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 1sz0_1_B DATA FIRST_RESID 1007 DATA SEQUENCE AEFPELcSYT WEAVDTKNNM LYKINIcGNM GVAQcGPSSA VcMHDLKTDS DATA SEQUENCE FHSVGDSLLK TASRSLLEFN TTVNcKXXXX KIQSSITFLc GKTLGTPEFV DATA SEQUENCE TATDcVHYFE WRTTAAcKKN IFKANKEVPc YAFDRELKKH DLNPLIKTSG DATA SEQUENCE AYLVDDSDPD TSLFINVcRD IEVLRASSPQ VRVcPTGAAA cLVRGDRAFD DATA SEQUENCE VGRPQEGLKL VSNDRLVLSY VKXXXXXPDF cDGHSPAVTI TFVcPSERRE DATA SEQUENCE GTIPKLTAKS NcRFEIEWVT EYAcHRDYLE SRScSLSSAQ HDVAVDLQPL DATA SEQUENCE SRVXASDSLF YTSEADEYTY YLSIcGGSQA PIcNKKDAAV cQVKKADSTQ DATA SEQUENCE VKVAGRPQNL TLRYSDGDLT LIYFGGEEcS SGFQRMSVIN FEcNQTAGNN DATA SEQUENCE GRGAPVFTGE VDcTYFFTWD TKYAcV 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 1007 A HA 0.000 nan 4.320 nan 0.000 0.244 1007 A C 0.000 177.492 177.584 -0.153 0.000 1.274 1007 A CA 0.000 51.977 52.037 -0.100 0.000 0.836 1007 A CB 0.000 18.967 19.000 -0.054 0.000 0.831 1008 E N 0.890 120.907 120.200 -0.306 0.000 4.675 1008 E HA -0.196 4.153 4.350 -0.001 0.000 0.163 1008 E C -0.540 175.777 176.600 -0.471 0.000 1.720 1008 E CA 1.118 57.165 56.400 -0.588 0.000 1.052 1008 E CB -1.443 28.037 29.700 -0.367 0.000 1.047 1008 E HN 1.634 nan 8.360 nan 0.000 0.344 1009 F N -0.749 119.078 119.950 -0.204 0.000 2.866 1009 F HA -0.255 4.272 4.527 -0.001 0.000 0.254 1009 F C -0.662 175.084 175.800 -0.090 0.000 1.009 1009 F CA 0.188 58.056 58.000 -0.220 0.000 0.907 1009 F CB -0.952 37.801 39.000 -0.412 0.000 0.859 1009 F HN 0.386 nan 8.300 nan 0.000 0.842 1010 P HA -0.240 nan 4.420 nan 0.000 0.218 1010 P C 1.319 178.703 177.300 0.141 0.000 1.148 1010 P CA 2.206 65.352 63.100 0.077 0.000 0.822 1010 P CB 0.082 31.802 31.700 0.034 0.000 0.784 1011 E N 0.082 120.376 120.200 0.157 0.000 2.515 1011 E HA -0.064 4.285 4.350 -0.001 0.000 0.201 1011 E C 1.797 178.620 176.600 0.371 0.000 1.071 1011 E CA 0.603 57.141 56.400 0.229 0.000 0.880 1011 E CB -0.744 29.070 29.700 0.189 0.000 0.828 1011 E HN 0.380 nan 8.360 nan 0.000 0.540 1012 L N -0.551 120.878 121.223 0.342 0.000 2.672 1012 L HA 0.163 4.502 4.340 -0.001 0.000 0.236 1012 L C 2.055 179.320 176.870 0.659 0.000 1.092 1012 L CA -0.199 54.969 54.840 0.547 0.000 0.887 1012 L CB 0.086 42.179 42.059 0.056 0.000 1.168 1012 L HN 0.098 nan 8.230 nan 0.000 0.502 1013 c N 0.425 119.253 118.600 0.380 0.000 2.432 1013 c HA -0.100 4.469 4.570 -0.001 0.000 0.282 1013 c C 2.614 176.805 174.090 0.169 0.000 1.388 1013 c CA 1.382 57.881 56.329 0.283 0.000 1.777 1013 c CB -0.712 41.904 42.510 0.178 0.000 1.882 1013 c HN 0.616 nan 8.230 nan 0.000 0.520 1014 S N -1.634 114.078 115.700 0.019 0.000 2.660 1014 S HA 0.255 4.724 4.470 -0.001 0.000 0.227 1014 S C -0.264 173.971 174.600 -0.609 0.000 0.948 1014 S CA -0.146 57.859 58.200 -0.324 0.000 0.948 1014 S CB -0.435 62.473 63.200 -0.486 0.000 0.779 1014 S HN 0.654 nan 8.310 nan 0.000 0.487 1015 Y N 0.028 120.369 120.300 0.068 0.000 2.581 1015 Y HA 0.537 5.086 4.550 -0.001 0.000 0.345 1015 Y C 0.106 175.920 175.900 -0.144 0.000 1.036 1015 Y CA -1.292 56.711 58.100 -0.162 0.000 1.042 1015 Y CB 1.273 39.424 38.460 -0.514 0.000 1.289 1015 Y HN -0.157 nan 8.280 nan 0.000 0.471 1016 T N 1.634 116.167 114.554 -0.035 0.000 2.733 1016 T HA 0.245 4.595 4.350 -0.001 0.000 0.294 1016 T C -1.143 173.544 174.700 -0.022 0.000 0.956 1016 T CA -0.561 61.566 62.100 0.046 0.000 0.987 1016 T CB -0.103 68.785 68.868 0.033 0.000 0.920 1016 T HN 0.351 nan 8.240 nan 0.000 0.470 1017 W N 2.148 123.565 121.300 0.194 0.000 2.469 1017 W HA 0.463 5.122 4.660 -0.001 0.000 0.320 1017 W C 0.536 177.143 176.519 0.146 0.000 1.086 1017 W CA -0.858 56.596 57.345 0.182 0.000 1.211 1017 W CB 0.787 30.327 29.460 0.132 0.000 1.298 1017 W HN 0.528 nan 8.180 nan 0.000 0.525 1018 E N 1.824 122.322 120.200 0.496 0.000 2.191 1018 E HA 0.741 5.090 4.350 -0.001 0.000 0.274 1018 E C -0.660 176.249 176.600 0.515 0.000 0.948 1018 E CA -0.844 55.809 56.400 0.422 0.000 0.802 1018 E CB 1.863 31.798 29.700 0.392 0.000 1.137 1018 E HN 0.453 nan 8.360 nan 0.000 0.397 1019 A N 1.771 124.764 122.820 0.287 0.000 2.498 1019 A HA 0.712 5.031 4.320 -0.001 0.000 0.298 1019 A C -0.910 176.776 177.584 0.169 0.000 1.075 1019 A CA -0.728 51.488 52.037 0.297 0.000 0.714 1019 A CB 1.577 20.776 19.000 0.332 0.000 1.299 1019 A HN 0.411 nan 8.150 nan 0.000 0.407 1020 V N -0.954 119.007 119.914 0.078 0.000 2.925 1020 V HA 0.778 4.897 4.120 -0.001 0.000 0.311 1020 V C -1.329 174.681 176.094 -0.140 0.000 1.104 1020 V CA -0.688 61.570 62.300 -0.070 0.000 0.954 1020 V CB 2.083 33.703 31.823 -0.339 0.000 1.022 1020 V HN 0.840 nan 8.190 nan 0.000 0.427 1021 D N 3.087 123.270 120.400 -0.361 0.000 2.485 1021 D HA 0.318 4.957 4.640 -0.001 0.000 0.229 1021 D C 1.389 177.534 176.300 -0.258 0.000 1.101 1021 D CA 0.463 54.047 54.000 -0.694 0.000 0.906 1021 D CB 1.524 41.670 40.800 -1.091 0.000 1.019 1021 D HN 0.919 nan 8.370 nan 0.000 0.516 1022 T N 1.620 116.113 114.554 -0.102 0.000 2.684 1022 T HA -0.232 4.117 4.350 -0.001 0.000 0.267 1022 T C 1.637 176.306 174.700 -0.051 0.000 1.036 1022 T CA 1.017 63.086 62.100 -0.052 0.000 1.148 1022 T CB -0.193 68.681 68.868 0.010 0.000 0.863 1022 T HN 0.336 nan 8.240 nan 0.000 0.436 1023 K N 1.456 121.844 120.400 -0.019 0.000 2.211 1023 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 1023 K C 1.378 177.957 176.600 -0.036 0.000 1.047 1023 K CA 1.661 57.943 56.287 -0.009 0.000 0.935 1023 K CB -0.222 32.297 32.500 0.032 0.000 0.728 1023 K HN 0.432 nan 8.250 nan 0.000 0.452 1024 N N -0.249 118.408 118.700 -0.073 0.000 2.171 1024 N HA 0.025 4.764 4.740 -0.001 0.000 0.212 1024 N C -0.745 174.691 175.510 -0.123 0.000 1.184 1024 N CA -0.110 52.889 53.050 -0.085 0.000 0.888 1024 N CB 0.683 39.125 38.487 -0.075 0.000 1.038 1024 N HN 0.033 nan 8.380 nan 0.000 0.517 1025 N N 0.502 119.118 118.700 -0.140 0.000 2.756 1025 N HA -0.152 4.588 4.740 -0.001 0.000 0.248 1025 N C -1.325 174.048 175.510 -0.228 0.000 1.062 1025 N CA 0.616 53.565 53.050 -0.169 0.000 0.696 1025 N CB -0.482 37.916 38.487 -0.149 0.000 0.946 1025 N HN 0.107 nan 8.380 nan 0.000 0.548 1026 M N 0.602 120.052 119.600 -0.250 0.000 2.227 1026 M HA 0.424 4.904 4.480 -0.001 0.000 0.335 1026 M C -0.321 175.780 176.300 -0.332 0.000 1.053 1026 M CA -0.860 54.242 55.300 -0.330 0.000 0.973 1026 M CB 1.325 33.721 32.600 -0.340 0.000 1.623 1026 M HN 0.158 nan 8.290 nan 0.000 0.434 1027 L N 4.640 125.651 121.223 -0.354 0.000 2.307 1027 L HA 0.582 4.922 4.340 -0.001 0.000 0.284 1027 L C -1.741 175.013 176.870 -0.193 0.000 1.023 1027 L CA -0.251 54.462 54.840 -0.212 0.000 0.810 1027 L CB 1.031 42.990 42.059 -0.167 0.000 1.231 1027 L HN 0.477 nan 8.230 nan 0.000 0.423 1028 Y N 3.508 123.809 120.300 0.002 0.000 2.377 1028 Y HA 0.599 5.149 4.550 -0.001 0.000 0.339 1028 Y C -0.117 175.813 175.900 0.051 0.000 1.011 1028 Y CA -0.684 57.456 58.100 0.066 0.000 1.093 1028 Y CB 1.551 40.101 38.460 0.151 0.000 1.201 1028 Y HN 0.450 nan 8.280 nan 0.000 0.455 1029 K N 3.560 124.079 120.400 0.198 0.000 2.293 1029 K HA 0.587 4.906 4.320 -0.001 0.000 0.267 1029 K C -1.458 175.209 176.600 0.111 0.000 1.010 1029 K CA -0.106 56.269 56.287 0.147 0.000 0.875 1029 K CB 0.472 33.040 32.500 0.113 0.000 1.106 1029 K HN 0.639 nan 8.250 nan 0.000 0.450 1030 I N 3.299 123.954 120.570 0.142 0.000 2.406 1030 I HA 0.316 4.485 4.170 -0.001 0.000 0.290 1030 I C -0.444 175.827 176.117 0.255 0.000 0.999 1030 I CA -0.664 60.709 61.300 0.121 0.000 1.124 1030 I CB 1.879 39.915 38.000 0.061 0.000 1.289 1030 I HN 0.582 nan 8.210 nan 0.000 0.441 1031 N N 6.465 125.255 118.700 0.150 0.000 2.576 1031 N HA 0.254 4.993 4.740 -0.001 0.000 0.269 1031 N C 0.722 176.343 175.510 0.185 0.000 1.058 1031 N CA -0.533 52.642 53.050 0.208 0.000 0.860 1031 N CB 1.078 39.626 38.487 0.102 0.000 1.249 1031 N HN 0.498 nan 8.380 nan 0.000 0.525 1032 I N 1.393 122.172 120.570 0.349 0.000 2.657 1032 I HA -0.160 4.009 4.170 -0.001 0.000 0.261 1032 I C 1.127 177.446 176.117 0.336 0.000 1.212 1032 I CA 0.821 62.359 61.300 0.397 0.000 1.453 1032 I CB -1.132 37.105 38.000 0.395 0.000 1.092 1032 I HN 0.607 nan 8.210 nan 0.000 0.452 1033 c N 0.727 119.469 118.600 0.236 0.000 2.976 1033 c HA 0.385 4.954 4.570 -0.001 0.000 0.274 1033 c C 1.909 176.069 174.090 0.117 0.000 1.487 1033 c CA -0.513 55.921 56.329 0.175 0.000 1.789 1033 c CB -0.999 41.596 42.510 0.142 0.000 2.771 1033 c HN 0.601 nan 8.230 nan 0.000 0.551 1034 G N 3.345 112.197 108.800 0.087 0.000 2.276 1034 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.311 1034 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.311 1034 G C 1.107 176.023 174.900 0.027 0.000 0.726 1034 G CA 1.279 46.394 45.100 0.026 0.000 0.792 1034 G HN 0.827 nan 8.290 nan 0.000 0.482 1035 N N -0.924 117.797 118.700 0.036 0.000 2.457 1035 N HA -0.022 4.717 4.740 -0.001 0.000 0.180 1035 N C 1.254 176.768 175.510 0.006 0.000 1.050 1035 N CA 0.434 53.497 53.050 0.022 0.000 0.906 1035 N CB -0.047 38.453 38.487 0.022 0.000 0.968 1035 N HN 0.336 nan 8.380 nan 0.000 0.445 1036 M N 0.384 119.987 119.600 0.006 0.000 1.801 1036 M HA 0.227 4.706 4.480 -0.001 0.000 0.198 1036 M C 0.887 177.171 176.300 -0.026 0.000 1.248 1036 M CA -0.088 55.206 55.300 -0.009 0.000 0.893 1036 M CB -0.390 32.209 32.600 -0.002 0.000 1.199 1036 M HN 0.056 nan 8.290 nan 0.000 0.482 1037 G N 0.462 109.244 108.800 -0.031 0.000 2.807 1037 G HA2 0.482 4.441 3.960 -0.001 0.000 0.316 1037 G HA3 0.482 4.441 3.960 -0.001 0.000 0.316 1037 G C -0.243 174.626 174.900 -0.051 0.000 0.900 1037 G CA -0.378 44.692 45.100 -0.051 0.000 1.499 1037 G HN 0.431 nan 8.290 nan 0.000 0.484 1038 V N 1.129 121.003 119.914 -0.068 0.000 3.047 1038 V HA 0.191 4.310 4.120 -0.001 0.000 0.374 1038 V C 1.662 177.677 176.094 -0.132 0.000 1.399 1038 V CA -0.078 62.166 62.300 -0.094 0.000 1.251 1038 V CB 0.085 31.873 31.823 -0.058 0.000 1.228 1038 V HN 0.627 nan 8.190 nan 0.000 0.589 1039 A N 0.073 122.820 122.820 -0.121 0.000 2.214 1039 A HA -0.299 4.021 4.320 -0.001 0.000 0.221 1039 A C 2.024 179.497 177.584 -0.185 0.000 1.167 1039 A CA 2.229 54.192 52.037 -0.123 0.000 0.670 1039 A CB -0.376 18.561 19.000 -0.105 0.000 0.797 1039 A HN 0.693 nan 8.150 nan 0.000 0.477 1040 Q N -1.876 117.752 119.800 -0.288 0.000 2.297 1040 Q HA -0.185 4.154 4.340 -0.001 0.000 0.208 1040 Q C 1.564 177.362 176.000 -0.337 0.000 0.981 1040 Q CA 1.490 56.992 55.803 -0.501 0.000 0.876 1040 Q CB -0.291 27.875 28.738 -0.953 0.000 0.921 1040 Q HN 0.772 nan 8.270 nan 0.000 0.446 1041 c N -0.805 117.690 118.600 -0.176 0.000 3.183 1041 c HA 0.484 5.054 4.570 -0.001 0.000 0.285 1041 c C 0.863 174.919 174.090 -0.057 0.000 1.313 1041 c CA 0.114 56.401 56.329 -0.070 0.000 1.711 1041 c CB -0.079 42.425 42.510 -0.011 0.000 2.135 1041 c HN 0.648 nan 8.230 nan 0.000 0.651 1042 G N 1.651 110.405 108.800 -0.077 0.000 2.406 1042 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.680 1042 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.680 1042 G C -2.329 172.544 174.900 -0.045 0.000 1.338 1042 G CA -0.082 44.987 45.100 -0.052 0.000 0.941 1042 G HN -0.156 nan 8.290 nan 0.000 0.633 1043 P HA 0.008 nan 4.420 nan 0.000 0.229 1043 P C 1.338 178.631 177.300 -0.012 0.000 1.160 1043 P CA 1.782 64.867 63.100 -0.024 0.000 0.777 1043 P CB 0.148 31.837 31.700 -0.018 0.000 0.814 1044 S N -2.355 113.342 115.700 -0.006 0.000 2.524 1044 S HA 0.103 4.572 4.470 -0.001 0.000 0.215 1044 S C 1.071 175.668 174.600 -0.004 0.000 0.986 1044 S CA -0.277 57.928 58.200 0.008 0.000 0.911 1044 S CB -0.628 62.585 63.200 0.023 0.000 0.805 1044 S HN 0.036 nan 8.310 nan 0.000 0.501 1045 S N 1.321 117.008 115.700 -0.022 0.000 2.516 1045 S HA 0.551 5.020 4.470 -0.001 0.000 0.282 1045 S C 1.053 175.594 174.600 -0.098 0.000 1.286 1045 S CA 0.067 58.240 58.200 -0.045 0.000 1.066 1045 S CB 0.771 63.951 63.200 -0.033 0.000 0.884 1045 S HN 0.547 nan 8.310 nan 0.000 0.491 1046 A N 4.927 127.619 122.820 -0.214 0.000 2.014 1046 A HA 0.382 4.702 4.320 -0.001 0.000 0.210 1046 A C 0.311 177.682 177.584 -0.356 0.000 1.188 1046 A CA 0.204 52.003 52.037 -0.396 0.000 0.731 1046 A CB 0.356 18.759 19.000 -0.994 0.000 0.858 1046 A HN 0.692 nan 8.150 nan 0.000 0.464 1047 V N 0.322 120.073 119.914 -0.271 0.000 2.357 1047 V HA 0.245 4.364 4.120 -0.001 0.000 0.281 1047 V C -0.792 175.303 176.094 0.001 0.000 1.015 1047 V CA -0.930 61.299 62.300 -0.119 0.000 0.827 1047 V CB 0.614 32.382 31.823 -0.092 0.000 1.018 1047 V HN 0.378 nan 8.190 nan 0.000 0.432 1048 c N 7.340 125.966 118.600 0.043 0.000 2.307 1048 c HA 0.700 5.269 4.570 -0.001 0.000 0.340 1048 c C 0.200 174.343 174.090 0.088 0.000 1.275 1048 c CA -0.509 55.866 56.329 0.075 0.000 1.811 1048 c CB 0.318 42.871 42.510 0.072 0.000 2.372 1048 c HN 0.947 nan 8.230 nan 0.000 0.531 1049 M N 6.547 126.168 119.600 0.035 0.000 2.149 1049 M HA 0.329 4.809 4.480 -0.001 0.000 0.342 1049 M C -0.602 175.668 176.300 -0.050 0.000 1.068 1049 M CA -0.132 55.063 55.300 -0.174 0.000 0.991 1049 M CB 0.468 32.897 32.600 -0.286 0.000 1.596 1049 M HN 0.909 nan 8.290 nan 0.000 0.439 1050 H N 4.154 123.038 119.070 -0.309 0.000 2.685 1050 H HA 0.142 4.697 4.556 -0.001 0.000 0.286 1050 H C -1.008 174.071 175.328 -0.414 0.000 1.102 1050 H CA -0.716 55.024 56.048 -0.513 0.000 1.254 1050 H CB 0.718 30.175 29.762 -0.509 0.000 1.397 1050 H HN 0.648 nan 8.280 nan 0.000 0.473 1051 D N 6.011 126.306 120.400 -0.175 0.000 2.455 1051 D HA -0.030 4.609 4.640 -0.001 0.000 0.234 1051 D C 0.890 176.993 176.300 -0.328 0.000 1.224 1051 D CA -0.167 53.711 54.000 -0.204 0.000 0.999 1051 D CB 0.348 41.121 40.800 -0.044 0.000 1.072 1051 D HN 0.637 nan 8.370 nan 0.000 0.514 1052 L N 3.294 124.209 121.223 -0.513 0.000 2.447 1052 L HA -0.131 4.208 4.340 -0.001 0.000 0.225 1052 L C 2.431 179.137 176.870 -0.272 0.000 1.148 1052 L CA 1.033 55.551 54.840 -0.536 0.000 0.808 1052 L CB -0.441 41.319 42.059 -0.499 0.000 0.928 1052 L HN 0.359 nan 8.230 nan 0.000 0.448 1053 K N 0.054 120.337 120.400 -0.196 0.000 1.991 1053 K HA -0.141 4.178 4.320 -0.001 0.000 0.207 1053 K C 1.796 178.345 176.600 -0.085 0.000 1.045 1053 K CA 1.840 58.055 56.287 -0.120 0.000 0.937 1053 K CB -0.091 32.350 32.500 -0.097 0.000 0.720 1053 K HN 0.397 nan 8.250 nan 0.000 0.438 1054 T N -1.492 113.021 114.554 -0.067 0.000 3.122 1054 T HA 0.024 4.373 4.350 -0.001 0.000 0.250 1054 T C -0.050 174.635 174.700 -0.025 0.000 1.067 1054 T CA 0.328 62.412 62.100 -0.026 0.000 0.966 1054 T CB -0.177 68.698 68.868 0.013 0.000 1.002 1054 T HN 0.398 nan 8.240 nan 0.000 0.542 1055 D N 1.830 122.187 120.400 -0.071 0.000 2.802 1055 D HA -0.169 4.471 4.640 -0.001 0.000 0.229 1055 D C -0.269 176.021 176.300 -0.017 0.000 1.203 1055 D CA 0.936 54.917 54.000 -0.032 0.000 0.712 1055 D CB -1.305 39.507 40.800 0.019 0.000 0.973 1055 D HN 0.802 nan 8.370 nan 0.000 0.407 1056 S N -0.250 115.399 115.700 -0.085 0.000 2.588 1056 S HA 0.814 5.283 4.470 -0.001 0.000 0.275 1056 S C -0.615 173.784 174.600 -0.334 0.000 1.130 1056 S CA -1.117 57.004 58.200 -0.131 0.000 0.855 1056 S CB 1.311 64.487 63.200 -0.041 0.000 1.116 1056 S HN 0.084 nan 8.310 nan 0.000 0.472 1057 F N 0.667 120.474 119.950 -0.239 0.000 2.469 1057 F HA 0.644 5.170 4.527 -0.001 0.000 0.332 1057 F C 0.031 175.566 175.800 -0.441 0.000 1.103 1057 F CA -0.399 57.475 58.000 -0.210 0.000 0.979 1057 F CB 1.614 40.493 39.000 -0.200 0.000 1.137 1057 F HN 0.653 nan 8.300 nan 0.000 0.463 1058 H N -0.702 118.431 119.070 0.105 0.000 2.782 1058 H HA 0.360 4.915 4.556 -0.001 0.000 0.347 1058 H C -0.649 174.695 175.328 0.026 0.000 1.038 1058 H CA -0.960 55.119 56.048 0.052 0.000 1.255 1058 H CB 1.845 31.619 29.762 0.020 0.000 1.623 1058 H HN 0.504 nan 8.280 nan 0.000 0.525 1059 S N 1.523 117.298 115.700 0.126 0.000 2.528 1059 S HA 0.256 4.725 4.470 -0.001 0.000 0.277 1059 S C 0.820 175.456 174.600 0.060 0.000 1.297 1059 S CA -0.427 57.814 58.200 0.069 0.000 1.052 1059 S CB 0.107 63.332 63.200 0.043 0.000 0.917 1059 S HN 0.588 nan 8.310 nan 0.000 0.492 1060 V N 1.957 121.884 119.914 0.023 0.000 3.159 1060 V HA 0.698 4.817 4.120 -0.001 0.000 0.333 1060 V C 0.480 176.621 176.094 0.077 0.000 1.424 1060 V CA 0.102 62.406 62.300 0.006 0.000 1.125 1060 V CB -0.100 31.583 31.823 -0.234 0.000 1.075 1060 V HN 0.914 nan 8.190 nan 0.000 0.482 1061 G N -0.384 108.456 108.800 0.066 0.000 2.378 1061 G HA2 0.352 4.311 3.960 -0.001 0.000 0.306 1061 G HA3 0.352 4.311 3.960 -0.001 0.000 0.306 1061 G C -2.141 172.773 174.900 0.023 0.000 1.413 1061 G CA -0.422 44.745 45.100 0.113 0.000 1.123 1061 G HN 0.065 nan 8.290 nan 0.000 0.587 1062 D N 1.751 122.232 120.400 0.135 0.000 2.177 1062 D HA 0.395 5.035 4.640 -0.001 0.000 0.247 1062 D C 1.421 177.845 176.300 0.208 0.000 1.063 1062 D CA -0.366 53.698 54.000 0.106 0.000 0.867 1062 D CB 2.065 42.931 40.800 0.110 0.000 1.168 1062 D HN 0.157 nan 8.370 nan 0.000 0.445 1063 S N 2.723 118.492 115.700 0.114 0.000 2.370 1063 S HA -0.151 4.319 4.470 -0.001 0.000 0.226 1063 S C 1.985 176.736 174.600 0.251 0.000 1.033 1063 S CA 0.981 59.307 58.200 0.211 0.000 1.011 1063 S CB -0.052 63.211 63.200 0.106 0.000 0.852 1063 S HN 0.557 nan 8.310 nan 0.000 0.457 1064 L N 0.201 121.520 121.223 0.160 0.000 2.217 1064 L HA 0.028 4.367 4.340 -0.001 0.000 0.211 1064 L C 0.584 177.527 176.870 0.123 0.000 1.107 1064 L CA 0.527 55.440 54.840 0.122 0.000 0.783 1064 L CB -0.431 41.678 42.059 0.083 0.000 0.919 1064 L HN 0.228 nan 8.230 nan 0.000 0.442 1065 L N 0.544 121.860 121.223 0.155 0.000 3.001 1065 L HA 0.175 4.514 4.340 -0.001 0.000 0.234 1065 L C 0.568 177.514 176.870 0.126 0.000 1.321 1065 L CA 0.504 55.421 54.840 0.128 0.000 1.138 1065 L CB -0.685 41.450 42.059 0.127 0.000 1.503 1065 L HN 0.051 nan 8.230 nan 0.000 0.487 1066 K N -0.094 120.368 120.400 0.103 0.000 2.118 1066 K HA 0.505 4.824 4.320 -0.001 0.000 0.264 1066 K C -0.650 175.894 176.600 -0.095 0.000 1.000 1066 K CA -0.208 56.035 56.287 -0.073 0.000 0.929 1066 K CB 0.845 33.314 32.500 -0.051 0.000 1.021 1066 K HN 0.059 nan 8.250 nan 0.000 0.463 1067 T N 1.797 116.247 114.554 -0.174 0.000 2.937 1067 T HA 0.544 4.893 4.350 -0.001 0.000 0.297 1067 T C -1.432 173.208 174.700 -0.100 0.000 0.991 1067 T CA -0.702 61.343 62.100 -0.092 0.000 0.990 1067 T CB 1.549 70.387 68.868 -0.050 0.000 0.991 1067 T HN 0.670 nan 8.240 nan 0.000 0.440 1068 A N 2.655 125.436 122.820 -0.065 0.000 2.365 1068 A HA 0.972 5.292 4.320 -0.001 0.000 0.318 1068 A C -0.004 177.560 177.584 -0.034 0.000 1.091 1068 A CA -0.723 51.287 52.037 -0.045 0.000 0.763 1068 A CB 1.379 20.333 19.000 -0.076 0.000 1.248 1068 A HN 1.003 nan 8.150 nan 0.000 0.442 1069 S N 0.899 116.597 115.700 -0.004 0.000 2.671 1069 S HA 0.497 4.967 4.470 -0.001 0.000 0.277 1069 S C 0.818 175.421 174.600 0.004 0.000 1.165 1069 S CA -0.175 58.021 58.200 -0.008 0.000 0.822 1069 S CB 1.092 64.308 63.200 0.025 0.000 1.150 1069 S HN 0.958 nan 8.310 nan 0.000 0.479 1070 R N 0.458 120.955 120.500 -0.005 0.000 2.103 1070 R HA -0.045 4.294 4.340 -0.001 0.000 0.242 1070 R C 0.827 177.223 176.300 0.159 0.000 1.142 1070 R CA 2.248 58.355 56.100 0.012 0.000 0.960 1070 R CB -0.576 29.725 30.300 0.002 0.000 0.858 1070 R HN 0.635 nan 8.270 nan 0.000 0.439 1071 S N -0.350 115.454 115.700 0.174 0.000 2.593 1071 S HA 0.240 4.709 4.470 -0.001 0.000 0.236 1071 S C -0.698 174.085 174.600 0.304 0.000 0.991 1071 S CA -0.555 57.794 58.200 0.250 0.000 0.963 1071 S CB 0.738 64.035 63.200 0.162 0.000 0.865 1071 S HN 0.242 nan 8.310 nan 0.000 0.488 1072 L N 1.496 122.897 121.223 0.296 0.000 2.516 1072 L HA 0.533 4.872 4.340 -0.001 0.000 0.267 1072 L C -1.751 175.271 176.870 0.252 0.000 0.957 1072 L CA -0.338 54.665 54.840 0.272 0.000 0.860 1072 L CB 1.385 43.538 42.059 0.156 0.000 1.265 1072 L HN 0.060 nan 8.230 nan 0.000 0.403 1073 L N 4.509 125.918 121.223 0.310 0.000 2.305 1073 L HA 0.570 4.909 4.340 -0.001 0.000 0.284 1073 L C -0.598 176.249 176.870 -0.039 0.000 1.013 1073 L CA -0.447 54.477 54.840 0.140 0.000 0.819 1073 L CB 1.880 44.145 42.059 0.344 0.000 1.227 1073 L HN 0.685 nan 8.230 nan 0.000 0.417 1074 E N 3.410 123.483 120.200 -0.211 0.000 2.199 1074 E HA 0.495 4.844 4.350 -0.001 0.000 0.269 1074 E C -1.601 174.786 176.600 -0.354 0.000 0.899 1074 E CA -0.549 55.755 56.400 -0.161 0.000 0.772 1074 E CB 2.419 32.099 29.700 -0.034 0.000 1.155 1074 E HN 0.226 nan 8.360 nan 0.000 0.408 1075 F N 1.800 121.809 119.950 0.099 0.000 2.493 1075 F HA 0.357 4.884 4.527 -0.001 0.000 0.329 1075 F C 0.513 176.359 175.800 0.078 0.000 1.126 1075 F CA -0.752 57.302 58.000 0.090 0.000 0.937 1075 F CB 1.311 40.368 39.000 0.095 0.000 1.146 1075 F HN 0.283 nan 8.300 nan 0.000 0.442 1076 N N 0.608 119.457 118.700 0.248 0.000 2.485 1076 N HA 0.610 5.349 4.740 -0.001 0.000 0.280 1076 N C -0.525 175.078 175.510 0.154 0.000 1.205 1076 N CA -0.036 53.113 53.050 0.165 0.000 0.959 1076 N CB 2.159 40.715 38.487 0.114 0.000 1.206 1076 N HN 0.705 nan 8.380 nan 0.000 0.545 1077 T N -3.712 110.913 114.554 0.118 0.000 2.841 1077 T HA 0.347 4.697 4.350 -0.001 0.000 0.296 1077 T C 0.619 175.368 174.700 0.081 0.000 1.166 1077 T CA -0.605 61.554 62.100 0.099 0.000 1.007 1077 T CB 1.127 70.053 68.868 0.097 0.000 1.253 1077 T HN 0.457 nan 8.240 nan 0.000 0.511 1078 T N -1.566 113.030 114.554 0.070 0.000 3.069 1078 T HA 0.274 4.623 4.350 -0.001 0.000 0.252 1078 T C 0.584 175.319 174.700 0.059 0.000 1.053 1078 T CA -0.205 61.931 62.100 0.060 0.000 0.964 1078 T CB -0.233 68.665 68.868 0.051 0.000 1.005 1078 T HN 0.522 nan 8.240 nan 0.000 0.532 1079 V N 4.032 123.987 119.914 0.067 0.000 2.446 1079 V HA 0.147 4.267 4.120 -0.001 0.000 0.276 1079 V C 0.434 176.569 176.094 0.068 0.000 1.030 1079 V CA -0.937 61.404 62.300 0.069 0.000 1.033 1079 V CB -0.369 31.503 31.823 0.082 0.000 0.993 1079 V HN 0.503 nan 8.190 nan 0.000 0.477 1080 N N 2.736 121.471 118.700 0.058 0.000 2.381 1080 N HA 0.143 4.882 4.740 -0.001 0.000 0.241 1080 N C -0.259 175.285 175.510 0.057 0.000 1.279 1080 N CA -0.012 53.070 53.050 0.053 0.000 0.896 1080 N CB 0.989 39.503 38.487 0.044 0.000 1.118 1080 N HN 0.741 nan 8.380 nan 0.000 0.438 1081 c N 0.755 119.387 118.600 0.053 0.000 2.802 1081 c HA 0.471 5.040 4.570 -0.001 0.000 0.307 1081 c C -0.043 174.072 174.090 0.042 0.000 1.222 1081 c CA -0.713 55.648 56.329 0.053 0.000 1.580 1081 c CB 0.943 43.491 42.510 0.063 0.000 2.119 1081 c HN 0.613 nan 8.230 nan 0.000 0.479 1088 I N 3.450 124.081 120.570 0.100 0.000 2.710 1088 I HA -0.064 4.105 4.170 -0.001 0.000 0.286 1088 I C 0.834 177.035 176.117 0.140 0.000 1.181 1088 I CA 0.676 62.058 61.300 0.136 0.000 1.430 1088 I CB 0.362 38.451 38.000 0.149 0.000 1.367 1088 I HN 0.506 nan 8.210 nan 0.000 0.577 1089 Q N 3.629 123.530 119.800 0.168 0.000 2.630 1089 Q HA 0.590 4.929 4.340 -0.001 0.000 0.295 1089 Q C -1.702 174.411 176.000 0.187 0.000 0.944 1089 Q CA -1.076 54.823 55.803 0.160 0.000 0.766 1089 Q CB 1.927 30.732 28.738 0.112 0.000 1.471 1089 Q HN 0.476 nan 8.270 nan 0.000 0.416 1090 S N 0.528 116.355 115.700 0.210 0.000 2.536 1090 S HA 0.708 5.177 4.470 -0.001 0.000 0.298 1090 S C -1.377 173.334 174.600 0.185 0.000 1.083 1090 S CA -0.670 57.679 58.200 0.249 0.000 0.995 1090 S CB 1.847 65.254 63.200 0.345 0.000 1.058 1090 S HN 0.532 nan 8.310 nan 0.000 0.488 1091 S N 2.337 118.107 115.700 0.116 0.000 2.647 1091 S HA 0.657 5.127 4.470 -0.001 0.000 0.300 1091 S C -1.253 173.483 174.600 0.226 0.000 1.129 1091 S CA -0.647 57.616 58.200 0.105 0.000 1.029 1091 S CB 0.124 63.301 63.200 -0.040 0.000 1.007 1091 S HN 0.599 nan 8.310 nan 0.000 0.484 1092 I N 4.265 124.948 120.570 0.188 0.000 2.411 1092 I HA 0.266 4.435 4.170 -0.001 0.000 0.284 1092 I C 0.006 176.086 176.117 -0.062 0.000 1.012 1092 I CA -0.495 60.845 61.300 0.066 0.000 1.119 1092 I CB 1.995 39.978 38.000 -0.028 0.000 1.261 1092 I HN 0.446 nan 8.210 nan 0.000 0.448 1093 T N 6.315 120.835 114.554 -0.057 0.000 2.761 1093 T HA 0.398 4.748 4.350 -0.001 0.000 0.296 1093 T C -0.391 174.195 174.700 -0.189 0.000 0.934 1093 T CA 0.158 62.244 62.100 -0.022 0.000 1.091 1093 T CB 0.071 68.955 68.868 0.027 0.000 0.896 1093 T HN 0.114 nan 8.240 nan 0.000 0.515 1094 F N 3.405 123.370 119.950 0.026 0.000 2.421 1094 F HA 0.608 5.134 4.527 -0.001 0.000 0.337 1094 F C 0.168 175.970 175.800 0.002 0.000 1.105 1094 F CA -0.929 57.042 58.000 -0.049 0.000 1.049 1094 F CB 1.061 39.943 39.000 -0.198 0.000 1.139 1094 F HN 0.215 nan 8.300 nan 0.000 0.479 1095 L N 3.032 124.356 121.223 0.169 0.000 2.401 1095 L HA 0.413 4.753 4.340 -0.001 0.000 0.266 1095 L C -0.690 176.267 176.870 0.145 0.000 0.991 1095 L CA -1.002 53.915 54.840 0.127 0.000 0.818 1095 L CB 2.007 44.109 42.059 0.072 0.000 1.321 1095 L HN 0.638 nan 8.230 nan 0.000 0.413 1096 c N 1.925 120.617 118.600 0.153 0.000 2.653 1096 c HA 0.662 5.231 4.570 -0.001 0.000 0.421 1096 c C 0.842 175.143 174.090 0.351 0.000 1.334 1096 c CA 0.207 56.672 56.329 0.226 0.000 1.885 1096 c CB -0.889 41.749 42.510 0.212 0.000 2.645 1096 c HN 0.903 nan 8.230 nan 0.000 0.601 1097 G N 4.161 113.200 108.800 0.397 0.000 2.680 1097 G HA2 0.450 4.410 3.960 -0.001 0.000 0.290 1097 G HA3 0.450 4.410 3.960 -0.001 0.000 0.290 1097 G C -0.314 174.840 174.900 0.424 0.000 1.355 1097 G CA -0.555 44.819 45.100 0.457 0.000 0.903 1097 G HN 0.755 nan 8.290 nan 0.000 0.474 1098 K N -0.667 119.903 120.400 0.283 0.000 2.404 1098 K HA 0.192 4.512 4.320 -0.001 0.000 0.194 1098 K C 0.542 177.160 176.600 0.029 0.000 1.023 1098 K CA 0.460 56.751 56.287 0.007 0.000 1.094 1098 K CB 0.462 32.824 32.500 -0.232 0.000 0.841 1098 K HN 0.636 nan 8.250 nan 0.000 0.523 1099 T N -4.064 110.554 114.554 0.107 0.000 2.841 1099 T HA 0.266 4.616 4.350 -0.001 0.000 0.296 1099 T C 0.821 175.613 174.700 0.153 0.000 1.166 1099 T CA -0.905 61.259 62.100 0.106 0.000 1.007 1099 T CB 1.017 69.937 68.868 0.087 0.000 1.253 1099 T HN -0.160 nan 8.240 nan 0.000 0.511 1100 L N 1.004 122.337 121.223 0.183 0.000 2.127 1100 L HA 0.135 4.475 4.340 -0.001 0.000 0.211 1100 L C 1.845 178.901 176.870 0.310 0.000 1.089 1100 L CA 2.004 56.988 54.840 0.239 0.000 0.757 1100 L CB -1.338 40.934 42.059 0.355 0.000 0.899 1100 L HN 1.267 nan 8.230 nan 0.000 0.434 1101 G N -0.156 108.800 108.800 0.260 0.000 2.601 1101 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.252 1101 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.252 1101 G C -0.031 174.942 174.900 0.121 0.000 1.294 1101 G CA 0.049 45.267 45.100 0.196 0.000 0.912 1101 G HN 0.504 nan 8.290 nan 0.000 0.574 1102 T N -1.821 112.586 114.554 -0.244 0.000 2.894 1102 T HA 0.749 5.099 4.350 -0.001 0.000 0.309 1102 T C -3.274 170.718 174.700 -1.180 0.000 1.208 1102 T CA -0.663 60.987 62.100 -0.751 0.000 1.016 1102 T CB 3.152 71.453 68.868 -0.946 0.000 1.192 1102 T HN 0.810 nan 8.240 nan 0.000 0.491 1103 P HA 0.405 nan 4.420 nan 0.000 0.286 1103 P C -0.859 176.220 177.300 -0.367 0.000 1.269 1103 P CA -0.222 62.208 63.100 -1.116 0.000 0.787 1103 P CB 0.837 31.808 31.700 -1.215 0.000 0.920 1104 E N 2.470 122.580 120.200 -0.151 0.000 2.179 1104 E HA 0.246 4.596 4.350 -0.001 0.000 0.275 1104 E C -0.556 176.124 176.600 0.133 0.000 0.945 1104 E CA -0.894 55.513 56.400 0.011 0.000 0.792 1104 E CB 1.194 30.871 29.700 -0.038 0.000 1.125 1104 E HN 0.399 nan 8.360 nan 0.000 0.397 1105 F N 3.479 123.440 119.950 0.019 0.000 2.504 1105 F HA 0.010 4.536 4.527 -0.001 0.000 0.369 1105 F C 0.599 176.264 175.800 -0.225 0.000 1.082 1105 F CA 0.067 57.920 58.000 -0.246 0.000 1.216 1105 F CB 0.434 39.320 39.000 -0.191 0.000 1.108 1105 F HN 0.181 nan 8.300 nan 0.000 0.554 1106 V N 3.381 122.669 119.914 -1.044 0.000 2.423 1106 V HA 0.164 4.283 4.120 -0.001 0.000 0.233 1106 V C 0.683 176.106 176.094 -1.118 0.000 1.067 1106 V CA 1.244 63.096 62.300 -0.748 0.000 1.073 1106 V CB -0.060 31.495 31.823 -0.447 0.000 0.715 1106 V HN 0.849 nan 8.190 nan 0.000 0.485 1107 T N -1.578 112.203 114.554 -1.288 0.000 2.769 1107 T HA 0.688 5.037 4.350 -0.001 0.000 0.306 1107 T C -2.102 172.312 174.700 -0.476 0.000 1.400 1107 T CA 0.128 61.722 62.100 -0.843 0.000 1.007 1107 T CB 1.720 70.388 68.868 -0.332 0.000 1.392 1107 T HN 0.568 nan 8.240 nan 0.000 0.500 1108 A N 2.302 125.113 122.820 -0.015 0.000 2.375 1108 A HA 0.684 5.003 4.320 -0.001 0.000 0.291 1108 A C 0.535 178.100 177.584 -0.031 0.000 1.160 1108 A CA -0.099 51.924 52.037 -0.024 0.000 0.747 1108 A CB 0.760 19.800 19.000 0.067 0.000 1.170 1108 A HN 1.082 nan 8.150 nan 0.000 0.458 1109 T N -0.545 114.009 114.554 -0.000 0.000 3.018 1109 T HA 0.168 4.518 4.350 -0.001 0.000 0.338 1109 T C 0.674 175.358 174.700 -0.027 0.000 1.208 1109 T CA 0.730 62.844 62.100 0.023 0.000 0.963 1109 T CB 0.115 69.046 68.868 0.105 0.000 1.697 1109 T HN 0.459 nan 8.240 nan 0.000 0.560 1110 D N -0.245 120.159 120.400 0.005 0.000 2.097 1110 D HA -0.034 4.605 4.640 -0.001 0.000 0.197 1110 D C 1.948 178.255 176.300 0.011 0.000 0.984 1110 D CA 1.379 55.383 54.000 0.006 0.000 0.826 1110 D CB -0.186 40.626 40.800 0.020 0.000 0.973 1110 D HN 0.560 nan 8.370 nan 0.000 0.460 1111 c N 0.121 118.737 118.600 0.026 0.000 3.364 1111 c HA 0.257 4.827 4.570 -0.001 0.000 0.340 1111 c C 0.741 174.875 174.090 0.072 0.000 1.336 1111 c CA -0.489 55.876 56.329 0.061 0.000 1.778 1111 c CB 0.759 43.310 42.510 0.068 0.000 2.398 1111 c HN -0.068 nan 8.230 nan 0.000 0.667 1112 V N 1.031 120.939 119.914 -0.010 0.000 2.581 1112 V HA 0.409 4.528 4.120 -0.001 0.000 0.303 1112 V C -1.111 174.806 176.094 -0.294 0.000 1.041 1112 V CA -0.267 61.964 62.300 -0.115 0.000 0.907 1112 V CB 1.220 32.870 31.823 -0.289 0.000 0.994 1112 V HN 0.374 nan 8.190 nan 0.000 0.442 1113 H N 2.892 121.828 119.070 -0.223 0.000 2.595 1113 H HA 0.573 5.129 4.556 -0.001 0.000 0.313 1113 H C -1.158 173.936 175.328 -0.390 0.000 1.023 1113 H CA -0.366 55.605 56.048 -0.128 0.000 1.218 1113 H CB 0.608 30.510 29.762 0.233 0.000 1.403 1113 H HN 0.548 nan 8.280 nan 0.000 0.477 1114 Y N 2.652 122.764 120.300 -0.312 0.000 2.334 1114 Y HA 0.471 5.020 4.550 -0.001 0.000 0.328 1114 Y C -0.386 175.036 175.900 -0.797 0.000 1.130 1114 Y CA -0.533 57.358 58.100 -0.348 0.000 1.163 1114 Y CB 0.905 39.182 38.460 -0.306 0.000 1.207 1114 Y HN 0.456 nan 8.280 nan 0.000 0.471 1115 F N 0.226 120.152 119.950 -0.040 0.000 2.613 1115 F HA 0.443 4.970 4.527 -0.001 0.000 0.310 1115 F C -0.512 175.215 175.800 -0.121 0.000 1.085 1115 F CA -1.145 56.784 58.000 -0.119 0.000 0.945 1115 F CB 2.217 41.147 39.000 -0.117 0.000 1.298 1115 F HN 0.344 nan 8.300 nan 0.000 0.455 1116 E N 1.200 121.422 120.200 0.038 0.000 2.234 1116 E HA 0.275 4.624 4.350 -0.001 0.000 0.266 1116 E C -2.122 174.455 176.600 -0.038 0.000 0.877 1116 E CA -0.694 55.687 56.400 -0.032 0.000 0.758 1116 E CB 1.749 31.428 29.700 -0.034 0.000 1.170 1116 E HN 0.575 nan 8.360 nan 0.000 0.415 1117 W N 5.874 126.974 121.300 -0.335 0.000 2.591 1117 W HA 0.376 5.036 4.660 -0.001 0.000 0.311 1117 W C -1.133 175.270 176.519 -0.194 0.000 1.003 1117 W CA -1.032 56.107 57.345 -0.343 0.000 1.332 1117 W CB 0.852 29.942 29.460 -0.615 0.000 1.272 1117 W HN 0.546 nan 8.180 nan 0.000 0.412 1118 R N 3.160 123.805 120.500 0.242 0.000 2.248 1118 R HA 0.465 4.805 4.340 -0.001 0.000 0.328 1118 R C 0.078 176.521 176.300 0.238 0.000 1.067 1118 R CA 0.141 56.343 56.100 0.170 0.000 0.924 1118 R CB 1.495 31.840 30.300 0.074 0.000 1.013 1118 R HN 0.269 nan 8.270 nan 0.000 0.454 1119 T N -0.221 114.421 114.554 0.146 0.000 2.942 1119 T HA 0.059 4.409 4.350 -0.001 0.000 0.327 1119 T C 1.163 175.924 174.700 0.101 0.000 1.360 1119 T CA -0.595 61.551 62.100 0.078 0.000 1.055 1119 T CB 1.491 70.214 68.868 -0.242 0.000 1.261 1119 T HN 0.681 nan 8.240 nan 0.000 0.485 1120 T N 1.076 115.711 114.554 0.135 0.000 2.977 1120 T HA 0.033 4.383 4.350 -0.001 0.000 0.271 1120 T C 1.938 176.710 174.700 0.120 0.000 1.105 1120 T CA 1.174 63.380 62.100 0.177 0.000 1.116 1120 T CB -0.373 68.597 68.868 0.171 0.000 0.878 1120 T HN 0.758 nan 8.240 nan 0.000 0.509 1121 A N 0.571 123.419 122.820 0.046 0.000 2.238 1121 A HA 0.710 5.030 4.320 -0.001 0.000 0.208 1121 A C 2.180 179.850 177.584 0.142 0.000 1.177 1121 A CA 0.578 52.652 52.037 0.062 0.000 0.804 1121 A CB -0.519 18.478 19.000 -0.005 0.000 0.823 1121 A HN 0.713 nan 8.150 nan 0.000 0.482 1122 A N -1.480 121.395 122.820 0.092 0.000 2.503 1122 A HA 0.411 4.730 4.320 -0.001 0.000 0.263 1122 A C 0.505 178.158 177.584 0.115 0.000 1.258 1122 A CA -0.133 51.999 52.037 0.159 0.000 0.936 1122 A CB -0.618 18.456 19.000 0.124 0.000 1.070 1122 A HN 0.403 nan 8.150 nan 0.000 0.522 1123 c N 0.285 118.929 118.600 0.074 0.000 2.534 1123 c HA 0.248 4.817 4.570 -0.001 0.000 0.385 1123 c C 1.805 175.867 174.090 -0.047 0.000 1.264 1123 c CA -0.363 55.963 56.329 -0.006 0.000 2.342 1123 c CB 0.709 43.165 42.510 -0.089 0.000 2.564 1123 c HN 0.615 nan 8.230 nan 0.000 0.603 1124 K N 0.275 120.624 120.400 -0.084 0.000 2.217 1124 K HA -0.035 4.284 4.320 -0.001 0.000 0.202 1124 K C 0.277 176.822 176.600 -0.091 0.000 1.051 1124 K CA 1.124 57.367 56.287 -0.073 0.000 0.952 1124 K CB 0.079 32.541 32.500 -0.063 0.000 0.736 1124 K HN 0.577 nan 8.250 nan 0.000 0.453 1125 K N 0.563 120.872 120.400 -0.152 0.000 2.244 1125 K HA 0.205 4.524 4.320 -0.001 0.000 0.260 1125 K C -0.176 176.375 176.600 -0.082 0.000 0.951 1125 K CA -0.251 55.962 56.287 -0.124 0.000 0.826 1125 K CB 1.515 33.917 32.500 -0.162 0.000 1.108 1125 K HN 0.007 nan 8.250 nan 0.000 0.433 1126 N N 1.487 120.176 118.700 -0.018 0.000 2.520 1126 N HA -0.132 4.607 4.740 -0.001 0.000 0.185 1126 N C 1.380 176.940 175.510 0.083 0.000 1.068 1126 N CA 0.155 53.223 53.050 0.029 0.000 0.911 1126 N CB 0.005 38.503 38.487 0.020 0.000 0.961 1126 N HN 0.465 nan 8.380 nan 0.000 0.446 1127 I N 0.183 120.812 120.570 0.098 0.000 2.530 1127 I HA -0.208 3.961 4.170 -0.001 0.000 0.257 1127 I C 0.811 177.120 176.117 0.320 0.000 1.179 1127 I CA 1.224 62.630 61.300 0.177 0.000 1.440 1127 I CB -0.179 37.932 38.000 0.185 0.000 1.087 1127 I HN 0.071 nan 8.210 nan 0.000 0.440 1128 F N 0.801 120.744 119.950 -0.011 0.000 2.664 1128 F HA 0.171 4.697 4.527 -0.001 0.000 0.296 1128 F C 1.245 177.049 175.800 0.006 0.000 1.125 1128 F CA 0.011 58.000 58.000 -0.018 0.000 1.444 1128 F CB -0.703 38.287 39.000 -0.017 0.000 1.114 1128 F HN -0.082 nan 8.300 nan 0.000 0.576 1129 K N 1.008 121.527 120.400 0.197 0.000 2.339 1129 K HA 0.455 4.774 4.320 -0.001 0.000 0.286 1129 K C 0.268 176.923 176.600 0.091 0.000 1.050 1129 K CA -0.307 56.057 56.287 0.129 0.000 0.956 1129 K CB 0.999 33.561 32.500 0.105 0.000 0.990 1129 K HN -0.010 nan 8.250 nan 0.000 0.475 1130 A N 2.321 125.192 122.820 0.085 0.000 2.351 1130 A HA 0.022 4.341 4.320 -0.001 0.000 0.257 1130 A C 1.157 178.782 177.584 0.068 0.000 1.087 1130 A CA -0.423 51.654 52.037 0.065 0.000 0.798 1130 A CB 0.255 19.297 19.000 0.069 0.000 1.033 1130 A HN 1.017 nan 8.150 nan 0.000 0.488 1131 N N -0.413 118.318 118.700 0.051 0.000 2.104 1131 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 1131 N C -0.013 175.537 175.510 0.067 0.000 1.024 1131 N CA 1.445 54.525 53.050 0.049 0.000 0.853 1131 N CB -0.011 38.495 38.487 0.032 0.000 1.008 1131 N HN 0.482 nan 8.380 nan 0.000 0.424 1132 K N 0.731 121.175 120.400 0.072 0.000 2.616 1132 K HA 0.240 4.559 4.320 -0.001 0.000 0.255 1132 K C -2.009 174.656 176.600 0.109 0.000 0.995 1132 K CA -0.474 55.872 56.287 0.098 0.000 0.860 1132 K CB 1.505 34.054 32.500 0.083 0.000 1.264 1132 K HN 0.156 nan 8.250 nan 0.000 0.451 1133 E N 2.954 123.240 120.200 0.145 0.000 2.314 1133 E HA 0.663 5.012 4.350 -0.001 0.000 0.272 1133 E C -1.228 175.452 176.600 0.133 0.000 0.884 1133 E CA -1.066 55.420 56.400 0.143 0.000 0.753 1133 E CB 1.716 31.503 29.700 0.146 0.000 1.213 1133 E HN 0.388 nan 8.360 nan 0.000 0.432 1134 V N 0.431 120.384 119.914 0.065 0.000 3.046 1134 V HA 0.707 4.826 4.120 -0.001 0.000 0.316 1134 V C -2.662 173.334 176.094 -0.163 0.000 1.104 1134 V CA -2.709 59.495 62.300 -0.160 0.000 1.006 1134 V CB 1.282 33.051 31.823 -0.090 0.000 1.058 1134 V HN 0.616 nan 8.190 nan 0.000 0.440 1135 P HA 0.107 nan 4.420 nan 0.000 0.262 1135 P C -0.276 176.991 177.300 -0.055 0.000 1.182 1135 P CA 0.285 63.256 63.100 -0.216 0.000 0.761 1135 P CB 0.328 31.580 31.700 -0.747 0.000 0.795 1136 c N 5.864 124.571 118.600 0.177 0.000 2.534 1136 c HA 0.472 5.041 4.570 -0.001 0.000 0.285 1136 c C -0.790 173.383 174.090 0.137 0.000 1.505 1136 c CA -0.230 56.143 56.329 0.074 0.000 1.715 1136 c CB -2.294 40.247 42.510 0.053 0.000 2.935 1136 c HN 0.630 nan 8.230 nan 0.000 0.540 1137 Y N -1.489 118.745 120.300 -0.109 0.000 2.713 1137 Y HA 0.802 5.351 4.550 -0.001 0.000 0.335 1137 Y C -0.872 174.944 175.900 -0.140 0.000 1.222 1137 Y CA -0.646 57.372 58.100 -0.138 0.000 1.061 1137 Y CB 0.644 39.015 38.460 -0.148 0.000 1.314 1137 Y HN 0.191 nan 8.280 nan 0.000 0.453 1138 A N 1.381 124.070 122.820 -0.219 0.000 2.594 1138 A HA 0.698 5.017 4.320 -0.001 0.000 0.296 1138 A C -2.345 175.180 177.584 -0.098 0.000 1.061 1138 A CA -0.750 51.138 52.037 -0.248 0.000 0.689 1138 A CB 0.801 19.692 19.000 -0.181 0.000 1.280 1138 A HN 0.625 nan 8.150 nan 0.000 0.406 1139 F N 1.741 121.755 119.950 0.106 0.000 2.404 1139 F HA 0.449 4.975 4.527 -0.001 0.000 0.339 1139 F C 0.827 176.696 175.800 0.114 0.000 1.105 1139 F CA 0.031 58.135 58.000 0.173 0.000 1.087 1139 F CB 1.506 40.589 39.000 0.139 0.000 1.143 1139 F HN 0.750 nan 8.300 nan 0.000 0.491 1140 D N 1.079 121.689 120.400 0.350 0.000 2.478 1140 D HA 0.258 4.898 4.640 -0.001 0.000 0.269 1140 D C 0.900 177.291 176.300 0.152 0.000 1.232 1140 D CA -0.585 53.523 54.000 0.181 0.000 1.059 1140 D CB 0.456 41.382 40.800 0.209 0.000 1.104 1140 D HN 0.405 nan 8.370 nan 0.000 0.566 1141 R N -0.615 119.937 120.500 0.087 0.000 2.170 1141 R HA -0.129 4.210 4.340 -0.001 0.000 0.242 1141 R C 1.257 177.583 176.300 0.043 0.000 1.145 1141 R CA 1.494 57.627 56.100 0.055 0.000 0.984 1141 R CB -0.365 29.955 30.300 0.033 0.000 0.869 1141 R HN 0.588 nan 8.270 nan 0.000 0.455 1142 E N 0.363 120.598 120.200 0.059 0.000 2.479 1142 E HA 0.104 4.454 4.350 -0.001 0.000 0.193 1142 E C 0.009 176.628 176.600 0.032 0.000 1.049 1142 E CA 0.010 56.424 56.400 0.024 0.000 0.870 1142 E CB 0.329 30.031 29.700 0.003 0.000 0.944 1142 E HN 0.150 nan 8.360 nan 0.000 0.492 1143 L N 0.130 121.408 121.223 0.092 0.000 4.140 1143 L HA -0.258 4.081 4.340 -0.001 0.000 0.406 1143 L C -0.430 176.604 176.870 0.273 0.000 1.175 1143 L CA 0.630 55.533 54.840 0.105 0.000 0.939 1143 L CB -1.543 40.484 42.059 -0.053 0.000 2.105 1143 L HN 0.142 nan 8.230 nan 0.000 0.803 1144 K N 1.094 121.660 120.400 0.278 0.000 2.156 1144 K HA 0.482 4.801 4.320 -0.001 0.000 0.271 1144 K C 0.153 176.911 176.600 0.264 0.000 0.995 1144 K CA -0.671 55.728 56.287 0.187 0.000 0.890 1144 K CB 2.017 34.485 32.500 -0.054 0.000 1.073 1144 K HN -0.001 nan 8.250 nan 0.000 0.454 1145 K N 2.965 123.417 120.400 0.088 0.000 2.172 1145 K HA 0.131 4.450 4.320 -0.001 0.000 0.276 1145 K C -0.859 175.616 176.600 -0.208 0.000 1.013 1145 K CA -0.482 55.670 56.287 -0.224 0.000 0.913 1145 K CB 0.645 32.910 32.500 -0.391 0.000 1.055 1145 K HN 0.632 nan 8.250 nan 0.000 0.461 1146 H N 2.957 121.964 119.070 -0.104 0.000 2.595 1146 H HA 0.141 4.696 4.556 -0.001 0.000 0.313 1146 H C -1.107 174.189 175.328 -0.055 0.000 1.023 1146 H CA -0.686 55.339 56.048 -0.039 0.000 1.218 1146 H CB 1.460 31.199 29.762 -0.039 0.000 1.403 1146 H HN 0.593 nan 8.280 nan 0.000 0.477 1147 D N 3.827 124.241 120.400 0.024 0.000 2.492 1147 D HA 0.105 4.744 4.640 -0.001 0.000 0.248 1147 D C 0.030 176.311 176.300 -0.031 0.000 1.101 1147 D CA -0.608 53.396 54.000 0.006 0.000 0.840 1147 D CB 1.589 42.364 40.800 -0.041 0.000 1.209 1147 D HN 0.257 nan 8.370 nan 0.000 0.524 1148 L N 3.858 125.017 121.223 -0.107 0.000 2.728 1148 L HA 0.252 4.591 4.340 -0.001 0.000 0.238 1148 L C 1.572 178.319 176.870 -0.205 0.000 1.143 1148 L CA 0.124 54.822 54.840 -0.237 0.000 0.937 1148 L CB -0.944 40.852 42.059 -0.437 0.000 1.225 1148 L HN 0.344 nan 8.230 nan 0.000 0.507 1149 N N 0.608 119.241 118.700 -0.111 0.000 2.137 1149 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 1149 N C -0.992 174.444 175.510 -0.123 0.000 1.017 1149 N CA 1.481 54.487 53.050 -0.073 0.000 0.859 1149 N CB -0.628 37.840 38.487 -0.031 0.000 1.002 1149 N HN 0.244 nan 8.380 nan 0.000 0.428 1150 P HA -0.087 nan 4.420 nan 0.000 0.222 1150 P C 0.733 177.833 177.300 -0.334 0.000 1.147 1150 P CA 0.913 63.829 63.100 -0.306 0.000 0.790 1150 P CB 0.126 31.505 31.700 -0.535 0.000 0.780 1151 L N -1.834 119.177 121.223 -0.354 0.000 2.509 1151 L HA 0.102 4.441 4.340 -0.001 0.000 0.222 1151 L C 0.995 177.925 176.870 0.099 0.000 1.123 1151 L CA -0.171 54.572 54.840 -0.162 0.000 0.856 1151 L CB -0.323 41.526 42.059 -0.351 0.000 0.985 1151 L HN -0.089 nan 8.230 nan 0.000 0.456 1152 I N 1.362 121.949 120.570 0.030 0.000 2.662 1152 I HA -0.071 4.098 4.170 -0.001 0.000 0.285 1152 I C 0.445 176.614 176.117 0.087 0.000 1.161 1152 I CA 0.561 61.918 61.300 0.094 0.000 1.415 1152 I CB 0.147 38.177 38.000 0.051 0.000 1.385 1152 I HN 0.067 nan 8.210 nan 0.000 0.552 1153 K N 4.280 124.748 120.400 0.113 0.000 2.172 1153 K HA 0.234 4.553 4.320 -0.001 0.000 0.276 1153 K C 1.006 177.594 176.600 -0.020 0.000 1.013 1153 K CA -0.309 55.983 56.287 0.008 0.000 0.913 1153 K CB 1.384 33.847 32.500 -0.060 0.000 1.055 1153 K HN 0.669 nan 8.250 nan 0.000 0.461 1154 T N -2.390 112.122 114.554 -0.069 0.000 3.044 1154 T HA 0.032 4.381 4.350 -0.001 0.000 0.250 1154 T C 0.656 175.294 174.700 -0.103 0.000 1.081 1154 T CA -0.167 61.876 62.100 -0.096 0.000 1.040 1154 T CB 0.320 69.087 68.868 -0.169 0.000 0.962 1154 T HN 0.273 nan 8.240 nan 0.000 0.506 1155 S N -0.047 115.587 115.700 -0.109 0.000 2.736 1155 S HA 0.607 5.076 4.470 -0.001 0.000 0.285 1155 S C 0.133 174.653 174.600 -0.132 0.000 1.163 1155 S CA 0.247 58.378 58.200 -0.115 0.000 1.025 1155 S CB 0.502 63.628 63.200 -0.124 0.000 1.030 1155 S HN 1.244 nan 8.310 nan 0.000 0.486 1156 G N 2.990 111.713 108.800 -0.128 0.000 2.627 1156 G HA2 0.430 4.389 3.960 -0.001 0.000 0.214 1156 G HA3 0.430 4.389 3.960 -0.001 0.000 0.214 1156 G C -0.242 174.573 174.900 -0.142 0.000 1.331 1156 G CA -0.270 44.732 45.100 -0.164 0.000 0.891 1156 G HN 1.808 nan 8.290 nan 0.000 0.539 1157 A N -2.027 120.693 122.820 -0.166 0.000 2.529 1157 A HA 0.857 5.176 4.320 -0.001 0.000 0.296 1157 A C -1.464 176.084 177.584 -0.061 0.000 1.205 1157 A CA -0.533 51.474 52.037 -0.051 0.000 0.671 1157 A CB 0.691 19.745 19.000 0.090 0.000 1.301 1157 A HN 1.620 nan 8.150 nan 0.000 0.450 1158 Y N -0.206 120.204 120.300 0.184 0.000 2.342 1158 Y HA 0.554 5.103 4.550 -0.001 0.000 0.334 1158 Y C 0.273 176.273 175.900 0.167 0.000 1.067 1158 Y CA -0.380 57.802 58.100 0.137 0.000 1.128 1158 Y CB 1.481 39.959 38.460 0.030 0.000 1.200 1158 Y HN 0.631 nan 8.280 nan 0.000 0.464 1159 L N 4.238 125.610 121.223 0.250 0.000 2.319 1159 L HA 0.440 4.779 4.340 -0.001 0.000 0.280 1159 L C -0.882 175.906 176.870 -0.136 0.000 1.099 1159 L CA -0.583 54.259 54.840 0.004 0.000 0.828 1159 L CB 0.366 42.446 42.059 0.035 0.000 1.150 1159 L HN 0.439 nan 8.230 nan 0.000 0.442 1160 V N 3.913 123.681 119.914 -0.244 0.000 2.607 1160 V HA 0.171 4.291 4.120 -0.001 0.000 0.289 1160 V C -0.167 175.798 176.094 -0.215 0.000 1.053 1160 V CA -0.673 61.484 62.300 -0.239 0.000 0.996 1160 V CB 1.492 33.182 31.823 -0.221 0.000 0.995 1160 V HN 0.645 nan 8.190 nan 0.000 0.476 1161 D N 3.177 123.463 120.400 -0.190 0.000 2.317 1161 D HA 0.468 5.107 4.640 -0.001 0.000 0.252 1161 D C -0.442 175.786 176.300 -0.121 0.000 1.174 1161 D CA 0.134 54.047 54.000 -0.145 0.000 0.866 1161 D CB 0.932 41.654 40.800 -0.130 0.000 1.127 1161 D HN 0.894 nan 8.370 nan 0.000 0.467 1162 D N -1.315 119.021 120.400 -0.108 0.000 2.609 1162 D HA 0.254 4.894 4.640 -0.001 0.000 0.239 1162 D C -0.152 176.103 176.300 -0.075 0.000 1.229 1162 D CA -0.715 53.235 54.000 -0.085 0.000 0.808 1162 D CB 0.856 41.605 40.800 -0.084 0.000 1.448 1162 D HN -0.032 nan 8.370 nan 0.000 0.433 1163 S N -0.617 115.046 115.700 -0.063 0.000 2.527 1163 S HA -0.021 4.448 4.470 -0.001 0.000 0.222 1163 S C 0.285 174.850 174.600 -0.057 0.000 0.985 1163 S CA 0.045 58.212 58.200 -0.056 0.000 0.921 1163 S CB -0.328 62.843 63.200 -0.048 0.000 0.772 1163 S HN 0.553 nan 8.310 nan 0.000 0.529 1164 D N 2.318 122.678 120.400 -0.067 0.000 2.348 1164 D HA 0.099 4.739 4.640 -0.001 0.000 0.259 1164 D C -1.976 174.282 176.300 -0.069 0.000 1.296 1164 D CA -1.711 52.246 54.000 -0.071 0.000 0.931 1164 D CB 1.207 41.956 40.800 -0.085 0.000 1.067 1164 D HN 0.086 nan 8.370 nan 0.000 0.503 1165 P HA -0.023 nan 4.420 nan 0.000 0.225 1165 P C 0.737 178.013 177.300 -0.040 0.000 1.156 1165 P CA 0.481 63.554 63.100 -0.045 0.000 0.787 1165 P CB 0.400 32.081 31.700 -0.033 0.000 0.802 1166 D N -0.329 120.045 120.400 -0.042 0.000 2.325 1166 D HA 0.031 4.670 4.640 -0.001 0.000 0.225 1166 D C -0.204 176.074 176.300 -0.037 0.000 1.096 1166 D CA 0.481 54.464 54.000 -0.029 0.000 0.844 1166 D CB 0.394 41.180 40.800 -0.022 0.000 0.925 1166 D HN 0.190 nan 8.370 nan 0.000 0.513 1167 T N -2.729 111.786 114.554 -0.066 0.000 2.956 1167 T HA 0.500 4.849 4.350 -0.001 0.000 0.312 1167 T C -0.686 173.933 174.700 -0.135 0.000 1.151 1167 T CA -0.766 61.282 62.100 -0.087 0.000 1.024 1167 T CB 1.952 70.740 68.868 -0.134 0.000 1.140 1167 T HN -0.246 nan 8.240 nan 0.000 0.473 1168 S N 2.116 117.714 115.700 -0.169 0.000 2.482 1168 S HA 0.657 5.126 4.470 -0.001 0.000 0.303 1168 S C -0.877 173.419 174.600 -0.507 0.000 1.091 1168 S CA -0.900 57.075 58.200 -0.376 0.000 1.057 1168 S CB 1.150 64.104 63.200 -0.410 0.000 1.031 1168 S HN 0.776 nan 8.310 nan 0.000 0.485 1169 L N 4.008 124.866 121.223 -0.608 0.000 2.305 1169 L HA 0.595 4.934 4.340 -0.001 0.000 0.284 1169 L C -1.774 174.738 176.870 -0.598 0.000 1.013 1169 L CA -0.573 53.968 54.840 -0.498 0.000 0.819 1169 L CB 0.500 42.332 42.059 -0.378 0.000 1.227 1169 L HN 0.620 nan 8.230 nan 0.000 0.417 1170 F N 5.562 125.474 119.950 -0.064 0.000 2.480 1170 F HA 0.607 5.134 4.527 -0.001 0.000 0.329 1170 F C 0.402 176.215 175.800 0.022 0.000 1.091 1170 F CA -0.730 57.263 58.000 -0.011 0.000 0.972 1170 F CB 1.852 40.849 39.000 -0.004 0.000 1.150 1170 F HN 0.296 nan 8.300 nan 0.000 0.467 1171 I N -0.321 120.428 120.570 0.298 0.000 2.994 1171 I HA 0.669 4.838 4.170 -0.001 0.000 0.306 1171 I C -1.596 174.760 176.117 0.398 0.000 1.195 1171 I CA -0.818 60.657 61.300 0.293 0.000 1.001 1171 I CB 2.380 40.551 38.000 0.285 0.000 1.244 1171 I HN 0.477 nan 8.210 nan 0.000 0.437 1172 N N 1.901 120.822 118.700 0.368 0.000 2.545 1172 N HA 0.678 5.417 4.740 -0.001 0.000 0.289 1172 N C -1.698 174.093 175.510 0.468 0.000 1.279 1172 N CA -0.624 52.668 53.050 0.403 0.000 0.824 1172 N CB 2.541 41.158 38.487 0.217 0.000 1.395 1172 N HN 0.549 nan 8.380 nan 0.000 0.526 1173 V N 1.324 121.486 119.914 0.413 0.000 2.384 1173 V HA 0.290 4.410 4.120 -0.001 0.000 0.287 1173 V C 0.391 176.644 176.094 0.265 0.000 1.020 1173 V CA -0.580 61.937 62.300 0.361 0.000 0.850 1173 V CB 0.537 32.486 31.823 0.211 0.000 0.987 1173 V HN 0.992 nan 8.190 nan 0.000 0.436 1174 c N 3.519 122.318 118.600 0.332 0.000 4.400 1174 c HA -0.153 4.416 4.570 -0.001 0.000 0.275 1174 c C 0.920 175.135 174.090 0.209 0.000 1.391 1174 c CA 1.554 58.030 56.329 0.245 0.000 1.816 1174 c CB -2.637 39.943 42.510 0.115 0.000 1.404 1174 c HN 1.095 nan 8.230 nan 0.000 0.754 1175 R N 0.094 120.708 120.500 0.191 0.000 2.741 1175 R HA 0.558 4.897 4.340 -0.001 0.000 0.274 1175 R C -1.118 175.194 176.300 0.021 0.000 1.029 1175 R CA -0.421 55.738 56.100 0.099 0.000 0.880 1175 R CB 0.443 30.801 30.300 0.097 0.000 1.264 1175 R HN 0.254 nan 8.270 nan 0.000 0.465 1176 D N 1.230 121.629 120.400 -0.001 0.000 2.360 1176 D HA 0.128 4.767 4.640 -0.001 0.000 0.242 1176 D C -0.087 176.210 176.300 -0.005 0.000 1.184 1176 D CA -0.229 53.751 54.000 -0.033 0.000 0.930 1176 D CB 1.017 41.807 40.800 -0.016 0.000 1.161 1176 D HN 0.389 nan 8.370 nan 0.000 0.447 1177 I N 0.549 121.111 120.570 -0.014 0.000 2.371 1177 I HA -0.010 4.159 4.170 -0.001 0.000 0.290 1177 I C 0.604 176.704 176.117 -0.029 0.000 1.028 1177 I CA -0.571 60.723 61.300 -0.010 0.000 1.345 1177 I CB 0.933 38.927 38.000 -0.010 0.000 1.407 1177 I HN 0.349 nan 8.210 nan 0.000 0.501 1178 E N 6.601 126.778 120.200 -0.039 0.000 2.104 1178 E HA 0.056 4.406 4.350 -0.001 0.000 0.278 1178 E C 0.463 177.023 176.600 -0.067 0.000 1.127 1178 E CA -0.232 56.139 56.400 -0.047 0.000 0.897 1178 E CB 0.844 30.511 29.700 -0.055 0.000 1.043 1178 E HN 0.479 nan 8.360 nan 0.000 0.410 1179 V N 2.990 122.868 119.914 -0.060 0.000 2.825 1179 V HA -0.011 4.109 4.120 -0.001 0.000 0.246 1179 V C 1.868 177.920 176.094 -0.069 0.000 1.068 1179 V CA 0.694 62.949 62.300 -0.075 0.000 1.088 1179 V CB -0.689 31.095 31.823 -0.064 0.000 0.733 1179 V HN 0.579 nan 8.190 nan 0.000 0.468 1180 L N 0.023 121.215 121.223 -0.052 0.000 2.079 1180 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 1180 L C 2.311 179.150 176.870 -0.051 0.000 1.081 1180 L CA 1.750 56.563 54.840 -0.045 0.000 0.752 1180 L CB -0.455 41.585 42.059 -0.031 0.000 0.896 1180 L HN 0.284 nan 8.230 nan 0.000 0.433 1181 R N -0.304 120.160 120.500 -0.060 0.000 2.613 1181 R HA 0.355 4.695 4.340 -0.001 0.000 0.361 1181 R C 0.165 176.413 176.300 -0.087 0.000 1.072 1181 R CA -0.067 55.993 56.100 -0.066 0.000 1.089 1181 R CB 0.434 30.698 30.300 -0.060 0.000 1.343 1181 R HN 0.114 nan 8.270 nan 0.000 0.571 1182 A N 0.707 123.466 122.820 -0.101 0.000 2.561 1182 A HA 0.080 4.400 4.320 -0.001 0.000 0.234 1182 A C 1.441 178.947 177.584 -0.130 0.000 1.055 1182 A CA 0.567 52.525 52.037 -0.132 0.000 0.756 1182 A CB 0.280 19.181 19.000 -0.165 0.000 0.986 1182 A HN 0.488 nan 8.150 nan 0.000 0.505 1183 S N 1.592 117.207 115.700 -0.142 0.000 2.402 1183 S HA -0.048 4.421 4.470 -0.001 0.000 0.229 1183 S C 1.170 175.695 174.600 -0.125 0.000 1.021 1183 S CA 1.070 59.194 58.200 -0.127 0.000 0.974 1183 S CB -0.384 62.735 63.200 -0.134 0.000 0.800 1183 S HN 1.137 nan 8.310 nan 0.000 0.484 1184 S N 2.699 118.301 115.700 -0.162 0.000 2.499 1184 S HA 0.401 4.870 4.470 -0.001 0.000 0.279 1184 S C -1.315 173.191 174.600 -0.157 0.000 1.219 1184 S CA -1.735 56.368 58.200 -0.163 0.000 1.062 1184 S CB 1.336 64.391 63.200 -0.242 0.000 0.978 1184 S HN 0.204 nan 8.310 nan 0.000 0.489 1185 P HA -0.148 nan 4.420 nan 0.000 0.217 1185 P C 1.038 178.284 177.300 -0.091 0.000 1.151 1185 P CA 1.134 64.185 63.100 -0.081 0.000 0.828 1185 P CB 0.146 31.817 31.700 -0.047 0.000 0.788 1186 Q N -0.077 119.669 119.800 -0.091 0.000 2.030 1186 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 1186 Q C 2.390 178.280 176.000 -0.183 0.000 0.986 1186 Q CA 1.514 57.278 55.803 -0.065 0.000 0.843 1186 Q CB -0.868 27.901 28.738 0.053 0.000 0.904 1186 Q HN 0.080 nan 8.270 nan 0.000 0.420 1187 V N 1.137 120.788 119.914 -0.438 0.000 2.380 1187 V HA -0.292 3.827 4.120 -0.001 0.000 0.251 1187 V C 2.045 177.999 176.094 -0.233 0.000 1.063 1187 V CA 1.913 63.907 62.300 -0.509 0.000 1.055 1187 V CB -0.587 30.863 31.823 -0.623 0.000 0.657 1187 V HN 0.303 nan 8.190 nan 0.000 0.455 1188 R N -0.262 120.135 120.500 -0.173 0.000 2.249 1188 R HA -0.086 4.253 4.340 -0.001 0.000 0.230 1188 R C 1.771 178.027 176.300 -0.073 0.000 1.121 1188 R CA 1.027 57.063 56.100 -0.108 0.000 0.997 1188 R CB -0.308 29.939 30.300 -0.088 0.000 0.867 1188 R HN 0.482 nan 8.270 nan 0.000 0.465 1189 V N -0.277 119.600 119.914 -0.063 0.000 3.623 1189 V HA -0.016 4.103 4.120 -0.001 0.000 0.271 1189 V C 0.903 176.985 176.094 -0.020 0.000 1.248 1189 V CA 0.077 62.358 62.300 -0.032 0.000 1.156 1189 V CB -0.379 31.438 31.823 -0.009 0.000 0.870 1189 V HN 0.268 nan 8.190 nan 0.000 0.453 1190 c N 1.592 120.175 118.600 -0.027 0.000 2.657 1190 c HA 0.330 4.900 4.570 -0.001 0.000 0.404 1190 c C -1.685 172.399 174.090 -0.010 0.000 1.291 1190 c CA -0.813 55.515 56.329 -0.000 0.000 2.218 1190 c CB 0.200 42.708 42.510 -0.004 0.000 2.687 1190 c HN 0.312 nan 8.230 nan 0.000 0.634 1191 P HA 0.164 nan 4.420 nan 0.000 0.271 1191 P C -0.114 177.182 177.300 -0.007 0.000 1.218 1191 P CA 0.137 63.233 63.100 -0.006 0.000 0.780 1191 P CB 0.297 32.001 31.700 0.006 0.000 0.901 1192 T N -0.326 114.222 114.554 -0.011 0.000 2.916 1192 T HA 0.385 4.735 4.350 -0.001 0.000 0.303 1192 T C 1.216 175.913 174.700 -0.005 0.000 1.025 1192 T CA 0.461 62.554 62.100 -0.010 0.000 1.142 1192 T CB -0.207 68.656 68.868 -0.008 0.000 0.947 1192 T HN 0.824 nan 8.240 nan 0.000 0.544 1193 G N 1.866 110.661 108.800 -0.008 0.000 2.199 1193 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.254 1193 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.254 1193 G C 0.328 175.213 174.900 -0.025 0.000 0.982 1193 G CA -0.008 45.087 45.100 -0.007 0.000 0.632 1193 G HN 1.581 nan 8.290 nan 0.000 0.529 1194 A N 0.099 122.903 122.820 -0.027 0.000 2.363 1194 A HA 0.853 5.172 4.320 -0.001 0.000 0.270 1194 A C 1.367 178.891 177.584 -0.099 0.000 1.121 1194 A CA 0.892 52.901 52.037 -0.047 0.000 0.800 1194 A CB 1.061 20.059 19.000 -0.003 0.000 1.052 1194 A HN 1.670 nan 8.150 nan 0.000 0.493 1195 A N 1.666 124.346 122.820 -0.233 0.000 2.095 1195 A HA 0.576 4.896 4.320 -0.001 0.000 0.212 1195 A C 1.058 178.514 177.584 -0.213 0.000 1.162 1195 A CA 1.132 52.924 52.037 -0.409 0.000 0.753 1195 A CB -0.066 18.195 19.000 -1.230 0.000 0.840 1195 A HN 1.956 nan 8.150 nan 0.000 0.468 1196 A N -1.154 121.601 122.820 -0.109 0.000 2.398 1196 A HA 0.563 4.882 4.320 -0.001 0.000 0.301 1196 A C -0.869 176.734 177.584 0.031 0.000 1.041 1196 A CA -0.255 51.797 52.037 0.024 0.000 0.711 1196 A CB 0.848 19.890 19.000 0.071 0.000 1.240 1196 A HN 0.812 nan 8.150 nan 0.000 0.420 1197 c N 3.397 122.042 118.600 0.075 0.000 2.547 1197 c HA 0.805 5.374 4.570 -0.001 0.000 0.313 1197 c C -1.441 172.715 174.090 0.110 0.000 1.191 1197 c CA -0.606 55.798 56.329 0.125 0.000 1.474 1197 c CB 0.647 43.259 42.510 0.170 0.000 2.081 1197 c HN 1.067 nan 8.230 nan 0.000 0.476 1198 L N 6.666 127.972 121.223 0.138 0.000 2.305 1198 L HA 0.738 5.077 4.340 -0.001 0.000 0.284 1198 L C -0.650 176.380 176.870 0.267 0.000 1.013 1198 L CA -0.015 54.873 54.840 0.080 0.000 0.819 1198 L CB 1.621 43.661 42.059 -0.032 0.000 1.227 1198 L HN 0.596 nan 8.230 nan 0.000 0.417 1199 V N 6.159 126.184 119.914 0.186 0.000 2.394 1199 V HA 0.647 4.766 4.120 -0.001 0.000 0.282 1199 V C -0.101 176.096 176.094 0.172 0.000 1.031 1199 V CA -0.577 61.865 62.300 0.237 0.000 0.881 1199 V CB 1.429 33.404 31.823 0.253 0.000 0.982 1199 V HN 0.814 nan 8.190 nan 0.000 0.451 1200 R N 3.551 124.202 120.500 0.252 0.000 2.515 1200 R HA 0.506 4.846 4.340 -0.001 0.000 0.278 1200 R C 0.287 176.710 176.300 0.206 0.000 1.107 1200 R CA 0.119 56.333 56.100 0.191 0.000 0.945 1200 R CB 1.672 32.082 30.300 0.183 0.000 1.219 1200 R HN 1.056 nan 8.270 nan 0.000 0.434 1201 G N 3.878 112.754 108.800 0.126 0.000 2.372 1201 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.297 1201 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.297 1201 G C 0.296 175.252 174.900 0.095 0.000 1.005 1201 G CA 1.146 46.308 45.100 0.104 0.000 1.173 1201 G HN 1.107 nan 8.290 nan 0.000 0.511 1202 D N -2.229 118.220 120.400 0.083 0.000 3.059 1202 D HA -0.213 4.426 4.640 -0.001 0.000 0.222 1202 D C 0.933 177.265 176.300 0.054 0.000 1.185 1202 D CA 2.068 56.104 54.000 0.061 0.000 0.904 1202 D CB -0.243 40.580 40.800 0.038 0.000 1.122 1202 D HN 0.943 nan 8.370 nan 0.000 0.410 1203 R N -0.365 120.189 120.500 0.089 0.000 2.514 1203 R HA 0.796 5.135 4.340 -0.001 0.000 0.301 1203 R C -0.536 175.822 176.300 0.096 0.000 0.962 1203 R CA -0.324 55.792 56.100 0.027 0.000 0.882 1203 R CB 2.064 32.366 30.300 0.003 0.000 1.143 1203 R HN 0.073 nan 8.270 nan 0.000 0.452 1204 A N 3.257 126.060 122.820 -0.029 0.000 2.342 1204 A HA 0.741 5.060 4.320 -0.001 0.000 0.323 1204 A C -1.197 176.379 177.584 -0.013 0.000 1.125 1204 A CA -0.553 51.552 52.037 0.113 0.000 0.785 1204 A CB 0.652 19.704 19.000 0.087 0.000 1.221 1204 A HN 0.531 nan 8.150 nan 0.000 0.463 1205 F N 0.614 120.629 119.950 0.108 0.000 2.538 1205 F HA 0.413 4.939 4.527 -0.001 0.000 0.325 1205 F C 0.292 176.138 175.800 0.077 0.000 1.066 1205 F CA -0.977 57.084 58.000 0.102 0.000 0.946 1205 F CB 1.670 40.777 39.000 0.178 0.000 1.199 1205 F HN 0.534 nan 8.300 nan 0.000 0.473 1206 D N 1.693 122.235 120.400 0.236 0.000 2.428 1206 D HA 0.127 4.767 4.640 -0.001 0.000 0.221 1206 D C 0.004 176.403 176.300 0.164 0.000 1.123 1206 D CA 0.290 54.376 54.000 0.143 0.000 0.869 1206 D CB 1.543 42.393 40.800 0.084 0.000 1.032 1206 D HN 0.411 nan 8.370 nan 0.000 0.506 1207 V N 3.161 123.161 119.914 0.142 0.000 3.444 1207 V HA 0.454 4.573 4.120 -0.001 0.000 0.308 1207 V C 0.337 176.522 176.094 0.152 0.000 1.371 1207 V CA 0.790 63.186 62.300 0.159 0.000 1.141 1207 V CB -0.206 31.672 31.823 0.092 0.000 1.037 1207 V HN 0.686 nan 8.190 nan 0.000 0.433 1208 G N 0.745 109.607 108.800 0.103 0.000 2.219 1208 G HA2 0.404 4.363 3.960 -0.001 0.000 0.304 1208 G HA3 0.404 4.363 3.960 -0.001 0.000 0.304 1208 G C -1.219 173.652 174.900 -0.049 0.000 1.712 1208 G CA -0.931 44.237 45.100 0.113 0.000 0.905 1208 G HN 0.250 nan 8.290 nan 0.000 0.706 1209 R N 2.212 122.705 120.500 -0.012 0.000 2.832 1209 R HA 0.680 5.019 4.340 -0.001 0.000 0.271 1209 R C -2.457 173.825 176.300 -0.029 0.000 0.996 1209 R CA -1.949 54.093 56.100 -0.097 0.000 0.977 1209 R CB 2.771 33.068 30.300 -0.004 0.000 1.168 1209 R HN 0.393 nan 8.270 nan 0.000 0.482 1210 P HA -0.012 nan 4.420 nan 0.000 0.271 1210 P C -1.025 176.395 177.300 0.200 0.000 1.226 1210 P CA 0.321 63.523 63.100 0.171 0.000 0.765 1210 P CB 1.681 33.450 31.700 0.113 0.000 0.835 1211 Q N 3.006 122.954 119.800 0.247 0.000 2.435 1211 Q HA 0.078 4.418 4.340 -0.001 0.000 0.180 1211 Q C 0.297 176.422 176.000 0.209 0.000 0.699 1211 Q CA -0.084 55.836 55.803 0.194 0.000 0.805 1211 Q CB 0.430 29.264 28.738 0.160 0.000 1.157 1211 Q HN 0.616 nan 8.270 nan 0.000 0.570 1212 E N -0.284 120.017 120.200 0.168 0.000 2.250 1212 E HA 0.531 4.880 4.350 -0.001 0.000 0.269 1212 E C -0.085 176.561 176.600 0.077 0.000 1.018 1212 E CA -0.656 55.834 56.400 0.150 0.000 0.873 1212 E CB 1.238 30.992 29.700 0.090 0.000 1.134 1212 E HN 0.339 nan 8.360 nan 0.000 0.403 1213 G N 1.468 110.268 108.800 -0.000 0.000 2.716 1213 G HA2 0.094 4.054 3.960 -0.001 0.000 0.251 1213 G HA3 0.094 4.054 3.960 -0.001 0.000 0.251 1213 G C -0.025 174.811 174.900 -0.107 0.000 1.224 1213 G CA -0.763 44.253 45.100 -0.141 0.000 0.891 1213 G HN 0.464 nan 8.290 nan 0.000 0.561 1214 L N -0.231 120.906 121.223 -0.143 0.000 2.525 1214 L HA 0.201 4.540 4.340 -0.001 0.000 0.278 1214 L C 0.186 176.975 176.870 -0.135 0.000 1.218 1214 L CA 0.927 55.687 54.840 -0.134 0.000 0.878 1214 L CB 0.188 42.140 42.059 -0.178 0.000 1.127 1214 L HN 0.495 nan 8.230 nan 0.000 0.492 1215 K N 5.661 126.007 120.400 -0.090 0.000 2.259 1215 K HA 0.473 4.793 4.320 -0.001 0.000 0.252 1215 K C -0.900 175.654 176.600 -0.077 0.000 0.936 1215 K CA -0.690 55.550 56.287 -0.078 0.000 0.810 1215 K CB 2.394 34.867 32.500 -0.045 0.000 1.143 1215 K HN 0.565 nan 8.250 nan 0.000 0.427 1216 L N 4.496 125.667 121.223 -0.088 0.000 2.276 1216 L HA 0.183 4.522 4.340 -0.001 0.000 0.286 1216 L C 0.574 177.401 176.870 -0.072 0.000 1.024 1216 L CA -0.440 54.338 54.840 -0.104 0.000 0.826 1216 L CB 0.994 42.966 42.059 -0.145 0.000 1.211 1216 L HN 0.678 nan 8.230 nan 0.000 0.422 1217 V N 0.979 120.860 119.914 -0.056 0.000 2.490 1217 V HA 0.247 4.366 4.120 -0.001 0.000 0.238 1217 V C 0.910 176.981 176.094 -0.038 0.000 1.056 1217 V CA 0.534 62.812 62.300 -0.037 0.000 1.075 1217 V CB 0.301 32.111 31.823 -0.021 0.000 0.746 1217 V HN 0.634 nan 8.190 nan 0.000 0.479 1218 S N 0.789 116.464 115.700 -0.041 0.000 2.608 1218 S HA 0.279 4.748 4.470 -0.001 0.000 0.291 1218 S C 1.114 175.678 174.600 -0.060 0.000 1.146 1218 S CA -0.078 58.101 58.200 -0.036 0.000 1.043 1218 S CB 1.020 64.208 63.200 -0.020 0.000 1.037 1218 S HN 0.548 nan 8.310 nan 0.000 0.520 1219 N N 2.443 121.118 118.700 -0.041 0.000 2.133 1219 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 1219 N C 0.570 176.049 175.510 -0.052 0.000 1.012 1219 N CA 2.256 55.283 53.050 -0.038 0.000 0.871 1219 N CB -0.289 38.199 38.487 0.002 0.000 1.011 1219 N HN 0.875 nan 8.380 nan 0.000 0.435 1220 D N -1.502 118.881 120.400 -0.028 0.000 2.462 1220 D HA 0.135 4.774 4.640 -0.001 0.000 0.221 1220 D C -0.219 176.077 176.300 -0.006 0.000 1.173 1220 D CA -0.217 53.781 54.000 -0.003 0.000 0.831 1220 D CB 0.302 41.109 40.800 0.011 0.000 1.001 1220 D HN 0.152 nan 8.370 nan 0.000 0.499 1221 R N 0.453 120.931 120.500 -0.036 0.000 2.532 1221 R HA 0.597 4.936 4.340 -0.001 0.000 0.297 1221 R C -0.950 175.340 176.300 -0.017 0.000 0.984 1221 R CA -0.590 55.509 56.100 -0.001 0.000 0.884 1221 R CB 2.409 32.713 30.300 0.007 0.000 1.182 1221 R HN -0.028 nan 8.270 nan 0.000 0.442 1222 L N 3.072 124.325 121.223 0.050 0.000 2.342 1222 L HA 0.744 5.083 4.340 -0.001 0.000 0.271 1222 L C -0.412 176.564 176.870 0.177 0.000 1.008 1222 L CA -1.227 53.640 54.840 0.045 0.000 0.818 1222 L CB 2.125 44.168 42.059 -0.026 0.000 1.296 1222 L HN 0.368 nan 8.230 nan 0.000 0.427 1223 V N 0.690 120.669 119.914 0.109 0.000 2.876 1223 V HA 0.745 4.865 4.120 -0.001 0.000 0.312 1223 V C -1.324 174.821 176.094 0.085 0.000 1.085 1223 V CA -0.815 61.560 62.300 0.125 0.000 0.945 1223 V CB 2.199 34.043 31.823 0.036 0.000 1.017 1223 V HN 0.584 nan 8.190 nan 0.000 0.428 1224 L N 2.974 124.244 121.223 0.078 0.000 2.385 1224 L HA 0.844 5.183 4.340 -0.001 0.000 0.273 1224 L C -0.146 176.598 176.870 -0.209 0.000 0.990 1224 L CA 0.213 55.019 54.840 -0.057 0.000 0.821 1224 L CB 2.286 44.331 42.059 -0.024 0.000 1.279 1224 L HN 0.908 nan 8.230 nan 0.000 0.412 1225 S N 3.957 119.556 115.700 -0.170 0.000 2.449 1225 S HA 0.692 5.161 4.470 -0.001 0.000 0.310 1225 S C -1.407 173.193 174.600 -0.000 0.000 1.096 1225 S CA -0.263 57.873 58.200 -0.106 0.000 1.095 1225 S CB 0.758 63.959 63.200 0.002 0.000 1.007 1225 S HN 0.377 nan 8.310 nan 0.000 0.474 1226 Y N 1.681 122.040 120.300 0.099 0.000 2.393 1226 Y HA 0.630 5.179 4.550 -0.001 0.000 0.341 1226 Y C 0.141 176.101 175.900 0.099 0.000 0.988 1226 Y CA -1.440 56.720 58.100 0.100 0.000 1.078 1226 Y CB 1.359 39.882 38.460 0.105 0.000 1.203 1226 Y HN 0.454 nan 8.280 nan 0.000 0.453 1227 V N 0.364 120.435 119.914 0.260 0.000 2.925 1227 V HA 0.723 4.843 4.120 -0.001 0.000 0.311 1227 V C -0.646 175.532 176.094 0.140 0.000 1.104 1227 V CA -1.224 61.182 62.300 0.177 0.000 0.954 1227 V CB 2.228 34.133 31.823 0.137 0.000 1.022 1227 V HN 0.486 nan 8.190 nan 0.000 0.427 1235 D N 1.186 121.418 120.400 -0.280 0.000 2.564 1235 D HA -0.222 4.417 4.640 -0.001 0.000 0.209 1235 D C 1.546 177.713 176.300 -0.221 0.000 1.075 1235 D CA 2.193 56.076 54.000 -0.195 0.000 0.922 1235 D CB -0.473 40.300 40.800 -0.045 0.000 1.186 1235 D HN 0.614 nan 8.370 nan 0.000 0.487 1236 F N 0.619 120.576 119.950 0.013 0.000 2.500 1236 F HA -0.113 4.413 4.527 -0.001 0.000 0.294 1236 F C 2.153 177.954 175.800 0.002 0.000 1.101 1236 F CA -0.185 57.806 58.000 -0.015 0.000 1.484 1236 F CB -1.591 37.368 39.000 -0.067 0.000 1.110 1236 F HN -0.045 nan 8.300 nan 0.000 0.603 1237 c N 0.500 119.074 118.600 -0.043 0.000 2.468 1237 c HA -0.062 4.507 4.570 -0.001 0.000 0.277 1237 c C 0.718 174.888 174.090 0.133 0.000 1.400 1237 c CA -0.084 56.297 56.329 0.085 0.000 1.770 1237 c CB -1.335 41.183 42.510 0.013 0.000 1.905 1237 c HN 0.563 nan 8.230 nan 0.000 0.519 1238 D N 0.412 120.847 120.400 0.059 0.000 2.740 1238 D HA -0.140 4.499 4.640 -0.001 0.000 0.231 1238 D C 0.994 177.257 176.300 -0.061 0.000 1.194 1238 D CA 1.461 55.485 54.000 0.039 0.000 0.673 1238 D CB -1.440 39.421 40.800 0.101 0.000 0.995 1238 D HN 0.811 nan 8.370 nan 0.000 0.411 1239 G N 1.001 109.739 108.800 -0.103 0.000 2.298 1239 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.287 1239 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.287 1239 G C -0.266 174.370 174.900 -0.441 0.000 1.075 1239 G CA 0.205 45.169 45.100 -0.226 0.000 0.960 1239 G HN 0.742 nan 8.290 nan 0.000 0.502 1240 H N -0.486 118.588 119.070 0.006 0.000 3.017 1240 H HA 0.347 4.902 4.556 -0.001 0.000 0.340 1240 H C -0.182 175.164 175.328 0.030 0.000 1.014 1240 H CA -0.431 55.626 56.048 0.015 0.000 1.341 1240 H CB 1.609 31.376 29.762 0.010 0.000 1.739 1240 H HN 0.190 nan 8.280 nan 0.000 0.506 1241 S N 4.797 120.588 115.700 0.152 0.000 2.525 1241 S HA 0.101 4.570 4.470 -0.001 0.000 0.285 1241 S C -2.087 172.601 174.600 0.147 0.000 1.283 1241 S CA -0.709 57.564 58.200 0.122 0.000 1.072 1241 S CB 0.267 63.526 63.200 0.099 0.000 0.867 1241 S HN 0.368 nan 8.310 nan 0.000 0.492 1242 P HA 0.322 nan 4.420 nan 0.000 0.266 1242 P C -1.071 176.358 177.300 0.215 0.000 1.195 1242 P CA 0.005 63.239 63.100 0.224 0.000 0.768 1242 P CB 0.522 32.374 31.700 0.254 0.000 0.838 1243 A N 2.266 125.238 122.820 0.254 0.000 2.520 1243 A HA 0.649 4.968 4.320 -0.001 0.000 0.298 1243 A C -1.437 176.321 177.584 0.291 0.000 1.051 1243 A CA -0.503 51.669 52.037 0.227 0.000 0.690 1243 A CB 1.356 20.442 19.000 0.144 0.000 1.281 1243 A HN 0.272 nan 8.150 nan 0.000 0.402 1244 V N 1.252 121.326 119.914 0.266 0.000 2.531 1244 V HA 0.698 4.817 4.120 -0.001 0.000 0.301 1244 V C -0.367 175.788 176.094 0.102 0.000 1.034 1244 V CA -0.404 62.042 62.300 0.244 0.000 0.865 1244 V CB 1.974 33.982 31.823 0.309 0.000 0.995 1244 V HN 0.911 nan 8.190 nan 0.000 0.424 1245 T N 5.985 120.570 114.554 0.051 0.000 2.847 1245 T HA 0.634 4.983 4.350 -0.001 0.000 0.291 1245 T C -0.370 174.292 174.700 -0.064 0.000 0.998 1245 T CA -0.138 61.946 62.100 -0.027 0.000 0.967 1245 T CB 0.815 69.680 68.868 -0.006 0.000 0.954 1245 T HN 0.410 nan 8.240 nan 0.000 0.441 1246 I N 2.804 123.298 120.570 -0.126 0.000 2.336 1246 I HA 0.363 4.533 4.170 -0.001 0.000 0.292 1246 I C 0.289 176.279 176.117 -0.212 0.000 0.991 1246 I CA -0.584 60.583 61.300 -0.222 0.000 1.227 1246 I CB 1.541 39.347 38.000 -0.324 0.000 1.366 1246 I HN 0.443 nan 8.210 nan 0.000 0.466 1247 T N 6.383 120.790 114.554 -0.245 0.000 2.772 1247 T HA 0.499 4.848 4.350 -0.001 0.000 0.288 1247 T C -0.519 174.083 174.700 -0.164 0.000 0.994 1247 T CA -0.325 61.715 62.100 -0.100 0.000 0.951 1247 T CB 0.272 69.115 68.868 -0.042 0.000 0.933 1247 T HN 0.095 nan 8.240 nan 0.000 0.447 1248 F N 2.384 122.338 119.950 0.007 0.000 2.410 1248 F HA 0.590 5.116 4.527 -0.001 0.000 0.349 1248 F C 0.336 176.133 175.800 -0.006 0.000 1.117 1248 F CA -1.006 56.989 58.000 -0.007 0.000 1.104 1248 F CB 1.236 40.177 39.000 -0.098 0.000 1.122 1248 F HN 0.211 nan 8.300 nan 0.000 0.483 1249 V N 4.448 124.462 119.914 0.165 0.000 2.487 1249 V HA 0.413 4.532 4.120 -0.001 0.000 0.298 1249 V C -0.942 175.205 176.094 0.089 0.000 1.028 1249 V CA -0.939 61.423 62.300 0.103 0.000 0.860 1249 V CB 1.453 33.318 31.823 0.070 0.000 0.991 1249 V HN 0.983 nan 8.190 nan 0.000 0.427 1250 c N 10.784 129.423 118.600 0.065 0.000 2.442 1250 c HA 0.604 5.173 4.570 -0.001 0.000 0.362 1250 c C -1.737 172.364 174.090 0.019 0.000 1.242 1250 c CA -1.455 54.898 56.329 0.039 0.000 1.741 1250 c CB 0.117 42.642 42.510 0.025 0.000 2.378 1250 c HN 0.873 nan 8.230 nan 0.000 0.549 1251 P HA 0.131 nan 4.420 nan 0.000 0.274 1251 P C 0.567 177.867 177.300 0.001 0.000 1.231 1251 P CA 0.179 63.295 63.100 0.027 0.000 0.790 1251 P CB 1.031 32.761 31.700 0.049 0.000 0.951 1252 S N -0.228 115.472 115.700 0.001 0.000 2.453 1252 S HA -0.034 4.435 4.470 -0.001 0.000 0.231 1252 S C 0.537 175.143 174.600 0.011 0.000 1.005 1252 S CA 0.623 58.813 58.200 -0.015 0.000 0.949 1252 S CB -0.326 62.870 63.200 -0.006 0.000 0.774 1252 S HN 0.463 nan 8.310 nan 0.000 0.510 1253 E N 0.605 120.831 120.200 0.042 0.000 2.288 1253 E HA 0.514 4.863 4.350 -0.001 0.000 0.268 1253 E C -0.804 175.858 176.600 0.103 0.000 0.885 1253 E CA -0.847 55.597 56.400 0.074 0.000 0.767 1253 E CB 1.114 30.848 29.700 0.056 0.000 1.220 1253 E HN 0.054 nan 8.360 nan 0.000 0.427 1254 R N 2.102 122.684 120.500 0.137 0.000 2.537 1254 R HA 0.371 4.710 4.340 -0.001 0.000 0.280 1254 R C -0.260 176.104 176.300 0.106 0.000 1.058 1254 R CA -0.080 56.107 56.100 0.146 0.000 1.057 1254 R CB 0.156 30.567 30.300 0.184 0.000 0.973 1254 R HN 0.501 nan 8.270 nan 0.000 0.438 1255 R N 0.237 120.789 120.500 0.087 0.000 2.781 1255 R HA 0.371 4.711 4.340 -0.001 0.000 0.269 1255 R C -0.731 175.602 176.300 0.056 0.000 1.025 1255 R CA -0.990 55.152 56.100 0.071 0.000 0.914 1255 R CB 0.320 30.657 30.300 0.062 0.000 1.236 1255 R HN 0.229 nan 8.270 nan 0.000 0.465 1256 E N 0.614 120.847 120.200 0.055 0.000 2.390 1256 E HA 0.265 4.614 4.350 -0.001 0.000 0.261 1256 E C 0.390 177.025 176.600 0.057 0.000 1.076 1256 E CA 0.163 56.592 56.400 0.048 0.000 0.905 1256 E CB 0.450 30.181 29.700 0.051 0.000 0.984 1256 E HN 0.741 nan 8.360 nan 0.000 0.427 1257 G N 1.353 110.191 108.800 0.064 0.000 2.474 1257 G HA2 0.218 4.177 3.960 -0.001 0.000 0.233 1257 G HA3 0.218 4.177 3.960 -0.001 0.000 0.233 1257 G C -0.056 174.916 174.900 0.120 0.000 1.278 1257 G CA 0.077 45.247 45.100 0.117 0.000 0.861 1257 G HN 0.458 nan 8.290 nan 0.000 0.567 1258 T N -0.710 113.940 114.554 0.160 0.000 2.893 1258 T HA 0.575 4.924 4.350 -0.001 0.000 0.291 1258 T C -0.118 174.598 174.700 0.027 0.000 1.028 1258 T CA -0.890 61.263 62.100 0.087 0.000 0.995 1258 T CB 1.566 70.475 68.868 0.070 0.000 1.051 1258 T HN 0.250 nan 8.240 nan 0.000 0.470 1259 I N 3.618 124.129 120.570 -0.098 0.000 2.638 1259 I HA 0.316 4.485 4.170 -0.001 0.000 0.286 1259 I C -1.752 174.043 176.117 -0.537 0.000 1.088 1259 I CA -2.096 59.028 61.300 -0.294 0.000 1.397 1259 I CB 0.177 38.066 38.000 -0.185 0.000 1.414 1259 I HN 0.527 nan 8.210 nan 0.000 0.566 1260 P HA 0.122 nan 4.420 nan 0.000 0.271 1260 P C -1.434 175.610 177.300 -0.426 0.000 1.216 1260 P CA -0.462 62.098 63.100 -0.900 0.000 0.776 1260 P CB 0.313 31.274 31.700 -1.232 0.000 0.881 1261 K N 2.645 122.886 120.400 -0.265 0.000 2.207 1261 K HA 0.532 4.852 4.320 -0.001 0.000 0.255 1261 K C -0.424 176.103 176.600 -0.122 0.000 0.941 1261 K CA -1.128 55.058 56.287 -0.167 0.000 0.825 1261 K CB 1.592 34.023 32.500 -0.115 0.000 1.119 1261 K HN 0.326 nan 8.250 nan 0.000 0.430 1262 L N 3.295 124.462 121.223 -0.093 0.000 2.319 1262 L HA 0.115 4.455 4.340 -0.001 0.000 0.280 1262 L C 0.436 177.282 176.870 -0.040 0.000 1.099 1262 L CA 0.049 54.862 54.840 -0.046 0.000 0.828 1262 L CB 1.059 43.107 42.059 -0.019 0.000 1.150 1262 L HN 1.119 nan 8.230 nan 0.000 0.442 1263 T N 0.063 114.599 114.554 -0.030 0.000 3.040 1263 T HA 0.531 4.880 4.350 -0.001 0.000 0.266 1263 T C 0.068 174.743 174.700 -0.040 0.000 1.005 1263 T CA 0.193 62.271 62.100 -0.037 0.000 0.906 1263 T CB 0.483 69.329 68.868 -0.037 0.000 1.082 1263 T HN 0.648 nan 8.240 nan 0.000 0.531 1264 A N 2.034 124.830 122.820 -0.039 0.000 2.540 1264 A HA 0.545 4.865 4.320 -0.001 0.000 0.315 1264 A C -0.591 176.916 177.584 -0.128 0.000 1.037 1264 A CA -1.065 50.926 52.037 -0.077 0.000 0.940 1264 A CB 0.587 19.542 19.000 -0.076 0.000 1.262 1264 A HN 0.399 nan 8.150 nan 0.000 0.377 1265 K N 1.093 121.372 120.400 -0.201 0.000 3.205 1265 K HA 0.433 4.752 4.320 -0.001 0.000 0.202 1265 K C 0.047 176.383 176.600 -0.439 0.000 1.160 1265 K CA -0.013 56.011 56.287 -0.438 0.000 0.995 1265 K CB 1.033 33.361 32.500 -0.288 0.000 1.041 1265 K HN 0.478 nan 8.250 nan 0.000 0.507 1266 S N 2.542 118.036 115.700 -0.343 0.000 2.686 1266 S HA 0.032 4.501 4.470 -0.001 0.000 0.324 1266 S C -0.249 174.165 174.600 -0.310 0.000 1.172 1266 S CA -0.310 57.728 58.200 -0.270 0.000 1.127 1266 S CB -0.720 62.357 63.200 -0.205 0.000 1.338 1266 S HN 0.616 nan 8.310 nan 0.000 0.547 1267 N N 3.138 121.679 118.700 -0.265 0.000 2.556 1267 N HA -0.178 4.561 4.740 -0.001 0.000 0.288 1267 N C 0.553 175.959 175.510 -0.173 0.000 1.226 1267 N CA 0.910 53.859 53.050 -0.169 0.000 0.719 1267 N CB -1.901 36.491 38.487 -0.158 0.000 0.923 1267 N HN 0.904 nan 8.380 nan 0.000 0.544 1268 c N -0.600 117.882 118.600 -0.198 0.000 4.184 1268 c HA -0.241 4.328 4.570 -0.001 0.000 0.295 1268 c C 1.081 175.109 174.090 -0.102 0.000 1.477 1268 c CA 1.098 57.410 56.329 -0.028 0.000 2.037 1268 c CB -1.885 40.764 42.510 0.231 0.000 1.282 1268 c HN 0.700 nan 8.230 nan 0.000 0.783 1269 R N 0.305 120.564 120.500 -0.401 0.000 2.477 1269 R HA 0.588 4.927 4.340 -0.001 0.000 0.285 1269 R C -0.631 175.494 176.300 -0.292 0.000 1.415 1269 R CA -0.344 55.638 56.100 -0.197 0.000 1.446 1269 R CB -0.121 30.071 30.300 -0.181 0.000 1.110 1269 R HN 0.230 nan 8.270 nan 0.000 0.590 1270 F N 1.220 121.171 119.950 0.003 0.000 2.410 1270 F HA 0.384 4.910 4.527 -0.001 0.000 0.348 1270 F C 0.735 176.522 175.800 -0.022 0.000 1.106 1270 F CA -0.278 57.713 58.000 -0.015 0.000 1.163 1270 F CB 1.276 40.274 39.000 -0.005 0.000 1.129 1270 F HN 0.234 nan 8.300 nan 0.000 0.516 1271 E N 4.011 124.275 120.200 0.107 0.000 2.158 1271 E HA 0.599 4.948 4.350 -0.001 0.000 0.271 1271 E C -0.979 175.632 176.600 0.018 0.000 0.911 1271 E CA -0.552 55.870 56.400 0.036 0.000 0.767 1271 E CB 1.955 31.649 29.700 -0.010 0.000 1.120 1271 E HN 0.482 nan 8.360 nan 0.000 0.405 1272 I N 2.400 122.957 120.570 -0.023 0.000 2.533 1272 I HA 0.259 4.428 4.170 -0.001 0.000 0.290 1272 I C -0.429 175.619 176.117 -0.115 0.000 1.056 1272 I CA -0.653 60.604 61.300 -0.071 0.000 1.057 1272 I CB 2.150 40.098 38.000 -0.087 0.000 1.240 1272 I HN 0.453 nan 8.210 nan 0.000 0.423 1273 E N 5.863 126.004 120.200 -0.099 0.000 2.166 1273 E HA 0.270 4.620 4.350 -0.001 0.000 0.275 1273 E C -1.883 174.693 176.600 -0.041 0.000 0.941 1273 E CA -0.660 55.693 56.400 -0.078 0.000 0.784 1273 E CB 1.801 31.477 29.700 -0.040 0.000 1.115 1273 E HN 0.527 nan 8.360 nan 0.000 0.399 1274 W N 6.423 127.559 121.300 -0.274 0.000 2.543 1274 W HA 0.319 4.978 4.660 -0.001 0.000 0.318 1274 W C -1.712 174.766 176.519 -0.068 0.000 1.002 1274 W CA -1.007 56.208 57.345 -0.218 0.000 1.302 1274 W CB 1.044 30.261 29.460 -0.404 0.000 1.299 1274 W HN 0.241 nan 8.180 nan 0.000 0.424 1275 V N 6.051 126.200 119.914 0.392 0.000 2.405 1275 V HA 0.336 4.455 4.120 -0.001 0.000 0.264 1275 V C 0.411 176.688 176.094 0.306 0.000 1.048 1275 V CA 0.360 62.814 62.300 0.256 0.000 0.966 1275 V CB 0.466 32.384 31.823 0.158 0.000 1.015 1275 V HN 0.465 nan 8.190 nan 0.000 0.477 1276 T N 2.522 117.173 114.554 0.162 0.000 2.993 1276 T HA 0.320 4.669 4.350 -0.001 0.000 0.312 1276 T C 0.578 175.299 174.700 0.035 0.000 1.115 1276 T CA -0.563 61.590 62.100 0.090 0.000 1.027 1276 T CB 1.792 70.602 68.868 -0.097 0.000 1.116 1276 T HN 0.711 nan 8.240 nan 0.000 0.464 1277 E N 2.344 122.526 120.200 -0.030 0.000 2.409 1277 E HA -0.041 4.309 4.350 -0.001 0.000 0.198 1277 E C 0.436 176.949 176.600 -0.146 0.000 1.024 1277 E CA 0.860 57.215 56.400 -0.076 0.000 0.861 1277 E CB -0.064 29.571 29.700 -0.109 0.000 0.788 1277 E HN 0.737 nan 8.360 nan 0.000 0.521 1278 Y N -0.148 120.121 120.300 -0.052 0.000 2.574 1278 Y HA -0.106 4.443 4.550 -0.001 0.000 0.294 1278 Y C 2.127 177.977 175.900 -0.084 0.000 1.142 1278 Y CA 0.557 58.604 58.100 -0.088 0.000 1.314 1278 Y CB 0.146 38.510 38.460 -0.161 0.000 0.991 1278 Y HN 0.075 nan 8.280 nan 0.000 0.555 1279 A N -1.409 121.450 122.820 0.065 0.000 2.251 1279 A HA 0.072 4.391 4.320 -0.001 0.000 0.209 1279 A C 0.938 178.630 177.584 0.180 0.000 1.187 1279 A CA -0.086 52.003 52.037 0.087 0.000 0.823 1279 A CB -0.848 18.210 19.000 0.098 0.000 0.846 1279 A HN 0.321 nan 8.150 nan 0.000 0.486 1280 c N 0.059 118.698 118.600 0.066 0.000 2.480 1280 c HA 0.495 5.064 4.570 -0.001 0.000 0.344 1280 c C 0.773 174.734 174.090 -0.216 0.000 1.380 1280 c CA -0.542 55.762 56.329 -0.041 0.000 2.386 1280 c CB 0.066 42.492 42.510 -0.140 0.000 2.210 1280 c HN 0.801 nan 8.230 nan 0.000 0.640 1281 H N -0.228 118.642 119.070 -0.335 0.000 2.732 1281 H HA 0.274 4.830 4.556 -0.001 0.000 0.351 1281 H C 1.116 176.361 175.328 -0.140 0.000 1.090 1281 H CA -0.241 55.501 56.048 -0.510 0.000 1.431 1281 H CB 0.295 29.817 29.762 -0.400 0.000 1.447 1281 H HN 0.580 nan 8.280 nan 0.000 0.582 1282 R N 1.352 121.867 120.500 0.024 0.000 2.105 1282 R HA -0.181 4.159 4.340 -0.001 0.000 0.239 1282 R C 0.934 177.334 176.300 0.167 0.000 1.135 1282 R CA 1.829 57.975 56.100 0.078 0.000 0.967 1282 R CB -0.217 30.105 30.300 0.037 0.000 0.861 1282 R HN 0.969 nan 8.270 nan 0.000 0.442 1283 D N -0.821 119.732 120.400 0.255 0.000 2.350 1283 D HA -0.217 4.422 4.640 -0.001 0.000 0.216 1283 D C 1.459 177.925 176.300 0.277 0.000 0.968 1283 D CA 0.625 54.769 54.000 0.240 0.000 0.894 1283 D CB -0.413 40.484 40.800 0.161 0.000 0.909 1283 D HN 0.404 nan 8.370 nan 0.000 0.520 1284 Y N 1.232 121.615 120.300 0.137 0.000 2.519 1284 Y HA 0.157 4.706 4.550 -0.001 0.000 0.287 1284 Y C 1.799 177.801 175.900 0.170 0.000 1.128 1284 Y CA 0.590 58.682 58.100 -0.012 0.000 1.282 1284 Y CB 0.049 38.277 38.460 -0.387 0.000 1.027 1284 Y HN -0.104 nan 8.280 nan 0.000 0.551 1285 L N -0.826 120.468 121.223 0.119 0.000 2.470 1285 L HA 0.261 4.600 4.340 -0.001 0.000 0.219 1285 L C 0.072 176.958 176.870 0.027 0.000 1.071 1285 L CA 0.215 55.052 54.840 -0.004 0.000 0.850 1285 L CB 0.154 42.177 42.059 -0.059 0.000 1.040 1285 L HN -0.076 nan 8.230 nan 0.000 0.475 1286 E N -0.556 119.715 120.200 0.119 0.000 2.336 1286 E HA 0.535 4.885 4.350 -0.001 0.000 0.267 1286 E C -1.084 175.575 176.600 0.098 0.000 0.906 1286 E CA -0.391 56.038 56.400 0.048 0.000 0.781 1286 E CB 2.765 32.504 29.700 0.065 0.000 1.261 1286 E HN -0.141 nan 8.360 nan 0.000 0.436 1287 S N 0.180 115.871 115.700 -0.015 0.000 2.549 1287 S HA 0.338 4.807 4.470 -0.001 0.000 0.280 1287 S C -0.232 174.372 174.600 0.007 0.000 1.109 1287 S CA -0.691 57.515 58.200 0.011 0.000 0.905 1287 S CB 0.979 64.130 63.200 -0.081 0.000 1.081 1287 S HN 0.406 nan 8.310 nan 0.000 0.477 1288 R N 1.674 122.191 120.500 0.029 0.000 2.356 1288 R HA 0.233 4.572 4.340 -0.001 0.000 0.234 1288 R C 0.506 176.800 176.300 -0.008 0.000 0.929 1288 R CA 0.076 56.191 56.100 0.025 0.000 1.084 1288 R CB -0.671 29.656 30.300 0.046 0.000 1.105 1288 R HN 0.688 nan 8.270 nan 0.000 0.515 1289 S N -2.422 113.262 115.700 -0.027 0.000 2.704 1289 S HA 0.174 4.643 4.470 -0.001 0.000 0.296 1289 S C 0.643 175.195 174.600 -0.080 0.000 1.138 1289 S CA -0.764 57.412 58.200 -0.041 0.000 0.875 1289 S CB 1.585 64.770 63.200 -0.025 0.000 1.151 1289 S HN 0.138 nan 8.310 nan 0.000 0.500 1290 c N 2.648 121.198 118.600 -0.083 0.000 2.507 1290 c HA 0.484 5.053 4.570 -0.001 0.000 0.301 1290 c C 1.077 175.075 174.090 -0.152 0.000 1.351 1290 c CA 0.304 56.558 56.329 -0.125 0.000 1.650 1290 c CB -2.767 39.676 42.510 -0.110 0.000 1.676 1290 c HN 0.813 nan 8.230 nan 0.000 0.594 1291 S N -0.397 115.225 115.700 -0.130 0.000 2.564 1291 S HA 0.825 5.294 4.470 -0.001 0.000 0.274 1291 S C -1.265 173.241 174.600 -0.156 0.000 1.124 1291 S CA -0.680 57.438 58.200 -0.137 0.000 0.869 1291 S CB 1.358 64.504 63.200 -0.089 0.000 1.105 1291 S HN 0.233 nan 8.310 nan 0.000 0.472 1292 L N 2.089 123.200 121.223 -0.188 0.000 2.370 1292 L HA 0.776 5.115 4.340 -0.001 0.000 0.266 1292 L C -0.005 176.864 176.870 -0.001 0.000 1.002 1292 L CA -0.791 53.902 54.840 -0.246 0.000 0.818 1292 L CB 2.476 44.235 42.059 -0.500 0.000 1.325 1292 L HN 0.987 nan 8.230 nan 0.000 0.418 1293 S N -0.389 115.465 115.700 0.258 0.000 2.621 1293 S HA 0.399 4.868 4.470 -0.001 0.000 0.302 1293 S C 0.596 175.249 174.600 0.089 0.000 1.093 1293 S CA -0.603 57.665 58.200 0.115 0.000 1.017 1293 S CB 1.887 65.137 63.200 0.082 0.000 1.077 1293 S HN 0.528 nan 8.310 nan 0.000 0.517 1294 S N 1.279 116.994 115.700 0.025 0.000 2.370 1294 S HA -0.083 4.386 4.470 -0.001 0.000 0.226 1294 S C 2.240 176.855 174.600 0.026 0.000 1.033 1294 S CA 1.389 59.598 58.200 0.014 0.000 1.011 1294 S CB -1.013 62.188 63.200 0.003 0.000 0.852 1294 S HN 0.950 nan 8.310 nan 0.000 0.457 1295 A N 0.876 123.706 122.820 0.016 0.000 1.902 1295 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 1295 A C 2.097 179.674 177.584 -0.012 0.000 1.181 1295 A CA 1.820 53.862 52.037 0.009 0.000 0.623 1295 A CB -0.547 18.454 19.000 0.002 0.000 0.818 1295 A HN 0.570 nan 8.150 nan 0.000 0.443 1296 Q N -2.164 117.577 119.800 -0.099 0.000 2.259 1296 Q HA -0.053 4.287 4.340 -0.001 0.000 0.201 1296 Q C 1.298 177.067 176.000 -0.384 0.000 0.938 1296 Q CA 0.861 56.489 55.803 -0.290 0.000 0.872 1296 Q CB 0.110 28.511 28.738 -0.563 0.000 0.971 1296 Q HN 0.846 nan 8.270 nan 0.000 0.494 1297 H N -0.905 118.151 119.070 -0.023 0.000 2.755 1297 H HA 0.172 4.727 4.556 -0.001 0.000 0.273 1297 H C -0.262 174.881 175.328 -0.309 0.000 1.055 1297 H CA 0.357 56.232 56.048 -0.288 0.000 1.191 1297 H CB 1.050 30.654 29.762 -0.263 0.000 1.536 1297 H HN 0.272 nan 8.280 nan 0.000 0.529 1298 D N 0.779 121.197 120.400 0.030 0.000 3.041 1298 D HA -0.147 4.492 4.640 -0.001 0.000 0.220 1298 D C -0.213 176.068 176.300 -0.032 0.000 1.157 1298 D CA 0.662 54.695 54.000 0.055 0.000 0.876 1298 D CB -1.268 39.636 40.800 0.173 0.000 1.107 1298 D HN 0.277 nan 8.370 nan 0.000 0.422 1299 V N -0.712 119.158 119.914 -0.073 0.000 2.817 1299 V HA 0.693 4.812 4.120 -0.001 0.000 0.303 1299 V C -1.414 174.594 176.094 -0.143 0.000 1.151 1299 V CA -0.125 62.066 62.300 -0.180 0.000 0.929 1299 V CB 2.073 33.641 31.823 -0.425 0.000 1.030 1299 V HN 0.197 nan 8.190 nan 0.000 0.427 1300 A N 6.238 128.974 122.820 -0.140 0.000 2.249 1300 A HA 0.845 5.165 4.320 -0.001 0.000 0.314 1300 A C -0.908 176.588 177.584 -0.147 0.000 1.290 1300 A CA -0.366 51.608 52.037 -0.105 0.000 0.893 1300 A CB 0.969 19.928 19.000 -0.069 0.000 1.165 1300 A HN 1.183 nan 8.150 nan 0.000 0.530 1301 V N 2.216 122.037 119.914 -0.156 0.000 2.841 1301 V HA 0.602 4.722 4.120 -0.001 0.000 0.310 1301 V C -1.258 174.748 176.094 -0.148 0.000 1.090 1301 V CA -0.570 61.623 62.300 -0.179 0.000 0.930 1301 V CB 2.378 34.048 31.823 -0.254 0.000 1.014 1301 V HN 0.931 nan 8.190 nan 0.000 0.425 1302 D N 2.501 122.820 120.400 -0.135 0.000 2.365 1302 D HA 0.387 5.027 4.640 -0.001 0.000 0.235 1302 D C 0.048 176.236 176.300 -0.186 0.000 1.368 1302 D CA -0.326 53.596 54.000 -0.130 0.000 1.001 1302 D CB 1.360 42.118 40.800 -0.071 0.000 1.364 1302 D HN 0.374 nan 8.370 nan 0.000 0.577 1303 L N 2.706 123.765 121.223 -0.274 0.000 2.592 1303 L HA 0.125 4.465 4.340 -0.001 0.000 0.227 1303 L C 2.036 178.700 176.870 -0.344 0.000 1.127 1303 L CA -0.017 54.584 54.840 -0.398 0.000 0.884 1303 L CB 0.052 41.793 42.059 -0.529 0.000 1.065 1303 L HN 0.401 nan 8.230 nan 0.000 0.457 1304 Q N 2.162 121.820 119.800 -0.237 0.000 2.096 1304 Q HA -0.166 4.174 4.340 -0.001 0.000 0.208 1304 Q C -0.810 175.069 176.000 -0.203 0.000 0.993 1304 Q CA 2.057 57.761 55.803 -0.166 0.000 0.862 1304 Q CB -1.199 27.473 28.738 -0.111 0.000 0.915 1304 Q HN 0.244 nan 8.270 nan 0.000 0.416 1305 P HA -0.129 nan 4.420 nan 0.000 0.249 1305 P C 0.225 177.320 177.300 -0.341 0.000 1.227 1305 P CA 0.987 63.865 63.100 -0.369 0.000 0.753 1305 P CB -0.119 31.238 31.700 -0.571 0.000 0.966 1306 L N -0.654 120.421 121.223 -0.248 0.000 2.609 1306 L HA 0.027 4.366 4.340 -0.001 0.000 0.230 1306 L C 2.434 179.424 176.870 0.200 0.000 1.087 1306 L CA 0.664 55.497 54.840 -0.012 0.000 0.874 1306 L CB -0.438 41.537 42.059 -0.140 0.000 1.114 1306 L HN 0.002 nan 8.230 nan 0.000 0.488 1307 S N 0.852 116.608 115.700 0.094 0.000 2.469 1307 S HA -0.148 4.321 4.470 -0.001 0.000 0.238 1307 S C 1.004 175.685 174.600 0.136 0.000 0.998 1307 S CA 0.302 58.586 58.200 0.140 0.000 0.957 1307 S CB -0.467 62.774 63.200 0.067 0.000 0.764 1307 S HN 0.480 nan 8.310 nan 0.000 0.514 1308 R N 1.142 121.701 120.500 0.098 0.000 2.275 1308 R HA 0.664 5.003 4.340 -0.001 0.000 0.326 1308 R C -0.817 175.508 176.300 0.042 0.000 0.973 1308 R CA -0.740 55.391 56.100 0.052 0.000 0.854 1308 R CB 1.040 31.355 30.300 0.025 0.000 1.156 1308 R HN 0.014 nan 8.270 nan 0.000 0.487 1312 S N 0.768 116.436 115.700 -0.053 0.000 3.064 1312 S HA 0.389 4.859 4.470 -0.001 0.000 0.170 1312 S C 0.940 175.504 174.600 -0.059 0.000 0.713 1312 S CA 1.257 59.422 58.200 -0.059 0.000 0.891 1312 S CB -0.191 62.959 63.200 -0.084 0.000 0.772 1312 S HN 0.532 nan 8.310 nan 0.000 0.701 1313 D N 0.596 120.941 120.400 -0.091 0.000 2.348 1313 D HA 0.197 4.836 4.640 -0.001 0.000 0.283 1313 D C 0.090 176.330 176.300 -0.100 0.000 1.096 1313 D CA 0.450 54.406 54.000 -0.073 0.000 0.863 1313 D CB 0.196 40.957 40.800 -0.065 0.000 1.465 1313 D HN 0.504 nan 8.370 nan 0.000 0.515 1314 S N 0.417 115.974 115.700 -0.240 0.000 2.746 1314 S HA 0.381 4.851 4.470 -0.001 0.000 0.273 1314 S C 0.120 174.428 174.600 -0.486 0.000 1.172 1314 S CA -0.806 57.103 58.200 -0.485 0.000 1.116 1314 S CB 0.623 63.170 63.200 -1.089 0.000 1.057 1314 S HN 0.171 nan 8.310 nan 0.000 0.483 1315 L N 3.272 124.424 121.223 -0.118 0.000 2.798 1315 L HA 0.264 4.604 4.340 -0.001 0.000 0.254 1315 L C -0.554 176.348 176.870 0.053 0.000 1.176 1315 L CA -0.001 54.812 54.840 -0.045 0.000 0.991 1315 L CB -0.988 41.106 42.059 0.058 0.000 1.225 1315 L HN 0.753 nan 8.230 nan 0.000 0.420 1316 F N -3.846 116.050 119.950 -0.091 0.000 2.578 1316 F HA 0.582 5.108 4.527 -0.001 0.000 0.311 1316 F C -0.657 175.100 175.800 -0.072 0.000 1.094 1316 F CA -1.704 56.298 58.000 0.002 0.000 0.923 1316 F CB 0.493 39.535 39.000 0.069 0.000 1.230 1316 F HN -0.251 nan 8.300 nan 0.000 0.450 1317 Y N 0.418 120.805 120.300 0.145 0.000 2.354 1317 Y HA 0.623 5.173 4.550 -0.001 0.000 0.322 1317 Y C 0.719 176.686 175.900 0.112 0.000 1.253 1317 Y CA -0.489 57.612 58.100 0.002 0.000 1.272 1317 Y CB 1.791 40.166 38.460 -0.142 0.000 1.255 1317 Y HN 0.812 nan 8.280 nan 0.000 0.500 1318 T N -1.667 112.980 114.554 0.154 0.000 2.886 1318 T HA 0.618 4.967 4.350 -0.001 0.000 0.292 1318 T C -0.826 173.875 174.700 0.001 0.000 1.012 1318 T CA -0.887 61.229 62.100 0.027 0.000 0.982 1318 T CB 1.557 70.431 68.868 0.009 0.000 1.018 1318 T HN 0.494 nan 8.240 nan 0.000 0.451 1319 S N 1.972 117.673 115.700 0.002 0.000 2.756 1319 S HA 0.396 4.865 4.470 -0.001 0.000 0.303 1319 S C -0.716 173.960 174.600 0.127 0.000 1.135 1319 S CA -0.658 57.617 58.200 0.125 0.000 1.066 1319 S CB 0.593 63.980 63.200 0.311 0.000 1.008 1319 S HN 0.699 nan 8.310 nan 0.000 0.482 1320 E N 2.472 122.722 120.200 0.083 0.000 2.338 1320 E HA 0.562 4.912 4.350 -0.001 0.000 0.272 1320 E C 0.158 176.843 176.600 0.140 0.000 1.029 1320 E CA -0.064 56.377 56.400 0.067 0.000 0.872 1320 E CB 1.528 31.254 29.700 0.044 0.000 1.015 1320 E HN 0.647 nan 8.360 nan 0.000 0.417 1321 A N 2.602 125.491 122.820 0.115 0.000 2.389 1321 A HA 0.366 4.686 4.320 -0.001 0.000 0.293 1321 A C 0.584 178.252 177.584 0.139 0.000 1.186 1321 A CA -0.569 51.579 52.037 0.184 0.000 0.828 1321 A CB 0.806 19.888 19.000 0.136 0.000 1.369 1321 A HN 0.453 nan 8.150 nan 0.000 0.446 1322 D N -0.177 120.328 120.400 0.176 0.000 2.097 1322 D HA -0.091 4.549 4.640 -0.001 0.000 0.195 1322 D C 1.016 177.334 176.300 0.031 0.000 0.989 1322 D CA 1.766 55.828 54.000 0.104 0.000 0.827 1322 D CB 0.212 41.084 40.800 0.120 0.000 0.966 1322 D HN 0.694 nan 8.370 nan 0.000 0.456 1323 E N -1.599 118.614 120.200 0.022 0.000 2.526 1323 E HA 0.097 4.446 4.350 -0.001 0.000 0.208 1323 E C -0.380 175.881 176.600 -0.565 0.000 0.997 1323 E CA -0.103 56.143 56.400 -0.257 0.000 0.961 1323 E CB 0.932 30.415 29.700 -0.362 0.000 1.030 1323 E HN 0.242 nan 8.360 nan 0.000 0.483 1324 Y N -0.961 119.261 120.300 -0.130 0.000 2.677 1324 Y HA 0.388 4.938 4.550 -0.001 0.000 0.334 1324 Y C -0.081 175.614 175.900 -0.342 0.000 1.154 1324 Y CA -1.048 56.878 58.100 -0.291 0.000 1.070 1324 Y CB 1.861 40.005 38.460 -0.525 0.000 1.294 1324 Y HN -0.368 nan 8.280 nan 0.000 0.475 1325 T N 0.962 115.351 114.554 -0.276 0.000 2.841 1325 T HA 0.492 4.841 4.350 -0.001 0.000 0.285 1325 T C -1.644 172.696 174.700 -0.599 0.000 0.991 1325 T CA -0.769 61.124 62.100 -0.346 0.000 0.966 1325 T CB 0.310 69.004 68.868 -0.290 0.000 0.962 1325 T HN 0.282 nan 8.240 nan 0.000 0.438 1326 Y N 1.638 121.737 120.300 -0.335 0.000 2.342 1326 Y HA 0.544 5.093 4.550 -0.001 0.000 0.334 1326 Y C -0.497 175.191 175.900 -0.352 0.000 1.067 1326 Y CA -1.026 56.940 58.100 -0.223 0.000 1.128 1326 Y CB 1.006 39.498 38.460 0.053 0.000 1.200 1326 Y HN 0.572 nan 8.280 nan 0.000 0.464 1327 Y N 3.522 123.899 120.300 0.128 0.000 2.328 1327 Y HA 0.577 5.126 4.550 -0.001 0.000 0.336 1327 Y C -1.065 174.886 175.900 0.085 0.000 0.960 1327 Y CA -0.955 57.219 58.100 0.124 0.000 1.134 1327 Y CB 1.027 39.490 38.460 0.006 0.000 1.166 1327 Y HN 0.359 nan 8.280 nan 0.000 0.464 1328 L N 3.332 124.709 121.223 0.256 0.000 2.346 1328 L HA 0.704 5.043 4.340 -0.001 0.000 0.276 1328 L C -0.433 176.618 176.870 0.302 0.000 1.006 1328 L CA -0.537 54.395 54.840 0.154 0.000 0.817 1328 L CB 2.105 44.160 42.059 -0.007 0.000 1.272 1328 L HN 0.596 nan 8.230 nan 0.000 0.421 1329 S N 2.993 118.804 115.700 0.184 0.000 2.789 1329 S HA 0.782 5.251 4.470 -0.001 0.000 0.286 1329 S C -0.522 174.152 174.600 0.123 0.000 1.153 1329 S CA -0.722 57.614 58.200 0.225 0.000 1.084 1329 S CB 0.601 63.896 63.200 0.158 0.000 1.036 1329 S HN 0.572 nan 8.310 nan 0.000 0.484 1330 I N -1.653 119.053 120.570 0.226 0.000 2.822 1330 I HA 0.740 4.909 4.170 -0.001 0.000 0.312 1330 I C -0.125 176.105 176.117 0.188 0.000 1.011 1330 I CA -0.969 60.469 61.300 0.230 0.000 1.105 1330 I CB 1.294 39.504 38.000 0.349 0.000 1.291 1330 I HN 0.743 nan 8.210 nan 0.000 0.474 1331 c N 4.013 122.738 118.600 0.209 0.000 4.209 1331 c HA -0.021 4.548 4.570 -0.001 0.000 0.305 1331 c C 1.447 175.580 174.090 0.071 0.000 1.339 1331 c CA 0.594 56.985 56.329 0.103 0.000 2.062 1331 c CB -2.908 39.617 42.510 0.024 0.000 1.307 1331 c HN 1.782 nan 8.230 nan 0.000 0.706 1332 G N -0.804 108.041 108.800 0.074 0.000 2.189 1332 G HA2 0.021 3.980 3.960 -0.001 0.000 0.267 1332 G HA3 0.021 3.980 3.960 -0.001 0.000 0.267 1332 G C 0.508 175.435 174.900 0.045 0.000 0.975 1332 G CA 0.566 45.691 45.100 0.042 0.000 0.644 1332 G HN 2.150 nan 8.290 nan 0.000 0.537 1333 G N 0.007 108.852 108.800 0.075 0.000 2.559 1333 G HA2 0.456 4.415 3.960 -0.001 0.000 0.235 1333 G HA3 0.456 4.415 3.960 -0.001 0.000 0.235 1333 G C 0.530 175.475 174.900 0.076 0.000 1.266 1333 G CA 1.046 46.204 45.100 0.096 0.000 0.847 1333 G HN 1.244 nan 8.290 nan 0.000 0.583 1334 S N 0.169 115.918 115.700 0.082 0.000 2.564 1334 S HA 0.226 4.696 4.470 -0.001 0.000 0.278 1334 S C 0.411 175.062 174.600 0.084 0.000 1.333 1334 S CA -0.448 57.790 58.200 0.063 0.000 1.048 1334 S CB 1.006 64.246 63.200 0.066 0.000 0.900 1334 S HN 0.607 nan 8.310 nan 0.000 0.505 1335 Q N 1.374 121.172 119.800 -0.003 0.000 2.171 1335 Q HA 0.636 4.975 4.340 -0.001 0.000 0.217 1335 Q C -0.138 175.690 176.000 -0.287 0.000 0.995 1335 Q CA -0.508 55.240 55.803 -0.092 0.000 0.979 1335 Q CB 1.418 30.077 28.738 -0.132 0.000 1.152 1335 Q HN 0.855 nan 8.270 nan 0.000 0.525 1336 A N 1.073 123.494 122.820 -0.665 0.000 2.293 1336 A HA 0.443 4.762 4.320 -0.001 0.000 0.302 1336 A C -1.837 175.378 177.584 -0.614 0.000 1.119 1336 A CA -1.280 50.065 52.037 -1.153 0.000 0.823 1336 A CB 0.091 17.923 19.000 -1.946 0.000 1.097 1336 A HN 0.518 nan 8.150 nan 0.000 0.491 1337 P HA -0.172 nan 4.420 nan 0.000 0.217 1337 P C 1.255 178.385 177.300 -0.283 0.000 1.148 1337 P CA 0.859 63.787 63.100 -0.286 0.000 0.828 1337 P CB 0.076 31.655 31.700 -0.202 0.000 0.783 1338 I N -1.461 118.877 120.570 -0.385 0.000 2.756 1338 I HA -0.147 4.023 4.170 -0.001 0.000 0.262 1338 I C 0.759 176.718 176.117 -0.263 0.000 1.225 1338 I CA 1.330 62.440 61.300 -0.317 0.000 1.472 1338 I CB -0.358 37.399 38.000 -0.405 0.000 1.094 1338 I HN -0.049 nan 8.210 nan 0.000 0.454 1339 c N 0.482 118.906 118.600 -0.294 0.000 2.976 1339 c HA 0.367 4.936 4.570 -0.001 0.000 0.274 1339 c C 1.119 175.104 174.090 -0.175 0.000 1.487 1339 c CA -0.599 55.606 56.329 -0.207 0.000 1.789 1339 c CB -1.908 40.479 42.510 -0.206 0.000 2.771 1339 c HN 0.310 nan 8.230 nan 0.000 0.551 1340 N N 2.769 121.364 118.700 -0.175 0.000 2.715 1340 N HA 0.002 4.741 4.740 -0.001 0.000 0.254 1340 N C 1.408 176.859 175.510 -0.100 0.000 1.306 1340 N CA 0.386 53.355 53.050 -0.136 0.000 0.956 1340 N CB 0.089 38.497 38.487 -0.131 0.000 1.296 1340 N HN 0.676 nan 8.380 nan 0.000 0.512 1341 K N -2.275 118.069 120.400 -0.093 0.000 2.464 1341 K HA 0.117 4.437 4.320 -0.001 0.000 0.181 1341 K C 0.393 176.954 176.600 -0.066 0.000 1.786 1341 K CA 0.009 56.253 56.287 -0.072 0.000 1.021 1341 K CB 0.038 32.498 32.500 -0.066 0.000 1.603 1341 K HN -0.126 nan 8.250 nan 0.000 0.570 1342 K N 1.503 121.858 120.400 -0.075 0.000 2.348 1342 K HA 0.056 4.376 4.320 -0.001 0.000 0.194 1342 K C -0.519 176.041 176.600 -0.068 0.000 1.052 1342 K CA 0.473 56.720 56.287 -0.066 0.000 1.004 1342 K CB -0.039 32.420 32.500 -0.068 0.000 0.873 1342 K HN 0.258 nan 8.250 nan 0.000 0.523 1343 D N 0.694 121.048 120.400 -0.077 0.000 3.437 1343 D HA -0.170 4.469 4.640 -0.001 0.000 0.243 1343 D C -1.341 174.905 176.300 -0.090 0.000 1.104 1343 D CA 0.739 54.693 54.000 -0.078 0.000 1.009 1343 D CB -0.844 39.917 40.800 -0.065 0.000 0.937 1343 D HN 0.262 nan 8.370 nan 0.000 0.417 1344 A N 1.426 124.182 122.820 -0.107 0.000 2.393 1344 A HA 0.832 5.152 4.320 -0.001 0.000 0.306 1344 A C 0.923 178.400 177.584 -0.179 0.000 1.050 1344 A CA 0.122 52.082 52.037 -0.128 0.000 0.724 1344 A CB 1.666 20.606 19.000 -0.100 0.000 1.248 1344 A HN 0.661 nan 8.150 nan 0.000 0.424 1345 A N 1.537 124.177 122.820 -0.300 0.000 1.898 1345 A HA 0.420 4.739 4.320 -0.001 0.000 0.214 1345 A C 0.619 177.993 177.584 -0.350 0.000 1.183 1345 A CA 1.461 53.187 52.037 -0.519 0.000 0.622 1345 A CB -0.091 18.108 19.000 -1.334 0.000 0.824 1345 A HN 1.122 nan 8.150 nan 0.000 0.444 1346 V N -0.742 119.028 119.914 -0.240 0.000 2.531 1346 V HA 0.401 4.520 4.120 -0.001 0.000 0.301 1346 V C -0.943 175.136 176.094 -0.025 0.000 1.034 1346 V CA -0.842 61.403 62.300 -0.092 0.000 0.865 1346 V CB 1.014 32.811 31.823 -0.043 0.000 0.995 1346 V HN 0.356 nan 8.190 nan 0.000 0.424 1347 c N 5.359 123.979 118.600 0.033 0.000 2.369 1347 c HA 0.572 5.142 4.570 -0.001 0.000 0.322 1347 c C -0.213 173.873 174.090 -0.006 0.000 1.258 1347 c CA -0.372 55.963 56.329 0.011 0.000 1.487 1347 c CB 1.038 43.553 42.510 0.008 0.000 2.165 1347 c HN 0.992 nan 8.230 nan 0.000 0.483 1348 Q N 4.371 124.077 119.800 -0.156 0.000 2.314 1348 Q HA 0.630 4.970 4.340 -0.001 0.000 0.259 1348 Q C -1.412 174.467 176.000 -0.203 0.000 0.951 1348 Q CA -0.263 55.285 55.803 -0.426 0.000 0.909 1348 Q CB 1.416 29.772 28.738 -0.636 0.000 1.236 1348 Q HN 0.708 nan 8.270 nan 0.000 0.444 1349 V N 4.840 124.668 119.914 -0.144 0.000 2.409 1349 V HA 0.300 4.419 4.120 -0.001 0.000 0.291 1349 V C -0.182 175.947 176.094 0.057 0.000 1.020 1349 V CA -0.844 61.468 62.300 0.020 0.000 0.848 1349 V CB 1.624 33.524 31.823 0.128 0.000 0.990 1349 V HN 0.719 nan 8.190 nan 0.000 0.430 1350 K N 3.668 124.111 120.400 0.072 0.000 2.350 1350 K HA 0.216 4.536 4.320 -0.001 0.000 0.279 1350 K C 0.958 177.465 176.600 -0.155 0.000 1.027 1350 K CA -0.114 56.088 56.287 -0.142 0.000 0.969 1350 K CB 0.687 33.123 32.500 -0.106 0.000 0.954 1350 K HN 0.595 nan 8.250 nan 0.000 0.474 1351 K N 2.456 122.713 120.400 -0.238 0.000 2.007 1351 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 1351 K C 1.890 178.424 176.600 -0.110 0.000 1.047 1351 K CA 1.259 57.463 56.287 -0.139 0.000 0.937 1351 K CB -0.107 32.309 32.500 -0.140 0.000 0.718 1351 K HN 0.706 nan 8.250 nan 0.000 0.438 1352 A N 1.119 123.856 122.820 -0.138 0.000 2.024 1352 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 1352 A C 0.781 178.323 177.584 -0.070 0.000 1.164 1352 A CA 1.435 53.416 52.037 -0.094 0.000 0.643 1352 A CB 0.003 18.942 19.000 -0.101 0.000 0.806 1352 A HN 0.252 nan 8.150 nan 0.000 0.451 1353 D N -1.508 118.848 120.400 -0.074 0.000 2.472 1353 D HA 0.156 4.796 4.640 -0.001 0.000 0.248 1353 D C 0.306 176.582 176.300 -0.039 0.000 1.271 1353 D CA 0.111 54.083 54.000 -0.047 0.000 0.888 1353 D CB 0.687 41.464 40.800 -0.038 0.000 1.337 1353 D HN 0.025 nan 8.370 nan 0.000 0.526 1354 S N 1.153 116.833 115.700 -0.034 0.000 2.609 1354 S HA -0.142 4.328 4.470 -0.001 0.000 0.250 1354 S C 1.741 176.325 174.600 -0.026 0.000 0.974 1354 S CA 1.893 60.079 58.200 -0.024 0.000 0.962 1354 S CB -0.200 62.989 63.200 -0.020 0.000 0.756 1354 S HN 0.614 nan 8.310 nan 0.000 0.539 1355 T N -2.042 112.497 114.554 -0.025 0.000 3.051 1355 T HA 0.171 4.520 4.350 -0.001 0.000 0.255 1355 T C 0.620 175.309 174.700 -0.017 0.000 1.085 1355 T CA -0.043 62.042 62.100 -0.025 0.000 1.109 1355 T CB -0.080 68.775 68.868 -0.022 0.000 0.921 1355 T HN 0.184 nan 8.240 nan 0.000 0.488 1356 Q N 2.009 121.805 119.800 -0.006 0.000 2.369 1356 Q HA 0.415 4.754 4.340 -0.001 0.000 0.247 1356 Q C -1.099 174.909 176.000 0.013 0.000 1.083 1356 Q CA -0.050 55.760 55.803 0.012 0.000 0.905 1356 Q CB 1.252 30.011 28.738 0.034 0.000 1.305 1356 Q HN 0.277 nan 8.270 nan 0.000 0.465 1357 V N 4.567 124.478 119.914 -0.006 0.000 2.326 1357 V HA 0.272 4.391 4.120 -0.001 0.000 0.281 1357 V C -0.048 176.030 176.094 -0.026 0.000 1.015 1357 V CA -0.762 61.524 62.300 -0.023 0.000 0.823 1357 V CB 1.349 33.145 31.823 -0.046 0.000 1.009 1357 V HN 0.403 nan 8.190 nan 0.000 0.436 1358 K N 3.604 123.981 120.400 -0.039 0.000 2.185 1358 K HA 0.552 4.871 4.320 -0.001 0.000 0.269 1358 K C -0.572 175.994 176.600 -0.058 0.000 0.987 1358 K CA -0.644 55.620 56.287 -0.038 0.000 0.865 1358 K CB 2.336 34.814 32.500 -0.037 0.000 1.090 1358 K HN 0.377 nan 8.250 nan 0.000 0.450 1359 V N 2.463 122.359 119.914 -0.030 0.000 2.455 1359 V HA 0.158 4.277 4.120 -0.001 0.000 0.273 1359 V C 1.025 177.119 176.094 0.001 0.000 1.045 1359 V CA -0.122 62.160 62.300 -0.029 0.000 0.976 1359 V CB 0.912 32.720 31.823 -0.025 0.000 0.993 1359 V HN 0.866 nan 8.190 nan 0.000 0.475 1360 A N 3.889 126.706 122.820 -0.005 0.000 2.535 1360 A HA 0.732 5.051 4.320 -0.001 0.000 0.273 1360 A C 0.788 178.452 177.584 0.132 0.000 1.267 1360 A CA 0.376 52.458 52.037 0.076 0.000 0.940 1360 A CB -0.002 18.970 19.000 -0.047 0.000 1.101 1360 A HN 1.366 nan 8.150 nan 0.000 0.521 1361 G N -0.287 108.541 108.800 0.046 0.000 2.351 1361 G HA2 0.409 4.369 3.960 -0.001 0.000 0.296 1361 G HA3 0.409 4.369 3.960 -0.001 0.000 0.296 1361 G C -1.245 173.597 174.900 -0.097 0.000 1.685 1361 G CA -1.082 44.041 45.100 0.037 0.000 0.936 1361 G HN 0.294 nan 8.290 nan 0.000 0.714 1362 R N 3.043 123.487 120.500 -0.093 0.000 2.589 1362 R HA 0.515 4.855 4.340 -0.001 0.000 0.293 1362 R C -1.591 174.651 176.300 -0.098 0.000 0.963 1362 R CA -1.982 54.039 56.100 -0.132 0.000 0.905 1362 R CB 2.798 33.032 30.300 -0.111 0.000 1.144 1362 R HN 0.352 nan 8.270 nan 0.000 0.459 1363 P HA -0.189 nan 4.420 nan 0.000 0.218 1363 P C 0.254 177.582 177.300 0.046 0.000 1.148 1363 P CA 1.418 64.523 63.100 0.008 0.000 0.822 1363 P CB 0.419 32.092 31.700 -0.045 0.000 0.784 1364 Q N -0.214 119.561 119.800 -0.042 0.000 2.436 1364 Q HA -0.016 4.323 4.340 -0.001 0.000 0.209 1364 Q C 0.357 176.271 176.000 -0.143 0.000 0.965 1364 Q CA 0.776 56.540 55.803 -0.065 0.000 0.910 1364 Q CB -0.782 27.913 28.738 -0.071 0.000 0.980 1364 Q HN 0.437 nan 8.270 nan 0.000 0.491 1365 N N 0.474 119.018 118.700 -0.260 0.000 2.918 1365 N HA 0.329 5.069 4.740 -0.001 0.000 0.270 1365 N C -1.541 173.513 175.510 -0.761 0.000 1.536 1365 N CA -0.163 52.445 53.050 -0.737 0.000 0.877 1365 N CB 0.926 38.684 38.487 -1.216 0.000 1.190 1365 N HN 0.112 nan 8.380 nan 0.000 0.492 1366 L N 0.575 121.608 121.223 -0.317 0.000 2.346 1366 L HA 0.684 5.023 4.340 -0.001 0.000 0.274 1366 L C -0.998 175.850 176.870 -0.037 0.000 1.007 1366 L CA -0.287 54.379 54.840 -0.290 0.000 0.818 1366 L CB 1.895 43.767 42.059 -0.312 0.000 1.284 1366 L HN 0.110 nan 8.230 nan 0.000 0.424 1367 T N 5.407 119.954 114.554 -0.011 0.000 2.965 1367 T HA 0.374 4.723 4.350 -0.001 0.000 0.306 1367 T C -1.053 173.633 174.700 -0.024 0.000 0.991 1367 T CA -0.281 61.855 62.100 0.060 0.000 1.001 1367 T CB 1.245 70.211 68.868 0.163 0.000 0.984 1367 T HN 0.429 nan 8.240 nan 0.000 0.446 1368 L N 4.134 125.324 121.223 -0.056 0.000 2.275 1368 L HA 0.747 5.086 4.340 -0.001 0.000 0.288 1368 L C -0.042 176.794 176.870 -0.057 0.000 1.046 1368 L CA -0.266 54.529 54.840 -0.075 0.000 0.805 1368 L CB 0.779 42.756 42.059 -0.138 0.000 1.193 1368 L HN 0.603 nan 8.230 nan 0.000 0.426 1369 R N 3.859 124.356 120.500 -0.005 0.000 2.686 1369 R HA 0.458 4.797 4.340 -0.001 0.000 0.283 1369 R C -2.134 174.195 176.300 0.048 0.000 0.978 1369 R CA -0.678 55.427 56.100 0.008 0.000 0.897 1369 R CB 1.441 31.774 30.300 0.056 0.000 1.192 1369 R HN 0.640 nan 8.270 nan 0.000 0.457 1370 Y N 2.080 122.290 120.300 -0.150 0.000 2.329 1370 Y HA 0.546 5.095 4.550 -0.001 0.000 0.328 1370 Y C -1.436 174.339 175.900 -0.207 0.000 0.992 1370 Y CA -0.197 57.811 58.100 -0.153 0.000 1.151 1370 Y CB 2.080 40.426 38.460 -0.189 0.000 1.150 1370 Y HN 0.599 nan 8.280 nan 0.000 0.450 1371 S N 4.452 119.733 115.700 -0.700 0.000 2.543 1371 S HA 0.360 4.829 4.470 -0.001 0.000 0.273 1371 S C -1.499 172.770 174.600 -0.552 0.000 1.152 1371 S CA -0.653 57.151 58.200 -0.661 0.000 0.910 1371 S CB 0.652 63.262 63.200 -0.983 0.000 1.105 1371 S HN 0.783 nan 8.310 nan 0.000 0.465 1372 D N 2.764 122.931 120.400 -0.388 0.000 2.708 1372 D HA -0.159 4.480 4.640 -0.001 0.000 0.236 1372 D C 0.999 177.183 176.300 -0.193 0.000 1.146 1372 D CA 2.283 56.177 54.000 -0.177 0.000 0.662 1372 D CB -1.461 39.331 40.800 -0.013 0.000 1.059 1372 D HN 1.501 nan 8.370 nan 0.000 0.428 1373 G N -0.728 107.850 108.800 -0.370 0.000 2.179 1373 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.260 1373 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.260 1373 G C -0.212 174.561 174.900 -0.212 0.000 0.977 1373 G CA 0.410 45.383 45.100 -0.211 0.000 0.641 1373 G HN 0.467 nan 8.290 nan 0.000 0.533 1374 D N -0.135 120.039 120.400 -0.376 0.000 2.256 1374 D HA 0.580 5.219 4.640 -0.001 0.000 0.246 1374 D C -0.381 175.874 176.300 -0.075 0.000 1.042 1374 D CA -0.485 53.448 54.000 -0.112 0.000 0.841 1374 D CB 1.985 42.783 40.800 -0.003 0.000 1.223 1374 D HN 0.165 nan 8.370 nan 0.000 0.470 1375 L N 1.951 123.290 121.223 0.192 0.000 2.272 1375 L HA 0.451 4.790 4.340 -0.001 0.000 0.289 1375 L C -0.636 176.388 176.870 0.257 0.000 1.032 1375 L CA 0.089 55.101 54.840 0.286 0.000 0.810 1375 L CB 1.339 43.569 42.059 0.285 0.000 1.205 1375 L HN 0.234 nan 8.230 nan 0.000 0.422 1376 T N 5.892 120.569 114.554 0.206 0.000 2.848 1376 T HA 0.520 4.869 4.350 -0.001 0.000 0.285 1376 T C -1.202 173.615 174.700 0.194 0.000 0.995 1376 T CA -0.363 61.871 62.100 0.224 0.000 0.970 1376 T CB 1.512 70.490 68.868 0.182 0.000 0.976 1376 T HN 0.438 nan 8.240 nan 0.000 0.441 1377 L N 4.637 126.006 121.223 0.243 0.000 2.298 1377 L HA 0.650 4.990 4.340 -0.001 0.000 0.284 1377 L C -1.247 175.659 176.870 0.060 0.000 1.013 1377 L CA -0.689 54.229 54.840 0.130 0.000 0.824 1377 L CB 0.278 42.502 42.059 0.275 0.000 1.221 1377 L HN 0.630 nan 8.230 nan 0.000 0.418 1378 I N 5.724 126.291 120.570 -0.006 0.000 2.362 1378 I HA 0.317 4.487 4.170 -0.001 0.000 0.289 1378 I C -1.088 175.041 176.117 0.020 0.000 0.994 1378 I CA -0.506 60.842 61.300 0.080 0.000 1.158 1378 I CB 1.227 39.323 38.000 0.160 0.000 1.315 1378 I HN 0.498 nan 8.210 nan 0.000 0.451 1379 Y N 6.398 126.816 120.300 0.196 0.000 2.335 1379 Y HA 0.530 5.079 4.550 -0.001 0.000 0.338 1379 Y C -0.055 175.947 175.900 0.171 0.000 0.977 1379 Y CA -0.663 57.487 58.100 0.084 0.000 1.114 1379 Y CB 1.374 39.849 38.460 0.025 0.000 1.182 1379 Y HN 0.472 nan 8.280 nan 0.000 0.463 1380 F N -1.378 118.679 119.950 0.177 0.000 2.835 1380 F HA 0.851 5.377 4.527 -0.001 0.000 0.373 1380 F C 1.016 176.848 175.800 0.054 0.000 1.209 1380 F CA -1.266 56.781 58.000 0.078 0.000 1.082 1380 F CB 0.581 39.591 39.000 0.016 0.000 1.472 1380 F HN 0.492 nan 8.300 nan 0.000 0.519 1381 G N -0.116 108.816 108.800 0.221 0.000 2.176 1381 G HA2 0.031 3.991 3.960 -0.001 0.000 0.252 1381 G HA3 0.031 3.991 3.960 -0.001 0.000 0.252 1381 G C 0.265 175.178 174.900 0.021 0.000 1.024 1381 G CA -0.041 45.103 45.100 0.073 0.000 0.755 1381 G HN 1.293 nan 8.290 nan 0.000 0.507 1382 G N -0.892 107.932 108.800 0.040 0.000 2.588 1382 G HA2 0.543 4.503 3.960 -0.001 0.000 0.281 1382 G HA3 0.543 4.503 3.960 -0.001 0.000 0.281 1382 G C 0.111 175.030 174.900 0.032 0.000 1.236 1382 G CA -0.400 44.724 45.100 0.041 0.000 0.969 1382 G HN 0.499 nan 8.290 nan 0.000 0.504 1383 E N 0.464 120.689 120.200 0.041 0.000 2.384 1383 E HA 0.072 4.421 4.350 -0.001 0.000 0.266 1383 E C -0.029 176.609 176.600 0.064 0.000 1.012 1383 E CA 0.237 56.661 56.400 0.040 0.000 0.901 1383 E CB 0.910 30.631 29.700 0.035 0.000 0.967 1383 E HN 0.412 nan 8.360 nan 0.000 0.435 1384 E N 1.527 121.757 120.200 0.051 0.000 2.413 1384 E HA 0.008 4.358 4.350 -0.001 0.000 0.263 1384 E C -0.568 176.091 176.600 0.097 0.000 1.015 1384 E CA -0.158 56.282 56.400 0.068 0.000 0.916 1384 E CB 0.668 30.398 29.700 0.050 0.000 0.947 1384 E HN 0.400 nan 8.360 nan 0.000 0.440 1385 c N 1.439 120.122 118.600 0.138 0.000 2.335 1385 c HA 0.059 4.629 4.570 -0.001 0.000 0.363 1385 c C 2.214 176.352 174.090 0.079 0.000 1.198 1385 c CA -0.116 56.294 56.329 0.135 0.000 2.279 1385 c CB 1.045 43.676 42.510 0.201 0.000 2.334 1385 c HN 0.968 nan 8.230 nan 0.000 0.559 1386 S N 1.053 116.785 115.700 0.053 0.000 2.440 1386 S HA -0.179 4.290 4.470 -0.001 0.000 0.240 1386 S C 1.578 176.158 174.600 -0.034 0.000 1.014 1386 S CA 1.866 60.074 58.200 0.015 0.000 0.980 1386 S CB -0.696 62.513 63.200 0.015 0.000 0.775 1386 S HN 0.965 nan 8.310 nan 0.000 0.499 1387 S N 0.525 116.181 115.700 -0.074 0.000 2.481 1387 S HA 0.359 4.828 4.470 -0.001 0.000 0.231 1387 S C 1.772 176.273 174.600 -0.165 0.000 0.996 1387 S CA 0.746 58.797 58.200 -0.248 0.000 0.942 1387 S CB -0.770 62.084 63.200 -0.576 0.000 0.768 1387 S HN 1.556 nan 8.310 nan 0.000 0.520 1388 G N 0.264 109.051 108.800 -0.022 0.000 2.195 1388 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.224 1388 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.224 1388 G C -0.142 174.826 174.900 0.113 0.000 0.990 1388 G CA -0.117 45.002 45.100 0.031 0.000 0.639 1388 G HN 0.557 nan 8.290 nan 0.000 0.514 1389 F N 3.383 123.328 119.950 -0.008 0.000 2.502 1389 F HA 0.538 5.064 4.527 -0.001 0.000 0.371 1389 F C 1.007 176.881 175.800 0.122 0.000 1.083 1389 F CA -0.252 57.810 58.000 0.103 0.000 1.174 1389 F CB 0.530 39.667 39.000 0.229 0.000 1.096 1389 F HN 0.242 nan 8.300 nan 0.000 0.545 1390 Q N 6.021 125.607 119.800 -0.356 0.000 2.255 1390 Q HA 0.072 4.412 4.340 -0.001 0.000 0.280 1390 Q C 0.153 175.971 176.000 -0.305 0.000 1.068 1390 Q CA 0.134 55.794 55.803 -0.238 0.000 0.911 1390 Q CB 0.537 29.163 28.738 -0.187 0.000 1.157 1390 Q HN 0.603 nan 8.270 nan 0.000 0.380 1391 R N 2.546 123.074 120.500 0.045 0.000 2.640 1391 R HA 0.125 4.464 4.340 -0.001 0.000 0.270 1391 R C 0.111 176.528 176.300 0.195 0.000 1.024 1391 R CA 0.578 56.830 56.100 0.254 0.000 1.085 1391 R CB 0.241 30.785 30.300 0.407 0.000 0.963 1391 R HN 0.599 nan 8.270 nan 0.000 0.426 1392 M N -1.168 118.614 119.600 0.302 0.000 2.575 1392 M HA 0.523 5.002 4.480 -0.001 0.000 0.284 1392 M C -1.305 175.195 176.300 0.334 0.000 1.253 1392 M CA -0.669 54.799 55.300 0.280 0.000 0.861 1392 M CB 2.729 35.459 32.600 0.217 0.000 1.733 1392 M HN 0.269 nan 8.290 nan 0.000 0.462 1393 S N 1.439 117.334 115.700 0.326 0.000 2.521 1393 S HA 0.779 5.248 4.470 -0.001 0.000 0.295 1393 S C -1.102 173.646 174.600 0.247 0.000 1.098 1393 S CA -0.796 57.612 58.200 0.346 0.000 0.999 1393 S CB 2.077 65.538 63.200 0.436 0.000 1.034 1393 S HN 0.910 nan 8.310 nan 0.000 0.483 1394 V N 2.329 122.334 119.914 0.152 0.000 2.588 1394 V HA 0.707 4.826 4.120 -0.001 0.000 0.304 1394 V C -1.251 175.011 176.094 0.280 0.000 1.042 1394 V CA -0.743 61.658 62.300 0.169 0.000 0.877 1394 V CB 1.131 33.024 31.823 0.117 0.000 0.996 1394 V HN 0.856 nan 8.190 nan 0.000 0.425 1395 I N 5.655 126.359 120.570 0.222 0.000 2.355 1395 I HA 0.469 4.638 4.170 -0.001 0.000 0.288 1395 I C -0.191 175.967 176.117 0.068 0.000 0.999 1395 I CA -0.509 60.865 61.300 0.123 0.000 1.163 1395 I CB 1.557 39.497 38.000 -0.100 0.000 1.316 1395 I HN 0.621 nan 8.210 nan 0.000 0.454 1396 N N 7.294 126.053 118.700 0.097 0.000 2.602 1396 N HA 0.261 5.000 4.740 -0.001 0.000 0.238 1396 N C -0.619 174.941 175.510 0.083 0.000 1.084 1396 N CA -0.131 52.994 53.050 0.125 0.000 0.952 1396 N CB 0.495 39.062 38.487 0.133 0.000 1.244 1396 N HN 0.348 nan 8.380 nan 0.000 0.512 1397 F N 1.038 121.069 119.950 0.134 0.000 2.518 1397 F HA 0.076 4.602 4.527 -0.001 0.000 0.359 1397 F C 1.148 177.010 175.800 0.104 0.000 1.118 1397 F CA 0.186 58.245 58.000 0.098 0.000 1.287 1397 F CB 0.801 39.793 39.000 -0.013 0.000 1.132 1397 F HN 0.226 nan 8.300 nan 0.000 0.587 1398 E N 1.113 121.504 120.200 0.317 0.000 2.293 1398 E HA 0.272 4.622 4.350 -0.001 0.000 0.270 1398 E C -1.356 175.357 176.600 0.189 0.000 0.879 1398 E CA -0.717 55.812 56.400 0.214 0.000 0.756 1398 E CB 1.673 31.475 29.700 0.169 0.000 1.208 1398 E HN 0.661 nan 8.360 nan 0.000 0.428 1399 c N 4.171 122.851 118.600 0.134 0.000 2.632 1399 c HA 0.621 5.190 4.570 -0.001 0.000 0.415 1399 c C -0.471 173.670 174.090 0.085 0.000 1.332 1399 c CA -0.165 56.218 56.329 0.090 0.000 1.874 1399 c CB -0.855 41.690 42.510 0.059 0.000 2.596 1399 c HN 0.622 nan 8.230 nan 0.000 0.590 1400 N N 4.079 122.823 118.700 0.073 0.000 2.699 1400 N HA 0.161 4.901 4.740 -0.001 0.000 0.271 1400 N C 0.457 175.989 175.510 0.037 0.000 1.216 1400 N CA -0.324 52.767 53.050 0.067 0.000 0.844 1400 N CB 1.095 39.644 38.487 0.103 0.000 1.462 1400 N HN 0.799 nan 8.380 nan 0.000 0.555 1401 Q N 0.476 120.284 119.800 0.013 0.000 2.135 1401 Q HA -0.056 4.283 4.340 -0.001 0.000 0.204 1401 Q C 0.959 176.958 176.000 -0.002 0.000 0.981 1401 Q CA 1.899 57.694 55.803 -0.013 0.000 0.856 1401 Q CB -0.231 28.498 28.738 -0.015 0.000 0.902 1401 Q HN 0.780 nan 8.270 nan 0.000 0.425 1402 T N -2.233 112.334 114.554 0.022 0.000 3.244 1402 T HA 0.555 4.905 4.350 -0.001 0.000 0.254 1402 T C 0.538 175.270 174.700 0.054 0.000 1.024 1402 T CA 0.107 62.226 62.100 0.031 0.000 0.920 1402 T CB 0.039 68.925 68.868 0.029 0.000 1.042 1402 T HN 0.200 nan 8.240 nan 0.000 0.572 1403 A N 1.112 123.976 122.820 0.074 0.000 2.531 1403 A HA 0.573 4.892 4.320 -0.001 0.000 0.236 1403 A C 1.200 178.853 177.584 0.116 0.000 1.062 1403 A CA -0.043 52.062 52.037 0.114 0.000 0.760 1403 A CB -0.524 18.579 19.000 0.171 0.000 0.995 1403 A HN 0.637 nan 8.150 nan 0.000 0.501 1404 G N 0.612 109.482 108.800 0.116 0.000 2.744 1404 G HA2 0.265 4.224 3.960 -0.001 0.000 0.257 1404 G HA3 0.265 4.224 3.960 -0.001 0.000 0.257 1404 G C 0.389 175.371 174.900 0.137 0.000 1.244 1404 G CA 0.277 45.440 45.100 0.106 0.000 0.916 1404 G HN 1.134 nan 8.290 nan 0.000 0.564 1405 N N -0.278 118.491 118.700 0.116 0.000 2.727 1405 N HA -0.203 4.537 4.740 -0.001 0.000 0.249 1405 N C 0.292 175.893 175.510 0.151 0.000 1.048 1405 N CA 1.288 54.417 53.050 0.132 0.000 0.714 1405 N CB -1.110 37.485 38.487 0.180 0.000 0.959 1405 N HN 0.722 nan 8.380 nan 0.000 0.544 1406 N N -1.396 117.373 118.700 0.114 0.000 2.740 1406 N HA -0.205 4.535 4.740 -0.001 0.000 0.248 1406 N C 1.037 176.622 175.510 0.125 0.000 1.062 1406 N CA 2.095 55.208 53.050 0.105 0.000 0.704 1406 N CB -1.351 37.200 38.487 0.107 0.000 0.968 1406 N HN 0.817 nan 8.380 nan 0.000 0.547 1407 G N -1.214 107.661 108.800 0.125 0.000 2.253 1407 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.251 1407 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.251 1407 G C 1.079 176.139 174.900 0.267 0.000 0.998 1407 G CA 0.619 45.787 45.100 0.112 0.000 0.621 1407 G HN 0.519 nan 8.290 nan 0.000 0.524 1408 R N 0.899 121.629 120.500 0.384 0.000 2.115 1408 R HA 0.290 4.629 4.340 -0.001 0.000 0.230 1408 R C 2.100 178.769 176.300 0.615 0.000 1.111 1408 R CA 1.271 57.686 56.100 0.526 0.000 0.976 1408 R CB -0.424 30.162 30.300 0.477 0.000 0.870 1408 R HN 1.481 nan 8.270 nan 0.000 0.445 1409 G N 0.182 109.250 108.800 0.446 0.000 2.601 1409 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.261 1409 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.261 1409 G C -0.707 174.357 174.900 0.273 0.000 1.289 1409 G CA -0.270 45.062 45.100 0.387 0.000 0.920 1409 G HN 0.645 nan 8.290 nan 0.000 0.571 1410 A N -0.217 122.527 122.820 -0.127 0.000 2.555 1410 A HA 0.791 5.110 4.320 -0.001 0.000 0.297 1410 A C -2.770 174.254 177.584 -0.933 0.000 1.060 1410 A CA -0.028 51.672 52.037 -0.562 0.000 0.710 1410 A CB 1.975 20.912 19.000 -0.106 0.000 1.282 1410 A HN 1.083 nan 8.150 nan 0.000 0.399 1411 P HA 0.354 nan 4.420 nan 0.000 0.271 1411 P C -0.567 176.614 177.300 -0.198 0.000 1.216 1411 P CA 0.124 62.755 63.100 -0.782 0.000 0.771 1411 P CB 1.163 32.349 31.700 -0.856 0.000 0.864 1412 V N 4.854 124.775 119.914 0.013 0.000 2.448 1412 V HA 0.224 4.343 4.120 -0.001 0.000 0.295 1412 V C 0.082 176.295 176.094 0.199 0.000 1.025 1412 V CA -0.770 61.591 62.300 0.103 0.000 0.859 1412 V CB 1.111 32.961 31.823 0.044 0.000 0.988 1412 V HN 0.454 nan 8.190 nan 0.000 0.431 1413 F N 4.654 124.615 119.950 0.018 0.000 2.504 1413 F HA 0.327 4.853 4.527 -0.001 0.000 0.369 1413 F C 1.402 177.072 175.800 -0.216 0.000 1.082 1413 F CA 0.390 58.194 58.000 -0.327 0.000 1.216 1413 F CB 1.412 40.190 39.000 -0.369 0.000 1.108 1413 F HN 0.656 nan 8.300 nan 0.000 0.554 1414 T N 1.751 115.809 114.554 -0.827 0.000 3.023 1414 T HA 0.600 4.949 4.350 -0.001 0.000 0.253 1414 T C 0.564 174.775 174.700 -0.816 0.000 1.038 1414 T CA 0.143 61.891 62.100 -0.586 0.000 0.962 1414 T CB -0.292 68.395 68.868 -0.301 0.000 1.018 1414 T HN 1.175 nan 8.240 nan 0.000 0.521 1415 G N 0.532 108.346 108.800 -1.643 0.000 2.347 1415 G HA2 0.330 4.289 3.960 -0.001 0.000 0.321 1415 G HA3 0.330 4.289 3.960 -0.001 0.000 0.321 1415 G C -2.039 172.566 174.900 -0.491 0.000 1.412 1415 G CA -0.748 43.751 45.100 -1.001 0.000 0.990 1415 G HN 0.444 nan 8.290 nan 0.000 0.637 1416 E N -0.923 119.259 120.200 -0.031 0.000 2.238 1416 E HA 0.680 5.029 4.350 -0.001 0.000 0.267 1416 E C -1.321 175.287 176.600 0.014 0.000 0.887 1416 E CA -0.917 55.504 56.400 0.035 0.000 0.769 1416 E CB 2.364 32.130 29.700 0.109 0.000 1.187 1416 E HN 0.548 nan 8.360 nan 0.000 0.416 1417 V N 4.462 124.370 119.914 -0.010 0.000 2.419 1417 V HA 0.167 4.286 4.120 -0.001 0.000 0.287 1417 V C -0.972 175.052 176.094 -0.116 0.000 1.017 1417 V CA -0.785 61.501 62.300 -0.024 0.000 0.844 1417 V CB 1.406 33.253 31.823 0.040 0.000 1.011 1417 V HN 0.928 nan 8.190 nan 0.000 0.429 1418 D N 3.450 123.798 120.400 -0.087 0.000 2.740 1418 D HA -0.231 4.408 4.640 -0.001 0.000 0.231 1418 D C 0.944 177.205 176.300 -0.065 0.000 1.194 1418 D CA 1.099 55.071 54.000 -0.047 0.000 0.673 1418 D CB -0.851 39.903 40.800 -0.075 0.000 0.995 1418 D HN 0.950 nan 8.370 nan 0.000 0.411 1419 c N -1.586 116.929 118.600 -0.142 0.000 4.465 1419 c HA -0.174 4.395 4.570 -0.001 0.000 0.274 1419 c C 0.837 174.814 174.090 -0.189 0.000 1.337 1419 c CA 0.914 57.163 56.329 -0.134 0.000 1.822 1419 c CB -2.379 40.317 42.510 0.310 0.000 1.357 1419 c HN 0.620 nan 8.230 nan 0.000 0.753 1420 T N 0.019 114.334 114.554 -0.400 0.000 2.786 1420 T HA 0.563 4.912 4.350 -0.001 0.000 0.283 1420 T C -0.692 173.600 174.700 -0.679 0.000 0.992 1420 T CA -0.052 61.855 62.100 -0.322 0.000 0.954 1420 T CB 0.688 69.405 68.868 -0.252 0.000 0.934 1420 T HN 0.211 nan 8.240 nan 0.000 0.440 1421 Y N 2.478 122.678 120.300 -0.167 0.000 2.328 1421 Y HA 0.571 5.120 4.550 -0.001 0.000 0.337 1421 Y C -0.214 175.448 175.900 -0.396 0.000 1.008 1421 Y CA -1.177 56.836 58.100 -0.144 0.000 1.129 1421 Y CB 0.675 39.189 38.460 0.089 0.000 1.185 1421 Y HN 0.527 nan 8.280 nan 0.000 0.476 1422 F N 3.686 123.476 119.950 -0.265 0.000 2.436 1422 F HA 0.596 5.122 4.527 -0.001 0.000 0.340 1422 F C -0.751 174.697 175.800 -0.588 0.000 1.113 1422 F CA -0.988 56.846 58.000 -0.276 0.000 1.022 1422 F CB 0.797 39.628 39.000 -0.281 0.000 1.128 1422 F HN 0.241 nan 8.300 nan 0.000 0.466 1423 F N 0.092 120.103 119.950 0.102 0.000 2.588 1423 F HA 0.612 5.138 4.527 -0.001 0.000 0.314 1423 F C -0.014 175.797 175.800 0.019 0.000 1.069 1423 F CA -0.964 57.055 58.000 0.031 0.000 0.931 1423 F CB 2.159 41.184 39.000 0.042 0.000 1.260 1423 F HN 0.154 nan 8.300 nan 0.000 0.465 1424 T N 1.550 116.212 114.554 0.180 0.000 2.856 1424 T HA 0.339 4.688 4.350 -0.001 0.000 0.283 1424 T C -2.000 172.785 174.700 0.142 0.000 1.008 1424 T CA -0.473 61.696 62.100 0.114 0.000 0.997 1424 T CB 1.161 70.069 68.868 0.067 0.000 0.992 1424 T HN 0.508 nan 8.240 nan 0.000 0.454 1425 W N 3.604 124.825 121.300 -0.133 0.000 2.728 1425 W HA 0.373 5.032 4.660 -0.001 0.000 0.324 1425 W C -1.685 174.862 176.519 0.047 0.000 1.012 1425 W CA -1.288 55.976 57.345 -0.134 0.000 1.279 1425 W CB 0.873 30.042 29.460 -0.484 0.000 1.289 1425 W HN 0.525 nan 8.180 nan 0.000 0.418 1426 D N 3.021 123.710 120.400 0.481 0.000 2.277 1426 D HA 0.457 5.097 4.640 -0.001 0.000 0.249 1426 D C -0.084 176.491 176.300 0.458 0.000 1.134 1426 D CA 1.044 55.263 54.000 0.365 0.000 0.863 1426 D CB 1.670 42.604 40.800 0.224 0.000 1.143 1426 D HN 0.113 nan 8.370 nan 0.000 0.458 1427 T N 0.050 114.803 114.554 0.331 0.000 2.886 1427 T HA 0.188 4.537 4.350 -0.001 0.000 0.330 1427 T C 0.554 175.326 174.700 0.120 0.000 1.488 1427 T CA -0.793 61.471 62.100 0.274 0.000 1.054 1427 T CB 0.944 69.973 68.868 0.269 0.000 1.348 1427 T HN 0.410 nan 8.240 nan 0.000 0.489 1428 K N 1.760 122.173 120.400 0.021 0.000 2.217 1428 K HA -0.025 4.295 4.320 -0.001 0.000 0.202 1428 K C 0.766 177.231 176.600 -0.225 0.000 1.051 1428 K CA 1.293 57.496 56.287 -0.140 0.000 0.952 1428 K CB -0.328 32.013 32.500 -0.264 0.000 0.736 1428 K HN 0.635 nan 8.250 nan 0.000 0.453 1429 Y N 1.031 121.286 120.300 -0.075 0.000 2.632 1429 Y HA 0.095 4.644 4.550 -0.001 0.000 0.301 1429 Y C 1.709 177.468 175.900 -0.234 0.000 1.172 1429 Y CA 0.343 58.348 58.100 -0.158 0.000 1.328 1429 Y CB 0.205 38.542 38.460 -0.206 0.000 1.016 1429 Y HN 0.242 nan 8.280 nan 0.000 0.529 1430 A N -1.534 121.245 122.820 -0.069 0.000 2.564 1430 A HA 0.283 4.602 4.320 -0.001 0.000 0.279 1430 A C -0.249 177.309 177.584 -0.042 0.000 1.232 1430 A CA -0.297 51.681 52.037 -0.097 0.000 0.950 1430 A CB -0.680 18.315 19.000 -0.008 0.000 1.138 1430 A HN 0.269 nan 8.150 nan 0.000 0.526 1431 c N 1.201 119.763 118.600 -0.063 0.000 2.246 1431 c HA 0.505 5.075 4.570 -0.001 0.000 0.329 1431 c C 1.073 175.109 174.090 -0.091 0.000 1.221 1431 c CA -0.908 55.390 56.329 -0.052 0.000 1.697 1431 c CB -0.484 41.993 42.510 -0.055 0.000 2.312 1431 c HN 0.416 nan 8.230 nan 0.000 0.509 1432 V N 0.000 119.853 119.914 -0.102 0.000 2.409 1432 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1432 V CA 0.000 62.206 62.300 -0.156 0.000 1.235 1432 V CB 0.000 31.708 31.823 -0.192 0.000 1.184 1432 V HN 0.000 nan 8.190 nan 0.000 0.556