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 2e9x_1_C DATA FIRST_RESID 998 DATA SEQUENCE GPHMSEAYFR VESGALGPEE NFLSLDDILM SHEKLPVRTE TAMPRLGAFF DATA SEQUENCE XXXXXXXXXD NAVPQGSKLE LPLWLAKGLF DNKRRILSVE LPKIYQEGWR DATA SEQUENCE TVFSADPNVV DLHKMGPHFY GFGSQLLHFD SPENADISQS LLQTFIGRFR DATA SEQUENCE RIMDSSQNAY NEDTSALVAR LDEMERGLFQ TGQKGLNDFQ CWEKG 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 998 G HA2 0.000 nan 3.960 nan 0.000 0.244 998 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 998 G C 0.000 174.832 174.900 -0.113 0.000 0.946 998 G CA 0.000 45.014 45.100 -0.144 0.000 0.502 999 P HA -0.079 nan 4.420 nan 0.000 0.216 999 P C 1.006 178.370 177.300 0.107 0.000 1.153 999 P CA 1.100 64.253 63.100 0.088 0.000 0.844 999 P CB 0.034 31.828 31.700 0.157 0.000 0.787 1000 H N -1.523 117.566 119.070 0.032 0.000 2.547 1000 H HA 0.242 4.797 4.556 -0.002 0.000 0.274 1000 H C 1.567 176.922 175.328 0.045 0.000 1.024 1000 H CA -0.115 55.957 56.048 0.040 0.000 1.155 1000 H CB -0.881 28.903 29.762 0.036 0.000 1.344 1000 H HN 0.195 nan 8.280 nan 0.000 0.598 1001 M N 0.693 120.196 119.600 -0.162 0.000 2.659 1001 M HA -0.012 4.466 4.480 -0.002 0.000 0.243 1001 M C 0.868 177.181 176.300 0.022 0.000 1.111 1001 M CA 0.124 55.353 55.300 -0.118 0.000 1.070 1001 M CB 0.146 32.651 32.600 -0.159 0.000 1.525 1001 M HN 0.101 nan 8.290 nan 0.000 0.517 1002 S N 0.426 116.171 115.700 0.074 0.000 2.447 1002 S HA -0.145 4.324 4.470 -0.002 0.000 0.233 1002 S C 1.579 176.268 174.600 0.148 0.000 1.006 1002 S CA 1.118 59.401 58.200 0.139 0.000 0.957 1002 S CB -0.184 63.089 63.200 0.122 0.000 0.773 1002 S HN 0.622 nan 8.310 nan 0.000 0.507 1003 E N 0.892 121.174 120.200 0.136 0.000 2.190 1003 E HA 0.103 4.452 4.350 -0.002 0.000 0.191 1003 E C 1.772 178.513 176.600 0.235 0.000 0.978 1003 E CA 0.548 57.055 56.400 0.178 0.000 0.839 1003 E CB -0.052 29.744 29.700 0.159 0.000 0.787 1003 E HN 0.478 nan 8.360 nan 0.000 0.473 1004 A N 0.262 123.132 122.820 0.083 0.000 2.218 1004 A HA -0.038 4.280 4.320 -0.002 0.000 0.209 1004 A C 0.312 177.597 177.584 -0.498 0.000 1.168 1004 A CA -0.056 51.905 52.037 -0.127 0.000 0.804 1004 A CB -0.077 18.867 19.000 -0.094 0.000 0.834 1004 A HN 0.367 nan 8.150 nan 0.000 0.482 1005 Y N 0.671 120.773 120.300 -0.330 0.000 2.504 1005 Y HA 0.512 5.060 4.550 -0.002 0.000 0.339 1005 Y C -0.947 174.910 175.900 -0.072 0.000 0.974 1005 Y CA -2.353 55.568 58.100 -0.299 0.000 1.232 1005 Y CB -0.472 37.914 38.460 -0.123 0.000 1.108 1005 Y HN 0.186 nan 8.280 nan 0.000 0.509 1006 F N 7.013 126.876 119.950 -0.144 0.000 2.573 1006 F HA 0.309 4.834 4.527 -0.002 0.000 0.349 1006 F C 0.809 176.396 175.800 -0.356 0.000 1.213 1006 F CA -1.039 56.822 58.000 -0.232 0.000 1.300 1006 F CB -0.050 38.904 39.000 -0.075 0.000 1.661 1006 F HN 0.397 nan 8.300 nan 0.000 0.616 1007 R N -0.126 120.021 120.500 -0.589 0.000 2.640 1007 R HA 0.224 4.563 4.340 -0.002 0.000 0.270 1007 R C -0.509 175.724 176.300 -0.112 0.000 1.024 1007 R CA -0.600 55.256 56.100 -0.405 0.000 1.085 1007 R CB 0.423 30.438 30.300 -0.475 0.000 0.963 1007 R HN 0.199 nan 8.270 nan 0.000 0.426 1008 V N 3.605 123.503 119.914 -0.025 0.000 2.529 1008 V HA -0.016 4.102 4.120 -0.002 0.000 0.292 1008 V C 0.717 176.812 176.094 0.001 0.000 1.028 1008 V CA 0.248 62.553 62.300 0.008 0.000 1.074 1008 V CB 0.348 32.191 31.823 0.034 0.000 0.958 1008 V HN 0.800 nan 8.190 nan 0.000 0.481 1009 E N 2.322 122.523 120.200 0.001 0.000 2.369 1009 E HA 0.290 4.639 4.350 -0.002 0.000 0.255 1009 E C 0.202 176.814 176.600 0.021 0.000 1.172 1009 E CA -0.347 56.058 56.400 0.008 0.000 0.932 1009 E CB 0.708 30.409 29.700 0.002 0.000 1.040 1009 E HN 0.675 nan 8.360 nan 0.000 0.454 1010 S N -0.751 114.966 115.700 0.030 0.000 2.580 1010 S HA 0.326 4.795 4.470 -0.002 0.000 0.274 1010 S C 0.601 175.214 174.600 0.022 0.000 1.329 1010 S CA -0.034 58.186 58.200 0.034 0.000 1.036 1010 S CB 0.774 64.009 63.200 0.058 0.000 0.919 1010 S HN 0.617 nan 8.310 nan 0.000 0.515 1011 G N 1.772 110.584 108.800 0.020 0.000 3.342 1011 G HA2 0.414 4.372 3.960 -0.002 0.000 0.252 1011 G HA3 0.414 4.372 3.960 -0.002 0.000 0.252 1011 G C 1.048 175.949 174.900 0.002 0.000 1.011 1011 G CA 0.381 45.488 45.100 0.012 0.000 0.869 1011 G HN 0.922 nan 8.290 nan 0.000 0.514 1012 A N 0.657 123.477 122.820 -0.000 0.000 2.131 1012 A HA 0.112 4.431 4.320 -0.002 0.000 0.220 1012 A C 2.109 179.668 177.584 -0.042 0.000 1.158 1012 A CA 0.723 52.744 52.037 -0.026 0.000 0.665 1012 A CB -0.248 18.742 19.000 -0.016 0.000 0.795 1012 A HN 0.382 nan 8.150 nan 0.000 0.460 1013 L N -1.309 119.898 121.223 -0.026 0.000 2.313 1013 L HA 0.061 4.400 4.340 -0.002 0.000 0.214 1013 L C 1.817 178.661 176.870 -0.043 0.000 1.119 1013 L CA 0.303 55.119 54.840 -0.039 0.000 0.809 1013 L CB -0.508 41.516 42.059 -0.058 0.000 0.933 1013 L HN 0.487 nan 8.230 nan 0.000 0.449 1014 G N -0.575 108.206 108.800 -0.031 0.000 2.736 1014 G HA2 0.258 4.217 3.960 -0.002 0.000 0.229 1014 G HA3 0.258 4.217 3.960 -0.002 0.000 0.229 1014 G C -1.961 172.936 174.900 -0.004 0.000 1.380 1014 G CA -0.547 44.542 45.100 -0.018 0.000 1.040 1014 G HN -0.130 nan 8.290 nan 0.000 0.568 1015 P HA -0.002 nan 4.420 nan 0.000 0.215 1015 P C 0.216 177.605 177.300 0.149 0.000 1.157 1015 P CA 1.202 64.349 63.100 0.077 0.000 0.874 1015 P CB 0.253 31.971 31.700 0.030 0.000 0.790 1016 E N -1.142 119.106 120.200 0.079 0.000 2.369 1016 E HA 0.178 4.527 4.350 -0.002 0.000 0.270 1016 E C -0.292 176.340 176.600 0.053 0.000 0.909 1016 E CA -0.664 55.793 56.400 0.095 0.000 0.775 1016 E CB 1.465 31.200 29.700 0.059 0.000 1.270 1016 E HN 0.284 nan 8.360 nan 0.000 0.445 1017 E N 1.054 121.287 120.200 0.055 0.000 2.345 1017 E HA 0.276 4.624 4.350 -0.002 0.000 0.259 1017 E C -0.383 176.254 176.600 0.063 0.000 1.117 1017 E CA -0.675 55.746 56.400 0.035 0.000 0.913 1017 E CB 0.615 30.324 29.700 0.016 0.000 1.057 1017 E HN 0.122 nan 8.360 nan 0.000 0.432 1018 N N 1.288 120.021 118.700 0.054 0.000 2.458 1018 N HA 0.035 4.773 4.740 -0.002 0.000 0.270 1018 N C 0.008 175.585 175.510 0.112 0.000 1.102 1018 N CA -0.180 52.920 53.050 0.083 0.000 0.967 1018 N CB 0.457 38.978 38.487 0.058 0.000 1.078 1018 N HN 0.521 nan 8.380 nan 0.000 0.471 1019 F N 2.707 122.655 119.950 -0.004 0.000 2.087 1019 F HA -0.165 4.360 4.527 -0.002 0.000 0.299 1019 F C 1.557 177.351 175.800 -0.010 0.000 1.100 1019 F CA 1.645 59.640 58.000 -0.008 0.000 1.226 1019 F CB 0.126 39.120 39.000 -0.009 0.000 0.983 1019 F HN 0.501 nan 8.300 nan 0.000 0.479 1020 L N -0.644 120.630 121.223 0.084 0.000 2.592 1020 L HA 0.113 4.452 4.340 -0.002 0.000 0.227 1020 L C 0.958 177.813 176.870 -0.024 0.000 1.127 1020 L CA 0.043 54.877 54.840 -0.011 0.000 0.884 1020 L CB -0.563 41.551 42.059 0.091 0.000 1.065 1020 L HN 0.020 nan 8.230 nan 0.000 0.457 1021 S N 0.499 116.189 115.700 -0.017 0.000 2.455 1021 S HA 0.192 4.660 4.470 -0.002 0.000 0.278 1021 S C 1.318 175.903 174.600 -0.026 0.000 1.216 1021 S CA -0.522 57.676 58.200 -0.005 0.000 1.055 1021 S CB 0.535 63.742 63.200 0.011 0.000 0.939 1021 S HN 0.274 nan 8.310 nan 0.000 0.494 1022 L N 3.644 124.865 121.223 -0.004 0.000 2.083 1022 L HA -0.077 4.262 4.340 -0.002 0.000 0.209 1022 L C 2.353 179.228 176.870 0.008 0.000 1.083 1022 L CA 1.540 56.376 54.840 -0.006 0.000 0.752 1022 L CB -0.559 41.516 42.059 0.026 0.000 0.899 1022 L HN 0.634 nan 8.230 nan 0.000 0.433 1023 D N 0.061 120.486 120.400 0.043 0.000 2.144 1023 D HA -0.202 4.437 4.640 -0.002 0.000 0.199 1023 D C 1.715 178.000 176.300 -0.025 0.000 0.984 1023 D CA 1.160 55.208 54.000 0.080 0.000 0.834 1023 D CB 0.118 41.007 40.800 0.148 0.000 0.955 1023 D HN 0.191 nan 8.370 nan 0.000 0.465 1024 D N -0.375 120.009 120.400 -0.026 0.000 2.178 1024 D HA -0.065 4.573 4.640 -0.002 0.000 0.202 1024 D C 2.172 178.434 176.300 -0.064 0.000 0.974 1024 D CA 0.431 54.398 54.000 -0.055 0.000 0.841 1024 D CB -0.124 40.663 40.800 -0.021 0.000 0.953 1024 D HN 0.377 nan 8.370 nan 0.000 0.478 1025 I N 0.422 120.953 120.570 -0.065 0.000 2.315 1025 I HA -0.209 3.959 4.170 -0.002 0.000 0.248 1025 I C 2.246 178.351 176.117 -0.019 0.000 1.117 1025 I CA 0.641 61.901 61.300 -0.067 0.000 1.404 1025 I CB -0.042 37.887 38.000 -0.119 0.000 1.071 1025 I HN -0.025 nan 8.210 nan 0.000 0.419 1026 L N -0.393 120.806 121.223 -0.041 0.000 2.109 1026 L HA -0.182 4.157 4.340 -0.002 0.000 0.207 1026 L C 2.598 179.443 176.870 -0.041 0.000 1.086 1026 L CA 0.755 55.592 54.840 -0.005 0.000 0.760 1026 L CB -0.466 41.618 42.059 0.041 0.000 0.910 1026 L HN 0.346 nan 8.230 nan 0.000 0.437 1027 M N 0.440 119.862 119.600 -0.296 0.000 2.067 1027 M HA -0.158 4.321 4.480 -0.002 0.000 0.260 1027 M C 2.340 178.710 176.300 0.117 0.000 1.069 1027 M CA 2.422 57.525 55.300 -0.330 0.000 1.117 1027 M CB -0.501 31.829 32.600 -0.450 0.000 1.334 1027 M HN 0.327 nan 8.290 nan 0.000 0.407 1028 S N -1.441 114.333 115.700 0.124 0.000 2.660 1028 S HA -0.141 4.327 4.470 -0.002 0.000 0.228 1028 S C 1.402 176.251 174.600 0.414 0.000 0.966 1028 S CA 0.948 59.291 58.200 0.237 0.000 0.940 1028 S CB -1.019 62.300 63.200 0.198 0.000 0.773 1028 S HN 0.739 nan 8.310 nan 0.000 0.535 1029 H N 1.341 120.571 119.070 0.267 0.000 2.547 1029 H HA 0.296 4.850 4.556 -0.002 0.000 0.272 1029 H C 0.365 175.818 175.328 0.207 0.000 0.971 1029 H CA 0.227 56.455 56.048 0.300 0.000 1.245 1029 H CB -0.006 29.867 29.762 0.185 0.000 1.440 1029 H HN 0.493 nan 8.280 nan 0.000 0.540 1030 E N 1.702 121.997 120.200 0.159 0.000 2.442 1030 E HA -0.001 4.348 4.350 -0.002 0.000 0.262 1030 E C -0.182 176.433 176.600 0.025 0.000 1.004 1030 E CA 0.191 56.604 56.400 0.023 0.000 0.928 1030 E CB 0.816 30.477 29.700 -0.065 0.000 0.937 1030 E HN 0.369 nan 8.360 nan 0.000 0.446 1031 K N 1.522 121.871 120.400 -0.085 0.000 2.258 1031 K HA 0.299 4.618 4.320 -0.002 0.000 0.264 1031 K C -0.599 176.020 176.600 0.032 0.000 1.007 1031 K CA -0.402 55.853 56.287 -0.052 0.000 0.941 1031 K CB 0.445 32.899 32.500 -0.077 0.000 0.966 1031 K HN 0.188 nan 8.250 nan 0.000 0.480 1032 L N 3.189 124.429 121.223 0.028 0.000 2.455 1032 L HA 0.393 4.732 4.340 -0.002 0.000 0.264 1032 L C -2.774 174.064 176.870 -0.054 0.000 0.968 1032 L CA -2.151 52.710 54.840 0.035 0.000 0.827 1032 L CB 2.110 44.190 42.059 0.035 0.000 1.317 1032 L HN 0.367 nan 8.230 nan 0.000 0.407 1033 P HA 0.334 nan 4.420 nan 0.000 0.271 1033 P C -1.278 175.954 177.300 -0.114 0.000 1.226 1033 P CA 0.036 63.096 63.100 -0.067 0.000 0.765 1033 P CB 0.932 32.606 31.700 -0.043 0.000 0.835 1034 V N 4.134 123.988 119.914 -0.101 0.000 3.114 1034 V HA 0.561 4.679 4.120 -0.002 0.000 0.308 1034 V C -0.256 175.787 176.094 -0.085 0.000 1.168 1034 V CA -0.819 61.414 62.300 -0.113 0.000 1.015 1034 V CB 2.791 34.537 31.823 -0.128 0.000 1.050 1034 V HN 0.380 nan 8.190 nan 0.000 0.433 1035 R N 1.371 121.829 120.500 -0.070 0.000 2.502 1035 R HA 0.555 4.894 4.340 -0.002 0.000 0.300 1035 R C -0.222 176.043 176.300 -0.057 0.000 0.984 1035 R CA -0.268 55.795 56.100 -0.061 0.000 0.882 1035 R CB 1.760 32.035 30.300 -0.041 0.000 1.180 1035 R HN 0.987 nan 8.270 nan 0.000 0.444 1036 T N 0.726 115.233 114.554 -0.077 0.000 2.940 1036 T HA 0.104 4.452 4.350 -0.002 0.000 0.309 1036 T C 0.485 175.156 174.700 -0.048 0.000 1.056 1036 T CA -0.370 61.687 62.100 -0.072 0.000 1.137 1036 T CB 1.081 69.889 68.868 -0.100 0.000 0.976 1036 T HN 0.571 nan 8.240 nan 0.000 0.547 1037 E N 1.277 121.454 120.200 -0.038 0.000 2.538 1037 E HA 0.222 4.571 4.350 -0.002 0.000 0.207 1037 E C -0.130 176.451 176.600 -0.031 0.000 1.002 1037 E CA -0.056 56.325 56.400 -0.031 0.000 0.952 1037 E CB 0.811 30.494 29.700 -0.028 0.000 1.031 1037 E HN 0.824 nan 8.360 nan 0.000 0.476 1038 T N -0.080 114.454 114.554 -0.035 0.000 2.830 1038 T HA 0.489 4.837 4.350 -0.002 0.000 0.322 1038 T C -0.900 173.779 174.700 -0.034 0.000 1.501 1038 T CA -0.649 61.433 62.100 -0.029 0.000 1.036 1038 T CB 1.922 70.775 68.868 -0.025 0.000 1.379 1038 T HN 0.062 nan 8.240 nan 0.000 0.493 1039 A N 2.118 124.922 122.820 -0.026 0.000 2.351 1039 A HA 0.762 5.081 4.320 -0.002 0.000 0.257 1039 A C -0.127 177.445 177.584 -0.020 0.000 1.087 1039 A CA -0.298 51.723 52.037 -0.026 0.000 0.798 1039 A CB 0.042 19.032 19.000 -0.018 0.000 1.033 1039 A HN 0.789 nan 8.150 nan 0.000 0.488 1040 M N 2.791 122.379 119.600 -0.019 0.000 1.999 1040 M HA 0.250 4.729 4.480 -0.002 0.000 0.299 1040 M C -2.645 173.665 176.300 0.017 0.000 0.900 1040 M CA -1.557 53.744 55.300 0.001 0.000 0.904 1040 M CB 1.638 34.236 32.600 -0.004 0.000 1.477 1040 M HN 0.325 nan 8.290 nan 0.000 0.403 1041 P HA 0.065 nan 4.420 nan 0.000 0.265 1041 P C -0.605 176.709 177.300 0.024 0.000 1.193 1041 P CA 0.350 63.460 63.100 0.016 0.000 0.765 1041 P CB 0.382 32.090 31.700 0.013 0.000 0.823 1042 R N 1.653 122.158 120.500 0.007 0.000 3.422 1042 R HA -0.176 4.162 4.340 -0.002 0.000 0.267 1042 R C 0.092 176.381 176.300 -0.019 0.000 1.074 1042 R CA 0.298 56.391 56.100 -0.012 0.000 0.718 1042 R CB -2.479 27.822 30.300 0.001 0.000 1.157 1042 R HN 0.491 nan 8.270 nan 0.000 0.440 1043 L N -3.237 117.990 121.223 0.006 0.000 3.467 1043 L HA 0.183 4.521 4.340 -0.002 0.000 0.315 1043 L C 2.151 179.095 176.870 0.123 0.000 1.184 1043 L CA 0.502 55.385 54.840 0.071 0.000 1.124 1043 L CB 0.469 42.681 42.059 0.256 0.000 1.585 1043 L HN 0.376 nan 8.230 nan 0.000 0.617 1044 G N 0.671 109.516 108.800 0.074 0.000 2.479 1044 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.220 1044 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.220 1044 G C 1.614 176.549 174.900 0.058 0.000 1.115 1044 G CA 0.991 46.167 45.100 0.127 0.000 0.757 1044 G HN 0.403 nan 8.290 nan 0.000 0.560 1045 A N 0.296 123.021 122.820 -0.159 0.000 2.019 1045 A HA 0.137 4.456 4.320 -0.002 0.000 0.219 1045 A C 1.828 179.266 177.584 -0.244 0.000 1.164 1045 A CA 1.056 52.933 52.037 -0.267 0.000 0.644 1045 A CB -0.385 18.341 19.000 -0.456 0.000 0.805 1045 A HN 0.307 nan 8.150 nan 0.000 0.449 1046 F N -1.888 118.004 119.950 -0.097 0.000 2.789 1046 F HA 0.358 4.884 4.527 -0.002 0.000 0.300 1046 F C 0.123 175.412 175.800 -0.853 0.000 1.132 1046 F CA -0.474 57.230 58.000 -0.494 0.000 1.404 1046 F CB -0.350 38.229 39.000 -0.701 0.000 1.114 1046 F HN 0.091 nan 8.300 nan 0.000 0.584 1058 N N 0.813 119.506 118.700 -0.012 0.000 2.741 1058 N HA -0.209 4.530 4.740 -0.002 0.000 0.250 1058 N C 0.059 175.562 175.510 -0.012 0.000 1.115 1058 N CA 0.893 53.932 53.050 -0.019 0.000 0.724 1058 N CB -0.842 37.624 38.487 -0.036 0.000 1.090 1058 N HN 0.441 nan 8.380 nan 0.000 0.558 1059 A N -0.389 122.430 122.820 -0.003 0.000 2.346 1059 A HA 0.486 4.805 4.320 -0.002 0.000 0.255 1059 A C 0.530 178.119 177.584 0.009 0.000 1.113 1059 A CA 0.072 52.112 52.037 0.004 0.000 0.798 1059 A CB 0.724 19.724 19.000 0.000 0.000 1.073 1059 A HN 0.195 nan 8.150 nan 0.000 0.502 1060 V N 2.252 122.167 119.914 0.002 0.000 2.347 1060 V HA 0.289 4.407 4.120 -0.002 0.000 0.280 1060 V C -2.208 173.862 176.094 -0.039 0.000 1.021 1060 V CA -1.360 60.927 62.300 -0.021 0.000 0.847 1060 V CB 0.945 32.720 31.823 -0.079 0.000 0.990 1060 V HN 0.740 nan 8.190 nan 0.000 0.444 1061 P HA 0.016 nan 4.420 nan 0.000 0.267 1061 P C -0.365 176.908 177.300 -0.045 0.000 1.195 1061 P CA 0.043 63.125 63.100 -0.030 0.000 0.773 1061 P CB 0.348 32.035 31.700 -0.022 0.000 0.837 1062 Q N 1.182 120.960 119.800 -0.036 0.000 2.317 1062 Q HA 0.428 4.767 4.340 -0.002 0.000 0.229 1062 Q C 0.890 176.866 176.000 -0.039 0.000 0.984 1062 Q CA -0.261 55.518 55.803 -0.041 0.000 0.911 1062 Q CB -0.034 28.686 28.738 -0.030 0.000 1.217 1062 Q HN 0.694 nan 8.270 nan 0.000 0.501 1063 G N 0.962 109.737 108.800 -0.042 0.000 2.166 1063 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.260 1063 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.260 1063 G C -0.189 174.685 174.900 -0.042 0.000 0.986 1063 G CA 0.311 45.389 45.100 -0.037 0.000 0.683 1063 G HN 0.622 nan 8.290 nan 0.000 0.527 1064 S N 0.255 115.919 115.700 -0.060 0.000 2.564 1064 S HA 0.401 4.869 4.470 -0.002 0.000 0.278 1064 S C 0.566 175.123 174.600 -0.072 0.000 1.333 1064 S CA -0.142 58.019 58.200 -0.066 0.000 1.048 1064 S CB 1.028 64.172 63.200 -0.094 0.000 0.900 1064 S HN 0.417 nan 8.310 nan 0.000 0.505 1065 K N 2.925 123.296 120.400 -0.049 0.000 2.284 1065 K HA 0.420 4.738 4.320 -0.002 0.000 0.287 1065 K C -0.757 175.817 176.600 -0.043 0.000 1.081 1065 K CA -0.014 56.247 56.287 -0.043 0.000 0.910 1065 K CB 0.332 32.819 32.500 -0.021 0.000 1.088 1065 K HN 0.432 nan 8.250 nan 0.000 0.478 1066 L N 2.037 123.220 121.223 -0.066 0.000 2.333 1066 L HA 0.408 4.747 4.340 -0.002 0.000 0.263 1066 L C -0.255 176.599 176.870 -0.026 0.000 1.014 1066 L CA -0.931 53.879 54.840 -0.050 0.000 0.820 1066 L CB 2.218 44.174 42.059 -0.172 0.000 1.352 1066 L HN 0.507 nan 8.230 nan 0.000 0.421 1067 E N 2.898 123.114 120.200 0.027 0.000 2.101 1067 E HA 0.507 4.855 4.350 -0.002 0.000 0.260 1067 E C -1.304 175.302 176.600 0.011 0.000 0.897 1067 E CA -0.288 56.114 56.400 0.004 0.000 0.744 1067 E CB 1.666 31.372 29.700 0.010 0.000 1.140 1067 E HN 0.332 nan 8.360 nan 0.000 0.419 1068 L N 4.403 125.598 121.223 -0.047 0.000 2.334 1068 L HA 0.512 4.850 4.340 -0.002 0.000 0.273 1068 L C -2.126 174.640 176.870 -0.174 0.000 1.013 1068 L CA -2.517 52.264 54.840 -0.099 0.000 0.816 1068 L CB 1.542 43.520 42.059 -0.135 0.000 1.278 1068 L HN 0.278 nan 8.230 nan 0.000 0.431 1069 P HA -0.049 nan 4.420 nan 0.000 0.269 1069 P C 0.615 177.728 177.300 -0.312 0.000 1.209 1069 P CA -0.340 62.566 63.100 -0.322 0.000 0.776 1069 P CB 1.127 32.549 31.700 -0.464 0.000 0.876 1070 L N 4.123 125.322 121.223 -0.041 0.000 2.081 1070 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 1070 L C 2.303 179.180 176.870 0.012 0.000 1.080 1070 L CA 1.804 56.650 54.840 0.011 0.000 0.754 1070 L CB -1.401 40.665 42.059 0.012 0.000 0.893 1070 L HN 0.559 nan 8.230 nan 0.000 0.433 1071 W N -1.386 119.952 121.300 0.063 0.000 2.358 1071 W HA -0.202 4.457 4.660 -0.002 0.000 0.303 1071 W C 1.965 178.532 176.519 0.080 0.000 1.208 1071 W CA 0.793 58.173 57.345 0.059 0.000 1.274 1071 W CB -1.212 28.278 29.460 0.050 0.000 1.138 1071 W HN 0.246 nan 8.180 nan 0.000 0.515 1072 L N 2.702 123.433 121.223 -0.821 0.000 2.027 1072 L HA 0.042 4.381 4.340 -0.002 0.000 0.206 1072 L C 2.863 179.622 176.870 -0.185 0.000 1.074 1072 L CA 3.065 57.505 54.840 -0.667 0.000 0.745 1072 L CB -1.370 40.017 42.059 -1.120 0.000 0.898 1072 L HN 0.032 nan 8.230 nan 0.000 0.433 1073 A N -0.529 122.194 122.820 -0.162 0.000 1.892 1073 A HA -0.287 4.031 4.320 -0.002 0.000 0.218 1073 A C 2.356 180.089 177.584 0.249 0.000 1.188 1073 A CA 2.219 54.272 52.037 0.026 0.000 0.631 1073 A CB -0.590 18.393 19.000 -0.028 0.000 0.822 1073 A HN 0.506 nan 8.150 nan 0.000 0.447 1074 K N -1.097 119.445 120.400 0.236 0.000 2.032 1074 K HA -0.127 4.191 4.320 -0.002 0.000 0.209 1074 K C 2.193 178.918 176.600 0.208 0.000 1.048 1074 K CA 1.212 57.620 56.287 0.201 0.000 0.927 1074 K CB -0.558 32.002 32.500 0.101 0.000 0.712 1074 K HN 0.486 nan 8.250 nan 0.000 0.441 1075 G N 1.304 110.214 108.800 0.183 0.000 2.440 1075 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.218 1075 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.218 1075 G C 1.348 176.336 174.900 0.146 0.000 1.154 1075 G CA 0.713 45.914 45.100 0.169 0.000 0.767 1075 G HN 0.146 nan 8.290 nan 0.000 0.552 1076 L N -0.776 120.533 121.223 0.143 0.000 2.591 1076 L HA 0.350 4.689 4.340 -0.002 0.000 0.228 1076 L C 0.818 177.776 176.870 0.147 0.000 1.133 1076 L CA -0.631 54.276 54.840 0.113 0.000 0.880 1076 L CB -0.108 41.994 42.059 0.072 0.000 1.033 1076 L HN 0.133 nan 8.230 nan 0.000 0.450 1077 F N 1.866 121.865 119.950 0.082 0.000 2.370 1077 F HA 0.374 4.900 4.527 -0.002 0.000 0.324 1077 F C 0.029 175.865 175.800 0.060 0.000 1.116 1077 F CA -0.791 57.272 58.000 0.105 0.000 1.123 1077 F CB 0.889 40.037 39.000 0.248 0.000 1.238 1077 F HN 0.115 nan 8.300 nan 0.000 0.536 1078 D N 0.859 120.626 120.400 -1.055 0.000 2.663 1078 D HA 0.176 4.815 4.640 -0.002 0.000 0.233 1078 D C -0.386 175.316 176.300 -0.997 0.000 1.240 1078 D CA -0.745 52.858 54.000 -0.661 0.000 0.774 1078 D CB 0.535 41.144 40.800 -0.319 0.000 1.443 1078 D HN 0.510 nan 8.370 nan 0.000 0.441 1079 N N -0.182 118.273 118.700 -0.408 0.000 2.096 1079 N HA -0.206 4.532 4.740 -0.002 0.000 0.195 1079 N C 0.007 175.379 175.510 -0.231 0.000 1.017 1079 N CA 1.104 54.035 53.050 -0.199 0.000 0.870 1079 N CB -0.105 38.348 38.487 -0.057 0.000 1.024 1079 N HN 0.349 nan 8.380 nan 0.000 0.434 1080 K N 0.753 121.004 120.400 -0.249 0.000 2.126 1080 K HA 0.221 4.540 4.320 -0.002 0.000 0.257 1080 K C 0.278 176.745 176.600 -0.222 0.000 1.007 1080 K CA -0.325 55.859 56.287 -0.172 0.000 0.928 1080 K CB 0.763 33.190 32.500 -0.122 0.000 1.013 1080 K HN 0.050 nan 8.250 nan 0.000 0.473 1081 R N 1.776 122.204 120.500 -0.120 0.000 2.541 1081 R HA 0.028 4.366 4.340 -0.002 0.000 0.245 1081 R C 1.209 177.458 176.300 -0.086 0.000 1.154 1081 R CA 0.048 56.094 56.100 -0.089 0.000 1.179 1081 R CB -0.229 30.051 30.300 -0.033 0.000 1.189 1081 R HN 0.470 nan 8.270 nan 0.000 0.526 1082 R N 0.530 120.961 120.500 -0.114 0.000 2.143 1082 R HA -0.206 4.133 4.340 -0.002 0.000 0.239 1082 R C 1.736 178.000 176.300 -0.060 0.000 1.126 1082 R CA 1.849 57.899 56.100 -0.083 0.000 0.927 1082 R CB -0.251 29.993 30.300 -0.093 0.000 0.860 1082 R HN 0.272 nan 8.270 nan 0.000 0.433 1083 I N -1.012 119.521 120.570 -0.062 0.000 3.194 1083 I HA 0.073 4.242 4.170 -0.002 0.000 0.271 1083 I C 0.071 176.175 176.117 -0.021 0.000 1.150 1083 I CA 0.161 61.441 61.300 -0.033 0.000 1.440 1083 I CB 0.290 38.280 38.000 -0.017 0.000 1.276 1083 I HN -0.049 nan 8.210 nan 0.000 0.457 1084 L N -0.037 121.187 121.223 0.002 0.000 2.350 1084 L HA 0.420 4.759 4.340 -0.002 0.000 0.260 1084 L C -0.367 176.566 176.870 0.105 0.000 1.015 1084 L CA -0.385 54.482 54.840 0.045 0.000 0.821 1084 L CB 1.970 44.079 42.059 0.084 0.000 1.370 1084 L HN 0.012 nan 8.230 nan 0.000 0.416 1085 S N 0.080 115.829 115.700 0.081 0.000 2.605 1085 S HA 0.812 5.280 4.470 -0.002 0.000 0.308 1085 S C -0.735 173.880 174.600 0.024 0.000 1.113 1085 S CA -0.718 57.547 58.200 0.109 0.000 1.049 1085 S CB 1.316 64.542 63.200 0.044 0.000 1.001 1085 S HN 0.243 nan 8.310 nan 0.000 0.480 1086 V N 3.037 122.938 119.914 -0.022 0.000 2.567 1086 V HA 0.480 4.598 4.120 -0.002 0.000 0.289 1086 V C 0.343 176.289 176.094 -0.247 0.000 1.049 1086 V CA -0.510 61.599 62.300 -0.318 0.000 0.969 1086 V CB 1.406 32.666 31.823 -0.939 0.000 0.995 1086 V HN 0.998 nan 8.190 nan 0.000 0.471 1087 E N 3.353 123.412 120.200 -0.235 0.000 2.183 1087 E HA 0.504 4.853 4.350 -0.002 0.000 0.271 1087 E C -1.142 175.382 176.600 -0.127 0.000 0.919 1087 E CA -0.756 55.565 56.400 -0.133 0.000 0.781 1087 E CB 1.463 31.115 29.700 -0.079 0.000 1.140 1087 E HN 0.584 nan 8.360 nan 0.000 0.402 1088 L N 5.764 126.952 121.223 -0.058 0.000 2.367 1088 L HA 0.280 4.618 4.340 -0.002 0.000 0.275 1088 L C -2.037 174.881 176.870 0.079 0.000 1.129 1088 L CA -1.846 52.998 54.840 0.008 0.000 0.839 1088 L CB 0.391 42.478 42.059 0.046 0.000 1.133 1088 L HN 0.431 nan 8.230 nan 0.000 0.453 1089 P HA -0.001 nan 4.420 nan 0.000 0.269 1089 P C 0.186 177.582 177.300 0.161 0.000 1.209 1089 P CA -0.268 62.930 63.100 0.163 0.000 0.776 1089 P CB 0.705 32.558 31.700 0.255 0.000 0.876 1090 K N 2.856 123.325 120.400 0.115 0.000 2.113 1090 K HA -0.153 4.166 4.320 -0.002 0.000 0.208 1090 K C 1.544 178.272 176.600 0.214 0.000 1.047 1090 K CA 1.656 58.047 56.287 0.173 0.000 0.928 1090 K CB -0.933 31.690 32.500 0.204 0.000 0.716 1090 K HN 0.383 nan 8.250 nan 0.000 0.446 1091 I N -0.412 120.133 120.570 -0.043 0.000 2.530 1091 I HA -0.250 3.919 4.170 -0.002 0.000 0.257 1091 I C 0.951 176.811 176.117 -0.429 0.000 1.179 1091 I CA 1.173 62.218 61.300 -0.426 0.000 1.440 1091 I CB -0.209 37.393 38.000 -0.663 0.000 1.087 1091 I HN 0.166 nan 8.210 nan 0.000 0.440 1092 Y N 0.197 120.512 120.300 0.024 0.000 2.507 1092 Y HA 0.255 4.804 4.550 -0.002 0.000 0.254 1092 Y C 1.162 177.078 175.900 0.028 0.000 1.171 1092 Y CA -0.380 57.720 58.100 0.000 0.000 1.238 1092 Y CB -0.008 38.441 38.460 -0.019 0.000 1.148 1092 Y HN 0.157 nan 8.280 nan 0.000 0.525 1093 Q N 0.480 120.379 119.800 0.165 0.000 2.237 1093 Q HA 0.026 4.365 4.340 -0.002 0.000 0.219 1093 Q C 1.373 177.429 176.000 0.093 0.000 0.999 1093 Q CA -0.238 55.639 55.803 0.123 0.000 0.959 1093 Q CB 0.886 29.692 28.738 0.112 0.000 1.173 1093 Q HN 0.335 nan 8.270 nan 0.000 0.527 1094 E N 0.517 120.754 120.200 0.062 0.000 2.114 1094 E HA -0.258 4.091 4.350 -0.002 0.000 0.199 1094 E C 1.560 178.172 176.600 0.019 0.000 1.008 1094 E CA 1.597 58.022 56.400 0.041 0.000 0.810 1094 E CB -0.301 29.416 29.700 0.027 0.000 0.739 1094 E HN 0.858 nan 8.360 nan 0.000 0.456 1095 G N 0.357 109.149 108.800 -0.014 0.000 2.511 1095 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.216 1095 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.216 1095 G C 1.123 175.949 174.900 -0.124 0.000 1.218 1095 G CA 0.902 45.935 45.100 -0.111 0.000 0.788 1095 G HN 0.453 nan 8.290 nan 0.000 0.560 1096 W N 1.697 122.976 121.300 -0.035 0.000 2.363 1096 W HA -0.042 4.617 4.660 -0.002 0.000 0.296 1096 W C 3.085 179.528 176.519 -0.127 0.000 1.212 1096 W CA 1.317 58.623 57.345 -0.065 0.000 1.260 1096 W CB 0.066 29.416 29.460 -0.184 0.000 1.131 1096 W HN 0.251 nan 8.180 nan 0.000 0.530 1097 R N -1.065 119.474 120.500 0.066 0.000 2.189 1097 R HA 0.008 4.347 4.340 -0.002 0.000 0.218 1097 R C 1.563 177.951 176.300 0.147 0.000 1.074 1097 R CA 1.621 57.740 56.100 0.032 0.000 0.991 1097 R CB -1.161 29.159 30.300 0.035 0.000 0.883 1097 R HN 0.006 nan 8.270 nan 0.000 0.457 1098 T N 1.091 115.712 114.554 0.110 0.000 2.851 1098 T HA 0.004 4.353 4.350 -0.002 0.000 0.262 1098 T C 1.983 176.760 174.700 0.130 0.000 1.043 1098 T CA 1.042 63.198 62.100 0.094 0.000 1.140 1098 T CB -0.026 68.863 68.868 0.034 0.000 0.872 1098 T HN 0.008 nan 8.240 nan 0.000 0.446 1099 V N 0.965 120.970 119.914 0.151 0.000 2.407 1099 V HA -0.105 4.013 4.120 -0.002 0.000 0.248 1099 V C 2.127 178.413 176.094 0.320 0.000 1.055 1099 V CA 1.473 63.882 62.300 0.180 0.000 1.049 1099 V CB -0.705 31.191 31.823 0.123 0.000 0.662 1099 V HN 0.364 nan 8.190 nan 0.000 0.455 1100 F N 0.282 120.316 119.950 0.140 0.000 2.171 1100 F HA -0.145 4.381 4.527 -0.002 0.000 0.300 1100 F C 2.793 178.646 175.800 0.088 0.000 1.090 1100 F CA 1.637 59.703 58.000 0.109 0.000 1.293 1100 F CB -1.007 38.059 39.000 0.110 0.000 1.013 1100 F HN 0.095 nan 8.300 nan 0.000 0.486 1101 S N -0.455 115.418 115.700 0.289 0.000 2.399 1101 S HA -0.156 4.313 4.470 -0.002 0.000 0.231 1101 S C 2.272 176.943 174.600 0.118 0.000 1.022 1101 S CA 1.018 59.325 58.200 0.180 0.000 0.983 1101 S CB -0.420 62.866 63.200 0.144 0.000 0.803 1101 S HN 0.310 nan 8.310 nan 0.000 0.480 1102 A N -0.067 122.814 122.820 0.102 0.000 1.929 1102 A HA 0.109 4.427 4.320 -0.002 0.000 0.216 1102 A C 0.806 178.416 177.584 0.044 0.000 1.176 1102 A CA 1.375 53.448 52.037 0.060 0.000 0.628 1102 A CB -0.069 18.959 19.000 0.046 0.000 0.816 1102 A HN 0.555 nan 8.150 nan 0.000 0.444 1103 D N -3.315 117.107 120.400 0.037 0.000 2.349 1103 D HA 0.244 4.882 4.640 -0.002 0.000 0.224 1103 D C -2.554 173.717 176.300 -0.047 0.000 1.323 1103 D CA -0.920 53.083 54.000 0.004 0.000 0.917 1103 D CB 0.770 41.566 40.800 -0.007 0.000 1.524 1103 D HN -0.138 nan 8.370 nan 0.000 0.505 1104 P HA -0.093 nan 4.420 nan 0.000 0.217 1104 P C 0.683 177.880 177.300 -0.171 0.000 1.148 1104 P CA 1.145 64.178 63.100 -0.111 0.000 0.828 1104 P CB 0.168 31.890 31.700 0.035 0.000 0.783 1105 N N -1.317 117.330 118.700 -0.089 0.000 2.459 1105 N HA -0.068 4.671 4.740 -0.002 0.000 0.181 1105 N C 1.510 176.954 175.510 -0.110 0.000 1.046 1105 N CA 0.055 53.057 53.050 -0.080 0.000 0.904 1105 N CB -0.356 38.111 38.487 -0.034 0.000 0.964 1105 N HN -0.040 nan 8.380 nan 0.000 0.444 1106 V N 0.719 120.558 119.914 -0.125 0.000 3.041 1106 V HA 0.032 4.150 4.120 -0.002 0.000 0.260 1106 V C 0.402 176.404 176.094 -0.154 0.000 1.105 1106 V CA 0.547 62.782 62.300 -0.107 0.000 1.125 1106 V CB 0.028 31.811 31.823 -0.066 0.000 0.730 1106 V HN -0.059 nan 8.190 nan 0.000 0.479 1107 V N 1.487 121.226 119.914 -0.291 0.000 2.546 1107 V HA 0.250 4.369 4.120 -0.002 0.000 0.284 1107 V C 0.101 176.013 176.094 -0.304 0.000 1.050 1107 V CA -0.491 61.577 62.300 -0.387 0.000 0.981 1107 V CB 1.427 32.709 31.823 -0.901 0.000 0.990 1107 V HN 0.343 nan 8.190 nan 0.000 0.474 1108 D N 4.139 124.400 120.400 -0.231 0.000 2.441 1108 D HA 0.185 4.824 4.640 -0.002 0.000 0.221 1108 D C 0.830 177.018 176.300 -0.186 0.000 1.156 1108 D CA -0.054 53.853 54.000 -0.156 0.000 0.896 1108 D CB 0.870 41.613 40.800 -0.095 0.000 1.028 1108 D HN 0.478 nan 8.370 nan 0.000 0.509 1109 L N 2.845 123.960 121.223 -0.181 0.000 2.610 1109 L HA -0.069 4.270 4.340 -0.002 0.000 0.232 1109 L C 1.666 178.502 176.870 -0.057 0.000 1.149 1109 L CA 0.278 55.008 54.840 -0.183 0.000 0.872 1109 L CB -0.330 41.622 42.059 -0.179 0.000 0.992 1109 L HN 0.474 nan 8.230 nan 0.000 0.447 1110 H N 0.452 119.460 119.070 -0.103 0.000 2.355 1110 H HA -0.044 4.510 4.556 -0.002 0.000 0.303 1110 H C 2.208 177.485 175.328 -0.084 0.000 1.061 1110 H CA 1.417 57.418 56.048 -0.079 0.000 1.368 1110 H CB 0.343 30.061 29.762 -0.075 0.000 1.412 1110 H HN 0.013 nan 8.280 nan 0.000 0.523 1111 K N -0.232 120.097 120.400 -0.118 0.000 2.097 1111 K HA -0.066 4.253 4.320 -0.002 0.000 0.205 1111 K C 1.650 178.127 176.600 -0.204 0.000 1.050 1111 K CA 1.617 57.806 56.287 -0.164 0.000 0.938 1111 K CB 0.072 32.521 32.500 -0.084 0.000 0.718 1111 K HN 0.381 nan 8.250 nan 0.000 0.442 1112 M N -0.247 119.223 119.600 -0.216 0.000 2.495 1112 M HA 0.059 4.538 4.480 -0.002 0.000 0.237 1112 M C 1.222 177.433 176.300 -0.147 0.000 1.131 1112 M CA -0.009 55.143 55.300 -0.247 0.000 1.032 1112 M CB 0.782 33.167 32.600 -0.358 0.000 1.513 1112 M HN 0.161 nan 8.290 nan 0.000 0.488 1113 G N 1.055 109.776 108.800 -0.131 0.000 3.374 1113 G HA2 0.191 4.150 3.960 -0.002 0.000 0.200 1113 G HA3 0.191 4.150 3.960 -0.002 0.000 0.200 1113 G C -1.902 172.934 174.900 -0.107 0.000 1.801 1113 G CA -0.184 44.894 45.100 -0.038 0.000 0.842 1113 G HN 0.084 nan 8.290 nan 0.000 0.688 1114 P HA 0.133 nan 4.420 nan 0.000 0.236 1114 P C -0.302 176.879 177.300 -0.198 0.000 1.177 1114 P CA 0.758 63.725 63.100 -0.221 0.000 0.773 1114 P CB 0.070 31.584 31.700 -0.310 0.000 0.878 1115 H N -1.848 117.288 119.070 0.110 0.000 2.423 1115 H HA 0.220 4.775 4.556 -0.002 0.000 0.227 1115 H C 0.832 176.296 175.328 0.227 0.000 1.596 1115 H CA -0.581 55.578 56.048 0.185 0.000 1.207 1115 H CB -0.820 29.050 29.762 0.181 0.000 1.595 1115 H HN -0.048 nan 8.280 nan 0.000 0.534 1116 F N 0.562 120.586 119.950 0.125 0.000 2.069 1116 F HA -0.287 4.239 4.527 -0.002 0.000 0.298 1116 F C 1.046 176.920 175.800 0.123 0.000 1.113 1116 F CA 1.706 59.739 58.000 0.055 0.000 1.214 1116 F CB -0.184 38.687 39.000 -0.215 0.000 0.978 1116 F HN 0.349 nan 8.300 nan 0.000 0.474 1117 Y N 0.021 120.400 120.300 0.130 0.000 2.220 1117 Y HA 0.007 4.556 4.550 -0.002 0.000 0.291 1117 Y C 2.779 178.650 175.900 -0.049 0.000 1.129 1117 Y CA 1.124 59.205 58.100 -0.031 0.000 1.161 1117 Y CB -1.277 37.216 38.460 0.056 0.000 0.997 1117 Y HN 0.128 nan 8.280 nan 0.000 0.522 1118 G N -0.449 108.481 108.800 0.217 0.000 2.433 1118 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.216 1118 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.216 1118 G C 1.580 176.499 174.900 0.033 0.000 1.186 1118 G CA 0.853 46.025 45.100 0.120 0.000 0.779 1118 G HN 0.380 nan 8.290 nan 0.000 0.543 1119 F N 2.165 122.091 119.950 -0.041 0.000 2.102 1119 F HA 0.030 4.556 4.527 -0.002 0.000 0.298 1119 F C 2.707 178.301 175.800 -0.344 0.000 1.105 1119 F CA 1.762 59.688 58.000 -0.123 0.000 1.239 1119 F CB -0.388 38.607 39.000 -0.009 0.000 0.991 1119 F HN 0.142 nan 8.300 nan 0.000 0.474 1120 G N -1.446 107.176 108.800 -0.298 0.000 2.450 1120 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.220 1120 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.220 1120 G C 1.778 176.391 174.900 -0.478 0.000 1.130 1120 G CA 1.018 45.660 45.100 -0.763 0.000 0.760 1120 G HN 0.458 nan 8.290 nan 0.000 0.557 1121 S N -0.417 115.098 115.700 -0.308 0.000 2.383 1121 S HA -0.079 4.390 4.470 -0.002 0.000 0.227 1121 S C 2.274 176.630 174.600 -0.405 0.000 1.026 1121 S CA 1.360 59.405 58.200 -0.258 0.000 0.981 1121 S CB -0.187 62.922 63.200 -0.151 0.000 0.818 1121 S HN 0.323 nan 8.310 nan 0.000 0.472 1122 Q N 0.426 119.923 119.800 -0.505 0.000 2.432 1122 Q HA 0.155 4.494 4.340 -0.002 0.000 0.205 1122 Q C 1.893 177.429 176.000 -0.773 0.000 0.945 1122 Q CA 0.272 55.620 55.803 -0.758 0.000 0.924 1122 Q CB -0.429 27.956 28.738 -0.588 0.000 1.016 1122 Q HN 0.521 nan 8.270 nan 0.000 0.503 1123 L N 0.227 121.097 121.223 -0.588 0.000 2.275 1123 L HA -0.046 4.293 4.340 -0.002 0.000 0.215 1123 L C 1.680 178.413 176.870 -0.228 0.000 1.119 1123 L CA 1.141 55.776 54.840 -0.343 0.000 0.790 1123 L CB -0.346 41.447 42.059 -0.443 0.000 0.919 1123 L HN 0.118 nan 8.230 nan 0.000 0.443 1124 L N -1.367 119.658 121.223 -0.330 0.000 2.456 1124 L HA -0.166 4.173 4.340 -0.002 0.000 0.224 1124 L C 1.829 178.609 176.870 -0.151 0.000 1.148 1124 L CA 0.657 55.381 54.840 -0.193 0.000 0.825 1124 L CB -0.859 41.107 42.059 -0.155 0.000 0.937 1124 L HN 0.432 nan 8.230 nan 0.000 0.450 1125 H N -1.161 117.622 119.070 -0.478 0.000 2.555 1125 H HA -0.012 4.543 4.556 -0.002 0.000 0.269 1125 H C 0.978 175.884 175.328 -0.702 0.000 0.988 1125 H CA 0.212 55.913 56.048 -0.578 0.000 1.178 1125 H CB 0.140 29.477 29.762 -0.708 0.000 1.373 1125 H HN 0.325 nan 8.280 nan 0.000 0.588 1126 F N 1.377 121.159 119.950 -0.279 0.000 2.660 1126 F HA 0.007 4.533 4.527 -0.002 0.000 0.297 1126 F C 0.484 176.176 175.800 -0.180 0.000 1.132 1126 F CA -0.441 57.181 58.000 -0.630 0.000 1.372 1126 F CB 0.022 38.548 39.000 -0.790 0.000 1.003 1126 F HN 0.133 nan 8.300 nan 0.000 0.524 1127 D N 0.497 120.935 120.400 0.065 0.000 2.745 1127 D HA -0.261 4.377 4.640 -0.002 0.000 0.225 1127 D C 0.128 176.491 176.300 0.104 0.000 1.212 1127 D CA 0.631 54.691 54.000 0.100 0.000 0.632 1127 D CB -1.189 39.700 40.800 0.147 0.000 0.994 1127 D HN 0.325 nan 8.370 nan 0.000 0.407 1128 S N -0.140 115.602 115.700 0.071 0.000 2.576 1128 S HA 0.329 4.798 4.470 -0.002 0.000 0.276 1128 S C -1.230 173.398 174.600 0.047 0.000 1.339 1128 S CA -0.960 57.275 58.200 0.058 0.000 1.039 1128 S CB 1.450 64.670 63.200 0.034 0.000 0.902 1128 S HN -0.019 nan 8.310 nan 0.000 0.516 1129 P HA -0.031 nan 4.420 nan 0.000 0.220 1129 P C 0.275 177.595 177.300 0.033 0.000 1.148 1129 P CA 1.063 64.186 63.100 0.038 0.000 0.803 1129 P CB 0.035 31.756 31.700 0.035 0.000 0.782 1130 E N -1.286 118.934 120.200 0.032 0.000 2.476 1130 E HA 0.013 4.362 4.350 -0.002 0.000 0.191 1130 E C 1.143 177.760 176.600 0.028 0.000 1.064 1130 E CA -0.175 56.244 56.400 0.033 0.000 0.866 1130 E CB -0.527 29.196 29.700 0.038 0.000 0.952 1130 E HN 0.212 nan 8.360 nan 0.000 0.492 1131 N N 1.990 120.702 118.700 0.021 0.000 2.061 1131 N HA -0.208 4.531 4.740 -0.002 0.000 0.193 1131 N C 1.790 177.308 175.510 0.015 0.000 1.030 1131 N CA 1.587 54.642 53.050 0.009 0.000 0.856 1131 N CB -0.314 38.177 38.487 0.007 0.000 1.023 1131 N HN 0.271 nan 8.380 nan 0.000 0.424 1132 A N 0.619 123.453 122.820 0.023 0.000 1.933 1132 A HA -0.138 4.180 4.320 -0.002 0.000 0.218 1132 A C 1.751 179.359 177.584 0.040 0.000 1.175 1132 A CA 1.708 53.762 52.037 0.029 0.000 0.628 1132 A CB -0.377 18.640 19.000 0.029 0.000 0.814 1132 A HN 0.171 nan 8.150 nan 0.000 0.444 1133 D N -0.149 120.277 120.400 0.043 0.000 2.149 1133 D HA -0.036 4.603 4.640 -0.002 0.000 0.201 1133 D C 1.865 178.206 176.300 0.069 0.000 0.972 1133 D CA 0.831 54.864 54.000 0.056 0.000 0.835 1133 D CB -0.289 40.543 40.800 0.054 0.000 0.966 1133 D HN 0.509 nan 8.370 nan 0.000 0.476 1134 I N 0.421 121.025 120.570 0.057 0.000 2.142 1134 I HA -0.269 3.900 4.170 -0.002 0.000 0.240 1134 I C 2.509 178.664 176.117 0.062 0.000 1.078 1134 I CA 0.935 62.272 61.300 0.062 0.000 1.343 1134 I CB -0.259 37.746 38.000 0.010 0.000 1.046 1134 I HN -0.042 nan 8.210 nan 0.000 0.405 1135 S N 0.106 115.829 115.700 0.038 0.000 2.359 1135 S HA -0.266 4.203 4.470 -0.002 0.000 0.224 1135 S C 2.126 176.779 174.600 0.088 0.000 1.035 1135 S CA 1.545 59.773 58.200 0.045 0.000 1.018 1135 S CB -0.228 62.989 63.200 0.027 0.000 0.876 1135 S HN 0.361 nan 8.310 nan 0.000 0.448 1136 Q N 0.616 120.468 119.800 0.088 0.000 2.124 1136 Q HA -0.072 4.267 4.340 -0.002 0.000 0.202 1136 Q C 2.464 178.554 176.000 0.150 0.000 0.977 1136 Q CA 1.554 57.420 55.803 0.106 0.000 0.850 1136 Q CB -0.773 28.017 28.738 0.086 0.000 0.901 1136 Q HN 0.623 nan 8.270 nan 0.000 0.429 1137 S N -0.016 115.779 115.700 0.157 0.000 2.368 1137 S HA -0.061 4.408 4.470 -0.002 0.000 0.224 1137 S C 2.065 176.852 174.600 0.312 0.000 1.029 1137 S CA 0.679 59.005 58.200 0.209 0.000 0.988 1137 S CB -0.116 63.185 63.200 0.168 0.000 0.838 1137 S HN 0.349 nan 8.310 nan 0.000 0.462 1138 L N 0.745 122.144 121.223 0.293 0.000 2.012 1138 L HA -0.101 4.238 4.340 -0.002 0.000 0.210 1138 L C 2.540 179.716 176.870 0.510 0.000 1.073 1138 L CA 1.107 56.198 54.840 0.419 0.000 0.748 1138 L CB -0.702 41.509 42.059 0.253 0.000 0.891 1138 L HN 0.359 nan 8.230 nan 0.000 0.431 1139 L N -0.366 121.056 121.223 0.331 0.000 2.017 1139 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 1139 L C 2.663 179.728 176.870 0.324 0.000 1.073 1139 L CA 1.772 56.792 54.840 0.299 0.000 0.745 1139 L CB -0.681 41.489 42.059 0.185 0.000 0.894 1139 L HN 0.219 nan 8.230 nan 0.000 0.432 1140 Q N -0.940 119.027 119.800 0.277 0.000 2.224 1140 Q HA -0.123 4.215 4.340 -0.002 0.000 0.203 1140 Q C 2.141 178.320 176.000 0.299 0.000 0.970 1140 Q CA 1.829 57.776 55.803 0.240 0.000 0.865 1140 Q CB -0.627 28.228 28.738 0.195 0.000 0.922 1140 Q HN 0.544 nan 8.270 nan 0.000 0.445 1141 T N 1.046 115.856 114.554 0.426 0.000 2.777 1141 T HA -0.104 4.245 4.350 -0.002 0.000 0.266 1141 T C 1.427 176.438 174.700 0.519 0.000 1.040 1141 T CA 0.904 63.294 62.100 0.482 0.000 1.141 1141 T CB -0.327 68.937 68.868 0.659 0.000 0.868 1141 T HN 0.203 nan 8.240 nan 0.000 0.444 1142 F N 1.698 121.920 119.950 0.454 0.000 2.134 1142 F HA 0.037 4.563 4.527 -0.002 0.000 0.299 1142 F C 1.964 177.889 175.800 0.208 0.000 1.097 1142 F CA 0.608 58.777 58.000 0.281 0.000 1.264 1142 F CB -0.588 38.433 39.000 0.036 0.000 1.001 1142 F HN 0.094 nan 8.300 nan 0.000 0.479 1143 I N -0.129 120.503 120.570 0.104 0.000 2.286 1143 I HA -0.244 3.925 4.170 -0.002 0.000 0.248 1143 I C 2.564 178.699 176.117 0.029 0.000 1.115 1143 I CA 1.476 62.755 61.300 -0.034 0.000 1.392 1143 I CB -1.164 36.859 38.000 0.037 0.000 1.065 1143 I HN 0.287 nan 8.210 nan 0.000 0.418 1144 G N 0.837 109.695 108.800 0.097 0.000 2.572 1144 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.216 1144 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.216 1144 G C 1.578 176.521 174.900 0.071 0.000 1.133 1144 G CA -0.009 45.145 45.100 0.090 0.000 0.791 1144 G HN 0.386 nan 8.290 nan 0.000 0.538 1145 R N -0.702 119.842 120.500 0.072 0.000 2.397 1145 R HA 0.263 4.602 4.340 -0.002 0.000 0.241 1145 R C 1.753 178.050 176.300 -0.004 0.000 0.914 1145 R CA -0.441 55.689 56.100 0.050 0.000 1.071 1145 R CB -0.419 29.943 30.300 0.103 0.000 1.116 1145 R HN 0.295 nan 8.270 nan 0.000 0.524 1146 F N 3.165 122.978 119.950 -0.229 0.000 2.069 1146 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 1146 F C 2.509 178.230 175.800 -0.132 0.000 1.113 1146 F CA 1.708 59.525 58.000 -0.304 0.000 1.214 1146 F CB -0.037 38.708 39.000 -0.426 0.000 0.978 1146 F HN -0.147 nan 8.300 nan 0.000 0.474 1147 R N 0.740 121.125 120.500 -0.193 0.000 2.081 1147 R HA -0.175 4.164 4.340 -0.002 0.000 0.235 1147 R C 2.385 178.562 176.300 -0.205 0.000 1.131 1147 R CA 1.918 57.871 56.100 -0.244 0.000 0.960 1147 R CB -0.786 29.515 30.300 0.001 0.000 0.856 1147 R HN 0.314 nan 8.270 nan 0.000 0.436 1148 R N 0.076 120.519 120.500 -0.095 0.000 2.105 1148 R HA -0.003 4.336 4.340 -0.002 0.000 0.239 1148 R C 2.115 178.388 176.300 -0.045 0.000 1.135 1148 R CA 1.852 57.932 56.100 -0.033 0.000 0.967 1148 R CB -0.441 29.859 30.300 -0.001 0.000 0.861 1148 R HN 0.381 nan 8.270 nan 0.000 0.442 1149 I N -0.285 120.228 120.570 -0.095 0.000 2.252 1149 I HA -0.238 3.931 4.170 -0.002 0.000 0.245 1149 I C 2.506 178.542 176.117 -0.134 0.000 1.102 1149 I CA 1.290 62.578 61.300 -0.020 0.000 1.385 1149 I CB -0.219 37.778 38.000 -0.005 0.000 1.064 1149 I HN 0.331 nan 8.210 nan 0.000 0.414 1150 M N 0.617 119.986 119.600 -0.384 0.000 2.156 1150 M HA -0.197 4.282 4.480 -0.002 0.000 0.264 1150 M C 1.697 177.835 176.300 -0.271 0.000 1.067 1150 M CA 1.843 56.901 55.300 -0.404 0.000 1.131 1150 M CB -0.131 32.086 32.600 -0.638 0.000 1.368 1150 M HN 0.111 nan 8.290 nan 0.000 0.416 1151 D N 0.125 120.387 120.400 -0.229 0.000 2.084 1151 D HA -0.130 4.508 4.640 -0.002 0.000 0.194 1151 D C 2.048 178.250 176.300 -0.164 0.000 0.990 1151 D CA 1.786 55.651 54.000 -0.225 0.000 0.826 1151 D CB -0.356 40.351 40.800 -0.155 0.000 0.971 1151 D HN 0.337 nan 8.370 nan 0.000 0.453 1152 S N 0.445 116.124 115.700 -0.034 0.000 2.356 1152 S HA -0.156 4.312 4.470 -0.002 0.000 0.223 1152 S C 2.158 176.775 174.600 0.028 0.000 1.032 1152 S CA 1.561 59.816 58.200 0.092 0.000 1.005 1152 S CB -0.373 62.987 63.200 0.268 0.000 0.867 1152 S HN 0.407 nan 8.310 nan 0.000 0.449 1153 S N 1.639 117.231 115.700 -0.180 0.000 2.419 1153 S HA -0.117 4.352 4.470 -0.002 0.000 0.233 1153 S C 1.439 175.805 174.600 -0.390 0.000 1.016 1153 S CA 0.869 58.625 58.200 -0.740 0.000 0.974 1153 S CB -0.419 62.257 63.200 -0.873 0.000 0.786 1153 S HN 0.566 nan 8.310 nan 0.000 0.492 1154 Q N 0.804 120.456 119.800 -0.248 0.000 2.220 1154 Q HA 0.259 4.598 4.340 -0.002 0.000 0.205 1154 Q C -0.153 175.763 176.000 -0.140 0.000 0.865 1154 Q CA -0.187 55.506 55.803 -0.183 0.000 0.960 1154 Q CB -0.136 28.492 28.738 -0.183 0.000 1.097 1154 Q HN 0.640 nan 8.270 nan 0.000 0.493 1155 N N 0.675 119.305 118.700 -0.117 0.000 2.707 1155 N HA -0.276 4.462 4.740 -0.002 0.000 0.253 1155 N C 0.403 175.837 175.510 -0.127 0.000 0.998 1155 N CA 0.601 53.607 53.050 -0.073 0.000 0.751 1155 N CB -0.690 37.783 38.487 -0.024 0.000 0.920 1155 N HN 0.449 nan 8.380 nan 0.000 0.539 1156 A N -0.443 122.213 122.820 -0.274 0.000 2.015 1156 A HA -0.041 4.278 4.320 -0.002 0.000 0.219 1156 A C 1.251 178.571 177.584 -0.441 0.000 1.163 1156 A CA 1.483 53.243 52.037 -0.462 0.000 0.646 1156 A CB -0.256 18.264 19.000 -0.800 0.000 0.806 1156 A HN 0.629 nan 8.150 nan 0.000 0.448 1157 Y N -1.249 119.052 120.300 0.002 0.000 2.612 1157 Y HA 0.180 4.729 4.550 -0.002 0.000 0.250 1157 Y C 0.398 176.304 175.900 0.010 0.000 1.175 1157 Y CA -0.451 57.651 58.100 0.005 0.000 1.205 1157 Y CB 0.432 38.893 38.460 0.002 0.000 1.201 1157 Y HN 0.306 nan 8.280 nan 0.000 0.532 1158 N N 1.484 120.250 118.700 0.109 0.000 2.725 1158 N HA -0.204 4.535 4.740 -0.002 0.000 0.249 1158 N C -0.741 174.819 175.510 0.084 0.000 1.103 1158 N CA 0.963 54.060 53.050 0.079 0.000 0.707 1158 N CB -1.220 37.310 38.487 0.071 0.000 1.043 1158 N HN 0.603 nan 8.380 nan 0.000 0.553 1159 E N 0.527 120.788 120.200 0.101 0.000 2.277 1159 E HA 0.204 4.552 4.350 -0.002 0.000 0.274 1159 E C -0.163 176.480 176.600 0.070 0.000 1.022 1159 E CA -0.722 55.730 56.400 0.087 0.000 0.853 1159 E CB 0.891 30.657 29.700 0.109 0.000 1.086 1159 E HN 0.085 nan 8.360 nan 0.000 0.397 1160 D N 0.840 121.270 120.400 0.050 0.000 2.383 1160 D HA -0.038 4.600 4.640 -0.002 0.000 0.252 1160 D C 0.868 177.193 176.300 0.042 0.000 1.166 1160 D CA 0.159 54.184 54.000 0.042 0.000 0.879 1160 D CB 0.917 41.731 40.800 0.023 0.000 1.164 1160 D HN 0.429 nan 8.370 nan 0.000 0.462 1161 T N -0.031 114.559 114.554 0.059 0.000 3.100 1161 T HA -0.029 4.320 4.350 -0.002 0.000 0.253 1161 T C 1.875 176.532 174.700 -0.071 0.000 1.118 1161 T CA 0.490 62.615 62.100 0.042 0.000 1.058 1161 T CB -0.070 68.922 68.868 0.208 0.000 0.953 1161 T HN 0.237 nan 8.240 nan 0.000 0.515 1162 S N 1.718 117.391 115.700 -0.046 0.000 2.365 1162 S HA -0.113 4.356 4.470 -0.002 0.000 0.225 1162 S C 2.435 176.974 174.600 -0.103 0.000 1.039 1162 S CA 1.496 59.650 58.200 -0.077 0.000 1.033 1162 S CB -0.942 62.233 63.200 -0.042 0.000 0.887 1162 S HN 0.771 nan 8.310 nan 0.000 0.447 1163 A N 0.794 123.569 122.820 -0.075 0.000 1.969 1163 A HA 0.039 4.358 4.320 -0.002 0.000 0.218 1163 A C 2.124 179.648 177.584 -0.100 0.000 1.169 1163 A CA 1.554 53.546 52.037 -0.075 0.000 0.635 1163 A CB -0.671 18.302 19.000 -0.046 0.000 0.810 1163 A HN 0.581 nan 8.150 nan 0.000 0.445 1164 L N -0.331 120.821 121.223 -0.118 0.000 2.072 1164 L HA -0.021 4.318 4.340 -0.002 0.000 0.205 1164 L C 2.281 179.012 176.870 -0.233 0.000 1.079 1164 L CA 1.720 56.474 54.840 -0.144 0.000 0.752 1164 L CB -0.576 41.411 42.059 -0.120 0.000 0.906 1164 L HN 0.102 nan 8.230 nan 0.000 0.436 1165 V N 0.570 120.272 119.914 -0.353 0.000 2.392 1165 V HA -0.295 3.823 4.120 -0.002 0.000 0.249 1165 V C 2.811 178.742 176.094 -0.272 0.000 1.059 1165 V CA 1.618 63.663 62.300 -0.425 0.000 1.051 1165 V CB -1.398 30.144 31.823 -0.469 0.000 0.658 1165 V HN 0.619 nan 8.190 nan 0.000 0.455 1166 A N -0.151 122.534 122.820 -0.226 0.000 2.067 1166 A HA -0.155 4.164 4.320 -0.002 0.000 0.219 1166 A C 2.242 179.724 177.584 -0.170 0.000 1.158 1166 A CA 1.384 53.283 52.037 -0.229 0.000 0.661 1166 A CB -0.361 18.538 19.000 -0.168 0.000 0.801 1166 A HN 0.578 nan 8.150 nan 0.000 0.452 1167 R N -0.990 119.439 120.500 -0.118 0.000 2.362 1167 R HA 0.352 4.691 4.340 -0.002 0.000 0.227 1167 R C -0.376 175.904 176.300 -0.033 0.000 0.905 1167 R CA -0.220 55.844 56.100 -0.061 0.000 1.067 1167 R CB 0.096 30.350 30.300 -0.077 0.000 1.078 1167 R HN 0.367 nan 8.270 nan 0.000 0.516 1168 L N 1.970 123.167 121.223 -0.043 0.000 2.375 1168 L HA 0.165 4.504 4.340 -0.002 0.000 0.271 1168 L C 0.395 177.319 176.870 0.091 0.000 1.107 1168 L CA -0.770 54.083 54.840 0.023 0.000 0.806 1168 L CB 0.578 42.627 42.059 -0.015 0.000 1.146 1168 L HN 0.147 nan 8.230 nan 0.000 0.447 1169 D N 1.814 122.307 120.400 0.155 0.000 2.354 1169 D HA -0.009 4.630 4.640 -0.002 0.000 0.247 1169 D C 0.679 177.065 176.300 0.143 0.000 1.138 1169 D CA -0.360 53.739 54.000 0.164 0.000 0.958 1169 D CB 1.141 42.094 40.800 0.254 0.000 1.144 1169 D HN 0.410 nan 8.370 nan 0.000 0.458 1170 E N 0.496 120.726 120.200 0.049 0.000 2.114 1170 E HA -0.209 4.140 4.350 -0.002 0.000 0.199 1170 E C 1.535 178.201 176.600 0.110 0.000 1.008 1170 E CA 1.011 57.426 56.400 0.026 0.000 0.810 1170 E CB -0.421 29.193 29.700 -0.143 0.000 0.739 1170 E HN 0.577 nan 8.360 nan 0.000 0.456 1171 M N 0.882 120.578 119.600 0.161 0.000 2.132 1171 M HA -0.153 4.326 4.480 -0.002 0.000 0.263 1171 M C 1.619 178.008 176.300 0.149 0.000 1.065 1171 M CA 1.628 57.008 55.300 0.135 0.000 1.122 1171 M CB -0.316 32.342 32.600 0.097 0.000 1.365 1171 M HN 0.021 nan 8.290 nan 0.000 0.411 1172 E N -0.267 120.063 120.200 0.217 0.000 2.106 1172 E HA -0.181 4.168 4.350 -0.002 0.000 0.192 1172 E C 2.106 178.840 176.600 0.223 0.000 0.984 1172 E CA 0.990 57.546 56.400 0.260 0.000 0.806 1172 E CB -0.113 29.771 29.700 0.306 0.000 0.750 1172 E HN 0.557 nan 8.360 nan 0.000 0.458 1173 R N 0.165 120.762 120.500 0.163 0.000 2.096 1173 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 1173 R C 2.492 178.911 176.300 0.199 0.000 1.127 1173 R CA 1.172 57.357 56.100 0.142 0.000 0.968 1173 R CB -0.414 29.928 30.300 0.070 0.000 0.861 1173 R HN 0.198 nan 8.270 nan 0.000 0.440 1174 G N 1.196 110.091 108.800 0.158 0.000 2.418 1174 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.217 1174 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.217 1174 G C 1.314 176.302 174.900 0.147 0.000 1.158 1174 G CA 0.300 45.483 45.100 0.138 0.000 0.771 1174 G HN 0.164 nan 8.290 nan 0.000 0.545 1175 L N -0.242 121.083 121.223 0.171 0.000 2.046 1175 L HA 0.124 4.463 4.340 -0.002 0.000 0.208 1175 L C 2.448 179.410 176.870 0.153 0.000 1.077 1175 L CA 1.590 56.532 54.840 0.169 0.000 0.747 1175 L CB -0.718 41.484 42.059 0.238 0.000 0.896 1175 L HN 0.244 nan 8.230 nan 0.000 0.432 1176 F N 0.097 120.083 119.950 0.059 0.000 2.095 1176 F HA -0.283 4.243 4.527 -0.002 0.000 0.298 1176 F C 2.655 178.469 175.800 0.022 0.000 1.104 1176 F CA 2.169 60.185 58.000 0.026 0.000 1.232 1176 F CB -0.342 38.673 39.000 0.025 0.000 0.987 1176 F HN 0.263 nan 8.300 nan 0.000 0.475 1177 Q N -0.463 119.465 119.800 0.213 0.000 2.135 1177 Q HA -0.202 4.136 4.340 -0.002 0.000 0.204 1177 Q C 2.000 177.992 176.000 -0.012 0.000 0.981 1177 Q CA 2.296 58.165 55.803 0.111 0.000 0.856 1177 Q CB -0.249 28.581 28.738 0.154 0.000 0.902 1177 Q HN 0.427 nan 8.270 nan 0.000 0.425 1178 T N -0.600 113.955 114.554 0.002 0.000 2.777 1178 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 1178 T C 1.555 176.214 174.700 -0.069 0.000 1.040 1178 T CA 1.170 63.263 62.100 -0.012 0.000 1.141 1178 T CB -0.542 68.338 68.868 0.019 0.000 0.868 1178 T HN 0.575 nan 8.240 nan 0.000 0.444 1179 G N 0.442 109.160 108.800 -0.137 0.000 2.408 1179 G HA2 -0.218 3.740 3.960 -0.002 0.000 0.217 1179 G HA3 -0.218 3.740 3.960 -0.002 0.000 0.217 1179 G C 1.445 176.205 174.900 -0.233 0.000 1.150 1179 G CA 0.744 45.730 45.100 -0.191 0.000 0.776 1179 G HN 0.483 nan 8.290 nan 0.000 0.542 1180 Q N 0.047 119.648 119.800 -0.331 0.000 2.079 1180 Q HA -0.060 4.278 4.340 -0.002 0.000 0.200 1180 Q C 2.467 178.403 176.000 -0.106 0.000 0.974 1180 Q CA 1.503 57.142 55.803 -0.273 0.000 0.840 1180 Q CB -0.167 28.371 28.738 -0.332 0.000 0.898 1180 Q HN 0.510 nan 8.270 nan 0.000 0.430 1181 K N -0.613 119.747 120.400 -0.068 0.000 2.032 1181 K HA -0.147 4.172 4.320 -0.002 0.000 0.209 1181 K C 1.945 178.547 176.600 0.004 0.000 1.048 1181 K CA 1.543 57.824 56.287 -0.010 0.000 0.927 1181 K CB -0.470 32.034 32.500 0.007 0.000 0.712 1181 K HN 0.327 nan 8.250 nan 0.000 0.441 1182 G N 1.932 110.723 108.800 -0.014 0.000 2.418 1182 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.217 1182 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.217 1182 G C 1.443 176.364 174.900 0.036 0.000 1.158 1182 G CA 0.432 45.534 45.100 0.002 0.000 0.771 1182 G HN 0.259 nan 8.290 nan 0.000 0.545 1183 L N 1.015 122.242 121.223 0.007 0.000 2.044 1183 L HA -0.034 4.305 4.340 -0.002 0.000 0.205 1183 L C 2.446 179.398 176.870 0.136 0.000 1.075 1183 L CA 2.258 57.133 54.840 0.059 0.000 0.747 1183 L CB -1.051 40.996 42.059 -0.019 0.000 0.903 1183 L HN 0.284 nan 8.230 nan 0.000 0.435 1184 N N 0.461 119.201 118.700 0.068 0.000 2.069 1184 N HA -0.288 4.450 4.740 -0.002 0.000 0.191 1184 N C 1.642 177.211 175.510 0.098 0.000 1.031 1184 N CA 2.096 55.188 53.050 0.070 0.000 0.852 1184 N CB -0.211 38.299 38.487 0.038 0.000 1.018 1184 N HN 0.419 nan 8.380 nan 0.000 0.423 1185 D N -1.133 119.330 120.400 0.104 0.000 2.133 1185 D HA -0.229 4.410 4.640 -0.002 0.000 0.195 1185 D C 1.813 178.227 176.300 0.189 0.000 0.997 1185 D CA 1.223 55.294 54.000 0.118 0.000 0.840 1185 D CB -0.448 40.407 40.800 0.093 0.000 0.947 1185 D HN 0.398 nan 8.370 nan 0.000 0.452 1186 F N 0.875 120.880 119.950 0.092 0.000 2.102 1186 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 1186 F C 2.285 178.248 175.800 0.270 0.000 1.105 1186 F CA 1.532 59.638 58.000 0.178 0.000 1.239 1186 F CB -0.478 38.579 39.000 0.095 0.000 0.991 1186 F HN 0.011 nan 8.300 nan 0.000 0.474 1187 Q N -0.549 119.256 119.800 0.009 0.000 2.084 1187 Q HA -0.214 4.124 4.340 -0.002 0.000 0.202 1187 Q C 2.462 178.377 176.000 -0.141 0.000 0.978 1187 Q CA 1.926 57.651 55.803 -0.130 0.000 0.844 1187 Q CB -0.688 28.068 28.738 0.031 0.000 0.898 1187 Q HN 0.483 nan 8.270 nan 0.000 0.426 1188 C N -0.387 118.892 119.300 -0.036 0.000 2.446 1188 C HA -0.135 4.324 4.460 -0.002 0.000 0.277 1188 C C 2.275 177.232 174.990 -0.054 0.000 1.275 1188 C CA 0.198 59.195 59.018 -0.034 0.000 1.727 1188 C CB -1.185 26.565 27.740 0.016 0.000 2.010 1188 C HN 0.753 nan 8.230 nan 0.000 0.486 1189 W N 2.101 123.300 121.300 -0.169 0.000 2.342 1189 W HA -0.112 4.547 4.660 -0.001 0.000 0.297 1189 W C 2.165 178.550 176.519 -0.223 0.000 1.213 1189 W CA 1.527 58.774 57.345 -0.164 0.000 1.251 1189 W CB -0.386 28.988 29.460 -0.144 0.000 1.136 1189 W HN 0.221 nan 8.180 nan 0.000 0.526 1190 E N 0.799 120.632 120.200 -0.611 0.000 2.153 1190 E HA -0.159 4.190 4.350 -0.002 0.000 0.194 1190 E C 1.681 177.948 176.600 -0.554 0.000 0.988 1190 E CA 1.328 57.227 56.400 -0.835 0.000 0.811 1190 E CB -0.137 29.170 29.700 -0.655 0.000 0.746 1190 E HN 0.462 nan 8.360 nan 0.000 0.466 1191 K N -0.097 120.086 120.400 -0.361 0.000 2.118 1191 K HA 0.092 4.411 4.320 -0.002 0.000 0.204 1191 K C 1.412 177.866 176.600 -0.244 0.000 1.049 1191 K CA 0.467 56.608 56.287 -0.244 0.000 1.016 1191 K CB -0.910 31.498 32.500 -0.154 0.000 1.204 1191 K HN 0.030 nan 8.250 nan 0.000 0.456 1192 G N 0.000 108.695 108.800 -0.176 0.000 5.446 1192 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 1192 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1192 G CA 0.000 45.013 45.100 -0.145 0.000 0.502 1192 G HN 0.000 nan 8.290 nan 0.000 0.925