -2.002 174.598 176.600 0.001 0.000 1.077 1025 E CA -1.372 55.028 56.400 -0.000 0.000 0.755 1025 E CB 1.490 31.192 29.700 0.002 0.000 1.576 1025 E HN -0.115 nan 8.360 nan 0.000 0.379 1026 P HA -0.141 nan 4.420 nan 0.000 0.214 1026 P C -0.187 177.115 177.300 0.004 0.000 1.169 1026 P CA 1.373 64.473 63.100 0.001 0.000 0.908 1026 P CB 0.459 32.161 31.700 0.002 0.000 0.791 1027 E N -2.080 118.123 120.200 0.006 0.000 2.293 1027 E HA 0.413 4.763 4.350 -0.000 0.000 0.270 1027 E C -0.993 175.614 176.600 0.012 0.000 0.879 1027 E CA -0.506 55.899 56.400 0.009 0.000 0.756 1027 E CB 2.022 31.727 29.700 0.009 0.000 1.208 1027 E HN -0.161 nan 8.360 nan 0.000 0.428 1028 T N 2.063 116.626 114.554 0.015 0.000 2.841 1028 T HA 0.393 4.743 4.350 -0.000 0.000 0.283 1028 T C -0.355 174.358 174.700 0.021 0.000 1.000 1028 T CA -0.789 61.322 62.100 0.018 0.000 0.977 1028 T CB 1.118 69.999 68.868 0.022 0.000 0.979 1028 T HN 0.237 nan 8.240 nan 0.000 0.446 1029 R N 1.881 122.393 120.500 0.020 0.000 2.267 1029 R HA 0.556 4.896 4.340 -0.000 0.000 0.319 1029 R C -0.100 176.215 176.300 0.025 0.000 1.067 1029 R CA -0.445 55.667 56.100 0.020 0.000 0.936 1029 R CB 0.528 30.836 30.300 0.014 0.000 1.006 1029 R HN 0.524 nan 8.270 nan 0.000 0.452 1030 V N -0.778 119.155 119.914 0.032 0.000 3.040 1030 V HA 0.851 4.971 4.120 -0.000 0.000 0.312 1030 V C -0.435 175.688 176.094 0.048 0.000 1.115 1030 V CA -1.336 60.988 62.300 0.040 0.000 0.998 1030 V CB 2.000 33.850 31.823 0.045 0.000 1.042 1030 V HN 0.759 nan 8.190 nan 0.000 0.433 1031 A N 3.595 126.447 122.820 0.053 0.000 2.290 1031 A HA 0.857 5.177 4.320 -0.000 0.000 0.310 1031 A C -0.363 177.273 177.584 0.087 0.000 1.202 1031 A CA -0.630 51.448 52.037 0.067 0.000 0.837 1031 A CB 0.330 19.363 19.000 0.055 0.000 1.139 1031 A HN 0.872 nan 8.150 nan 0.000 0.509 1032 I N 1.718 122.358 120.570 0.117 0.000 2.389 1032 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 1032 I C -0.139 176.081 176.117 0.171 0.000 0.999 1032 I CA -0.690 60.686 61.300 0.127 0.000 1.129 1032 I CB 1.383 39.446 38.000 0.106 0.000 1.288 1032 I HN 0.742 nan 8.210 nan 0.000 0.444 1033 K N 4.719 125.214 120.400 0.158 0.000 2.183 1033 K HA 0.475 4.795 4.320 -0.000 0.000 0.274 1033 K C -0.162 176.520 176.600 0.138 0.000 1.009 1033 K CA -0.225 56.162 56.287 0.166 0.000 0.888 1033 K CB 1.144 33.765 32.500 0.202 0.000 1.078 1033 K HN 0.790 nan 8.250 nan 0.000 0.459 1034 T N 0.665 115.292 114.554 0.121 0.000 2.758 1034 T HA 0.443 4.793 4.350 -0.000 0.000 0.285 1034 T C -0.527 174.168 174.700 -0.008 0.000 0.981 1034 T CA -0.906 61.230 62.100 0.061 0.000 0.965 1034 T CB 1.007 69.913 68.868 0.064 0.000 0.927 1034 T HN 0.197 nan 8.240 nan 0.000 0.448 1035 V N 5.158 125.043 119.914 -0.048 0.000 2.277 1035 V HA 0.314 4.434 4.120 -0.000 0.000 0.269 1035 V C 0.772 176.829 176.094 -0.061 0.000 1.036 1035 V CA -1.240 60.985 62.300 -0.125 0.000 0.821 1035 V CB -0.626 31.068 31.823 -0.215 0.000 1.052 1035 V HN 1.071 nan 8.190 nan 0.000 0.462 1036 N N 2.552 121.226 118.700 -0.042 0.000 2.288 1036 N HA 0.086 4.825 4.740 -0.000 0.000 0.237 1036 N C 1.013 176.509 175.510 -0.024 0.000 1.311 1036 N CA -0.074 52.963 53.050 -0.022 0.000 0.909 1036 N CB 0.747 39.228 38.487 -0.010 0.000 1.167 1036 N HN 0.721 nan 8.380 nan 0.000 0.476 1037 E N -0.757 119.435 120.200 -0.014 0.000 2.208 1037 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 1037 E C 1.220 177.815 176.600 -0.009 0.000 0.988 1037 E CA 0.770 57.163 56.400 -0.011 0.000 0.828 1037 E CB -0.187 29.511 29.700 -0.003 0.000 0.763 1037 E HN 0.647 nan 8.360 nan 0.000 0.478 1038 A N 0.978 123.792 122.820 -0.009 0.000 2.150 1038 A HA 0.384 4.704 4.320 -0.000 0.000 0.220 1038 A C 0.651 178.229 177.584 -0.009 0.000 1.356 1038 A CA 0.499 52.532 52.037 -0.007 0.000 1.145 1038 A CB -0.845 18.152 19.000 -0.005 0.000 0.826 1038 A HN 0.376 nan 8.150 nan 0.000 0.524 1039 A N 0.523 123.334 122.820 -0.014 0.000 2.317 1039 A HA 0.615 4.935 4.320 -0.000 0.000 0.327 1039 A C 0.614 178.192 177.584 -0.010 0.000 1.178 1039 A CA -0.150 51.879 52.037 -0.014 0.000 0.817 1039 A CB 0.453 19.433 19.000 -0.034 0.000 1.189 1039 A HN 0.804 nan 8.150 nan 0.000 0.489 1040 S N 2.541 118.241 115.700 -0.000 0.000 2.563 1040 S HA 0.067 4.537 4.470 -0.000 0.000 0.284 1040 S C 1.149 175.740 174.600 -0.016 0.000 1.331 1040 S CA 0.252 58.452 58.200 -0.001 0.000 1.047 1040 S CB 0.213 63.418 63.200 0.008 0.000 0.859 1040 S HN 0.846 nan 8.310 nan 0.000 0.514 1041 M N 1.585 121.174 119.600 -0.019 0.000 2.213 1041 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 1041 M C 2.430 178.689 176.300 -0.068 0.000 1.062 1041 M CA 1.420 56.694 55.300 -0.043 0.000 1.105 1041 M CB -0.183 32.403 32.600 -0.024 0.000 1.385 1041 M HN 0.839 nan 8.290 nan 0.000 0.417 1042 R N 0.615 121.092 120.500 -0.037 0.000 2.083 1042 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 1042 R C 1.756 178.041 176.300 -0.026 0.000 1.137 1042 R CA 1.927 58.007 56.100 -0.033 0.000 0.951 1042 R CB -0.716 29.582 30.300 -0.003 0.000 0.851 1042 R HN 0.508 nan 8.270 nan 0.000 0.434 1043 E N 0.370 120.575 120.200 0.009 0.000 2.077 1043 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 1043 E C 2.125 178.706 176.600 -0.032 0.000 0.989 1043 E CA 0.978 57.417 56.400 0.064 0.000 0.800 1043 E CB -0.170 29.593 29.700 0.106 0.000 0.746 1043 E HN 0.328 nan 8.360 nan 0.000 0.452 1044 R N 0.482 120.939 120.500 -0.071 0.000 2.148 1044 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 1044 R C 2.258 178.461 176.300 -0.161 0.000 1.103 1044 R CA 0.680 56.724 56.100 -0.092 0.000 0.983 1044 R CB 0.011 30.262 30.300 -0.081 0.000 0.874 1044 R HN 0.142 nan 8.270 nan 0.000 0.451 1045 I N 0.297 120.722 120.570 -0.241 0.000 2.584 1045 I HA -0.121 4.048 4.170 -0.000 0.000 0.255 1045 I C 1.838 177.794 176.117 -0.269 0.000 1.145 1045 I CA 0.701 61.762 61.300 -0.398 0.000 1.462 1045 I CB -0.162 37.527 38.000 -0.518 0.000 1.102 1045 I HN 0.191 nan 8.210 nan 0.000 0.433 1046 E N 0.792 120.893 120.200 -0.165 0.000 2.072 1046 E HA -0.216 4.134 4.350 -0.000 0.000 0.190 1046 E C 2.064 178.535 176.600 -0.214 0.000 0.982 1046 E CA 1.185 57.523 56.400 -0.104 0.000 0.803 1046 E CB -0.256 29.466 29.700 0.036 0.000 0.755 1046 E HN 0.387 nan 8.360 nan 0.000 0.453 1047 F N 1.358 120.934 119.950 -0.624 0.000 2.216 1047 F HA -0.160 4.366 4.527 -0.000 0.000 0.300 1047 F C 1.923 177.412 175.800 -0.518 0.000 1.085 1047 F CA 0.826 58.210 58.000 -1.027 0.000 1.326 1047 F CB 0.022 38.221 39.000 -1.334 0.000 1.027 1047 F HN -0.046 nan 8.300 nan 0.000 0.497 1048 L N -0.027 120.907 121.223 -0.481 0.000 2.446 1048 L HA 0.075 4.415 4.340 -0.000 0.000 0.219 1048 L C 1.635 178.296 176.870 -0.348 0.000 1.116 1048 L CA 1.207 55.773 54.840 -0.457 0.000 0.844 1048 L CB -1.001 40.894 42.059 -0.273 0.000 0.970 1048 L HN 0.158 nan 8.230 nan 0.000 0.457 1049 N N -1.316 117.218 118.700 -0.277 0.000 2.388 1049 N HA -0.100 4.640 4.740 -0.000 0.000 0.176 1049 N C 1.489 176.873 175.510 -0.210 0.000 1.062 1049 N CA 0.275 53.213 53.050 -0.186 0.000 0.895 1049 N CB 0.450 38.880 38.487 -0.095 0.000 1.018 1049 N HN 0.337 nan 8.380 nan 0.000 0.456 1050 E N 1.307 121.364 120.200 -0.238 0.000 2.106 1050 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 1050 E C 1.813 178.241 176.600 -0.287 0.000 0.984 1050 E CA 0.963 57.248 56.400 -0.192 0.000 0.806 1050 E CB 0.063 29.701 29.700 -0.103 0.000 0.750 1050 E HN 0.319 nan 8.360 nan 0.000 0.458 1051 A N 0.146 122.705 122.820 -0.434 0.000 1.968 1051 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 1051 A C 2.297 179.571 177.584 -0.516 0.000 1.169 1051 A CA 1.172 52.919 52.037 -0.483 0.000 0.638 1051 A CB -0.370 18.268 19.000 -0.603 0.000 0.812 1051 A HN 0.239 nan 8.150 nan 0.000 0.446 1052 S N -0.430 115.002 115.700 -0.446 0.000 2.440 1052 S HA -0.114 4.355 4.470 -0.000 0.000 0.238 1052 S C 1.721 176.046 174.600 -0.459 0.000 1.010 1052 S CA 1.490 59.429 58.200 -0.435 0.000 0.972 1052 S CB -0.278 62.764 63.200 -0.263 0.000 0.774 1052 S HN 0.413 nan 8.310 nan 0.000 0.501 1053 V N 1.301 120.939 119.914 -0.459 0.000 2.725 1053 V HA -0.036 4.084 4.120 -0.000 0.000 0.247 1053 V C 2.227 177.677 176.094 -1.072 0.000 1.058 1053 V CA 0.764 62.706 62.300 -0.596 0.000 1.080 1053 V CB -0.580 30.989 31.823 -0.424 0.000 0.713 1053 V HN 0.437 nan 8.190 nan 0.000 0.465 1054 M N 1.069 120.163 119.600 -0.843 0.000 2.115 1054 M HA -0.247 4.233 4.480 -0.000 0.000 0.258 1054 M C 2.711 178.525 176.300 -0.811 0.000 1.071 1054 M CA 2.875 57.677 55.300 -0.829 0.000 1.100 1054 M CB -1.466 30.871 32.600 -0.438 0.000 1.292 1054 M HN 0.468 nan 8.290 nan 0.000 0.415 1055 K N 0.700 120.634 120.400 -0.776 0.000 2.091 1055 K HA -0.341 3.979 4.320 -0.000 0.000 0.225 1055 K C 1.706 178.191 176.600 -0.192 0.000 1.028 1055 K CA 2.923 58.759 56.287 -0.751 0.000 0.965 1055 K CB -1.991 29.919 32.500 -0.984 0.000 0.786 1055 K HN 0.577 nan 8.250 nan 0.000 0.459 1056 E N -0.662 119.337 120.200 -0.335 0.000 2.119 1056 E HA -0.150 4.200 4.350 -0.000 0.000 0.221 1056 E C 0.405 177.034 176.600 0.047 0.000 1.062 1056 E CA 1.800 58.096 56.400 -0.173 0.000 0.894 1056 E CB -0.446 29.038 29.700 -0.360 0.000 0.785 1056 E HN 0.608 nan 8.360 nan 0.000 0.472 1057 F N 0.853 120.777 119.950 -0.042 0.000 2.541 1057 F HA 0.150 4.677 4.527 -0.000 0.000 0.378 1057 F C 0.678 176.544 175.800 0.109 0.000 1.068 1057 F CA 0.010 58.079 58.000 0.114 0.000 1.199 1057 F CB -0.237 38.725 39.000 -0.063 0.000 1.091 1057 F HN 0.052 nan 8.300 nan 0.000 0.555 1058 N N 2.799 121.695 118.700 0.327 0.000 2.765 1058 N HA 0.273 5.013 4.740 -0.000 0.000 0.277 1058 N C -1.562 173.808 175.510 -0.233 0.000 1.750 1058 N CA -0.166 52.928 53.050 0.074 0.000 0.827 1058 N CB 0.442 39.007 38.487 0.130 0.000 1.200 1058 N HN 0.666 nan 8.380 nan 0.000 0.494 1059 C N 0.939 120.006 119.300 -0.389 0.000 2.493 1059 C HA 0.354 4.814 4.460 -0.000 0.000 0.326 1059 C C 1.726 176.605 174.990 -0.185 0.000 1.200 1059 C CA -0.368 58.341 59.018 -0.514 0.000 1.739 1059 C CB 0.946 28.142 27.740 -0.906 0.000 2.300 1059 C HN 0.772 nan 8.230 nan 0.000 0.500 1060 H N 0.970 119.881 119.070 -0.264 0.000 2.491 1060 H HA 0.019 4.575 4.556 -0.000 0.000 0.290 1060 H C 1.004 176.114 175.328 -0.364 0.000 1.050 1060 H CA 2.135 57.990 56.048 -0.320 0.000 1.309 1060 H CB -0.102 29.404 29.762 -0.427 0.000 1.392 1060 H HN 0.867 nan 8.280 nan 0.000 0.554 1061 H N -1.434 117.564 119.070 -0.120 0.000 2.505 1061 H HA 0.363 4.919 4.556 -0.000 0.000 0.286 1061 H C -0.628 174.669 175.328 -0.051 0.000 1.072 1061 H CA -0.115 55.863 56.048 -0.116 0.000 1.141 1061 H CB 0.818 30.573 29.762 -0.011 0.000 1.550 1061 H HN 0.007 nan 8.280 nan 0.000 0.547 1062 V N 1.819 121.750 119.914 0.028 0.000 2.444 1062 V HA 0.123 4.243 4.120 -0.000 0.000 0.294 1062 V C 0.058 176.222 176.094 0.117 0.000 1.022 1062 V CA -1.110 61.269 62.300 0.131 0.000 0.850 1062 V CB 2.045 33.961 31.823 0.155 0.000 0.992 1062 V HN 0.039 nan 8.190 nan 0.000 0.426 1063 V N 5.683 125.684 119.914 0.146 0.000 2.584 1063 V HA 0.032 4.152 4.120 -0.000 0.000 0.303 1063 V C 0.810 176.992 176.094 0.147 0.000 1.035 1063 V CA 0.445 62.812 62.300 0.111 0.000 1.172 1063 V CB -0.188 31.693 31.823 0.096 0.000 0.896 1063 V HN 0.797 nan 8.190 nan 0.000 0.486 1064 R N 3.478 124.035 120.500 0.094 0.000 2.500 1064 R HA 0.577 4.916 4.340 -0.000 0.000 0.277 1064 R C -0.634 175.717 176.300 0.084 0.000 1.026 1064 R CA -0.885 55.273 56.100 0.097 0.000 1.058 1064 R CB 1.217 31.567 30.300 0.083 0.000 1.078 1064 R HN 0.690 nan 8.270 nan 0.000 0.509 1065 L N 5.353 126.618 121.223 0.070 0.000 2.257 1065 L HA 0.229 4.569 4.340 -0.000 0.000 0.290 1065 L C 0.504 177.464 176.870 0.150 0.000 1.044 1065 L CA -0.221 54.643 54.840 0.040 0.000 0.810 1065 L CB 0.925 42.912 42.059 -0.120 0.000 1.193 1065 L HN 0.758 nan 8.230 nan 0.000 0.425 1066 L N 5.146 126.449 121.223 0.134 0.000 2.270 1066 L HA 0.397 4.737 4.340 -0.000 0.000 0.210 1066 L C 1.056 178.064 176.870 0.231 0.000 1.104 1066 L CA 0.612 55.548 54.840 0.162 0.000 0.804 1066 L CB -0.483 41.633 42.059 0.096 0.000 0.937 1066 L HN 0.864 nan 8.230 nan 0.000 0.450 1067 G N -0.625 108.306 108.800 0.217 0.000 2.352 1067 G HA2 0.264 4.224 3.960 -0.000 0.000 0.283 1067 G HA3 0.264 4.224 3.960 -0.000 0.000 0.283 1067 G C -1.953 173.016 174.900 0.115 0.000 1.308 1067 G CA 0.049 45.305 45.100 0.261 0.000 0.892 1067 G HN -0.148 nan 8.290 nan 0.000 0.504 1068 V N -0.472 119.508 119.914 0.110 0.000 2.711 1068 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 1068 V C -0.704 175.422 176.094 0.054 0.000 1.097 1068 V CA -0.667 61.663 62.300 0.050 0.000 0.906 1068 V CB 1.602 33.416 31.823 -0.015 0.000 1.015 1068 V HN 1.256 nan 8.190 nan 0.000 0.427 1069 V N 6.777 126.717 119.914 0.042 0.000 2.427 1069 V HA 0.336 4.456 4.120 -0.000 0.000 0.268 1069 V C 1.170 177.276 176.094 0.019 0.000 1.046 1069 V CA 0.855 63.173 62.300 0.030 0.000 0.970 1069 V CB 0.672 32.509 31.823 0.023 0.000 1.001 1069 V HN 1.077 nan 8.190 nan 0.000 0.476 1070 S N 3.104 118.810 115.700 0.010 0.000 2.502 1070 S HA 0.071 4.541 4.470 -0.000 0.000 0.228 1070 S C 0.694 175.281 174.600 -0.022 0.000 1.061 1070 S CA -0.222 57.972 58.200 -0.009 0.000 0.935 1070 S CB 0.159 63.350 63.200 -0.015 0.000 0.809 1070 S HN 0.757 nan 8.310 nan 0.000 0.510 1071 Q N 2.104 121.897 119.800 -0.012 0.000 2.452 1071 Q HA 0.617 4.957 4.340 -0.000 0.000 0.230 1071 Q C 0.262 176.260 176.000 -0.003 0.000 1.180 1071 Q CA 0.024 55.822 55.803 -0.008 0.000 0.914 1071 Q CB 0.273 29.012 28.738 0.003 0.000 1.408 1071 Q HN 0.519 nan 8.270 nan 0.000 0.520 1072 G N 0.817 109.614 108.800 -0.005 0.000 2.313 1072 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.296 1072 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.296 1072 G C -0.102 174.796 174.900 -0.003 0.000 1.356 1072 G CA -0.555 44.543 45.100 -0.002 0.000 0.833 1072 G HN 0.251 nan 8.290 nan 0.000 0.552 1073 Q N -0.594 119.204 119.800 -0.003 0.000 2.020 1073 Q HA 0.053 4.393 4.340 -0.000 0.000 0.198 1073 Q C -1.269 174.727 176.000 -0.007 0.000 0.974 1073 Q CA 1.353 57.154 55.803 -0.003 0.000 0.829 1073 Q CB -0.441 28.295 28.738 -0.004 0.000 0.894 1073 Q HN 0.464 nan 8.270 nan 0.000 0.433 1074 P HA 0.175 nan 4.420 nan 0.000 0.285 1074 P C -1.095 176.206 177.300 0.001 0.000 1.448 1074 P CA 0.007 63.101 63.100 -0.009 0.000 0.953 1074 P CB 0.860 32.549 31.700 -0.017 0.000 1.175 1075 T N 4.714 119.273 114.554 0.009 0.000 2.871 1075 T HA 0.099 4.449 4.350 -0.000 0.000 0.296 1075 T C 0.643 175.379 174.700 0.060 0.000 0.998 1075 T CA 0.476 62.596 62.100 0.033 0.000 1.162 1075 T CB -0.078 68.820 68.868 0.050 0.000 0.947 1075 T HN 0.230 nan 8.240 nan 0.000 0.536 1076 L N 3.507 124.765 121.223 0.058 0.000 2.334 1076 L HA 0.647 4.987 4.340 -0.000 0.000 0.275 1076 L C -0.260 176.671 176.870 0.101 0.000 1.036 1076 L CA -1.094 53.790 54.840 0.075 0.000 0.807 1076 L CB 1.530 43.615 42.059 0.043 0.000 1.231 1076 L HN 0.307 nan 8.230 nan 0.000 0.438 1077 V N 3.535 123.530 119.914 0.134 0.000 2.444 1077 V HA 0.375 4.495 4.120 -0.000 0.000 0.294 1077 V C -0.331 175.816 176.094 0.089 0.000 1.022 1077 V CA -0.435 61.928 62.300 0.105 0.000 0.850 1077 V CB 1.873 33.789 31.823 0.155 0.000 0.992 1077 V HN 0.412 nan 8.190 nan 0.000 0.426 1078 I N 6.307 126.915 120.570 0.063 0.000 2.307 1078 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 1078 I C 0.140 176.294 176.117 0.061 0.000 1.021 1078 I CA 0.132 61.472 61.300 0.066 0.000 1.224 1078 I CB 1.075 39.114 38.000 0.064 0.000 1.376 1078 I HN 0.391 nan 8.210 nan 0.000 0.470 1079 M N 4.793 124.431 119.600 0.063 0.000 2.578 1079 M HA 0.351 4.831 4.480 -0.000 0.000 0.321 1079 M C 0.209 176.541 176.300 0.054 0.000 1.182 1079 M CA -0.756 54.579 55.300 0.058 0.000 0.965 1079 M CB 1.719 34.356 32.600 0.061 0.000 1.694 1079 M HN 0.648 nan 8.290 nan 0.000 0.461 1080 E N 2.233 122.464 120.200 0.051 0.000 2.413 1080 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 1080 E C -1.168 175.449 176.600 0.028 0.000 1.015 1080 E CA -0.292 56.132 56.400 0.040 0.000 0.916 1080 E CB 0.952 30.675 29.700 0.038 0.000 0.947 1080 E HN 0.644 nan 8.360 nan 0.000 0.440 1081 L N 4.042 125.277 121.223 0.020 0.000 2.380 1081 L HA 0.171 4.510 4.340 -0.000 0.000 0.273 1081 L C -0.344 176.520 176.870 -0.010 0.000 1.138 1081 L CA -0.360 54.486 54.840 0.010 0.000 0.832 1081 L CB 0.744 42.809 42.059 0.010 0.000 1.124 1081 L HN 0.765 nan 8.230 nan 0.000 0.454 1082 M N 4.572 124.160 119.600 -0.020 0.000 2.065 1082 M HA 0.132 4.612 4.480 -0.000 0.000 0.308 1082 M C 1.095 177.360 176.300 -0.060 0.000 0.939 1082 M CA -0.382 54.890 55.300 -0.047 0.000 0.890 1082 M CB 0.629 33.203 32.600 -0.043 0.000 1.383 1082 M HN 0.644 nan 8.290 nan 0.000 0.381 1083 T N -0.866 113.645 114.554 -0.073 0.000 2.849 1083 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 1083 T C 1.398 176.051 174.700 -0.079 0.000 1.066 1083 T CA 1.211 63.270 62.100 -0.069 0.000 1.130 1083 T CB -0.054 68.767 68.868 -0.077 0.000 0.864 1083 T HN 0.575 nan 8.240 nan 0.000 0.481 1084 R N 1.206 121.632 120.500 -0.123 0.000 2.388 1084 R HA 0.442 4.782 4.340 -0.000 0.000 0.247 1084 R C 1.529 177.810 176.300 -0.031 0.000 0.931 1084 R CA 0.176 56.218 56.100 -0.097 0.000 1.082 1084 R CB -0.117 30.049 30.300 -0.224 0.000 1.135 1084 R HN 0.606 nan 8.270 nan 0.000 0.525 1085 G N 1.933 110.712 108.800 -0.035 0.000 2.601 1085 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 1085 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 1085 G C -0.704 174.193 174.900 -0.005 0.000 1.294 1085 G CA -0.112 44.984 45.100 -0.007 0.000 0.912 1085 G HN 0.495 nan 8.290 nan 0.000 0.574 1086 D N 0.139 120.550 120.400 0.018 0.000 2.304 1086 D HA 0.298 4.938 4.640 -0.000 0.000 0.247 1086 D C 1.662 178.003 176.300 0.069 0.000 1.089 1086 D CA -0.274 53.737 54.000 0.019 0.000 0.910 1086 D CB 1.710 42.515 40.800 0.007 0.000 1.199 1086 D HN 0.605 nan 8.370 nan 0.000 0.426 1087 L N 1.566 122.823 121.223 0.057 0.000 2.187 1087 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 1087 L C 2.119 179.085 176.870 0.159 0.000 1.100 1087 L CA 1.643 56.553 54.840 0.117 0.000 0.765 1087 L CB -0.694 41.408 42.059 0.073 0.000 0.904 1087 L HN 0.462 nan 8.230 nan 0.000 0.437 1088 K N -0.865 119.598 120.400 0.106 0.000 2.031 1088 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 1088 K C 1.961 178.620 176.600 0.099 0.000 1.049 1088 K CA 1.557 57.907 56.287 0.104 0.000 0.939 1088 K CB -0.027 32.519 32.500 0.077 0.000 0.717 1088 K HN 0.437 nan 8.250 nan 0.000 0.438 1089 S N 0.194 115.950 115.700 0.093 0.000 2.387 1089 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 1089 S C 1.680 176.336 174.600 0.094 0.000 1.026 1089 S CA 0.753 58.998 58.200 0.075 0.000 0.972 1089 S CB -0.454 62.783 63.200 0.061 0.000 0.814 1089 S HN 0.396 nan 8.310 nan 0.000 0.477 1090 Y N 2.687 123.000 120.300 0.021 0.000 2.128 1090 Y HA -0.133 4.417 4.550 -0.000 0.000 0.284 1090 Y C 1.844 177.767 175.900 0.038 0.000 1.154 1090 Y CA 1.281 59.399 58.100 0.031 0.000 1.149 1090 Y CB -0.540 37.942 38.460 0.037 0.000 0.976 1090 Y HN 0.119 nan 8.280 nan 0.000 0.505 1091 L N -0.102 121.149 121.223 0.047 0.000 2.012 1091 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 1091 L C 2.710 179.518 176.870 -0.103 0.000 1.073 1091 L CA 1.534 56.344 54.840 -0.050 0.000 0.748 1091 L CB -0.591 41.499 42.059 0.052 0.000 0.891 1091 L HN 0.141 nan 8.230 nan 0.000 0.431 1092 R N -0.053 120.421 120.500 -0.043 0.000 2.127 1092 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 1092 R C 2.525 178.780 176.300 -0.075 0.000 1.134 1092 R CA 1.666 57.742 56.100 -0.040 0.000 0.975 1092 R CB -0.649 29.651 30.300 -0.001 0.000 0.865 1092 R HN 0.538 nan 8.270 nan 0.000 0.447 1093 S N 0.532 116.163 115.700 -0.116 0.000 2.447 1093 S HA -0.026 4.443 4.470 -0.000 0.000 0.233 1093 S C 1.948 176.457 174.600 -0.151 0.000 1.006 1093 S CA 0.595 58.722 58.200 -0.121 0.000 0.957 1093 S CB -0.246 62.875 63.200 -0.132 0.000 0.773 1093 S HN 0.263 nan 8.310 nan 0.000 0.507 1094 L N 0.927 122.023 121.223 -0.211 0.000 2.610 1094 L HA 0.148 4.488 4.340 -0.000 0.000 0.232 1094 L C 0.825 177.629 176.870 -0.110 0.000 1.149 1094 L CA 0.095 54.826 54.840 -0.182 0.000 0.872 1094 L CB -0.305 41.618 42.059 -0.227 0.000 0.992 1094 L HN 0.285 nan 8.230 nan 0.000 0.447 1095 R N 0.449 120.895 120.500 -0.089 0.000 2.490 1095 R HA 0.398 4.738 4.340 -0.000 0.000 0.278 1095 R C -2.014 174.255 176.300 -0.051 0.000 1.069 1095 R CA -1.741 54.321 56.100 -0.064 0.000 1.080 1095 R CB -0.509 29.759 30.300 -0.052 0.000 1.030 1095 R HN -0.118 nan 8.270 nan 0.000 0.491 1106 P HA 0.573 nan 4.420 nan 0.000 0.272 1106 P C -2.770 174.499 177.300 -0.053 0.000 1.230 1106 P CA -0.600 62.471 63.100 -0.048 0.000 0.788 1106 P CB -0.143 31.525 31.700 -0.053 0.000 0.949 1107 P HA 0.240 nan 4.420 nan 0.000 0.285 1107 P C -0.409 176.870 177.300 -0.035 0.000 1.280 1107 P CA -0.603 62.480 63.100 -0.028 0.000 0.862 1107 P CB 0.742 32.441 31.700 -0.002 0.000 1.153 1108 S N 0.515 116.195 115.700 -0.033 0.000 2.632 1108 S HA 0.180 4.650 4.470 -0.000 0.000 0.267 1108 S C 1.300 175.881 174.600 -0.031 0.000 1.276 1108 S CA -0.749 57.431 58.200 -0.033 0.000 0.998 1108 S CB 0.142 63.322 63.200 -0.034 0.000 0.953 1108 S HN 0.454 nan 8.310 nan 0.000 0.547 1109 L N 0.997 122.202 121.223 -0.031 0.000 2.081 1109 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 1109 L C 2.507 179.359 176.870 -0.029 0.000 1.080 1109 L CA 1.808 56.630 54.840 -0.029 0.000 0.754 1109 L CB -0.866 41.176 42.059 -0.027 0.000 0.893 1109 L HN 0.898 nan 8.230 nan 0.000 0.433 1110 S N -0.410 115.273 115.700 -0.029 0.000 2.348 1110 S HA -0.167 4.303 4.470 -0.000 0.000 0.221 1110 S C 1.850 176.433 174.600 -0.028 0.000 1.033 1110 S CA 1.122 59.303 58.200 -0.031 0.000 1.010 1110 S CB -0.044 63.138 63.200 -0.030 0.000 0.891 1110 S HN 0.337 nan 8.310 nan 0.000 0.442 1111 K N 0.900 121.285 120.400 -0.024 0.000 2.063 1111 K HA -0.014 4.306 4.320 -0.000 0.000 0.208 1111 K C 2.024 178.625 176.600 0.002 0.000 1.048 1111 K CA 1.306 57.586 56.287 -0.011 0.000 0.928 1111 K CB -0.555 31.940 32.500 -0.010 0.000 0.713 1111 K HN 0.402 nan 8.250 nan 0.000 0.442 1112 M N 0.249 119.844 119.600 -0.007 0.000 2.077 1112 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 1112 M C 2.075 178.366 176.300 -0.014 0.000 1.070 1112 M CA 1.242 56.538 55.300 -0.008 0.000 1.125 1112 M CB -0.248 32.338 32.600 -0.023 0.000 1.339 1112 M HN -0.021 nan 8.290 nan 0.000 0.409 1113 I N 0.103 120.657 120.570 -0.027 0.000 2.185 1113 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 1113 I C 2.434 178.519 176.117 -0.054 0.000 1.088 1113 I CA 1.662 62.938 61.300 -0.040 0.000 1.347 1113 I CB -1.208 36.758 38.000 -0.057 0.000 1.041 1113 I HN 0.414 nan 8.210 nan 0.000 0.415 1114 Q N 0.943 120.715 119.800 -0.046 0.000 2.030 1114 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 1114 Q C 2.278 178.267 176.000 -0.017 0.000 0.986 1114 Q CA 1.939 57.715 55.803 -0.046 0.000 0.843 1114 Q CB -0.275 28.459 28.738 -0.006 0.000 0.904 1114 Q HN 0.436 nan 8.270 nan 0.000 0.420 1115 M N -0.975 118.634 119.600 0.015 0.000 2.117 1115 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 1115 M C 2.105 178.438 176.300 0.054 0.000 1.065 1115 M CA 1.567 56.889 55.300 0.038 0.000 1.114 1115 M CB -0.342 32.285 32.600 0.045 0.000 1.361 1115 M HN 0.326 nan 8.290 nan 0.000 0.408 1116 A N 0.178 123.030 122.820 0.053 0.000 1.930 1116 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 1116 A C 2.304 180.022 177.584 0.224 0.000 1.175 1116 A CA 1.836 53.968 52.037 0.160 0.000 0.627 1116 A CB -1.343 17.728 19.000 0.118 0.000 0.815 1116 A HN 0.559 nan 8.150 nan 0.000 0.443 1117 G N -0.814 108.006 108.800 0.035 0.000 2.464 1117 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.217 1117 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.217 1117 G C 1.408 176.284 174.900 -0.039 0.000 1.138 1117 G CA 0.784 45.843 45.100 -0.069 0.000 0.793 1117 G HN 0.632 nan 8.290 nan 0.000 0.539 1118 E N -0.121 120.043 120.200 -0.059 0.000 2.112 1118 E HA 0.044 4.394 4.350 -0.000 0.000 0.190 1118 E C 2.403 178.929 176.600 -0.122 0.000 0.979 1118 E CA 0.240 56.507 56.400 -0.221 0.000 0.814 1118 E CB 0.002 29.666 29.700 -0.059 0.000 0.762 1118 E HN 0.440 nan 8.360 nan 0.000 0.460 1119 I N 1.224 121.823 120.570 0.049 0.000 2.233 1119 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 1119 I C 2.582 178.709 176.117 0.017 0.000 1.093 1119 I CA 0.830 62.193 61.300 0.105 0.000 1.380 1119 I CB -0.275 37.886 38.000 0.269 0.000 1.067 1119 I HN 0.048 nan 8.210 nan 0.000 0.413 1120 A N 0.440 123.296 122.820 0.061 0.000 1.917 1120 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 1120 A C 1.982 179.471 177.584 -0.159 0.000 1.182 1120 A CA 2.572 54.484 52.037 -0.208 0.000 0.633 1120 A CB -0.804 18.136 19.000 -0.100 0.000 0.819 1120 A HN 0.466 nan 8.150 nan 0.000 0.448 1121 D N -0.991 119.404 120.400 -0.008 0.000 2.097 1121 D HA -0.018 4.622 4.640 -0.000 0.000 0.197 1121 D C 2.041 178.383 176.300 0.070 0.000 0.984 1121 D CA 1.653 55.728 54.000 0.125 0.000 0.826 1121 D CB -0.502 40.386 40.800 0.147 0.000 0.973 1121 D HN 0.296 nan 8.370 nan 0.000 0.460 1122 G N 0.073 108.881 108.800 0.013 0.000 2.418 1122 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 1122 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 1122 G C 1.548 176.369 174.900 -0.131 0.000 1.158 1122 G CA 0.715 45.820 45.100 0.009 0.000 0.771 1122 G HN 0.187 nan 8.290 nan 0.000 0.545 1123 M N 1.089 120.477 119.600 -0.354 0.000 2.229 1123 M HA 0.079 4.559 4.480 -0.000 0.000 0.264 1123 M C 2.954 178.903 176.300 -0.585 0.000 1.063 1123 M CA 1.157 56.051 55.300 -0.677 0.000 1.114 1123 M CB -0.995 30.681 32.600 -1.539 0.000 1.387 1123 M HN 0.325 nan 8.290 nan 0.000 0.420 1124 A N -1.013 121.582 122.820 -0.375 0.000 1.969 1124 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 1124 A C 2.080 179.458 177.584 -0.343 0.000 1.169 1124 A CA 1.104 53.102 52.037 -0.065 0.000 0.635 1124 A CB -0.886 18.256 19.000 0.235 0.000 0.810 1124 A HN 0.506 nan 8.150 nan 0.000 0.445 1125 Y N 0.184 120.061 120.300 -0.705 0.000 2.153 1125 Y HA -0.079 4.471 4.550 -0.000 0.000 0.289 1125 Y C 1.964 177.509 175.900 -0.591 0.000 1.127 1125 Y CA 1.465 58.918 58.100 -1.078 0.000 1.131 1125 Y CB -0.384 37.621 38.460 -0.757 0.000 0.995 1125 Y HN 0.183 nan 8.280 nan 0.000 0.505 1126 L N 0.538 121.484 121.223 -0.462 0.000 1.997 1126 L HA -0.377 3.962 4.340 -0.000 0.000 0.216 1126 L C 1.849 178.558 176.870 -0.268 0.000 1.074 1126 L CA 2.474 57.032 54.840 -0.470 0.000 0.763 1126 L CB -0.727 41.169 42.059 -0.271 0.000 0.890 1126 L HN 0.432 nan 8.230 nan 0.000 0.434 1127 N N -1.024 117.571 118.700 -0.174 0.000 2.396 1127 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 1127 N C 1.737 177.193 175.510 -0.089 0.000 1.028 1127 N CA 0.666 53.684 53.050 -0.052 0.000 0.893 1127 N CB -0.000 38.529 38.487 0.071 0.000 0.967 1127 N HN 0.340 nan 8.380 nan 0.000 0.440 1128 A N 1.305 124.013 122.820 -0.187 0.000 1.929 1128 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 1128 A C 1.588 179.090 177.584 -0.137 0.000 1.176 1128 A CA 0.886 52.847 52.037 -0.126 0.000 0.628 1128 A CB -0.086 18.843 19.000 -0.118 0.000 0.816 1128 A HN 0.262 nan 8.150 nan 0.000 0.444 1129 N N 0.046 118.611 118.700 -0.226 0.000 2.362 1129 N HA 0.014 4.754 4.740 -0.000 0.000 0.204 1129 N C -0.601 174.881 175.510 -0.047 0.000 1.166 1129 N CA 0.150 53.147 53.050 -0.089 0.000 0.831 1129 N CB 0.324 38.764 38.487 -0.079 0.000 1.008 1129 N HN 0.064 nan 8.380 nan 0.000 0.472 1130 K N 0.070 120.399 120.400 -0.119 0.000 3.161 1130 K HA -0.142 4.178 4.320 -0.000 0.000 0.270 1130 K C -1.152 175.197 176.600 -0.419 0.000 1.115 1130 K CA 0.658 56.806 56.287 -0.231 0.000 0.789 1130 K CB -2.287 30.057 32.500 -0.259 0.000 1.256 1130 K HN 0.193 nan 8.250 nan 0.000 0.492 1131 F N -0.880 119.020 119.950 -0.083 0.000 2.532 1131 F HA 0.518 5.045 4.527 -0.000 0.000 0.321 1131 F C 0.710 176.503 175.800 -0.012 0.000 1.089 1131 F CA -1.114 56.858 58.000 -0.046 0.000 0.926 1131 F CB 1.695 40.647 39.000 -0.080 0.000 1.168 1131 F HN -0.210 nan 8.300 nan 0.000 0.459 1132 V N 2.847 122.890 119.914 0.214 0.000 2.472 1132 V HA 0.191 4.311 4.120 -0.000 0.000 0.290 1132 V C 0.818 177.054 176.094 0.237 0.000 1.037 1132 V CA -0.563 61.861 62.300 0.207 0.000 0.908 1132 V CB 1.306 33.234 31.823 0.176 0.000 0.985 1132 V HN 0.869 nan 8.190 nan 0.000 0.454 1133 H N 4.030 123.206 119.070 0.176 0.000 2.343 1133 H HA 0.040 4.595 4.556 -0.000 0.000 0.303 1133 H C 1.630 177.022 175.328 0.106 0.000 1.068 1133 H CA 1.962 58.111 56.048 0.170 0.000 1.359 1133 H CB 0.413 30.270 29.762 0.158 0.000 1.402 1133 H HN 0.755 nan 8.280 nan 0.000 0.515 1134 R N -1.207 119.474 120.500 0.302 0.000 3.789 1134 R HA -0.185 4.155 4.340 -0.000 0.000 0.414 1134 R C 0.399 176.838 176.300 0.231 0.000 0.593 1134 R CA 1.627 57.819 56.100 0.154 0.000 1.562 1134 R CB -1.406 28.737 30.300 -0.261 0.000 2.091 1134 R HN 0.311 nan 8.270 nan 0.000 0.382 1135 D N 0.450 121.070 120.400 0.367 0.000 2.479 1135 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 1135 D C -0.475 175.979 176.300 0.257 0.000 1.177 1135 D CA -0.300 53.855 54.000 0.258 0.000 0.830 1135 D CB 0.297 41.157 40.800 0.101 0.000 1.014 1135 D HN 0.019 nan 8.370 nan 0.000 0.503 1136 L N 1.515 122.891 121.223 0.255 0.000 2.562 1136 L HA 0.403 4.742 4.340 -0.000 0.000 0.271 1136 L C -0.243 176.655 176.870 0.046 0.000 1.167 1136 L CA 0.282 55.089 54.840 -0.055 0.000 0.917 1136 L CB -0.128 41.910 42.059 -0.035 0.000 1.187 1136 L HN 0.072 nan 8.230 nan 0.000 0.482 1137 A N 4.035 126.802 122.820 -0.088 0.000 2.588 1137 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 1137 A C 0.615 178.175 177.584 -0.040 0.000 1.136 1137 A CA -0.136 51.827 52.037 -0.125 0.000 0.681 1137 A CB 0.441 18.969 19.000 -0.786 0.000 1.282 1137 A HN 0.880 nan 8.150 nan 0.000 0.421 1138 A N 0.298 123.156 122.820 0.063 0.000 1.902 1138 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 1138 A C 1.930 179.518 177.584 0.006 0.000 1.181 1138 A CA 1.951 54.031 52.037 0.072 0.000 0.623 1138 A CB -0.672 18.418 19.000 0.151 0.000 0.818 1138 A HN 1.019 nan 8.150 nan 0.000 0.443 1139 R N -0.773 119.699 120.500 -0.047 0.000 2.293 1139 R HA -0.046 4.294 4.340 -0.000 0.000 0.219 1139 R C 0.435 176.692 176.300 -0.071 0.000 1.091 1139 R CA 1.551 57.615 56.100 -0.059 0.000 1.004 1139 R CB -0.444 29.794 30.300 -0.104 0.000 0.865 1139 R HN 0.362 nan 8.270 nan 0.000 0.469 1140 N N -0.098 118.552 118.700 -0.085 0.000 2.205 1140 N HA 0.093 4.833 4.740 -0.000 0.000 0.201 1140 N C -0.651 174.810 175.510 -0.083 0.000 1.128 1140 N CA -0.006 52.993 53.050 -0.086 0.000 0.867 1140 N CB 0.590 39.034 38.487 -0.072 0.000 0.996 1140 N HN 0.135 nan 8.380 nan 0.000 0.503 1141 C N 2.091 121.359 119.300 -0.054 0.000 2.319 1141 C HA 0.531 4.991 4.460 -0.000 0.000 0.335 1141 C C 0.482 175.455 174.990 -0.028 0.000 1.274 1141 C CA -0.896 58.100 59.018 -0.037 0.000 1.806 1141 C CB 0.316 28.049 27.740 -0.011 0.000 2.329 1141 C HN 0.192 nan 8.230 nan 0.000 0.524 1142 M N 2.419 121.998 119.600 -0.035 0.000 2.573 1142 M HA 0.579 5.059 4.480 -0.000 0.000 0.309 1142 M C -0.585 175.668 176.300 -0.078 0.000 1.202 1142 M CA -0.492 54.781 55.300 -0.046 0.000 0.975 1142 M CB 1.392 33.968 32.600 -0.040 0.000 1.600 1142 M HN 0.308 nan 8.290 nan 0.000 0.479 1143 V N 1.115 120.953 119.914 -0.127 0.000 2.444 1143 V HA 0.628 4.748 4.120 -0.000 0.000 0.294 1143 V C 0.205 176.169 176.094 -0.216 0.000 1.022 1143 V CA -0.994 61.172 62.300 -0.223 0.000 0.850 1143 V CB 1.319 32.869 31.823 -0.455 0.000 0.992 1143 V HN 1.028 nan 8.190 nan 0.000 0.426 1144 A N 2.804 125.515 122.820 -0.183 0.000 2.259 1144 A HA 0.506 4.826 4.320 -0.000 0.000 0.278 1144 A C 1.277 178.710 177.584 -0.252 0.000 1.107 1144 A CA 0.071 52.014 52.037 -0.156 0.000 0.828 1144 A CB 0.280 19.226 19.000 -0.089 0.000 1.111 1144 A HN 0.959 nan 8.150 nan 0.000 0.498 1145 E N 0.010 120.095 120.200 -0.192 0.000 2.114 1145 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 1145 E C 0.879 177.306 176.600 -0.288 0.000 1.008 1145 E CA 2.188 58.447 56.400 -0.235 0.000 0.810 1145 E CB -0.127 29.510 29.700 -0.105 0.000 0.739 1145 E HN 0.763 nan 8.360 nan 0.000 0.456 1146 D N -1.570 118.776 120.400 -0.091 0.000 2.325 1146 D HA -0.070 4.570 4.640 -0.000 0.000 0.234 1146 D C -0.009 176.465 176.300 0.288 0.000 1.122 1146 D CA -0.070 54.004 54.000 0.123 0.000 0.850 1146 D CB -0.587 40.292 40.800 0.131 0.000 0.921 1146 D HN 0.367 nan 8.370 nan 0.000 0.513 1147 F N -1.579 118.345 119.950 -0.043 0.000 2.748 1147 F HA -0.265 4.262 4.527 -0.000 0.000 0.370 1147 F C 0.504 176.254 175.800 -0.084 0.000 0.620 1147 F CA 0.874 58.812 58.000 -0.103 0.000 1.233 1147 F CB -2.471 36.502 39.000 -0.046 0.000 1.708 1147 F HN -0.089 nan 8.300 nan 0.000 0.298 1148 T N 2.152 116.763 114.554 0.096 0.000 2.888 1148 T HA 0.424 4.774 4.350 -0.000 0.000 0.301 1148 T C 0.523 175.235 174.700 0.019 0.000 1.001 1148 T CA -0.171 61.982 62.100 0.089 0.000 1.147 1148 T CB 1.162 70.083 68.868 0.088 0.000 0.931 1148 T HN 0.049 nan 8.240 nan 0.000 0.541 1149 V N 4.891 124.835 119.914 0.051 0.000 2.617 1149 V HA 0.507 4.626 4.120 -0.000 0.000 0.298 1149 V C 0.229 176.355 176.094 0.054 0.000 1.048 1149 V CA -0.554 61.756 62.300 0.017 0.000 0.964 1149 V CB 1.416 33.252 31.823 0.021 0.000 1.004 1149 V HN 0.774 nan 8.190 nan 0.000 0.466 1150 K N 3.193 123.606 120.400 0.022 0.000 2.502 1150 K HA 0.557 4.876 4.320 -0.000 0.000 0.257 1150 K C -1.507 175.108 176.600 0.025 0.000 0.938 1150 K CA -0.990 55.322 56.287 0.041 0.000 0.819 1150 K CB 2.341 34.843 32.500 0.004 0.000 1.333 1150 K HN 0.292 nan 8.250 nan 0.000 0.434 1151 I N 1.675 122.277 120.570 0.053 0.000 2.588 1151 I HA 0.070 4.240 4.170 -0.000 0.000 0.283 1151 I C 1.248 177.365 176.117 0.001 0.000 1.119 1151 I CA 0.543 61.857 61.300 0.022 0.000 1.419 1151 I CB 0.543 38.609 38.000 0.110 0.000 1.394 1151 I HN 1.043 nan 8.210 nan 0.000 0.562 1152 G N 4.293 112.967 108.800 -0.210 0.000 2.775 1152 G HA2 0.001 3.961 3.960 -0.000 0.000 0.198 1152 G HA3 0.001 3.961 3.960 -0.000 0.000 0.198 1152 G C -0.093 174.525 174.900 -0.470 0.000 1.121 1152 G CA 0.124 45.088 45.100 -0.225 0.000 0.686 1152 G HN 0.537 nan 8.290 nan 0.000 0.782 1153 D N -0.073 119.947 120.400 -0.633 0.000 2.481 1153 D HA 0.450 5.090 4.640 -0.000 0.000 0.246 1153 D C -1.086 174.801 176.300 -0.689 0.000 1.109 1153 D CA -0.896 52.820 54.000 -0.474 0.000 0.845 1153 D CB 1.102 41.782 40.800 -0.200 0.000 1.160 1153 D HN 0.068 nan 8.370 nan 0.000 0.534 1154 F N 1.742 121.654 119.950 -0.062 0.000 2.881 1154 F HA 0.339 4.866 4.527 -0.000 0.000 0.343 1154 F C 1.833 177.569 175.800 -0.107 0.000 1.233 1154 F CA -0.804 57.102 58.000 -0.156 0.000 1.262 1154 F CB 1.272 40.242 39.000 -0.050 0.000 0.980 1154 F HN 0.477 nan 8.300 nan 0.000 0.506 1155 G N -0.034 108.779 108.800 0.023 0.000 2.484 1155 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 1155 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 1155 G C 1.327 176.231 174.900 0.008 0.000 1.130 1155 G CA 0.506 45.633 45.100 0.045 0.000 0.784 1155 G HN 0.323 nan 8.290 nan 0.000 0.543 1156 M N 1.262 120.832 119.600 -0.050 0.000 2.333 1156 M HA 0.246 4.726 4.480 -0.000 0.000 0.257 1156 M C 1.194 177.448 176.300 -0.077 0.000 1.078 1156 M CA 0.037 55.292 55.300 -0.074 0.000 1.005 1156 M CB 0.674 33.212 32.600 -0.104 0.000 1.444 1156 M HN 0.104 nan 8.290 nan 0.000 0.496 1157 T N 0.251 114.785 114.554 -0.032 0.000 2.910 1157 T HA 0.533 4.883 4.350 -0.000 0.000 0.293 1157 T C 0.039 174.817 174.700 0.131 0.000 1.015 1157 T CA -0.627 61.497 62.100 0.039 0.000 1.094 1157 T CB 1.021 69.944 68.868 0.092 0.000 0.968 1157 T HN 0.156 nan 8.240 nan 0.000 0.521 1158 R N 2.108 122.710 120.500 0.170 0.000 2.807 1158 R HA 0.407 4.747 4.340 -0.000 0.000 0.276 1158 R C -0.750 175.642 176.300 0.153 0.000 0.979 1158 R CA -0.834 55.359 56.100 0.154 0.000 0.928 1158 R CB 1.569 31.900 30.300 0.052 0.000 1.191 1158 R HN 0.876 nan 8.270 nan 0.000 0.471 1159 D N 2.607 123.007 120.400 0.000 0.000 2.345 1159 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 1159 D C 0.114 176.270 176.300 -0.240 0.000 1.108 1159 D CA -0.124 53.639 54.000 -0.396 0.000 0.894 1159 D CB 0.803 41.395 40.800 -0.347 0.000 1.203 1159 D HN 0.479 nan 8.370 nan 0.000 0.430 1163 T N -0.518 114.022 114.554 -0.023 0.000 11.928 1163 T HA -0.204 4.146 4.350 -0.000 0.000 0.377 1163 T C 0.327 175.019 174.700 -0.012 0.000 1.727 1163 T CA 0.211 62.304 62.100 -0.012 0.000 2.856 1163 T CB -1.547 67.316 68.868 -0.009 0.000 2.334 1163 T HN 0.688 nan 8.240 nan 0.000 0.442 1168 K N 1.981 122.488 120.400 0.177 0.000 2.297 1168 K HA 0.334 4.654 4.320 -0.000 0.000 0.286 1168 K C 0.826 177.477 176.600 0.086 0.000 1.053 1168 K CA 0.587 56.948 56.287 0.123 0.000 0.940 1168 K CB 1.344 33.935 32.500 0.152 0.000 1.019 1168 K HN 0.672 nan 8.250 nan 0.000 0.475 1169 G N 2.587 111.421 108.800 0.058 0.000 2.439 1169 G HA2 0.004 3.964 3.960 -0.000 0.000 0.212 1169 G HA3 0.004 3.964 3.960 -0.000 0.000 0.212 1169 G C 0.700 175.623 174.900 0.038 0.000 1.199 1169 G CA 0.546 45.671 45.100 0.042 0.000 0.807 1169 G HN 0.709 nan 8.290 nan 0.000 0.537 1170 G N -0.350 108.471 108.800 0.035 0.000 2.582 1170 G HA2 0.398 4.358 3.960 -0.000 0.000 0.232 1170 G HA3 0.398 4.358 3.960 -0.000 0.000 0.232 1170 G C -0.181 174.739 174.900 0.035 0.000 1.458 1170 G CA -0.526 44.592 45.100 0.030 0.000 1.062 1170 G HN 0.157 nan 8.290 nan 0.000 0.566 1171 K N 0.245 120.662 120.400 0.029 0.000 2.326 1171 K HA 0.397 4.717 4.320 -0.000 0.000 0.275 1171 K C 0.156 176.777 176.600 0.034 0.000 1.018 1171 K CA 0.118 56.423 56.287 0.030 0.000 0.962 1171 K CB 0.899 33.412 32.500 0.023 0.000 0.953 1171 K HN 0.504 nan 8.250 nan 0.000 0.475 1172 G N 2.022 110.848 108.800 0.044 0.000 2.524 1172 G HA2 0.526 4.486 3.960 -0.000 0.000 0.310 1172 G HA3 0.526 4.486 3.960 -0.000 0.000 0.310 1172 G C -0.008 174.919 174.900 0.045 0.000 1.279 1172 G CA -0.582 44.547 45.100 0.047 0.000 0.974 1172 G HN 0.542 nan 8.290 nan 0.000 0.484 1173 L N 1.151 122.393 121.223 0.033 0.000 2.906 1173 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 1173 L C 0.541 177.436 176.870 0.042 0.000 1.166 1173 L CA -0.146 54.713 54.840 0.031 0.000 0.977 1173 L CB 0.125 42.191 42.059 0.011 0.000 1.313 1173 L HN 0.250 nan 8.230 nan 0.000 0.549 1174 L N 1.879 123.136 121.223 0.058 0.000 2.490 1174 L HA 0.088 4.428 4.340 -0.000 0.000 0.274 1174 L C -1.778 175.172 176.870 0.133 0.000 1.201 1174 L CA -1.568 53.323 54.840 0.084 0.000 0.869 1174 L CB -0.141 41.988 42.059 0.116 0.000 1.123 1174 L HN -0.121 nan 8.230 nan 0.000 0.484 1175 P HA -0.041 nan 4.420 nan 0.000 0.267 1175 P C 0.809 178.318 177.300 0.349 0.000 1.209 1175 P CA -0.247 63.004 63.100 0.252 0.000 0.763 1175 P CB 0.721 32.586 31.700 0.275 0.000 0.816 1176 V N 2.424 122.491 119.914 0.254 0.000 2.626 1176 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 1176 V C 1.751 177.963 176.094 0.196 0.000 1.067 1176 V CA 1.199 63.609 62.300 0.183 0.000 1.081 1176 V CB -1.082 30.785 31.823 0.073 0.000 0.686 1176 V HN 0.344 nan 8.190 nan 0.000 0.468 1177 R N -0.989 119.671 120.500 0.266 0.000 2.328 1177 R HA 0.033 4.373 4.340 -0.000 0.000 0.207 1177 R C 1.632 177.927 176.300 -0.008 0.000 1.056 1177 R CA 1.404 57.555 56.100 0.085 0.000 1.016 1177 R CB -0.163 30.083 30.300 -0.090 0.000 0.872 1177 R HN 0.669 nan 8.270 nan 0.000 0.471 1178 W N -0.699 120.758 121.300 0.263 0.000 3.008 1178 W HA 0.279 4.939 4.660 -0.000 0.000 0.355 1178 W C 0.004 176.752 176.519 0.381 0.000 1.095 1178 W CA -0.535 57.009 57.345 0.333 0.000 1.738 1178 W CB 0.323 29.944 29.460 0.268 0.000 1.091 1178 W HN 0.002 nan 8.180 nan 0.000 0.574 1179 M N 1.196 121.033 119.600 0.394 0.000 2.249 1179 M HA 0.082 4.562 4.480 -0.000 0.000 0.351 1179 M C 1.071 177.197 176.300 -0.290 0.000 1.180 1179 M CA 0.228 55.620 55.300 0.155 0.000 1.127 1179 M CB 1.345 34.001 32.600 0.093 0.000 1.546 1179 M HN -0.255 nan 8.290 nan 0.000 0.461 1180 S N 2.516 117.854 115.700 -0.603 0.000 2.585 1180 S HA 0.269 4.739 4.470 -0.000 0.000 0.273 1180 S C -2.163 171.864 174.600 -0.954 0.000 1.339 1180 S CA -1.192 56.198 58.200 -1.349 0.000 1.028 1180 S CB 0.482 63.221 63.200 -0.768 0.000 0.906 1180 S HN 0.451 nan 8.310 nan 0.000 0.528 1181 P HA -0.224 nan 4.420 nan 0.000 0.216 1181 P C 1.725 178.717 177.300 -0.513 0.000 1.157 1181 P CA 1.688 64.378 63.100 -0.684 0.000 0.880 1181 P CB -0.078 31.144 31.700 -0.797 0.000 0.791 1182 E N -0.461 119.412 120.200 -0.545 0.000 2.150 1182 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 1182 E C 1.744 178.122 176.600 -0.370 0.000 0.985 1182 E CA 1.456 57.626 56.400 -0.384 0.000 0.814 1182 E CB -1.217 28.284 29.700 -0.331 0.000 0.752 1182 E HN 0.162 nan 8.360 nan 0.000 0.466 1183 S N 1.500 116.912 115.700 -0.480 0.000 2.368 1183 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 1183 S C 2.198 176.579 174.600 -0.365 0.000 1.029 1183 S CA 1.008 58.837 58.200 -0.617 0.000 0.988 1183 S CB -0.324 62.349 63.200 -0.879 0.000 0.838 1183 S HN 0.205 nan 8.310 nan 0.000 0.462 1184 L N 1.170 122.220 121.223 -0.288 0.000 2.079 1184 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 1184 L C 2.567 179.355 176.870 -0.137 0.000 1.081 1184 L CA 1.319 56.055 54.840 -0.173 0.000 0.752 1184 L CB -0.387 41.562 42.059 -0.183 0.000 0.896 1184 L HN 0.261 nan 8.230 nan 0.000 0.433 1185 K N -0.630 119.672 120.400 -0.164 0.000 2.076 1185 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 1185 K C 0.825 177.371 176.600 -0.090 0.000 1.051 1185 K CA 1.304 57.524 56.287 -0.112 0.000 0.949 1185 K CB 0.334 32.768 32.500 -0.109 0.000 0.726 1185 K HN 0.243 nan 8.250 nan 0.000 0.443 1186 D N -1.755 118.576 120.400 -0.116 0.000 2.520 1186 D HA 0.116 4.756 4.640 -0.000 0.000 0.223 1186 D C 0.254 176.510 176.300 -0.074 0.000 1.186 1186 D CA 0.574 54.525 54.000 -0.082 0.000 0.821 1186 D CB 1.362 42.114 40.800 -0.081 0.000 1.072 1186 D HN 0.393 nan 8.370 nan 0.000 0.518 1187 G N 1.562 110.293 108.800 -0.115 0.000 2.198 1187 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 1187 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 1187 G C 0.329 175.174 174.900 -0.092 0.000 1.025 1187 G CA 0.302 45.372 45.100 -0.050 0.000 0.769 1187 G HN 0.256 nan 8.290 nan 0.000 0.507 1188 V N 0.200 119.939 119.914 -0.291 0.000 2.432 1188 V HA 0.699 4.819 4.120 -0.000 0.000 0.275 1188 V C 0.045 175.877 176.094 -0.438 0.000 1.043 1188 V CA -0.356 61.822 62.300 -0.204 0.000 0.925 1188 V CB 0.968 32.706 31.823 -0.142 0.000 0.985 1188 V HN 0.226 nan 8.190 nan 0.000 0.466 1189 F N 3.098 123.064 119.950 0.026 0.000 2.493 1189 F HA 0.694 5.221 4.527 -0.000 0.000 0.329 1189 F C 0.487 176.311 175.800 0.040 0.000 1.126 1189 F CA -0.374 57.654 58.000 0.046 0.000 0.937 1189 F CB 2.293 41.330 39.000 0.062 0.000 1.146 1189 F HN 0.620 nan 8.300 nan 0.000 0.442 1190 T N -2.926 111.738 114.554 0.184 0.000 2.716 1190 T HA 0.282 4.632 4.350 -0.000 0.000 0.286 1190 T C 1.016 175.742 174.700 0.044 0.000 1.052 1190 T CA 0.052 62.185 62.100 0.056 0.000 1.024 1190 T CB 1.225 70.080 68.868 -0.021 0.000 1.349 1190 T HN 0.567 nan 8.240 nan 0.000 0.525 1191 T N -0.961 113.511 114.554 -0.135 0.000 2.746 1191 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 1191 T C 1.561 176.265 174.700 0.008 0.000 1.039 1191 T CA 1.560 63.627 62.100 -0.054 0.000 1.142 1191 T CB -1.123 67.648 68.868 -0.162 0.000 0.866 1191 T HN 0.617 nan 8.240 nan 0.000 0.444 1192 Y N 2.975 123.322 120.300 0.079 0.000 2.193 1192 Y HA -0.101 4.449 4.550 -0.000 0.000 0.285 1192 Y C 3.252 179.227 175.900 0.126 0.000 1.166 1192 Y CA 0.808 58.940 58.100 0.054 0.000 1.181 1192 Y CB -1.258 37.216 38.460 0.024 0.000 0.976 1192 Y HN 0.521 nan 8.280 nan 0.000 0.520 1193 S N -0.713 115.152 115.700 0.275 0.000 2.406 1193 S HA -0.141 4.328 4.470 -0.000 0.000 0.228 1193 S C 1.585 176.425 174.600 0.401 0.000 1.020 1193 S CA 1.202 59.558 58.200 0.261 0.000 0.965 1193 S CB -0.375 62.901 63.200 0.127 0.000 0.798 1193 S HN 0.317 nan 8.310 nan 0.000 0.488 1194 D N 1.759 122.395 120.400 0.393 0.000 2.097 1194 D HA -0.034 4.606 4.640 -0.000 0.000 0.195 1194 D C 2.113 178.732 176.300 0.532 0.000 0.989 1194 D CA 1.061 55.351 54.000 0.482 0.000 0.827 1194 D CB -0.677 40.427 40.800 0.506 0.000 0.966 1194 D HN 0.292 nan 8.370 nan 0.000 0.456 1195 V N 1.041 121.138 119.914 0.304 0.000 2.282 1195 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 1195 V C 2.170 178.489 176.094 0.374 0.000 1.057 1195 V CA 1.617 63.976 62.300 0.098 0.000 1.032 1195 V CB -0.555 31.153 31.823 -0.193 0.000 0.645 1195 V HN 0.426 nan 8.190 nan 0.000 0.447 1196 W N 1.158 122.615 121.300 0.262 0.000 2.317 1196 W HA -0.269 4.391 4.660 -0.000 0.000 0.318 1196 W C 2.564 179.353 176.519 0.450 0.000 1.227 1196 W CA 2.483 60.045 57.345 0.361 0.000 1.269 1196 W CB -0.704 28.912 29.460 0.259 0.000 1.155 1196 W HN 0.351 nan 8.180 nan 0.000 0.484 1197 S N 0.771 116.913 115.700 0.737 0.000 2.370 1197 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 1197 S C 1.557 176.473 174.600 0.525 0.000 1.033 1197 S CA 1.730 60.325 58.200 0.659 0.000 1.011 1197 S CB -1.174 62.397 63.200 0.618 0.000 0.852 1197 S HN 0.372 nan 8.310 nan 0.000 0.457 1198 F N 2.672 122.843 119.950 0.368 0.000 2.126 1198 F HA -0.071 4.455 4.527 -0.000 0.000 0.299 1198 F C 2.293 178.201 175.800 0.180 0.000 1.096 1198 F CA 1.343 59.522 58.000 0.298 0.000 1.255 1198 F CB -0.986 38.268 39.000 0.423 0.000 0.997 1198 F HN 0.221 nan 8.300 nan 0.000 0.479 1199 G N -0.084 108.798 108.800 0.135 0.000 2.442 1199 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 1199 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 1199 G C 1.706 176.635 174.900 0.049 0.000 1.141 1199 G CA 1.259 46.228 45.100 -0.218 0.000 0.763 1199 G HN 0.372 nan 8.290 nan 0.000 0.554 1200 V N 0.842 120.935 119.914 0.298 0.000 2.453 1200 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 1200 V C 3.072 179.344 176.094 0.297 0.000 1.048 1200 V CA 1.604 64.075 62.300 0.284 0.000 1.049 1200 V CB -0.021 31.814 31.823 0.021 0.000 0.672 1200 V HN 0.402 nan 8.190 nan 0.000 0.457 1201 V N -1.177 118.873 119.914 0.226 0.000 2.626 1201 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 1201 V C 2.111 178.213 176.094 0.015 0.000 1.067 1201 V CA 1.668 64.076 62.300 0.180 0.000 1.081 1201 V CB -0.518 31.377 31.823 0.119 0.000 0.686 1201 V HN 0.461 nan 8.190 nan 0.000 0.468 1202 L N -1.394 119.727 121.223 -0.170 0.000 2.046 1202 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1202 L C 2.417 179.289 176.870 0.003 0.000 1.077 1202 L CA 2.495 57.224 54.840 -0.184 0.000 0.747 1202 L CB -0.590 41.278 42.059 -0.318 0.000 0.896 1202 L HN 0.604 nan 8.230 nan 0.000 0.432 1203 W N 1.300 122.571 121.300 -0.047 0.000 2.363 1203 W HA -0.190 4.470 4.660 -0.000 0.000 0.296 1203 W C 2.376 178.910 176.519 0.026 0.000 1.212 1203 W CA 1.597 58.967 57.345 0.043 0.000 1.260 1203 W CB 0.086 29.636 29.460 0.150 0.000 1.131 1203 W HN 0.120 nan 8.180 nan 0.000 0.530 1204 E N 0.007 120.367 120.200 0.267 0.000 2.072 1204 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 1204 E C 2.163 178.750 176.600 -0.021 0.000 0.982 1204 E CA 1.591 58.084 56.400 0.154 0.000 0.803 1204 E CB -0.502 29.384 29.700 0.310 0.000 0.755 1204 E HN 0.335 nan 8.360 nan 0.000 0.453 1205 I N 1.497 122.064 120.570 -0.006 0.000 2.163 1205 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 1205 I C 2.583 178.638 176.117 -0.103 0.000 1.085 1205 I CA 1.142 62.423 61.300 -0.031 0.000 1.347 1205 I CB -0.394 37.590 38.000 -0.026 0.000 1.044 1205 I HN 0.086 nan 8.210 nan 0.000 0.408 1206 A N 0.352 123.071 122.820 -0.169 0.000 2.019 1206 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 1206 A C 2.230 179.629 177.584 -0.308 0.000 1.164 1206 A CA 2.173 54.077 52.037 -0.221 0.000 0.644 1206 A CB -0.851 18.008 19.000 -0.234 0.000 0.805 1206 A HN 0.561 nan 8.150 nan 0.000 0.449 1207 T N -3.902 110.396 114.554 -0.427 0.000 3.069 1207 T HA 0.397 4.747 4.350 -0.000 0.000 0.252 1207 T C 0.514 175.070 174.700 -0.240 0.000 1.053 1207 T CA 0.241 62.074 62.100 -0.445 0.000 0.964 1207 T CB -0.366 68.008 68.868 -0.824 0.000 1.005 1207 T HN 0.607 nan 8.240 nan 0.000 0.532 1208 L N 0.500 121.627 121.223 -0.161 0.000 3.548 1208 L HA -0.224 4.116 4.340 -0.000 0.000 0.443 1208 L C 0.742 177.584 176.870 -0.047 0.000 1.286 1208 L CA 0.194 54.982 54.840 -0.088 0.000 0.863 1208 L CB -2.653 39.353 42.059 -0.088 0.000 1.734 1208 L HN 0.863 nan 8.230 nan 0.000 0.873 1209 A N -0.685 122.123 122.820 -0.020 0.000 2.734 1209 A HA -0.183 4.137 4.320 -0.000 0.000 0.296 1209 A C 0.751 178.392 177.584 0.095 0.000 1.474 1209 A CA 1.660 53.745 52.037 0.079 0.000 0.735 1209 A CB -1.136 17.919 19.000 0.092 0.000 1.062 1209 A HN 0.690 nan 8.150 nan 0.000 0.463 1210 E N -0.230 120.008 120.200 0.064 0.000 2.351 1210 E HA 0.328 4.678 4.350 -0.000 0.000 0.255 1210 E C 0.509 177.303 176.600 0.324 0.000 1.188 1210 E CA -0.653 55.835 56.400 0.146 0.000 0.940 1210 E CB 0.472 30.223 29.700 0.085 0.000 1.094 1210 E HN 0.602 nan 8.360 nan 0.000 0.474 1211 Q N 1.691 121.653 119.800 0.271 0.000 2.294 1211 Q HA 0.189 4.529 4.340 -0.000 0.000 0.257 1211 Q C -2.312 173.756 176.000 0.112 0.000 0.955 1211 Q CA -2.121 53.814 55.803 0.221 0.000 0.936 1211 Q CB 0.784 29.618 28.738 0.160 0.000 1.188 1211 Q HN 0.118 nan 8.270 nan 0.000 0.420 1212 P HA -0.108 nan 4.420 nan 0.000 0.266 1212 P C -1.184 175.827 177.300 -0.481 0.000 1.195 1212 P CA 0.465 63.054 63.100 -0.852 0.000 0.768 1212 P CB 0.083 31.129 31.700 -1.091 0.000 0.838 1213 Y N -1.080 118.975 120.300 -0.409 0.000 3.721 1213 Y HA -0.275 4.275 4.550 -0.000 0.000 0.218 1213 Y C 0.995 176.812 175.900 -0.138 0.000 1.188 1213 Y CA 0.445 58.400 58.100 -0.241 0.000 1.607 1213 Y CB -2.697 35.640 38.460 -0.204 0.000 1.496 1213 Y HN 0.442 nan 8.280 nan 0.000 0.626 1214 Q N 1.073 120.879 119.800 0.009 0.000 2.283 1214 Q HA 0.276 4.616 4.340 -0.000 0.000 0.301 1214 Q C 1.441 177.450 176.000 0.014 0.000 1.063 1214 Q CA 1.571 57.398 55.803 0.040 0.000 0.952 1214 Q CB 0.479 29.258 28.738 0.069 0.000 1.166 1214 Q HN 0.882 nan 8.270 nan 0.000 0.381 1215 G N 3.187 111.992 108.800 0.008 0.000 2.232 1215 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 1215 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 1215 G C -0.129 174.748 174.900 -0.038 0.000 0.996 1215 G CA 0.019 45.109 45.100 -0.016 0.000 0.626 1215 G HN 0.521 nan 8.290 nan 0.000 0.509 1216 L N 2.146 123.347 121.223 -0.037 0.000 2.325 1216 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 1216 L C 1.048 177.904 176.870 -0.023 0.000 1.023 1216 L CA -0.371 54.434 54.840 -0.060 0.000 0.811 1216 L CB 1.820 43.810 42.059 -0.115 0.000 1.249 1216 L HN 0.394 nan 8.230 nan 0.000 0.431 1217 S N 0.654 116.338 115.700 -0.026 0.000 2.592 1217 S HA 0.166 4.636 4.470 -0.000 0.000 0.271 1217 S C 0.838 175.432 174.600 -0.011 0.000 1.326 1217 S CA -0.763 57.433 58.200 -0.007 0.000 1.024 1217 S CB 1.091 64.287 63.200 -0.007 0.000 0.921 1217 S HN 0.591 nan 8.310 nan 0.000 0.527 1218 N N 1.850 120.555 118.700 0.009 0.000 2.049 1218 N HA -0.188 4.552 4.740 -0.000 0.000 0.198 1218 N C 1.581 177.084 175.510 -0.013 0.000 1.030 1218 N CA 1.677 54.731 53.050 0.007 0.000 0.870 1218 N CB -0.737 37.769 38.487 0.031 0.000 1.045 1218 N HN 0.724 nan 8.380 nan 0.000 0.434 1219 E N 1.123 121.319 120.200 -0.006 0.000 2.068 1219 E HA -0.246 4.104 4.350 -0.000 0.000 0.207 1219 E C 1.943 178.531 176.600 -0.019 0.000 1.032 1219 E CA 1.515 57.909 56.400 -0.011 0.000 0.839 1219 E CB -0.302 29.395 29.700 -0.006 0.000 0.758 1219 E HN 0.544 nan 8.360 nan 0.000 0.457 1220 Q N -0.349 119.435 119.800 -0.026 0.000 2.119 1220 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 1220 Q C 2.383 178.366 176.000 -0.028 0.000 0.972 1220 Q CA 1.224 57.009 55.803 -0.031 0.000 0.847 1220 Q CB 0.060 28.764 28.738 -0.057 0.000 0.903 1220 Q HN 0.112 nan 8.270 nan 0.000 0.433 1221 V N 1.097 120.966 119.914 -0.075 0.000 2.261 1221 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 1221 V C 2.175 178.188 176.094 -0.135 0.000 1.047 1221 V CA 1.294 63.495 62.300 -0.165 0.000 1.015 1221 V CB -0.652 31.010 31.823 -0.267 0.000 0.642 1221 V HN 0.407 nan 8.190 nan 0.000 0.446 1222 L N 0.378 121.544 121.223 -0.096 0.000 1.991 1222 L HA -0.275 4.065 4.340 -0.000 0.000 0.221 1222 L C 2.577 179.408 176.870 -0.065 0.000 1.079 1222 L CA 2.445 57.237 54.840 -0.080 0.000 0.778 1222 L CB -1.173 40.859 42.059 -0.046 0.000 0.893 1222 L HN 0.296 nan 8.230 nan 0.000 0.437 1223 R N -1.931 118.555 120.500 -0.023 0.000 2.075 1223 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 1223 R C 2.337 178.649 176.300 0.019 0.000 1.126 1223 R CA 1.673 57.771 56.100 -0.003 0.000 0.963 1223 R CB -0.430 29.880 30.300 0.016 0.000 0.858 1223 R HN 0.377 nan 8.270 nan 0.000 0.435 1224 F N 0.468 120.346 119.950 -0.120 0.000 2.146 1224 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 1224 F C 1.773 177.507 175.800 -0.110 0.000 1.096 1224 F CA 1.225 59.157 58.000 -0.114 0.000 1.275 1224 F CB -0.290 38.625 39.000 -0.142 0.000 1.008 1224 F HN -0.225 nan 8.300 nan 0.000 0.480 1225 V N 0.567 120.293 119.914 -0.313 0.000 2.379 1225 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 1225 V C 2.419 178.386 176.094 -0.211 0.000 1.044 1225 V CA 2.081 64.166 62.300 -0.357 0.000 1.036 1225 V CB -0.604 31.043 31.823 -0.294 0.000 0.664 1225 V HN 0.349 nan 8.190 nan 0.000 0.453 1226 M N -0.570 118.941 119.600 -0.149 0.000 2.279 1226 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 1226 M C 1.851 178.166 176.300 0.025 0.000 1.062 1226 M CA 1.639 56.908 55.300 -0.052 0.000 1.099 1226 M CB -0.299 32.262 32.600 -0.065 0.000 1.394 1226 M HN 0.353 nan 8.290 nan 0.000 0.426 1227 E N -0.743 119.408 120.200 -0.081 0.000 2.479 1227 E HA 0.108 4.458 4.350 -0.000 0.000 0.193 1227 E C 1.037 177.519 176.600 -0.198 0.000 1.049 1227 E CA 0.341 56.666 56.400 -0.125 0.000 0.870 1227 E CB 0.429 30.075 29.700 -0.090 0.000 0.944 1227 E HN 0.645 nan 8.360 nan 0.000 0.492 1228 G N 0.844 109.535 108.800 -0.182 0.000 2.205 1228 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.180 1228 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.180 1228 G C 0.536 175.294 174.900 -0.237 0.000 1.004 1228 G CA -0.497 44.508 45.100 -0.159 0.000 0.670 1228 G HN 0.427 nan 8.290 nan 0.000 0.496 1229 G N -0.306 108.134 108.800 -0.600 0.000 2.630 1229 G HA2 0.512 4.472 3.960 -0.000 0.000 0.236 1229 G HA3 0.512 4.472 3.960 -0.000 0.000 0.236 1229 G C -0.076 174.491 174.900 -0.555 0.000 1.248 1229 G CA 0.223 44.626 45.100 -1.162 0.000 0.844 1229 G HN 0.858 nan 8.290 nan 0.000 0.588 1230 L N 0.103 121.204 121.223 -0.203 0.000 2.434 1230 L HA 0.353 4.693 4.340 -0.000 0.000 0.260 1230 L C 0.009 176.911 176.870 0.054 0.000 0.983 1230 L CA -0.978 53.814 54.840 -0.080 0.000 0.820 1230 L CB 2.155 44.236 42.059 0.037 0.000 1.361 1230 L HN 0.355 nan 8.230 nan 0.000 0.410 1231 L N 1.162 122.183 121.223 -0.338 0.000 2.506 1231 L HA 0.030 4.370 4.340 -0.000 0.000 0.281 1231 L C -0.382 176.572 176.870 0.140 0.000 1.228 1231 L CA 0.274 54.889 54.840 -0.377 0.000 0.850 1231 L CB 0.206 41.605 42.059 -1.100 0.000 1.110 1231 L HN 0.518 nan 8.230 nan 0.000 0.496 1232 D N 1.497 122.018 120.400 0.201 0.000 2.210 1232 D HA 0.134 4.774 4.640 -0.000 0.000 0.249 1232 D C -0.104 176.380 176.300 0.307 0.000 1.078 1232 D CA -0.500 53.655 54.000 0.258 0.000 0.875 1232 D CB 0.871 41.752 40.800 0.136 0.000 1.175 1232 D HN 0.263 nan 8.370 nan 0.000 0.440 1233 K N 2.844 123.172 120.400 -0.120 0.000 2.511 1233 K HA -0.005 4.315 4.320 -0.000 0.000 0.277 1233 K C -2.284 174.213 176.600 -0.171 0.000 1.025 1233 K CA -0.848 55.049 56.287 -0.650 0.000 1.112 1233 K CB 0.254 31.843 32.500 -1.517 0.000 0.859 1233 K HN 0.155 nan 8.250 nan 0.000 0.485 1234 P HA 0.046 nan 4.420 nan 0.000 0.271 1234 P C -1.176 176.034 177.300 -0.151 0.000 1.216 1234 P CA -0.271 62.738 63.100 -0.152 0.000 0.776 1234 P CB 0.491 32.001 31.700 -0.317 0.000 0.881 1235 D N 2.246 122.573 120.400 -0.121 0.000 2.531 1235 D HA -0.059 4.581 4.640 -0.000 0.000 0.239 1235 D C 0.844 177.080 176.300 -0.107 0.000 1.144 1235 D CA 1.044 54.983 54.000 -0.102 0.000 0.869 1235 D CB -0.551 40.202 40.800 -0.080 0.000 1.160 1235 D HN 0.450 nan 8.370 nan 0.000 0.484 1236 N N -0.656 117.988 118.700 -0.093 0.000 2.965 1236 N HA -0.222 4.518 4.740 -0.000 0.000 0.232 1236 N C 0.007 175.468 175.510 -0.081 0.000 0.913 1236 N CA 0.624 53.626 53.050 -0.079 0.000 0.981 1236 N CB -0.942 37.500 38.487 -0.075 0.000 1.077 1236 N HN 0.529 nan 8.380 nan 0.000 0.589 1237 C N 2.010 121.251 119.300 -0.098 0.000 2.634 1237 C HA 0.185 4.645 4.460 -0.000 0.000 0.417 1237 C C -1.702 173.260 174.990 -0.046 0.000 1.334 1237 C CA -0.979 57.992 59.018 -0.079 0.000 1.829 1237 C CB -0.232 27.460 27.740 -0.080 0.000 2.665 1237 C HN 0.187 nan 8.230 nan 0.000 0.614 1238 P HA 0.143 nan 4.420 nan 0.000 0.268 1238 P C 0.308 177.622 177.300 0.024 0.000 1.205 1238 P CA 0.248 63.342 63.100 -0.009 0.000 0.771 1238 P CB 0.502 32.194 31.700 -0.013 0.000 0.858 1239 D N 1.714 122.129 120.400 0.025 0.000 2.190 1239 D HA -0.181 4.458 4.640 -0.000 0.000 0.200 1239 D C 1.529 177.877 176.300 0.081 0.000 0.992 1239 D CA 1.333 55.370 54.000 0.062 0.000 0.854 1239 D CB -0.330 40.493 40.800 0.039 0.000 0.936 1239 D HN 0.400 nan 8.370 nan 0.000 0.462 1240 M N -0.136 119.486 119.600 0.037 0.000 2.156 1240 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 1240 M C 1.787 178.087 176.300 0.000 0.000 1.067 1240 M CA 0.837 56.145 55.300 0.013 0.000 1.131 1240 M CB -0.015 32.583 32.600 -0.004 0.000 1.368 1240 M HN -0.009 nan 8.290 nan 0.000 0.416 1241 L N 0.465 121.694 121.223 0.011 0.000 2.056 1241 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 1241 L C 2.169 179.029 176.870 -0.017 0.000 1.078 1241 L CA 1.809 56.640 54.840 -0.014 0.000 0.749 1241 L CB -1.263 40.789 42.059 -0.011 0.000 0.901 1241 L HN 0.400 nan 8.230 nan 0.000 0.433 1242 F N -0.149 119.748 119.950 -0.089 0.000 2.325 1242 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 1242 F C 2.281 178.008 175.800 -0.120 0.000 1.090 1242 F CA 1.048 58.994 58.000 -0.089 0.000 1.392 1242 F CB 0.048 39.035 39.000 -0.021 0.000 1.053 1242 F HN 0.113 nan 8.300 nan 0.000 0.521 1243 E N 0.465 120.591 120.200 -0.122 0.000 2.152 1243 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 1243 E C 2.293 178.725 176.600 -0.279 0.000 0.983 1243 E CA 0.721 57.009 56.400 -0.188 0.000 0.818 1243 E CB -0.397 29.278 29.700 -0.041 0.000 0.758 1243 E HN 0.473 nan 8.360 nan 0.000 0.467 1244 L N -0.292 120.783 121.223 -0.246 0.000 2.027 1244 L HA -0.170 4.169 4.340 -0.000 0.000 0.206 1244 L C 2.204 178.816 176.870 -0.430 0.000 1.074 1244 L CA 1.215 55.912 54.840 -0.238 0.000 0.745 1244 L CB -0.264 41.714 42.059 -0.137 0.000 0.898 1244 L HN 0.291 nan 8.230 nan 0.000 0.433 1245 M N -0.981 118.225 119.600 -0.657 0.000 2.082 1245 M HA -0.305 4.175 4.480 -0.000 0.000 0.258 1245 M C 2.245 177.752 176.300 -1.321 0.000 1.069 1245 M CA 1.824 56.356 55.300 -1.280 0.000 1.102 1245 M CB -0.720 30.952 32.600 -1.546 0.000 1.336 1245 M HN 0.150 nan 8.290 nan 0.000 0.404 1246 R N 0.101 120.061 120.500 -0.899 0.000 2.159 1246 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 1246 R C 2.101 178.234 176.300 -0.278 0.000 1.131 1246 R CA 1.397 57.203 56.100 -0.489 0.000 0.982 1246 R CB -0.266 29.792 30.300 -0.403 0.000 0.868 1246 R HN 0.505 nan 8.270 nan 0.000 0.453 1247 M N -1.116 118.297 119.600 -0.312 0.000 2.248 1247 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 1247 M C 2.288 178.497 176.300 -0.152 0.000 1.079 1247 M CA 0.961 56.157 55.300 -0.173 0.000 1.150 1247 M CB -0.028 32.484 32.600 -0.148 0.000 1.366 1247 M HN 0.179 nan 8.290 nan 0.000 0.433 1248 C N -0.383 118.742 119.300 -0.291 0.000 2.432 1248 C HA -0.104 4.356 4.460 -0.000 0.000 0.282 1248 C C 1.647 176.624 174.990 -0.022 0.000 1.388 1248 C CA 0.170 59.071 59.018 -0.194 0.000 1.777 1248 C CB -1.122 26.434 27.740 -0.307 0.000 1.882 1248 C HN 0.654 nan 8.230 nan 0.000 0.520 1249 W N 0.324 121.502 121.300 -0.202 0.000 3.223 1249 W HA 0.356 5.016 4.660 -0.000 0.000 0.389 1249 W C 0.803 177.393 176.519 0.118 0.000 1.118 1249 W CA -0.832 56.353 57.345 -0.266 0.000 1.902 1249 W CB -1.268 27.842 29.460 -0.583 0.000 1.094 1249 W HN 0.276 nan 8.180 nan 0.000 0.666 1250 Q N 0.128 120.090 119.800 0.270 0.000 2.304 1250 Q HA -0.155 4.185 4.340 -0.000 0.000 0.301 1250 Q C 1.107 177.291 176.000 0.306 0.000 1.063 1250 Q CA 0.544 56.482 55.803 0.225 0.000 0.947 1250 Q CB 0.360 29.165 28.738 0.112 0.000 1.201 1250 Q HN 0.326 nan 8.270 nan 0.000 0.389 1251 Y N 3.145 123.536 120.300 0.152 0.000 2.163 1251 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 1251 Y C 0.658 176.573 175.900 0.025 0.000 1.136 1251 Y CA 1.455 59.614 58.100 0.099 0.000 1.147 1251 Y CB 0.210 38.689 38.460 0.033 0.000 0.987 1251 Y HN 0.709 nan 8.280 nan 0.000 0.509 1252 N N 1.434 120.220 118.700 0.143 0.000 2.420 1252 N HA 0.049 4.789 4.740 -0.000 0.000 0.262 1252 N C -2.184 173.269 175.510 -0.096 0.000 1.144 1252 N CA -1.954 51.097 53.050 0.002 0.000 0.952 1252 N CB 1.200 39.705 38.487 0.030 0.000 1.081 1252 N HN 0.040 nan 8.380 nan 0.000 0.480 1253 P HA -0.097 nan 4.420 nan 0.000 0.219 1253 P C 0.384 177.353 177.300 -0.552 0.000 1.146 1253 P CA 1.455 64.401 63.100 -0.257 0.000 0.808 1253 P CB 0.264 31.834 31.700 -0.217 0.000 0.779 1254 K N -1.374 118.709 120.400 -0.530 0.000 2.432 1254 K HA 0.100 4.420 4.320 -0.000 0.000 0.196 1254 K C 1.575 178.023 176.600 -0.253 0.000 1.038 1254 K CA 0.712 56.675 56.287 -0.540 0.000 0.986 1254 K CB -0.181 32.117 32.500 -0.337 0.000 0.782 1254 K HN 0.120 nan 8.250 nan 0.000 0.485 1255 M N 0.499 120.006 119.600 -0.157 0.000 2.495 1255 M HA 0.084 4.564 4.480 -0.000 0.000 0.237 1255 M C 0.167 176.442 176.300 -0.042 0.000 1.131 1255 M CA 0.417 55.676 55.300 -0.068 0.000 1.032 1255 M CB 0.015 32.599 32.600 -0.026 0.000 1.513 1255 M HN -0.018 nan 8.290 nan 0.000 0.488 1256 R N 1.010 121.479 120.500 -0.051 0.000 2.560 1256 R HA 0.308 4.648 4.340 -0.000 0.000 0.270 1256 R C -2.221 174.067 176.300 -0.021 0.000 1.074 1256 R CA -1.430 54.663 56.100 -0.013 0.000 1.140 1256 R CB -0.015 30.309 30.300 0.039 0.000 1.073 1256 R HN -0.036 nan 8.270 nan 0.000 0.527 1257 P HA 0.028 nan 4.420 nan 0.000 0.275 1257 P C -0.558 176.678 177.300 -0.106 0.000 1.228 1257 P CA -0.364 62.699 63.100 -0.062 0.000 0.786 1257 P CB 1.014 32.664 31.700 -0.084 0.000 0.927 1258 S N 1.140 116.802 115.700 -0.064 0.000 2.617 1258 S HA 0.186 4.656 4.470 -0.000 0.000 0.259 1258 S C 0.834 175.320 174.600 -0.191 0.000 1.301 1258 S CA -0.137 58.003 58.200 -0.100 0.000 0.984 1258 S CB -0.168 63.049 63.200 0.029 0.000 0.954 1258 S HN 0.201 nan 8.310 nan 0.000 0.572 1259 F N 0.065 120.001 119.950 -0.024 0.000 2.325 1259 F HA 0.129 4.656 4.527 -0.000 0.000 0.299 1259 F C 2.039 177.845 175.800 0.010 0.000 1.090 1259 F CA 0.661 58.605 58.000 -0.093 0.000 1.392 1259 F CB -0.594 38.338 39.000 -0.113 0.000 1.053 1259 F HN 0.414 nan 8.300 nan 0.000 0.521 1260 L N -0.447 120.929 121.223 0.255 0.000 2.056 1260 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 1260 L C 2.277 179.280 176.870 0.221 0.000 1.078 1260 L CA 1.497 56.518 54.840 0.301 0.000 0.749 1260 L CB -0.717 41.489 42.059 0.245 0.000 0.901 1260 L HN 0.151 nan 8.230 nan 0.000 0.433 1261 E N 0.387 120.655 120.200 0.113 0.000 2.085 1261 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 1261 E C 2.257 178.870 176.600 0.022 0.000 0.994 1261 E CA 1.254 57.691 56.400 0.061 0.000 0.801 1261 E CB -0.047 29.667 29.700 0.024 0.000 0.743 1261 E HN 0.457 nan 8.360 nan 0.000 0.453 1262 I N 0.858 121.425 120.570 -0.006 0.000 2.163 1262 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 1262 I C 2.399 178.496 176.117 -0.034 0.000 1.085 1262 I CA 1.210 62.494 61.300 -0.026 0.000 1.347 1262 I CB -0.487 37.473 38.000 -0.067 0.000 1.044 1262 I HN 0.136 nan 8.210 nan 0.000 0.408 1263 I N 0.476 121.024 120.570 -0.037 0.000 2.179 1263 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 1263 I C 2.861 178.801 176.117 -0.295 0.000 1.088 1263 I CA 1.557 62.758 61.300 -0.166 0.000 1.357 1263 I CB -0.434 37.456 38.000 -0.183 0.000 1.051 1263 I HN 0.237 nan 8.210 nan 0.000 0.409 1264 S N 0.715 116.289 115.700 -0.210 0.000 2.400 1264 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 1264 S C 2.200 176.755 174.600 -0.075 0.000 1.025 1264 S CA 1.999 60.122 58.200 -0.128 0.000 0.993 1264 S CB -0.433 62.824 63.200 0.094 0.000 0.808 1264 S HN 0.600 nan 8.310 nan 0.000 0.478 1265 S N 1.223 116.889 115.700 -0.058 0.000 2.489 1265 S HA 0.074 4.544 4.470 -0.000 0.000 0.228 1265 S C 1.600 176.166 174.600 -0.057 0.000 0.995 1265 S CA 0.647 58.823 58.200 -0.040 0.000 0.934 1265 S CB -0.710 62.473 63.200 -0.029 0.000 0.771 1265 S HN 0.868 nan 8.310 nan 0.000 0.522 1266 I N -1.667 118.846 120.570 -0.095 0.000 4.240 1266 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 1266 I C 1.636 177.661 176.117 -0.154 0.000 1.381 1266 I CA -0.482 60.754 61.300 -0.107 0.000 1.136 1266 I CB 0.067 38.004 38.000 -0.104 0.000 1.137 1266 I HN 0.118 nan 8.210 nan 0.000 0.411 1267 K N 1.606 121.904 120.400 -0.170 0.000 2.074 1267 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 1267 K C 1.375 177.949 176.600 -0.044 0.000 1.048 1267 K CA 2.018 58.207 56.287 -0.164 0.000 0.926 1267 K CB -0.445 31.965 32.500 -0.151 0.000 0.713 1267 K HN 0.250 nan 8.250 nan 0.000 0.444 1268 E N 0.552 120.749 120.200 -0.005 0.000 2.478 1268 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 1268 E C 1.092 177.681 176.600 -0.019 0.000 1.046 1268 E CA 0.629 57.039 56.400 0.018 0.000 0.870 1268 E CB 0.205 29.922 29.700 0.028 0.000 0.818 1268 E HN 0.351 nan 8.360 nan 0.000 0.527 1269 E N -0.777 119.387 120.200 -0.060 0.000 2.474 1269 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 1269 E C -0.163 176.382 176.600 -0.092 0.000 1.039 1269 E CA 0.064 56.425 56.400 -0.065 0.000 0.881 1269 E CB 0.299 29.958 29.700 -0.067 0.000 0.970 1269 E HN 0.081 nan 8.360 nan 0.000 0.486 1270 M N 1.326 120.841 119.600 -0.142 0.000 2.247 1270 M HA 0.161 4.641 4.480 -0.000 0.000 0.326 1270 M C 0.437 176.705 176.300 -0.054 0.000 1.134 1270 M CA -0.215 54.971 55.300 -0.190 0.000 1.136 1270 M CB 0.500 32.806 32.600 -0.490 0.000 1.454 1270 M HN -0.100 nan 8.290 nan 0.000 0.467 1271 E N 1.984 122.179 120.200 -0.009 0.000 2.415 1271 E HA 0.052 4.402 4.350 -0.000 0.000 0.262 1271 E C -1.597 175.064 176.600 0.101 0.000 1.038 1271 E CA -1.361 55.067 56.400 0.048 0.000 0.921 1271 E CB -0.206 29.533 29.700 0.066 0.000 0.950 1271 E HN 0.358 nan 8.360 nan 0.000 0.438 1272 P HA -0.158 nan 4.420 nan 0.000 0.217 1272 P C 1.311 178.678 177.300 0.111 0.000 1.148 1272 P CA 1.657 64.804 63.100 0.077 0.000 0.828 1272 P CB 0.105 31.830 31.700 0.042 0.000 0.783 1273 G N -1.258 107.622 108.800 0.132 0.000 2.462 1273 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 1273 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 1273 G C 1.334 176.345 174.900 0.186 0.000 1.121 1273 G CA 0.218 45.395 45.100 0.128 0.000 0.758 1273 G HN 0.149 nan 8.290 nan 0.000 0.559 1274 F N 1.856 121.875 119.950 0.116 0.000 2.045 1274 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 1274 F C 2.764 178.683 175.800 0.200 0.000 1.114 1274 F CA 2.221 60.341 58.000 0.201 0.000 1.207 1274 F CB -0.344 38.781 39.000 0.208 0.000 0.964 1274 F HN 0.191 nan 8.300 nan 0.000 0.486 1275 R N 0.521 121.106 120.500 0.142 0.000 2.154 1275 R HA -0.227 4.113 4.340 -0.000 0.000 0.248 1275 R C 1.674 177.925 176.300 -0.082 0.000 1.155 1275 R CA 2.317 58.315 56.100 -0.169 0.000 0.979 1275 R CB -0.491 29.572 30.300 -0.396 0.000 0.869 1275 R HN 0.470 nan 8.270 nan 0.000 0.452 1276 E N -1.125 119.041 120.200 -0.057 0.000 2.472 1276 E HA 0.019 4.369 4.350 -0.000 0.000 0.196 1276 E C 1.177 177.717 176.600 -0.100 0.000 1.033 1276 E CA 0.641 56.999 56.400 -0.070 0.000 0.886 1276 E CB 0.968 30.628 29.700 -0.067 0.000 0.944 1276 E HN 0.393 nan 8.360 nan 0.000 0.492 1277 V N -2.445 117.399 119.914 -0.118 0.000 3.562 1277 V HA 0.211 4.330 4.120 -0.000 0.000 0.270 1277 V C 0.770 176.797 176.094 -0.112 0.000 1.418 1277 V CA -0.079 62.094 62.300 -0.212 0.000 1.033 1277 V CB 0.554 32.134 31.823 -0.405 0.000 0.820 1277 V HN 0.101 nan 8.190 nan 0.000 0.441 1278 S N 0.052 115.674 115.700 -0.130 0.000 2.601 1278 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 1278 S C 0.668 175.293 174.600 0.042 0.000 1.305 1278 S CA 0.070 58.190 58.200 -0.134 0.000 1.022 1278 S CB 1.058 63.769 63.200 -0.814 0.000 0.940 1278 S HN 0.503 nan 8.310 nan 0.000 0.525 1279 F N 2.952 122.922 119.950 0.032 0.000 2.234 1279 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 1279 F C 1.775 177.622 175.800 0.077 0.000 1.087 1279 F CA 1.289 59.333 58.000 0.072 0.000 1.340 1279 F CB -0.601 38.488 39.000 0.148 0.000 1.031 1279 F HN 0.849 nan 8.300 nan 0.000 0.500 1280 Y N 0.156 120.378 120.300 -0.130 0.000 2.097 1280 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 1280 Y C 1.430 177.098 175.900 -0.388 0.000 1.152 1280 Y CA 2.194 60.126 58.100 -0.281 0.000 1.136 1280 Y CB -0.928 37.429 38.460 -0.172 0.000 0.975 1280 Y HN 0.120 nan 8.280 nan 0.000 0.498 1281 Y N 0.809 121.110 120.300 0.001 0.000 2.496 1281 Y HA 0.129 4.679 4.550 -0.000 0.000 0.313 1281 Y C 0.889 176.706 175.900 -0.139 0.000 1.184 1281 Y CA -0.240 57.829 58.100 -0.052 0.000 1.275 1281 Y CB -0.360 38.131 38.460 0.052 0.000 1.103 1281 Y HN 0.019 nan 8.280 nan 0.000 0.513 1282 S N -1.570 114.051 115.700 -0.131 0.000 2.722 1282 S HA 0.206 4.676 4.470 -0.000 0.000 0.292 1282 S C 1.004 175.519 174.600 -0.141 0.000 1.135 1282 S CA -0.908 57.226 58.200 -0.110 0.000 1.003 1282 S CB 1.451 64.597 63.200 -0.092 0.000 1.067 1282 S HN 0.204 nan 8.310 nan 0.000 0.546 1283 E N 1.222 121.381 120.200 -0.068 0.000 2.110 1283 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1283 E C 1.732 178.296 176.600 -0.060 0.000 0.988 1283 E CA 1.200 57.568 56.400 -0.053 0.000 0.804 1283 E CB -0.447 29.243 29.700 -0.016 0.000 0.745 1283 E HN 0.786 nan 8.360 nan 0.000 0.458 1284 E N 1.043 121.225 120.200 -0.030 0.000 2.086 1284 E HA -0.180 4.170 4.350 -0.000 0.000 0.200 1284 E C 1.286 177.845 176.600 -0.069 0.000 1.012 1284 E CA 0.742 57.164 56.400 0.036 0.000 0.812 1284 E CB -0.148 29.694 29.700 0.236 0.000 0.743 1284 E HN 0.070 nan 8.360 nan 0.000 0.453 1285 N N 0.000 118.495 118.700 -0.342 0.000 1.763 1285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1285 N CA 0.000 52.783 53.050 -0.445 0.000 0.885 1285 N CB 0.000 37.961 38.487 -0.877 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667