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 3ekn_1_A DATA FIRST_RESID 984 DATA SEQUENCE YVPDEWEVSR EKITLLRELG QGSFGMVYEG NARDIIKGEA ETRVAVKTVN DATA SEQUENCE ESASLRERIE FLNEASVMKG FTCHHVVRLL GVVSKGQPTL VVMELMAHGD DATA SEQUENCE LKSYLRSLRP EAENNPGRPP PTLQEMIQMA AEIADGMAYL NAKKFVHRNL DATA SEQUENCE AARNCMVAHD FTVKIGDFGM TRDIYETDYY RKXXXGLLPV RWMAPESLKD DATA SEQUENCE GVFTTSSDMW SFGVVLWEIT SLAEQPYQGL SNEQVLKFVM DGGYLDQPDN DATA SEQUENCE CPERVTDLMR MCWQFNPNMR PTFLEIVNLL KDDLHPSFPE VSFFHSEENK 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 984 Y HA 0.000 nan 4.550 nan 0.000 0.201 984 Y C 0.000 175.886 175.900 -0.023 0.000 1.272 984 Y CA 0.000 58.079 58.100 -0.036 0.000 1.940 984 Y CB 0.000 38.431 38.460 -0.048 0.000 1.050 985 V N 7.732 127.267 119.914 -0.632 0.000 2.577 985 V HA 0.550 4.664 4.120 -0.010 0.000 0.303 985 V C -2.189 173.559 176.094 -0.576 0.000 1.042 985 V CA -1.612 60.453 62.300 -0.392 0.000 0.872 985 V CB 2.047 33.741 31.823 -0.214 0.000 0.998 985 V HN 0.641 nan 8.190 nan 0.000 0.423 986 P HA 0.382 nan 4.420 nan 0.000 0.272 986 P C -1.355 175.915 177.300 -0.050 0.000 1.223 986 P CA 0.128 63.196 63.100 -0.054 0.000 0.784 986 P CB 1.257 33.007 31.700 0.083 0.000 0.923 987 D N -0.278 120.143 120.400 0.036 0.000 3.344 987 D HA 0.033 4.667 4.640 -0.010 0.000 0.308 987 D C 0.915 177.261 176.300 0.077 0.000 1.356 987 D CA -0.396 53.636 54.000 0.054 0.000 0.998 987 D CB -0.342 40.506 40.800 0.079 0.000 1.370 987 D HN 0.338 nan 8.370 nan 0.000 0.610 988 E N -0.168 120.054 120.200 0.037 0.000 2.463 988 E HA -0.132 4.212 4.350 -0.010 0.000 0.201 988 E C 0.765 177.290 176.600 -0.125 0.000 1.045 988 E CA 0.575 56.930 56.400 -0.075 0.000 0.872 988 E CB -0.491 29.110 29.700 -0.165 0.000 0.797 988 E HN 0.547 nan 8.360 nan 0.000 0.538 989 W N 1.596 122.897 121.300 0.002 0.000 2.905 989 W HA 0.143 4.796 4.660 -0.011 0.000 0.251 989 W C 0.750 177.283 176.519 0.023 0.000 1.305 989 W CA -0.259 57.094 57.345 0.012 0.000 1.465 989 W CB 0.131 29.604 29.460 0.021 0.000 1.122 989 W HN -0.020 nan 8.180 nan 0.000 0.659 990 E N 0.847 121.167 120.200 0.201 0.000 2.366 990 E HA 0.195 4.539 4.350 -0.010 0.000 0.266 990 E C -0.721 175.924 176.600 0.076 0.000 1.015 990 E CA 0.217 56.698 56.400 0.136 0.000 0.906 990 E CB 0.582 30.348 29.700 0.109 0.000 0.979 990 E HN -0.237 nan 8.360 nan 0.000 0.443 991 V N 4.277 124.230 119.914 0.067 0.000 2.656 991 V HA 0.269 4.383 4.120 -0.010 0.000 0.307 991 V C -0.384 175.726 176.094 0.025 0.000 1.051 991 V CA -0.838 61.484 62.300 0.037 0.000 0.893 991 V CB 2.260 34.107 31.823 0.041 0.000 0.999 991 V HN 0.768 nan 8.190 nan 0.000 0.426 992 S N 3.798 119.505 115.700 0.012 0.000 2.549 992 S HA 0.112 4.576 4.470 -0.010 0.000 0.286 992 S C 1.234 175.836 174.600 0.003 0.000 1.314 992 S CA -0.146 58.058 58.200 0.007 0.000 1.062 992 S CB 0.633 63.833 63.200 0.000 0.000 0.865 992 S HN 0.771 nan 8.310 nan 0.000 0.498 993 R N 2.375 122.875 120.500 -0.000 0.000 2.083 993 R HA -0.172 4.162 4.340 -0.010 0.000 0.237 993 R C 2.029 178.320 176.300 -0.014 0.000 1.137 993 R CA 1.994 58.089 56.100 -0.008 0.000 0.951 993 R CB -0.254 30.040 30.300 -0.010 0.000 0.851 993 R HN 0.889 nan 8.270 nan 0.000 0.434 994 E N 0.248 120.440 120.200 -0.013 0.000 2.401 994 E HA -0.195 4.149 4.350 -0.010 0.000 0.199 994 E C 1.297 177.888 176.600 -0.015 0.000 1.023 994 E CA 0.980 57.371 56.400 -0.016 0.000 0.859 994 E CB -0.054 29.639 29.700 -0.013 0.000 0.780 994 E HN 0.379 nan 8.360 nan 0.000 0.523 995 K N 0.397 120.790 120.400 -0.012 0.000 2.288 995 K HA 0.052 4.366 4.320 -0.010 0.000 0.201 995 K C 0.428 177.020 176.600 -0.014 0.000 1.048 995 K CA 0.382 56.662 56.287 -0.012 0.000 0.956 995 K CB 0.265 32.760 32.500 -0.008 0.000 0.746 995 K HN 0.152 nan 8.250 nan 0.000 0.461 996 I N 2.498 123.058 120.570 -0.017 0.000 2.321 996 I HA 0.078 4.242 4.170 -0.010 0.000 0.291 996 I C 0.126 176.223 176.117 -0.033 0.000 0.998 996 I CA -0.278 61.009 61.300 -0.021 0.000 1.227 996 I CB 0.854 38.842 38.000 -0.020 0.000 1.368 996 I HN -0.019 nan 8.210 nan 0.000 0.466 997 T N 5.460 119.995 114.554 -0.030 0.000 2.797 997 T HA 0.715 5.059 4.350 -0.010 0.000 0.279 997 T C -0.211 174.465 174.700 -0.040 0.000 0.991 997 T CA -0.776 61.301 62.100 -0.037 0.000 0.979 997 T CB 1.694 70.547 68.868 -0.025 0.000 0.943 997 T HN 0.303 nan 8.240 nan 0.000 0.444 998 L N 3.546 124.729 121.223 -0.066 0.000 2.325 998 L HA 0.466 4.800 4.340 -0.010 0.000 0.279 998 L C 0.791 177.654 176.870 -0.013 0.000 1.054 998 L CA -0.882 53.919 54.840 -0.065 0.000 0.804 998 L CB 1.396 43.323 42.059 -0.220 0.000 1.200 998 L HN 0.646 nan 8.230 nan 0.000 0.436 999 L N 2.257 123.504 121.223 0.040 0.000 2.526 999 L HA 0.298 4.632 4.340 -0.010 0.000 0.210 999 L C 0.438 177.353 176.870 0.075 0.000 1.048 999 L CA 0.156 55.022 54.840 0.044 0.000 0.852 999 L CB 0.263 42.340 42.059 0.030 0.000 1.128 999 L HN 0.689 nan 8.230 nan 0.000 0.482 1000 R N -0.541 120.038 120.500 0.131 0.000 2.728 1000 R HA 0.317 4.651 4.340 -0.010 0.000 0.274 1000 R C -1.354 175.042 176.300 0.160 0.000 1.032 1000 R CA -0.815 55.366 56.100 0.135 0.000 0.866 1000 R CB 1.120 31.457 30.300 0.062 0.000 1.263 1000 R HN -0.184 nan 8.270 nan 0.000 0.475 1001 E N 1.025 121.252 120.200 0.046 0.000 2.316 1001 E HA 0.125 4.469 4.350 -0.010 0.000 0.275 1001 E C 0.340 176.870 176.600 -0.117 0.000 1.029 1001 E CA -0.094 56.197 56.400 -0.182 0.000 0.871 1001 E CB 1.095 30.675 29.700 -0.199 0.000 1.022 1001 E HN 0.406 nan 8.360 nan 0.000 0.418 1002 L N 1.886 123.017 121.223 -0.152 0.000 2.316 1002 L HA 0.298 4.632 4.340 -0.010 0.000 0.207 1002 L C 1.066 177.883 176.870 -0.088 0.000 1.070 1002 L CA 0.373 55.164 54.840 -0.082 0.000 0.820 1002 L CB 0.121 42.150 42.059 -0.051 0.000 0.992 1002 L HN 0.712 nan 8.230 nan 0.000 0.466 1003 G N -1.033 107.686 108.800 -0.135 0.000 2.356 1003 G HA2 0.042 3.996 3.960 -0.010 0.000 0.300 1003 G HA3 0.042 3.996 3.960 -0.010 0.000 0.300 1003 G C -1.654 173.172 174.900 -0.124 0.000 1.331 1003 G CA -0.790 44.245 45.100 -0.109 0.000 0.905 1003 G HN -0.204 nan 8.290 nan 0.000 0.587 1004 Q N 0.425 120.166 119.800 -0.098 0.000 2.296 1004 Q HA 0.471 4.805 4.340 -0.010 0.000 0.263 1004 Q C 0.879 176.833 176.000 -0.078 0.000 1.026 1004 Q CA 0.486 56.233 55.803 -0.092 0.000 0.912 1004 Q CB 1.100 29.790 28.738 -0.081 0.000 1.198 1004 Q HN 0.919 nan 8.270 nan 0.000 0.407 1005 G N 0.972 109.734 108.800 -0.063 0.000 2.543 1005 G HA2 0.174 4.128 3.960 -0.010 0.000 0.290 1005 G HA3 0.174 4.128 3.960 -0.010 0.000 0.290 1005 G C 0.959 175.810 174.900 -0.081 0.000 1.310 1005 G CA 0.065 45.139 45.100 -0.044 0.000 1.025 1005 G HN 0.634 nan 8.290 nan 0.000 0.502 1006 S N -1.278 114.351 115.700 -0.118 0.000 2.399 1006 S HA -0.075 4.389 4.470 -0.010 0.000 0.231 1006 S C 1.712 176.101 174.600 -0.352 0.000 1.022 1006 S CA 1.232 59.266 58.200 -0.278 0.000 0.983 1006 S CB -0.283 62.675 63.200 -0.402 0.000 0.803 1006 S HN 0.336 nan 8.310 nan 0.000 0.480 1007 F N 1.957 121.854 119.950 -0.088 0.000 2.714 1007 F HA 0.524 5.044 4.527 -0.011 0.000 0.294 1007 F C 1.539 177.210 175.800 -0.214 0.000 1.120 1007 F CA 0.321 58.237 58.000 -0.140 0.000 1.398 1007 F CB 0.672 39.594 39.000 -0.129 0.000 1.120 1007 F HN 0.556 nan 8.300 nan 0.000 0.589 1008 G N -0.512 108.280 108.800 -0.014 0.000 2.343 1008 G HA2 0.258 4.212 3.960 -0.010 0.000 0.289 1008 G HA3 0.258 4.212 3.960 -0.010 0.000 0.289 1008 G C -1.456 173.400 174.900 -0.073 0.000 1.295 1008 G CA -1.128 43.928 45.100 -0.072 0.000 0.869 1008 G HN -0.157 nan 8.290 nan 0.000 0.522 1009 M N 0.763 120.307 119.600 -0.093 0.000 2.260 1009 M HA 0.484 4.958 4.480 -0.010 0.000 0.348 1009 M C 0.020 176.211 176.300 -0.181 0.000 1.342 1009 M CA -0.034 55.150 55.300 -0.193 0.000 1.040 1009 M CB 0.597 33.018 32.600 -0.297 0.000 1.810 1009 M HN 0.479 nan 8.290 nan 0.000 0.453 1010 V N 7.119 126.898 119.914 -0.224 0.000 2.472 1010 V HA 0.432 4.546 4.120 -0.010 0.000 0.290 1010 V C -0.854 175.085 176.094 -0.259 0.000 1.037 1010 V CA -0.594 61.641 62.300 -0.108 0.000 0.908 1010 V CB 1.140 32.946 31.823 -0.029 0.000 0.985 1010 V HN 0.744 nan 8.190 nan 0.000 0.454 1011 Y N 1.224 121.532 120.300 0.014 0.000 2.509 1011 Y HA 0.480 5.024 4.550 -0.011 0.000 0.341 1011 Y C 0.337 176.240 175.900 0.005 0.000 1.038 1011 Y CA -0.775 57.329 58.100 0.007 0.000 1.089 1011 Y CB 1.572 40.035 38.460 0.006 0.000 1.241 1011 Y HN 0.622 nan 8.280 nan 0.000 0.468 1012 E N 0.915 121.212 120.200 0.162 0.000 2.249 1012 E HA 0.599 4.943 4.350 -0.010 0.000 0.280 1012 E C -0.450 176.206 176.600 0.095 0.000 1.016 1012 E CA -0.280 56.176 56.400 0.092 0.000 0.830 1012 E CB 0.939 30.667 29.700 0.047 0.000 1.081 1012 E HN 0.892 nan 8.360 nan 0.000 0.395 1013 G N 2.865 111.697 108.800 0.054 0.000 2.827 1013 G HA2 0.299 4.253 3.960 -0.010 0.000 0.296 1013 G HA3 0.299 4.253 3.960 -0.010 0.000 0.296 1013 G C -1.243 173.661 174.900 0.006 0.000 1.362 1013 G CA -0.646 44.470 45.100 0.026 0.000 0.809 1013 G HN 0.532 nan 8.290 nan 0.000 0.522 1014 N N -0.202 118.495 118.700 -0.004 0.000 2.284 1014 N HA 0.669 5.403 4.740 -0.010 0.000 0.300 1014 N C -0.781 174.723 175.510 -0.010 0.000 1.047 1014 N CA -0.224 52.820 53.050 -0.011 0.000 0.821 1014 N CB 2.186 40.664 38.487 -0.015 0.000 1.337 1014 N HN 0.775 nan 8.380 nan 0.000 0.482 1015 A N 0.917 123.731 122.820 -0.010 0.000 2.331 1015 A HA 0.528 4.842 4.320 -0.010 0.000 0.320 1015 A C -0.050 177.526 177.584 -0.013 0.000 1.138 1015 A CA -0.694 51.338 52.037 -0.009 0.000 0.790 1015 A CB 0.922 19.921 19.000 -0.002 0.000 1.206 1015 A HN 0.416 nan 8.150 nan 0.000 0.470 1016 R N 2.375 122.867 120.500 -0.014 0.000 2.229 1016 R HA 0.407 4.741 4.340 -0.010 0.000 0.328 1016 R C -0.712 175.578 176.300 -0.017 0.000 1.009 1016 R CA 0.065 56.156 56.100 -0.016 0.000 0.864 1016 R CB -0.478 29.813 30.300 -0.015 0.000 1.085 1016 R HN 0.949 nan 8.270 nan 0.000 0.453 1017 D N 2.932 123.320 120.400 -0.019 0.000 2.697 1017 D HA -0.231 4.403 4.640 -0.010 0.000 0.238 1017 D C 0.503 176.787 176.300 -0.026 0.000 1.152 1017 D CA 1.257 55.243 54.000 -0.023 0.000 0.666 1017 D CB -0.728 40.058 40.800 -0.022 0.000 1.037 1017 D HN 0.658 nan 8.370 nan 0.000 0.423 1018 I N -0.643 119.912 120.570 -0.025 0.000 3.526 1018 I HA 0.099 4.263 4.170 -0.010 0.000 0.294 1018 I C 0.651 176.744 176.117 -0.040 0.000 1.229 1018 I CA 0.329 61.612 61.300 -0.027 0.000 1.408 1018 I CB 0.576 38.570 38.000 -0.010 0.000 1.127 1018 I HN -0.025 nan 8.210 nan 0.000 0.439 1019 I N 1.432 121.981 120.570 -0.035 0.000 2.474 1019 I HA 0.198 4.362 4.170 -0.010 0.000 0.294 1019 I C -0.030 176.065 176.117 -0.037 0.000 1.005 1019 I CA -0.738 60.539 61.300 -0.039 0.000 1.113 1019 I CB 1.780 39.764 38.000 -0.026 0.000 1.289 1019 I HN -0.093 nan 8.210 nan 0.000 0.436 1020 K N 4.107 124.481 120.400 -0.043 0.000 2.451 1020 K HA 0.245 4.559 4.320 -0.010 0.000 0.280 1020 K C 0.988 177.572 176.600 -0.027 0.000 1.020 1020 K CA 1.108 57.373 56.287 -0.037 0.000 1.008 1020 K CB 0.345 32.820 32.500 -0.041 0.000 0.917 1020 K HN 0.913 nan 8.250 nan 0.000 0.478 1021 G N 2.853 111.639 108.800 -0.023 0.000 2.159 1021 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.256 1021 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.256 1021 G C -0.502 174.387 174.900 -0.018 0.000 0.977 1021 G CA 0.287 45.376 45.100 -0.018 0.000 0.652 1021 G HN 0.647 nan 8.290 nan 0.000 0.531 1022 E N -0.636 119.552 120.200 -0.021 0.000 2.265 1022 E HA 0.609 4.953 4.350 -0.010 0.000 0.262 1022 E C 1.046 177.632 176.600 -0.022 0.000 0.889 1022 E CA -0.168 56.218 56.400 -0.022 0.000 0.789 1022 E CB 1.460 31.144 29.700 -0.025 0.000 1.221 1022 E HN 0.376 nan 8.360 nan 0.000 0.414 1023 A N 4.053 126.860 122.820 -0.021 0.000 1.865 1023 A HA -0.172 4.142 4.320 -0.010 0.000 0.217 1023 A C 0.746 178.317 177.584 -0.021 0.000 1.191 1023 A CA 1.558 53.584 52.037 -0.019 0.000 0.623 1023 A CB -0.250 18.740 19.000 -0.017 0.000 0.826 1023 A HN 0.688 nan 8.150 nan 0.000 0.444 1024 E N -2.367 117.819 120.200 -0.023 0.000 2.356 1024 E HA 0.621 4.965 4.350 -0.010 0.000 0.275 1024 E C -1.437 175.145 176.600 -0.031 0.000 0.904 1024 E CA -0.808 55.577 56.400 -0.024 0.000 0.757 1024 E CB 1.662 31.348 29.700 -0.023 0.000 1.232 1024 E HN -0.048 nan 8.360 nan 0.000 0.442 1025 T N 1.808 116.344 114.554 -0.029 0.000 2.848 1025 T HA 0.384 4.728 4.350 -0.010 0.000 0.285 1025 T C -0.494 174.186 174.700 -0.033 0.000 0.995 1025 T CA -0.879 61.200 62.100 -0.035 0.000 0.970 1025 T CB 1.037 69.890 68.868 -0.026 0.000 0.976 1025 T HN 0.350 nan 8.240 nan 0.000 0.441 1026 R N 1.902 122.372 120.500 -0.049 0.000 2.401 1026 R HA 0.475 4.809 4.340 -0.010 0.000 0.299 1026 R C 0.087 176.371 176.300 -0.027 0.000 1.064 1026 R CA -0.413 55.660 56.100 -0.044 0.000 1.000 1026 R CB 0.271 30.530 30.300 -0.070 0.000 0.973 1026 R HN 0.503 nan 8.270 nan 0.000 0.438 1027 V N -0.848 119.062 119.914 -0.007 0.000 2.914 1027 V HA 0.852 4.966 4.120 -0.010 0.000 0.314 1027 V C -0.367 175.744 176.094 0.027 0.000 1.084 1027 V CA -1.300 61.007 62.300 0.012 0.000 0.963 1027 V CB 2.030 33.865 31.823 0.020 0.000 1.025 1027 V HN 0.778 nan 8.190 nan 0.000 0.432 1028 A N 2.473 125.315 122.820 0.037 0.000 2.292 1028 A HA 0.818 5.132 4.320 -0.010 0.000 0.319 1028 A C -0.484 177.149 177.584 0.081 0.000 1.206 1028 A CA -0.616 51.456 52.037 0.058 0.000 0.835 1028 A CB 1.175 20.201 19.000 0.044 0.000 1.164 1028 A HN 1.337 nan 8.150 nan 0.000 0.505 1029 V N 4.109 124.098 119.914 0.125 0.000 2.357 1029 V HA 0.250 4.364 4.120 -0.010 0.000 0.284 1029 V C 0.074 176.296 176.094 0.214 0.000 1.018 1029 V CA -0.637 61.753 62.300 0.149 0.000 0.841 1029 V CB 1.151 33.049 31.823 0.125 0.000 0.991 1029 V HN 0.897 nan 8.190 nan 0.000 0.437 1030 K N 3.101 123.629 120.400 0.214 0.000 2.174 1030 K HA 0.628 4.942 4.320 -0.010 0.000 0.275 1030 K C 0.274 177.097 176.600 0.373 0.000 1.015 1030 K CA -0.328 56.135 56.287 0.293 0.000 0.933 1030 K CB 1.573 34.289 32.500 0.359 0.000 1.025 1030 K HN 0.852 nan 8.250 nan 0.000 0.463 1031 T N -2.287 112.362 114.554 0.158 0.000 2.907 1031 T HA 0.447 4.791 4.350 -0.010 0.000 0.290 1031 T C -0.819 173.515 174.700 -0.610 0.000 1.066 1031 T CA -0.897 61.146 62.100 -0.096 0.000 1.012 1031 T CB 1.630 70.541 68.868 0.072 0.000 1.184 1031 T HN 0.274 nan 8.240 nan 0.000 0.522 1032 V N 2.649 122.103 119.914 -0.767 0.000 2.459 1032 V HA 0.562 4.676 4.120 -0.010 0.000 0.295 1032 V C -0.610 175.330 176.094 -0.256 0.000 1.029 1032 V CA -0.922 61.000 62.300 -0.630 0.000 0.874 1032 V CB 1.053 32.371 31.823 -0.841 0.000 0.985 1032 V HN 1.145 nan 8.190 nan 0.000 0.438 1033 N N 4.721 123.334 118.700 -0.144 0.000 2.424 1033 N HA 0.307 5.041 4.740 -0.010 0.000 0.257 1033 N C 1.056 176.533 175.510 -0.055 0.000 1.250 1033 N CA 0.285 53.291 53.050 -0.074 0.000 0.946 1033 N CB 0.475 38.932 38.487 -0.050 0.000 1.175 1033 N HN 0.701 nan 8.380 nan 0.000 0.477 1034 E N 0.186 120.366 120.200 -0.033 0.000 2.147 1034 E HA -0.265 4.079 4.350 -0.010 0.000 0.199 1034 E C 1.717 178.307 176.600 -0.017 0.000 1.005 1034 E CA 2.277 58.663 56.400 -0.023 0.000 0.810 1034 E CB -1.408 28.285 29.700 -0.012 0.000 0.736 1034 E HN 0.809 nan 8.360 nan 0.000 0.460 1035 S N -0.322 115.370 115.700 -0.014 0.000 2.555 1035 S HA 0.449 4.913 4.470 -0.010 0.000 0.230 1035 S C 1.354 175.955 174.600 0.002 0.000 0.978 1035 S CA 0.399 58.596 58.200 -0.004 0.000 0.934 1035 S CB -0.392 62.806 63.200 -0.003 0.000 0.766 1035 S HN 1.051 nan 8.310 nan 0.000 0.533 1036 A N 2.560 125.379 122.820 -0.002 0.000 2.440 1036 A HA 0.545 4.859 4.320 -0.010 0.000 0.251 1036 A C 0.792 178.387 177.584 0.018 0.000 1.089 1036 A CA -0.127 51.919 52.037 0.015 0.000 0.779 1036 A CB 0.047 19.052 19.000 0.009 0.000 1.022 1036 A HN 0.712 nan 8.150 nan 0.000 0.492 1037 S N 2.037 117.758 115.700 0.034 0.000 2.589 1037 S HA 0.168 4.633 4.470 -0.010 0.000 0.265 1037 S C 1.080 175.698 174.600 0.031 0.000 1.342 1037 S CA 0.035 58.254 58.200 0.032 0.000 1.005 1037 S CB 0.393 63.618 63.200 0.042 0.000 0.909 1037 S HN 1.175 nan 8.310 nan 0.000 0.555 1038 L N 1.237 122.475 121.223 0.026 0.000 2.079 1038 L HA -0.083 4.251 4.340 -0.010 0.000 0.210 1038 L C 2.756 179.646 176.870 0.034 0.000 1.081 1038 L CA 2.165 57.019 54.840 0.023 0.000 0.752 1038 L CB -0.931 41.140 42.059 0.021 0.000 0.896 1038 L HN 0.947 nan 8.230 nan 0.000 0.433 1039 R N -0.474 120.053 120.500 0.045 0.000 2.091 1039 R HA -0.227 4.107 4.340 -0.010 0.000 0.238 1039 R C 2.243 178.594 176.300 0.085 0.000 1.136 1039 R CA 2.041 58.177 56.100 0.060 0.000 0.959 1039 R CB -0.345 29.992 30.300 0.062 0.000 0.856 1039 R HN 0.529 nan 8.270 nan 0.000 0.437 1040 E N -0.195 120.067 120.200 0.102 0.000 2.077 1040 E HA -0.174 4.170 4.350 -0.010 0.000 0.193 1040 E C 2.203 178.854 176.600 0.085 0.000 0.989 1040 E CA 1.371 57.875 56.400 0.173 0.000 0.800 1040 E CB 0.100 29.908 29.700 0.180 0.000 0.746 1040 E HN 0.343 nan 8.360 nan 0.000 0.452 1041 R N 0.139 120.655 120.500 0.026 0.000 2.091 1041 R HA -0.151 4.183 4.340 -0.010 0.000 0.238 1041 R C 2.362 178.654 176.300 -0.014 0.000 1.136 1041 R CA 1.421 57.511 56.100 -0.017 0.000 0.959 1041 R CB -0.352 29.940 30.300 -0.013 0.000 0.856 1041 R HN 0.230 nan 8.270 nan 0.000 0.437 1042 I N 0.763 121.334 120.570 0.002 0.000 2.226 1042 I HA -0.244 3.920 4.170 -0.010 0.000 0.245 1042 I C 2.080 178.183 176.117 -0.023 0.000 1.100 1042 I CA 1.393 62.690 61.300 -0.004 0.000 1.374 1042 I CB -0.309 37.709 38.000 0.029 0.000 1.057 1042 I HN 0.201 nan 8.210 nan 0.000 0.413 1043 E N 0.394 120.607 120.200 0.020 0.000 2.130 1043 E HA -0.274 4.070 4.350 -0.010 0.000 0.196 1043 E C 2.050 178.555 176.600 -0.160 0.000 0.998 1043 E CA 1.452 57.891 56.400 0.064 0.000 0.806 1043 E CB -0.228 29.638 29.700 0.276 0.000 0.738 1043 E HN 0.413 nan 8.360 nan 0.000 0.459 1044 F N 1.265 120.774 119.950 -0.735 0.000 2.095 1044 F HA -0.184 4.337 4.527 -0.009 0.000 0.298 1044 F C 1.865 177.335 175.800 -0.550 0.000 1.104 1044 F CA 1.383 58.688 58.000 -1.160 0.000 1.232 1044 F CB -0.245 38.150 39.000 -1.008 0.000 0.987 1044 F HN -0.076 nan 8.300 nan 0.000 0.475 1045 L N -0.075 120.856 121.223 -0.487 0.000 2.109 1045 L HA -0.209 4.125 4.340 -0.010 0.000 0.207 1045 L C 2.192 178.867 176.870 -0.326 0.000 1.086 1045 L CA 0.990 55.487 54.840 -0.572 0.000 0.760 1045 L CB -0.814 40.873 42.059 -0.619 0.000 0.910 1045 L HN 0.130 nan 8.230 nan 0.000 0.437 1046 N N 0.119 118.730 118.700 -0.147 0.000 2.149 1046 N HA -0.237 4.497 4.740 -0.010 0.000 0.188 1046 N C 1.690 177.186 175.510 -0.023 0.000 1.019 1046 N CA 1.196 54.230 53.050 -0.027 0.000 0.857 1046 N CB -0.150 38.358 38.487 0.036 0.000 0.997 1046 N HN 0.394 nan 8.380 nan 0.000 0.426 1047 E N 0.661 120.849 120.200 -0.021 0.000 2.038 1047 E HA -0.170 4.174 4.350 -0.010 0.000 0.195 1047 E C 1.834 178.410 176.600 -0.040 0.000 1.000 1047 E CA 1.342 57.807 56.400 0.109 0.000 0.803 1047 E CB -0.092 29.649 29.700 0.069 0.000 0.750 1047 E HN 0.325 nan 8.360 nan 0.000 0.448 1048 A N 0.509 123.174 122.820 -0.258 0.000 1.917 1048 A HA -0.231 4.083 4.320 -0.010 0.000 0.219 1048 A C 2.388 179.785 177.584 -0.312 0.000 1.182 1048 A CA 2.090 53.934 52.037 -0.321 0.000 0.633 1048 A CB -0.782 17.954 19.000 -0.440 0.000 0.819 1048 A HN 0.323 nan 8.150 nan 0.000 0.448 1049 S N -0.462 115.116 115.700 -0.203 0.000 2.365 1049 S HA -0.169 4.295 4.470 -0.010 0.000 0.225 1049 S C 1.883 176.286 174.600 -0.328 0.000 1.039 1049 S CA 1.573 59.660 58.200 -0.188 0.000 1.033 1049 S CB -0.610 62.563 63.200 -0.044 0.000 0.887 1049 S HN 0.377 nan 8.310 nan 0.000 0.447 1050 V N 2.617 122.331 119.914 -0.333 0.000 2.343 1050 V HA -0.176 3.938 4.120 -0.010 0.000 0.247 1050 V C 2.235 177.744 176.094 -0.974 0.000 1.051 1050 V CA 1.454 63.403 62.300 -0.585 0.000 1.036 1050 V CB -0.676 30.700 31.823 -0.745 0.000 0.654 1050 V HN 0.524 nan 8.190 nan 0.000 0.451 1051 M N -0.543 118.613 119.600 -0.741 0.000 2.460 1051 M HA -0.121 4.353 4.480 -0.010 0.000 0.263 1051 M C 1.992 177.894 176.300 -0.662 0.000 1.071 1051 M CA 1.329 56.190 55.300 -0.731 0.000 1.096 1051 M CB -1.073 31.351 32.600 -0.294 0.000 1.408 1051 M HN 0.359 nan 8.290 nan 0.000 0.463 1052 K N 0.650 120.603 120.400 -0.744 0.000 2.103 1052 K HA -0.091 4.223 4.320 -0.010 0.000 0.207 1052 K C 1.925 178.339 176.600 -0.310 0.000 1.048 1052 K CA 1.359 57.150 56.287 -0.827 0.000 0.930 1052 K CB -0.382 31.605 32.500 -0.855 0.000 0.716 1052 K HN 0.477 nan 8.250 nan 0.000 0.444 1053 G N 0.234 108.844 108.800 -0.317 0.000 3.088 1053 G HA2 0.015 3.969 3.960 -0.010 0.000 0.212 1053 G HA3 0.015 3.969 3.960 -0.010 0.000 0.212 1053 G C -0.236 174.806 174.900 0.236 0.000 1.173 1053 G CA -0.236 44.834 45.100 -0.050 0.000 0.779 1053 G HN -0.020 nan 8.290 nan 0.000 0.540 1054 F N 1.526 121.511 119.950 0.058 0.000 2.411 1054 F HA 0.459 4.979 4.527 -0.011 0.000 0.352 1054 F C 0.437 176.292 175.800 0.092 0.000 1.123 1054 F CA -1.937 56.164 58.000 0.167 0.000 1.044 1054 F CB 1.566 40.634 39.000 0.112 0.000 1.135 1054 F HN -0.051 nan 8.300 nan 0.000 0.461 1055 T N -0.262 114.439 114.554 0.246 0.000 3.226 1055 T HA 0.438 4.782 4.350 -0.010 0.000 0.378 1055 T C -0.872 173.665 174.700 -0.272 0.000 1.380 1055 T CA -0.556 61.572 62.100 0.047 0.000 1.396 1055 T CB 0.184 69.126 68.868 0.122 0.000 1.044 1055 T HN 0.632 nan 8.240 nan 0.000 0.586 1056 C N 3.010 122.037 119.300 -0.454 0.000 2.441 1056 C HA 0.564 5.018 4.460 -0.010 0.000 0.318 1056 C C 1.639 176.461 174.990 -0.280 0.000 1.222 1056 C CA -0.442 58.217 59.018 -0.598 0.000 1.474 1056 C CB 0.390 27.438 27.740 -1.153 0.000 2.125 1056 C HN 1.092 nan 8.230 nan 0.000 0.479 1057 H N 1.702 120.566 119.070 -0.344 0.000 2.489 1057 H HA -0.037 4.525 4.556 0.009 0.000 0.293 1057 H C 1.030 176.153 175.328 -0.343 0.000 1.066 1057 H CA 2.144 57.978 56.048 -0.356 0.000 1.305 1057 H CB -0.011 29.465 29.762 -0.477 0.000 1.386 1057 H HN 0.883 nan 8.280 nan 0.000 0.551 1058 H N -1.363 117.645 119.070 -0.105 0.000 2.487 1058 H HA 0.352 4.904 4.556 -0.007 0.000 0.290 1058 H C -0.705 174.561 175.328 -0.103 0.000 1.081 1058 H CA -0.294 55.697 56.048 -0.095 0.000 1.116 1058 H CB 0.754 30.528 29.762 0.021 0.000 1.560 1058 H HN 0.004 nan 8.280 nan 0.000 0.548 1059 V N 1.445 121.318 119.914 -0.068 0.000 2.588 1059 V HA 0.124 4.238 4.120 -0.010 0.000 0.304 1059 V C 0.203 176.283 176.094 -0.024 0.000 1.042 1059 V CA -1.151 61.127 62.300 -0.037 0.000 0.877 1059 V CB 2.375 34.159 31.823 -0.064 0.000 0.996 1059 V HN 0.006 nan 8.190 nan 0.000 0.425 1060 V N 5.611 125.530 119.914 0.009 0.000 2.557 1060 V HA 0.095 4.209 4.120 -0.010 0.000 0.301 1060 V C 0.739 176.858 176.094 0.041 0.000 1.026 1060 V CA 0.168 62.475 62.300 0.011 0.000 1.137 1060 V CB 0.137 31.971 31.823 0.019 0.000 0.917 1060 V HN 1.036 nan 8.190 nan 0.000 0.484 1061 R N 4.669 125.191 120.500 0.037 0.000 2.598 1061 R HA 0.753 5.087 4.340 -0.010 0.000 0.279 1061 R C -0.724 175.622 176.300 0.077 0.000 0.984 1061 R CA -0.941 55.201 56.100 0.070 0.000 0.999 1061 R CB 1.180 31.529 30.300 0.081 0.000 1.114 1061 R HN 0.484 nan 8.270 nan 0.000 0.493 1062 L N 2.772 124.042 121.223 0.078 0.000 2.349 1062 L HA 0.250 4.584 4.340 -0.010 0.000 0.275 1062 L C -0.245 176.793 176.870 0.280 0.000 1.115 1062 L CA 0.013 54.893 54.840 0.067 0.000 0.820 1062 L CB 1.008 42.970 42.059 -0.161 0.000 1.135 1062 L HN 0.887 nan 8.230 nan 0.000 0.445 1063 L N 3.897 125.265 121.223 0.242 0.000 2.577 1063 L HA 0.550 4.884 4.340 -0.010 0.000 0.225 1063 L C 0.810 177.866 176.870 0.309 0.000 1.053 1063 L CA 0.360 55.355 54.840 0.258 0.000 0.866 1063 L CB 0.290 42.420 42.059 0.119 0.000 1.132 1063 L HN 0.830 nan 8.230 nan 0.000 0.486 1064 G N -0.656 108.316 108.800 0.287 0.000 2.368 1064 G HA2 0.466 4.420 3.960 -0.010 0.000 0.293 1064 G HA3 0.466 4.420 3.960 -0.010 0.000 0.293 1064 G C -2.092 172.893 174.900 0.142 0.000 1.467 1064 G CA -0.416 44.842 45.100 0.262 0.000 0.804 1064 G HN -0.304 nan 8.290 nan 0.000 0.535 1065 V N -0.171 119.821 119.914 0.130 0.000 2.709 1065 V HA 0.603 4.717 4.120 -0.010 0.000 0.308 1065 V C -0.382 175.734 176.094 0.035 0.000 1.062 1065 V CA -0.719 61.598 62.300 0.029 0.000 0.901 1065 V CB 2.013 33.839 31.823 0.004 0.000 1.003 1065 V HN 0.769 nan 8.190 nan 0.000 0.425 1066 V N 3.783 123.695 119.914 -0.003 0.000 2.275 1066 V HA 0.298 4.412 4.120 -0.010 0.000 0.272 1066 V C 0.901 176.986 176.094 -0.016 0.000 1.028 1066 V CA 0.344 62.649 62.300 0.008 0.000 0.810 1066 V CB 0.956 32.785 31.823 0.010 0.000 1.043 1066 V HN 1.052 nan 8.190 nan 0.000 0.453 1067 S N 2.770 118.468 115.700 -0.003 0.000 2.512 1067 S HA 0.242 4.706 4.470 -0.010 0.000 0.216 1067 S C 0.564 175.174 174.600 0.016 0.000 1.006 1067 S CA -0.361 57.819 58.200 -0.032 0.000 0.915 1067 S CB 0.060 63.240 63.200 -0.033 0.000 0.824 1067 S HN 0.617 nan 8.310 nan 0.000 0.497 1068 K N 2.579 122.998 120.400 0.031 0.000 2.267 1068 K HA 0.560 4.874 4.320 -0.010 0.000 0.282 1068 K C 0.493 177.102 176.600 0.016 0.000 1.078 1068 K CA 0.184 56.489 56.287 0.030 0.000 0.903 1068 K CB 0.746 33.267 32.500 0.034 0.000 1.111 1068 K HN 0.450 nan 8.250 nan 0.000 0.475 1069 G N 2.259 111.066 108.800 0.013 0.000 2.781 1069 G HA2 -0.196 3.758 3.960 -0.010 0.000 0.683 1069 G HA3 -0.196 3.758 3.960 -0.010 0.000 0.683 1069 G C -1.102 173.799 174.900 0.001 0.000 1.390 1069 G CA -0.950 44.154 45.100 0.005 0.000 0.850 1069 G HN 0.444 nan 8.290 nan 0.000 0.557 1070 Q N 0.075 119.873 119.800 -0.003 0.000 2.266 1070 Q HA 0.608 4.942 4.340 -0.010 0.000 0.261 1070 Q C -1.971 174.021 176.000 -0.013 0.000 0.985 1070 Q CA -1.585 54.213 55.803 -0.008 0.000 0.873 1070 Q CB 1.587 30.318 28.738 -0.010 0.000 1.306 1070 Q HN 0.679 nan 8.270 nan 0.000 0.447 1071 P HA 0.197 nan 4.420 nan 0.000 0.280 1071 P C -0.609 176.693 177.300 0.004 0.000 1.244 1071 P CA -0.303 62.788 63.100 -0.016 0.000 0.784 1071 P CB 0.643 32.327 31.700 -0.026 0.000 0.913 1072 T N 3.172 117.740 114.554 0.024 0.000 2.870 1072 T HA 0.303 4.647 4.350 -0.010 0.000 0.300 1072 T C 0.224 175.020 174.700 0.160 0.000 0.989 1072 T CA 0.043 62.187 62.100 0.073 0.000 1.139 1072 T CB -0.050 68.880 68.868 0.103 0.000 0.920 1072 T HN 0.224 nan 8.240 nan 0.000 0.537 1073 L N 3.425 124.713 121.223 0.108 0.000 2.385 1073 L HA 0.597 4.931 4.340 -0.010 0.000 0.273 1073 L C -0.651 176.248 176.870 0.048 0.000 0.990 1073 L CA -1.146 53.767 54.840 0.121 0.000 0.821 1073 L CB 2.012 44.102 42.059 0.051 0.000 1.279 1073 L HN 0.310 nan 8.230 nan 0.000 0.412 1074 V N 4.057 124.012 119.914 0.068 0.000 2.357 1074 V HA 0.340 4.454 4.120 -0.010 0.000 0.284 1074 V C -0.033 176.068 176.094 0.011 0.000 1.018 1074 V CA -0.573 61.675 62.300 -0.085 0.000 0.841 1074 V CB 2.112 33.731 31.823 -0.340 0.000 0.991 1074 V HN 0.433 nan 8.190 nan 0.000 0.437 1075 V N 6.558 126.480 119.914 0.013 0.000 2.370 1075 V HA 0.525 4.639 4.120 -0.010 0.000 0.279 1075 V C 0.122 176.245 176.094 0.049 0.000 1.029 1075 V CA -0.374 61.952 62.300 0.044 0.000 0.870 1075 V CB 1.329 33.183 31.823 0.051 0.000 0.984 1075 V HN 0.704 nan 8.190 nan 0.000 0.451 1076 M N 3.145 122.773 119.600 0.046 0.000 2.724 1076 M HA 0.464 4.938 4.480 -0.010 0.000 0.310 1076 M C 0.148 176.472 176.300 0.040 0.000 1.217 1076 M CA -0.800 54.526 55.300 0.044 0.000 0.894 1076 M CB 1.897 34.518 32.600 0.034 0.000 1.719 1076 M HN 0.870 nan 8.290 nan 0.000 0.479 1077 E N 1.186 121.409 120.200 0.038 0.000 2.415 1077 E HA 0.214 4.558 4.350 -0.010 0.000 0.263 1077 E C -0.885 175.722 176.600 0.013 0.000 0.995 1077 E CA -0.479 55.935 56.400 0.023 0.000 0.915 1077 E CB 0.609 30.322 29.700 0.022 0.000 0.951 1077 E HN 0.476 nan 8.360 nan 0.000 0.449 1078 L N 4.006 125.229 121.223 0.000 0.000 2.453 1078 L HA 0.108 4.442 4.340 -0.010 0.000 0.272 1078 L C -0.377 176.489 176.870 -0.007 0.000 1.182 1078 L CA 0.290 55.126 54.840 -0.007 0.000 0.858 1078 L CB 0.773 42.817 42.059 -0.024 0.000 1.120 1078 L HN 0.685 nan 8.230 nan 0.000 0.474 1079 M N 5.929 125.524 119.600 -0.009 0.000 2.208 1079 M HA 0.271 4.745 4.480 -0.010 0.000 0.352 1079 M C 0.940 177.215 176.300 -0.041 0.000 1.137 1079 M CA -0.222 55.070 55.300 -0.013 0.000 1.091 1079 M CB 0.374 32.970 32.600 -0.007 0.000 1.309 1079 M HN 0.829 nan 8.290 nan 0.000 0.408 1080 A N 1.482 124.253 122.820 -0.082 0.000 2.121 1080 A HA -0.107 4.207 4.320 -0.010 0.000 0.218 1080 A C 1.367 178.770 177.584 -0.301 0.000 1.154 1080 A CA 1.290 53.216 52.037 -0.185 0.000 0.679 1080 A CB -0.479 18.384 19.000 -0.229 0.000 0.795 1080 A HN 0.747 nan 8.150 nan 0.000 0.458 1081 H N -0.688 118.329 119.070 -0.088 0.000 2.520 1081 H HA 0.332 4.881 4.556 -0.011 0.000 0.284 1081 H C 1.418 176.756 175.328 0.017 0.000 1.037 1081 H CA 0.541 56.558 56.048 -0.052 0.000 1.168 1081 H CB -0.236 29.411 29.762 -0.192 0.000 1.497 1081 H HN 0.621 nan 8.280 nan 0.000 0.547 1082 G N 1.856 110.698 108.800 0.069 0.000 2.642 1082 G HA2 -0.238 3.716 3.960 -0.010 0.000 0.231 1082 G HA3 -0.238 3.716 3.960 -0.010 0.000 0.231 1082 G C -0.235 174.708 174.900 0.073 0.000 1.338 1082 G CA -0.183 44.962 45.100 0.074 0.000 0.883 1082 G HN 0.467 nan 8.290 nan 0.000 0.570 1083 D N -0.067 120.380 120.400 0.078 0.000 2.362 1083 D HA 0.266 4.900 4.640 -0.010 0.000 0.242 1083 D C 1.699 178.074 176.300 0.124 0.000 1.132 1083 D CA -0.136 53.908 54.000 0.074 0.000 0.907 1083 D CB 1.565 42.397 40.800 0.053 0.000 1.195 1083 D HN 0.639 nan 8.370 nan 0.000 0.429 1084 L N 1.776 123.068 121.223 0.114 0.000 2.131 1084 L HA -0.168 4.166 4.340 -0.010 0.000 0.210 1084 L C 2.381 179.372 176.870 0.200 0.000 1.092 1084 L CA 1.709 56.649 54.840 0.167 0.000 0.759 1084 L CB -0.808 41.329 42.059 0.129 0.000 0.903 1084 L HN 0.578 nan 8.230 nan 0.000 0.435 1085 K N -0.652 119.839 120.400 0.151 0.000 2.002 1085 K HA -0.176 4.138 4.320 -0.010 0.000 0.209 1085 K C 2.152 178.827 176.600 0.125 0.000 1.048 1085 K CA 1.768 58.141 56.287 0.143 0.000 0.930 1085 K CB -0.219 32.360 32.500 0.131 0.000 0.714 1085 K HN 0.594 nan 8.250 nan 0.000 0.438 1086 S N -0.351 115.423 115.700 0.124 0.000 2.423 1086 S HA -0.179 4.285 4.470 -0.010 0.000 0.231 1086 S C 2.011 176.690 174.600 0.132 0.000 1.014 1086 S CA 0.760 59.024 58.200 0.108 0.000 0.965 1086 S CB -0.646 62.612 63.200 0.098 0.000 0.785 1086 S HN 0.504 nan 8.310 nan 0.000 0.495 1087 Y N 2.536 122.876 120.300 0.067 0.000 2.163 1087 Y HA 0.054 4.599 4.550 -0.008 0.000 0.288 1087 Y C 1.944 177.872 175.900 0.047 0.000 1.136 1087 Y CA 1.325 59.471 58.100 0.075 0.000 1.147 1087 Y CB -0.533 37.983 38.460 0.094 0.000 0.987 1087 Y HN 0.203 nan 8.280 nan 0.000 0.509 1088 L N 0.021 121.222 121.223 -0.037 0.000 2.046 1088 L HA -0.235 4.099 4.340 -0.010 0.000 0.208 1088 L C 2.615 179.405 176.870 -0.132 0.000 1.077 1088 L CA 1.532 56.295 54.840 -0.129 0.000 0.747 1088 L CB -0.566 41.495 42.059 0.002 0.000 0.896 1088 L HN 0.138 nan 8.230 nan 0.000 0.432 1089 R N -0.073 120.393 120.500 -0.056 0.000 2.120 1089 R HA -0.121 4.213 4.340 -0.010 0.000 0.234 1089 R C 2.517 178.777 176.300 -0.068 0.000 1.123 1089 R CA 1.556 57.630 56.100 -0.042 0.000 0.975 1089 R CB -0.480 29.823 30.300 0.005 0.000 0.866 1089 R HN 0.504 nan 8.270 nan 0.000 0.446 1090 S N 0.510 116.153 115.700 -0.094 0.000 2.474 1090 S HA -0.030 4.434 4.470 -0.010 0.000 0.235 1090 S C 1.788 176.303 174.600 -0.143 0.000 0.997 1090 S CA 0.729 58.872 58.200 -0.095 0.000 0.949 1090 S CB -0.121 63.039 63.200 -0.067 0.000 0.766 1090 S HN 0.260 nan 8.310 nan 0.000 0.517 1091 L N 0.245 121.345 121.223 -0.205 0.000 2.585 1091 L HA 0.280 4.614 4.340 -0.010 0.000 0.226 1091 L C 1.083 177.873 176.870 -0.134 0.000 1.113 1091 L CA -0.292 54.426 54.840 -0.203 0.000 0.876 1091 L CB -0.051 41.829 42.059 -0.298 0.000 1.072 1091 L HN 0.124 nan 8.230 nan 0.000 0.468 1092 R N 1.265 121.701 120.500 -0.108 0.000 2.756 1092 R HA -0.014 4.320 4.340 -0.010 0.000 0.264 1092 R C -1.174 175.087 176.300 -0.065 0.000 1.026 1092 R CA -1.058 54.994 56.100 -0.081 0.000 1.121 1092 R CB 0.009 30.271 30.300 -0.063 0.000 0.999 1092 R HN -0.109 nan 8.270 nan 0.000 0.449 1093 P HA -0.198 nan 4.420 nan 0.000 0.216 1093 P C 0.285 177.564 177.300 -0.035 0.000 1.153 1093 P CA 1.514 64.588 63.100 -0.045 0.000 0.858 1093 P CB 0.240 31.916 31.700 -0.041 0.000 0.789 1094 E N -0.764 119.417 120.200 -0.032 0.000 2.479 1094 E HA 0.207 4.551 4.350 -0.010 0.000 0.193 1094 E C 0.761 177.350 176.600 -0.019 0.000 1.049 1094 E CA -0.243 56.144 56.400 -0.022 0.000 0.870 1094 E CB -0.265 29.424 29.700 -0.018 0.000 0.944 1094 E HN 0.163 nan 8.360 nan 0.000 0.492 1095 A N 1.247 124.052 122.820 -0.025 0.000 2.524 1095 A HA 0.255 4.569 4.320 -0.010 0.000 0.250 1095 A C 1.377 178.953 177.584 -0.012 0.000 1.078 1095 A CA 0.783 52.808 52.037 -0.020 0.000 0.761 1095 A CB 0.072 19.053 19.000 -0.032 0.000 1.012 1095 A HN 0.276 nan 8.150 nan 0.000 0.500 1096 E N 2.347 122.544 120.200 -0.004 0.000 2.358 1096 E HA -0.147 4.197 4.350 -0.010 0.000 0.195 1096 E C 0.909 177.513 176.600 0.006 0.000 1.010 1096 E CA 1.084 57.484 56.400 0.001 0.000 0.856 1096 E CB -0.542 29.161 29.700 0.004 0.000 0.795 1096 E HN 0.901 nan 8.360 nan 0.000 0.504 1097 N N 0.495 119.199 118.700 0.007 0.000 2.320 1097 N HA -0.016 4.718 4.740 -0.010 0.000 0.237 1097 N C -0.221 175.298 175.510 0.014 0.000 1.129 1097 N CA -0.362 52.699 53.050 0.017 0.000 0.854 1097 N CB -0.308 38.194 38.487 0.026 0.000 1.083 1097 N HN 0.169 nan 8.380 nan 0.000 0.504 1098 N N 2.776 121.475 118.700 -0.001 0.000 2.452 1098 N HA 0.057 4.791 4.740 -0.010 0.000 0.266 1098 N C -1.386 174.127 175.510 0.005 0.000 1.209 1098 N CA -0.797 52.244 53.050 -0.015 0.000 0.929 1098 N CB 1.129 39.600 38.487 -0.027 0.000 1.063 1098 N HN 0.161 nan 8.380 nan 0.000 0.472 1099 P HA 0.112 nan 4.420 nan 0.000 0.247 1099 P C 0.467 177.785 177.300 0.029 0.000 1.225 1099 P CA 0.347 63.475 63.100 0.047 0.000 0.768 1099 P CB -0.042 31.712 31.700 0.089 0.000 1.020 1100 G N 0.410 109.211 108.800 0.002 0.000 2.143 1100 G HA2 -0.229 3.725 3.960 -0.010 0.000 0.248 1100 G HA3 -0.229 3.725 3.960 -0.010 0.000 0.248 1100 G C 0.119 175.008 174.900 -0.017 0.000 0.991 1100 G CA -0.358 44.739 45.100 -0.005 0.000 0.689 1100 G HN 0.391 nan 8.290 nan 0.000 0.522 1101 R N -0.147 120.332 120.500 -0.034 0.000 2.668 1101 R HA 0.550 4.884 4.340 -0.010 0.000 0.279 1101 R C -2.607 173.646 176.300 -0.079 0.000 0.976 1101 R CA -1.830 54.236 56.100 -0.058 0.000 0.978 1101 R CB 0.908 31.162 30.300 -0.076 0.000 1.133 1101 R HN 0.076 nan 8.270 nan 0.000 0.484 1102 P HA 0.166 nan 4.420 nan 0.000 0.274 1102 P C -2.254 174.982 177.300 -0.108 0.000 1.231 1102 P CA -1.114 61.935 63.100 -0.085 0.000 0.790 1102 P CB -0.164 31.492 31.700 -0.074 0.000 0.951 1103 P HA 0.096 nan 4.420 nan 0.000 0.271 1103 P C -2.468 174.770 177.300 -0.105 0.000 1.233 1103 P CA -0.837 62.192 63.100 -0.119 0.000 0.795 1103 P CB -1.191 30.446 31.700 -0.106 0.000 0.936 1104 P HA 0.057 nan 4.420 nan 0.000 0.268 1104 P C 0.257 177.515 177.300 -0.071 0.000 1.204 1104 P CA 0.205 63.262 63.100 -0.071 0.000 0.768 1104 P CB -0.050 31.627 31.700 -0.038 0.000 0.842 1105 T N 0.540 115.053 114.554 -0.068 0.000 2.788 1105 T HA 0.077 4.421 4.350 -0.010 0.000 0.287 1105 T C 1.153 175.820 174.700 -0.056 0.000 1.007 1105 T CA -0.617 61.446 62.100 -0.061 0.000 1.005 1105 T CB 0.298 69.132 68.868 -0.056 0.000 1.012 1105 T HN 0.161 nan 8.240 nan 0.000 0.530 1106 L N 0.721 121.912 121.223 -0.054 0.000 2.013 1106 L HA -0.125 4.209 4.340 -0.010 0.000 0.212 1106 L C 2.900 179.740 176.870 -0.050 0.000 1.073 1106 L CA 2.227 57.035 54.840 -0.054 0.000 0.753 1106 L CB -1.273 40.756 42.059 -0.050 0.000 0.890 1106 L HN 0.983 nan 8.230 nan 0.000 0.432 1107 Q N -0.528 119.246 119.800 -0.044 0.000 2.045 1107 Q HA -0.298 4.036 4.340 -0.010 0.000 0.206 1107 Q C 2.117 178.096 176.000 -0.036 0.000 0.991 1107 Q CA 2.550 58.330 55.803 -0.038 0.000 0.851 1107 Q CB -0.235 28.486 28.738 -0.029 0.000 0.911 1107 Q HN 0.699 nan 8.270 nan 0.000 0.418 1108 E N -0.186 119.992 120.200 -0.038 0.000 2.085 1108 E HA -0.216 4.128 4.350 -0.010 0.000 0.194 1108 E C 2.115 178.701 176.600 -0.024 0.000 0.994 1108 E CA 1.537 57.917 56.400 -0.033 0.000 0.801 1108 E CB -0.121 29.550 29.700 -0.048 0.000 0.743 1108 E HN 0.470 nan 8.360 nan 0.000 0.453 1109 M N 0.204 119.783 119.600 -0.035 0.000 2.117 1109 M HA -0.163 4.311 4.480 -0.010 0.000 0.262 1109 M C 2.183 178.458 176.300 -0.041 0.000 1.065 1109 M CA 1.003 56.281 55.300 -0.038 0.000 1.114 1109 M CB -0.135 32.431 32.600 -0.057 0.000 1.361 1109 M HN 0.124 nan 8.290 nan 0.000 0.408 1110 I N 0.315 120.855 120.570 -0.050 0.000 2.286 1110 I HA -0.267 3.897 4.170 -0.010 0.000 0.248 1110 I C 2.455 178.531 176.117 -0.068 0.000 1.115 1110 I CA 1.632 62.897 61.300 -0.060 0.000 1.392 1110 I CB -1.263 36.695 38.000 -0.071 0.000 1.065 1110 I HN 0.372 nan 8.210 nan 0.000 0.418 1111 Q N 0.747 120.512 119.800 -0.057 0.000 2.046 1111 Q HA -0.155 4.179 4.340 -0.010 0.000 0.200 1111 Q C 2.319 178.304 176.000 -0.025 0.000 0.975 1111 Q CA 1.653 57.422 55.803 -0.057 0.000 0.836 1111 Q CB -0.183 28.548 28.738 -0.011 0.000 0.896 1111 Q HN 0.379 nan 8.270 nan 0.000 0.428 1112 M N -0.540 119.062 119.600 0.002 0.000 2.082 1112 M HA -0.247 4.227 4.480 -0.010 0.000 0.258 1112 M C 2.161 178.500 176.300 0.064 0.000 1.069 1112 M CA 1.775 57.093 55.300 0.030 0.000 1.102 1112 M CB -0.507 32.112 32.600 0.032 0.000 1.336 1112 M HN 0.399 nan 8.290 nan 0.000 0.404 1113 A N 0.209 123.069 122.820 0.067 0.000 1.865 1113 A HA -0.139 4.175 4.320 -0.010 0.000 0.217 1113 A C 2.326 180.048 177.584 0.231 0.000 1.191 1113 A CA 2.213 54.371 52.037 0.202 0.000 0.623 1113 A CB -1.096 17.980 19.000 0.126 0.000 0.826 1113 A HN 0.545 nan 8.150 nan 0.000 0.444 1114 A N -0.576 122.263 122.820 0.031 0.000 1.933 1114 A HA -0.152 4.162 4.320 -0.010 0.000 0.218 1114 A C 1.928 179.529 177.584 0.028 0.000 1.175 1114 A CA 1.699 53.695 52.037 -0.068 0.000 0.628 1114 A CB -0.525 18.239 19.000 -0.394 0.000 0.814 1114 A HN 0.647 nan 8.150 nan 0.000 0.444 1115 E N -0.346 119.840 120.200 -0.023 0.000 2.051 1115 E HA -0.167 4.177 4.350 -0.010 0.000 0.192 1115 E C 1.869 178.404 176.600 -0.109 0.000 0.991 1115 E CA 1.391 57.651 56.400 -0.232 0.000 0.799 1115 E CB -0.286 29.302 29.700 -0.186 0.000 0.748 1115 E HN 0.691 nan 8.360 nan 0.000 0.449 1116 I N 0.959 121.565 120.570 0.060 0.000 2.179 1116 I HA -0.277 3.887 4.170 -0.010 0.000 0.242 1116 I C 2.480 178.608 176.117 0.019 0.000 1.088 1116 I CA 1.077 62.451 61.300 0.122 0.000 1.357 1116 I CB -0.252 37.950 38.000 0.336 0.000 1.051 1116 I HN 0.094 nan 8.210 nan 0.000 0.409 1117 A N 0.083 122.917 122.820 0.024 0.000 1.933 1117 A HA -0.290 4.024 4.320 -0.010 0.000 0.218 1117 A C 1.976 179.573 177.584 0.021 0.000 1.175 1117 A CA 2.287 54.260 52.037 -0.107 0.000 0.628 1117 A CB -0.718 18.217 19.000 -0.108 0.000 0.814 1117 A HN 0.471 nan 8.150 nan 0.000 0.444 1118 D N -0.830 119.645 120.400 0.125 0.000 2.117 1118 D HA -0.020 4.614 4.640 -0.010 0.000 0.198 1118 D C 2.013 178.448 176.300 0.225 0.000 0.982 1118 D CA 1.605 55.778 54.000 0.287 0.000 0.828 1118 D CB -0.399 40.657 40.800 0.427 0.000 0.967 1118 D HN 0.284 nan 8.370 nan 0.000 0.464 1119 G N 0.238 109.111 108.800 0.121 0.000 2.446 1119 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.217 1119 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.217 1119 G C 1.529 176.375 174.900 -0.090 0.000 1.168 1119 G CA 0.918 46.043 45.100 0.043 0.000 0.771 1119 G HN 0.179 nan 8.290 nan 0.000 0.551 1120 M N 1.153 120.583 119.600 -0.283 0.000 2.159 1120 M HA 0.069 4.543 4.480 -0.010 0.000 0.263 1120 M C 3.019 179.075 176.300 -0.407 0.000 1.063 1120 M CA 1.170 56.107 55.300 -0.604 0.000 1.110 1120 M CB -1.306 30.332 32.600 -1.603 0.000 1.374 1120 M HN 0.324 nan 8.290 nan 0.000 0.411 1121 A N -0.784 121.951 122.820 -0.142 0.000 1.908 1121 A HA -0.233 4.081 4.320 -0.010 0.000 0.218 1121 A C 2.162 179.682 177.584 -0.107 0.000 1.181 1121 A CA 1.526 53.643 52.037 0.133 0.000 0.627 1121 A CB -1.171 18.089 19.000 0.433 0.000 0.818 1121 A HN 0.499 nan 8.150 nan 0.000 0.445 1122 Y N 0.483 120.504 120.300 -0.466 0.000 2.145 1122 Y HA -0.185 4.361 4.550 -0.006 0.000 0.286 1122 Y C 2.020 177.582 175.900 -0.562 0.000 1.145 1122 Y CA 1.937 59.475 58.100 -0.938 0.000 1.148 1122 Y CB -0.311 37.737 38.460 -0.687 0.000 0.981 1122 Y HN 0.227 nan 8.280 nan 0.000 0.507 1123 L N 0.293 121.335 121.223 -0.302 0.000 2.017 1123 L HA -0.285 4.049 4.340 -0.010 0.000 0.208 1123 L C 2.537 179.343 176.870 -0.107 0.000 1.073 1123 L CA 1.872 56.563 54.840 -0.249 0.000 0.745 1123 L CB -0.831 41.168 42.059 -0.100 0.000 0.894 1123 L HN 0.402 nan 8.230 nan 0.000 0.432 1124 N N 0.358 119.013 118.700 -0.076 0.000 2.149 1124 N HA -0.206 4.528 4.740 -0.010 0.000 0.188 1124 N C 1.801 177.288 175.510 -0.039 0.000 1.019 1124 N CA 1.312 54.372 53.050 0.016 0.000 0.857 1124 N CB 0.139 38.700 38.487 0.122 0.000 0.997 1124 N HN 0.339 nan 8.380 nan 0.000 0.426 1125 A N 0.910 123.639 122.820 -0.153 0.000 1.968 1125 A HA -0.026 4.288 4.320 -0.010 0.000 0.217 1125 A C 1.962 179.425 177.584 -0.201 0.000 1.169 1125 A CA 0.920 52.865 52.037 -0.153 0.000 0.638 1125 A CB -0.075 18.795 19.000 -0.218 0.000 0.812 1125 A HN 0.129 nan 8.150 nan 0.000 0.446 1126 K N -0.612 119.614 120.400 -0.289 0.000 2.487 1126 K HA 0.088 4.402 4.320 -0.010 0.000 0.192 1126 K C -0.048 176.505 176.600 -0.079 0.000 1.027 1126 K CA 0.387 56.587 56.287 -0.146 0.000 1.054 1126 K CB -0.027 32.382 32.500 -0.152 0.000 0.824 1126 K HN 0.582 nan 8.250 nan 0.000 0.510 1127 K N -0.404 119.932 120.400 -0.107 0.000 3.379 1127 K HA -0.146 4.168 4.320 -0.010 0.000 0.300 1127 K C -0.824 175.595 176.600 -0.301 0.000 1.302 1127 K CA 0.250 56.426 56.287 -0.185 0.000 0.877 1127 K CB -1.686 30.674 32.500 -0.232 0.000 1.343 1127 K HN -0.009 nan 8.250 nan 0.000 0.488 1128 F N 0.533 120.469 119.950 -0.023 0.000 2.408 1128 F HA 0.306 4.827 4.527 -0.010 0.000 0.344 1128 F C 0.881 176.730 175.800 0.082 0.000 1.112 1128 F CA -0.875 57.149 58.000 0.041 0.000 1.096 1128 F CB 1.248 40.290 39.000 0.070 0.000 1.129 1128 F HN -0.303 nan 8.300 nan 0.000 0.486 1129 V N 4.424 124.491 119.914 0.255 0.000 2.383 1129 V HA 0.072 4.186 4.120 -0.010 0.000 0.275 1129 V C 1.087 177.343 176.094 0.270 0.000 1.036 1129 V CA -0.430 62.020 62.300 0.250 0.000 0.889 1129 V CB 0.882 32.829 31.823 0.206 0.000 0.985 1129 V HN 0.840 nan 8.190 nan 0.000 0.459 1130 H N 5.167 124.347 119.070 0.183 0.000 2.276 1130 H HA -0.021 4.529 4.556 -0.011 0.000 0.301 1130 H C 1.617 176.982 175.328 0.061 0.000 1.073 1130 H CA 2.116 58.241 56.048 0.128 0.000 1.311 1130 H CB 0.369 30.189 29.762 0.096 0.000 1.379 1130 H HN 0.712 nan 8.280 nan 0.000 0.494 1131 R N -1.567 119.107 120.500 0.289 0.000 3.785 1131 R HA -0.144 4.190 4.340 -0.010 0.000 0.476 1131 R C 0.193 176.585 176.300 0.153 0.000 0.905 1131 R CA 1.123 57.290 56.100 0.111 0.000 1.412 1131 R CB -1.267 28.878 30.300 -0.259 0.000 2.077 1131 R HN 0.370 nan 8.270 nan 0.000 0.504 1132 N N 0.303 119.220 118.700 0.362 0.000 2.305 1132 N HA 0.076 4.810 4.740 -0.010 0.000 0.248 1132 N C -0.819 174.814 175.510 0.206 0.000 1.290 1132 N CA -0.297 52.890 53.050 0.228 0.000 0.873 1132 N CB 0.687 39.215 38.487 0.067 0.000 1.261 1132 N HN -0.041 nan 8.380 nan 0.000 0.504 1133 L N 2.176 123.471 121.223 0.120 0.000 2.500 1133 L HA 0.403 4.737 4.340 -0.010 0.000 0.272 1133 L C -0.073 176.825 176.870 0.046 0.000 1.149 1133 L CA 0.122 54.916 54.840 -0.077 0.000 0.897 1133 L CB -0.185 41.867 42.059 -0.013 0.000 1.178 1133 L HN 0.184 nan 8.230 nan 0.000 0.473 1134 A N 3.994 126.784 122.820 -0.050 0.000 2.608 1134 A HA 0.706 5.020 4.320 -0.010 0.000 0.292 1134 A C 0.564 178.175 177.584 0.045 0.000 1.066 1134 A CA -0.161 51.806 52.037 -0.117 0.000 0.676 1134 A CB 0.521 18.998 19.000 -0.873 0.000 1.277 1134 A HN 0.960 nan 8.150 nan 0.000 0.413 1135 A N 0.739 123.680 122.820 0.201 0.000 1.978 1135 A HA -0.172 4.142 4.320 -0.010 0.000 0.220 1135 A C 1.937 179.575 177.584 0.089 0.000 1.170 1135 A CA 2.143 54.281 52.037 0.168 0.000 0.636 1135 A CB -0.599 18.539 19.000 0.229 0.000 0.810 1135 A HN 1.140 nan 8.150 nan 0.000 0.448 1136 R N -0.914 119.604 120.500 0.030 0.000 2.237 1136 R HA 0.017 4.351 4.340 -0.010 0.000 0.219 1136 R C 0.691 176.981 176.300 -0.016 0.000 1.080 1136 R CA 1.469 57.570 56.100 0.001 0.000 0.995 1136 R CB -0.369 29.905 30.300 -0.044 0.000 0.875 1136 R HN 0.339 nan 8.270 nan 0.000 0.462 1137 N N -0.104 118.580 118.700 -0.026 0.000 2.280 1137 N HA 0.086 4.820 4.740 -0.010 0.000 0.192 1137 N C -0.692 174.834 175.510 0.027 0.000 1.109 1137 N CA 0.062 53.111 53.050 -0.003 0.000 0.855 1137 N CB 0.468 38.963 38.487 0.014 0.000 0.974 1137 N HN 0.156 nan 8.380 nan 0.000 0.482 1138 C N 1.275 120.594 119.300 0.031 0.000 2.435 1138 C HA 0.580 5.034 4.460 -0.010 0.000 0.333 1138 C C 0.278 175.291 174.990 0.038 0.000 1.202 1138 C CA -0.832 58.209 59.018 0.039 0.000 1.830 1138 C CB 1.208 28.982 27.740 0.056 0.000 2.326 1138 C HN 0.178 nan 8.230 nan 0.000 0.507 1139 M N 1.961 121.577 119.600 0.026 0.000 2.724 1139 M HA 0.620 5.094 4.480 -0.010 0.000 0.310 1139 M C -0.824 175.469 176.300 -0.012 0.000 1.217 1139 M CA -0.578 54.731 55.300 0.014 0.000 0.894 1139 M CB 1.644 34.249 32.600 0.009 0.000 1.719 1139 M HN 0.326 nan 8.290 nan 0.000 0.479 1140 V N 0.926 120.818 119.914 -0.037 0.000 2.444 1140 V HA 0.681 4.795 4.120 -0.010 0.000 0.294 1140 V C 0.226 176.272 176.094 -0.081 0.000 1.022 1140 V CA -1.032 61.203 62.300 -0.109 0.000 0.850 1140 V CB 1.148 32.794 31.823 -0.295 0.000 0.992 1140 V HN 1.016 nan 8.190 nan 0.000 0.426 1141 A N 2.646 125.407 122.820 -0.098 0.000 2.249 1141 A HA 0.465 4.779 4.320 -0.010 0.000 0.281 1141 A C 1.290 178.791 177.584 -0.138 0.000 1.127 1141 A CA 0.560 52.551 52.037 -0.076 0.000 0.833 1141 A CB -0.056 18.891 19.000 -0.089 0.000 1.140 1141 A HN 1.235 nan 8.150 nan 0.000 0.502 1142 H N -0.908 118.058 119.070 -0.173 0.000 2.390 1142 H HA -0.158 4.389 4.556 -0.014 0.000 0.298 1142 H C 0.721 175.839 175.328 -0.350 0.000 1.106 1142 H CA 1.680 57.589 56.048 -0.232 0.000 1.297 1142 H CB -0.154 29.514 29.762 -0.157 0.000 1.375 1142 H HN 0.604 nan 8.280 nan 0.000 0.509 1143 D N -0.774 119.169 120.400 -0.762 0.000 2.342 1143 D HA -0.061 4.573 4.640 -0.010 0.000 0.221 1143 D C -0.083 176.142 176.300 -0.125 0.000 1.101 1143 D CA -0.555 53.184 54.000 -0.435 0.000 0.837 1143 D CB -0.642 39.902 40.800 -0.427 0.000 0.938 1143 D HN 0.571 nan 8.370 nan 0.000 0.508 1144 F N -1.140 118.717 119.950 -0.156 0.000 2.746 1144 F HA -0.226 4.293 4.527 -0.013 0.000 0.315 1144 F C 0.324 176.029 175.800 -0.159 0.000 0.666 1144 F CA 0.575 58.453 58.000 -0.202 0.000 1.381 1144 F CB -2.688 36.195 39.000 -0.196 0.000 1.739 1144 F HN -0.126 nan 8.300 nan 0.000 0.322 1145 T N 1.851 116.393 114.554 -0.019 0.000 2.916 1145 T HA 0.466 4.810 4.350 -0.010 0.000 0.303 1145 T C 0.481 175.179 174.700 -0.003 0.000 1.025 1145 T CA -0.238 61.877 62.100 0.024 0.000 1.142 1145 T CB 1.504 70.394 68.868 0.038 0.000 0.947 1145 T HN 0.052 nan 8.240 nan 0.000 0.544 1146 V N 4.734 124.666 119.914 0.030 0.000 2.427 1146 V HA 0.469 4.584 4.120 -0.010 0.000 0.286 1146 V C 0.220 176.341 176.094 0.046 0.000 1.034 1146 V CA -0.629 61.682 62.300 0.018 0.000 0.893 1146 V CB 1.308 33.147 31.823 0.028 0.000 0.982 1146 V HN 0.765 nan 8.190 nan 0.000 0.452 1147 K N 3.989 124.407 120.400 0.030 0.000 2.443 1147 K HA 0.624 4.938 4.320 -0.010 0.000 0.251 1147 K C -1.331 175.288 176.600 0.033 0.000 0.972 1147 K CA -1.012 55.298 56.287 0.038 0.000 0.833 1147 K CB 2.528 35.026 32.500 -0.004 0.000 1.317 1147 K HN 0.356 nan 8.250 nan 0.000 0.441 1148 I N 2.291 122.881 120.570 0.033 0.000 2.396 1148 I HA 0.025 4.189 4.170 -0.010 0.000 0.289 1148 I C 1.570 177.721 176.117 0.058 0.000 1.056 1148 I CA 0.420 61.743 61.300 0.038 0.000 1.365 1148 I CB 0.356 38.372 38.000 0.028 0.000 1.407 1148 I HN 0.973 nan 8.210 nan 0.000 0.509 1149 G N 6.035 114.874 108.800 0.064 0.000 2.440 1149 G HA2 -0.136 3.818 3.960 -0.010 0.000 0.218 1149 G HA3 -0.136 3.818 3.960 -0.010 0.000 0.218 1149 G C 0.207 175.131 174.900 0.040 0.000 1.154 1149 G CA 0.921 46.048 45.100 0.044 0.000 0.767 1149 G HN 0.766 nan 8.290 nan 0.000 0.552 1150 D N -2.372 118.061 120.400 0.054 0.000 2.838 1150 D HA 0.282 4.916 4.640 -0.010 0.000 0.334 1150 D C 0.464 176.759 176.300 -0.008 0.000 1.315 1150 D CA -0.852 53.136 54.000 -0.020 0.000 0.917 1150 D CB -0.309 40.354 40.800 -0.229 0.000 1.435 1150 D HN 0.083 nan 8.370 nan 0.000 0.517 1151 F N -1.164 118.717 119.950 -0.115 0.000 2.804 1151 F HA 0.499 5.019 4.527 -0.011 0.000 0.303 1151 F C 1.461 176.977 175.800 -0.473 0.000 1.154 1151 F CA -0.078 57.775 58.000 -0.245 0.000 1.401 1151 F CB -0.597 38.148 39.000 -0.424 0.000 1.106 1151 F HN 0.676 nan 8.300 nan 0.000 0.568 1152 G N 1.656 109.931 108.800 -0.875 0.000 2.246 1152 G HA2 -0.361 3.593 3.960 -0.010 0.000 0.273 1152 G HA3 -0.361 3.593 3.960 -0.010 0.000 0.273 1152 G C 0.185 174.773 174.900 -0.522 0.000 1.055 1152 G CA 0.200 44.761 45.100 -0.898 0.000 0.851 1152 G HN 0.621 nan 8.290 nan 0.000 0.500 1153 M N 1.519 120.743 119.600 -0.627 0.000 2.390 1153 M HA 0.323 4.797 4.480 -0.010 0.000 0.353 1153 M C -0.109 176.048 176.300 -0.238 0.000 1.623 1153 M CA 0.999 56.106 55.300 -0.322 0.000 1.065 1153 M CB 0.023 32.385 32.600 -0.396 0.000 2.025 1153 M HN 0.242 nan 8.290 nan 0.000 0.461 1154 T N 5.766 120.241 114.554 -0.132 0.000 2.916 1154 T HA 0.444 4.788 4.350 -0.010 0.000 0.298 1154 T C -0.501 174.184 174.700 -0.024 0.000 1.031 1154 T CA -0.914 61.089 62.100 -0.161 0.000 0.993 1154 T CB 1.493 70.240 68.868 -0.203 0.000 1.045 1154 T HN 0.660 nan 8.240 nan 0.000 0.454 1155 R N 1.787 122.309 120.500 0.035 0.000 2.585 1155 R HA 0.022 4.356 4.340 -0.010 0.000 0.275 1155 R C 0.464 176.849 176.300 0.143 0.000 1.018 1155 R CA -0.215 55.968 56.100 0.138 0.000 1.072 1155 R CB 0.330 30.769 30.300 0.231 0.000 0.953 1155 R HN 0.643 nan 8.270 nan 0.000 0.419 1156 D N 2.054 122.505 120.400 0.084 0.000 2.265 1156 D HA -0.176 4.459 4.640 -0.010 0.000 0.208 1156 D C 1.593 177.929 176.300 0.060 0.000 0.977 1156 D CA 1.097 55.137 54.000 0.066 0.000 0.871 1156 D CB 0.085 40.922 40.800 0.061 0.000 0.925 1156 D HN 0.444 nan 8.370 nan 0.000 0.485 1157 I N 0.183 120.756 120.570 0.004 0.000 2.361 1157 I HA -0.257 3.907 4.170 -0.010 0.000 0.251 1157 I C 1.340 177.378 176.117 -0.131 0.000 1.133 1157 I CA 1.097 62.349 61.300 -0.081 0.000 1.413 1157 I CB -0.379 37.504 38.000 -0.195 0.000 1.073 1157 I HN -0.040 nan 8.210 nan 0.000 0.424 1158 Y N 0.674 120.892 120.300 -0.136 0.000 2.680 1158 Y HA -0.042 4.503 4.550 -0.010 0.000 0.303 1158 Y C 2.087 178.022 175.900 0.058 0.000 1.166 1158 Y CA 0.620 58.612 58.100 -0.180 0.000 1.344 1158 Y CB -0.587 37.698 38.460 -0.291 0.000 1.002 1158 Y HN 0.314 nan 8.280 nan 0.000 0.537 1159 E N -0.316 120.002 120.200 0.196 0.000 2.447 1159 E HA -0.015 4.329 4.350 -0.010 0.000 0.195 1159 E C 0.934 177.730 176.600 0.326 0.000 1.028 1159 E CA 0.431 57.006 56.400 0.293 0.000 0.876 1159 E CB 0.116 29.972 29.700 0.260 0.000 0.885 1159 E HN 0.356 nan 8.360 nan 0.000 0.500 1160 T N 0.328 115.051 114.554 0.282 0.000 2.813 1160 T HA -0.033 4.311 4.350 -0.010 0.000 0.297 1160 T C 1.006 175.830 174.700 0.207 0.000 1.036 1160 T CA -0.329 61.908 62.100 0.228 0.000 1.044 1160 T CB 1.045 70.037 68.868 0.206 0.000 0.993 1160 T HN -0.067 nan 8.240 nan 0.000 0.535 1161 D N 0.206 120.685 120.400 0.131 0.000 2.182 1161 D HA -0.248 4.386 4.640 -0.010 0.000 0.201 1161 D C 1.597 177.937 176.300 0.067 0.000 0.986 1161 D CA 1.456 55.508 54.000 0.086 0.000 0.847 1161 D CB -0.821 40.011 40.800 0.055 0.000 0.942 1161 D HN 0.695 nan 8.370 nan 0.000 0.467 1162 Y N 0.426 120.673 120.300 -0.089 0.000 2.145 1162 Y HA -0.242 4.302 4.550 -0.010 0.000 0.286 1162 Y C 1.853 177.615 175.900 -0.230 0.000 1.145 1162 Y CA 1.589 59.551 58.100 -0.230 0.000 1.148 1162 Y CB -0.525 37.677 38.460 -0.430 0.000 0.981 1162 Y HN -0.097 nan 8.280 nan 0.000 0.507 1163 Y N -0.218 120.076 120.300 -0.011 0.000 2.337 1163 Y HA -0.012 4.532 4.550 -0.010 0.000 0.293 1163 Y C 2.521 178.419 175.900 -0.004 0.000 1.123 1163 Y CA 1.064 59.134 58.100 -0.051 0.000 1.201 1163 Y CB -0.451 38.065 38.460 0.093 0.000 1.011 1163 Y HN -0.022 nan 8.280 nan 0.000 0.545 1164 R N 0.916 121.524 120.500 0.179 0.000 2.092 1164 R HA -0.076 4.258 4.340 -0.010 0.000 0.226 1164 R C 1.702 178.032 176.300 0.051 0.000 1.140 1164 R CA 1.529 57.715 56.100 0.143 0.000 0.910 1164 R CB -0.776 29.608 30.300 0.141 0.000 0.822 1164 R HN 0.185 nan 8.270 nan 0.000 0.433 1170 L N 0.039 121.222 121.223 -0.066 0.000 2.265 1170 L HA 0.299 4.633 4.340 -0.010 0.000 0.215 1170 L C 0.976 177.758 176.870 -0.147 0.000 1.117 1170 L CA 1.244 55.939 54.840 -0.241 0.000 0.782 1170 L CB -0.392 41.311 42.059 -0.592 0.000 0.914 1170 L HN 0.431 nan 8.230 nan 0.000 0.441 1171 L N 1.240 122.435 121.223 -0.046 0.000 2.276 1171 L HA 0.357 4.691 4.340 -0.010 0.000 0.286 1171 L C -2.091 174.835 176.870 0.092 0.000 1.061 1171 L CA -1.926 52.917 54.840 0.006 0.000 0.807 1171 L CB 0.449 42.518 42.059 0.017 0.000 1.177 1171 L HN -0.039 nan 8.230 nan 0.000 0.429 1172 P HA 0.067 nan 4.420 nan 0.000 0.287 1172 P C 0.787 178.292 177.300 0.342 0.000 1.307 1172 P CA -0.523 62.695 63.100 0.197 0.000 0.777 1172 P CB 1.324 33.068 31.700 0.074 0.000 0.883 1173 V N 2.312 122.390 119.914 0.274 0.000 2.759 1173 V HA -0.135 3.979 4.120 -0.010 0.000 0.256 1173 V C 1.639 177.874 176.094 0.234 0.000 1.080 1173 V CA 1.183 63.609 62.300 0.210 0.000 1.101 1173 V CB -1.087 30.802 31.823 0.110 0.000 0.698 1173 V HN 0.313 nan 8.190 nan 0.000 0.477 1174 R N -1.176 119.546 120.500 0.370 0.000 2.323 1174 R HA 0.123 4.457 4.340 -0.010 0.000 0.198 1174 R C 1.518 177.952 176.300 0.224 0.000 0.988 1174 R CA 1.021 57.286 56.100 0.274 0.000 1.041 1174 R CB -0.097 30.302 30.300 0.165 0.000 0.926 1174 R HN 0.654 nan 8.270 nan 0.000 0.476 1175 W N -0.481 120.975 121.300 0.260 0.000 2.870 1175 W HA 0.308 4.962 4.660 -0.011 0.000 0.358 1175 W C -0.095 176.645 176.519 0.368 0.000 1.043 1175 W CA -0.523 57.025 57.345 0.337 0.000 1.692 1175 W CB 0.437 30.063 29.460 0.277 0.000 1.100 1175 W HN -0.031 nan 8.180 nan 0.000 0.557 1176 M N 0.786 120.605 119.600 0.364 0.000 2.233 1176 M HA 0.400 4.874 4.480 -0.010 0.000 0.355 1176 M C 0.632 176.664 176.300 -0.445 0.000 1.191 1176 M CA -0.227 55.134 55.300 0.100 0.000 1.101 1176 M CB 1.438 34.099 32.600 0.102 0.000 1.592 1176 M HN -0.238 nan 8.290 nan 0.000 0.461 1177 A N 5.393 127.832 122.820 -0.635 0.000 2.483 1177 A HA 0.252 4.566 4.320 -0.010 0.000 0.238 1177 A C -1.550 175.507 177.584 -0.878 0.000 1.070 1177 A CA -1.104 50.226 52.037 -1.178 0.000 0.770 1177 A CB -0.472 18.206 19.000 -0.536 0.000 1.008 1177 A HN 0.665 nan 8.150 nan 0.000 0.497 1178 P HA -0.222 nan 4.420 nan 0.000 0.218 1178 P C 1.049 178.053 177.300 -0.492 0.000 1.148 1178 P CA 1.696 64.414 63.100 -0.636 0.000 0.822 1178 P CB 0.060 31.351 31.700 -0.683 0.000 0.784 1179 E N 0.169 120.060 120.200 -0.516 0.000 2.208 1179 E HA -0.062 4.282 4.350 -0.010 0.000 0.193 1179 E C 1.698 178.078 176.600 -0.367 0.000 0.988 1179 E CA 1.016 57.190 56.400 -0.377 0.000 0.828 1179 E CB -0.971 28.535 29.700 -0.323 0.000 0.763 1179 E HN 0.158 nan 8.360 nan 0.000 0.478 1180 S N 1.257 116.677 115.700 -0.466 0.000 2.371 1180 S HA 0.044 4.508 4.470 -0.010 0.000 0.224 1180 S C 2.151 176.490 174.600 -0.435 0.000 1.029 1180 S CA 0.753 58.560 58.200 -0.655 0.000 0.978 1180 S CB -0.215 62.478 63.200 -0.845 0.000 0.833 1180 S HN 0.190 nan 8.310 nan 0.000 0.466 1181 L N 1.204 122.235 121.223 -0.321 0.000 2.093 1181 L HA -0.060 4.274 4.340 -0.010 0.000 0.208 1181 L C 2.588 179.366 176.870 -0.154 0.000 1.085 1181 L CA 1.179 55.902 54.840 -0.194 0.000 0.755 1181 L CB -0.363 41.579 42.059 -0.196 0.000 0.904 1181 L HN 0.240 nan 8.230 nan 0.000 0.435 1182 K N -0.280 120.011 120.400 -0.181 0.000 2.007 1182 K HA -0.133 4.181 4.320 -0.010 0.000 0.206 1182 K C 0.786 177.324 176.600 -0.102 0.000 1.047 1182 K CA 1.561 57.774 56.287 -0.124 0.000 0.937 1182 K CB 0.228 32.654 32.500 -0.123 0.000 0.718 1182 K HN 0.247 nan 8.250 nan 0.000 0.438 1183 D N -1.869 118.451 120.400 -0.134 0.000 2.527 1183 D HA 0.122 4.756 4.640 -0.010 0.000 0.224 1183 D C 0.202 176.444 176.300 -0.097 0.000 1.217 1183 D CA 0.536 54.480 54.000 -0.094 0.000 0.819 1183 D CB 1.329 42.080 40.800 -0.081 0.000 1.061 1183 D HN 0.478 nan 8.370 nan 0.000 0.515 1184 G N 1.477 110.174 108.800 -0.172 0.000 2.160 1184 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.251 1184 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.251 1184 G C 0.422 175.179 174.900 -0.237 0.000 1.008 1184 G CA 0.135 45.135 45.100 -0.168 0.000 0.724 1184 G HN 0.261 nan 8.290 nan 0.000 0.514 1185 V N 0.609 120.326 119.914 -0.328 0.000 2.427 1185 V HA 0.532 4.646 4.120 -0.010 0.000 0.268 1185 V C 0.141 176.011 176.094 -0.373 0.000 1.046 1185 V CA 0.071 62.242 62.300 -0.214 0.000 0.970 1185 V CB 0.340 32.070 31.823 -0.155 0.000 1.001 1185 V HN 0.233 nan 8.190 nan 0.000 0.476 1186 F N 3.854 123.827 119.950 0.040 0.000 2.427 1186 F HA 0.637 5.158 4.527 -0.010 0.000 0.348 1186 F C 0.598 176.445 175.800 0.079 0.000 1.125 1186 F CA -0.375 57.666 58.000 0.068 0.000 0.989 1186 F CB 2.028 41.080 39.000 0.087 0.000 1.165 1186 F HN 0.595 nan 8.300 nan 0.000 0.442 1187 T N -2.177 112.522 114.554 0.242 0.000 2.804 1187 T HA 0.215 4.559 4.350 -0.010 0.000 0.290 1187 T C 0.763 175.602 174.700 0.231 0.000 1.099 1187 T CA -0.407 61.807 62.100 0.191 0.000 1.011 1187 T CB 1.486 70.424 68.868 0.115 0.000 1.291 1187 T HN 0.339 nan 8.240 nan 0.000 0.523 1188 T N 0.190 114.870 114.554 0.210 0.000 2.881 1188 T HA -0.063 4.281 4.350 -0.010 0.000 0.270 1188 T C 1.861 176.705 174.700 0.239 0.000 1.068 1188 T CA 2.032 64.295 62.100 0.272 0.000 1.131 1188 T CB -1.004 68.014 68.868 0.251 0.000 0.871 1188 T HN 0.599 nan 8.240 nan 0.000 0.479 1189 S N 1.130 116.923 115.700 0.155 0.000 2.383 1189 S HA -0.082 4.382 4.470 -0.010 0.000 0.227 1189 S C 2.390 177.102 174.600 0.186 0.000 1.026 1189 S CA 1.327 59.596 58.200 0.115 0.000 0.981 1189 S CB -0.332 62.913 63.200 0.076 0.000 0.818 1189 S HN 0.809 nan 8.310 nan 0.000 0.472 1190 S N 1.830 117.652 115.700 0.203 0.000 2.428 1190 S HA -0.073 4.391 4.470 -0.010 0.000 0.230 1190 S C 1.231 176.072 174.600 0.401 0.000 1.014 1190 S CA 0.835 59.183 58.200 0.247 0.000 0.957 1190 S CB -0.389 62.887 63.200 0.127 0.000 0.784 1190 S HN 0.261 nan 8.310 nan 0.000 0.499 1191 D N 1.469 122.120 120.400 0.418 0.000 2.117 1191 D HA -0.040 4.595 4.640 -0.010 0.000 0.197 1191 D C 1.748 178.409 176.300 0.602 0.000 0.987 1191 D CA 1.113 55.424 54.000 0.518 0.000 0.829 1191 D CB -0.410 40.719 40.800 0.548 0.000 0.961 1191 D HN 0.357 nan 8.370 nan 0.000 0.460 1192 M N 0.004 119.829 119.600 0.375 0.000 2.108 1192 M HA -0.149 4.325 4.480 -0.010 0.000 0.261 1192 M C 1.879 178.396 176.300 0.361 0.000 1.066 1192 M CA 1.333 56.709 55.300 0.126 0.000 1.107 1192 M CB -0.629 31.864 32.600 -0.177 0.000 1.356 1192 M HN 0.242 nan 8.290 nan 0.000 0.406 1193 W N 0.420 121.874 121.300 0.256 0.000 2.317 1193 W HA -0.232 4.422 4.660 -0.010 0.000 0.318 1193 W C 2.023 178.824 176.519 0.469 0.000 1.227 1193 W CA 2.254 59.822 57.345 0.371 0.000 1.269 1193 W CB -1.087 28.548 29.460 0.292 0.000 1.155 1193 W HN 0.290 nan 8.180 nan 0.000 0.484 1194 S N 0.714 116.878 115.700 0.774 0.000 2.382 1194 S HA -0.242 4.222 4.470 -0.010 0.000 0.228 1194 S C 1.543 176.493 174.600 0.583 0.000 1.027 1194 S CA 1.556 60.179 58.200 0.706 0.000 0.991 1194 S CB -1.139 62.434 63.200 0.621 0.000 0.823 1194 S HN 0.322 nan 8.310 nan 0.000 0.469 1195 F N 2.792 122.976 119.950 0.389 0.000 2.120 1195 F HA -0.110 4.410 4.527 -0.011 0.000 0.300 1195 F C 2.285 178.188 175.800 0.171 0.000 1.095 1195 F CA 1.332 59.511 58.000 0.299 0.000 1.249 1195 F CB -1.051 38.174 39.000 0.374 0.000 0.995 1195 F HN 0.221 nan 8.300 nan 0.000 0.480 1196 G N -0.313 108.504 108.800 0.029 0.000 2.422 1196 G HA2 -0.195 3.759 3.960 -0.010 0.000 0.218 1196 G HA3 -0.195 3.759 3.960 -0.010 0.000 0.218 1196 G C 1.681 176.591 174.900 0.017 0.000 1.146 1196 G CA 1.206 46.094 45.100 -0.354 0.000 0.769 1196 G HN 0.369 nan 8.290 nan 0.000 0.547 1197 V N 0.623 120.748 119.914 0.352 0.000 2.453 1197 V HA -0.140 3.974 4.120 -0.010 0.000 0.247 1197 V C 2.982 179.266 176.094 0.316 0.000 1.048 1197 V CA 1.256 63.755 62.300 0.331 0.000 1.049 1197 V CB -0.401 31.449 31.823 0.045 0.000 0.672 1197 V HN 0.240 nan 8.190 nan 0.000 0.457 1198 V N 0.340 120.421 119.914 0.279 0.000 2.287 1198 V HA -0.291 3.823 4.120 -0.010 0.000 0.248 1198 V C 2.375 178.502 176.094 0.055 0.000 1.053 1198 V CA 2.140 64.568 62.300 0.214 0.000 1.027 1198 V CB -0.699 31.214 31.823 0.149 0.000 0.646 1198 V HN 0.457 nan 8.190 nan 0.000 0.447 1199 L N -1.609 119.527 121.223 -0.145 0.000 2.083 1199 L HA -0.215 4.119 4.340 -0.010 0.000 0.209 1199 L C 2.332 179.179 176.870 -0.038 0.000 1.083 1199 L CA 2.146 56.869 54.840 -0.195 0.000 0.752 1199 L CB -0.609 41.221 42.059 -0.382 0.000 0.899 1199 L HN 0.526 nan 8.230 nan 0.000 0.433 1200 W N 1.484 122.731 121.300 -0.088 0.000 2.363 1200 W HA -0.171 4.483 4.660 -0.010 0.000 0.296 1200 W C 2.374 178.883 176.519 -0.017 0.000 1.212 1200 W CA 1.477 58.818 57.345 -0.006 0.000 1.260 1200 W CB 0.082 29.623 29.460 0.134 0.000 1.131 1200 W HN 0.088 nan 8.180 nan 0.000 0.530 1201 E N 0.135 120.471 120.200 0.227 0.000 2.072 1201 E HA -0.221 4.123 4.350 -0.010 0.000 0.191 1201 E C 2.118 178.677 176.600 -0.068 0.000 0.985 1201 E CA 1.655 58.111 56.400 0.094 0.000 0.801 1201 E CB -0.422 29.461 29.700 0.306 0.000 0.750 1201 E HN 0.355 nan 8.360 nan 0.000 0.452 1202 I N 1.165 121.712 120.570 -0.037 0.000 2.208 1202 I HA -0.264 3.900 4.170 -0.010 0.000 0.245 1202 I C 2.637 178.669 176.117 -0.140 0.000 1.097 1202 I CA 1.673 62.937 61.300 -0.060 0.000 1.363 1202 I CB -0.425 37.547 38.000 -0.047 0.000 1.051 1202 I HN 0.228 nan 8.210 nan 0.000 0.413 1203 T N -3.179 111.246 114.554 -0.216 0.000 3.081 1203 T HA 0.026 4.370 4.350 -0.010 0.000 0.255 1203 T C 1.481 175.970 174.700 -0.352 0.000 1.113 1203 T CA 0.665 62.615 62.100 -0.250 0.000 1.082 1203 T CB -0.178 68.554 68.868 -0.227 0.000 0.939 1203 T HN 0.387 nan 8.240 nan 0.000 0.506 1204 S N 0.916 116.309 115.700 -0.512 0.000 2.554 1204 S HA 0.360 4.824 4.470 -0.010 0.000 0.226 1204 S C 0.789 175.187 174.600 -0.337 0.000 0.980 1204 S CA -0.585 57.282 58.200 -0.555 0.000 0.939 1204 S CB -0.768 61.773 63.200 -1.098 0.000 0.832 1204 S HN 0.476 nan 8.310 nan 0.000 0.486 1205 L N 0.748 121.827 121.223 -0.240 0.000 3.660 1205 L HA -0.291 4.043 4.340 -0.010 0.000 0.440 1205 L C 0.804 177.616 176.870 -0.096 0.000 1.262 1205 L CA 0.139 54.894 54.840 -0.143 0.000 0.837 1205 L CB -2.372 39.609 42.059 -0.131 0.000 1.689 1205 L HN 0.831 nan 8.230 nan 0.000 0.890 1206 A N -1.026 121.747 122.820 -0.079 0.000 2.876 1206 A HA -0.188 4.126 4.320 -0.010 0.000 0.287 1206 A C 0.724 178.347 177.584 0.065 0.000 1.455 1206 A CA 1.486 53.550 52.037 0.046 0.000 0.744 1206 A CB -1.342 17.710 19.000 0.088 0.000 1.041 1206 A HN 0.694 nan 8.150 nan 0.000 0.500 1207 E N -0.642 119.551 120.200 -0.012 0.000 2.391 1207 E HA 0.304 4.648 4.350 -0.010 0.000 0.255 1207 E C 0.441 177.230 176.600 0.314 0.000 1.187 1207 E CA -0.251 56.207 56.400 0.097 0.000 0.941 1207 E CB 0.284 29.995 29.700 0.018 0.000 1.010 1207 E HN 0.572 nan 8.360 nan 0.000 0.458 1208 Q N 1.664 121.625 119.800 0.269 0.000 2.314 1208 Q HA 0.174 4.508 4.340 -0.010 0.000 0.257 1208 Q C -2.473 173.580 176.000 0.087 0.000 0.975 1208 Q CA -1.825 54.110 55.803 0.220 0.000 0.933 1208 Q CB 0.929 29.766 28.738 0.164 0.000 1.195 1208 Q HN 0.013 nan 8.270 nan 0.000 0.426 1209 P HA -0.086 nan 4.420 nan 0.000 0.262 1209 P C -1.240 175.761 177.300 -0.498 0.000 1.182 1209 P CA 0.504 63.044 63.100 -0.934 0.000 0.761 1209 P CB 0.087 31.083 31.700 -1.173 0.000 0.795 1210 Y N -0.440 119.615 120.300 -0.408 0.000 3.389 1210 Y HA -0.238 4.306 4.550 -0.010 0.000 0.213 1210 Y C 0.807 176.620 175.900 -0.146 0.000 1.272 1210 Y CA 0.126 58.068 58.100 -0.263 0.000 1.444 1210 Y CB -2.771 35.540 38.460 -0.249 0.000 1.445 1210 Y HN 0.363 nan 8.280 nan 0.000 0.583 1211 Q N 1.495 121.295 119.800 0.001 0.000 2.274 1211 Q HA 0.424 4.758 4.340 -0.010 0.000 0.280 1211 Q C 1.283 177.290 176.000 0.012 0.000 1.047 1211 Q CA 1.473 57.296 55.803 0.034 0.000 0.907 1211 Q CB 0.847 29.623 28.738 0.063 0.000 1.171 1211 Q HN 0.847 nan 8.270 nan 0.000 0.381 1212 G N 3.017 111.822 108.800 0.010 0.000 2.213 1212 G HA2 -0.195 3.759 3.960 -0.010 0.000 0.226 1212 G HA3 -0.195 3.759 3.960 -0.010 0.000 0.226 1212 G C -0.302 174.581 174.900 -0.028 0.000 0.992 1212 G CA 0.026 45.120 45.100 -0.011 0.000 0.632 1212 G HN 0.530 nan 8.290 nan 0.000 0.511 1213 L N 1.964 123.171 121.223 -0.028 0.000 2.331 1213 L HA 0.669 5.003 4.340 -0.010 0.000 0.275 1213 L C 1.190 178.047 176.870 -0.022 0.000 1.022 1213 L CA -0.352 54.459 54.840 -0.049 0.000 0.812 1213 L CB 1.809 43.810 42.059 -0.098 0.000 1.257 1213 L HN 0.392 nan 8.230 nan 0.000 0.435 1214 S N 0.549 116.232 115.700 -0.028 0.000 2.645 1214 S HA 0.173 4.637 4.470 -0.010 0.000 0.266 1214 S C 0.756 175.345 174.600 -0.019 0.000 1.258 1214 S CA -0.597 57.596 58.200 -0.012 0.000 0.990 1214 S CB 1.015 64.208 63.200 -0.012 0.000 0.967 1214 S HN 0.605 nan 8.310 nan 0.000 0.556 1215 N N 1.471 120.169 118.700 -0.003 0.000 2.137 1215 N HA -0.077 4.657 4.740 -0.010 0.000 0.190 1215 N C 2.187 177.681 175.510 -0.028 0.000 1.017 1215 N CA 1.920 54.967 53.050 -0.005 0.000 0.859 1215 N CB -1.001 37.494 38.487 0.012 0.000 1.002 1215 N HN 0.905 nan 8.380 nan 0.000 0.428 1216 E N 0.822 121.007 120.200 -0.026 0.000 2.106 1216 E HA -0.143 4.201 4.350 -0.010 0.000 0.192 1216 E C 1.859 178.437 176.600 -0.036 0.000 0.984 1216 E CA 1.332 57.715 56.400 -0.029 0.000 0.806 1216 E CB -0.868 28.819 29.700 -0.022 0.000 0.750 1216 E HN 0.577 nan 8.360 nan 0.000 0.458 1217 Q N -0.293 119.481 119.800 -0.043 0.000 2.167 1217 Q HA -0.038 4.296 4.340 -0.010 0.000 0.202 1217 Q C 2.470 178.428 176.000 -0.070 0.000 0.970 1217 Q CA 1.344 57.116 55.803 -0.051 0.000 0.855 1217 Q CB -0.010 28.687 28.738 -0.068 0.000 0.911 1217 Q HN 0.480 nan 8.270 nan 0.000 0.438 1218 V N 0.730 120.569 119.914 -0.125 0.000 2.323 1218 V HA -0.238 3.876 4.120 -0.010 0.000 0.244 1218 V C 2.126 178.114 176.094 -0.177 0.000 1.041 1218 V CA 1.290 63.438 62.300 -0.252 0.000 1.025 1218 V CB -0.528 31.102 31.823 -0.323 0.000 0.656 1218 V HN 0.304 nan 8.190 nan 0.000 0.451 1219 L N 0.693 121.847 121.223 -0.114 0.000 1.978 1219 L HA -0.276 4.058 4.340 -0.010 0.000 0.218 1219 L C 2.540 179.367 176.870 -0.073 0.000 1.075 1219 L CA 2.745 57.531 54.840 -0.091 0.000 0.767 1219 L CB -0.680 41.344 42.059 -0.059 0.000 0.890 1219 L HN 0.351 nan 8.230 nan 0.000 0.434 1220 K N -1.400 118.978 120.400 -0.037 0.000 1.985 1220 K HA -0.277 4.037 4.320 -0.010 0.000 0.210 1220 K C 2.242 178.843 176.600 0.001 0.000 1.047 1220 K CA 2.033 58.311 56.287 -0.014 0.000 0.932 1220 K CB -0.637 31.865 32.500 0.003 0.000 0.716 1220 K HN 0.277 nan 8.250 nan 0.000 0.439 1221 F N 1.586 121.456 119.950 -0.133 0.000 2.087 1221 F HA -0.257 4.264 4.527 -0.010 0.000 0.299 1221 F C 1.833 177.563 175.800 -0.117 0.000 1.100 1221 F CA 1.754 59.671 58.000 -0.138 0.000 1.226 1221 F CB -0.467 38.417 39.000 -0.193 0.000 0.983 1221 F HN -0.116 nan 8.300 nan 0.000 0.479 1222 V N 0.296 120.084 119.914 -0.211 0.000 2.548 1222 V HA -0.293 3.821 4.120 -0.010 0.000 0.249 1222 V C 2.407 178.423 176.094 -0.130 0.000 1.055 1222 V CA 1.959 64.121 62.300 -0.230 0.000 1.065 1222 V CB -0.537 31.162 31.823 -0.207 0.000 0.681 1222 V HN 0.392 nan 8.190 nan 0.000 0.462 1223 M N -0.428 119.114 119.600 -0.096 0.000 2.319 1223 M HA -0.109 4.365 4.480 -0.010 0.000 0.265 1223 M C 1.461 177.817 176.300 0.092 0.000 1.068 1223 M CA 1.256 56.557 55.300 0.002 0.000 1.118 1223 M CB -0.361 32.219 32.600 -0.033 0.000 1.395 1223 M HN 0.291 nan 8.290 nan 0.000 0.435 1224 D N -0.307 120.066 120.400 -0.044 0.000 2.363 1224 D HA 0.073 4.707 4.640 -0.010 0.000 0.220 1224 D C 1.389 177.569 176.300 -0.200 0.000 0.994 1224 D CA 0.998 54.932 54.000 -0.110 0.000 0.890 1224 D CB 0.335 41.061 40.800 -0.123 0.000 0.906 1224 D HN 0.540 nan 8.370 nan 0.000 0.530 1225 G N -0.287 108.439 108.800 -0.123 0.000 2.192 1225 G HA2 -0.121 3.833 3.960 -0.010 0.000 0.193 1225 G HA3 -0.121 3.833 3.960 -0.010 0.000 0.193 1225 G C 0.699 175.502 174.900 -0.162 0.000 0.999 1225 G CA -0.165 44.869 45.100 -0.110 0.000 0.659 1225 G HN 0.557 nan 8.290 nan 0.000 0.503 1226 G N -0.314 108.173 108.800 -0.523 0.000 2.537 1226 G HA2 0.807 4.761 3.960 -0.010 0.000 0.273 1226 G HA3 0.807 4.761 3.960 -0.010 0.000 0.273 1226 G C -0.356 174.236 174.900 -0.514 0.000 1.189 1226 G CA 0.097 44.541 45.100 -1.092 0.000 0.881 1226 G HN 1.491 nan 8.290 nan 0.000 0.535 1227 Y N -2.224 117.952 120.300 -0.206 0.000 2.750 1227 Y HA 0.574 5.119 4.550 -0.009 0.000 0.335 1227 Y C -0.708 175.194 175.900 0.003 0.000 1.252 1227 Y CA -1.735 56.311 58.100 -0.090 0.000 1.064 1227 Y CB 0.476 38.742 38.460 -0.324 0.000 1.321 1227 Y HN 0.491 nan 8.280 nan 0.000 0.451 1228 L N 2.745 123.811 121.223 -0.261 0.000 2.485 1228 L HA 0.165 4.500 4.340 -0.010 0.000 0.275 1228 L C -0.144 176.793 176.870 0.112 0.000 1.207 1228 L CA 0.253 54.860 54.840 -0.389 0.000 0.855 1228 L CB 0.001 41.356 42.059 -1.173 0.000 1.114 1228 L HN 0.552 nan 8.230 nan 0.000 0.485 1229 D N 1.475 121.955 120.400 0.134 0.000 2.357 1229 D HA 0.081 4.715 4.640 -0.010 0.000 0.242 1229 D C 0.044 176.575 176.300 0.387 0.000 1.153 1229 D CA -0.239 53.908 54.000 0.244 0.000 0.918 1229 D CB 0.525 41.422 40.800 0.161 0.000 1.181 1229 D HN 0.285 nan 8.370 nan 0.000 0.435 1230 Q N 1.306 121.285 119.800 0.298 0.000 2.304 1230 Q HA 0.278 4.612 4.340 -0.010 0.000 0.260 1230 Q C -2.018 174.066 176.000 0.140 0.000 0.965 1230 Q CA -1.472 54.477 55.803 0.242 0.000 0.898 1230 Q CB 0.180 29.006 28.738 0.146 0.000 1.196 1230 Q HN 0.174 nan 8.270 nan 0.000 0.402 1231 P HA -0.002 nan 4.420 nan 0.000 0.270 1231 P C -0.882 176.383 177.300 -0.060 0.000 1.223 1231 P CA -0.215 62.824 63.100 -0.100 0.000 0.785 1231 P CB 0.458 31.968 31.700 -0.317 0.000 0.923 1232 D N 0.973 121.338 120.400 -0.058 0.000 2.533 1232 D HA -0.017 4.617 4.640 -0.010 0.000 0.236 1232 D C 0.133 176.402 176.300 -0.053 0.000 1.137 1232 D CA 0.688 54.663 54.000 -0.041 0.000 0.867 1232 D CB -0.800 39.976 40.800 -0.040 0.000 1.170 1232 D HN 0.342 nan 8.370 nan 0.000 0.474 1233 N N 0.470 119.148 118.700 -0.037 0.000 2.714 1233 N HA -0.238 4.496 4.740 -0.010 0.000 0.252 1233 N C -0.635 174.842 175.510 -0.055 0.000 1.014 1233 N CA -0.044 52.982 53.050 -0.041 0.000 0.735 1233 N CB -1.131 37.331 38.487 -0.041 0.000 0.924 1233 N HN 0.410 nan 8.380 nan 0.000 0.540 1234 C N 0.871 120.137 119.300 -0.056 0.000 2.593 1234 C HA 0.362 4.816 4.460 -0.010 0.000 0.409 1234 C C -1.616 173.340 174.990 -0.057 0.000 1.304 1234 C CA -1.734 57.241 59.018 -0.071 0.000 2.007 1234 C CB -0.226 27.471 27.740 -0.071 0.000 2.614 1234 C HN 0.296 nan 8.230 nan 0.000 0.585 1235 P HA 0.080 nan 4.420 nan 0.000 0.264 1235 P C 0.617 177.884 177.300 -0.055 0.000 1.193 1235 P CA 0.513 63.578 63.100 -0.058 0.000 0.763 1235 P CB 0.338 31.999 31.700 -0.065 0.000 0.810 1236 E N 3.301 123.475 120.200 -0.044 0.000 2.171 1236 E HA -0.279 4.066 4.350 -0.010 0.000 0.197 1236 E C 1.804 178.371 176.600 -0.055 0.000 0.997 1236 E CA 1.003 57.378 56.400 -0.041 0.000 0.810 1236 E CB 0.050 29.732 29.700 -0.030 0.000 0.738 1236 E HN 0.295 nan 8.360 nan 0.000 0.467 1237 R N -0.120 120.345 120.500 -0.059 0.000 2.092 1237 R HA -0.114 4.221 4.340 -0.010 0.000 0.231 1237 R C 2.220 178.467 176.300 -0.089 0.000 1.119 1237 R CA 1.352 57.412 56.100 -0.067 0.000 0.970 1237 R CB 0.068 30.332 30.300 -0.060 0.000 0.864 1237 R HN 0.118 nan 8.270 nan 0.000 0.440 1238 V N -0.183 119.673 119.914 -0.098 0.000 2.453 1238 V HA -0.167 3.947 4.120 -0.010 0.000 0.247 1238 V C 2.143 178.137 176.094 -0.165 0.000 1.048 1238 V CA 2.045 64.266 62.300 -0.132 0.000 1.049 1238 V CB -0.580 31.166 31.823 -0.128 0.000 0.672 1238 V HN 0.368 nan 8.190 nan 0.000 0.457 1239 T N 0.249 114.728 114.554 -0.125 0.000 2.684 1239 T HA -0.220 4.124 4.350 -0.010 0.000 0.267 1239 T C 1.654 176.255 174.700 -0.165 0.000 1.036 1239 T CA 1.965 63.992 62.100 -0.122 0.000 1.148 1239 T CB -0.439 68.399 68.868 -0.051 0.000 0.863 1239 T HN 0.480 nan 8.240 nan 0.000 0.436 1240 D N 0.980 121.304 120.400 -0.128 0.000 2.144 1240 D HA -0.018 4.616 4.640 -0.010 0.000 0.199 1240 D C 2.104 178.298 176.300 -0.178 0.000 0.984 1240 D CA 0.655 54.579 54.000 -0.127 0.000 0.834 1240 D CB -0.414 40.336 40.800 -0.084 0.000 0.955 1240 D HN 0.328 nan 8.370 nan 0.000 0.465 1241 L N -0.154 120.953 121.223 -0.193 0.000 2.027 1241 L HA -0.113 4.221 4.340 -0.010 0.000 0.206 1241 L C 2.561 179.198 176.870 -0.389 0.000 1.074 1241 L CA 0.847 55.557 54.840 -0.216 0.000 0.745 1241 L CB -0.325 41.639 42.059 -0.160 0.000 0.898 1241 L HN 0.026 nan 8.230 nan 0.000 0.433 1242 M N -0.885 118.377 119.600 -0.562 0.000 2.117 1242 M HA -0.205 4.269 4.480 -0.010 0.000 0.262 1242 M C 2.412 178.017 176.300 -1.159 0.000 1.065 1242 M CA 1.710 56.337 55.300 -1.121 0.000 1.114 1242 M CB -0.397 31.465 32.600 -1.230 0.000 1.361 1242 M HN 0.141 nan 8.290 nan 0.000 0.408 1243 R N -0.230 119.899 120.500 -0.618 0.000 2.115 1243 R HA -0.012 4.322 4.340 -0.010 0.000 0.230 1243 R C 2.097 178.201 176.300 -0.326 0.000 1.111 1243 R CA 1.160 57.003 56.100 -0.428 0.000 0.976 1243 R CB -0.225 29.938 30.300 -0.229 0.000 0.870 1243 R HN 0.392 nan 8.270 nan 0.000 0.445 1244 M N -0.529 118.897 119.600 -0.289 0.000 2.159 1244 M HA -0.199 4.275 4.480 -0.010 0.000 0.263 1244 M C 2.170 178.356 176.300 -0.190 0.000 1.063 1244 M CA 1.335 56.524 55.300 -0.186 0.000 1.110 1244 M CB -0.056 32.454 32.600 -0.150 0.000 1.374 1244 M HN 0.234 nan 8.290 nan 0.000 0.411 1245 C N -1.352 117.739 119.300 -0.348 0.000 2.468 1245 C HA -0.083 4.371 4.460 -0.010 0.000 0.277 1245 C C 1.387 176.268 174.990 -0.181 0.000 1.400 1245 C CA 0.102 58.942 59.018 -0.297 0.000 1.770 1245 C CB -0.882 26.554 27.740 -0.506 0.000 1.905 1245 C HN 0.650 nan 8.230 nan 0.000 0.519 1246 W N 0.772 121.806 121.300 -0.444 0.000 3.067 1246 W HA 0.327 4.982 4.660 -0.009 0.000 0.417 1246 W C 0.304 176.732 176.519 -0.153 0.000 1.029 1246 W CA -0.726 56.187 57.345 -0.719 0.000 1.992 1246 W CB -1.025 27.775 29.460 -1.100 0.000 1.122 1246 W HN 0.308 nan 8.180 nan 0.000 0.681 1247 Q N 0.477 120.383 119.800 0.175 0.000 2.300 1247 Q HA -0.055 4.279 4.340 -0.010 0.000 0.280 1247 Q C 1.126 177.365 176.000 0.398 0.000 1.033 1247 Q CA 0.082 56.028 55.803 0.239 0.000 0.903 1247 Q CB 0.563 29.384 28.738 0.138 0.000 1.195 1247 Q HN 0.211 nan 8.270 nan 0.000 0.386 1248 F N 2.762 122.862 119.950 0.250 0.000 2.134 1248 F HA -0.175 4.346 4.527 -0.010 0.000 0.299 1248 F C 1.090 176.967 175.800 0.127 0.000 1.097 1248 F CA 1.026 59.151 58.000 0.207 0.000 1.264 1248 F CB 0.259 39.340 39.000 0.136 0.000 1.001 1248 F HN 0.502 nan 8.300 nan 0.000 0.479 1249 N N 1.750 120.605 118.700 0.258 0.000 2.405 1249 N HA 0.062 4.796 4.740 -0.010 0.000 0.260 1249 N C -1.824 173.731 175.510 0.075 0.000 1.152 1249 N CA -2.104 51.023 53.050 0.129 0.000 0.948 1249 N CB 0.858 39.436 38.487 0.150 0.000 1.111 1249 N HN 0.007 nan 8.380 nan 0.000 0.485 1250 P HA -0.160 nan 4.420 nan 0.000 0.217 1250 P C 0.627 177.952 177.300 0.042 0.000 1.151 1250 P CA 1.181 64.301 63.100 0.033 0.000 0.849 1250 P CB 0.375 32.072 31.700 -0.005 0.000 0.787 1251 N N -0.907 117.815 118.700 0.037 0.000 2.272 1251 N HA -0.105 4.629 4.740 -0.010 0.000 0.185 1251 N C 1.515 177.046 175.510 0.035 0.000 1.014 1251 N CA 1.121 54.191 53.050 0.034 0.000 0.870 1251 N CB -0.592 37.915 38.487 0.034 0.000 0.975 1251 N HN 0.132 nan 8.380 nan 0.000 0.433 1252 M N 0.275 119.904 119.600 0.048 0.000 2.558 1252 M HA 0.075 4.549 4.480 -0.010 0.000 0.255 1252 M C 0.179 176.496 176.300 0.029 0.000 1.113 1252 M CA 0.303 55.630 55.300 0.044 0.000 1.097 1252 M CB -0.295 32.343 32.600 0.064 0.000 1.426 1252 M HN -0.025 nan 8.290 nan 0.000 0.488 1253 R N 1.290 121.808 120.500 0.031 0.000 2.539 1253 R HA 0.252 4.586 4.340 -0.010 0.000 0.275 1253 R C -2.025 174.252 176.300 -0.039 0.000 1.077 1253 R CA -1.443 54.659 56.100 0.003 0.000 1.097 1253 R CB -0.198 30.122 30.300 0.034 0.000 1.018 1253 R HN 0.049 nan 8.270 nan 0.000 0.483 1254 P HA -0.016 nan 4.420 nan 0.000 0.271 1254 P C -0.334 176.863 177.300 -0.173 0.000 1.244 1254 P CA -0.250 62.787 63.100 -0.105 0.000 0.793 1254 P CB 0.463 32.094 31.700 -0.116 0.000 0.984 1255 T N -2.723 111.750 114.554 -0.135 0.000 2.927 1255 T HA 0.327 4.671 4.350 -0.010 0.000 0.281 1255 T C 1.054 175.622 174.700 -0.219 0.000 0.998 1255 T CA -0.378 61.630 62.100 -0.153 0.000 1.019 1255 T CB 0.138 69.010 68.868 0.007 0.000 1.061 1255 T HN 0.084 nan 8.240 nan 0.000 0.518 1256 F N 0.093 120.031 119.950 -0.021 0.000 2.171 1256 F HA 0.067 4.588 4.527 -0.010 0.000 0.300 1256 F C 2.292 178.106 175.800 0.024 0.000 1.090 1256 F CA 0.978 58.933 58.000 -0.075 0.000 1.293 1256 F CB -0.840 38.112 39.000 -0.080 0.000 1.013 1256 F HN 0.411 nan 8.300 nan 0.000 0.486 1257 L N -0.282 121.113 121.223 0.286 0.000 2.079 1257 L HA -0.230 4.104 4.340 -0.010 0.000 0.210 1257 L C 2.286 179.296 176.870 0.234 0.000 1.081 1257 L CA 1.515 56.554 54.840 0.333 0.000 0.752 1257 L CB -0.699 41.543 42.059 0.305 0.000 0.896 1257 L HN 0.196 nan 8.230 nan 0.000 0.433 1258 E N -0.059 120.210 120.200 0.115 0.000 2.106 1258 E HA -0.202 4.142 4.350 -0.010 0.000 0.192 1258 E C 2.246 178.841 176.600 -0.008 0.000 0.984 1258 E CA 0.848 57.280 56.400 0.054 0.000 0.806 1258 E CB 0.078 29.785 29.700 0.013 0.000 0.750 1258 E HN 0.355 nan 8.360 nan 0.000 0.458 1259 I N 0.752 121.298 120.570 -0.040 0.000 2.179 1259 I HA -0.219 3.945 4.170 -0.010 0.000 0.242 1259 I C 2.423 178.482 176.117 -0.097 0.000 1.088 1259 I CA 1.041 62.306 61.300 -0.058 0.000 1.357 1259 I CB -1.107 36.842 38.000 -0.085 0.000 1.051 1259 I HN 0.016 nan 8.210 nan 0.000 0.409 1260 V N 1.370 121.207 119.914 -0.129 0.000 2.287 1260 V HA -0.315 3.799 4.120 -0.010 0.000 0.248 1260 V C 2.344 178.105 176.094 -0.556 0.000 1.053 1260 V CA 2.301 64.399 62.300 -0.336 0.000 1.027 1260 V CB -1.075 30.533 31.823 -0.358 0.000 0.646 1260 V HN 0.416 nan 8.190 nan 0.000 0.447 1261 N N 0.080 118.490 118.700 -0.484 0.000 2.061 1261 N HA -0.211 4.523 4.740 -0.010 0.000 0.193 1261 N C 1.613 177.048 175.510 -0.125 0.000 1.030 1261 N CA 1.632 54.542 53.050 -0.233 0.000 0.856 1261 N CB -0.356 38.198 38.487 0.112 0.000 1.023 1261 N HN 0.356 nan 8.380 nan 0.000 0.424 1262 L N 0.007 121.173 121.223 -0.095 0.000 2.131 1262 L HA 0.025 4.359 4.340 -0.010 0.000 0.210 1262 L C 1.493 178.308 176.870 -0.092 0.000 1.092 1262 L CA 1.389 56.188 54.840 -0.069 0.000 0.759 1262 L CB -0.099 41.928 42.059 -0.053 0.000 0.903 1262 L HN 0.308 nan 8.230 nan 0.000 0.435 1263 L N -1.187 119.950 121.223 -0.144 0.000 2.616 1263 L HA 0.043 4.377 4.340 -0.010 0.000 0.229 1263 L C 2.194 178.943 176.870 -0.203 0.000 1.110 1263 L CA 0.187 54.931 54.840 -0.159 0.000 0.884 1263 L CB -0.380 41.579 42.059 -0.166 0.000 1.115 1263 L HN 0.262 nan 8.230 nan 0.000 0.481 1264 K N -0.377 119.895 120.400 -0.213 0.000 2.209 1264 K HA -0.158 4.156 4.320 -0.010 0.000 0.204 1264 K C 0.791 177.347 176.600 -0.073 0.000 1.048 1264 K CA 1.475 57.652 56.287 -0.183 0.000 0.940 1264 K CB -0.090 32.338 32.500 -0.121 0.000 0.729 1264 K HN 0.153 nan 8.250 nan 0.000 0.451 1265 D N 0.868 121.237 120.400 -0.051 0.000 2.355 1265 D HA -0.039 4.595 4.640 -0.010 0.000 0.218 1265 D C -0.318 175.961 176.300 -0.034 0.000 1.004 1265 D CA 0.827 54.817 54.000 -0.017 0.000 0.880 1265 D CB 0.199 40.996 40.800 -0.005 0.000 0.911 1265 D HN 0.270 nan 8.370 nan 0.000 0.528 1266 D N 0.334 120.695 120.400 -0.064 0.000 2.552 1266 D HA 0.259 4.893 4.640 -0.010 0.000 0.285 1266 D C -0.769 175.481 176.300 -0.084 0.000 1.206 1266 D CA -0.201 53.763 54.000 -0.060 0.000 0.826 1266 D CB 0.061 40.831 40.800 -0.049 0.000 1.179 1266 D HN -0.075 nan 8.370 nan 0.000 0.508 1267 L N 0.250 121.421 121.223 -0.088 0.000 2.256 1267 L HA 0.447 4.781 4.340 -0.010 0.000 0.261 1267 L C 0.580 177.468 176.870 0.030 0.000 1.022 1267 L CA -1.282 53.505 54.840 -0.088 0.000 0.828 1267 L CB 1.699 43.584 42.059 -0.289 0.000 1.374 1267 L HN 0.239 nan 8.230 nan 0.000 0.436 1268 H N 1.654 120.735 119.070 0.019 0.000 3.064 1268 H HA -0.019 4.526 4.556 -0.018 0.000 0.329 1268 H C -1.835 173.550 175.328 0.096 0.000 1.020 1268 H CA -0.631 55.457 56.048 0.067 0.000 1.402 1268 H CB 1.523 31.345 29.762 0.101 0.000 1.379 1268 H HN 0.263 nan 8.280 nan 0.000 0.594 1269 P HA -0.175 nan 4.420 nan 0.000 0.220 1269 P C 1.420 178.716 177.300 -0.007 0.000 1.144 1269 P CA 1.752 64.754 63.100 -0.164 0.000 0.800 1269 P CB 0.104 31.649 31.700 -0.258 0.000 0.772 1270 S N -2.347 113.451 115.700 0.163 0.000 2.489 1270 S HA -0.112 4.352 4.470 -0.010 0.000 0.228 1270 S C 1.770 176.478 174.600 0.180 0.000 0.995 1270 S CA 0.049 58.377 58.200 0.213 0.000 0.934 1270 S CB -1.513 61.885 63.200 0.330 0.000 0.771 1270 S HN 0.012 nan 8.310 nan 0.000 0.522 1271 F N 3.960 123.986 119.950 0.127 0.000 2.043 1271 F HA 0.024 4.548 4.527 -0.006 0.000 0.297 1271 F C -1.028 174.837 175.800 0.108 0.000 1.121 1271 F CA 1.386 59.477 58.000 0.151 0.000 1.199 1271 F CB -1.303 37.795 39.000 0.163 0.000 0.968 1271 F HN 0.211 nan 8.300 nan 0.000 0.478 1272 P HA -0.162 nan 4.420 nan 0.000 0.218 1272 P C 1.300 178.528 177.300 -0.120 0.000 1.148 1272 P CA 1.626 64.545 63.100 -0.302 0.000 0.822 1272 P CB -0.107 31.322 31.700 -0.451 0.000 0.784 1273 E N -0.769 119.376 120.200 -0.093 0.000 2.208 1273 E HA -0.070 4.274 4.350 -0.010 0.000 0.193 1273 E C 1.802 178.323 176.600 -0.132 0.000 0.988 1273 E CA 1.231 57.579 56.400 -0.085 0.000 0.828 1273 E CB -0.399 29.262 29.700 -0.065 0.000 0.763 1273 E HN 0.293 nan 8.360 nan 0.000 0.478 1274 V N -1.845 117.945 119.914 -0.207 0.000 3.570 1274 V HA 0.178 4.292 4.120 -0.010 0.000 0.257 1274 V C 1.127 177.051 176.094 -0.284 0.000 1.272 1274 V CA 0.177 62.283 62.300 -0.324 0.000 1.079 1274 V CB -0.032 31.403 31.823 -0.646 0.000 0.829 1274 V HN 0.067 nan 8.190 nan 0.000 0.454 1275 S N 0.380 115.900 115.700 -0.300 0.000 2.573 1275 S HA 0.199 4.663 4.470 -0.010 0.000 0.277 1275 S C 0.737 175.374 174.600 0.061 0.000 1.346 1275 S CA 0.248 58.328 58.200 -0.201 0.000 1.034 1275 S CB 0.559 63.479 63.200 -0.468 0.000 0.879 1275 S HN 0.507 nan 8.310 nan 0.000 0.528 1276 F N 2.989 122.972 119.950 0.054 0.000 2.146 1276 F HA 0.007 4.527 4.527 -0.012 0.000 0.298 1276 F C 1.620 177.506 175.800 0.142 0.000 1.096 1276 F CA 0.968 59.042 58.000 0.124 0.000 1.275 1276 F CB -0.690 38.443 39.000 0.221 0.000 1.008 1276 F HN 0.742 nan 8.300 nan 0.000 0.480 1277 F N 1.225 121.070 119.950 -0.176 0.000 2.063 1277 F HA -0.299 4.218 4.527 -0.016 0.000 0.298 1277 F C 2.131 177.684 175.800 -0.411 0.000 1.109 1277 F CA 2.553 60.353 58.000 -0.334 0.000 1.212 1277 F CB -0.870 38.039 39.000 -0.151 0.000 0.973 1277 F HN 0.108 nan 8.300 nan 0.000 0.480 1278 H N -0.873 118.208 119.070 0.019 0.000 2.533 1278 H HA 0.206 4.761 4.556 -0.002 0.000 0.271 1278 H C 0.844 176.105 175.328 -0.113 0.000 1.000 1278 H CA 0.246 56.264 56.048 -0.050 0.000 1.149 1278 H CB -0.325 29.495 29.762 0.096 0.000 1.375 1278 H HN 0.127 nan 8.280 nan 0.000 0.582 1279 S N 0.317 115.968 115.700 -0.083 0.000 2.632 1279 S HA 0.002 4.466 4.470 -0.010 0.000 0.271 1279 S C 1.460 176.004 174.600 -0.094 0.000 1.260 1279 S CA -0.625 57.544 58.200 -0.051 0.000 1.010 1279 S CB 1.648 64.856 63.200 0.014 0.000 0.965 1279 S HN 0.640 nan 8.310 nan 0.000 0.534 1280 E N 0.504 120.687 120.200 -0.028 0.000 2.333 1280 E HA -0.205 4.139 4.350 -0.010 0.000 0.198 1280 E C 1.163 177.758 176.600 -0.009 0.000 1.007 1280 E CA 1.275 57.662 56.400 -0.023 0.000 0.845 1280 E CB -0.309 29.395 29.700 0.007 0.000 0.766 1280 E HN 0.841 nan 8.360 nan 0.000 0.507 1281 E N 0.843 121.065 120.200 0.036 0.000 2.216 1281 E HA -0.070 4.274 4.350 -0.010 0.000 0.192 1281 E C 0.402 177.053 176.600 0.086 0.000 0.988 1281 E CA 0.134 56.617 56.400 0.139 0.000 0.834 1281 E CB -0.073 29.832 29.700 0.341 0.000 0.772 1281 E HN 0.138 nan 8.360 nan 0.000 0.479 1282 N N 1.954 120.494 118.700 -0.266 0.000 2.434 1282 N HA -0.029 4.705 4.740 -0.010 0.000 0.273 1282 N C -1.191 174.178 175.510 -0.235 0.000 1.210 1282 N CA 0.220 52.956 53.050 -0.523 0.000 0.992 1282 N CB 0.141 38.005 38.487 -1.039 0.000 1.355 1282 N HN -0.206 nan 8.380 nan 0.000 0.495 1283 K N 0.000 120.356 120.400 -0.072 0.000 2.780 1283 K HA 0.000 4.314 4.320 -0.010 0.000 0.191 1283 K CA 0.000 56.261 56.287 -0.042 0.000 0.838 1283 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543