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_S DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXPPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEENK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.672 174.600 0.120 0.000 1.055 980 S CA 0.000 58.253 58.200 0.089 0.000 1.107 980 S CB 0.000 63.246 63.200 0.077 0.000 0.593 981 F N 2.758 122.717 119.950 0.016 0.000 2.427 981 F HA 0.669 5.196 4.527 -0.000 0.000 0.352 981 F C 0.596 176.412 175.800 0.026 0.000 1.100 981 F CA 1.195 59.208 58.000 0.022 0.000 1.191 981 F CB 1.118 40.130 39.000 0.021 0.000 1.128 981 F HN 1.048 nan 8.300 nan 0.000 0.533 982 S N 3.812 119.294 115.700 -0.363 0.000 2.625 982 S HA 0.660 5.130 4.470 -0.000 0.000 0.271 982 S C 0.481 174.915 174.600 -0.275 0.000 1.161 982 S CA -0.403 57.687 58.200 -0.184 0.000 0.820 982 S CB 0.954 64.103 63.200 -0.085 0.000 1.137 982 S HN 1.012 nan 8.310 nan 0.000 0.470 983 A N 1.280 124.042 122.820 -0.097 0.000 1.971 983 A HA -0.039 4.281 4.320 -0.000 0.000 0.222 983 A C 2.357 179.937 177.584 -0.006 0.000 1.182 983 A CA 2.877 54.900 52.037 -0.024 0.000 0.649 983 A CB -1.826 17.082 19.000 -0.154 0.000 0.818 983 A HN 1.736 nan 8.150 nan 0.000 0.458 984 A N -0.649 122.116 122.820 -0.092 0.000 1.978 984 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 984 A C 1.759 179.277 177.584 -0.110 0.000 1.170 984 A CA 1.741 53.733 52.037 -0.076 0.000 0.636 984 A CB -0.535 18.424 19.000 -0.068 0.000 0.810 984 A HN 0.543 nan 8.150 nan 0.000 0.448 985 D N -0.793 119.450 120.400 -0.261 0.000 2.264 985 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 985 D C 1.844 178.025 176.300 -0.198 0.000 0.966 985 D CA 1.701 55.502 54.000 -0.332 0.000 0.864 985 D CB 0.246 40.566 40.800 -0.801 0.000 0.933 985 D HN 0.441 nan 8.370 nan 0.000 0.499 986 V N -1.942 117.896 119.914 -0.127 0.000 3.455 986 V HA 0.052 4.172 4.120 -0.000 0.000 0.250 986 V C 1.182 177.194 176.094 -0.136 0.000 1.230 986 V CA 0.202 62.456 62.300 -0.077 0.000 1.105 986 V CB -0.256 31.545 31.823 -0.037 0.000 0.850 986 V HN -0.026 nan 8.190 nan 0.000 0.461 987 Y N 1.546 121.790 120.300 -0.093 0.000 2.466 987 Y HA 0.436 4.986 4.550 -0.000 0.000 0.272 987 Y C 0.885 176.712 175.900 -0.121 0.000 1.169 987 Y CA 0.588 58.629 58.100 -0.099 0.000 1.285 987 Y CB 0.901 39.291 38.460 -0.118 0.000 1.078 987 Y HN 0.289 nan 8.280 nan 0.000 0.523 988 V N -1.253 118.668 119.914 0.011 0.000 2.409 988 V HA 0.561 4.681 4.120 -0.000 0.000 0.291 988 V C -2.803 173.311 176.094 0.034 0.000 1.020 988 V CA -3.118 59.169 62.300 -0.022 0.000 0.848 988 V CB 1.146 32.950 31.823 -0.032 0.000 0.990 988 V HN -0.142 nan 8.190 nan 0.000 0.430 989 P HA 0.158 nan 4.420 nan 0.000 0.267 989 P C 0.398 177.808 177.300 0.182 0.000 1.209 989 P CA 0.141 63.333 63.100 0.152 0.000 0.763 989 P CB 0.537 32.400 31.700 0.272 0.000 0.816 990 D N 2.486 122.940 120.400 0.090 0.000 2.411 990 D HA -0.207 4.433 4.640 -0.000 0.000 0.226 990 D C 0.676 177.003 176.300 0.045 0.000 0.988 990 D CA 0.819 54.856 54.000 0.063 0.000 0.938 990 D CB -0.434 40.385 40.800 0.031 0.000 0.883 990 D HN 0.628 nan 8.370 nan 0.000 0.525 991 E N -1.150 119.071 120.200 0.034 0.000 2.489 991 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 991 E C 0.674 177.086 176.600 -0.314 0.000 1.057 991 E CA -0.125 56.195 56.400 -0.133 0.000 0.866 991 E CB -0.392 29.189 29.700 -0.200 0.000 0.916 991 E HN 0.352 nan 8.360 nan 0.000 0.500 992 W N 1.488 122.769 121.300 -0.031 0.000 2.975 992 W HA 0.258 4.918 4.660 -0.000 0.000 0.316 992 W C 0.568 177.069 176.519 -0.031 0.000 1.131 992 W CA -0.659 56.665 57.345 -0.034 0.000 1.624 992 W CB 0.504 29.934 29.460 -0.049 0.000 1.038 992 W HN -0.023 nan 8.180 nan 0.000 0.571 993 E N 2.056 122.356 120.200 0.166 0.000 2.452 993 E HA 0.171 4.521 4.350 -0.000 0.000 0.261 993 E C -0.540 176.093 176.600 0.055 0.000 0.987 993 E CA 0.210 56.664 56.400 0.090 0.000 0.926 993 E CB 1.069 30.803 29.700 0.056 0.000 0.934 993 E HN -0.080 nan 8.360 nan 0.000 0.452 994 V N 2.499 122.442 119.914 0.047 0.000 2.789 994 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 994 V C -0.713 175.392 176.094 0.020 0.000 1.073 994 V CA -0.244 62.073 62.300 0.029 0.000 0.921 994 V CB 1.659 33.503 31.823 0.034 0.000 1.009 994 V HN 0.818 nan 8.190 nan 0.000 0.426 995 A N 5.611 128.438 122.820 0.012 0.000 2.477 995 A HA 0.428 4.748 4.320 -0.000 0.000 0.246 995 A C 1.229 178.816 177.584 0.006 0.000 1.078 995 A CA 0.347 52.389 52.037 0.007 0.000 0.770 995 A CB 0.161 19.163 19.000 0.004 0.000 1.011 995 A HN 1.208 nan 8.150 nan 0.000 0.494 996 R N 1.906 122.408 120.500 0.002 0.000 2.115 996 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 996 R C 1.202 177.499 176.300 -0.006 0.000 1.111 996 R CA 1.392 57.490 56.100 -0.004 0.000 0.976 996 R CB -0.415 29.879 30.300 -0.010 0.000 0.870 996 R HN 0.830 nan 8.270 nan 0.000 0.445 997 E N 2.289 122.486 120.200 -0.005 0.000 2.187 997 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 997 E C 1.211 177.810 176.600 -0.003 0.000 1.004 997 E CA 1.411 57.808 56.400 -0.005 0.000 0.813 997 E CB -0.318 29.381 29.700 -0.003 0.000 0.736 997 E HN 0.485 nan 8.360 nan 0.000 0.468 998 K N 0.193 120.593 120.400 0.000 0.000 2.487 998 K HA 0.121 4.441 4.320 -0.000 0.000 0.192 998 K C 0.263 176.866 176.600 0.004 0.000 1.027 998 K CA 0.168 56.456 56.287 0.003 0.000 1.054 998 K CB 0.335 32.838 32.500 0.005 0.000 0.824 998 K HN 0.110 nan 8.250 nan 0.000 0.510 999 I N 1.000 121.570 120.570 0.000 0.000 2.509 999 I HA 0.142 4.312 4.170 -0.000 0.000 0.293 999 I C 0.042 176.153 176.117 -0.011 0.000 1.020 999 I CA -0.587 60.713 61.300 -0.001 0.000 1.088 999 I CB 1.684 39.684 38.000 0.000 0.000 1.267 999 I HN -0.131 nan 8.210 nan 0.000 0.430 1000 T N 5.167 119.716 114.554 -0.008 0.000 2.879 1000 T HA 0.665 5.015 4.350 -0.000 0.000 0.290 1000 T C -0.582 174.110 174.700 -0.013 0.000 0.993 1000 T CA -0.805 61.285 62.100 -0.017 0.000 0.975 1000 T CB 1.224 70.088 68.868 -0.007 0.000 0.981 1000 T HN 0.446 nan 8.240 nan 0.000 0.439 1001 M N 3.751 123.326 119.600 -0.042 0.000 2.318 1001 M HA 0.431 4.911 4.480 -0.000 0.000 0.347 1001 M C 1.146 177.460 176.300 0.022 0.000 1.175 1001 M CA -0.972 54.312 55.300 -0.027 0.000 1.075 1001 M CB 1.747 34.232 32.600 -0.191 0.000 1.614 1001 M HN 0.884 nan 8.290 nan 0.000 0.456 1002 S N 3.455 119.210 115.700 0.092 0.000 2.860 1002 S HA 0.282 4.752 4.470 -0.000 0.000 0.181 1002 S C 0.486 175.181 174.600 0.159 0.000 0.763 1002 S CA -0.350 57.906 58.200 0.093 0.000 0.829 1002 S CB 0.244 63.482 63.200 0.063 0.000 0.793 1002 S HN 0.803 nan 8.310 nan 0.000 0.614 1003 R N 0.918 121.512 120.500 0.156 0.000 2.778 1003 R HA 0.744 5.084 4.340 -0.000 0.000 0.277 1003 R C -1.385 174.944 176.300 0.048 0.000 0.977 1003 R CA -0.824 55.345 56.100 0.114 0.000 0.950 1003 R CB 0.719 31.042 30.300 0.039 0.000 1.165 1003 R HN 0.170 nan 8.270 nan 0.000 0.474 1004 E N 0.930 121.024 120.200 -0.176 0.000 2.398 1004 E HA 0.068 4.418 4.350 -0.000 0.000 0.263 1004 E C -0.004 176.453 176.600 -0.238 0.000 1.046 1004 E CA 0.065 56.160 56.400 -0.509 0.000 0.908 1004 E CB 0.737 30.097 29.700 -0.567 0.000 0.963 1004 E HN 0.563 nan 8.360 nan 0.000 0.431 1005 L N 0.670 121.758 121.223 -0.226 0.000 2.547 1005 L HA 0.428 4.768 4.340 -0.000 0.000 0.218 1005 L C 0.912 177.715 176.870 -0.112 0.000 1.048 1005 L CA 0.479 55.249 54.840 -0.116 0.000 0.859 1005 L CB 0.451 42.471 42.059 -0.065 0.000 1.128 1005 L HN 0.659 nan 8.230 nan 0.000 0.483 1006 G N -0.929 107.786 108.800 -0.142 0.000 2.315 1006 G HA2 0.220 4.180 3.960 -0.000 0.000 0.294 1006 G HA3 0.220 4.180 3.960 -0.000 0.000 0.294 1006 G C -2.000 172.834 174.900 -0.110 0.000 1.300 1006 G CA -0.633 44.401 45.100 -0.111 0.000 0.843 1006 G HN -0.213 nan 8.290 nan 0.000 0.527 1007 Q N -0.285 119.463 119.800 -0.087 0.000 2.279 1007 Q HA 0.595 4.935 4.340 -0.000 0.000 0.256 1007 Q C 0.483 176.439 176.000 -0.074 0.000 0.937 1007 Q CA 0.608 56.363 55.803 -0.081 0.000 0.933 1007 Q CB 1.196 29.890 28.738 -0.074 0.000 1.189 1007 Q HN 0.973 nan 8.270 nan 0.000 0.417 1008 G N 0.741 109.498 108.800 -0.071 0.000 2.537 1008 G HA2 0.343 4.303 3.960 -0.000 0.000 0.323 1008 G HA3 0.343 4.303 3.960 -0.000 0.000 0.323 1008 G C 0.617 175.442 174.900 -0.125 0.000 1.207 1008 G CA -0.196 44.863 45.100 -0.068 0.000 0.976 1008 G HN 0.769 nan 8.290 nan 0.000 0.487 1009 S N -0.399 115.203 115.700 -0.163 0.000 2.400 1009 S HA -0.199 4.271 4.470 -0.000 0.000 0.234 1009 S C 1.384 175.612 174.600 -0.621 0.000 1.049 1009 S CA 1.798 59.761 58.200 -0.395 0.000 1.039 1009 S CB -0.359 62.570 63.200 -0.453 0.000 0.856 1009 S HN 0.428 nan 8.310 nan 0.000 0.465 1010 F N 1.282 121.116 119.950 -0.193 0.000 2.746 1010 F HA 0.570 5.097 4.527 -0.000 0.000 0.320 1010 F C 1.301 176.926 175.800 -0.293 0.000 1.097 1010 F CA 0.034 57.854 58.000 -0.300 0.000 1.195 1010 F CB 1.330 39.977 39.000 -0.587 0.000 1.056 1010 F HN 0.562 nan 8.300 nan 0.000 0.562 1011 G N -0.078 108.666 108.800 -0.092 0.000 2.341 1011 G HA2 0.362 4.322 3.960 -0.000 0.000 0.299 1011 G HA3 0.362 4.322 3.960 -0.000 0.000 0.299 1011 G C -1.840 173.039 174.900 -0.034 0.000 1.274 1011 G CA -1.007 44.053 45.100 -0.068 0.000 0.853 1011 G HN -0.125 nan 8.290 nan 0.000 0.493 1012 M N 0.682 120.293 119.600 0.019 0.000 2.249 1012 M HA 0.651 5.131 4.480 -0.000 0.000 0.351 1012 M C -0.446 175.900 176.300 0.077 0.000 1.180 1012 M CA -0.340 54.970 55.300 0.017 0.000 1.127 1012 M CB 1.576 34.204 32.600 0.047 0.000 1.546 1012 M HN 0.325 nan 8.290 nan 0.000 0.461 1013 V N 5.829 125.731 119.914 -0.021 0.000 2.435 1013 V HA 0.419 4.539 4.120 -0.000 0.000 0.290 1013 V C -0.978 175.087 176.094 -0.048 0.000 1.030 1013 V CA -0.511 61.815 62.300 0.042 0.000 0.881 1013 V CB 0.880 32.711 31.823 0.012 0.000 0.983 1013 V HN 0.774 nan 8.190 nan 0.000 0.445 1014 Y N 1.724 122.027 120.300 0.004 0.000 2.549 1014 Y HA 0.515 5.065 4.550 -0.000 0.000 0.339 1014 Y C 0.422 176.326 175.900 0.006 0.000 1.053 1014 Y CA -0.810 57.292 58.100 0.003 0.000 1.105 1014 Y CB 1.737 40.199 38.460 0.004 0.000 1.258 1014 Y HN 0.689 nan 8.280 nan 0.000 0.478 1015 E N 0.501 120.795 120.200 0.156 0.000 2.318 1015 E HA 0.664 5.014 4.350 -0.000 0.000 0.265 1015 E C -0.358 176.305 176.600 0.105 0.000 1.069 1015 E CA -0.333 56.126 56.400 0.098 0.000 0.893 1015 E CB 1.187 30.921 29.700 0.056 0.000 1.076 1015 E HN 0.813 nan 8.360 nan 0.000 0.414 1016 G N 0.380 109.220 108.800 0.067 0.000 2.554 1016 G HA2 0.426 4.386 3.960 -0.000 0.000 0.306 1016 G HA3 0.426 4.386 3.960 -0.000 0.000 0.306 1016 G C -1.707 173.213 174.900 0.033 0.000 1.320 1016 G CA -0.523 44.607 45.100 0.050 0.000 0.800 1016 G HN 0.492 nan 8.290 nan 0.000 0.481 1017 V N 0.500 120.429 119.914 0.025 0.000 2.525 1017 V HA 0.702 4.822 4.120 -0.000 0.000 0.299 1017 V C -0.009 176.095 176.094 0.017 0.000 1.034 1017 V CA -0.293 62.019 62.300 0.020 0.000 0.863 1017 V CB 1.311 33.143 31.823 0.016 0.000 0.999 1017 V HN 1.415 nan 8.190 nan 0.000 0.423 1018 A N 5.745 128.577 122.820 0.020 0.000 2.256 1018 A HA 0.616 4.936 4.320 -0.000 0.000 0.317 1018 A C -0.070 177.524 177.584 0.015 0.000 1.318 1018 A CA -0.609 51.439 52.037 0.019 0.000 0.894 1018 A CB 0.352 19.368 19.000 0.027 0.000 1.165 1018 A HN 0.754 nan 8.150 nan 0.000 0.525 1019 K N 1.626 122.033 120.400 0.011 0.000 2.312 1019 K HA 0.395 4.715 4.320 -0.000 0.000 0.287 1019 K C 0.874 177.478 176.600 0.007 0.000 1.062 1019 K CA 0.680 56.972 56.287 0.008 0.000 0.934 1019 K CB 0.807 33.310 32.500 0.006 0.000 1.027 1019 K HN 1.359 nan 8.250 nan 0.000 0.478 1020 G N 2.022 110.826 108.800 0.006 0.000 2.314 1020 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 1020 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 1020 G C 0.491 175.391 174.900 0.001 0.000 1.059 1020 G CA 0.471 45.572 45.100 0.002 0.000 0.982 1020 G HN 0.541 nan 8.290 nan 0.000 0.505 1021 V N -3.889 116.029 119.914 0.007 0.000 2.806 1021 V HA 0.497 4.617 4.120 -0.000 0.000 0.239 1021 V C 1.372 177.470 176.094 0.007 0.000 1.113 1021 V CA 0.918 63.223 62.300 0.010 0.000 1.137 1021 V CB 0.176 32.015 31.823 0.025 0.000 0.865 1021 V HN 0.472 nan 8.190 nan 0.000 0.482 1022 V N 3.008 122.930 119.914 0.013 0.000 2.432 1022 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 1022 V C 0.031 176.128 176.094 0.006 0.000 1.043 1022 V CA -0.736 61.572 62.300 0.013 0.000 0.925 1022 V CB 1.025 32.862 31.823 0.024 0.000 0.985 1022 V HN 0.569 nan 8.190 nan 0.000 0.466 1023 K N 4.453 124.853 120.400 0.000 0.000 2.504 1023 K HA 0.103 4.423 4.320 -0.000 0.000 0.278 1023 K C 0.393 176.994 176.600 0.002 0.000 1.025 1023 K CA 0.612 56.897 56.287 -0.004 0.000 1.093 1023 K CB -0.305 32.191 32.500 -0.007 0.000 0.873 1023 K HN 0.719 nan 8.250 nan 0.000 0.483 1024 D N 0.680 121.080 120.400 0.000 0.000 2.553 1024 D HA -0.158 4.482 4.640 -0.000 0.000 0.178 1024 D C -0.923 175.380 176.300 0.005 0.000 0.951 1024 D CA 1.370 55.371 54.000 0.002 0.000 1.015 1024 D CB -0.691 40.111 40.800 0.004 0.000 1.069 1024 D HN 0.777 nan 8.370 nan 0.000 0.463 1025 E N 0.219 120.422 120.200 0.006 0.000 2.101 1025 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 1025 E C -2.000 174.605 176.600 0.007 0.000 0.897 1025 E CA -1.698 54.708 56.400 0.009 0.000 0.744 1025 E CB 1.595 31.303 29.700 0.013 0.000 1.140 1025 E HN 0.009 nan 8.360 nan 0.000 0.419 1026 P HA -0.178 nan 4.420 nan 0.000 0.218 1026 P C -0.371 176.933 177.300 0.007 0.000 1.146 1026 P CA 1.423 64.526 63.100 0.005 0.000 0.820 1026 P CB 0.359 32.062 31.700 0.005 0.000 0.778 1027 E N -1.987 118.218 120.200 0.009 0.000 2.331 1027 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 1027 E C -0.940 175.668 176.600 0.014 0.000 0.895 1027 E CA -0.492 55.915 56.400 0.011 0.000 0.753 1027 E CB 2.300 32.006 29.700 0.011 0.000 1.216 1027 E HN -0.213 nan 8.360 nan 0.000 0.434 1028 T N 1.414 115.978 114.554 0.016 0.000 2.909 1028 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 1028 T C -0.380 174.332 174.700 0.020 0.000 1.073 1028 T CA -0.884 61.227 62.100 0.019 0.000 0.999 1028 T CB 1.503 70.384 68.868 0.022 0.000 1.098 1028 T HN 0.229 nan 8.240 nan 0.000 0.477 1029 R N 1.445 121.957 120.500 0.019 0.000 2.265 1029 R HA 0.630 4.970 4.340 -0.000 0.000 0.314 1029 R C -0.190 176.123 176.300 0.022 0.000 1.053 1029 R CA -0.506 55.605 56.100 0.019 0.000 0.931 1029 R CB 0.741 31.049 30.300 0.014 0.000 1.024 1029 R HN 0.560 nan 8.270 nan 0.000 0.457 1030 V N -0.527 119.405 119.914 0.029 0.000 3.040 1030 V HA 0.862 4.982 4.120 -0.000 0.000 0.312 1030 V C -0.430 175.690 176.094 0.044 0.000 1.115 1030 V CA -1.287 61.035 62.300 0.036 0.000 0.998 1030 V CB 1.965 33.813 31.823 0.042 0.000 1.042 1030 V HN 0.782 nan 8.190 nan 0.000 0.433 1031 A N 3.143 125.992 122.820 0.047 0.000 2.310 1031 A HA 0.889 5.209 4.320 -0.000 0.000 0.299 1031 A C -0.437 177.196 177.584 0.081 0.000 1.147 1031 A CA -0.575 51.499 52.037 0.061 0.000 0.818 1031 A CB 0.228 19.257 19.000 0.049 0.000 1.096 1031 A HN 0.918 nan 8.150 nan 0.000 0.495 1032 I N 1.415 122.051 120.570 0.110 0.000 2.499 1032 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 1032 I C -0.268 175.943 176.117 0.157 0.000 1.048 1032 I CA -0.639 60.731 61.300 0.115 0.000 1.062 1032 I CB 2.272 40.322 38.000 0.084 0.000 1.238 1032 I HN 0.677 nan 8.210 nan 0.000 0.426 1033 K N 4.361 124.847 120.400 0.144 0.000 2.206 1033 K HA 0.533 4.853 4.320 -0.000 0.000 0.264 1033 K C -0.568 176.096 176.600 0.107 0.000 0.967 1033 K CA -0.316 56.057 56.287 0.143 0.000 0.844 1033 K CB 1.272 33.876 32.500 0.174 0.000 1.099 1033 K HN 0.660 nan 8.250 nan 0.000 0.441 1034 T N 0.638 115.242 114.554 0.084 0.000 2.772 1034 T HA 0.374 4.724 4.350 -0.000 0.000 0.288 1034 T C -0.505 174.173 174.700 -0.037 0.000 0.994 1034 T CA -0.879 61.238 62.100 0.028 0.000 0.951 1034 T CB 1.164 70.047 68.868 0.026 0.000 0.933 1034 T HN 0.211 nan 8.240 nan 0.000 0.447 1035 V N 5.606 125.475 119.914 -0.075 0.000 2.348 1035 V HA 0.287 4.407 4.120 -0.000 0.000 0.270 1035 V C 0.771 176.836 176.094 -0.049 0.000 1.037 1035 V CA -0.840 61.386 62.300 -0.122 0.000 0.872 1035 V CB -0.049 31.651 31.823 -0.206 0.000 1.002 1035 V HN 1.054 nan 8.190 nan 0.000 0.464 1036 N N 3.150 121.828 118.700 -0.037 0.000 2.364 1036 N HA 0.199 4.939 4.740 -0.000 0.000 0.264 1036 N C 0.746 176.246 175.510 -0.018 0.000 1.263 1036 N CA -0.689 52.349 53.050 -0.019 0.000 0.959 1036 N CB 1.203 39.685 38.487 -0.009 0.000 1.204 1036 N HN 0.534 nan 8.380 nan 0.000 0.550 1037 E N -0.667 119.527 120.200 -0.010 0.000 2.152 1037 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 1037 E C 1.964 178.561 176.600 -0.005 0.000 0.983 1037 E CA 0.766 57.162 56.400 -0.007 0.000 0.818 1037 E CB -0.236 29.463 29.700 -0.002 0.000 0.758 1037 E HN 0.717 nan 8.360 nan 0.000 0.467 1038 A N 1.466 124.283 122.820 -0.005 0.000 2.084 1038 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 1038 A C 1.365 178.947 177.584 -0.004 0.000 1.161 1038 A CA 1.047 53.082 52.037 -0.003 0.000 0.653 1038 A CB -0.507 18.491 19.000 -0.004 0.000 0.802 1038 A HN 0.251 nan 8.150 nan 0.000 0.457 1039 A N 1.091 123.906 122.820 -0.008 0.000 2.520 1039 A HA 0.461 4.781 4.320 -0.000 0.000 0.245 1039 A C 0.947 178.528 177.584 -0.004 0.000 1.072 1039 A CA 0.221 52.254 52.037 -0.006 0.000 0.761 1039 A CB -0.297 18.692 19.000 -0.019 0.000 1.004 1039 A HN 1.053 nan 8.150 nan 0.000 0.499 1040 S N 3.120 118.821 115.700 0.003 0.000 2.566 1040 S HA 0.067 4.537 4.470 -0.000 0.000 0.280 1040 S C 1.142 175.733 174.600 -0.015 0.000 1.343 1040 S CA 0.349 58.549 58.200 -0.000 0.000 1.036 1040 S CB 0.210 63.414 63.200 0.007 0.000 0.866 1040 S HN 0.852 nan 8.310 nan 0.000 0.526 1041 M N 1.263 120.851 119.600 -0.019 0.000 2.117 1041 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 1041 M C 2.459 178.715 176.300 -0.072 0.000 1.065 1041 M CA 1.382 56.655 55.300 -0.045 0.000 1.114 1041 M CB -0.216 32.368 32.600 -0.026 0.000 1.361 1041 M HN 0.808 nan 8.290 nan 0.000 0.408 1042 R N 0.580 121.055 120.500 -0.042 0.000 2.096 1042 R HA -0.204 4.135 4.340 -0.000 0.000 0.240 1042 R C 1.912 178.189 176.300 -0.039 0.000 1.139 1042 R CA 2.243 58.318 56.100 -0.041 0.000 0.952 1042 R CB -0.647 29.648 30.300 -0.008 0.000 0.854 1042 R HN 0.585 nan 8.270 nan 0.000 0.436 1043 E N -0.297 119.902 120.200 -0.002 0.000 2.077 1043 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 1043 E C 2.131 178.692 176.600 -0.066 0.000 0.989 1043 E CA 0.986 57.413 56.400 0.045 0.000 0.800 1043 E CB -0.075 29.680 29.700 0.092 0.000 0.746 1043 E HN 0.260 nan 8.360 nan 0.000 0.452 1044 R N 0.413 120.860 120.500 -0.089 0.000 2.153 1044 R HA -0.013 4.327 4.340 -0.000 0.000 0.218 1044 R C 2.211 178.398 176.300 -0.188 0.000 1.072 1044 R CA 0.401 56.444 56.100 -0.095 0.000 0.990 1044 R CB 0.089 30.350 30.300 -0.065 0.000 0.889 1044 R HN 0.135 nan 8.270 nan 0.000 0.452 1045 I N 0.402 120.800 120.570 -0.286 0.000 2.235 1045 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 1045 I C 2.185 178.101 176.117 -0.335 0.000 1.085 1045 I CA 1.055 62.069 61.300 -0.477 0.000 1.378 1045 I CB -0.356 37.288 38.000 -0.593 0.000 1.076 1045 I HN 0.239 nan 8.210 nan 0.000 0.415 1046 E N 0.643 120.711 120.200 -0.220 0.000 2.114 1046 E HA -0.299 4.051 4.350 -0.000 0.000 0.199 1046 E C 2.088 178.526 176.600 -0.270 0.000 1.008 1046 E CA 1.863 58.172 56.400 -0.150 0.000 0.810 1046 E CB -0.224 29.471 29.700 -0.008 0.000 0.739 1046 E HN 0.422 nan 8.360 nan 0.000 0.456 1047 F N 0.786 120.297 119.950 -0.733 0.000 2.234 1047 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 1047 F C 1.851 177.348 175.800 -0.505 0.000 1.087 1047 F CA 0.760 58.129 58.000 -1.051 0.000 1.340 1047 F CB -0.046 38.123 39.000 -1.385 0.000 1.031 1047 F HN -0.028 nan 8.300 nan 0.000 0.500 1048 L N 0.391 121.253 121.223 -0.602 0.000 2.179 1048 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 1048 L C 1.882 178.511 176.870 -0.401 0.000 1.096 1048 L CA 1.406 55.898 54.840 -0.580 0.000 0.779 1048 L CB -1.641 40.202 42.059 -0.359 0.000 0.922 1048 L HN 0.136 nan 8.230 nan 0.000 0.443 1049 N N -0.800 117.727 118.700 -0.288 0.000 2.300 1049 N HA -0.164 4.576 4.740 -0.000 0.000 0.179 1049 N C 1.741 177.124 175.510 -0.212 0.000 1.016 1049 N CA 0.730 53.668 53.050 -0.186 0.000 0.876 1049 N CB 0.102 38.531 38.487 -0.097 0.000 0.979 1049 N HN 0.363 nan 8.380 nan 0.000 0.432 1050 E N 0.637 120.707 120.200 -0.216 0.000 2.110 1050 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 1050 E C 1.751 178.202 176.600 -0.248 0.000 0.988 1050 E CA 1.126 57.429 56.400 -0.161 0.000 0.804 1050 E CB -0.038 29.637 29.700 -0.042 0.000 0.745 1050 E HN 0.393 nan 8.360 nan 0.000 0.458 1051 A N 0.170 122.763 122.820 -0.378 0.000 1.968 1051 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 1051 A C 2.302 179.601 177.584 -0.476 0.000 1.169 1051 A CA 1.349 53.127 52.037 -0.431 0.000 0.638 1051 A CB -0.338 18.314 19.000 -0.581 0.000 0.812 1051 A HN 0.249 nan 8.150 nan 0.000 0.446 1052 S N -0.991 114.451 115.700 -0.430 0.000 2.447 1052 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 1052 S C 1.709 176.040 174.600 -0.448 0.000 1.006 1052 S CA 1.111 59.053 58.200 -0.430 0.000 0.957 1052 S CB -0.120 62.912 63.200 -0.280 0.000 0.773 1052 S HN 0.346 nan 8.310 nan 0.000 0.507 1053 V N 2.023 121.665 119.914 -0.455 0.000 2.951 1053 V HA -0.041 4.079 4.120 -0.000 0.000 0.255 1053 V C 1.888 177.319 176.094 -1.106 0.000 1.088 1053 V CA 0.928 62.859 62.300 -0.614 0.000 1.109 1053 V CB -0.355 31.178 31.823 -0.483 0.000 0.724 1053 V HN 0.441 nan 8.190 nan 0.000 0.471 1054 M N 0.376 119.466 119.600 -0.849 0.000 2.059 1054 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 1054 M C 2.565 178.421 176.300 -0.740 0.000 1.072 1054 M CA 2.601 57.407 55.300 -0.823 0.000 1.117 1054 M CB -1.688 30.670 32.600 -0.403 0.000 1.320 1054 M HN 0.415 nan 8.290 nan 0.000 0.408 1055 K N 1.031 121.010 120.400 -0.701 0.000 2.097 1055 K HA -0.311 4.009 4.320 -0.000 0.000 0.223 1055 K C 1.728 178.221 176.600 -0.178 0.000 1.049 1055 K CA 2.805 58.675 56.287 -0.695 0.000 0.956 1055 K CB -2.042 29.948 32.500 -0.850 0.000 0.746 1055 K HN 0.664 nan 8.250 nan 0.000 0.461 1056 E N -1.110 118.920 120.200 -0.283 0.000 2.130 1056 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 1056 E C -0.135 176.601 176.600 0.226 0.000 0.998 1056 E CA 0.857 57.230 56.400 -0.044 0.000 0.806 1056 E CB -0.202 29.441 29.700 -0.094 0.000 0.738 1056 E HN 0.579 nan 8.360 nan 0.000 0.459 1057 F N 1.226 121.189 119.950 0.022 0.000 2.404 1057 F HA 0.235 4.762 4.527 -0.000 0.000 0.359 1057 F C 0.120 175.988 175.800 0.113 0.000 1.134 1057 F CA -0.941 57.153 58.000 0.156 0.000 1.160 1057 F CB -0.031 38.963 39.000 -0.011 0.000 1.186 1057 F HN -0.059 nan 8.300 nan 0.000 0.526 1058 N N 2.864 121.750 118.700 0.309 0.000 2.976 1058 N HA 0.359 5.099 4.740 -0.000 0.000 0.255 1058 N C -1.497 173.885 175.510 -0.213 0.000 1.312 1058 N CA -0.152 52.958 53.050 0.101 0.000 0.897 1058 N CB 0.330 38.919 38.487 0.170 0.000 1.184 1058 N HN 0.626 nan 8.380 nan 0.000 0.497 1059 C N 2.143 121.207 119.300 -0.393 0.000 2.498 1059 C HA 0.349 4.809 4.460 -0.000 0.000 0.316 1059 C C 1.635 176.561 174.990 -0.106 0.000 1.209 1059 C CA -0.537 58.191 59.018 -0.483 0.000 1.518 1059 C CB 0.637 27.744 27.740 -1.054 0.000 2.147 1059 C HN 0.885 nan 8.230 nan 0.000 0.483 1060 H N 1.558 120.587 119.070 -0.067 0.000 2.489 1060 H HA -0.048 4.508 4.556 -0.000 0.000 0.295 1060 H C 0.868 176.077 175.328 -0.199 0.000 1.082 1060 H CA 2.145 58.141 56.048 -0.088 0.000 1.295 1060 H CB 0.003 29.725 29.762 -0.065 0.000 1.380 1060 H HN 0.855 nan 8.280 nan 0.000 0.548 1061 H N -1.363 117.693 119.070 -0.024 0.000 2.487 1061 H HA 0.369 4.925 4.556 -0.000 0.000 0.290 1061 H C -0.712 174.608 175.328 -0.014 0.000 1.081 1061 H CA -0.039 55.995 56.048 -0.024 0.000 1.116 1061 H CB 0.521 30.336 29.762 0.088 0.000 1.560 1061 H HN 0.013 nan 8.280 nan 0.000 0.548 1062 V N 1.547 121.484 119.914 0.039 0.000 2.483 1062 V HA 0.148 4.268 4.120 -0.000 0.000 0.297 1062 V C -0.061 176.100 176.094 0.112 0.000 1.027 1062 V CA -1.159 61.223 62.300 0.137 0.000 0.855 1062 V CB 2.141 34.075 31.823 0.185 0.000 0.995 1062 V HN 0.037 nan 8.190 nan 0.000 0.424 1063 V N 4.951 124.938 119.914 0.121 0.000 2.681 1063 V HA 0.047 4.167 4.120 -0.000 0.000 0.306 1063 V C 0.632 176.802 176.094 0.127 0.000 1.077 1063 V CA 0.270 62.616 62.300 0.076 0.000 1.224 1063 V CB -0.140 31.714 31.823 0.051 0.000 0.879 1063 V HN 0.888 nan 8.190 nan 0.000 0.494 1064 R N 3.995 124.542 120.500 0.079 0.000 2.407 1064 R HA 0.570 4.910 4.340 -0.000 0.000 0.303 1064 R C -0.612 175.741 176.300 0.088 0.000 0.981 1064 R CA -0.829 55.327 56.100 0.095 0.000 0.905 1064 R CB 1.134 31.483 30.300 0.083 0.000 1.099 1064 R HN 0.775 nan 8.270 nan 0.000 0.459 1065 L N 5.920 127.190 121.223 0.079 0.000 2.319 1065 L HA 0.181 4.521 4.340 -0.000 0.000 0.280 1065 L C 0.218 177.186 176.870 0.162 0.000 1.099 1065 L CA -0.109 54.764 54.840 0.055 0.000 0.828 1065 L CB 0.724 42.727 42.059 -0.094 0.000 1.150 1065 L HN 0.827 nan 8.230 nan 0.000 0.442 1066 L N 5.063 126.373 121.223 0.144 0.000 2.554 1066 L HA 0.456 4.796 4.340 -0.000 0.000 0.225 1066 L C 0.833 177.833 176.870 0.217 0.000 1.104 1066 L CA 0.394 55.334 54.840 0.167 0.000 0.866 1066 L CB -0.174 41.944 42.059 0.099 0.000 1.047 1066 L HN 0.872 nan 8.230 nan 0.000 0.468 1067 G N -0.015 108.916 108.800 0.219 0.000 2.347 1067 G HA2 0.210 4.170 3.960 -0.000 0.000 0.321 1067 G HA3 0.210 4.170 3.960 -0.000 0.000 0.321 1067 G C -1.907 173.061 174.900 0.114 0.000 1.412 1067 G CA -0.131 45.114 45.100 0.242 0.000 0.990 1067 G HN -0.137 nan 8.290 nan 0.000 0.637 1068 V N -0.527 119.448 119.914 0.101 0.000 2.638 1068 V HA 0.777 4.897 4.120 -0.000 0.000 0.306 1068 V C -0.306 175.815 176.094 0.045 0.000 1.052 1068 V CA -0.814 61.509 62.300 0.039 0.000 0.885 1068 V CB 1.685 33.485 31.823 -0.039 0.000 0.999 1068 V HN 1.268 nan 8.190 nan 0.000 0.424 1069 V N 6.686 126.622 119.914 0.036 0.000 2.415 1069 V HA 0.304 4.424 4.120 -0.000 0.000 0.267 1069 V C 1.323 177.425 176.094 0.013 0.000 1.042 1069 V CA 0.894 63.209 62.300 0.025 0.000 1.000 1069 V CB 0.747 32.581 31.823 0.018 0.000 1.015 1069 V HN 1.170 nan 8.190 nan 0.000 0.478 1070 S N 3.124 118.826 115.700 0.004 0.000 2.540 1070 S HA 0.168 4.638 4.470 -0.000 0.000 0.222 1070 S C 0.451 175.033 174.600 -0.031 0.000 1.008 1070 S CA -0.458 57.732 58.200 -0.017 0.000 0.939 1070 S CB 0.265 63.451 63.200 -0.023 0.000 0.865 1070 S HN 0.737 nan 8.310 nan 0.000 0.499 1071 Q N 1.601 121.392 119.800 -0.016 0.000 2.466 1071 Q HA 0.680 5.020 4.340 -0.000 0.000 0.242 1071 Q C -0.055 175.940 176.000 -0.008 0.000 1.046 1071 Q CA -0.433 55.361 55.803 -0.015 0.000 0.841 1071 Q CB 1.161 29.898 28.738 -0.002 0.000 1.193 1071 Q HN 0.500 nan 8.270 nan 0.000 0.508 1072 G N 0.843 109.635 108.800 -0.012 0.000 2.321 1072 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.298 1072 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.298 1072 G C -0.251 174.643 174.900 -0.010 0.000 1.385 1072 G CA -0.547 44.548 45.100 -0.008 0.000 0.856 1072 G HN 0.306 nan 8.290 nan 0.000 0.584 1073 Q N -0.570 119.225 119.800 -0.008 0.000 2.008 1073 Q HA 0.043 4.383 4.340 -0.000 0.000 0.196 1073 Q C -1.284 174.710 176.000 -0.011 0.000 0.973 1073 Q CA 1.217 57.015 55.803 -0.008 0.000 0.826 1073 Q CB -0.426 28.308 28.738 -0.006 0.000 0.894 1073 Q HN 0.457 nan 8.270 nan 0.000 0.439 1074 P HA 0.127 nan 4.420 nan 0.000 0.288 1074 P C -1.016 176.282 177.300 -0.004 0.000 1.363 1074 P CA 0.174 63.265 63.100 -0.015 0.000 0.837 1074 P CB 0.855 32.536 31.700 -0.031 0.000 0.981 1075 T N 4.822 119.383 114.554 0.013 0.000 2.902 1075 T HA 0.175 4.525 4.350 -0.000 0.000 0.301 1075 T C 0.503 175.245 174.700 0.070 0.000 1.012 1075 T CA 0.274 62.400 62.100 0.044 0.000 1.151 1075 T CB 0.018 68.936 68.868 0.082 0.000 0.946 1075 T HN 0.231 nan 8.240 nan 0.000 0.542 1076 L N 3.439 124.701 121.223 0.065 0.000 2.329 1076 L HA 0.609 4.949 4.340 -0.000 0.000 0.279 1076 L C -0.412 176.522 176.870 0.106 0.000 1.014 1076 L CA -1.145 53.741 54.840 0.076 0.000 0.814 1076 L CB 1.744 43.824 42.059 0.035 0.000 1.257 1076 L HN 0.316 nan 8.230 nan 0.000 0.424 1077 V N 4.239 124.246 119.914 0.155 0.000 2.384 1077 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 1077 V C -0.092 176.061 176.094 0.098 0.000 1.020 1077 V CA -0.401 61.970 62.300 0.119 0.000 0.850 1077 V CB 1.940 33.868 31.823 0.175 0.000 0.987 1077 V HN 0.452 nan 8.190 nan 0.000 0.436 1078 I N 6.520 127.132 120.570 0.070 0.000 2.304 1078 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 1078 I C 0.219 176.376 176.117 0.066 0.000 1.018 1078 I CA 0.373 61.714 61.300 0.069 0.000 1.260 1078 I CB 0.952 38.991 38.000 0.064 0.000 1.390 1078 I HN 0.391 nan 8.210 nan 0.000 0.475 1079 M N 4.584 124.223 119.600 0.065 0.000 2.664 1079 M HA 0.334 4.814 4.480 -0.000 0.000 0.314 1079 M C 0.131 176.461 176.300 0.050 0.000 1.200 1079 M CA -0.737 54.599 55.300 0.059 0.000 0.916 1079 M CB 1.768 34.404 32.600 0.060 0.000 1.717 1079 M HN 0.578 nan 8.290 nan 0.000 0.470 1080 E N 2.290 122.518 120.200 0.046 0.000 2.465 1080 E HA 0.060 4.410 4.350 -0.000 0.000 0.260 1080 E C -1.231 175.378 176.600 0.016 0.000 0.980 1080 E CA -0.060 56.358 56.400 0.030 0.000 0.927 1080 E CB 0.716 30.429 29.700 0.022 0.000 0.934 1080 E HN 0.573 nan 8.360 nan 0.000 0.459 1081 L N 5.173 126.402 121.223 0.010 0.000 2.380 1081 L HA 0.143 4.483 4.340 -0.000 0.000 0.273 1081 L C -0.189 176.667 176.870 -0.024 0.000 1.138 1081 L CA -0.122 54.718 54.840 -0.000 0.000 0.832 1081 L CB 0.785 42.847 42.059 0.005 0.000 1.124 1081 L HN 0.786 nan 8.230 nan 0.000 0.454 1082 M N 4.558 124.138 119.600 -0.033 0.000 2.236 1082 M HA 0.110 4.590 4.480 -0.000 0.000 0.228 1082 M C 1.089 177.347 176.300 -0.070 0.000 0.906 1082 M CA -0.347 54.916 55.300 -0.061 0.000 0.761 1082 M CB 0.606 33.169 32.600 -0.062 0.000 1.439 1082 M HN 0.624 nan 8.290 nan 0.000 0.394 1083 T N -1.388 113.120 114.554 -0.077 0.000 2.969 1083 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 1083 T C 1.271 175.925 174.700 -0.076 0.000 1.127 1083 T CA 1.133 63.192 62.100 -0.069 0.000 1.102 1083 T CB -0.136 68.689 68.868 -0.071 0.000 0.855 1083 T HN 0.601 nan 8.240 nan 0.000 0.536 1084 R N 0.882 121.318 120.500 -0.107 0.000 2.432 1084 R HA 0.483 4.823 4.340 -0.000 0.000 0.260 1084 R C 1.472 177.767 176.300 -0.008 0.000 0.935 1084 R CA 0.089 56.147 56.100 -0.069 0.000 1.080 1084 R CB 0.283 30.484 30.300 -0.164 0.000 1.155 1084 R HN 0.506 nan 8.270 nan 0.000 0.531 1085 G N 2.503 111.284 108.800 -0.032 0.000 2.642 1085 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.231 1085 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.231 1085 G C -0.737 174.158 174.900 -0.009 0.000 1.338 1085 G CA -0.187 44.908 45.100 -0.010 0.000 0.883 1085 G HN 0.445 nan 8.290 nan 0.000 0.570 1086 D N -0.127 120.278 120.400 0.008 0.000 2.362 1086 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 1086 D C 1.605 177.937 176.300 0.053 0.000 1.132 1086 D CA -0.074 53.931 54.000 0.008 0.000 0.907 1086 D CB 1.460 42.262 40.800 0.003 0.000 1.195 1086 D HN 0.750 nan 8.370 nan 0.000 0.429 1087 L N 1.188 122.436 121.223 0.042 0.000 2.291 1087 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 1087 L C 2.155 179.115 176.870 0.151 0.000 1.120 1087 L CA 1.292 56.186 54.840 0.089 0.000 0.799 1087 L CB -0.573 41.512 42.059 0.044 0.000 0.925 1087 L HN 0.421 nan 8.230 nan 0.000 0.446 1088 K N -0.809 119.654 120.400 0.105 0.000 2.025 1088 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 1088 K C 2.070 178.732 176.600 0.103 0.000 1.049 1088 K CA 1.555 57.908 56.287 0.110 0.000 0.933 1088 K CB -0.103 32.449 32.500 0.087 0.000 0.714 1088 K HN 0.359 nan 8.250 nan 0.000 0.438 1089 S N 0.122 115.876 115.700 0.091 0.000 2.383 1089 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 1089 S C 1.676 176.328 174.600 0.087 0.000 1.026 1089 S CA 0.917 59.159 58.200 0.070 0.000 0.981 1089 S CB -0.388 62.843 63.200 0.051 0.000 0.818 1089 S HN 0.416 nan 8.310 nan 0.000 0.472 1090 Y N 2.274 122.584 120.300 0.016 0.000 2.165 1090 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 1090 Y C 1.825 177.747 175.900 0.037 0.000 1.155 1090 Y CA 1.384 59.501 58.100 0.027 0.000 1.164 1090 Y CB -0.333 38.146 38.460 0.031 0.000 0.978 1090 Y HN 0.154 nan 8.280 nan 0.000 0.513 1091 L N -0.228 121.091 121.223 0.161 0.000 2.046 1091 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 1091 L C 2.657 179.494 176.870 -0.055 0.000 1.077 1091 L CA 1.305 56.178 54.840 0.056 0.000 0.747 1091 L CB -0.508 41.615 42.059 0.108 0.000 0.896 1091 L HN 0.171 nan 8.230 nan 0.000 0.432 1092 R N -0.124 120.361 120.500 -0.026 0.000 2.115 1092 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 1092 R C 2.453 178.706 176.300 -0.078 0.000 1.111 1092 R CA 1.504 57.581 56.100 -0.038 0.000 0.976 1092 R CB -0.506 29.791 30.300 -0.005 0.000 0.870 1092 R HN 0.464 nan 8.270 nan 0.000 0.445 1093 S N 0.424 116.051 115.700 -0.122 0.000 2.507 1093 S HA -0.007 4.463 4.470 -0.000 0.000 0.235 1093 S C 1.769 176.261 174.600 -0.178 0.000 0.988 1093 S CA 0.577 58.690 58.200 -0.145 0.000 0.944 1093 S CB -0.187 62.915 63.200 -0.164 0.000 0.762 1093 S HN 0.256 nan 8.310 nan 0.000 0.526 1094 L N 0.646 121.745 121.223 -0.206 0.000 2.592 1094 L HA 0.254 4.594 4.340 -0.000 0.000 0.227 1094 L C 0.649 177.457 176.870 -0.104 0.000 1.127 1094 L CA -0.125 54.612 54.840 -0.172 0.000 0.884 1094 L CB -0.161 41.784 42.059 -0.189 0.000 1.065 1094 L HN 0.239 nan 8.230 nan 0.000 0.457 1095 R N 0.807 121.255 120.500 -0.086 0.000 2.410 1095 R HA 0.428 4.768 4.340 -0.000 0.000 0.288 1095 R C -1.996 174.272 176.300 -0.054 0.000 1.051 1095 R CA -1.649 54.413 56.100 -0.064 0.000 1.021 1095 R CB -0.278 29.990 30.300 -0.053 0.000 1.032 1095 R HN -0.099 nan 8.270 nan 0.000 0.481 1107 P HA 0.464 nan 4.420 nan 0.000 0.272 1107 P C -0.348 176.936 177.300 -0.026 0.000 1.223 1107 P CA -0.464 62.625 63.100 -0.019 0.000 0.784 1107 P CB 0.425 32.128 31.700 0.005 0.000 0.923 1108 S N 1.334 117.018 115.700 -0.027 0.000 2.584 1108 S HA 0.135 4.605 4.470 -0.000 0.000 0.273 1108 S C 1.222 175.808 174.600 -0.023 0.000 1.311 1108 S CA -0.854 57.330 58.200 -0.027 0.000 1.034 1108 S CB 0.509 63.691 63.200 -0.030 0.000 0.939 1108 S HN 0.510 nan 8.310 nan 0.000 0.513 1109 L N 1.977 123.187 121.223 -0.022 0.000 2.089 1109 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 1109 L C 2.706 179.565 176.870 -0.019 0.000 1.079 1109 L CA 2.171 57.001 54.840 -0.018 0.000 0.758 1109 L CB -0.842 41.208 42.059 -0.015 0.000 0.891 1109 L HN 0.999 nan 8.230 nan 0.000 0.433 1110 S N -0.882 114.806 115.700 -0.020 0.000 2.382 1110 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 1110 S C 1.938 176.524 174.600 -0.024 0.000 1.027 1110 S CA 1.059 59.245 58.200 -0.022 0.000 0.991 1110 S CB 0.033 63.220 63.200 -0.022 0.000 0.823 1110 S HN 0.344 nan 8.310 nan 0.000 0.469 1111 K N 0.934 121.321 120.400 -0.021 0.000 2.062 1111 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 1111 K C 2.143 178.743 176.600 -0.000 0.000 1.051 1111 K CA 1.159 57.437 56.287 -0.014 0.000 0.941 1111 K CB -0.619 31.873 32.500 -0.015 0.000 0.719 1111 K HN 0.494 nan 8.250 nan 0.000 0.440 1112 M N 0.548 120.146 119.600 -0.002 0.000 2.067 1112 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 1112 M C 2.025 178.322 176.300 -0.006 0.000 1.069 1112 M CA 1.282 56.582 55.300 0.000 0.000 1.117 1112 M CB -0.463 32.131 32.600 -0.010 0.000 1.334 1112 M HN -0.059 nan 8.290 nan 0.000 0.407 1113 I N 0.743 121.304 120.570 -0.015 0.000 2.248 1113 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 1113 I C 2.550 178.638 176.117 -0.047 0.000 1.107 1113 I CA 1.725 63.010 61.300 -0.025 0.000 1.373 1113 I CB -1.407 36.571 38.000 -0.036 0.000 1.055 1113 I HN 0.399 nan 8.210 nan 0.000 0.418 1114 Q N 0.688 120.463 119.800 -0.043 0.000 2.084 1114 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 1114 Q C 2.264 178.247 176.000 -0.029 0.000 0.978 1114 Q CA 1.773 57.542 55.803 -0.056 0.000 0.844 1114 Q CB -0.223 28.502 28.738 -0.021 0.000 0.898 1114 Q HN 0.466 nan 8.270 nan 0.000 0.426 1115 M N -0.721 118.883 119.600 0.007 0.000 2.059 1115 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 1115 M C 2.200 178.531 176.300 0.053 0.000 1.072 1115 M CA 1.652 56.972 55.300 0.033 0.000 1.117 1115 M CB -0.610 32.010 32.600 0.032 0.000 1.320 1115 M HN 0.306 nan 8.290 nan 0.000 0.408 1116 A N 0.606 123.459 122.820 0.055 0.000 1.958 1116 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 1116 A C 2.311 180.010 177.584 0.191 0.000 1.178 1116 A CA 2.262 54.398 52.037 0.165 0.000 0.642 1116 A CB -1.667 17.416 19.000 0.140 0.000 0.816 1116 A HN 0.627 nan 8.150 nan 0.000 0.453 1117 G N -1.063 107.735 108.800 -0.002 0.000 2.403 1117 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.216 1117 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.216 1117 G C 1.444 176.256 174.900 -0.147 0.000 1.154 1117 G CA 0.817 45.828 45.100 -0.148 0.000 0.784 1117 G HN 0.656 nan 8.290 nan 0.000 0.538 1118 E N -0.047 120.103 120.200 -0.085 0.000 2.107 1118 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 1118 E C 2.445 179.084 176.600 0.065 0.000 0.982 1118 E CA 0.312 56.711 56.400 -0.002 0.000 0.809 1118 E CB -0.048 29.828 29.700 0.294 0.000 0.756 1118 E HN 0.429 nan 8.360 nan 0.000 0.459 1119 I N 1.229 121.865 120.570 0.109 0.000 2.202 1119 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 1119 I C 2.524 178.647 176.117 0.009 0.000 1.091 1119 I CA 0.992 62.367 61.300 0.125 0.000 1.368 1119 I CB -0.205 37.933 38.000 0.231 0.000 1.058 1119 I HN 0.062 nan 8.210 nan 0.000 0.410 1120 A N 0.009 122.827 122.820 -0.004 0.000 1.972 1120 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 1120 A C 1.926 179.370 177.584 -0.233 0.000 1.169 1120 A CA 2.255 54.087 52.037 -0.342 0.000 0.635 1120 A CB -0.665 18.159 19.000 -0.292 0.000 0.810 1120 A HN 0.493 nan 8.150 nan 0.000 0.446 1121 D N -0.686 119.669 120.400 -0.074 0.000 2.097 1121 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 1121 D C 2.000 178.325 176.300 0.041 0.000 0.984 1121 D CA 1.645 55.672 54.000 0.045 0.000 0.826 1121 D CB -0.453 40.358 40.800 0.018 0.000 0.973 1121 D HN 0.264 nan 8.370 nan 0.000 0.460 1122 G N 0.051 108.859 108.800 0.013 0.000 2.422 1122 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 1122 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 1122 G C 1.563 176.430 174.900 -0.054 0.000 1.146 1122 G CA 0.722 45.852 45.100 0.050 0.000 0.769 1122 G HN 0.171 nan 8.290 nan 0.000 0.547 1123 M N 1.188 120.638 119.600 -0.251 0.000 2.086 1123 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 1123 M C 3.069 179.191 176.300 -0.298 0.000 1.067 1123 M CA 1.310 56.332 55.300 -0.463 0.000 1.116 1123 M CB -1.301 30.502 32.600 -1.329 0.000 1.348 1123 M HN 0.319 nan 8.290 nan 0.000 0.407 1124 A N -0.606 122.092 122.820 -0.204 0.000 1.892 1124 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 1124 A C 2.152 179.639 177.584 -0.163 0.000 1.188 1124 A CA 1.885 53.990 52.037 0.113 0.000 0.631 1124 A CB -1.373 17.821 19.000 0.323 0.000 0.822 1124 A HN 0.547 nan 8.150 nan 0.000 0.447 1125 Y N 0.154 120.107 120.300 -0.578 0.000 2.165 1125 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 1125 Y C 2.086 177.629 175.900 -0.595 0.000 1.155 1125 Y CA 1.671 59.130 58.100 -1.068 0.000 1.164 1125 Y CB -0.176 37.825 38.460 -0.767 0.000 0.978 1125 Y HN 0.213 nan 8.280 nan 0.000 0.513 1126 L N 0.632 121.630 121.223 -0.375 0.000 1.970 1126 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 1126 L C 1.804 178.569 176.870 -0.174 0.000 1.071 1126 L CA 2.428 57.052 54.840 -0.360 0.000 0.751 1126 L CB -1.028 40.941 42.059 -0.152 0.000 0.889 1126 L HN 0.470 nan 8.230 nan 0.000 0.432 1127 N N -0.508 118.164 118.700 -0.048 0.000 2.381 1127 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 1127 N C 1.751 177.243 175.510 -0.031 0.000 1.025 1127 N CA 0.816 53.887 53.050 0.035 0.000 0.888 1127 N CB 0.122 38.709 38.487 0.168 0.000 0.965 1127 N HN 0.326 nan 8.380 nan 0.000 0.438 1128 A N 1.923 124.673 122.820 -0.116 0.000 1.898 1128 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 1128 A C 1.760 179.258 177.584 -0.143 0.000 1.181 1128 A CA 0.974 52.952 52.037 -0.099 0.000 0.620 1128 A CB -0.254 18.675 19.000 -0.118 0.000 0.819 1128 A HN 0.274 nan 8.150 nan 0.000 0.442 1129 N N 0.189 118.748 118.700 -0.236 0.000 2.434 1129 N HA -0.004 4.736 4.740 -0.000 0.000 0.196 1129 N C -0.682 174.735 175.510 -0.156 0.000 1.183 1129 N CA 0.162 53.131 53.050 -0.135 0.000 0.849 1129 N CB 0.121 38.559 38.487 -0.082 0.000 0.992 1129 N HN 0.165 nan 8.380 nan 0.000 0.460 1130 K N 0.388 120.690 120.400 -0.164 0.000 3.585 1130 K HA -0.166 4.154 4.320 -0.000 0.000 0.275 1130 K C -1.261 175.076 176.600 -0.437 0.000 1.026 1130 K CA 0.821 56.963 56.287 -0.240 0.000 0.800 1130 K CB -1.825 30.521 32.500 -0.257 0.000 1.401 1130 K HN 0.154 nan 8.250 nan 0.000 0.453 1131 F N -0.877 119.035 119.950 -0.062 0.000 2.565 1131 F HA 0.413 4.940 4.527 -0.000 0.000 0.313 1131 F C 0.408 176.217 175.800 0.016 0.000 1.091 1131 F CA -0.958 57.025 58.000 -0.028 0.000 0.915 1131 F CB 1.819 40.783 39.000 -0.060 0.000 1.208 1131 F HN -0.180 nan 8.300 nan 0.000 0.453 1132 V N 3.512 123.583 119.914 0.261 0.000 2.398 1132 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 1132 V C 0.902 177.153 176.094 0.262 0.000 1.026 1132 V CA -0.501 61.943 62.300 0.240 0.000 0.868 1132 V CB 1.239 33.177 31.823 0.192 0.000 0.982 1132 V HN 0.854 nan 8.190 nan 0.000 0.443 1133 H N 4.695 123.898 119.070 0.222 0.000 2.357 1133 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 1133 H C 1.734 177.155 175.328 0.155 0.000 1.082 1133 H CA 2.020 58.198 56.048 0.217 0.000 1.342 1133 H CB 0.363 30.259 29.762 0.223 0.000 1.389 1133 H HN 0.727 nan 8.280 nan 0.000 0.511 1134 R N -1.107 119.617 120.500 0.373 0.000 4.021 1134 R HA -0.211 4.129 4.340 -0.000 0.000 0.448 1134 R C 0.184 176.668 176.300 0.308 0.000 0.916 1134 R CA 1.596 57.855 56.100 0.264 0.000 1.618 1134 R CB -1.260 28.946 30.300 -0.156 0.000 2.271 1134 R HN 0.318 nan 8.270 nan 0.000 0.507 1135 D N -0.105 120.567 120.400 0.454 0.000 2.563 1135 D HA 0.137 4.777 4.640 -0.000 0.000 0.237 1135 D C -0.613 175.782 176.300 0.159 0.000 1.282 1135 D CA -0.362 53.816 54.000 0.298 0.000 0.816 1135 D CB 0.378 41.322 40.800 0.240 0.000 1.066 1135 D HN 0.019 nan 8.370 nan 0.000 0.501 1136 L N 1.583 122.843 121.223 0.063 0.000 2.513 1136 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 1136 L C -0.332 176.526 176.870 -0.020 0.000 1.187 1136 L CA 0.376 55.092 54.840 -0.207 0.000 0.895 1136 L CB 0.233 42.242 42.059 -0.084 0.000 1.147 1136 L HN 0.104 nan 8.230 nan 0.000 0.483 1137 A N 3.823 126.581 122.820 -0.105 0.000 2.586 1137 A HA 0.666 4.986 4.320 -0.000 0.000 0.291 1137 A C 0.495 178.078 177.584 -0.002 0.000 1.062 1137 A CA -0.184 51.806 52.037 -0.077 0.000 0.666 1137 A CB 0.112 18.671 19.000 -0.735 0.000 1.281 1137 A HN 1.116 nan 8.150 nan 0.000 0.421 1138 A N 0.715 123.616 122.820 0.134 0.000 1.917 1138 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 1138 A C 1.996 179.596 177.584 0.027 0.000 1.182 1138 A CA 2.364 54.463 52.037 0.103 0.000 0.633 1138 A CB -0.690 18.413 19.000 0.173 0.000 0.819 1138 A HN 1.286 nan 8.150 nan 0.000 0.448 1139 R N -0.734 119.753 120.500 -0.022 0.000 2.193 1139 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 1139 R C 0.870 177.131 176.300 -0.066 0.000 1.110 1139 R CA 1.733 57.803 56.100 -0.050 0.000 0.988 1139 R CB -0.465 29.771 30.300 -0.106 0.000 0.871 1139 R HN 0.427 nan 8.270 nan 0.000 0.458 1140 N N 0.002 118.652 118.700 -0.083 0.000 2.353 1140 N HA 0.061 4.801 4.740 -0.000 0.000 0.185 1140 N C -0.330 175.132 175.510 -0.080 0.000 1.098 1140 N CA 0.206 53.206 53.050 -0.085 0.000 0.872 1140 N CB 0.340 38.783 38.487 -0.072 0.000 0.970 1140 N HN 0.176 nan 8.380 nan 0.000 0.467 1141 C N 1.537 120.805 119.300 -0.053 0.000 2.364 1141 C HA 0.533 4.993 4.460 -0.000 0.000 0.356 1141 C C 0.549 175.514 174.990 -0.042 0.000 1.201 1141 C CA -0.819 58.174 59.018 -0.042 0.000 2.227 1141 C CB 0.792 28.522 27.740 -0.016 0.000 2.387 1141 C HN 0.190 nan 8.230 nan 0.000 0.546 1142 M N 1.713 121.282 119.600 -0.052 0.000 2.705 1142 M HA 0.604 5.084 4.480 -0.000 0.000 0.311 1142 M C -0.775 175.465 176.300 -0.100 0.000 1.214 1142 M CA -0.632 54.629 55.300 -0.065 0.000 0.920 1142 M CB 1.467 34.030 32.600 -0.061 0.000 1.687 1142 M HN 0.354 nan 8.290 nan 0.000 0.481 1143 V N 1.023 120.853 119.914 -0.140 0.000 2.443 1143 V HA 0.637 4.757 4.120 -0.000 0.000 0.293 1143 V C 0.247 176.206 176.094 -0.225 0.000 1.021 1143 V CA -1.118 61.044 62.300 -0.231 0.000 0.848 1143 V CB 1.047 32.619 31.823 -0.418 0.000 0.998 1143 V HN 1.019 nan 8.190 nan 0.000 0.424 1144 A N 2.793 125.493 122.820 -0.199 0.000 2.310 1144 A HA 0.461 4.781 4.320 -0.000 0.000 0.260 1144 A C 1.387 178.821 177.584 -0.251 0.000 1.112 1144 A CA 0.373 52.306 52.037 -0.174 0.000 0.804 1144 A CB 0.237 19.161 19.000 -0.126 0.000 1.081 1144 A HN 0.979 nan 8.150 nan 0.000 0.499 1145 E N 0.163 120.251 120.200 -0.186 0.000 2.065 1145 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 1145 E C 0.949 177.391 176.600 -0.262 0.000 1.016 1145 E CA 2.235 58.508 56.400 -0.210 0.000 0.818 1145 E CB -0.208 29.438 29.700 -0.091 0.000 0.749 1145 E HN 0.764 nan 8.360 nan 0.000 0.453 1146 D N -1.402 118.949 120.400 -0.082 0.000 2.344 1146 D HA -0.075 4.565 4.640 -0.000 0.000 0.242 1146 D C -0.036 176.418 176.300 0.257 0.000 1.159 1146 D CA 0.009 54.080 54.000 0.117 0.000 0.859 1146 D CB -0.654 40.220 40.800 0.122 0.000 0.925 1146 D HN 0.403 nan 8.370 nan 0.000 0.510 1147 F N -1.880 118.041 119.950 -0.047 0.000 2.748 1147 F HA -0.272 4.255 4.527 -0.000 0.000 0.370 1147 F C 0.647 176.382 175.800 -0.108 0.000 0.620 1147 F CA 0.899 58.835 58.000 -0.108 0.000 1.233 1147 F CB -2.387 36.580 39.000 -0.055 0.000 1.708 1147 F HN -0.073 nan 8.300 nan 0.000 0.298 1148 T N 2.494 117.081 114.554 0.055 0.000 2.871 1148 T HA 0.373 4.723 4.350 -0.000 0.000 0.296 1148 T C 0.529 175.202 174.700 -0.044 0.000 0.998 1148 T CA 0.013 62.127 62.100 0.024 0.000 1.162 1148 T CB 0.813 69.671 68.868 -0.017 0.000 0.947 1148 T HN 0.084 nan 8.240 nan 0.000 0.536 1149 V N 4.940 124.857 119.914 0.005 0.000 2.716 1149 V HA 0.564 4.684 4.120 -0.000 0.000 0.304 1149 V C 0.257 176.365 176.094 0.023 0.000 1.053 1149 V CA -0.621 61.672 62.300 -0.013 0.000 0.984 1149 V CB 1.562 33.390 31.823 0.008 0.000 1.021 1149 V HN 0.780 nan 8.190 nan 0.000 0.467 1150 K N 2.511 122.909 120.400 -0.004 0.000 2.536 1150 K HA 0.583 4.903 4.320 -0.000 0.000 0.269 1150 K C -1.685 174.929 176.600 0.023 0.000 0.965 1150 K CA -0.958 55.339 56.287 0.017 0.000 0.860 1150 K CB 2.245 34.713 32.500 -0.053 0.000 1.423 1150 K HN 0.288 nan 8.250 nan 0.000 0.438 1151 I N 1.257 121.866 120.570 0.066 0.000 2.472 1151 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 1151 I C 1.112 177.214 176.117 -0.026 0.000 1.016 1151 I CA 0.201 61.527 61.300 0.044 0.000 1.348 1151 I CB 0.804 38.900 38.000 0.160 0.000 1.417 1151 I HN 1.040 nan 8.210 nan 0.000 0.521 1152 G N 3.805 112.458 108.800 -0.246 0.000 2.535 1152 G HA2 0.008 3.968 3.960 -0.000 0.000 0.191 1152 G HA3 0.008 3.968 3.960 -0.000 0.000 0.191 1152 G C -0.199 174.373 174.900 -0.547 0.000 1.242 1152 G CA 0.074 44.995 45.100 -0.297 0.000 0.797 1152 G HN 0.507 nan 8.290 nan 0.000 0.863 1153 D N -0.242 119.774 120.400 -0.640 0.000 2.481 1153 D HA 0.492 5.132 4.640 -0.000 0.000 0.246 1153 D C -0.460 175.457 176.300 -0.639 0.000 1.109 1153 D CA -0.881 52.821 54.000 -0.497 0.000 0.845 1153 D CB 1.104 41.790 40.800 -0.190 0.000 1.160 1153 D HN 0.065 nan 8.370 nan 0.000 0.534 1154 F N 1.140 121.040 119.950 -0.083 0.000 2.688 1154 F HA 0.279 4.806 4.527 -0.000 0.000 0.310 1154 F C 2.250 177.967 175.800 -0.138 0.000 1.098 1154 F CA -0.631 57.253 58.000 -0.193 0.000 1.228 1154 F CB 0.968 39.900 39.000 -0.114 0.000 1.042 1154 F HN 0.515 nan 8.300 nan 0.000 0.557 1155 G N 0.565 109.386 108.800 0.035 0.000 2.517 1155 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.222 1155 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.222 1155 G C 1.427 176.335 174.900 0.014 0.000 1.109 1155 G CA 1.059 46.187 45.100 0.047 0.000 0.746 1155 G HN 0.300 nan 8.290 nan 0.000 0.576 1156 M N 0.795 120.378 119.600 -0.028 0.000 2.313 1156 M HA 0.239 4.719 4.480 -0.000 0.000 0.273 1156 M C 1.304 177.572 176.300 -0.053 0.000 1.049 1156 M CA 0.099 55.370 55.300 -0.048 0.000 1.004 1156 M CB 0.639 33.206 32.600 -0.055 0.000 1.461 1156 M HN 0.126 nan 8.290 nan 0.000 0.514 1157 T N 0.358 114.895 114.554 -0.029 0.000 2.899 1157 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 1157 T C 0.028 174.789 174.700 0.101 0.000 1.033 1157 T CA -0.507 61.611 62.100 0.029 0.000 1.084 1157 T CB 0.870 69.762 68.868 0.041 0.000 0.979 1157 T HN 0.135 nan 8.240 nan 0.000 0.532 1158 R N 2.039 122.645 120.500 0.177 0.000 2.686 1158 R HA 0.393 4.733 4.340 -0.000 0.000 0.283 1158 R C -0.787 175.651 176.300 0.230 0.000 0.978 1158 R CA -0.874 55.328 56.100 0.171 0.000 0.897 1158 R CB 1.514 31.846 30.300 0.053 0.000 1.192 1158 R HN 0.847 nan 8.270 nan 0.000 0.457 1159 D N 2.753 123.232 120.400 0.131 0.000 2.443 1159 D HA 0.223 4.863 4.640 -0.000 0.000 0.239 1159 D C 0.302 176.504 176.300 -0.165 0.000 1.136 1159 D CA 0.315 54.186 54.000 -0.215 0.000 0.879 1159 D CB 0.724 41.419 40.800 -0.175 0.000 1.195 1159 D HN 0.473 nan 8.370 nan 0.000 0.443 1163 T N 0.127 114.659 114.554 -0.037 0.000 9.821 1163 T HA -0.157 4.193 4.350 -0.000 0.000 0.335 1163 T C 0.104 174.780 174.700 -0.040 0.000 1.948 1163 T CA 0.391 62.472 62.100 -0.031 0.000 3.270 1163 T CB -1.055 67.797 68.868 -0.027 0.000 1.812 1163 T HN 0.753 nan 8.240 nan 0.000 0.446 1168 K N 2.107 122.618 120.400 0.184 0.000 2.339 1168 K HA 0.225 4.545 4.320 -0.000 0.000 0.286 1168 K C 0.717 177.367 176.600 0.083 0.000 1.050 1168 K CA 0.568 56.931 56.287 0.126 0.000 0.956 1168 K CB 1.334 33.942 32.500 0.180 0.000 0.990 1168 K HN 0.807 nan 8.250 nan 0.000 0.475 1169 G N 2.759 111.592 108.800 0.054 0.000 2.456 1169 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.213 1169 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.213 1169 G C 0.755 175.677 174.900 0.037 0.000 1.215 1169 G CA 0.786 45.910 45.100 0.040 0.000 0.805 1169 G HN 0.660 nan 8.290 nan 0.000 0.537 1170 G N -0.491 108.329 108.800 0.034 0.000 3.075 1170 G HA2 0.431 4.391 3.960 -0.000 0.000 0.156 1170 G HA3 0.431 4.391 3.960 -0.000 0.000 0.156 1170 G C -0.281 174.639 174.900 0.034 0.000 1.403 1170 G CA -0.477 44.641 45.100 0.029 0.000 1.033 1170 G HN 0.141 nan 8.290 nan 0.000 0.589 1171 K N 0.404 120.821 120.400 0.029 0.000 2.295 1171 K HA 0.430 4.750 4.320 -0.000 0.000 0.270 1171 K C 0.057 176.679 176.600 0.036 0.000 1.011 1171 K CA 0.103 56.409 56.287 0.031 0.000 0.953 1171 K CB 0.960 33.475 32.500 0.024 0.000 0.956 1171 K HN 0.491 nan 8.250 nan 0.000 0.477 1172 G N 1.547 110.375 108.800 0.047 0.000 2.519 1172 G HA2 0.539 4.499 3.960 -0.000 0.000 0.307 1172 G HA3 0.539 4.499 3.960 -0.000 0.000 0.307 1172 G C -0.083 174.846 174.900 0.049 0.000 1.266 1172 G CA -0.616 44.514 45.100 0.050 0.000 0.970 1172 G HN 0.512 nan 8.290 nan 0.000 0.481 1173 L N 1.077 122.323 121.223 0.037 0.000 3.122 1173 L HA 0.325 4.665 4.340 -0.000 0.000 0.274 1173 L C 0.384 177.280 176.870 0.044 0.000 1.222 1173 L CA -0.185 54.676 54.840 0.035 0.000 1.028 1173 L CB 0.093 42.160 42.059 0.015 0.000 1.386 1173 L HN 0.208 nan 8.230 nan 0.000 0.578 1174 L N 3.185 124.448 121.223 0.066 0.000 2.490 1174 L HA 0.125 4.465 4.340 -0.000 0.000 0.274 1174 L C -1.541 175.403 176.870 0.123 0.000 1.201 1174 L CA -1.461 53.432 54.840 0.090 0.000 0.869 1174 L CB 0.062 42.208 42.059 0.144 0.000 1.123 1174 L HN -0.056 nan 8.230 nan 0.000 0.484 1175 P HA -0.044 nan 4.420 nan 0.000 0.266 1175 P C 0.796 178.294 177.300 0.330 0.000 1.215 1175 P CA -0.140 63.084 63.100 0.207 0.000 0.763 1175 P CB 0.994 32.789 31.700 0.158 0.000 0.806 1176 V N 2.577 122.646 119.914 0.258 0.000 2.913 1176 V HA -0.164 3.956 4.120 -0.000 0.000 0.260 1176 V C 2.135 178.375 176.094 0.244 0.000 1.098 1176 V CA 1.121 63.543 62.300 0.204 0.000 1.121 1176 V CB -1.177 30.705 31.823 0.098 0.000 0.714 1176 V HN 0.323 nan 8.190 nan 0.000 0.487 1177 R N -0.831 119.885 120.500 0.361 0.000 2.189 1177 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 1177 R C 1.839 178.235 176.300 0.160 0.000 1.092 1177 R CA 1.925 58.151 56.100 0.211 0.000 0.989 1177 R CB -0.181 30.111 30.300 -0.013 0.000 0.876 1177 R HN 0.688 nan 8.270 nan 0.000 0.457 1178 W N -0.517 120.936 121.300 0.255 0.000 3.220 1178 W HA 0.261 4.921 4.660 -0.000 0.000 0.328 1178 W C 0.022 176.758 176.519 0.363 0.000 1.205 1178 W CA -0.558 56.983 57.345 0.327 0.000 1.773 1178 W CB 0.266 29.886 29.460 0.266 0.000 1.086 1178 W HN 0.017 nan 8.180 nan 0.000 0.622 1179 M N 1.198 121.040 119.600 0.404 0.000 2.235 1179 M HA 0.068 4.548 4.480 -0.000 0.000 0.351 1179 M C 1.153 177.295 176.300 -0.264 0.000 1.178 1179 M CA 0.210 55.596 55.300 0.144 0.000 1.143 1179 M CB 1.301 33.957 32.600 0.094 0.000 1.530 1179 M HN -0.247 nan 8.290 nan 0.000 0.461 1180 S N 2.993 118.329 115.700 -0.607 0.000 2.596 1180 S HA 0.252 4.722 4.470 -0.000 0.000 0.260 1180 S C -2.142 171.896 174.600 -0.937 0.000 1.336 1180 S CA -1.075 56.327 58.200 -1.331 0.000 0.993 1180 S CB 0.313 62.970 63.200 -0.905 0.000 0.923 1180 S HN 0.455 nan 8.310 nan 0.000 0.567 1181 P HA -0.117 nan 4.420 nan 0.000 0.216 1181 P C 1.648 178.650 177.300 -0.498 0.000 1.153 1181 P CA 1.298 63.999 63.100 -0.666 0.000 0.848 1181 P CB -0.108 31.101 31.700 -0.818 0.000 0.787 1182 E N -0.242 119.642 120.200 -0.527 0.000 2.152 1182 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 1182 E C 1.618 178.006 176.600 -0.354 0.000 0.983 1182 E CA 1.388 57.571 56.400 -0.362 0.000 0.818 1182 E CB -1.086 28.437 29.700 -0.295 0.000 0.758 1182 E HN 0.140 nan 8.360 nan 0.000 0.467 1183 S N 1.600 117.017 115.700 -0.472 0.000 2.368 1183 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 1183 S C 2.186 176.572 174.600 -0.358 0.000 1.029 1183 S CA 0.929 58.771 58.200 -0.597 0.000 0.988 1183 S CB -0.305 62.394 63.200 -0.836 0.000 0.838 1183 S HN 0.207 nan 8.310 nan 0.000 0.462 1184 L N 1.185 122.239 121.223 -0.281 0.000 2.083 1184 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 1184 L C 2.552 179.344 176.870 -0.130 0.000 1.083 1184 L CA 1.316 56.059 54.840 -0.163 0.000 0.752 1184 L CB -0.422 41.541 42.059 -0.161 0.000 0.899 1184 L HN 0.296 nan 8.230 nan 0.000 0.433 1185 K N -0.305 120.000 120.400 -0.159 0.000 2.062 1185 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 1185 K C 0.576 177.126 176.600 -0.082 0.000 1.051 1185 K CA 1.598 57.821 56.287 -0.106 0.000 0.941 1185 K CB 0.307 32.745 32.500 -0.104 0.000 0.719 1185 K HN 0.173 nan 8.250 nan 0.000 0.440 1186 D N -1.909 118.428 120.400 -0.105 0.000 2.538 1186 D HA 0.170 4.810 4.640 -0.000 0.000 0.241 1186 D C -0.118 176.148 176.300 -0.055 0.000 1.297 1186 D CA 0.547 54.507 54.000 -0.067 0.000 0.804 1186 D CB 1.252 42.015 40.800 -0.062 0.000 1.122 1186 D HN 0.325 nan 8.370 nan 0.000 0.519 1187 G N 1.077 109.824 108.800 -0.088 0.000 2.249 1187 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.273 1187 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.273 1187 G C 0.173 175.080 174.900 0.012 0.000 1.036 1187 G CA 0.363 45.466 45.100 0.004 0.000 0.824 1187 G HN 0.293 nan 8.290 nan 0.000 0.504 1188 V N 0.053 119.830 119.914 -0.228 0.000 2.427 1188 V HA 0.788 4.908 4.120 -0.000 0.000 0.286 1188 V C -0.138 175.729 176.094 -0.378 0.000 1.034 1188 V CA -0.575 61.646 62.300 -0.132 0.000 0.893 1188 V CB 1.368 33.129 31.823 -0.102 0.000 0.982 1188 V HN 0.240 nan 8.190 nan 0.000 0.452 1189 F N 2.641 122.588 119.950 -0.004 0.000 2.529 1189 F HA 0.748 5.275 4.527 -0.000 0.000 0.320 1189 F C 0.423 176.212 175.800 -0.020 0.000 1.118 1189 F CA -0.432 57.575 58.000 0.011 0.000 0.915 1189 F CB 2.398 41.425 39.000 0.044 0.000 1.161 1189 F HN 0.573 nan 8.300 nan 0.000 0.445 1190 T N -3.401 111.211 114.554 0.097 0.000 2.812 1190 T HA 0.262 4.612 4.350 -0.000 0.000 0.294 1190 T C 0.769 175.446 174.700 -0.038 0.000 1.159 1190 T CA -0.095 61.956 62.100 -0.081 0.000 1.008 1190 T CB 1.321 69.988 68.868 -0.334 0.000 1.289 1190 T HN 0.625 nan 8.240 nan 0.000 0.514 1191 T N -1.186 113.268 114.554 -0.167 0.000 2.977 1191 T HA -0.126 4.224 4.350 -0.000 0.000 0.271 1191 T C 1.178 175.918 174.700 0.067 0.000 1.105 1191 T CA 1.063 63.163 62.100 0.000 0.000 1.116 1191 T CB -0.844 68.011 68.868 -0.021 0.000 0.878 1191 T HN 0.586 nan 8.240 nan 0.000 0.509 1192 Y N 2.787 123.110 120.300 0.039 0.000 2.200 1192 Y HA 0.017 4.567 4.550 -0.000 0.000 0.290 1192 Y C 3.226 179.183 175.900 0.096 0.000 1.137 1192 Y CA 0.433 58.544 58.100 0.018 0.000 1.163 1192 Y CB -1.278 37.185 38.460 0.005 0.000 0.988 1192 Y HN 0.471 nan 8.280 nan 0.000 0.518 1193 S N -0.273 115.575 115.700 0.245 0.000 2.368 1193 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 1193 S C 1.619 176.448 174.600 0.381 0.000 1.030 1193 S CA 1.337 59.678 58.200 0.236 0.000 0.999 1193 S CB -0.571 62.670 63.200 0.069 0.000 0.844 1193 S HN 0.318 nan 8.310 nan 0.000 0.459 1194 D N 1.711 122.338 120.400 0.378 0.000 2.116 1194 D HA -0.082 4.558 4.640 -0.000 0.000 0.193 1194 D C 2.108 178.742 176.300 0.557 0.000 0.998 1194 D CA 1.153 55.445 54.000 0.486 0.000 0.836 1194 D CB -0.751 40.366 40.800 0.528 0.000 0.951 1194 D HN 0.294 nan 8.370 nan 0.000 0.449 1195 V N 0.999 121.093 119.914 0.301 0.000 2.282 1195 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 1195 V C 2.180 178.518 176.094 0.405 0.000 1.057 1195 V CA 1.713 64.083 62.300 0.117 0.000 1.032 1195 V CB -0.517 31.193 31.823 -0.189 0.000 0.645 1195 V HN 0.421 nan 8.190 nan 0.000 0.447 1196 W N 0.895 122.350 121.300 0.258 0.000 2.318 1196 W HA -0.235 4.425 4.660 -0.000 0.000 0.313 1196 W C 2.538 179.338 176.519 0.468 0.000 1.221 1196 W CA 2.274 59.834 57.345 0.358 0.000 1.266 1196 W CB -0.717 28.920 29.460 0.295 0.000 1.150 1196 W HN 0.321 nan 8.180 nan 0.000 0.496 1197 S N 0.782 116.956 115.700 0.791 0.000 2.370 1197 S HA -0.250 4.220 4.470 -0.000 0.000 0.226 1197 S C 1.583 176.507 174.600 0.539 0.000 1.033 1197 S CA 1.693 60.309 58.200 0.693 0.000 1.011 1197 S CB -1.122 62.450 63.200 0.620 0.000 0.852 1197 S HN 0.350 nan 8.310 nan 0.000 0.457 1198 F N 2.540 122.724 119.950 0.390 0.000 2.154 1198 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 1198 F C 2.212 178.117 175.800 0.174 0.000 1.087 1198 F CA 1.326 59.507 58.000 0.302 0.000 1.274 1198 F CB -0.906 38.355 39.000 0.435 0.000 1.009 1198 F HN 0.226 nan 8.300 nan 0.000 0.485 1199 G N -0.164 108.725 108.800 0.150 0.000 2.440 1199 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 1199 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 1199 G C 1.658 176.606 174.900 0.080 0.000 1.154 1199 G CA 1.301 46.240 45.100 -0.269 0.000 0.767 1199 G HN 0.356 nan 8.290 nan 0.000 0.552 1200 V N 1.199 121.319 119.914 0.344 0.000 2.548 1200 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 1200 V C 3.099 179.341 176.094 0.247 0.000 1.055 1200 V CA 1.473 63.937 62.300 0.272 0.000 1.065 1200 V CB -0.050 31.740 31.823 -0.055 0.000 0.681 1200 V HN 0.418 nan 8.190 nan 0.000 0.462 1201 V N -1.330 118.699 119.914 0.191 0.000 2.427 1201 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 1201 V C 2.184 178.288 176.094 0.017 0.000 1.051 1201 V CA 1.698 64.084 62.300 0.143 0.000 1.048 1201 V CB -0.730 31.122 31.823 0.048 0.000 0.666 1201 V HN 0.431 nan 8.190 nan 0.000 0.456 1202 L N -1.319 119.805 121.223 -0.165 0.000 1.990 1202 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 1202 L C 2.506 179.405 176.870 0.048 0.000 1.072 1202 L CA 2.694 57.442 54.840 -0.153 0.000 0.755 1202 L CB -0.768 41.136 42.059 -0.259 0.000 0.889 1202 L HN 0.580 nan 8.230 nan 0.000 0.432 1203 W N 1.164 122.455 121.300 -0.015 0.000 2.364 1203 W HA -0.201 4.459 4.660 -0.000 0.000 0.281 1203 W C 2.373 178.902 176.519 0.016 0.000 1.219 1203 W CA 1.579 58.962 57.345 0.064 0.000 1.220 1203 W CB 0.074 29.641 29.460 0.179 0.000 1.127 1203 W HN 0.138 nan 8.180 nan 0.000 0.556 1204 E N -0.149 120.229 120.200 0.295 0.000 2.107 1204 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 1204 E C 2.105 178.715 176.600 0.017 0.000 0.982 1204 E CA 1.534 58.045 56.400 0.184 0.000 0.809 1204 E CB -0.343 29.533 29.700 0.294 0.000 0.756 1204 E HN 0.342 nan 8.360 nan 0.000 0.459 1205 I N 0.862 121.441 120.570 0.015 0.000 2.394 1205 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 1205 I C 2.479 178.551 176.117 -0.075 0.000 1.136 1205 I CA 0.806 62.101 61.300 -0.010 0.000 1.425 1205 I CB -0.422 37.574 38.000 -0.007 0.000 1.079 1205 I HN 0.058 nan 8.210 nan 0.000 0.425 1206 A N 0.928 123.662 122.820 -0.143 0.000 1.929 1206 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 1206 A C 2.076 179.486 177.584 -0.290 0.000 1.176 1206 A CA 1.850 53.766 52.037 -0.201 0.000 0.628 1206 A CB -0.782 18.085 19.000 -0.220 0.000 0.816 1206 A HN 0.498 nan 8.150 nan 0.000 0.444 1207 T N -2.576 111.721 114.554 -0.429 0.000 3.251 1207 T HA 0.476 4.826 4.350 -0.000 0.000 0.259 1207 T C 0.324 174.876 174.700 -0.248 0.000 0.998 1207 T CA -0.256 61.571 62.100 -0.455 0.000 0.905 1207 T CB -0.774 67.574 68.868 -0.866 0.000 1.067 1207 T HN 0.432 nan 8.240 nan 0.000 0.569 1208 L N 0.632 121.764 121.223 -0.151 0.000 3.954 1208 L HA -0.296 4.044 4.340 -0.000 0.000 0.462 1208 L C 0.964 177.811 176.870 -0.039 0.000 1.195 1208 L CA 0.355 55.151 54.840 -0.073 0.000 0.739 1208 L CB -2.370 39.644 42.059 -0.076 0.000 1.599 1208 L HN 0.866 nan 8.230 nan 0.000 0.838 1209 A N -0.437 122.377 122.820 -0.009 0.000 2.815 1209 A HA -0.185 4.135 4.320 -0.000 0.000 0.292 1209 A C 0.690 178.318 177.584 0.073 0.000 1.457 1209 A CA 1.414 53.495 52.037 0.073 0.000 0.735 1209 A CB -1.150 17.904 19.000 0.089 0.000 1.056 1209 A HN 0.691 nan 8.150 nan 0.000 0.474 1210 E N -0.481 119.734 120.200 0.025 0.000 2.369 1210 E HA 0.290 4.640 4.350 -0.000 0.000 0.255 1210 E C 0.637 177.394 176.600 0.262 0.000 1.172 1210 E CA -0.191 56.262 56.400 0.088 0.000 0.932 1210 E CB 0.400 30.090 29.700 -0.016 0.000 1.040 1210 E HN 0.710 nan 8.360 nan 0.000 0.454 1211 Q N 2.018 121.952 119.800 0.224 0.000 2.295 1211 Q HA 0.202 4.542 4.340 -0.000 0.000 0.259 1211 Q C -2.391 173.670 176.000 0.102 0.000 0.976 1211 Q CA -1.781 54.135 55.803 0.188 0.000 0.923 1211 Q CB 0.849 29.669 28.738 0.137 0.000 1.185 1211 Q HN 0.009 nan 8.270 nan 0.000 0.410 1212 P HA -0.075 nan 4.420 nan 0.000 0.264 1212 P C -1.325 175.663 177.300 -0.521 0.000 1.193 1212 P CA 0.441 63.032 63.100 -0.849 0.000 0.763 1212 P CB 0.058 31.109 31.700 -1.082 0.000 0.810 1213 Y N -0.594 119.446 120.300 -0.433 0.000 3.929 1213 Y HA -0.256 4.294 4.550 -0.000 0.000 0.225 1213 Y C 0.889 176.687 175.900 -0.170 0.000 1.200 1213 Y CA 0.292 58.212 58.100 -0.300 0.000 1.791 1213 Y CB -2.925 35.356 38.460 -0.298 0.000 1.561 1213 Y HN 0.396 nan 8.280 nan 0.000 0.657 1214 Q N 1.114 120.910 119.800 -0.008 0.000 2.304 1214 Q HA 0.318 4.658 4.340 -0.000 0.000 0.315 1214 Q C 1.434 177.433 176.000 -0.002 0.000 1.075 1214 Q CA 2.064 57.882 55.803 0.025 0.000 0.988 1214 Q CB 0.296 29.067 28.738 0.055 0.000 1.146 1214 Q HN 0.833 nan 8.270 nan 0.000 0.383 1215 G N 2.712 111.509 108.800 -0.004 0.000 2.213 1215 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 1215 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 1215 G C -0.266 174.607 174.900 -0.046 0.000 0.991 1215 G CA -0.002 45.083 45.100 -0.024 0.000 0.629 1215 G HN 0.533 nan 8.290 nan 0.000 0.517 1216 L N 1.971 123.162 121.223 -0.053 0.000 2.334 1216 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 1216 L C 0.999 177.848 176.870 -0.036 0.000 1.014 1216 L CA -0.450 54.344 54.840 -0.076 0.000 0.815 1216 L CB 1.960 43.926 42.059 -0.155 0.000 1.268 1216 L HN 0.378 nan 8.230 nan 0.000 0.428 1217 S N 0.653 116.334 115.700 -0.033 0.000 2.610 1217 S HA 0.207 4.677 4.470 -0.000 0.000 0.273 1217 S C 0.807 175.399 174.600 -0.013 0.000 1.274 1217 S CA -0.826 57.367 58.200 -0.011 0.000 1.023 1217 S CB 1.168 64.364 63.200 -0.007 0.000 0.962 1217 S HN 0.599 nan 8.310 nan 0.000 0.523 1218 N N 1.971 120.676 118.700 0.009 0.000 2.089 1218 N HA -0.257 4.483 4.740 -0.000 0.000 0.198 1218 N C 1.573 177.079 175.510 -0.008 0.000 1.017 1218 N CA 2.130 55.188 53.050 0.012 0.000 0.880 1218 N CB -0.741 37.767 38.487 0.034 0.000 1.042 1218 N HN 0.961 nan 8.380 nan 0.000 0.446 1219 E N 0.746 120.944 120.200 -0.004 0.000 2.085 1219 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 1219 E C 1.821 178.413 176.600 -0.014 0.000 0.994 1219 E CA 1.212 57.608 56.400 -0.006 0.000 0.801 1219 E CB 0.043 29.742 29.700 -0.001 0.000 0.743 1219 E HN 0.469 nan 8.360 nan 0.000 0.453 1220 Q N -0.032 119.755 119.800 -0.022 0.000 1.965 1220 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 1220 Q C 2.450 178.433 176.000 -0.028 0.000 0.981 1220 Q CA 1.772 57.561 55.803 -0.023 0.000 0.834 1220 Q CB -0.147 28.563 28.738 -0.046 0.000 0.900 1220 Q HN 0.228 nan 8.270 nan 0.000 0.426 1221 V N 2.043 121.900 119.914 -0.096 0.000 2.313 1221 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 1221 V C 2.328 178.342 176.094 -0.133 0.000 1.070 1221 V CA 1.575 63.755 62.300 -0.199 0.000 1.057 1221 V CB -0.844 30.802 31.823 -0.295 0.000 0.653 1221 V HN 0.425 nan 8.190 nan 0.000 0.450 1222 L N -0.050 121.125 121.223 -0.081 0.000 1.978 1222 L HA -0.245 4.095 4.340 -0.000 0.000 0.218 1222 L C 2.658 179.501 176.870 -0.046 0.000 1.075 1222 L CA 2.386 57.190 54.840 -0.060 0.000 0.767 1222 L CB -0.930 41.110 42.059 -0.032 0.000 0.890 1222 L HN 0.327 nan 8.230 nan 0.000 0.434 1223 R N -1.716 118.776 120.500 -0.012 0.000 2.066 1223 R HA -0.207 4.133 4.340 -0.000 0.000 0.232 1223 R C 2.291 178.604 176.300 0.021 0.000 1.131 1223 R CA 1.636 57.739 56.100 0.004 0.000 0.955 1223 R CB -0.468 29.845 30.300 0.023 0.000 0.851 1223 R HN 0.294 nan 8.270 nan 0.000 0.432 1224 F N 0.930 120.812 119.950 -0.113 0.000 2.043 1224 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 1224 F C 2.040 177.777 175.800 -0.104 0.000 1.121 1224 F CA 1.635 59.566 58.000 -0.114 0.000 1.199 1224 F CB -0.529 38.372 39.000 -0.165 0.000 0.968 1224 F HN -0.240 nan 8.300 nan 0.000 0.478 1225 V N 0.254 120.103 119.914 -0.110 0.000 2.594 1225 V HA -0.308 3.812 4.120 -0.000 0.000 0.253 1225 V C 2.368 178.399 176.094 -0.105 0.000 1.069 1225 V CA 2.019 64.226 62.300 -0.154 0.000 1.082 1225 V CB -0.571 31.162 31.823 -0.150 0.000 0.680 1225 V HN 0.470 nan 8.190 nan 0.000 0.469 1226 M N -0.833 118.714 119.600 -0.089 0.000 2.447 1226 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 1226 M C 1.674 178.008 176.300 0.057 0.000 1.095 1226 M CA 1.291 56.574 55.300 -0.028 0.000 1.125 1226 M CB 0.160 32.730 32.600 -0.050 0.000 1.389 1226 M HN 0.244 nan 8.290 nan 0.000 0.459 1227 E N -0.850 119.319 120.200 -0.052 0.000 2.463 1227 E HA 0.180 4.530 4.350 -0.000 0.000 0.193 1227 E C 0.767 177.263 176.600 -0.175 0.000 1.041 1227 E CA 0.426 56.764 56.400 -0.104 0.000 0.879 1227 E CB 0.464 30.096 29.700 -0.113 0.000 0.997 1227 E HN 0.606 nan 8.360 nan 0.000 0.478 1228 G N 0.316 109.058 108.800 -0.097 0.000 2.168 1228 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.197 1228 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.197 1228 G C 0.500 175.282 174.900 -0.196 0.000 0.997 1228 G CA -0.493 44.564 45.100 -0.072 0.000 0.658 1228 G HN 0.447 nan 8.290 nan 0.000 0.513 1229 G N -0.109 108.351 108.800 -0.567 0.000 2.441 1229 G HA2 0.557 4.517 3.960 -0.000 0.000 0.243 1229 G HA3 0.557 4.517 3.960 -0.000 0.000 0.243 1229 G C 0.174 174.855 174.900 -0.364 0.000 1.281 1229 G CA 0.030 44.470 45.100 -1.101 0.000 0.854 1229 G HN 0.662 nan 8.290 nan 0.000 0.560 1230 L N 0.727 121.944 121.223 -0.010 0.000 2.301 1230 L HA 0.474 4.814 4.340 -0.000 0.000 0.264 1230 L C 0.095 177.054 176.870 0.148 0.000 1.016 1230 L CA -1.079 53.798 54.840 0.062 0.000 0.821 1230 L CB 1.888 43.987 42.059 0.066 0.000 1.346 1230 L HN 0.298 nan 8.230 nan 0.000 0.429 1231 L N 0.926 121.985 121.223 -0.274 0.000 2.439 1231 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 1231 L C -0.143 176.793 176.870 0.110 0.000 1.179 1231 L CA -0.197 54.419 54.840 -0.373 0.000 0.828 1231 L CB 0.312 41.651 42.059 -1.200 0.000 1.106 1231 L HN 0.458 nan 8.230 nan 0.000 0.467 1232 D N 2.418 122.920 120.400 0.170 0.000 2.304 1232 D HA 0.062 4.702 4.640 -0.000 0.000 0.247 1232 D C 0.023 176.454 176.300 0.219 0.000 1.089 1232 D CA -0.346 53.780 54.000 0.209 0.000 0.910 1232 D CB 1.109 41.978 40.800 0.115 0.000 1.199 1232 D HN 0.325 nan 8.370 nan 0.000 0.426 1233 K N 2.101 122.358 120.400 -0.239 0.000 2.484 1233 K HA 0.068 4.388 4.320 -0.000 0.000 0.280 1233 K C -2.343 174.100 176.600 -0.261 0.000 1.013 1233 K CA -0.959 54.867 56.287 -0.769 0.000 1.029 1233 K CB 0.257 31.902 32.500 -1.425 0.000 0.902 1233 K HN 0.049 nan 8.250 nan 0.000 0.481 1234 P HA 0.055 nan 4.420 nan 0.000 0.276 1234 P C -1.297 175.883 177.300 -0.199 0.000 1.264 1234 P CA -0.296 62.661 63.100 -0.238 0.000 0.769 1234 P CB 0.471 31.928 31.700 -0.406 0.000 0.840 1235 D N 3.644 123.951 120.400 -0.155 0.000 2.658 1235 D HA -0.137 4.503 4.640 -0.000 0.000 0.230 1235 D C 0.914 177.142 176.300 -0.120 0.000 1.118 1235 D CA 1.052 54.979 54.000 -0.123 0.000 0.848 1235 D CB -0.383 40.360 40.800 -0.095 0.000 1.160 1235 D HN 0.508 nan 8.370 nan 0.000 0.497 1236 N N -0.973 117.667 118.700 -0.100 0.000 2.984 1236 N HA -0.212 4.528 4.740 -0.000 0.000 0.227 1236 N C 0.076 175.536 175.510 -0.083 0.000 0.903 1236 N CA 0.206 53.206 53.050 -0.083 0.000 0.995 1236 N CB -1.300 37.140 38.487 -0.078 0.000 1.065 1236 N HN 0.474 nan 8.380 nan 0.000 0.585 1237 C N 2.588 121.827 119.300 -0.102 0.000 2.632 1237 C HA 0.253 4.713 4.460 -0.000 0.000 0.415 1237 C C -1.662 173.306 174.990 -0.038 0.000 1.332 1237 C CA -1.136 57.836 59.018 -0.078 0.000 1.874 1237 C CB -0.268 27.421 27.740 -0.085 0.000 2.596 1237 C HN 0.158 nan 8.230 nan 0.000 0.590 1238 P HA 0.046 nan 4.420 nan 0.000 0.264 1238 P C 0.175 177.497 177.300 0.036 0.000 1.179 1238 P CA 0.635 63.736 63.100 0.002 0.000 0.763 1238 P CB 0.475 32.176 31.700 0.002 0.000 0.806 1239 D N 1.478 121.901 120.400 0.038 0.000 2.178 1239 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 1239 D C 1.713 178.073 176.300 0.100 0.000 0.980 1239 D CA 1.069 55.115 54.000 0.077 0.000 0.842 1239 D CB -0.341 40.491 40.800 0.053 0.000 0.948 1239 D HN 0.416 nan 8.370 nan 0.000 0.472 1240 M N 0.094 119.727 119.600 0.055 0.000 2.091 1240 M HA -0.187 4.293 4.480 -0.000 0.000 0.259 1240 M C 1.904 178.224 176.300 0.032 0.000 1.076 1240 M CA 1.328 56.649 55.300 0.034 0.000 1.111 1240 M CB -0.432 32.177 32.600 0.014 0.000 1.291 1240 M HN 0.085 nan 8.290 nan 0.000 0.417 1241 L N 0.652 121.895 121.223 0.033 0.000 2.103 1241 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 1241 L C 2.276 179.165 176.870 0.031 0.000 1.080 1241 L CA 2.060 56.911 54.840 0.019 0.000 0.764 1241 L CB -1.166 40.905 42.059 0.020 0.000 0.890 1241 L HN 0.531 nan 8.230 nan 0.000 0.435 1242 F N -0.574 119.348 119.950 -0.047 0.000 2.456 1242 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 1242 F C 2.269 178.032 175.800 -0.062 0.000 1.104 1242 F CA 1.053 59.033 58.000 -0.034 0.000 1.435 1242 F CB 0.032 39.046 39.000 0.023 0.000 1.078 1242 F HN 0.108 nan 8.300 nan 0.000 0.546 1243 E N 0.549 120.677 120.200 -0.120 0.000 2.051 1243 E HA -0.110 4.239 4.350 -0.000 0.000 0.189 1243 E C 2.365 178.803 176.600 -0.270 0.000 0.979 1243 E CA 0.947 57.227 56.400 -0.200 0.000 0.803 1243 E CB -0.569 29.097 29.700 -0.056 0.000 0.761 1243 E HN 0.428 nan 8.360 nan 0.000 0.451 1244 L N -0.066 121.040 121.223 -0.195 0.000 2.021 1244 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 1244 L C 2.313 178.960 176.870 -0.371 0.000 1.074 1244 L CA 1.563 56.288 54.840 -0.191 0.000 0.760 1244 L CB -0.249 41.755 42.059 -0.092 0.000 0.889 1244 L HN 0.333 nan 8.230 nan 0.000 0.433 1245 M N -1.348 117.913 119.600 -0.564 0.000 2.080 1245 M HA -0.260 4.220 4.480 -0.000 0.000 0.260 1245 M C 2.288 177.869 176.300 -1.199 0.000 1.068 1245 M CA 1.758 56.381 55.300 -1.128 0.000 1.109 1245 M CB -0.432 31.422 32.600 -1.244 0.000 1.342 1245 M HN 0.131 nan 8.290 nan 0.000 0.405 1246 R N -0.123 119.900 120.500 -0.795 0.000 2.152 1246 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 1246 R C 2.112 178.247 176.300 -0.275 0.000 1.117 1246 R CA 1.313 57.144 56.100 -0.448 0.000 0.981 1246 R CB -0.272 29.799 30.300 -0.383 0.000 0.870 1246 R HN 0.450 nan 8.270 nan 0.000 0.451 1247 M N -0.656 118.767 119.600 -0.295 0.000 2.099 1247 M HA -0.171 4.308 4.480 -0.000 0.000 0.262 1247 M C 2.356 178.543 176.300 -0.188 0.000 1.067 1247 M CA 1.298 56.487 55.300 -0.185 0.000 1.124 1247 M CB -0.246 32.260 32.600 -0.157 0.000 1.353 1247 M HN 0.203 nan 8.290 nan 0.000 0.410 1248 C N -0.605 118.494 119.300 -0.336 0.000 2.422 1248 C HA -0.127 4.333 4.460 -0.000 0.000 0.286 1248 C C 1.519 176.374 174.990 -0.224 0.000 1.412 1248 C CA 0.295 59.131 59.018 -0.302 0.000 1.786 1248 C CB -1.147 26.351 27.740 -0.403 0.000 1.835 1248 C HN 0.653 nan 8.230 nan 0.000 0.533 1249 W N 0.065 121.225 121.300 -0.233 0.000 3.067 1249 W HA 0.357 5.017 4.660 -0.000 0.000 0.417 1249 W C 0.678 177.239 176.519 0.070 0.000 1.029 1249 W CA -0.809 56.321 57.345 -0.359 0.000 1.992 1249 W CB -1.155 27.872 29.460 -0.721 0.000 1.122 1249 W HN 0.246 nan 8.180 nan 0.000 0.681 1250 Q N 0.374 120.316 119.800 0.236 0.000 2.247 1250 Q HA -0.120 4.220 4.340 -0.000 0.000 0.288 1250 Q C 1.139 177.321 176.000 0.304 0.000 1.079 1250 Q CA 0.389 56.320 55.803 0.214 0.000 0.932 1250 Q CB 0.212 29.007 28.738 0.094 0.000 1.133 1250 Q HN 0.302 nan 8.270 nan 0.000 0.377 1251 Y N 3.321 123.738 120.300 0.194 0.000 2.181 1251 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 1251 Y C 0.649 176.590 175.900 0.068 0.000 1.179 1251 Y CA 1.762 59.950 58.100 0.145 0.000 1.179 1251 Y CB 0.331 38.833 38.460 0.071 0.000 0.973 1251 Y HN 0.611 nan 8.280 nan 0.000 0.519 1252 N N 0.623 119.425 118.700 0.171 0.000 2.420 1252 N HA 0.092 4.832 4.740 -0.000 0.000 0.249 1252 N C -2.181 173.307 175.510 -0.037 0.000 1.033 1252 N CA -2.069 51.015 53.050 0.057 0.000 0.944 1252 N CB 1.340 39.866 38.487 0.064 0.000 1.113 1252 N HN -0.009 nan 8.380 nan 0.000 0.502 1253 P HA -0.165 nan 4.420 nan 0.000 0.217 1253 P C 0.703 177.740 177.300 -0.439 0.000 1.148 1253 P CA 1.471 64.492 63.100 -0.132 0.000 0.834 1253 P CB 0.336 32.052 31.700 0.026 0.000 0.783 1254 K N -1.260 118.919 120.400 -0.368 0.000 2.365 1254 K HA 0.056 4.376 4.320 -0.000 0.000 0.199 1254 K C 1.744 178.168 176.600 -0.294 0.000 1.045 1254 K CA 0.943 56.965 56.287 -0.442 0.000 0.962 1254 K CB -0.268 32.103 32.500 -0.215 0.000 0.759 1254 K HN 0.275 nan 8.250 nan 0.000 0.469 1255 M N 0.606 120.098 119.600 -0.180 0.000 2.514 1255 M HA 0.035 4.515 4.480 -0.000 0.000 0.258 1255 M C 0.610 176.848 176.300 -0.102 0.000 1.119 1255 M CA 0.539 55.776 55.300 -0.104 0.000 1.111 1255 M CB -0.144 32.433 32.600 -0.038 0.000 1.390 1255 M HN -0.009 nan 8.290 nan 0.000 0.475 1256 R N 1.123 121.547 120.500 -0.126 0.000 2.707 1256 R HA 0.233 4.573 4.340 -0.000 0.000 0.270 1256 R C -2.270 173.958 176.300 -0.120 0.000 1.083 1256 R CA -1.407 54.638 56.100 -0.092 0.000 1.182 1256 R CB -0.576 29.701 30.300 -0.038 0.000 1.084 1256 R HN -0.024 nan 8.270 nan 0.000 0.528 1257 P HA 0.026 nan 4.420 nan 0.000 0.274 1257 P C -0.565 176.631 177.300 -0.173 0.000 1.237 1257 P CA -0.354 62.674 63.100 -0.120 0.000 0.793 1257 P CB 0.920 32.551 31.700 -0.115 0.000 0.977 1258 S N 0.490 116.111 115.700 -0.132 0.000 2.655 1258 S HA 0.271 4.741 4.470 -0.000 0.000 0.265 1258 S C 0.810 175.275 174.600 -0.225 0.000 1.240 1258 S CA -0.212 57.890 58.200 -0.163 0.000 0.986 1258 S CB -0.106 63.084 63.200 -0.017 0.000 0.985 1258 S HN 0.173 nan 8.310 nan 0.000 0.562 1259 F N 0.109 120.049 119.950 -0.017 0.000 2.206 1259 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 1259 F C 2.068 177.856 175.800 -0.021 0.000 1.090 1259 F CA 0.648 58.593 58.000 -0.092 0.000 1.323 1259 F CB -0.920 38.032 39.000 -0.079 0.000 1.028 1259 F HN 0.405 nan 8.300 nan 0.000 0.492 1260 L N -0.368 120.997 121.223 0.237 0.000 2.083 1260 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 1260 L C 2.286 179.262 176.870 0.176 0.000 1.083 1260 L CA 1.364 56.364 54.840 0.267 0.000 0.752 1260 L CB -0.661 41.547 42.059 0.250 0.000 0.899 1260 L HN 0.163 nan 8.230 nan 0.000 0.433 1261 E N 0.450 120.702 120.200 0.087 0.000 2.017 1261 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 1261 E C 2.271 178.872 176.600 0.001 0.000 0.997 1261 E CA 1.467 57.891 56.400 0.040 0.000 0.804 1261 E CB -0.150 29.550 29.700 -0.000 0.000 0.757 1261 E HN 0.434 nan 8.360 nan 0.000 0.448 1262 I N 1.256 121.810 120.570 -0.027 0.000 2.151 1262 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 1262 I C 2.499 178.575 176.117 -0.067 0.000 1.080 1262 I CA 1.255 62.526 61.300 -0.048 0.000 1.339 1262 I CB -0.635 37.313 38.000 -0.087 0.000 1.039 1262 I HN 0.147 nan 8.210 nan 0.000 0.409 1263 I N 0.413 120.927 120.570 -0.094 0.000 2.118 1263 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 1263 I C 2.777 178.706 176.117 -0.314 0.000 1.070 1263 I CA 1.505 62.664 61.300 -0.235 0.000 1.327 1263 I CB -0.618 37.168 38.000 -0.357 0.000 1.034 1263 I HN 0.173 nan 8.210 nan 0.000 0.405 1264 S N 0.604 116.151 115.700 -0.255 0.000 2.392 1264 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 1264 S C 2.071 176.643 174.600 -0.045 0.000 1.041 1264 S CA 1.978 60.116 58.200 -0.102 0.000 1.026 1264 S CB -0.390 62.866 63.200 0.093 0.000 0.845 1264 S HN 0.667 nan 8.310 nan 0.000 0.465 1265 S N 0.985 116.659 115.700 -0.043 0.000 2.607 1265 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 1265 S C 1.286 175.870 174.600 -0.026 0.000 0.969 1265 S CA 0.664 58.852 58.200 -0.021 0.000 0.927 1265 S CB -0.543 62.645 63.200 -0.020 0.000 0.772 1265 S HN 0.755 nan 8.310 nan 0.000 0.533 1266 I N -2.642 117.896 120.570 -0.053 0.000 4.670 1266 I HA 0.327 4.497 4.170 -0.000 0.000 0.339 1266 I C 1.514 177.594 176.117 -0.061 0.000 1.310 1266 I CA -0.201 61.067 61.300 -0.053 0.000 1.288 1266 I CB -0.150 37.812 38.000 -0.063 0.000 1.427 1266 I HN 0.144 nan 8.210 nan 0.000 0.494 1267 K N 1.607 121.967 120.400 -0.067 0.000 2.144 1267 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 1267 K C 1.364 178.029 176.600 0.110 0.000 1.047 1267 K CA 2.084 58.378 56.287 0.012 0.000 0.927 1267 K CB -0.428 32.094 32.500 0.036 0.000 0.716 1267 K HN 0.304 nan 8.250 nan 0.000 0.454 1268 E N 0.847 121.096 120.200 0.081 0.000 2.268 1268 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 1268 E C 1.160 177.784 176.600 0.040 0.000 0.995 1268 E CA 0.995 57.441 56.400 0.077 0.000 0.836 1268 E CB 0.055 29.791 29.700 0.061 0.000 0.763 1268 E HN 0.450 nan 8.360 nan 0.000 0.491 1269 E N -0.443 119.761 120.200 0.006 0.000 2.465 1269 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 1269 E C 0.286 176.862 176.600 -0.041 0.000 1.053 1269 E CA -0.009 56.382 56.400 -0.015 0.000 0.869 1269 E CB 0.187 29.873 29.700 -0.023 0.000 0.977 1269 E HN 0.082 nan 8.360 nan 0.000 0.483 1270 M N 0.669 120.235 119.600 -0.057 0.000 2.267 1270 M HA 0.221 4.701 4.480 -0.000 0.000 0.303 1270 M C 0.629 176.926 176.300 -0.006 0.000 1.164 1270 M CA -0.270 54.965 55.300 -0.108 0.000 1.060 1270 M CB 0.367 32.774 32.600 -0.322 0.000 1.455 1270 M HN -0.097 nan 8.290 nan 0.000 0.483 1271 E N 0.945 121.153 120.200 0.013 0.000 2.392 1271 E HA 0.138 4.488 4.350 -0.000 0.000 0.259 1271 E C -1.673 174.993 176.600 0.111 0.000 1.108 1271 E CA -1.429 55.006 56.400 0.058 0.000 0.916 1271 E CB -0.191 29.546 29.700 0.062 0.000 0.989 1271 E HN 0.345 nan 8.360 nan 0.000 0.432 1272 P HA -0.235 nan 4.420 nan 0.000 0.219 1272 P C 1.373 178.740 177.300 0.112 0.000 1.158 1272 P CA 2.024 65.173 63.100 0.082 0.000 0.895 1272 P CB -0.043 31.688 31.700 0.051 0.000 0.792 1273 G N -1.403 107.474 108.800 0.130 0.000 2.440 1273 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 1273 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 1273 G C 1.357 176.377 174.900 0.200 0.000 1.154 1273 G CA 0.534 45.713 45.100 0.131 0.000 0.767 1273 G HN 0.129 nan 8.290 nan 0.000 0.552 1274 F N 1.672 121.695 119.950 0.122 0.000 2.053 1274 F HA -0.304 4.223 4.527 -0.000 0.000 0.295 1274 F C 2.662 178.599 175.800 0.227 0.000 1.102 1274 F CA 2.349 60.471 58.000 0.204 0.000 1.225 1274 F CB -0.531 38.597 39.000 0.213 0.000 0.961 1274 F HN 0.157 nan 8.300 nan 0.000 0.495 1275 R N 0.363 120.939 120.500 0.127 0.000 2.185 1275 R HA -0.224 4.116 4.340 -0.000 0.000 0.247 1275 R C 1.676 177.932 176.300 -0.073 0.000 1.159 1275 R CA 2.015 58.035 56.100 -0.134 0.000 0.988 1275 R CB -0.344 29.764 30.300 -0.320 0.000 0.871 1275 R HN 0.668 nan 8.270 nan 0.000 0.458 1276 E N -1.059 119.121 120.200 -0.034 0.000 2.498 1276 E HA 0.012 4.362 4.350 -0.000 0.000 0.203 1276 E C 1.070 177.638 176.600 -0.055 0.000 1.013 1276 E CA 0.392 56.767 56.400 -0.042 0.000 0.927 1276 E CB 0.991 30.666 29.700 -0.041 0.000 1.012 1276 E HN 0.325 nan 8.360 nan 0.000 0.482 1277 V N -2.121 117.760 119.914 -0.056 0.000 3.497 1277 V HA 0.183 4.303 4.120 -0.000 0.000 0.272 1277 V C 0.905 177.037 176.094 0.063 0.000 1.474 1277 V CA 0.038 62.276 62.300 -0.103 0.000 1.025 1277 V CB 0.349 31.949 31.823 -0.371 0.000 0.820 1277 V HN 0.192 nan 8.190 nan 0.000 0.437 1278 S N 0.246 115.932 115.700 -0.023 0.000 2.603 1278 S HA 0.381 4.851 4.470 -0.000 0.000 0.268 1278 S C 0.698 175.322 174.600 0.040 0.000 1.317 1278 S CA 0.177 58.319 58.200 -0.096 0.000 1.012 1278 S CB 1.070 63.631 63.200 -1.066 0.000 0.926 1278 S HN 0.481 nan 8.310 nan 0.000 0.539 1279 F N 2.291 122.246 119.950 0.007 0.000 2.206 1279 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 1279 F C 1.890 177.700 175.800 0.017 0.000 1.090 1279 F CA 1.103 59.143 58.000 0.067 0.000 1.323 1279 F CB -0.719 38.389 39.000 0.181 0.000 1.028 1279 F HN 0.843 nan 8.300 nan 0.000 0.492 1280 Y N 0.124 120.248 120.300 -0.294 0.000 2.102 1280 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 1280 Y C 1.239 176.791 175.900 -0.581 0.000 1.178 1280 Y CA 2.331 60.128 58.100 -0.504 0.000 1.146 1280 Y CB -0.723 37.437 38.460 -0.500 0.000 0.968 1280 Y HN 0.184 nan 8.280 nan 0.000 0.504 1281 Y N 0.166 120.325 120.300 -0.234 0.000 2.532 1281 Y HA 0.179 4.729 4.550 -0.000 0.000 0.283 1281 Y C 1.069 176.837 175.900 -0.220 0.000 1.181 1281 Y CA -0.376 57.586 58.100 -0.230 0.000 1.256 1281 Y CB -0.055 38.337 38.460 -0.115 0.000 1.112 1281 Y HN 0.017 nan 8.280 nan 0.000 0.521 1282 S N -1.123 114.475 115.700 -0.169 0.000 2.713 1282 S HA 0.174 4.644 4.470 -0.000 0.000 0.277 1282 S C 1.091 175.610 174.600 -0.134 0.000 1.168 1282 S CA -0.731 57.404 58.200 -0.108 0.000 0.994 1282 S CB 1.251 64.414 63.200 -0.060 0.000 1.054 1282 S HN 0.128 nan 8.310 nan 0.000 0.555 1283 E N 0.954 121.119 120.200 -0.060 0.000 2.107 1283 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 1283 E C 1.862 178.432 176.600 -0.050 0.000 0.982 1283 E CA 1.153 57.524 56.400 -0.048 0.000 0.809 1283 E CB -0.514 29.181 29.700 -0.009 0.000 0.756 1283 E HN 0.820 nan 8.360 nan 0.000 0.459 1284 E N 0.762 120.960 120.200 -0.004 0.000 2.333 1284 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 1284 E C 1.054 177.624 176.600 -0.050 0.000 1.007 1284 E CA 0.513 56.952 56.400 0.064 0.000 0.845 1284 E CB -0.138 29.724 29.700 0.269 0.000 0.766 1284 E HN -0.004 nan 8.360 nan 0.000 0.507 1285 N N 0.800 119.306 118.700 -0.322 0.000 2.327 1285 N HA -0.021 4.719 4.740 -0.000 0.000 0.231 1285 N C -1.122 174.220 175.510 -0.281 0.000 1.130 1285 N CA 0.114 52.879 53.050 -0.476 0.000 0.845 1285 N CB -0.055 37.853 38.487 -0.965 0.000 1.073 1285 N HN -0.089 nan 8.380 nan 0.000 0.496 1286 K N 0.000 120.306 120.400 -0.157 0.000 2.780 1286 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1286 K CA 0.000 56.223 56.287 -0.107 0.000 0.838 1286 K CB 0.000 32.439 32.500 -0.102 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543