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 1xx2_1_B DATA FIRST_RESID 1002 DATA SEQUENCE PVSEKQLAEV VANTITPLMK AQSVPGMAVA VIYQGKPHYY TFGKADIAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLDDAVTR YWPQLTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVTDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMPYE QAMTTRVLKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVRV SPGMLDAQAY GVKTNVQDMA NWVMANMAPE NVADASLKQG DATA SEQUENCE IALAQSRYWR IGSMYQGLGW EMLNWPVEAN TVVEGSDSKV ALAPLPVAEV DATA SEQUENCE NPPAPPVKAS WVHKTGSTGG FGSYVAFIPE KQIGIVMLAN TSYPNPARVE DATA SEQUENCE AAYHILEAL 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 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.413 177.300 0.189 0.000 1.155 1002 P CA 0.000 63.173 63.100 0.123 0.000 0.800 1002 P CB 0.000 31.724 31.700 0.040 0.000 0.726 1003 V N 0.559 120.596 119.914 0.204 0.000 3.182 1003 V HA -0.209 4.048 4.120 0.228 0.000 0.271 1003 V C 1.309 177.465 176.094 0.104 0.000 1.563 1003 V CA 1.444 63.808 62.300 0.107 0.000 1.521 1003 V CB -0.052 31.743 31.823 -0.047 0.000 0.820 1003 V HN 0.804 nan 8.190 nan 0.000 0.434 1004 S N 3.297 119.027 115.700 0.050 0.000 2.559 1004 S HA -0.016 4.591 4.470 0.228 0.000 0.282 1004 S C 1.140 175.765 174.600 0.040 0.000 1.336 1004 S CA 0.523 58.752 58.200 0.048 0.000 1.037 1004 S CB 0.697 63.915 63.200 0.030 0.000 0.853 1004 S HN 0.923 nan 8.310 nan 0.000 0.523 1005 E N 1.612 121.850 120.200 0.063 0.000 2.371 1005 E HA 0.007 4.494 4.350 0.228 0.000 0.194 1005 E C 1.603 178.247 176.600 0.074 0.000 1.012 1005 E CA 0.221 56.664 56.400 0.072 0.000 0.860 1005 E CB 0.059 29.835 29.700 0.127 0.000 0.811 1005 E HN 0.497 nan 8.360 nan 0.000 0.502 1006 K N 0.470 120.904 120.400 0.056 0.000 2.167 1006 K HA -0.113 4.343 4.320 0.228 0.000 0.203 1006 K C 1.960 178.572 176.600 0.020 0.000 1.052 1006 K CA 0.798 57.114 56.287 0.048 0.000 0.956 1006 K CB 0.139 32.663 32.500 0.040 0.000 0.735 1006 K HN 0.154 nan 8.250 nan 0.000 0.451 1007 Q N 0.381 120.183 119.800 0.002 0.000 2.137 1007 Q HA -0.097 4.380 4.340 0.228 0.000 0.198 1007 Q C 2.057 178.021 176.000 -0.060 0.000 0.960 1007 Q CA 0.686 56.474 55.803 -0.025 0.000 0.847 1007 Q CB 0.045 28.768 28.738 -0.026 0.000 0.915 1007 Q HN 0.112 nan 8.270 nan 0.000 0.448 1008 L N 0.532 121.710 121.223 -0.074 0.000 1.994 1008 L HA -0.089 4.388 4.340 0.228 0.000 0.208 1008 L C 2.132 178.919 176.870 -0.138 0.000 1.071 1008 L CA 2.363 57.130 54.840 -0.123 0.000 0.745 1008 L CB -1.015 40.956 42.059 -0.146 0.000 0.892 1008 L HN 0.213 nan 8.230 nan 0.000 0.431 1009 A N -1.198 121.571 122.820 -0.086 0.000 2.076 1009 A HA -0.257 4.200 4.320 0.228 0.000 0.220 1009 A C 2.275 179.742 177.584 -0.195 0.000 1.160 1009 A CA 1.826 53.709 52.037 -0.257 0.000 0.653 1009 A CB -0.658 18.358 19.000 0.028 0.000 0.801 1009 A HN 0.665 nan 8.150 nan 0.000 0.455 1010 E N -0.690 119.452 120.200 -0.097 0.000 2.028 1010 E HA -0.102 4.384 4.350 0.228 0.000 0.190 1010 E C 1.983 178.540 176.600 -0.071 0.000 0.984 1010 E CA 1.157 57.521 56.400 -0.060 0.000 0.800 1010 E CB -0.174 29.505 29.700 -0.035 0.000 0.758 1010 E HN 0.325 nan 8.360 nan 0.000 0.448 1011 V N 0.299 120.163 119.914 -0.084 0.000 2.343 1011 V HA -0.208 4.049 4.120 0.228 0.000 0.247 1011 V C 2.161 178.212 176.094 -0.072 0.000 1.051 1011 V CA 1.721 63.980 62.300 -0.068 0.000 1.036 1011 V CB -0.110 31.671 31.823 -0.070 0.000 0.654 1011 V HN 0.192 nan 8.190 nan 0.000 0.451 1012 V N 0.713 120.546 119.914 -0.135 0.000 2.287 1012 V HA -0.232 4.025 4.120 0.228 0.000 0.248 1012 V C 2.865 178.910 176.094 -0.081 0.000 1.053 1012 V CA 2.360 64.578 62.300 -0.136 0.000 1.027 1012 V CB -1.287 30.314 31.823 -0.368 0.000 0.646 1012 V HN 0.681 nan 8.190 nan 0.000 0.447 1013 A N -0.005 122.780 122.820 -0.057 0.000 1.968 1013 A HA -0.134 4.323 4.320 0.228 0.000 0.217 1013 A C 1.911 179.479 177.584 -0.027 0.000 1.169 1013 A CA 1.504 53.558 52.037 0.028 0.000 0.638 1013 A CB -0.530 18.532 19.000 0.104 0.000 0.812 1013 A HN 0.576 nan 8.150 nan 0.000 0.446 1014 N N -0.471 118.212 118.700 -0.029 0.000 2.515 1014 N HA -0.027 4.849 4.740 0.228 0.000 0.185 1014 N C 1.164 176.660 175.510 -0.023 0.000 1.109 1014 N CA 1.458 54.494 53.050 -0.023 0.000 0.903 1014 N CB -0.087 38.388 38.487 -0.020 0.000 0.969 1014 N HN 0.491 nan 8.380 nan 0.000 0.450 1015 T N 0.304 114.841 114.554 -0.028 0.000 3.046 1015 T HA 0.198 4.685 4.350 0.228 0.000 0.242 1015 T C 1.744 176.411 174.700 -0.055 0.000 1.018 1015 T CA -0.028 62.074 62.100 0.004 0.000 1.131 1015 T CB 0.453 69.355 68.868 0.056 0.000 0.904 1015 T HN -0.011 nan 8.240 nan 0.000 0.459 1016 I N 2.846 123.323 120.570 -0.155 0.000 2.353 1016 I HA -0.073 4.233 4.170 0.228 0.000 0.248 1016 I C 2.921 178.842 176.117 -0.326 0.000 1.119 1016 I CA 1.509 62.622 61.300 -0.311 0.000 1.417 1016 I CB -1.761 35.837 38.000 -0.668 0.000 1.078 1016 I HN 0.413 nan 8.210 nan 0.000 0.421 1017 T N -0.523 113.883 114.554 -0.246 0.000 2.812 1017 T HA 0.002 4.489 4.350 0.228 0.000 0.264 1017 T C -0.197 174.444 174.700 -0.099 0.000 1.042 1017 T CA 0.736 62.744 62.100 -0.154 0.000 1.140 1017 T CB -1.650 67.185 68.868 -0.055 0.000 0.870 1017 T HN 0.113 nan 8.240 nan 0.000 0.445 1018 P HA 0.034 nan 4.420 nan 0.000 0.217 1018 P C 1.708 178.972 177.300 -0.060 0.000 1.150 1018 P CA 0.424 63.497 63.100 -0.046 0.000 0.832 1018 P CB -0.219 31.468 31.700 -0.022 0.000 0.787 1019 L N -1.405 119.767 121.223 -0.085 0.000 2.056 1019 L HA -0.085 4.392 4.340 0.228 0.000 0.207 1019 L C 2.233 178.998 176.870 -0.175 0.000 1.078 1019 L CA 1.954 56.727 54.840 -0.111 0.000 0.749 1019 L CB -1.076 40.915 42.059 -0.114 0.000 0.901 1019 L HN -0.109 nan 8.230 nan 0.000 0.433 1020 M N -0.845 118.645 119.600 -0.183 0.000 2.175 1020 M HA -0.197 4.420 4.480 0.228 0.000 0.264 1020 M C 2.294 178.525 176.300 -0.115 0.000 1.063 1020 M CA 1.757 56.951 55.300 -0.176 0.000 1.119 1020 M CB -0.304 32.208 32.600 -0.147 0.000 1.377 1020 M HN 0.231 nan 8.290 nan 0.000 0.415 1021 K N 0.728 121.077 120.400 -0.084 0.000 2.057 1021 K HA -0.081 4.375 4.320 0.228 0.000 0.206 1021 K C 1.951 178.520 176.600 -0.051 0.000 1.050 1021 K CA 1.392 57.646 56.287 -0.054 0.000 0.935 1021 K CB -0.059 32.419 32.500 -0.037 0.000 0.715 1021 K HN 0.233 nan 8.250 nan 0.000 0.439 1022 A N 0.726 123.513 122.820 -0.054 0.000 1.930 1022 A HA -0.108 4.349 4.320 0.228 0.000 0.217 1022 A C 1.811 179.370 177.584 -0.041 0.000 1.175 1022 A CA 1.127 53.141 52.037 -0.038 0.000 0.627 1022 A CB -0.214 18.770 19.000 -0.027 0.000 0.815 1022 A HN 0.367 nan 8.150 nan 0.000 0.443 1023 Q N -0.480 119.272 119.800 -0.080 0.000 2.319 1023 Q HA 0.155 4.632 4.340 0.228 0.000 0.202 1023 Q C 0.037 175.992 176.000 -0.075 0.000 0.896 1023 Q CA 0.604 56.358 55.803 -0.081 0.000 0.942 1023 Q CB 0.245 28.868 28.738 -0.191 0.000 1.083 1023 Q HN 0.559 nan 8.270 nan 0.000 0.510 1024 S N 0.063 115.719 115.700 -0.073 0.000 3.706 1024 S HA -0.104 4.503 4.470 0.228 0.000 0.363 1024 S C 0.044 174.607 174.600 -0.062 0.000 0.999 1024 S CA 0.267 58.433 58.200 -0.057 0.000 1.143 1024 S CB -1.600 61.581 63.200 -0.032 0.000 0.902 1024 S HN 0.191 nan 8.310 nan 0.000 0.476 1025 V N 1.557 121.413 119.914 -0.097 0.000 2.406 1025 V HA 0.166 4.423 4.120 0.228 0.000 0.272 1025 V C -0.792 175.289 176.094 -0.022 0.000 1.043 1025 V CA -1.504 60.754 62.300 -0.070 0.000 0.915 1025 V CB 1.096 32.820 31.823 -0.166 0.000 0.988 1025 V HN 0.187 nan 8.190 nan 0.000 0.466 1026 P HA 0.064 nan 4.420 nan 0.000 0.216 1026 P C 0.619 177.975 177.300 0.092 0.000 1.153 1026 P CA 1.019 64.113 63.100 -0.010 0.000 0.848 1026 P CB 0.271 31.908 31.700 -0.105 0.000 0.787 1027 G N -1.807 107.104 108.800 0.186 0.000 2.704 1027 G HA2 0.686 4.783 3.960 0.228 0.000 0.293 1027 G HA3 0.686 4.783 3.960 0.228 0.000 0.293 1027 G C -1.969 173.164 174.900 0.389 0.000 1.421 1027 G CA -0.358 44.916 45.100 0.290 0.000 0.870 1027 G HN 0.027 nan 8.290 nan 0.000 0.492 1028 M N 0.412 120.270 119.600 0.431 0.000 2.471 1028 M HA 0.666 5.283 4.480 0.228 0.000 0.284 1028 M C -1.601 174.945 176.300 0.409 0.000 1.203 1028 M CA -0.720 54.802 55.300 0.370 0.000 0.915 1028 M CB 2.282 35.021 32.600 0.231 0.000 1.734 1028 M HN 1.026 nan 8.290 nan 0.000 0.485 1029 A N 3.260 126.183 122.820 0.172 0.000 2.343 1029 A HA 0.823 5.279 4.320 0.228 0.000 0.316 1029 A C -1.623 176.078 177.584 0.194 0.000 1.104 1029 A CA -0.566 51.588 52.037 0.196 0.000 0.768 1029 A CB 1.455 20.503 19.000 0.081 0.000 1.213 1029 A HN 0.573 nan 8.150 nan 0.000 0.456 1030 V N 1.219 121.338 119.914 0.342 0.000 2.656 1030 V HA 0.801 5.057 4.120 0.228 0.000 0.307 1030 V C 0.127 176.432 176.094 0.352 0.000 1.051 1030 V CA -0.263 62.248 62.300 0.352 0.000 0.893 1030 V CB 1.763 33.866 31.823 0.467 0.000 0.999 1030 V HN 1.341 nan 8.190 nan 0.000 0.426 1031 A N 4.076 127.054 122.820 0.265 0.000 2.356 1031 A HA 0.895 5.352 4.320 0.228 0.000 0.310 1031 A C -1.156 176.503 177.584 0.124 0.000 1.075 1031 A CA -0.550 51.581 52.037 0.156 0.000 0.746 1031 A CB 1.794 20.889 19.000 0.157 0.000 1.221 1031 A HN 0.669 nan 8.150 nan 0.000 0.443 1032 V N 3.693 123.668 119.914 0.102 0.000 2.495 1032 V HA 0.414 4.671 4.120 0.228 0.000 0.298 1032 V C -0.408 175.744 176.094 0.096 0.000 1.031 1032 V CA -0.255 62.116 62.300 0.119 0.000 0.871 1032 V CB 1.587 33.518 31.823 0.180 0.000 0.988 1032 V HN 0.760 nan 8.190 nan 0.000 0.432 1033 I N 5.450 126.060 120.570 0.066 0.000 2.330 1033 I HA 0.465 4.772 4.170 0.228 0.000 0.289 1033 I C -1.059 175.150 176.117 0.153 0.000 1.001 1033 I CA -0.445 60.896 61.300 0.069 0.000 1.193 1033 I CB 0.861 38.842 38.000 -0.032 0.000 1.345 1033 I HN 0.658 nan 8.210 nan 0.000 0.461 1034 Y N 5.924 126.247 120.300 0.038 0.000 2.433 1034 Y HA 0.199 4.885 4.550 0.228 0.000 0.337 1034 Y C -0.393 175.526 175.900 0.031 0.000 1.026 1034 Y CA -0.703 57.392 58.100 -0.009 0.000 1.037 1034 Y CB 1.277 39.686 38.460 -0.084 0.000 1.245 1034 Y HN 0.534 nan 8.280 nan 0.000 0.443 1035 Q N 4.224 123.782 119.800 -0.404 0.000 2.453 1035 Q HA -0.207 4.270 4.340 0.228 0.000 0.330 1035 Q C 0.846 176.754 176.000 -0.153 0.000 1.417 1035 Q CA 1.382 56.966 55.803 -0.366 0.000 0.902 1035 Q CB -1.748 26.677 28.738 -0.522 0.000 1.154 1035 Q HN 1.448 nan 8.270 nan 0.000 0.395 1036 G N 0.038 108.769 108.800 -0.114 0.000 2.225 1036 G HA2 -0.341 3.756 3.960 0.228 0.000 0.267 1036 G HA3 -0.341 3.756 3.960 0.228 0.000 0.267 1036 G C -0.023 174.833 174.900 -0.073 0.000 1.024 1036 G CA 1.099 46.145 45.100 -0.090 0.000 0.784 1036 G HN 0.403 nan 8.290 nan 0.000 0.507 1037 K N -0.051 120.323 120.400 -0.043 0.000 2.557 1037 K HA 0.403 4.860 4.320 0.228 0.000 0.257 1037 K C -3.068 173.452 176.600 -0.132 0.000 0.933 1037 K CA -1.821 54.406 56.287 -0.100 0.000 0.820 1037 K CB 2.902 35.322 32.500 -0.134 0.000 1.330 1037 K HN -0.029 nan 8.250 nan 0.000 0.432 1038 P HA 0.212 nan 4.420 nan 0.000 0.280 1038 P C -1.243 175.605 177.300 -0.753 0.000 1.244 1038 P CA -0.181 62.661 63.100 -0.430 0.000 0.784 1038 P CB 0.571 31.977 31.700 -0.488 0.000 0.913 1039 H N 1.636 120.383 119.070 -0.538 0.000 2.646 1039 H HA 0.390 5.082 4.556 0.228 0.000 0.328 1039 H C -0.516 174.362 175.328 -0.749 0.000 0.998 1039 H CA -0.167 55.560 56.048 -0.535 0.000 1.225 1039 H CB 0.498 30.132 29.762 -0.212 0.000 1.457 1039 H HN 0.338 nan 8.280 nan 0.000 0.505 1040 Y N 2.377 122.413 120.300 -0.440 0.000 2.334 1040 Y HA 0.429 5.115 4.550 0.227 0.000 0.328 1040 Y C -0.672 174.807 175.900 -0.702 0.000 1.130 1040 Y CA -0.705 57.154 58.100 -0.402 0.000 1.163 1040 Y CB 1.018 39.363 38.460 -0.192 0.000 1.207 1040 Y HN 0.527 nan 8.280 nan 0.000 0.471 1041 Y N 0.252 120.679 120.300 0.211 0.000 2.396 1041 Y HA 0.460 5.147 4.550 0.228 0.000 0.332 1041 Y C -0.292 175.554 175.900 -0.090 0.000 1.034 1041 Y CA -1.455 56.648 58.100 0.004 0.000 1.057 1041 Y CB 2.112 40.628 38.460 0.094 0.000 1.220 1041 Y HN 0.576 nan 8.280 nan 0.000 0.440 1042 T N -0.040 114.388 114.554 -0.210 0.000 2.863 1042 T HA 0.874 5.361 4.350 0.228 0.000 0.285 1042 T C -1.110 173.332 174.700 -0.431 0.000 1.009 1042 T CA -0.713 61.319 62.100 -0.115 0.000 0.989 1042 T CB 1.119 70.006 68.868 0.031 0.000 1.004 1042 T HN 0.245 nan 8.240 nan 0.000 0.455 1043 F N 0.597 120.655 119.950 0.180 0.000 2.576 1043 F HA 0.765 5.429 4.527 0.228 0.000 0.313 1043 F C 1.136 177.021 175.800 0.142 0.000 1.078 1043 F CA -0.016 58.069 58.000 0.141 0.000 0.921 1043 F CB 1.784 40.854 39.000 0.116 0.000 1.232 1043 F HN 1.212 nan 8.300 nan 0.000 0.459 1044 G N 2.101 111.069 108.800 0.281 0.000 2.569 1044 G HA2 -0.136 3.961 3.960 0.228 0.000 0.259 1044 G HA3 -0.136 3.961 3.960 0.228 0.000 0.259 1044 G C -1.151 173.847 174.900 0.163 0.000 1.263 1044 G CA -0.700 44.517 45.100 0.194 0.000 0.928 1044 G HN 0.542 nan 8.290 nan 0.000 0.572 1045 K N 0.352 120.837 120.400 0.142 0.000 2.221 1045 K HA 0.724 5.180 4.320 0.228 0.000 0.258 1045 K C 0.973 177.678 176.600 0.176 0.000 0.944 1045 K CA -0.117 56.247 56.287 0.130 0.000 0.823 1045 K CB 1.640 34.182 32.500 0.071 0.000 1.113 1045 K HN 0.959 nan 8.250 nan 0.000 0.431 1046 A N 1.311 124.236 122.820 0.175 0.000 2.044 1046 A HA -0.002 4.455 4.320 0.228 0.000 0.213 1046 A C 0.180 177.926 177.584 0.270 0.000 1.169 1046 A CA 0.951 53.094 52.037 0.177 0.000 0.724 1046 A CB 0.225 19.288 19.000 0.105 0.000 0.840 1046 A HN 0.643 nan 8.150 nan 0.000 0.463 1047 D N -0.753 119.803 120.400 0.259 0.000 2.479 1047 D HA 0.390 5.167 4.640 0.228 0.000 0.246 1047 D C 0.616 177.040 176.300 0.206 0.000 1.336 1047 D CA -0.386 53.818 54.000 0.340 0.000 0.967 1047 D CB 0.807 41.796 40.800 0.315 0.000 1.275 1047 D HN 0.137 nan 8.370 nan 0.000 0.577 1048 I N 2.091 122.768 120.570 0.178 0.000 2.142 1048 I HA -0.225 4.081 4.170 0.228 0.000 0.240 1048 I C 2.495 178.625 176.117 0.022 0.000 1.078 1048 I CA 1.242 62.547 61.300 0.009 0.000 1.343 1048 I CB -0.099 37.791 38.000 -0.184 0.000 1.046 1048 I HN 0.428 nan 8.210 nan 0.000 0.405 1049 A N 0.620 123.460 122.820 0.033 0.000 1.940 1049 A HA -0.125 4.332 4.320 0.228 0.000 0.219 1049 A C 2.272 179.867 177.584 0.018 0.000 1.176 1049 A CA 1.988 54.026 52.037 0.001 0.000 0.631 1049 A CB -0.670 18.305 19.000 -0.041 0.000 0.814 1049 A HN 0.472 nan 8.150 nan 0.000 0.446 1050 A N -1.492 121.361 122.820 0.054 0.000 2.345 1050 A HA 0.266 4.723 4.320 0.228 0.000 0.225 1050 A C 0.792 178.408 177.584 0.053 0.000 1.243 1050 A CA 0.432 52.503 52.037 0.057 0.000 0.875 1050 A CB -0.721 18.332 19.000 0.087 0.000 0.929 1050 A HN 0.645 nan 8.150 nan 0.000 0.502 1051 N N -0.186 118.544 118.700 0.051 0.000 2.705 1051 N HA -0.154 4.723 4.740 0.228 0.000 0.255 1051 N C -0.913 174.631 175.510 0.056 0.000 1.008 1051 N CA 0.686 53.763 53.050 0.045 0.000 0.742 1051 N CB -0.592 37.912 38.487 0.029 0.000 0.906 1051 N HN 0.573 nan 8.380 nan 0.000 0.541 1052 K N 1.216 121.663 120.400 0.078 0.000 2.235 1052 K HA 0.426 4.883 4.320 0.228 0.000 0.266 1052 K C -2.267 174.389 176.600 0.093 0.000 0.980 1052 K CA -1.509 54.826 56.287 0.079 0.000 0.849 1052 K CB 1.753 34.305 32.500 0.085 0.000 1.098 1052 K HN 0.136 nan 8.250 nan 0.000 0.445 1053 P HA 0.069 nan 4.420 nan 0.000 0.276 1053 P C -0.377 176.997 177.300 0.124 0.000 1.244 1053 P CA -0.487 62.672 63.100 0.099 0.000 0.801 1053 P CB 0.896 32.642 31.700 0.078 0.000 1.006 1054 V N 2.377 122.386 119.914 0.159 0.000 2.488 1054 V HA 0.268 4.525 4.120 0.228 0.000 0.277 1054 V C 1.108 177.304 176.094 0.170 0.000 1.046 1054 V CA 0.467 62.894 62.300 0.212 0.000 0.986 1054 V CB 0.489 32.508 31.823 0.326 0.000 0.989 1054 V HN 0.831 nan 8.190 nan 0.000 0.475 1055 T N 2.725 117.378 114.554 0.166 0.000 2.907 1055 T HA 0.492 4.979 4.350 0.228 0.000 0.290 1055 T C -2.322 172.426 174.700 0.080 0.000 1.066 1055 T CA -2.154 60.006 62.100 0.101 0.000 1.012 1055 T CB 2.088 71.007 68.868 0.086 0.000 1.184 1055 T HN 0.307 nan 8.240 nan 0.000 0.522 1056 P HA 0.017 nan 4.420 nan 0.000 0.228 1056 P C 1.140 178.357 177.300 -0.138 0.000 1.151 1056 P CA 0.751 63.766 63.100 -0.142 0.000 0.770 1056 P CB 0.116 31.631 31.700 -0.309 0.000 0.786 1057 Q N -1.938 117.804 119.800 -0.097 0.000 2.282 1057 Q HA 0.102 4.579 4.340 0.228 0.000 0.206 1057 Q C 0.243 176.209 176.000 -0.055 0.000 0.878 1057 Q CA 0.490 56.174 55.803 -0.200 0.000 0.944 1057 Q CB -0.108 28.395 28.738 -0.392 0.000 1.100 1057 Q HN 0.198 nan 8.270 nan 0.000 0.509 1058 T N 2.154 116.777 114.554 0.116 0.000 2.853 1058 T HA 0.179 4.666 4.350 0.228 0.000 0.298 1058 T C 0.430 175.225 174.700 0.159 0.000 0.978 1058 T CA 0.156 62.347 62.100 0.152 0.000 1.152 1058 T CB 0.403 69.363 68.868 0.153 0.000 0.914 1058 T HN 0.091 nan 8.240 nan 0.000 0.539 1059 L N 4.122 125.377 121.223 0.054 0.000 2.305 1059 L HA 0.491 4.968 4.340 0.228 0.000 0.281 1059 L C -0.410 176.395 176.870 -0.108 0.000 1.085 1059 L CA -0.449 54.402 54.840 0.019 0.000 0.813 1059 L CB 0.330 42.321 42.059 -0.113 0.000 1.157 1059 L HN 0.533 nan 8.230 nan 0.000 0.436 1060 F N 0.646 120.567 119.950 -0.049 0.000 2.538 1060 F HA 0.373 5.037 4.527 0.227 0.000 0.325 1060 F C 0.364 175.916 175.800 -0.413 0.000 1.066 1060 F CA -0.845 57.075 58.000 -0.134 0.000 0.946 1060 F CB 1.546 40.617 39.000 0.119 0.000 1.199 1060 F HN 0.377 nan 8.300 nan 0.000 0.473 1061 E N 2.176 121.944 120.200 -0.719 0.000 2.194 1061 E HA 0.213 4.700 4.350 0.228 0.000 0.284 1061 E C 0.502 177.044 176.600 -0.097 0.000 1.035 1061 E CA -0.086 56.034 56.400 -0.467 0.000 0.836 1061 E CB 0.916 30.235 29.700 -0.636 0.000 1.070 1061 E HN 0.604 nan 8.360 nan 0.000 0.401 1062 L N 2.961 124.177 121.223 -0.012 0.000 2.395 1062 L HA 0.022 4.498 4.340 0.228 0.000 0.218 1062 L C 1.431 178.380 176.870 0.131 0.000 1.130 1062 L CA 0.613 55.502 54.840 0.083 0.000 0.826 1062 L CB -0.811 41.288 42.059 0.067 0.000 0.941 1062 L HN 0.904 nan 8.230 nan 0.000 0.451 1063 G N 0.300 109.182 108.800 0.138 0.000 2.596 1063 G HA2 -0.398 3.698 3.960 0.228 0.000 0.295 1063 G HA3 -0.398 3.698 3.960 0.228 0.000 0.295 1063 G C 0.852 175.881 174.900 0.214 0.000 1.240 1063 G CA 0.396 45.614 45.100 0.196 0.000 0.985 1063 G HN 0.227 nan 8.290 nan 0.000 0.555 1064 S N 0.281 116.110 115.700 0.215 0.000 2.469 1064 S HA -0.003 4.604 4.470 0.228 0.000 0.238 1064 S C 2.270 176.982 174.600 0.187 0.000 0.998 1064 S CA 1.395 59.736 58.200 0.234 0.000 0.957 1064 S CB -0.234 63.140 63.200 0.291 0.000 0.764 1064 S HN 0.473 nan 8.310 nan 0.000 0.514 1065 I N 1.290 121.956 120.570 0.160 0.000 2.916 1065 I HA -0.107 4.199 4.170 0.228 0.000 0.267 1065 I C 1.976 178.185 176.117 0.154 0.000 1.263 1065 I CA 0.423 61.797 61.300 0.123 0.000 1.471 1065 I CB -0.342 37.751 38.000 0.155 0.000 1.089 1065 I HN 0.193 nan 8.210 nan 0.000 0.468 1066 S N 0.871 116.673 115.700 0.171 0.000 2.419 1066 S HA -0.170 4.437 4.470 0.228 0.000 0.235 1066 S C 1.874 176.594 174.600 0.200 0.000 1.019 1066 S CA 1.202 59.511 58.200 0.181 0.000 0.982 1066 S CB -0.139 63.108 63.200 0.078 0.000 0.789 1066 S HN 0.457 nan 8.310 nan 0.000 0.490 1067 K N 0.868 121.349 120.400 0.136 0.000 2.280 1067 K HA -0.076 4.381 4.320 0.228 0.000 0.202 1067 K C 2.336 178.948 176.600 0.021 0.000 1.047 1067 K CA 1.500 57.851 56.287 0.106 0.000 0.942 1067 K CB -0.368 32.212 32.500 0.132 0.000 0.739 1067 K HN 0.587 nan 8.250 nan 0.000 0.457 1068 T N -1.361 113.123 114.554 -0.116 0.000 2.904 1068 T HA -0.086 4.401 4.350 0.228 0.000 0.267 1068 T C 1.710 176.371 174.700 -0.065 0.000 1.059 1068 T CA 0.749 62.612 62.100 -0.396 0.000 1.137 1068 T CB -0.324 67.974 68.868 -0.950 0.000 0.879 1068 T HN 0.026 nan 8.240 nan 0.000 0.467 1069 F N 2.219 122.182 119.950 0.022 0.000 2.163 1069 F HA 0.056 4.718 4.527 0.225 0.000 0.297 1069 F C 2.974 178.821 175.800 0.078 0.000 1.094 1069 F CA 1.301 59.287 58.000 -0.023 0.000 1.290 1069 F CB -1.009 37.827 39.000 -0.272 0.000 1.017 1069 F HN 0.138 nan 8.300 nan 0.000 0.483 1070 T N -0.650 114.068 114.554 0.273 0.000 2.746 1070 T HA -0.141 4.346 4.350 0.228 0.000 0.267 1070 T C 2.366 177.231 174.700 0.274 0.000 1.039 1070 T CA 1.406 63.674 62.100 0.280 0.000 1.142 1070 T CB -1.030 67.991 68.868 0.255 0.000 0.866 1070 T HN 0.437 nan 8.240 nan 0.000 0.444 1071 G N 0.867 109.793 108.800 0.209 0.000 2.402 1071 G HA2 -0.141 3.956 3.960 0.228 0.000 0.216 1071 G HA3 -0.141 3.956 3.960 0.228 0.000 0.216 1071 G C 1.687 176.723 174.900 0.226 0.000 1.162 1071 G CA 0.675 45.895 45.100 0.200 0.000 0.777 1071 G HN 0.435 nan 8.290 nan 0.000 0.539 1072 V N 0.571 120.626 119.914 0.235 0.000 2.453 1072 V HA -0.073 4.183 4.120 0.228 0.000 0.247 1072 V C 2.640 178.849 176.094 0.192 0.000 1.048 1072 V CA 1.427 63.875 62.300 0.247 0.000 1.049 1072 V CB -0.231 31.814 31.823 0.370 0.000 0.672 1072 V HN 0.348 nan 8.190 nan 0.000 0.457 1073 L N 1.431 122.756 121.223 0.171 0.000 2.046 1073 L HA -0.027 4.449 4.340 0.228 0.000 0.208 1073 L C 2.315 179.216 176.870 0.053 0.000 1.077 1073 L CA 2.491 57.373 54.840 0.071 0.000 0.747 1073 L CB -1.285 40.769 42.059 -0.009 0.000 0.896 1073 L HN 0.263 nan 8.230 nan 0.000 0.432 1074 G N -1.236 107.640 108.800 0.126 0.000 2.408 1074 G HA2 -0.171 3.926 3.960 0.228 0.000 0.217 1074 G HA3 -0.171 3.926 3.960 0.228 0.000 0.217 1074 G C 1.509 176.506 174.900 0.161 0.000 1.150 1074 G CA 0.524 45.705 45.100 0.136 0.000 0.776 1074 G HN 0.598 nan 8.290 nan 0.000 0.542 1075 G N 0.481 109.386 108.800 0.175 0.000 2.418 1075 G HA2 -0.234 3.863 3.960 0.228 0.000 0.217 1075 G HA3 -0.234 3.863 3.960 0.228 0.000 0.217 1075 G C 1.489 176.446 174.900 0.095 0.000 1.158 1075 G CA 1.250 46.435 45.100 0.143 0.000 0.771 1075 G HN 0.445 nan 8.290 nan 0.000 0.545 1076 D N 1.069 121.515 120.400 0.076 0.000 2.117 1076 D HA -0.076 4.700 4.640 0.228 0.000 0.197 1076 D C 2.711 179.024 176.300 0.021 0.000 0.987 1076 D CA 1.189 55.216 54.000 0.044 0.000 0.829 1076 D CB -0.095 40.726 40.800 0.035 0.000 0.961 1076 D HN 0.245 nan 8.370 nan 0.000 0.460 1077 A N 0.815 123.638 122.820 0.004 0.000 1.933 1077 A HA -0.111 4.345 4.320 0.228 0.000 0.218 1077 A C 2.453 180.038 177.584 0.002 0.000 1.175 1077 A CA 0.860 52.882 52.037 -0.025 0.000 0.628 1077 A CB -0.630 18.319 19.000 -0.084 0.000 0.814 1077 A HN 0.337 nan 8.150 nan 0.000 0.444 1078 I N -0.264 120.327 120.570 0.034 0.000 2.226 1078 I HA -0.260 4.046 4.170 0.228 0.000 0.245 1078 I C 2.926 179.072 176.117 0.048 0.000 1.100 1078 I CA 1.053 62.386 61.300 0.055 0.000 1.374 1078 I CB -0.323 37.730 38.000 0.088 0.000 1.057 1078 I HN 0.340 nan 8.210 nan 0.000 0.413 1079 A N 0.722 123.569 122.820 0.045 0.000 2.019 1079 A HA -0.175 4.281 4.320 0.228 0.000 0.219 1079 A C 2.303 179.902 177.584 0.025 0.000 1.164 1079 A CA 1.401 53.459 52.037 0.036 0.000 0.644 1079 A CB -0.531 18.490 19.000 0.034 0.000 0.805 1079 A HN 0.357 nan 8.150 nan 0.000 0.449 1080 R N -1.719 118.793 120.500 0.019 0.000 2.275 1080 R HA 0.179 4.656 4.340 0.228 0.000 0.199 1080 R C 1.390 177.701 176.300 0.018 0.000 0.989 1080 R CA 0.574 56.682 56.100 0.012 0.000 1.016 1080 R CB -0.077 30.224 30.300 0.002 0.000 0.918 1080 R HN 0.683 nan 8.270 nan 0.000 0.473 1081 G N 0.894 109.710 108.800 0.027 0.000 2.176 1081 G HA2 -0.317 3.780 3.960 0.228 0.000 0.253 1081 G HA3 -0.317 3.780 3.960 0.228 0.000 0.253 1081 G C 0.607 175.532 174.900 0.042 0.000 0.979 1081 G CA 0.463 45.585 45.100 0.036 0.000 0.641 1081 G HN 0.426 nan 8.290 nan 0.000 0.530 1082 E N -0.327 119.890 120.200 0.027 0.000 2.150 1082 E HA 0.148 4.635 4.350 0.228 0.000 0.193 1082 E C 1.567 178.196 176.600 0.049 0.000 0.985 1082 E CA 1.304 57.720 56.400 0.026 0.000 0.814 1082 E CB 0.052 29.743 29.700 -0.016 0.000 0.752 1082 E HN 0.924 nan 8.360 nan 0.000 0.466 1083 I N -4.416 116.173 120.570 0.031 0.000 3.191 1083 I HA 0.538 4.845 4.170 0.228 0.000 0.313 1083 I C -0.833 175.342 176.117 0.097 0.000 1.193 1083 I CA -1.102 60.232 61.300 0.058 0.000 0.968 1083 I CB 2.451 40.357 38.000 -0.156 0.000 1.262 1083 I HN -0.286 nan 8.210 nan 0.000 0.456 1084 S N 1.514 117.304 115.700 0.149 0.000 2.569 1084 S HA 0.517 5.124 4.470 0.228 0.000 0.280 1084 S C 0.264 174.953 174.600 0.149 0.000 1.111 1084 S CA -0.647 57.633 58.200 0.134 0.000 0.887 1084 S CB 1.741 65.018 63.200 0.129 0.000 1.095 1084 S HN 0.656 nan 8.310 nan 0.000 0.476 1085 L N 2.457 123.750 121.223 0.117 0.000 2.201 1085 L HA 0.114 4.590 4.340 0.228 0.000 0.212 1085 L C 1.281 178.216 176.870 0.109 0.000 1.105 1085 L CA 1.686 56.582 54.840 0.092 0.000 0.775 1085 L CB -1.092 40.978 42.059 0.018 0.000 0.913 1085 L HN 0.671 nan 8.230 nan 0.000 0.440 1086 D N -0.803 119.663 120.400 0.111 0.000 2.349 1086 D HA -0.014 4.763 4.640 0.228 0.000 0.224 1086 D C 0.265 176.644 176.300 0.130 0.000 1.029 1086 D CA 0.156 54.222 54.000 0.110 0.000 0.879 1086 D CB 0.005 40.858 40.800 0.088 0.000 0.906 1086 D HN 0.223 nan 8.370 nan 0.000 0.528 1087 D N 0.638 121.139 120.400 0.168 0.000 2.382 1087 D HA 0.280 5.057 4.640 0.228 0.000 0.245 1087 D C 0.329 176.747 176.300 0.196 0.000 1.120 1087 D CA -0.049 54.063 54.000 0.186 0.000 0.890 1087 D CB 0.916 41.904 40.800 0.314 0.000 1.201 1087 D HN -0.002 nan 8.370 nan 0.000 0.433 1088 A N 2.029 124.930 122.820 0.135 0.000 2.462 1088 A HA 0.137 4.594 4.320 0.228 0.000 0.243 1088 A C 1.508 179.202 177.584 0.184 0.000 1.076 1088 A CA -0.523 51.603 52.037 0.148 0.000 0.773 1088 A CB 0.479 19.538 19.000 0.099 0.000 1.010 1088 A HN 0.462 nan 8.150 nan 0.000 0.493 1089 V N 2.283 122.343 119.914 0.243 0.000 2.490 1089 V HA -0.231 4.026 4.120 0.228 0.000 0.250 1089 V C 2.748 178.947 176.094 0.175 0.000 1.061 1089 V CA 2.645 65.103 62.300 0.264 0.000 1.064 1089 V CB -1.267 30.730 31.823 0.290 0.000 0.670 1089 V HN 1.111 nan 8.190 nan 0.000 0.461 1090 T N -1.366 113.253 114.554 0.109 0.000 3.025 1090 T HA -0.238 4.249 4.350 0.228 0.000 0.270 1090 T C 1.853 176.535 174.700 -0.029 0.000 1.126 1090 T CA 1.302 63.421 62.100 0.032 0.000 1.105 1090 T CB -0.444 68.439 68.868 0.026 0.000 0.884 1090 T HN 0.480 nan 8.240 nan 0.000 0.522 1091 R N -0.193 120.235 120.500 -0.120 0.000 2.115 1091 R HA -0.053 4.424 4.340 0.228 0.000 0.230 1091 R C 1.201 177.203 176.300 -0.496 0.000 1.111 1091 R CA 1.227 57.106 56.100 -0.369 0.000 0.976 1091 R CB -0.188 29.748 30.300 -0.607 0.000 0.870 1091 R HN 0.552 nan 8.270 nan 0.000 0.445 1092 Y N -3.083 117.253 120.300 0.060 0.000 2.458 1092 Y HA 0.147 4.794 4.550 0.161 0.000 0.254 1092 Y C -0.046 175.925 175.900 0.119 0.000 1.120 1092 Y CA -0.383 57.745 58.100 0.047 0.000 1.282 1092 Y CB 0.601 39.058 38.460 -0.005 0.000 1.109 1092 Y HN 0.096 nan 8.280 nan 0.000 0.526 1093 W N 2.093 123.387 121.300 -0.011 0.000 2.073 1093 W HA 0.411 5.160 4.660 0.149 0.000 0.295 1093 W C -2.596 173.862 176.519 -0.102 0.000 1.005 1093 W CA -3.533 53.769 57.345 -0.073 0.000 1.451 1093 W CB 0.950 30.324 29.460 -0.143 0.000 1.515 1093 W HN -0.140 nan 8.180 nan 0.000 0.341 1094 P HA -0.206 nan 4.420 nan 0.000 0.221 1094 P C 1.239 178.436 177.300 -0.173 0.000 1.145 1094 P CA 1.755 64.820 63.100 -0.059 0.000 0.795 1094 P CB 0.469 32.157 31.700 -0.020 0.000 0.775 1095 Q N -0.984 118.630 119.800 -0.310 0.000 2.436 1095 Q HA 0.022 4.499 4.340 0.228 0.000 0.209 1095 Q C 0.736 176.424 176.000 -0.521 0.000 0.965 1095 Q CA 0.489 56.052 55.803 -0.400 0.000 0.910 1095 Q CB -0.613 27.855 28.738 -0.451 0.000 0.980 1095 Q HN 0.296 nan 8.270 nan 0.000 0.491 1096 L N 2.118 122.955 121.223 -0.644 0.000 2.382 1096 L HA 0.053 4.530 4.340 0.228 0.000 0.259 1096 L C 0.839 177.541 176.870 -0.279 0.000 1.291 1096 L CA 0.008 54.471 54.840 -0.628 0.000 1.176 1096 L CB -0.109 41.421 42.059 -0.881 0.000 1.373 1096 L HN 0.311 nan 8.230 nan 0.000 0.426 1097 T N -2.578 111.874 114.554 -0.169 0.000 3.088 1097 T HA 0.029 4.516 4.350 0.228 0.000 0.259 1097 T C 1.142 175.875 174.700 0.055 0.000 1.122 1097 T CA 0.125 62.198 62.100 -0.044 0.000 1.095 1097 T CB 0.005 68.842 68.868 -0.051 0.000 0.930 1097 T HN 0.479 nan 8.240 nan 0.000 0.508 1098 G N 1.451 110.330 108.800 0.131 0.000 2.368 1098 G HA2 0.105 4.202 3.960 0.228 0.000 0.233 1098 G HA3 0.105 4.202 3.960 0.228 0.000 0.233 1098 G C 0.658 175.683 174.900 0.207 0.000 1.267 1098 G CA -0.511 44.719 45.100 0.217 0.000 0.873 1098 G HN 0.410 nan 8.290 nan 0.000 0.539 1099 K N 1.076 121.536 120.400 0.102 0.000 2.209 1099 K HA -0.142 4.314 4.320 0.228 0.000 0.204 1099 K C 2.548 179.174 176.600 0.044 0.000 1.048 1099 K CA 1.305 57.630 56.287 0.064 0.000 0.940 1099 K CB 0.054 32.564 32.500 0.017 0.000 0.729 1099 K HN 0.760 nan 8.250 nan 0.000 0.451 1100 Q N -0.014 119.783 119.800 -0.004 0.000 2.364 1100 Q HA -0.164 4.313 4.340 0.228 0.000 0.207 1100 Q C 1.043 176.941 176.000 -0.171 0.000 0.970 1100 Q CA 1.183 56.891 55.803 -0.158 0.000 0.888 1100 Q CB -0.308 28.218 28.738 -0.353 0.000 0.951 1100 Q HN 0.460 nan 8.270 nan 0.000 0.469 1101 W N 1.926 123.284 121.300 0.097 0.000 3.047 1101 W HA 0.154 4.908 4.660 0.157 0.000 0.250 1101 W C 0.438 177.018 176.519 0.102 0.000 1.314 1101 W CA -0.337 57.091 57.345 0.138 0.000 1.540 1101 W CB 0.460 29.988 29.460 0.114 0.000 1.127 1101 W HN 0.105 nan 8.180 nan 0.000 0.679 1102 Q N 0.447 120.374 119.800 0.211 0.000 2.297 1102 Q HA 0.354 4.831 4.340 0.228 0.000 0.267 1102 Q C 1.083 177.156 176.000 0.120 0.000 1.006 1102 Q CA 0.975 56.870 55.803 0.152 0.000 0.896 1102 Q CB 0.873 29.671 28.738 0.099 0.000 1.186 1102 Q HN 0.314 nan 8.270 nan 0.000 0.392 1103 G N 2.858 111.738 108.800 0.133 0.000 2.179 1103 G HA2 -0.231 3.865 3.960 0.228 0.000 0.220 1103 G HA3 -0.231 3.865 3.960 0.228 0.000 0.220 1103 G C 0.087 175.073 174.900 0.144 0.000 0.990 1103 G CA -0.615 44.556 45.100 0.118 0.000 0.646 1103 G HN 0.568 nan 8.290 nan 0.000 0.517 1104 I N 1.760 122.443 120.570 0.189 0.000 2.315 1104 I HA 0.442 4.749 4.170 0.228 0.000 0.291 1104 I C 0.954 177.220 176.117 0.249 0.000 1.006 1104 I CA -0.709 60.722 61.300 0.218 0.000 1.265 1104 I CB 0.990 39.141 38.000 0.250 0.000 1.387 1104 I HN 0.064 nan 8.210 nan 0.000 0.475 1105 R N 4.700 125.330 120.500 0.216 0.000 2.608 1105 R HA 0.428 4.905 4.340 0.228 0.000 0.255 1105 R C 0.876 177.306 176.300 0.217 0.000 1.086 1105 R CA -0.944 55.280 56.100 0.207 0.000 1.125 1105 R CB 0.841 31.244 30.300 0.173 0.000 1.193 1105 R HN 0.501 nan 8.270 nan 0.000 0.553 1106 M N 0.796 120.531 119.600 0.225 0.000 2.159 1106 M HA -0.116 4.500 4.480 0.228 0.000 0.263 1106 M C 2.050 178.413 176.300 0.105 0.000 1.063 1106 M CA 1.414 56.866 55.300 0.254 0.000 1.110 1106 M CB -0.930 31.854 32.600 0.307 0.000 1.374 1106 M HN 0.542 nan 8.290 nan 0.000 0.411 1107 L N 1.219 122.472 121.223 0.050 0.000 2.012 1107 L HA -0.220 4.256 4.340 0.228 0.000 0.210 1107 L C 1.845 178.706 176.870 -0.015 0.000 1.073 1107 L CA 2.057 56.858 54.840 -0.066 0.000 0.748 1107 L CB -0.973 41.089 42.059 0.006 0.000 0.891 1107 L HN 0.244 nan 8.230 nan 0.000 0.431 1108 D N -0.369 120.096 120.400 0.109 0.000 2.123 1108 D HA -0.226 4.551 4.640 0.228 0.000 0.196 1108 D C 2.335 178.646 176.300 0.018 0.000 0.992 1108 D CA 1.839 55.905 54.000 0.111 0.000 0.833 1108 D CB -0.203 40.689 40.800 0.153 0.000 0.954 1108 D HN 0.417 nan 8.370 nan 0.000 0.455 1109 L N 0.745 121.989 121.223 0.035 0.000 2.017 1109 L HA -0.148 4.329 4.340 0.228 0.000 0.208 1109 L C 2.655 179.404 176.870 -0.202 0.000 1.073 1109 L CA 1.115 55.967 54.840 0.021 0.000 0.745 1109 L CB -0.465 41.694 42.059 0.166 0.000 0.894 1109 L HN -0.021 nan 8.230 nan 0.000 0.432 1110 A N -0.141 122.388 122.820 -0.484 0.000 1.933 1110 A HA -0.183 4.274 4.320 0.228 0.000 0.218 1110 A C 2.113 179.241 177.584 -0.761 0.000 1.175 1110 A CA 2.175 53.657 52.037 -0.925 0.000 0.628 1110 A CB -0.727 17.382 19.000 -1.485 0.000 0.814 1110 A HN 0.523 nan 8.150 nan 0.000 0.444 1111 T N -6.104 108.137 114.554 -0.522 0.000 3.134 1111 T HA 0.327 4.813 4.350 0.228 0.000 0.260 1111 T C 0.278 174.768 174.700 -0.349 0.000 1.027 1111 T CA 0.287 62.125 62.100 -0.436 0.000 0.913 1111 T CB -0.759 68.162 68.868 0.087 0.000 1.046 1111 T HN 0.723 nan 8.240 nan 0.000 0.553 1112 Y N 0.719 120.991 120.300 -0.046 0.000 4.272 1112 Y HA -0.276 4.414 4.550 0.232 0.000 0.232 1112 Y C 1.234 177.083 175.900 -0.086 0.000 1.149 1112 Y CA 0.533 58.604 58.100 -0.049 0.000 1.961 1112 Y CB -2.987 35.459 38.460 -0.024 0.000 1.611 1112 Y HN 0.584 nan 8.280 nan 0.000 0.682 1113 T N -3.996 110.538 114.554 -0.034 0.000 3.176 1113 T HA 0.647 5.133 4.350 0.228 0.000 0.263 1113 T C 1.467 176.172 174.700 0.008 0.000 1.021 1113 T CA 0.164 62.183 62.100 -0.134 0.000 0.905 1113 T CB 0.714 69.299 68.868 -0.471 0.000 1.057 1113 T HN 0.501 nan 8.240 nan 0.000 0.558 1114 A N 1.470 124.339 122.820 0.081 0.000 2.070 1114 A HA 0.505 4.962 4.320 0.228 0.000 0.220 1114 A C 1.951 179.687 177.584 0.254 0.000 1.159 1114 A CA 0.840 52.953 52.037 0.126 0.000 0.656 1114 A CB -0.883 18.139 19.000 0.037 0.000 0.800 1114 A HN 1.489 nan 8.150 nan 0.000 0.453 1115 G N -3.484 105.505 108.800 0.316 0.000 2.188 1115 G HA2 0.413 4.510 3.960 0.228 0.000 0.112 1115 G HA3 0.413 4.510 3.960 0.228 0.000 0.112 1115 G C 0.989 176.258 174.900 0.616 0.000 1.048 1115 G CA 0.376 45.745 45.100 0.450 0.000 0.720 1115 G HN 1.995 nan 8.290 nan 0.000 0.487 1116 G N -0.818 108.341 108.800 0.599 0.000 2.145 1116 G HA2 -0.088 4.009 3.960 0.228 0.000 0.176 1116 G HA3 -0.088 4.009 3.960 0.228 0.000 0.176 1116 G C 0.373 175.567 174.900 0.490 0.000 1.013 1116 G CA -0.027 45.418 45.100 0.574 0.000 0.689 1116 G HN 1.187 nan 8.290 nan 0.000 0.506 1117 L N 2.038 123.387 121.223 0.210 0.000 2.453 1117 L HA 0.275 4.752 4.340 0.228 0.000 0.272 1117 L C -0.799 176.137 176.870 0.110 0.000 1.182 1117 L CA -1.465 53.292 54.840 -0.138 0.000 0.858 1117 L CB 0.414 42.299 42.059 -0.290 0.000 1.120 1117 L HN 0.086 nan 8.230 nan 0.000 0.474 1118 P HA -0.085 nan 4.420 nan 0.000 0.268 1118 P C 0.863 178.242 177.300 0.131 0.000 1.208 1118 P CA -0.116 63.094 63.100 0.184 0.000 0.777 1118 P CB 1.075 32.919 31.700 0.241 0.000 0.875 1119 L N 0.144 121.432 121.223 0.109 0.000 1.990 1119 L HA -0.163 4.313 4.340 0.228 0.000 0.213 1119 L C 1.069 177.974 176.870 0.058 0.000 1.072 1119 L CA 1.940 56.828 54.840 0.079 0.000 0.755 1119 L CB -0.106 42.007 42.059 0.090 0.000 0.889 1119 L HN 0.473 nan 8.230 nan 0.000 0.432 1120 Q N -0.682 119.146 119.800 0.046 0.000 2.348 1120 Q HA 0.338 4.815 4.340 0.228 0.000 0.271 1120 Q C -0.708 175.263 176.000 -0.049 0.000 1.067 1120 Q CA -0.642 55.168 55.803 0.012 0.000 0.839 1120 Q CB 2.350 31.080 28.738 -0.013 0.000 1.354 1120 Q HN -0.087 nan 8.270 nan 0.000 0.447 1121 V N 3.107 122.965 119.914 -0.092 0.000 2.530 1121 V HA 0.174 4.431 4.120 0.228 0.000 0.282 1121 V C -1.973 173.939 176.094 -0.303 0.000 1.048 1121 V CA -1.271 60.842 62.300 -0.313 0.000 0.997 1121 V CB 0.569 32.264 31.823 -0.213 0.000 0.987 1121 V HN 0.606 nan 8.190 nan 0.000 0.477 1122 P HA 0.031 nan 4.420 nan 0.000 0.265 1122 P C 0.351 177.548 177.300 -0.171 0.000 1.187 1122 P CA 0.038 62.980 63.100 -0.262 0.000 0.766 1122 P CB 0.488 32.014 31.700 -0.291 0.000 0.820 1123 D N 1.310 121.655 120.400 -0.092 0.000 2.264 1123 D HA -0.153 4.623 4.640 0.228 0.000 0.208 1123 D C 1.591 177.863 176.300 -0.047 0.000 0.966 1123 D CA 0.924 54.891 54.000 -0.055 0.000 0.864 1123 D CB -0.098 40.685 40.800 -0.030 0.000 0.933 1123 D HN 0.634 nan 8.370 nan 0.000 0.499 1124 E N 0.346 120.515 120.200 -0.052 0.000 2.347 1124 E HA -0.086 4.401 4.350 0.228 0.000 0.196 1124 E C 0.150 176.730 176.600 -0.034 0.000 1.008 1124 E CA 0.343 56.725 56.400 -0.030 0.000 0.852 1124 E CB 0.228 29.919 29.700 -0.015 0.000 0.783 1124 E HN -0.062 nan 8.360 nan 0.000 0.505 1125 V N 2.845 122.715 119.914 -0.074 0.000 2.405 1125 V HA 0.049 4.305 4.120 0.228 0.000 0.264 1125 V C 1.057 177.129 176.094 -0.037 0.000 1.048 1125 V CA 0.788 63.049 62.300 -0.066 0.000 0.966 1125 V CB 0.843 32.571 31.823 -0.158 0.000 1.015 1125 V HN 0.430 nan 8.190 nan 0.000 0.477 1126 T N -0.735 113.815 114.554 -0.008 0.000 3.016 1126 T HA 0.240 4.727 4.350 0.228 0.000 0.271 1126 T C 0.074 174.780 174.700 0.010 0.000 0.968 1126 T CA 0.187 62.286 62.100 -0.001 0.000 0.891 1126 T CB 0.281 69.150 68.868 0.003 0.000 1.149 1126 T HN 0.680 nan 8.240 nan 0.000 0.524 1127 D N -0.315 120.101 120.400 0.025 0.000 2.664 1127 D HA 0.256 5.033 4.640 0.228 0.000 0.292 1127 D C 0.727 177.069 176.300 0.069 0.000 1.214 1127 D CA -0.891 53.132 54.000 0.038 0.000 0.932 1127 D CB 0.291 41.113 40.800 0.036 0.000 1.420 1127 D HN -0.133 nan 8.370 nan 0.000 0.471 1128 N N -0.180 118.567 118.700 0.078 0.000 2.069 1128 N HA -0.234 4.642 4.740 0.228 0.000 0.191 1128 N C 1.681 177.289 175.510 0.164 0.000 1.031 1128 N CA 1.802 54.929 53.050 0.128 0.000 0.852 1128 N CB -0.219 38.334 38.487 0.110 0.000 1.018 1128 N HN 0.523 nan 8.380 nan 0.000 0.423 1129 A N 0.667 123.556 122.820 0.116 0.000 1.908 1129 A HA -0.154 4.302 4.320 0.228 0.000 0.218 1129 A C 2.454 180.109 177.584 0.118 0.000 1.181 1129 A CA 2.357 54.458 52.037 0.106 0.000 0.627 1129 A CB -0.876 18.167 19.000 0.071 0.000 0.818 1129 A HN 0.637 nan 8.150 nan 0.000 0.445 1130 S N -0.584 115.181 115.700 0.109 0.000 2.406 1130 S HA -0.064 4.543 4.470 0.228 0.000 0.228 1130 S C 1.825 176.527 174.600 0.170 0.000 1.020 1130 S CA 1.157 59.425 58.200 0.112 0.000 0.965 1130 S CB -0.568 62.674 63.200 0.070 0.000 0.798 1130 S HN 0.386 nan 8.310 nan 0.000 0.488 1131 L N 1.102 122.445 121.223 0.200 0.000 2.017 1131 L HA 0.085 4.562 4.340 0.228 0.000 0.208 1131 L C 2.303 179.461 176.870 0.480 0.000 1.073 1131 L CA 1.510 56.534 54.840 0.307 0.000 0.745 1131 L CB -0.816 41.432 42.059 0.314 0.000 0.894 1131 L HN 0.389 nan 8.230 nan 0.000 0.432 1132 L N -0.200 121.280 121.223 0.428 0.000 2.017 1132 L HA -0.203 4.274 4.340 0.228 0.000 0.208 1132 L C 2.745 179.707 176.870 0.153 0.000 1.073 1132 L CA 2.086 57.086 54.840 0.267 0.000 0.745 1132 L CB -0.754 41.362 42.059 0.094 0.000 0.894 1132 L HN 0.367 nan 8.230 nan 0.000 0.432 1133 R N -1.211 119.380 120.500 0.151 0.000 2.083 1133 R HA -0.272 4.204 4.340 0.228 0.000 0.237 1133 R C 2.415 178.815 176.300 0.167 0.000 1.137 1133 R CA 2.147 58.321 56.100 0.124 0.000 0.951 1133 R CB -0.766 29.602 30.300 0.113 0.000 0.851 1133 R HN 0.476 nan 8.270 nan 0.000 0.434 1134 F N 0.165 120.144 119.950 0.048 0.000 2.091 1134 F HA -0.297 4.369 4.527 0.232 0.000 0.299 1134 F C 1.491 177.318 175.800 0.046 0.000 1.103 1134 F CA 1.668 59.660 58.000 -0.014 0.000 1.228 1134 F CB -0.343 38.565 39.000 -0.155 0.000 0.984 1134 F HN 0.051 nan 8.300 nan 0.000 0.477 1135 Y N 0.678 120.970 120.300 -0.014 0.000 2.242 1135 Y HA -0.178 4.536 4.550 0.273 0.000 0.291 1135 Y C 2.609 178.662 175.900 0.254 0.000 1.137 1135 Y CA 1.431 59.541 58.100 0.018 0.000 1.181 1135 Y CB -0.881 37.614 38.460 0.057 0.000 0.989 1135 Y HN 0.175 nan 8.280 nan 0.000 0.527 1136 Q N -0.060 119.879 119.800 0.232 0.000 2.167 1136 Q HA -0.154 4.323 4.340 0.228 0.000 0.202 1136 Q C 1.159 177.284 176.000 0.209 0.000 0.970 1136 Q CA 1.359 57.282 55.803 0.200 0.000 0.855 1136 Q CB -0.467 28.299 28.738 0.047 0.000 0.911 1136 Q HN 0.668 nan 8.270 nan 0.000 0.438 1137 N N -0.669 118.118 118.700 0.145 0.000 2.336 1137 N HA -0.030 4.846 4.740 0.228 0.000 0.189 1137 N C -0.221 175.339 175.510 0.083 0.000 1.113 1137 N CA -0.447 52.658 53.050 0.091 0.000 0.858 1137 N CB 0.180 38.711 38.487 0.074 0.000 0.970 1137 N HN 0.158 nan 8.380 nan 0.000 0.471 1138 W N 2.853 124.102 121.300 -0.086 0.000 2.308 1138 W HA 0.101 4.888 4.660 0.212 0.000 0.324 1138 W C -0.077 176.371 176.519 -0.118 0.000 1.387 1138 W CA -0.285 56.968 57.345 -0.153 0.000 1.250 1138 W CB 0.350 29.685 29.460 -0.207 0.000 1.257 1138 W HN -0.081 nan 8.180 nan 0.000 0.554 1139 Q N 8.085 127.424 119.800 -0.768 0.000 2.347 1139 Q HA 0.424 4.900 4.340 0.228 0.000 0.262 1139 Q C -2.300 172.951 176.000 -1.248 0.000 0.980 1139 Q CA -2.208 53.081 55.803 -0.857 0.000 0.867 1139 Q CB 1.312 29.794 28.738 -0.427 0.000 1.242 1139 Q HN 0.210 nan 8.270 nan 0.000 0.453 1140 P HA 0.021 nan 4.420 nan 0.000 0.268 1140 P C -0.497 176.452 177.300 -0.585 0.000 1.205 1140 P CA 0.143 62.614 63.100 -1.048 0.000 0.771 1140 P CB 0.873 32.051 31.700 -0.870 0.000 0.858 1141 Q N 0.736 120.224 119.800 -0.519 0.000 2.339 1141 Q HA 0.077 4.554 4.340 0.228 0.000 0.205 1141 Q C -0.047 175.385 176.000 -0.946 0.000 0.925 1141 Q CA 0.795 56.074 55.803 -0.873 0.000 0.898 1141 Q CB 0.294 28.160 28.738 -1.453 0.000 1.013 1141 Q HN 0.560 nan 8.270 nan 0.000 0.504 1142 W N 1.001 122.271 121.300 -0.050 0.000 2.975 1142 W HA 0.417 5.209 4.660 0.221 0.000 0.342 1142 W C -0.381 176.110 176.519 -0.047 0.000 1.168 1142 W CA -0.999 56.323 57.345 -0.039 0.000 1.141 1142 W CB 0.853 30.304 29.460 -0.015 0.000 1.445 1142 W HN -0.216 nan 8.180 nan 0.000 0.560 1143 K N 2.097 122.618 120.400 0.201 0.000 2.258 1143 K HA 0.171 4.628 4.320 0.228 0.000 0.264 1143 K C -2.003 174.671 176.600 0.124 0.000 1.007 1143 K CA -1.185 55.165 56.287 0.104 0.000 0.941 1143 K CB -0.144 32.404 32.500 0.080 0.000 0.966 1143 K HN -0.035 nan 8.250 nan 0.000 0.480 1144 P HA -0.058 nan 4.420 nan 0.000 0.269 1144 P C 0.377 177.733 177.300 0.093 0.000 1.209 1144 P CA 0.362 63.525 63.100 0.104 0.000 0.776 1144 P CB 0.480 32.246 31.700 0.110 0.000 0.876 1145 G N 1.974 110.801 108.800 0.045 0.000 2.198 1145 G HA2 -0.265 3.832 3.960 0.228 0.000 0.260 1145 G HA3 -0.265 3.832 3.960 0.228 0.000 0.260 1145 G C 0.576 175.430 174.900 -0.077 0.000 1.025 1145 G CA 0.751 45.861 45.100 0.016 0.000 0.769 1145 G HN 0.797 nan 8.290 nan 0.000 0.507 1146 T N -4.907 109.575 114.554 -0.120 0.000 2.980 1146 T HA 0.464 4.951 4.350 0.228 0.000 0.252 1146 T C 0.641 175.199 174.700 -0.236 0.000 0.962 1146 T CA 1.263 63.296 62.100 -0.112 0.000 0.932 1146 T CB 1.131 69.987 68.868 -0.019 0.000 1.188 1146 T HN 0.603 nan 8.240 nan 0.000 0.500 1147 T N 1.778 116.159 114.554 -0.288 0.000 2.916 1147 T HA 0.578 5.065 4.350 0.228 0.000 0.298 1147 T C -1.318 173.186 174.700 -0.327 0.000 1.031 1147 T CA -0.763 61.091 62.100 -0.411 0.000 0.993 1147 T CB 2.810 71.222 68.868 -0.760 0.000 1.045 1147 T HN 0.303 nan 8.240 nan 0.000 0.454 1148 R N 2.541 122.860 120.500 -0.303 0.000 2.294 1148 R HA 0.687 5.164 4.340 0.228 0.000 0.319 1148 R C -1.565 174.677 176.300 -0.097 0.000 0.984 1148 R CA -0.783 55.220 56.100 -0.162 0.000 0.861 1148 R CB 0.499 30.725 30.300 -0.123 0.000 1.104 1148 R HN 0.448 nan 8.270 nan 0.000 0.451 1149 L N 5.868 127.101 121.223 0.017 0.000 2.471 1149 L HA 0.259 4.735 4.340 0.228 0.000 0.263 1149 L C -1.439 175.442 176.870 0.018 0.000 0.985 1149 L CA -0.679 54.191 54.840 0.049 0.000 0.868 1149 L CB 1.031 43.187 42.059 0.161 0.000 1.203 1149 L HN 0.647 nan 8.230 nan 0.000 0.429 1150 Y N 4.683 124.817 120.300 -0.276 0.000 2.881 1150 Y HA 0.328 5.018 4.550 0.234 0.000 0.335 1150 Y C 0.104 175.817 175.900 -0.312 0.000 1.263 1150 Y CA 1.083 58.804 58.100 -0.632 0.000 1.572 1150 Y CB 0.375 38.556 38.460 -0.465 0.000 1.237 1150 Y HN 0.820 nan 8.280 nan 0.000 0.568 1151 A N 5.671 128.106 122.820 -0.642 0.000 2.513 1151 A HA 0.297 4.753 4.320 0.228 0.000 0.296 1151 A C -0.177 177.336 177.584 -0.119 0.000 1.052 1151 A CA -0.906 51.010 52.037 -0.202 0.000 0.714 1151 A CB 0.891 19.913 19.000 0.037 0.000 1.279 1151 A HN 0.777 nan 8.150 nan 0.000 0.397 1152 N N 1.365 120.028 118.700 -0.062 0.000 2.270 1152 N HA -0.090 4.787 4.740 0.228 0.000 0.181 1152 N C 1.785 177.360 175.510 0.108 0.000 1.016 1152 N CA 1.526 54.601 53.050 0.042 0.000 0.870 1152 N CB -0.112 38.450 38.487 0.124 0.000 0.979 1152 N HN 0.824 nan 8.380 nan 0.000 0.431 1153 A N -0.127 122.775 122.820 0.136 0.000 2.121 1153 A HA -0.024 4.433 4.320 0.228 0.000 0.218 1153 A C 2.407 180.156 177.584 0.275 0.000 1.154 1153 A CA 1.326 53.510 52.037 0.244 0.000 0.679 1153 A CB -0.302 18.871 19.000 0.288 0.000 0.795 1153 A HN 0.276 nan 8.150 nan 0.000 0.458 1154 S N -0.705 115.105 115.700 0.184 0.000 2.324 1154 S HA 0.061 4.667 4.470 0.228 0.000 0.210 1154 S C 1.837 176.510 174.600 0.122 0.000 1.027 1154 S CA 0.801 59.096 58.200 0.158 0.000 0.945 1154 S CB -0.368 62.943 63.200 0.185 0.000 0.908 1154 S HN 0.495 nan 8.310 nan 0.000 0.496 1155 I N 1.343 121.974 120.570 0.102 0.000 2.614 1155 I HA 0.008 4.315 4.170 0.228 0.000 0.258 1155 I C 2.036 178.225 176.117 0.119 0.000 1.189 1155 I CA 1.041 62.382 61.300 0.068 0.000 1.462 1155 I CB -0.537 37.471 38.000 0.013 0.000 1.092 1155 I HN 0.490 nan 8.210 nan 0.000 0.442 1156 G N 0.888 109.736 108.800 0.081 0.000 2.421 1156 G HA2 -0.243 3.854 3.960 0.228 0.000 0.216 1156 G HA3 -0.243 3.854 3.960 0.228 0.000 0.216 1156 G C 1.630 176.505 174.900 -0.041 0.000 1.171 1156 G CA 0.534 45.635 45.100 0.002 0.000 0.775 1156 G HN 0.400 nan 8.290 nan 0.000 0.543 1157 L N -0.614 120.619 121.223 0.016 0.000 2.093 1157 L HA 0.053 4.530 4.340 0.228 0.000 0.208 1157 L C 2.568 179.382 176.870 -0.094 0.000 1.085 1157 L CA 1.100 55.879 54.840 -0.102 0.000 0.755 1157 L CB -0.278 41.678 42.059 -0.171 0.000 0.904 1157 L HN 0.289 nan 8.230 nan 0.000 0.435 1158 F N 0.632 120.514 119.950 -0.114 0.000 2.095 1158 F HA -0.171 4.476 4.527 0.199 0.000 0.298 1158 F C 2.144 177.879 175.800 -0.108 0.000 1.104 1158 F CA 1.832 59.770 58.000 -0.104 0.000 1.232 1158 F CB -0.801 38.147 39.000 -0.087 0.000 0.987 1158 F HN 0.026 nan 8.300 nan 0.000 0.475 1159 G N -0.361 108.336 108.800 -0.172 0.000 2.418 1159 G HA2 -0.201 3.896 3.960 0.228 0.000 0.217 1159 G HA3 -0.201 3.896 3.960 0.228 0.000 0.217 1159 G C 1.819 176.580 174.900 -0.231 0.000 1.158 1159 G CA 0.852 45.827 45.100 -0.208 0.000 0.771 1159 G HN 0.654 nan 8.290 nan 0.000 0.545 1160 A N 0.367 122.999 122.820 -0.313 0.000 1.933 1160 A HA 0.129 4.586 4.320 0.228 0.000 0.218 1160 A C 2.385 179.794 177.584 -0.291 0.000 1.175 1160 A CA 1.184 53.040 52.037 -0.301 0.000 0.628 1160 A CB -0.294 18.494 19.000 -0.354 0.000 0.814 1160 A HN 0.363 nan 8.150 nan 0.000 0.444 1161 L N -1.337 119.676 121.223 -0.350 0.000 2.270 1161 L HA -0.009 4.467 4.340 0.228 0.000 0.210 1161 L C 2.940 179.538 176.870 -0.453 0.000 1.104 1161 L CA 0.724 55.354 54.840 -0.349 0.000 0.804 1161 L CB -0.489 41.406 42.059 -0.274 0.000 0.937 1161 L HN 0.418 nan 8.230 nan 0.000 0.450 1162 A N 0.397 122.874 122.820 -0.572 0.000 2.019 1162 A HA -0.132 4.325 4.320 0.228 0.000 0.219 1162 A C 2.105 179.459 177.584 -0.383 0.000 1.164 1162 A CA 1.715 53.378 52.037 -0.624 0.000 0.644 1162 A CB -0.604 17.874 19.000 -0.870 0.000 0.805 1162 A HN 0.336 nan 8.150 nan 0.000 0.449 1163 V N -3.594 116.166 119.914 -0.256 0.000 3.623 1163 V HA 0.117 4.374 4.120 0.228 0.000 0.271 1163 V C 1.807 177.820 176.094 -0.135 0.000 1.248 1163 V CA 1.475 63.674 62.300 -0.168 0.000 1.156 1163 V CB -0.452 31.307 31.823 -0.106 0.000 0.870 1163 V HN 0.231 nan 8.190 nan 0.000 0.453 1164 K N 1.791 122.100 120.400 -0.151 0.000 2.044 1164 K HA -0.034 4.423 4.320 0.228 0.000 0.210 1164 K C -0.027 176.552 176.600 -0.036 0.000 1.049 1164 K CA 2.347 58.586 56.287 -0.080 0.000 0.927 1164 K CB -1.682 30.791 32.500 -0.046 0.000 0.713 1164 K HN 0.480 nan 8.250 nan 0.000 0.443 1165 P HA -0.120 nan 4.420 nan 0.000 0.222 1165 P C 0.950 178.239 177.300 -0.018 0.000 1.147 1165 P CA 1.298 64.402 63.100 0.007 0.000 0.790 1165 P CB 0.030 31.742 31.700 0.020 0.000 0.780 1166 S N -1.235 114.437 115.700 -0.048 0.000 2.423 1166 S HA 0.029 4.636 4.470 0.228 0.000 0.231 1166 S C 1.885 176.462 174.600 -0.039 0.000 1.014 1166 S CA 1.128 59.298 58.200 -0.049 0.000 0.965 1166 S CB -1.464 61.691 63.200 -0.074 0.000 0.785 1166 S HN 0.277 nan 8.310 nan 0.000 0.495 1167 G N 0.711 109.490 108.800 -0.035 0.000 2.179 1167 G HA2 -0.247 3.849 3.960 0.228 0.000 0.260 1167 G HA3 -0.247 3.849 3.960 0.228 0.000 0.260 1167 G C -0.005 174.874 174.900 -0.035 0.000 0.977 1167 G CA 0.578 45.661 45.100 -0.027 0.000 0.641 1167 G HN 0.560 nan 8.290 nan 0.000 0.533 1168 M N 0.349 119.920 119.600 -0.048 0.000 2.537 1168 M HA 0.469 5.086 4.480 0.228 0.000 0.324 1168 M C -2.448 173.820 176.300 -0.053 0.000 1.187 1168 M CA -2.041 53.227 55.300 -0.053 0.000 0.993 1168 M CB 1.543 34.102 32.600 -0.069 0.000 1.666 1168 M HN -0.133 nan 8.290 nan 0.000 0.461 1169 P HA 0.039 nan 4.420 nan 0.000 0.271 1169 P C -0.112 177.180 177.300 -0.015 0.000 1.218 1169 P CA -0.140 62.948 63.100 -0.019 0.000 0.780 1169 P CB 0.445 32.135 31.700 -0.017 0.000 0.901 1170 Y N 2.195 122.432 120.300 -0.105 0.000 2.069 1170 Y HA -0.321 4.363 4.550 0.225 0.000 0.278 1170 Y C 2.332 178.172 175.900 -0.100 0.000 1.175 1170 Y CA 2.326 60.358 58.100 -0.114 0.000 1.134 1170 Y CB -0.207 38.174 38.460 -0.130 0.000 0.965 1170 Y HN 0.494 nan 8.280 nan 0.000 0.498 1171 E N -0.440 119.782 120.200 0.037 0.000 2.153 1171 E HA -0.323 4.164 4.350 0.228 0.000 0.194 1171 E C 2.271 178.801 176.600 -0.118 0.000 0.988 1171 E CA 1.420 57.795 56.400 -0.042 0.000 0.811 1171 E CB -0.228 29.476 29.700 0.007 0.000 0.746 1171 E HN 0.719 nan 8.360 nan 0.000 0.466 1172 Q N -0.252 119.489 119.800 -0.100 0.000 2.096 1172 Q HA -0.097 4.380 4.340 0.228 0.000 0.197 1172 Q C 2.056 177.972 176.000 -0.140 0.000 0.964 1172 Q CA 1.145 56.889 55.803 -0.098 0.000 0.838 1172 Q CB -0.134 28.563 28.738 -0.068 0.000 0.906 1172 Q HN 0.318 nan 8.270 nan 0.000 0.444 1173 A N 0.775 123.482 122.820 -0.188 0.000 1.902 1173 A HA -0.219 4.238 4.320 0.228 0.000 0.217 1173 A C 2.021 179.456 177.584 -0.249 0.000 1.181 1173 A CA 1.684 53.594 52.037 -0.211 0.000 0.623 1173 A CB -0.613 18.236 19.000 -0.251 0.000 0.818 1173 A HN 0.556 nan 8.150 nan 0.000 0.443 1174 M N -0.134 119.249 119.600 -0.362 0.000 2.086 1174 M HA -0.093 4.523 4.480 0.228 0.000 0.261 1174 M C 1.993 178.173 176.300 -0.200 0.000 1.067 1174 M CA 2.556 57.660 55.300 -0.327 0.000 1.116 1174 M CB -0.981 31.364 32.600 -0.425 0.000 1.348 1174 M HN 0.327 nan 8.290 nan 0.000 0.407 1175 T N -0.103 114.344 114.554 -0.179 0.000 2.737 1175 T HA -0.111 4.376 4.350 0.228 0.000 0.265 1175 T C 1.713 176.347 174.700 -0.110 0.000 1.038 1175 T CA 2.226 64.240 62.100 -0.144 0.000 1.144 1175 T CB -0.768 68.031 68.868 -0.115 0.000 0.866 1175 T HN 0.712 nan 8.240 nan 0.000 0.434 1176 T N 0.405 114.900 114.554 -0.099 0.000 2.951 1176 T HA 0.055 4.542 4.350 0.228 0.000 0.268 1176 T C 1.938 176.601 174.700 -0.062 0.000 1.073 1176 T CA 0.587 62.642 62.100 -0.074 0.000 1.134 1176 T CB -0.104 68.724 68.868 -0.068 0.000 0.884 1176 T HN 0.297 nan 8.240 nan 0.000 0.479 1177 R N -0.190 120.268 120.500 -0.070 0.000 2.254 1177 R HA 0.367 4.844 4.340 0.228 0.000 0.193 1177 R C 1.675 177.969 176.300 -0.010 0.000 0.929 1177 R CA 0.266 56.340 56.100 -0.044 0.000 1.038 1177 R CB 0.420 30.685 30.300 -0.057 0.000 1.009 1177 R HN 0.301 nan 8.270 nan 0.000 0.512 1178 V N -0.008 119.898 119.914 -0.012 0.000 3.054 1178 V HA 0.013 4.270 4.120 0.228 0.000 0.227 1178 V C 1.910 178.036 176.094 0.053 0.000 1.252 1178 V CA 0.329 62.665 62.300 0.060 0.000 1.279 1178 V CB -0.111 31.773 31.823 0.101 0.000 1.118 1178 V HN 0.079 nan 8.190 nan 0.000 0.504 1179 L N 0.141 121.345 121.223 -0.032 0.000 1.994 1179 L HA -0.170 4.306 4.340 0.228 0.000 0.208 1179 L C 2.519 179.345 176.870 -0.075 0.000 1.071 1179 L CA 1.948 56.739 54.840 -0.082 0.000 0.745 1179 L CB -0.749 41.188 42.059 -0.202 0.000 0.892 1179 L HN 0.284 nan 8.230 nan 0.000 0.431 1180 K N -0.155 120.196 120.400 -0.082 0.000 2.026 1180 K HA -0.133 4.324 4.320 0.228 0.000 0.208 1180 K C -0.190 176.388 176.600 -0.036 0.000 1.048 1180 K CA 1.437 57.681 56.287 -0.071 0.000 0.929 1180 K CB -0.980 31.479 32.500 -0.069 0.000 0.713 1180 K HN 0.229 nan 8.250 nan 0.000 0.439 1181 P HA -0.136 nan 4.420 nan 0.000 0.219 1181 P C 0.674 177.982 177.300 0.013 0.000 1.146 1181 P CA 1.132 64.231 63.100 -0.001 0.000 0.808 1181 P CB 0.158 31.863 31.700 0.008 0.000 0.779 1182 L N -1.436 119.808 121.223 0.035 0.000 2.607 1182 L HA 0.167 4.644 4.340 0.228 0.000 0.228 1182 L C 0.367 177.258 176.870 0.034 0.000 1.123 1182 L CA 0.109 54.984 54.840 0.059 0.000 0.890 1182 L CB -0.464 41.684 42.059 0.149 0.000 1.103 1182 L HN -0.049 nan 8.230 nan 0.000 0.468 1183 K N 0.589 120.987 120.400 -0.003 0.000 3.117 1183 K HA -0.166 4.290 4.320 0.228 0.000 0.269 1183 K C -0.159 176.415 176.600 -0.043 0.000 1.098 1183 K CA 0.377 56.647 56.287 -0.028 0.000 0.785 1183 K CB -2.006 30.487 32.500 -0.012 0.000 1.242 1183 K HN 0.313 nan 8.250 nan 0.000 0.491 1184 L N 1.524 122.706 121.223 -0.069 0.000 2.466 1184 L HA 0.095 4.571 4.340 0.228 0.000 0.248 1184 L C 0.793 177.489 176.870 -0.290 0.000 1.240 1184 L CA -0.356 54.413 54.840 -0.119 0.000 1.180 1184 L CB 0.189 42.196 42.059 -0.086 0.000 1.413 1184 L HN 0.091 nan 8.230 nan 0.000 0.406 1185 D N -0.509 119.719 120.400 -0.286 0.000 2.363 1185 D HA -0.044 4.733 4.640 0.228 0.000 0.226 1185 D C 0.968 176.682 176.300 -0.976 0.000 1.020 1185 D CA 0.934 54.624 54.000 -0.517 0.000 0.892 1185 D CB 0.277 40.860 40.800 -0.361 0.000 0.900 1185 D HN 0.461 nan 8.370 nan 0.000 0.531 1186 H N -0.525 118.176 119.070 -0.615 0.000 2.637 1186 H HA 0.219 4.912 4.556 0.228 0.000 0.245 1186 H C -0.288 174.480 175.328 -0.934 0.000 1.190 1186 H CA -0.028 55.610 56.048 -0.684 0.000 0.934 1186 H CB 0.550 30.189 29.762 -0.205 0.000 1.950 1186 H HN -0.150 nan 8.280 nan 0.000 0.614 1187 T N 1.358 115.211 114.554 -1.168 0.000 2.792 1187 T HA 0.360 4.847 4.350 0.228 0.000 0.280 1187 T C -0.758 173.346 174.700 -0.993 0.000 0.990 1187 T CA -0.558 61.030 62.100 -0.854 0.000 0.960 1187 T CB 1.078 69.586 68.868 -0.600 0.000 0.939 1187 T HN 0.242 nan 8.240 nan 0.000 0.439 1188 W N 1.592 122.724 121.300 -0.280 0.000 3.083 1188 W HA 0.626 5.422 4.660 0.227 0.000 0.333 1188 W C 0.305 176.665 176.519 -0.266 0.000 1.217 1188 W CA -0.938 56.254 57.345 -0.255 0.000 1.170 1188 W CB 0.619 29.952 29.460 -0.211 0.000 1.437 1188 W HN 0.410 nan 8.180 nan 0.000 0.557 1189 I N 0.901 121.500 120.570 0.047 0.000 2.927 1189 I HA 0.064 4.371 4.170 0.228 0.000 0.268 1189 I C -0.125 175.979 176.117 -0.021 0.000 1.153 1189 I CA 0.480 61.759 61.300 -0.035 0.000 1.459 1189 I CB 0.029 38.008 38.000 -0.034 0.000 1.149 1189 I HN 0.392 nan 8.210 nan 0.000 0.443 1190 N N 0.474 119.178 118.700 0.007 0.000 2.524 1190 N HA 0.279 5.156 4.740 0.228 0.000 0.261 1190 N C -0.871 174.534 175.510 -0.174 0.000 0.998 1190 N CA -0.315 52.698 53.050 -0.062 0.000 0.915 1190 N CB 2.238 40.692 38.487 -0.055 0.000 1.187 1190 N HN -0.192 nan 8.380 nan 0.000 0.507 1191 V N 3.691 123.443 119.914 -0.268 0.000 2.450 1191 V HA 0.112 4.369 4.120 0.228 0.000 0.281 1191 V C -1.732 174.051 176.094 -0.518 0.000 1.019 1191 V CA -0.991 60.973 62.300 -0.561 0.000 1.062 1191 V CB -0.198 31.372 31.823 -0.422 0.000 0.979 1191 V HN 0.547 nan 8.190 nan 0.000 0.477 1192 P HA 0.155 nan 4.420 nan 0.000 0.269 1192 P C 0.905 178.008 177.300 -0.328 0.000 1.215 1192 P CA -0.477 62.321 63.100 -0.502 0.000 0.780 1192 P CB 0.636 31.956 31.700 -0.632 0.000 0.898 1193 K N 1.878 122.157 120.400 -0.203 0.000 2.113 1193 K HA -0.184 4.272 4.320 0.228 0.000 0.208 1193 K C 1.766 178.298 176.600 -0.114 0.000 1.047 1193 K CA 2.030 58.240 56.287 -0.129 0.000 0.928 1193 K CB -0.943 31.502 32.500 -0.091 0.000 0.716 1193 K HN 0.545 nan 8.250 nan 0.000 0.446 1194 A N 0.404 123.150 122.820 -0.124 0.000 2.121 1194 A HA -0.126 4.330 4.320 0.228 0.000 0.218 1194 A C 1.705 179.266 177.584 -0.038 0.000 1.154 1194 A CA 1.438 53.433 52.037 -0.071 0.000 0.679 1194 A CB -0.119 18.847 19.000 -0.055 0.000 0.795 1194 A HN 0.227 nan 8.150 nan 0.000 0.458 1195 E N -0.926 119.208 120.200 -0.110 0.000 2.476 1195 E HA 0.067 4.554 4.350 0.228 0.000 0.199 1195 E C 1.583 178.187 176.600 0.006 0.000 1.021 1195 E CA 0.321 56.716 56.400 -0.009 0.000 0.907 1195 E CB 0.005 29.609 29.700 -0.161 0.000 0.974 1195 E HN 0.721 nan 8.360 nan 0.000 0.489 1196 E N 0.514 120.679 120.200 -0.058 0.000 2.147 1196 E HA -0.294 4.193 4.350 0.228 0.000 0.199 1196 E C 1.719 178.309 176.600 -0.017 0.000 1.005 1196 E CA 1.304 57.690 56.400 -0.023 0.000 0.810 1196 E CB -0.049 29.621 29.700 -0.051 0.000 0.736 1196 E HN 0.282 nan 8.360 nan 0.000 0.460 1197 A N -0.142 122.638 122.820 -0.067 0.000 2.019 1197 A HA -0.176 4.281 4.320 0.228 0.000 0.219 1197 A C 1.440 178.916 177.584 -0.180 0.000 1.164 1197 A CA 1.665 53.615 52.037 -0.144 0.000 0.644 1197 A CB -0.687 18.176 19.000 -0.227 0.000 0.805 1197 A HN 0.420 nan 8.150 nan 0.000 0.449 1198 H N -3.586 115.497 119.070 0.021 0.000 2.548 1198 H HA 0.128 4.821 4.556 0.228 0.000 0.265 1198 H C -0.085 175.268 175.328 0.042 0.000 0.969 1198 H CA 0.076 56.141 56.048 0.028 0.000 1.155 1198 H CB 0.089 29.869 29.762 0.031 0.000 1.394 1198 H HN 0.457 nan 8.280 nan 0.000 0.570 1199 Y N 2.377 122.644 120.300 -0.054 0.000 2.480 1199 Y HA 0.359 5.045 4.550 0.228 0.000 0.341 1199 Y C 0.384 176.140 175.900 -0.240 0.000 1.031 1199 Y CA -1.700 56.301 58.100 -0.164 0.000 1.295 1199 Y CB -0.636 37.677 38.460 -0.245 0.000 1.162 1199 Y HN 0.156 nan 8.280 nan 0.000 0.523 1200 A N 5.749 128.672 122.820 0.172 0.000 2.310 1200 A HA 0.321 4.778 4.320 0.228 0.000 0.260 1200 A C -0.958 176.561 177.584 -0.110 0.000 1.112 1200 A CA -0.401 51.647 52.037 0.018 0.000 0.804 1200 A CB 0.298 19.263 19.000 -0.059 0.000 1.081 1200 A HN 0.886 nan 8.150 nan 0.000 0.499 1201 W N -1.104 120.203 121.300 0.012 0.000 2.551 1201 W HA 0.531 5.328 4.660 0.228 0.000 0.330 1201 W C 0.588 176.821 176.519 -0.478 0.000 1.063 1201 W CA -0.028 57.185 57.345 -0.221 0.000 1.222 1201 W CB 1.839 31.075 29.460 -0.373 0.000 1.349 1201 W HN 0.927 nan 8.180 nan 0.000 0.536 1202 G N 1.554 110.142 108.800 -0.354 0.000 2.412 1202 G HA2 0.583 4.680 3.960 0.228 0.000 0.318 1202 G HA3 0.583 4.680 3.960 0.228 0.000 0.318 1202 G C -2.131 172.368 174.900 -0.668 0.000 1.146 1202 G CA -0.410 44.158 45.100 -0.886 0.000 0.882 1202 G HN 0.423 nan 8.290 nan 0.000 0.501 1203 Y N -0.151 120.048 120.300 -0.168 0.000 2.409 1203 Y HA 0.656 5.343 4.550 0.228 0.000 0.343 1203 Y C 0.460 176.343 175.900 -0.027 0.000 0.973 1203 Y CA -0.868 57.197 58.100 -0.058 0.000 1.064 1203 Y CB 2.613 41.045 38.460 -0.046 0.000 1.207 1203 Y HN 0.487 nan 8.280 nan 0.000 0.452 1204 R N 2.497 123.068 120.500 0.118 0.000 2.512 1204 R HA 0.230 4.706 4.340 0.228 0.000 0.291 1204 R C -1.598 174.746 176.300 0.073 0.000 1.097 1204 R CA -0.510 55.640 56.100 0.083 0.000 0.940 1204 R CB 0.851 31.183 30.300 0.053 0.000 1.198 1204 R HN 0.834 nan 8.270 nan 0.000 0.429 1205 D N 3.587 124.026 120.400 0.065 0.000 2.735 1205 D HA -0.186 4.591 4.640 0.228 0.000 0.235 1205 D C 0.825 177.152 176.300 0.045 0.000 1.175 1205 D CA 1.971 55.998 54.000 0.044 0.000 0.683 1205 D CB -0.921 39.897 40.800 0.031 0.000 1.008 1205 D HN 1.086 nan 8.370 nan 0.000 0.416 1206 G N -0.460 108.376 108.800 0.061 0.000 2.196 1206 G HA2 -0.389 3.708 3.960 0.228 0.000 0.268 1206 G HA3 -0.389 3.708 3.960 0.228 0.000 0.268 1206 G C 0.374 175.330 174.900 0.094 0.000 0.975 1206 G CA 1.038 46.172 45.100 0.056 0.000 0.648 1206 G HN 0.524 nan 8.290 nan 0.000 0.538 1207 K N 0.441 120.899 120.400 0.096 0.000 2.164 1207 K HA 0.694 5.151 4.320 0.228 0.000 0.258 1207 K C 0.296 176.885 176.600 -0.018 0.000 0.951 1207 K CA -0.125 56.184 56.287 0.036 0.000 0.844 1207 K CB 1.886 34.380 32.500 -0.011 0.000 1.099 1207 K HN 0.393 nan 8.250 nan 0.000 0.435 1208 A N 2.137 124.844 122.820 -0.189 0.000 2.409 1208 A HA 0.453 4.910 4.320 0.228 0.000 0.262 1208 A C -0.178 177.263 177.584 -0.239 0.000 1.113 1208 A CA -0.391 51.350 52.037 -0.493 0.000 0.790 1208 A CB 0.016 18.498 19.000 -0.863 0.000 1.046 1208 A HN 0.523 nan 8.150 nan 0.000 0.496 1209 V N 0.507 120.395 119.914 -0.043 0.000 3.087 1209 V HA 0.847 5.103 4.120 0.228 0.000 0.306 1209 V C -0.662 175.592 176.094 0.266 0.000 1.187 1209 V CA -1.087 61.298 62.300 0.142 0.000 0.999 1209 V CB 1.773 33.633 31.823 0.062 0.000 1.049 1209 V HN 0.985 nan 8.190 nan 0.000 0.431 1210 R N 1.264 121.908 120.500 0.240 0.000 2.854 1210 R HA 0.760 5.237 4.340 0.228 0.000 0.271 1210 R C -0.969 175.428 176.300 0.162 0.000 0.994 1210 R CA -0.869 55.329 56.100 0.163 0.000 0.945 1210 R CB 2.470 32.701 30.300 -0.115 0.000 1.194 1210 R HN 0.810 nan 8.270 nan 0.000 0.476 1211 V N 1.666 121.689 119.914 0.182 0.000 2.763 1211 V HA 0.063 4.320 4.120 0.228 0.000 0.306 1211 V C -0.203 175.972 176.094 0.135 0.000 1.059 1211 V CA 0.688 63.087 62.300 0.165 0.000 1.138 1211 V CB 1.383 33.324 31.823 0.197 0.000 0.940 1211 V HN 0.728 nan 8.190 nan 0.000 0.489 1212 S N 6.590 122.365 115.700 0.125 0.000 2.616 1212 S HA 0.554 5.161 4.470 0.228 0.000 0.277 1212 S C -2.316 172.360 174.600 0.126 0.000 1.234 1212 S CA -0.725 57.536 58.200 0.103 0.000 1.028 1212 S CB 1.347 64.591 63.200 0.075 0.000 0.988 1212 S HN 0.827 nan 8.310 nan 0.000 0.522 1213 P HA 0.444 nan 4.420 nan 0.000 0.269 1213 P C -0.328 177.018 177.300 0.077 0.000 1.209 1213 P CA -0.040 63.097 63.100 0.061 0.000 0.776 1213 P CB 0.478 32.195 31.700 0.029 0.000 0.876 1214 G N 0.921 109.759 108.800 0.064 0.000 2.673 1214 G HA2 0.476 4.573 3.960 0.228 0.000 0.292 1214 G HA3 0.476 4.573 3.960 0.228 0.000 0.292 1214 G C -1.504 173.397 174.900 0.002 0.000 1.450 1214 G CA -0.754 44.392 45.100 0.076 0.000 0.837 1214 G HN 0.395 nan 8.290 nan 0.000 0.505 1215 M N 1.280 120.876 119.600 -0.005 0.000 2.238 1215 M HA 0.398 5.015 4.480 0.228 0.000 0.350 1215 M C 1.076 177.333 176.300 -0.071 0.000 1.321 1215 M CA 0.146 55.421 55.300 -0.041 0.000 1.097 1215 M CB -0.438 32.142 32.600 -0.033 0.000 1.713 1215 M HN 0.617 nan 8.290 nan 0.000 0.455 1216 L N 2.887 124.029 121.223 -0.136 0.000 4.089 1216 L HA -0.349 4.127 4.340 0.228 0.000 0.408 1216 L C 0.656 177.315 176.870 -0.352 0.000 1.184 1216 L CA 0.469 55.184 54.840 -0.210 0.000 0.947 1216 L CB -2.031 39.962 42.059 -0.109 0.000 2.066 1216 L HN 0.851 nan 8.230 nan 0.000 0.851 1217 D N 0.245 120.386 120.400 -0.430 0.000 2.117 1217 D HA -0.122 4.655 4.640 0.228 0.000 0.198 1217 D C 1.958 177.822 176.300 -0.727 0.000 0.982 1217 D CA 1.398 54.863 54.000 -0.893 0.000 0.828 1217 D CB -0.098 40.359 40.800 -0.572 0.000 0.967 1217 D HN 0.433 nan 8.370 nan 0.000 0.464 1218 A N 0.275 122.836 122.820 -0.432 0.000 1.940 1218 A HA -0.240 4.217 4.320 0.228 0.000 0.219 1218 A C 2.179 179.573 177.584 -0.317 0.000 1.176 1218 A CA 1.920 53.776 52.037 -0.303 0.000 0.631 1218 A CB -0.696 18.189 19.000 -0.191 0.000 0.814 1218 A HN 0.225 nan 8.150 nan 0.000 0.446 1219 Q N -1.101 118.402 119.800 -0.495 0.000 2.311 1219 Q HA 0.297 4.774 4.340 0.228 0.000 0.203 1219 Q C 1.868 177.768 176.000 -0.166 0.000 0.954 1219 Q CA 1.393 56.944 55.803 -0.421 0.000 0.885 1219 Q CB -0.169 28.239 28.738 -0.551 0.000 0.963 1219 Q HN 0.661 nan 8.270 nan 0.000 0.471 1220 A N -1.054 121.642 122.820 -0.208 0.000 2.138 1220 A HA 0.171 4.628 4.320 0.228 0.000 0.203 1220 A C 0.561 178.214 177.584 0.114 0.000 1.286 1220 A CA 0.328 52.354 52.037 -0.019 0.000 0.929 1220 A CB 0.261 19.308 19.000 0.079 0.000 0.975 1220 A HN 0.453 nan 8.150 nan 0.000 0.480 1221 Y N -4.406 115.898 120.300 0.007 0.000 3.024 1221 Y HA 0.436 5.122 4.550 0.228 0.000 0.283 1221 Y C 0.891 176.790 175.900 -0.002 0.000 1.040 1221 Y CA -0.362 57.752 58.100 0.023 0.000 1.283 1221 Y CB -0.407 38.079 38.460 0.042 0.000 1.367 1221 Y HN -0.001 nan 8.280 nan 0.000 0.589 1222 G N 0.941 109.642 108.800 -0.165 0.000 3.284 1222 G HA2 0.368 4.465 3.960 0.228 0.000 0.236 1222 G HA3 0.368 4.465 3.960 0.228 0.000 0.236 1222 G C -0.223 174.616 174.900 -0.103 0.000 1.158 1222 G CA 0.081 45.115 45.100 -0.110 0.000 0.774 1222 G HN 0.106 nan 8.290 nan 0.000 0.545 1223 V N 0.442 120.279 119.914 -0.128 0.000 2.649 1223 V HA 0.409 4.666 4.120 0.228 0.000 0.292 1223 V C -0.114 175.864 176.094 -0.192 0.000 1.055 1223 V CA -0.321 61.845 62.300 -0.224 0.000 1.023 1223 V CB 1.444 33.015 31.823 -0.420 0.000 0.992 1223 V HN 0.082 nan 8.190 nan 0.000 0.480 1224 K N 1.912 122.189 120.400 -0.205 0.000 2.324 1224 K HA 0.800 5.256 4.320 0.228 0.000 0.253 1224 K C -0.369 176.142 176.600 -0.149 0.000 0.932 1224 K CA -0.294 55.871 56.287 -0.203 0.000 0.799 1224 K CB 2.095 34.405 32.500 -0.317 0.000 1.154 1224 K HN 0.860 nan 8.250 nan 0.000 0.425 1225 T N 0.581 115.084 114.554 -0.084 0.000 2.693 1225 T HA 0.440 4.927 4.350 0.228 0.000 0.304 1225 T C -1.790 172.962 174.700 0.086 0.000 1.471 1225 T CA -0.854 61.219 62.100 -0.046 0.000 0.993 1225 T CB 0.672 69.472 68.868 -0.112 0.000 1.554 1225 T HN 0.745 nan 8.240 nan 0.000 0.496 1226 N N -0.029 118.717 118.700 0.077 0.000 2.525 1226 N HA 0.472 5.349 4.740 0.228 0.000 0.288 1226 N C 0.855 176.428 175.510 0.104 0.000 1.242 1226 N CA -0.597 52.533 53.050 0.134 0.000 0.905 1226 N CB 0.668 39.175 38.487 0.033 0.000 1.258 1226 N HN 0.272 nan 8.380 nan 0.000 0.551 1227 V N -0.061 119.914 119.914 0.102 0.000 2.759 1227 V HA -0.177 4.080 4.120 0.228 0.000 0.256 1227 V C 1.796 177.975 176.094 0.141 0.000 1.080 1227 V CA 1.771 64.140 62.300 0.115 0.000 1.101 1227 V CB -0.838 31.067 31.823 0.138 0.000 0.698 1227 V HN 0.646 nan 8.190 nan 0.000 0.477 1228 Q N -0.794 118.987 119.800 -0.031 0.000 2.020 1228 Q HA -0.180 4.296 4.340 0.228 0.000 0.198 1228 Q C 1.983 178.048 176.000 0.109 0.000 0.974 1228 Q CA 1.817 57.608 55.803 -0.021 0.000 0.829 1228 Q CB -0.227 28.373 28.738 -0.229 0.000 0.894 1228 Q HN 0.556 nan 8.270 nan 0.000 0.433 1229 D N 0.283 120.720 120.400 0.061 0.000 2.117 1229 D HA -0.130 4.647 4.640 0.228 0.000 0.197 1229 D C 1.790 178.199 176.300 0.181 0.000 0.987 1229 D CA 1.044 55.096 54.000 0.087 0.000 0.829 1229 D CB -0.007 40.798 40.800 0.009 0.000 0.961 1229 D HN 0.090 nan 8.370 nan 0.000 0.460 1230 M N 0.215 119.930 119.600 0.191 0.000 2.213 1230 M HA -0.020 4.597 4.480 0.228 0.000 0.263 1230 M C 2.123 178.587 176.300 0.274 0.000 1.062 1230 M CA 0.749 56.215 55.300 0.278 0.000 1.105 1230 M CB -0.931 31.808 32.600 0.231 0.000 1.385 1230 M HN 0.004 nan 8.290 nan 0.000 0.417 1231 A N 0.090 123.048 122.820 0.229 0.000 1.930 1231 A HA -0.166 4.291 4.320 0.228 0.000 0.217 1231 A C 1.955 179.602 177.584 0.105 0.000 1.175 1231 A CA 1.941 54.075 52.037 0.161 0.000 0.627 1231 A CB -0.928 18.195 19.000 0.205 0.000 0.815 1231 A HN 0.550 nan 8.150 nan 0.000 0.443 1232 N N -1.320 117.469 118.700 0.148 0.000 2.331 1232 N HA -0.119 4.757 4.740 0.228 0.000 0.180 1232 N C 1.464 177.057 175.510 0.138 0.000 1.019 1232 N CA 1.067 54.179 53.050 0.104 0.000 0.881 1232 N CB -0.206 38.346 38.487 0.109 0.000 0.972 1232 N HN 0.774 nan 8.380 nan 0.000 0.435 1233 W N 0.927 122.232 121.300 0.007 0.000 2.381 1233 W HA -0.117 4.678 4.660 0.225 0.000 0.301 1233 W C 1.108 177.568 176.519 -0.098 0.000 1.205 1233 W CA 0.820 58.159 57.345 -0.009 0.000 1.285 1233 W CB -0.090 29.413 29.460 0.073 0.000 1.133 1233 W HN -0.126 nan 8.180 nan 0.000 0.521 1234 V N 1.830 121.678 119.914 -0.111 0.000 2.427 1234 V HA -0.351 3.906 4.120 0.228 0.000 0.248 1234 V C 2.426 178.150 176.094 -0.616 0.000 1.051 1234 V CA 2.138 64.168 62.300 -0.450 0.000 1.048 1234 V CB -0.800 30.891 31.823 -0.220 0.000 0.666 1234 V HN 0.185 nan 8.190 nan 0.000 0.456 1235 M N -0.174 119.219 119.600 -0.345 0.000 2.117 1235 M HA -0.149 4.468 4.480 0.228 0.000 0.262 1235 M C 2.361 178.450 176.300 -0.352 0.000 1.065 1235 M CA 2.099 57.208 55.300 -0.319 0.000 1.114 1235 M CB -0.542 31.954 32.600 -0.175 0.000 1.361 1235 M HN 0.399 nan 8.290 nan 0.000 0.408 1236 A N 0.320 122.950 122.820 -0.317 0.000 1.972 1236 A HA -0.137 4.320 4.320 0.228 0.000 0.219 1236 A C 1.840 179.165 177.584 -0.433 0.000 1.169 1236 A CA 1.544 53.401 52.037 -0.300 0.000 0.635 1236 A CB -0.722 18.155 19.000 -0.206 0.000 0.810 1236 A HN 0.527 nan 8.150 nan 0.000 0.446 1237 N N -1.250 117.047 118.700 -0.671 0.000 2.416 1237 N HA 0.013 4.890 4.740 0.228 0.000 0.177 1237 N C 1.654 176.716 175.510 -0.746 0.000 1.036 1237 N CA 0.912 53.516 53.050 -0.743 0.000 0.901 1237 N CB -0.063 37.832 38.487 -0.987 0.000 0.976 1237 N HN 0.580 nan 8.380 nan 0.000 0.444 1238 M N 0.210 119.309 119.600 -0.836 0.000 2.334 1238 M HA 0.075 4.691 4.480 0.228 0.000 0.266 1238 M C -0.068 176.039 176.300 -0.321 0.000 1.082 1238 M CA 0.762 55.687 55.300 -0.626 0.000 1.141 1238 M CB 0.424 32.644 32.600 -0.633 0.000 1.380 1238 M HN -0.073 nan 8.290 nan 0.000 0.440 1239 A N 0.221 122.863 122.820 -0.296 0.000 2.984 1239 A HA 0.467 4.924 4.320 0.228 0.000 0.320 1239 A C -2.379 175.098 177.584 -0.177 0.000 1.142 1239 A CA -1.087 50.833 52.037 -0.196 0.000 0.772 1239 A CB 0.089 18.989 19.000 -0.166 0.000 1.195 1239 A HN 0.169 nan 8.150 nan 0.000 0.459 1240 P HA -0.148 nan 4.420 nan 0.000 0.220 1240 P C 0.941 178.184 177.300 -0.095 0.000 1.148 1240 P CA 1.324 64.344 63.100 -0.133 0.000 0.803 1240 P CB 0.320 31.950 31.700 -0.116 0.000 0.782 1241 E N -0.408 119.739 120.200 -0.088 0.000 2.171 1241 E HA -0.172 4.314 4.350 0.228 0.000 0.197 1241 E C 1.352 177.914 176.600 -0.063 0.000 0.997 1241 E CA 1.031 57.390 56.400 -0.068 0.000 0.810 1241 E CB -1.019 28.642 29.700 -0.065 0.000 0.738 1241 E HN 0.417 nan 8.360 nan 0.000 0.467 1242 N N 0.478 119.133 118.700 -0.075 0.000 2.398 1242 N HA 0.008 4.885 4.740 0.228 0.000 0.188 1242 N C -0.502 174.974 175.510 -0.058 0.000 1.122 1242 N CA 0.134 53.144 53.050 -0.066 0.000 0.866 1242 N CB 0.762 39.204 38.487 -0.076 0.000 0.970 1242 N HN 0.013 nan 8.380 nan 0.000 0.462 1243 V N 1.508 121.386 119.914 -0.059 0.000 2.432 1243 V HA 0.185 4.441 4.120 0.228 0.000 0.271 1243 V C 1.225 177.300 176.094 -0.032 0.000 1.046 1243 V CA -0.251 62.022 62.300 -0.045 0.000 0.945 1243 V CB 1.238 33.031 31.823 -0.049 0.000 0.992 1243 V HN 0.152 nan 8.190 nan 0.000 0.471 1244 A N 3.663 126.469 122.820 -0.024 0.000 1.929 1244 A HA -0.024 4.433 4.320 0.228 0.000 0.216 1244 A C 0.932 178.507 177.584 -0.014 0.000 1.176 1244 A CA 0.576 52.601 52.037 -0.019 0.000 0.628 1244 A CB -0.319 18.671 19.000 -0.017 0.000 0.816 1244 A HN 0.816 nan 8.150 nan 0.000 0.444 1245 D N -0.485 119.910 120.400 -0.009 0.000 2.371 1245 D HA 0.465 5.241 4.640 0.228 0.000 0.256 1245 D C 1.272 177.569 176.300 -0.005 0.000 1.193 1245 D CA 0.635 54.631 54.000 -0.005 0.000 0.881 1245 D CB 1.249 42.050 40.800 0.001 0.000 1.143 1245 D HN 0.276 nan 8.370 nan 0.000 0.473 1246 A N 2.612 125.428 122.820 -0.005 0.000 1.865 1246 A HA -0.221 4.236 4.320 0.228 0.000 0.217 1246 A C 2.170 179.754 177.584 0.001 0.000 1.191 1246 A CA 2.076 54.110 52.037 -0.004 0.000 0.623 1246 A CB -0.726 18.271 19.000 -0.004 0.000 0.826 1246 A HN 0.606 nan 8.150 nan 0.000 0.444 1247 S N -0.717 114.986 115.700 0.005 0.000 2.406 1247 S HA -0.073 4.534 4.470 0.228 0.000 0.228 1247 S C 1.828 176.439 174.600 0.019 0.000 1.020 1247 S CA 1.262 59.469 58.200 0.012 0.000 0.965 1247 S CB -0.544 62.663 63.200 0.010 0.000 0.798 1247 S HN 0.371 nan 8.310 nan 0.000 0.488 1248 L N 2.212 123.446 121.223 0.018 0.000 2.046 1248 L HA 0.086 4.562 4.340 0.228 0.000 0.208 1248 L C 2.507 179.389 176.870 0.019 0.000 1.077 1248 L CA 1.939 56.797 54.840 0.031 0.000 0.747 1248 L CB -0.859 41.221 42.059 0.034 0.000 0.896 1248 L HN 0.393 nan 8.230 nan 0.000 0.432 1249 K N -1.062 119.339 120.400 0.002 0.000 2.063 1249 K HA -0.280 4.177 4.320 0.228 0.000 0.208 1249 K C 2.212 178.807 176.600 -0.008 0.000 1.048 1249 K CA 1.837 58.115 56.287 -0.015 0.000 0.928 1249 K CB -0.154 32.333 32.500 -0.021 0.000 0.713 1249 K HN 0.343 nan 8.250 nan 0.000 0.442 1250 Q N 0.129 119.933 119.800 0.006 0.000 2.172 1250 Q HA -0.012 4.465 4.340 0.228 0.000 0.200 1250 Q C 1.813 177.836 176.000 0.038 0.000 0.964 1250 Q CA 1.880 57.692 55.803 0.016 0.000 0.855 1250 Q CB -0.505 28.244 28.738 0.019 0.000 0.918 1250 Q HN 0.447 nan 8.270 nan 0.000 0.444 1251 G N 0.396 109.224 108.800 0.047 0.000 2.408 1251 G HA2 -0.183 3.914 3.960 0.228 0.000 0.217 1251 G HA3 -0.183 3.914 3.960 0.228 0.000 0.217 1251 G C 1.421 176.376 174.900 0.092 0.000 1.150 1251 G CA 0.809 45.956 45.100 0.078 0.000 0.776 1251 G HN 0.418 nan 8.290 nan 0.000 0.542 1252 I N 1.164 121.765 120.570 0.051 0.000 2.315 1252 I HA -0.125 4.182 4.170 0.228 0.000 0.248 1252 I C 3.239 179.376 176.117 0.033 0.000 1.117 1252 I CA 0.857 62.174 61.300 0.028 0.000 1.404 1252 I CB -0.125 37.835 38.000 -0.066 0.000 1.071 1252 I HN 0.243 nan 8.210 nan 0.000 0.419 1253 A N 0.866 123.696 122.820 0.016 0.000 1.898 1253 A HA -0.130 4.326 4.320 0.228 0.000 0.216 1253 A C 2.270 179.886 177.584 0.053 0.000 1.181 1253 A CA 1.277 53.319 52.037 0.009 0.000 0.620 1253 A CB -0.741 18.255 19.000 -0.007 0.000 0.819 1253 A HN 0.371 nan 8.150 nan 0.000 0.442 1254 L N -0.898 120.382 121.223 0.095 0.000 2.141 1254 L HA -0.140 4.336 4.340 0.228 0.000 0.209 1254 L C 2.963 179.991 176.870 0.262 0.000 1.094 1254 L CA 0.895 55.836 54.840 0.168 0.000 0.763 1254 L CB -0.412 41.750 42.059 0.173 0.000 0.908 1254 L HN 0.432 nan 8.230 nan 0.000 0.437 1255 A N -0.958 122.004 122.820 0.237 0.000 2.066 1255 A HA -0.164 4.293 4.320 0.228 0.000 0.218 1255 A C 2.056 179.858 177.584 0.364 0.000 1.157 1255 A CA 1.047 53.275 52.037 0.318 0.000 0.670 1255 A CB -0.207 19.000 19.000 0.346 0.000 0.804 1255 A HN 0.457 nan 8.150 nan 0.000 0.453 1256 Q N -0.032 119.900 119.800 0.220 0.000 2.280 1256 Q HA 0.195 4.671 4.340 0.228 0.000 0.201 1256 Q C -0.124 175.904 176.000 0.047 0.000 0.890 1256 Q CA -0.319 55.556 55.803 0.120 0.000 0.947 1256 Q CB 0.378 29.102 28.738 -0.023 0.000 1.081 1256 Q HN 0.537 nan 8.270 nan 0.000 0.502 1257 S N 0.454 116.176 115.700 0.035 0.000 2.624 1257 S HA 0.321 4.928 4.470 0.228 0.000 0.263 1257 S C 0.015 174.448 174.600 -0.278 0.000 1.287 1257 S CA -0.322 57.765 58.200 -0.189 0.000 0.990 1257 S CB 0.700 63.697 63.200 -0.338 0.000 0.950 1257 S HN 0.218 nan 8.310 nan 0.000 0.561 1258 R N 0.779 121.050 120.500 -0.383 0.000 2.246 1258 R HA 0.291 4.768 4.340 0.228 0.000 0.332 1258 R C -0.508 175.573 176.300 -0.365 0.000 0.974 1258 R CA -0.185 55.795 56.100 -0.200 0.000 0.837 1258 R CB 0.514 30.763 30.300 -0.085 0.000 1.145 1258 R HN 0.666 nan 8.270 nan 0.000 0.467 1259 Y N 0.517 120.817 120.300 -0.001 0.000 2.479 1259 Y HA 0.160 4.854 4.550 0.239 0.000 0.283 1259 Y C 0.152 175.755 175.900 -0.495 0.000 1.109 1259 Y CA 0.259 58.191 58.100 -0.280 0.000 1.239 1259 Y CB 0.528 38.815 38.460 -0.288 0.000 1.108 1259 Y HN 0.442 nan 8.280 nan 0.000 0.548 1260 W N -0.362 121.088 121.300 0.250 0.000 3.107 1260 W HA 0.583 5.372 4.660 0.214 0.000 0.331 1260 W C -0.614 175.967 176.519 0.104 0.000 1.204 1260 W CA -1.231 56.209 57.345 0.159 0.000 1.184 1260 W CB 1.189 30.728 29.460 0.132 0.000 1.421 1260 W HN -0.516 nan 8.180 nan 0.000 0.544 1261 R N 2.083 122.734 120.500 0.251 0.000 2.437 1261 R HA 0.692 5.169 4.340 0.228 0.000 0.310 1261 R C -1.472 174.796 176.300 -0.052 0.000 0.955 1261 R CA -0.671 55.359 56.100 -0.117 0.000 0.851 1261 R CB 0.759 30.938 30.300 -0.202 0.000 1.161 1261 R HN 0.576 nan 8.270 nan 0.000 0.446 1262 I N 5.430 125.925 120.570 -0.124 0.000 2.537 1262 I HA 0.324 4.630 4.170 0.228 0.000 0.276 1262 I C 0.848 176.902 176.117 -0.105 0.000 1.063 1262 I CA 0.104 61.362 61.300 -0.070 0.000 1.144 1262 I CB 1.567 39.554 38.000 -0.021 0.000 1.252 1262 I HN 1.010 nan 8.210 nan 0.000 0.480 1263 G N 4.524 113.261 108.800 -0.105 0.000 2.574 1263 G HA2 -0.364 3.732 3.960 0.228 0.000 0.301 1263 G HA3 -0.364 3.732 3.960 0.228 0.000 0.301 1263 G C 0.927 175.750 174.900 -0.128 0.000 1.166 1263 G CA 0.637 45.682 45.100 -0.091 0.000 0.971 1263 G HN 0.756 nan 8.290 nan 0.000 0.542 1264 S N 0.245 115.892 115.700 -0.088 0.000 2.556 1264 S HA 0.492 5.099 4.470 0.228 0.000 0.216 1264 S C 0.918 175.494 174.600 -0.040 0.000 0.970 1264 S CA 1.110 59.275 58.200 -0.058 0.000 0.912 1264 S CB -0.103 63.088 63.200 -0.014 0.000 0.790 1264 S HN 1.400 nan 8.310 nan 0.000 0.504 1265 M N -0.085 119.462 119.600 -0.089 0.000 2.578 1265 M HA 0.764 5.381 4.480 0.228 0.000 0.321 1265 M C -1.749 174.472 176.300 -0.132 0.000 1.182 1265 M CA -0.833 54.486 55.300 0.033 0.000 0.965 1265 M CB 1.071 33.746 32.600 0.125 0.000 1.694 1265 M HN -0.012 nan 8.290 nan 0.000 0.461 1266 Y N 0.272 120.676 120.300 0.174 0.000 2.446 1266 Y HA 0.570 5.256 4.550 0.226 0.000 0.345 1266 Y C -0.630 175.423 175.900 0.255 0.000 0.984 1266 Y CA -0.618 57.598 58.100 0.194 0.000 1.058 1266 Y CB 1.898 40.441 38.460 0.138 0.000 1.220 1266 Y HN 0.679 nan 8.280 nan 0.000 0.455 1267 Q N 1.488 121.555 119.800 0.446 0.000 2.314 1267 Q HA 0.627 5.104 4.340 0.228 0.000 0.259 1267 Q C -0.139 176.151 176.000 0.483 0.000 0.951 1267 Q CA -0.269 55.804 55.803 0.451 0.000 0.909 1267 Q CB 1.320 30.343 28.738 0.475 0.000 1.236 1267 Q HN 0.906 nan 8.270 nan 0.000 0.444 1268 G N 2.632 111.694 108.800 0.436 0.000 2.857 1268 G HA2 0.519 4.616 3.960 0.228 0.000 0.217 1268 G HA3 0.519 4.616 3.960 0.228 0.000 0.217 1268 G C -1.008 174.084 174.900 0.320 0.000 1.357 1268 G CA -0.848 44.533 45.100 0.468 0.000 1.033 1268 G HN 0.580 nan 8.290 nan 0.000 0.571 1269 L N 1.222 122.603 121.223 0.263 0.000 2.270 1269 L HA 0.449 4.926 4.340 0.228 0.000 0.286 1269 L C 1.388 178.312 176.870 0.090 0.000 1.059 1269 L CA 0.490 55.361 54.840 0.052 0.000 0.839 1269 L CB 0.511 42.589 42.059 0.033 0.000 1.221 1269 L HN 1.059 nan 8.230 nan 0.000 0.431 1270 G N 2.288 111.112 108.800 0.041 0.000 4.039 1270 G HA2 -0.304 3.792 3.960 0.228 0.000 0.220 1270 G HA3 -0.304 3.792 3.960 0.228 0.000 0.220 1270 G C 0.008 174.950 174.900 0.071 0.000 1.391 1270 G CA -0.195 44.912 45.100 0.011 0.000 0.920 1270 G HN 0.521 nan 8.290 nan 0.000 0.599 1271 W N 2.381 123.802 121.300 0.201 0.000 2.158 1271 W HA 0.567 5.364 4.660 0.229 0.000 0.339 1271 W C 0.784 177.441 176.519 0.231 0.000 1.294 1271 W CA -0.144 57.315 57.345 0.190 0.000 1.231 1271 W CB 0.411 29.953 29.460 0.136 0.000 1.143 1271 W HN 0.304 nan 8.180 nan 0.000 0.571 1272 E N 1.858 122.395 120.200 0.562 0.000 2.222 1272 E HA 0.517 5.004 4.350 0.228 0.000 0.267 1272 E C -0.835 176.045 176.600 0.467 0.000 0.884 1272 E CA -1.107 55.584 56.400 0.486 0.000 0.764 1272 E CB 1.769 31.748 29.700 0.465 0.000 1.169 1272 E HN 0.173 nan 8.360 nan 0.000 0.413 1273 M N 2.270 122.101 119.600 0.384 0.000 2.572 1273 M HA 0.496 5.113 4.480 0.228 0.000 0.299 1273 M C -1.350 175.165 176.300 0.357 0.000 1.205 1273 M CA -0.591 54.884 55.300 0.293 0.000 0.876 1273 M CB 1.719 34.420 32.600 0.169 0.000 1.728 1273 M HN 0.229 nan 8.290 nan 0.000 0.458 1274 L N 0.840 122.243 121.223 0.301 0.000 2.371 1274 L HA 0.553 5.030 4.340 0.228 0.000 0.262 1274 L C -0.623 176.403 176.870 0.260 0.000 1.006 1274 L CA -0.611 54.406 54.840 0.296 0.000 0.818 1274 L CB 2.147 44.311 42.059 0.174 0.000 1.354 1274 L HN 0.796 nan 8.230 nan 0.000 0.415 1275 N N 0.753 119.592 118.700 0.231 0.000 2.525 1275 N HA 0.175 5.052 4.740 0.228 0.000 0.271 1275 N C -1.025 174.625 175.510 0.232 0.000 1.194 1275 N CA -0.247 52.904 53.050 0.168 0.000 0.964 1275 N CB 1.406 39.961 38.487 0.114 0.000 1.126 1275 N HN 0.457 nan 8.380 nan 0.000 0.452 1276 W N 3.180 124.515 121.300 0.058 0.000 2.632 1276 W HA 0.415 5.211 4.660 0.227 0.000 0.328 1276 W C -2.654 173.892 176.519 0.045 0.000 1.044 1276 W CA -1.791 55.599 57.345 0.076 0.000 1.225 1276 W CB 1.004 30.525 29.460 0.102 0.000 1.396 1276 W HN 0.424 nan 8.180 nan 0.000 0.499 1277 P HA 0.191 nan 4.420 nan 0.000 0.271 1277 P C -1.119 175.804 177.300 -0.628 0.000 1.218 1277 P CA -0.143 62.139 63.100 -1.365 0.000 0.780 1277 P CB 1.499 32.627 31.700 -0.954 0.000 0.901 1278 V N 1.569 121.114 119.914 -0.614 0.000 2.888 1278 V HA 0.243 4.500 4.120 0.228 0.000 0.309 1278 V C -0.716 175.275 176.094 -0.171 0.000 1.114 1278 V CA -0.766 61.399 62.300 -0.224 0.000 0.940 1278 V CB 2.119 33.907 31.823 -0.059 0.000 1.021 1278 V HN 0.511 nan 8.190 nan 0.000 0.426 1279 E N 3.632 123.730 120.200 -0.170 0.000 2.366 1279 E HA 0.410 4.897 4.350 0.228 0.000 0.266 1279 E C 1.101 177.475 176.600 -0.376 0.000 1.051 1279 E CA 0.282 56.566 56.400 -0.193 0.000 0.884 1279 E CB 1.694 31.296 29.700 -0.165 0.000 1.006 1279 E HN 0.875 nan 8.360 nan 0.000 0.417 1280 A N 3.848 126.247 122.820 -0.701 0.000 1.892 1280 A HA -0.285 4.172 4.320 0.228 0.000 0.218 1280 A C 1.899 179.167 177.584 -0.526 0.000 1.188 1280 A CA 1.880 53.271 52.037 -1.077 0.000 0.631 1280 A CB -0.558 17.767 19.000 -1.126 0.000 0.822 1280 A HN 0.793 nan 8.150 nan 0.000 0.447 1281 N N -0.965 117.532 118.700 -0.338 0.000 2.149 1281 N HA -0.149 4.728 4.740 0.228 0.000 0.188 1281 N C 1.592 176.991 175.510 -0.185 0.000 1.019 1281 N CA 1.895 54.815 53.050 -0.216 0.000 0.857 1281 N CB -0.083 38.313 38.487 -0.152 0.000 0.997 1281 N HN 0.540 nan 8.380 nan 0.000 0.426 1282 T N 0.305 114.743 114.554 -0.194 0.000 2.737 1282 T HA -0.064 4.422 4.350 0.228 0.000 0.265 1282 T C 2.094 176.707 174.700 -0.146 0.000 1.038 1282 T CA 0.945 62.957 62.100 -0.147 0.000 1.144 1282 T CB -0.259 68.529 68.868 -0.134 0.000 0.866 1282 T HN 0.022 nan 8.240 nan 0.000 0.434 1283 V N 1.225 121.005 119.914 -0.224 0.000 2.379 1283 V HA -0.102 4.155 4.120 0.228 0.000 0.245 1283 V C 2.681 178.716 176.094 -0.098 0.000 1.044 1283 V CA 1.078 63.264 62.300 -0.191 0.000 1.036 1283 V CB -0.681 30.896 31.823 -0.409 0.000 0.664 1283 V HN 0.297 nan 8.190 nan 0.000 0.453 1284 V N -0.052 119.765 119.914 -0.162 0.000 2.307 1284 V HA -0.238 4.018 4.120 0.228 0.000 0.245 1284 V C 2.404 178.444 176.094 -0.091 0.000 1.045 1284 V CA 2.007 64.231 62.300 -0.127 0.000 1.024 1284 V CB -0.597 31.129 31.823 -0.162 0.000 0.651 1284 V HN 0.590 nan 8.190 nan 0.000 0.449 1285 E N 0.212 120.357 120.200 -0.091 0.000 2.152 1285 E HA -0.101 4.385 4.350 0.228 0.000 0.192 1285 E C 2.266 178.836 176.600 -0.051 0.000 0.983 1285 E CA 0.987 57.346 56.400 -0.069 0.000 0.818 1285 E CB -0.349 29.309 29.700 -0.069 0.000 0.758 1285 E HN 0.648 nan 8.360 nan 0.000 0.467 1286 G N 1.010 109.787 108.800 -0.038 0.000 2.484 1286 G HA2 -0.225 3.872 3.960 0.228 0.000 0.218 1286 G HA3 -0.225 3.872 3.960 0.228 0.000 0.218 1286 G C 1.612 176.508 174.900 -0.005 0.000 1.130 1286 G CA 0.912 46.005 45.100 -0.011 0.000 0.784 1286 G HN 0.335 nan 8.290 nan 0.000 0.543 1287 S N -0.282 115.411 115.700 -0.012 0.000 2.558 1287 S HA 0.056 4.663 4.470 0.228 0.000 0.217 1287 S C 0.585 175.140 174.600 -0.074 0.000 0.975 1287 S CA 0.061 58.239 58.200 -0.037 0.000 0.912 1287 S CB 0.091 63.265 63.200 -0.044 0.000 0.776 1287 S HN 0.205 nan 8.310 nan 0.000 0.526 1288 D N 2.511 122.872 120.400 -0.064 0.000 2.424 1288 D HA 0.201 4.978 4.640 0.228 0.000 0.244 1288 D C 1.300 177.559 176.300 -0.068 0.000 1.134 1288 D CA 0.501 54.463 54.000 -0.063 0.000 0.881 1288 D CB 1.407 42.177 40.800 -0.050 0.000 1.191 1288 D HN 0.249 nan 8.370 nan 0.000 0.445 1289 S N 3.254 118.913 115.700 -0.068 0.000 2.500 1289 S HA -0.195 4.412 4.470 0.228 0.000 0.239 1289 S C 1.624 176.194 174.600 -0.051 0.000 0.989 1289 S CA 0.611 58.768 58.200 -0.071 0.000 0.951 1289 S CB -0.148 63.017 63.200 -0.058 0.000 0.759 1289 S HN 0.592 nan 8.310 nan 0.000 0.523 1290 K N 0.621 120.997 120.400 -0.040 0.000 2.365 1290 K HA 0.086 4.543 4.320 0.228 0.000 0.199 1290 K C 1.265 177.846 176.600 -0.032 0.000 1.045 1290 K CA 0.839 57.109 56.287 -0.028 0.000 0.962 1290 K CB 0.071 32.556 32.500 -0.024 0.000 0.759 1290 K HN 0.372 nan 8.250 nan 0.000 0.469 1291 V N -0.427 119.461 119.914 -0.044 0.000 3.013 1291 V HA 0.074 4.331 4.120 0.228 0.000 0.238 1291 V C 1.946 178.005 176.094 -0.059 0.000 1.161 1291 V CA 1.075 63.348 62.300 -0.045 0.000 1.170 1291 V CB 0.533 32.331 31.823 -0.042 0.000 0.917 1291 V HN 0.292 nan 8.190 nan 0.000 0.478 1292 A N 0.203 122.973 122.820 -0.083 0.000 1.933 1292 A HA -0.094 4.363 4.320 0.228 0.000 0.218 1292 A C 1.939 179.431 177.584 -0.155 0.000 1.175 1292 A CA 1.655 53.608 52.037 -0.139 0.000 0.628 1292 A CB -0.428 18.455 19.000 -0.195 0.000 0.814 1292 A HN 0.509 nan 8.150 nan 0.000 0.444 1293 L N -0.863 120.300 121.223 -0.099 0.000 2.607 1293 L HA 0.282 4.759 4.340 0.228 0.000 0.228 1293 L C 1.046 177.917 176.870 0.001 0.000 1.123 1293 L CA -0.115 54.701 54.840 -0.040 0.000 0.890 1293 L CB -0.306 41.744 42.059 -0.016 0.000 1.103 1293 L HN 0.351 nan 8.230 nan 0.000 0.468 1294 A N 1.370 124.179 122.820 -0.019 0.000 2.316 1294 A HA 0.567 5.024 4.320 0.228 0.000 0.284 1294 A C -2.280 175.281 177.584 -0.038 0.000 1.115 1294 A CA -1.237 50.794 52.037 -0.010 0.000 0.812 1294 A CB -0.051 18.936 19.000 -0.022 0.000 1.064 1294 A HN -0.095 nan 8.150 nan 0.000 0.489 1295 P HA 0.462 nan 4.420 nan 0.000 0.281 1295 P C -1.132 176.022 177.300 -0.244 0.000 1.252 1295 P CA 0.191 63.171 63.100 -0.199 0.000 0.778 1295 P CB 0.792 32.317 31.700 -0.292 0.000 0.895 1296 L N 4.720 125.785 121.223 -0.263 0.000 2.393 1296 L HA 0.522 4.999 4.340 0.228 0.000 0.260 1296 L C -2.371 174.346 176.870 -0.256 0.000 1.002 1296 L CA -2.691 52.019 54.840 -0.217 0.000 0.818 1296 L CB 2.991 44.972 42.059 -0.130 0.000 1.369 1296 L HN 0.194 nan 8.230 nan 0.000 0.412 1297 P HA 0.172 nan 4.420 nan 0.000 0.275 1297 P C -0.993 176.225 177.300 -0.138 0.000 1.228 1297 P CA -0.202 62.784 63.100 -0.191 0.000 0.786 1297 P CB 1.596 33.215 31.700 -0.134 0.000 0.927 1298 V N -1.129 118.704 119.914 -0.135 0.000 2.960 1298 V HA 0.936 5.193 4.120 0.228 0.000 0.315 1298 V C -0.632 175.528 176.094 0.109 0.000 1.087 1298 V CA -1.400 60.872 62.300 -0.047 0.000 0.982 1298 V CB 1.545 33.210 31.823 -0.263 0.000 1.039 1298 V HN 0.712 nan 8.190 nan 0.000 0.437 1299 A N 2.724 125.686 122.820 0.237 0.000 2.330 1299 A HA 0.727 5.184 4.320 0.228 0.000 0.313 1299 A C -0.199 177.619 177.584 0.391 0.000 1.124 1299 A CA -0.532 51.653 52.037 0.245 0.000 0.774 1299 A CB 0.915 19.989 19.000 0.124 0.000 1.198 1299 A HN 1.228 nan 8.150 nan 0.000 0.465 1300 E N 1.490 121.897 120.200 0.345 0.000 2.354 1300 E HA 0.442 4.929 4.350 0.228 0.000 0.269 1300 E C -1.143 175.433 176.600 -0.039 0.000 1.036 1300 E CA -0.542 55.880 56.400 0.036 0.000 0.876 1300 E CB 1.183 30.799 29.700 -0.140 0.000 1.009 1300 E HN 0.191 nan 8.360 nan 0.000 0.416 1301 V N 3.771 123.592 119.914 -0.154 0.000 2.294 1301 V HA 0.273 4.530 4.120 0.228 0.000 0.272 1301 V C -0.600 175.402 176.094 -0.154 0.000 1.027 1301 V CA -0.739 61.508 62.300 -0.087 0.000 0.823 1301 V CB 0.293 32.089 31.823 -0.045 0.000 1.030 1301 V HN 0.695 nan 8.190 nan 0.000 0.457 1302 N N 5.549 124.189 118.700 -0.101 0.000 2.430 1302 N HA 0.572 5.448 4.740 0.228 0.000 0.290 1302 N C -2.329 173.151 175.510 -0.051 0.000 1.063 1302 N CA -1.124 51.872 53.050 -0.090 0.000 0.883 1302 N CB 2.484 40.917 38.487 -0.089 0.000 1.465 1302 N HN 0.437 nan 8.380 nan 0.000 0.493 1303 P HA 0.358 nan 4.420 nan 0.000 0.269 1303 P C -2.727 174.510 177.300 -0.105 0.000 1.215 1303 P CA -0.863 62.199 63.100 -0.063 0.000 0.780 1303 P CB -0.255 31.419 31.700 -0.044 0.000 0.898 1304 P HA 0.082 nan 4.420 nan 0.000 0.264 1304 P C -0.413 176.744 177.300 -0.238 0.000 1.183 1304 P CA 0.332 63.267 63.100 -0.275 0.000 0.763 1304 P CB 0.169 31.645 31.700 -0.374 0.000 0.807 1305 A N 6.170 128.842 122.820 -0.247 0.000 2.363 1305 A HA 0.481 4.937 4.320 0.228 0.000 0.270 1305 A C -2.032 175.430 177.584 -0.203 0.000 1.121 1305 A CA -1.449 50.476 52.037 -0.186 0.000 0.800 1305 A CB -0.485 18.418 19.000 -0.162 0.000 1.052 1305 A HN 0.389 nan 8.150 nan 0.000 0.493 1306 P HA 0.240 nan 4.420 nan 0.000 0.272 1306 P C -2.670 174.559 177.300 -0.119 0.000 1.240 1306 P CA -1.393 61.635 63.100 -0.120 0.000 0.791 1306 P CB -0.601 31.049 31.700 -0.084 0.000 0.978 1307 P HA -0.053 nan 4.420 nan 0.000 0.261 1307 P C -0.528 176.714 177.300 -0.096 0.000 1.165 1307 P CA 0.687 63.730 63.100 -0.094 0.000 0.759 1307 P CB 0.045 31.699 31.700 -0.076 0.000 0.772 1308 V N 5.496 125.345 119.914 -0.108 0.000 2.347 1308 V HA 0.131 4.388 4.120 0.228 0.000 0.280 1308 V C 1.456 177.506 176.094 -0.073 0.000 1.021 1308 V CA -0.206 62.037 62.300 -0.095 0.000 0.847 1308 V CB 1.245 32.993 31.823 -0.124 0.000 0.990 1308 V HN 0.535 nan 8.190 nan 0.000 0.444 1309 K N 3.484 123.851 120.400 -0.054 0.000 2.097 1309 K HA -0.044 4.413 4.320 0.228 0.000 0.206 1309 K C 1.352 177.939 176.600 -0.022 0.000 1.049 1309 K CA 1.429 57.688 56.287 -0.046 0.000 0.933 1309 K CB -0.005 32.471 32.500 -0.039 0.000 0.717 1309 K HN 0.754 nan 8.250 nan 0.000 0.442 1310 A N 1.869 124.699 122.820 0.017 0.000 3.029 1310 A HA 0.137 4.594 4.320 0.228 0.000 0.251 1310 A C -0.463 177.203 177.584 0.137 0.000 1.749 1310 A CA 0.139 52.239 52.037 0.105 0.000 1.386 1310 A CB -0.165 18.906 19.000 0.118 0.000 1.043 1310 A HN 0.005 nan 8.150 nan 0.000 0.638 1311 S N 0.183 115.920 115.700 0.061 0.000 2.568 1311 S HA 0.538 5.145 4.470 0.228 0.000 0.293 1311 S C -0.953 173.660 174.600 0.022 0.000 1.089 1311 S CA -0.560 57.679 58.200 0.066 0.000 0.945 1311 S CB 1.199 64.367 63.200 -0.052 0.000 1.077 1311 S HN 0.669 nan 8.310 nan 0.000 0.485 1312 W N 4.313 125.576 121.300 -0.063 0.000 2.283 1312 W HA 0.560 5.356 4.660 0.227 0.000 0.317 1312 W C -1.895 174.443 176.519 -0.302 0.000 1.042 1312 W CA -0.565 56.676 57.345 -0.173 0.000 1.348 1312 W CB 0.449 29.920 29.460 0.019 0.000 1.216 1312 W HN 0.308 nan 8.180 nan 0.000 0.404 1313 V N 7.761 127.187 119.914 -0.814 0.000 2.435 1313 V HA 0.438 4.695 4.120 0.228 0.000 0.290 1313 V C 0.057 175.681 176.094 -0.784 0.000 1.030 1313 V CA -0.261 61.535 62.300 -0.839 0.000 0.881 1313 V CB 1.226 32.140 31.823 -1.514 0.000 0.983 1313 V HN 0.690 nan 8.190 nan 0.000 0.445 1314 H N 2.649 121.593 119.070 -0.211 0.000 2.918 1314 H HA 0.894 5.587 4.556 0.228 0.000 0.303 1314 H C -1.356 174.194 175.328 0.370 0.000 1.380 1314 H CA -1.298 54.761 56.048 0.019 0.000 1.134 1314 H CB 2.079 31.872 29.762 0.051 0.000 1.842 1314 H HN 0.422 nan 8.280 nan 0.000 0.533 1315 K N 1.134 121.601 120.400 0.110 0.000 2.580 1315 K HA 0.237 4.694 4.320 0.228 0.000 0.258 1315 K C -1.490 175.180 176.600 0.116 0.000 0.936 1315 K CA 0.033 56.352 56.287 0.054 0.000 0.852 1315 K CB 1.950 34.496 32.500 0.077 0.000 1.329 1315 K HN 0.927 nan 8.250 nan 0.000 0.430 1316 T N 0.067 114.697 114.554 0.126 0.000 2.909 1316 T HA 0.849 5.336 4.350 0.228 0.000 0.286 1316 T C 0.320 175.101 174.700 0.135 0.000 1.002 1316 T CA -0.491 61.730 62.100 0.202 0.000 1.074 1316 T CB 1.621 70.523 68.868 0.057 0.000 0.984 1316 T HN 0.635 nan 8.240 nan 0.000 0.495 1317 G N 0.474 109.363 108.800 0.148 0.000 2.731 1317 G HA2 0.579 4.676 3.960 0.228 0.000 0.298 1317 G HA3 0.579 4.676 3.960 0.228 0.000 0.298 1317 G C -1.301 173.683 174.900 0.140 0.000 1.424 1317 G CA -0.779 44.410 45.100 0.148 0.000 1.029 1317 G HN 0.836 nan 8.290 nan 0.000 0.518 1318 S N -0.436 115.344 115.700 0.133 0.000 2.556 1318 S HA 0.882 5.488 4.470 0.228 0.000 0.271 1318 S C -0.022 174.659 174.600 0.134 0.000 1.135 1318 S CA -0.487 57.796 58.200 0.137 0.000 0.858 1318 S CB 2.214 65.462 63.200 0.079 0.000 1.114 1318 S HN 1.263 nan 8.310 nan 0.000 0.468 1319 T N -1.772 112.894 114.554 0.186 0.000 2.693 1319 T HA 0.671 5.158 4.350 0.228 0.000 0.278 1319 T C 1.338 176.135 174.700 0.161 0.000 0.994 1319 T CA -0.182 62.011 62.100 0.155 0.000 1.033 1319 T CB 0.700 69.709 68.868 0.236 0.000 1.342 1319 T HN 0.584 nan 8.240 nan 0.000 0.538 1320 G N -0.347 108.535 108.800 0.135 0.000 2.442 1320 G HA2 0.180 4.277 3.960 0.228 0.000 0.219 1320 G HA3 0.180 4.277 3.960 0.228 0.000 0.219 1320 G C 1.145 176.117 174.900 0.121 0.000 1.141 1320 G CA 0.646 45.809 45.100 0.106 0.000 0.763 1320 G HN 1.175 nan 8.290 nan 0.000 0.554 1321 G N -1.338 107.567 108.800 0.175 0.000 3.377 1321 G HA2 0.474 4.570 3.960 0.228 0.000 0.257 1321 G HA3 0.474 4.570 3.960 0.228 0.000 0.257 1321 G C -0.392 174.423 174.900 -0.141 0.000 1.038 1321 G CA -0.467 44.640 45.100 0.010 0.000 0.809 1321 G HN 0.186 nan 8.290 nan 0.000 0.526 1322 F N -0.213 119.852 119.950 0.192 0.000 2.577 1322 F HA 0.716 5.380 4.527 0.228 0.000 0.318 1322 F C 0.359 176.287 175.800 0.214 0.000 1.065 1322 F CA -1.122 57.031 58.000 0.254 0.000 0.929 1322 F CB 2.591 41.762 39.000 0.284 0.000 1.237 1322 F HN 0.003 nan 8.300 nan 0.000 0.468 1323 G N 0.879 109.938 108.800 0.433 0.000 2.739 1323 G HA2 0.581 4.678 3.960 0.228 0.000 0.291 1323 G HA3 0.581 4.678 3.960 0.228 0.000 0.291 1323 G C -1.614 173.444 174.900 0.265 0.000 1.478 1323 G CA -0.573 44.676 45.100 0.250 0.000 1.062 1323 G HN 0.579 nan 8.290 nan 0.000 0.532 1324 S N 0.237 116.063 115.700 0.211 0.000 2.632 1324 S HA 0.834 5.441 4.470 0.228 0.000 0.289 1324 S C -1.692 173.073 174.600 0.275 0.000 1.115 1324 S CA -0.695 57.642 58.200 0.229 0.000 0.889 1324 S CB 2.132 65.459 63.200 0.212 0.000 1.116 1324 S HN 0.753 nan 8.310 nan 0.000 0.486 1325 Y N 0.723 121.098 120.300 0.125 0.000 2.521 1325 Y HA 0.550 5.236 4.550 0.227 0.000 0.332 1325 Y C -1.710 174.302 175.900 0.187 0.000 1.121 1325 Y CA -0.955 57.228 58.100 0.138 0.000 1.037 1325 Y CB 1.121 39.656 38.460 0.124 0.000 1.330 1325 Y HN 0.671 nan 8.280 nan 0.000 0.452 1326 V N 1.722 121.365 119.914 -0.451 0.000 2.760 1326 V HA 1.071 5.328 4.120 0.228 0.000 0.309 1326 V C -1.263 174.527 176.094 -0.507 0.000 1.077 1326 V CA -0.297 61.848 62.300 -0.258 0.000 0.910 1326 V CB 1.120 33.044 31.823 0.169 0.000 1.008 1326 V HN 1.474 nan 8.190 nan 0.000 0.424 1327 A N 4.545 127.136 122.820 -0.382 0.000 2.520 1327 A HA 1.050 5.506 4.320 0.228 0.000 0.298 1327 A C -1.156 176.161 177.584 -0.444 0.000 1.051 1327 A CA -0.508 51.183 52.037 -0.576 0.000 0.690 1327 A CB 1.826 20.401 19.000 -0.709 0.000 1.281 1327 A HN 2.257 nan 8.150 nan 0.000 0.402 1328 F N -0.511 118.998 119.950 -0.735 0.000 2.678 1328 F HA 0.797 5.460 4.527 0.227 0.000 0.308 1328 F C -1.511 173.909 175.800 -0.633 0.000 1.118 1328 F CA -1.194 56.442 58.000 -0.606 0.000 0.959 1328 F CB 1.206 39.927 39.000 -0.465 0.000 1.305 1328 F HN 0.343 nan 8.300 nan 0.000 0.443 1329 I N 3.101 123.469 120.570 -0.337 0.000 2.437 1329 I HA 0.302 4.609 4.170 0.228 0.000 0.279 1329 I C -2.092 173.917 176.117 -0.180 0.000 1.028 1329 I CA -1.965 59.107 61.300 -0.379 0.000 1.142 1329 I CB 1.780 39.411 38.000 -0.616 0.000 1.266 1329 I HN 0.394 nan 8.210 nan 0.000 0.461 1330 P HA -0.234 nan 4.420 nan 0.000 0.216 1330 P C 1.457 178.705 177.300 -0.088 0.000 1.153 1330 P CA 1.336 64.399 63.100 -0.062 0.000 0.858 1330 P CB 0.360 32.031 31.700 -0.048 0.000 0.789 1331 E N -0.221 119.928 120.200 -0.086 0.000 2.077 1331 E HA -0.206 4.280 4.350 0.228 0.000 0.193 1331 E C 1.382 177.943 176.600 -0.065 0.000 0.989 1331 E CA 1.196 57.563 56.400 -0.055 0.000 0.800 1331 E CB -0.139 29.557 29.700 -0.007 0.000 0.746 1331 E HN 0.008 nan 8.360 nan 0.000 0.452 1332 K N -0.010 120.324 120.400 -0.110 0.000 2.393 1332 K HA 0.024 4.481 4.320 0.228 0.000 0.193 1332 K C 0.239 176.784 176.600 -0.091 0.000 1.026 1332 K CA 0.176 56.405 56.287 -0.095 0.000 1.064 1332 K CB 0.545 32.960 32.500 -0.142 0.000 0.833 1332 K HN 0.073 nan 8.250 nan 0.000 0.521 1333 Q N 0.522 120.258 119.800 -0.107 0.000 2.453 1333 Q HA -0.163 4.314 4.340 0.228 0.000 0.294 1333 Q C -0.685 175.264 176.000 -0.084 0.000 1.295 1333 Q CA 0.592 56.332 55.803 -0.105 0.000 0.853 1333 Q CB -1.729 26.947 28.738 -0.104 0.000 1.193 1333 Q HN 0.601 nan 8.270 nan 0.000 0.461 1334 I N -3.677 116.839 120.570 -0.090 0.000 2.689 1334 I HA 0.985 5.292 4.170 0.228 0.000 0.299 1334 I C 0.440 176.500 176.117 -0.096 0.000 1.059 1334 I CA -0.661 60.609 61.300 -0.050 0.000 1.055 1334 I CB 2.548 40.532 38.000 -0.027 0.000 1.243 1334 I HN 0.067 nan 8.210 nan 0.000 0.425 1335 G N 4.362 113.123 108.800 -0.064 0.000 2.660 1335 G HA2 0.710 4.807 3.960 0.228 0.000 0.290 1335 G HA3 0.710 4.807 3.960 0.228 0.000 0.290 1335 G C -2.104 172.778 174.900 -0.030 0.000 1.432 1335 G CA -0.745 44.316 45.100 -0.065 0.000 0.807 1335 G HN 0.839 nan 8.290 nan 0.000 0.485 1336 I N -0.348 120.210 120.570 -0.020 0.000 2.827 1336 I HA 0.691 4.998 4.170 0.228 0.000 0.298 1336 I C -1.388 174.771 176.117 0.069 0.000 1.235 1336 I CA -1.038 60.289 61.300 0.044 0.000 1.021 1336 I CB 2.383 40.429 38.000 0.077 0.000 1.259 1336 I HN 0.375 nan 8.210 nan 0.000 0.427 1337 V N 7.213 127.200 119.914 0.121 0.000 2.577 1337 V HA 0.513 4.770 4.120 0.228 0.000 0.303 1337 V C -0.582 175.615 176.094 0.172 0.000 1.042 1337 V CA -0.389 61.997 62.300 0.142 0.000 0.872 1337 V CB 1.841 33.756 31.823 0.154 0.000 0.998 1337 V HN 0.634 nan 8.190 nan 0.000 0.423 1338 M N 6.489 126.200 119.600 0.185 0.000 2.053 1338 M HA 0.573 5.189 4.480 0.228 0.000 0.297 1338 M C -1.327 175.054 176.300 0.135 0.000 0.921 1338 M CA -0.122 55.295 55.300 0.195 0.000 0.918 1338 M CB 1.745 34.515 32.600 0.284 0.000 1.499 1338 M HN 0.369 nan 8.290 nan 0.000 0.422 1339 L N 2.881 124.084 121.223 -0.034 0.000 2.313 1339 L HA 0.985 5.462 4.340 0.228 0.000 0.283 1339 L C -0.268 176.455 176.870 -0.244 0.000 1.013 1339 L CA -0.700 53.977 54.840 -0.271 0.000 0.816 1339 L CB 1.709 43.261 42.059 -0.844 0.000 1.236 1339 L HN 0.767 nan 8.230 nan 0.000 0.419 1340 A N 1.986 124.920 122.820 0.189 0.000 2.475 1340 A HA 0.548 5.005 4.320 0.228 0.000 0.301 1340 A C -0.423 177.547 177.584 0.643 0.000 1.059 1340 A CA -0.784 51.522 52.037 0.447 0.000 0.710 1340 A CB 1.291 20.538 19.000 0.412 0.000 1.288 1340 A HN 0.750 nan 8.150 nan 0.000 0.408 1341 N N 0.908 119.927 118.700 0.531 0.000 2.597 1341 N HA 0.238 5.115 4.740 0.228 0.000 0.269 1341 N C -0.485 175.015 175.510 -0.017 0.000 1.204 1341 N CA 0.156 53.241 53.050 0.058 0.000 0.947 1341 N CB 0.683 39.196 38.487 0.044 0.000 1.258 1341 N HN 0.458 nan 8.380 nan 0.000 0.508 1342 T N -1.254 113.379 114.554 0.131 0.000 3.225 1342 T HA 0.198 4.685 4.350 0.228 0.000 0.356 1342 T C -1.700 173.171 174.700 0.285 0.000 1.460 1342 T CA -0.622 61.575 62.100 0.161 0.000 1.126 1342 T CB 0.962 69.928 68.868 0.164 0.000 1.321 1342 T HN 0.081 nan 8.240 nan 0.000 0.478 1343 S N 4.287 120.117 115.700 0.216 0.000 2.485 1343 S HA 0.500 5.107 4.470 0.228 0.000 0.312 1343 S C -0.337 174.380 174.600 0.195 0.000 1.102 1343 S CA -0.640 57.674 58.200 0.191 0.000 1.066 1343 S CB -0.846 62.431 63.200 0.129 0.000 1.102 1343 S HN 0.527 nan 8.310 nan 0.000 0.519 1344 Y N 2.733 123.074 120.300 0.068 0.000 2.488 1344 Y HA 0.763 5.451 4.550 0.229 0.000 0.325 1344 Y C -2.789 173.127 175.900 0.027 0.000 1.204 1344 Y CA -3.697 54.428 58.100 0.042 0.000 1.229 1344 Y CB -1.045 37.438 38.460 0.038 0.000 1.274 1344 Y HN 0.309 nan 8.280 nan 0.000 0.493 1345 P HA -0.025 nan 4.420 nan 0.000 0.259 1345 P C -0.045 177.129 177.300 -0.210 0.000 1.163 1345 P CA 0.800 63.857 63.100 -0.072 0.000 0.760 1345 P CB 0.487 32.196 31.700 0.015 0.000 0.762 1346 N N 4.439 123.019 118.700 -0.200 0.000 2.061 1346 N HA -0.180 4.697 4.740 0.228 0.000 0.193 1346 N C -0.926 174.454 175.510 -0.217 0.000 1.030 1346 N CA 1.259 54.167 53.050 -0.236 0.000 0.856 1346 N CB -0.991 37.395 38.487 -0.170 0.000 1.023 1346 N HN 0.495 nan 8.380 nan 0.000 0.424 1347 P HA -0.184 nan 4.420 nan 0.000 0.215 1347 P C 1.021 178.265 177.300 -0.094 0.000 1.157 1347 P CA 1.499 64.534 63.100 -0.109 0.000 0.874 1347 P CB -0.033 31.625 31.700 -0.071 0.000 0.790 1348 A N -0.332 122.466 122.820 -0.037 0.000 1.940 1348 A HA -0.243 4.214 4.320 0.228 0.000 0.219 1348 A C 2.206 179.830 177.584 0.067 0.000 1.176 1348 A CA 1.624 53.696 52.037 0.058 0.000 0.631 1348 A CB -1.021 18.105 19.000 0.211 0.000 0.814 1348 A HN 0.105 nan 8.150 nan 0.000 0.446 1349 R N -0.752 119.711 120.500 -0.061 0.000 2.070 1349 R HA -0.077 4.400 4.340 0.228 0.000 0.233 1349 R C 2.023 178.192 176.300 -0.219 0.000 1.137 1349 R CA 1.528 57.559 56.100 -0.115 0.000 0.945 1349 R CB -0.680 29.398 30.300 -0.370 0.000 0.845 1349 R HN 0.377 nan 8.270 nan 0.000 0.430 1350 V N 1.365 121.054 119.914 -0.375 0.000 2.407 1350 V HA -0.237 4.019 4.120 0.228 0.000 0.248 1350 V C 2.340 178.423 176.094 -0.018 0.000 1.055 1350 V CA 1.919 64.070 62.300 -0.249 0.000 1.049 1350 V CB -0.526 31.190 31.823 -0.178 0.000 0.662 1350 V HN 0.400 nan 8.190 nan 0.000 0.455 1351 E N 0.483 120.618 120.200 -0.109 0.000 2.051 1351 E HA -0.244 4.243 4.350 0.228 0.000 0.192 1351 E C 2.259 178.686 176.600 -0.288 0.000 0.991 1351 E CA 1.478 57.738 56.400 -0.233 0.000 0.799 1351 E CB -0.255 29.308 29.700 -0.227 0.000 0.748 1351 E HN 0.552 nan 8.360 nan 0.000 0.449 1352 A N 1.168 123.941 122.820 -0.079 0.000 1.908 1352 A HA -0.137 4.320 4.320 0.228 0.000 0.218 1352 A C 2.396 180.074 177.584 0.156 0.000 1.181 1352 A CA 1.968 54.032 52.037 0.046 0.000 0.627 1352 A CB -0.829 18.237 19.000 0.109 0.000 0.818 1352 A HN 0.436 nan 8.150 nan 0.000 0.445 1353 A N -1.718 121.249 122.820 0.244 0.000 1.902 1353 A HA -0.103 4.353 4.320 0.228 0.000 0.217 1353 A C 2.155 179.983 177.584 0.406 0.000 1.181 1353 A CA 1.631 53.891 52.037 0.373 0.000 0.623 1353 A CB -0.829 18.548 19.000 0.628 0.000 0.818 1353 A HN 0.663 nan 8.150 nan 0.000 0.443 1354 Y N 0.235 120.717 120.300 0.304 0.000 2.145 1354 Y HA -0.281 4.406 4.550 0.227 0.000 0.286 1354 Y C 2.417 178.481 175.900 0.273 0.000 1.145 1354 Y CA 2.295 60.579 58.100 0.306 0.000 1.148 1354 Y CB -0.550 37.967 38.460 0.095 0.000 0.981 1354 Y HN 0.578 nan 8.280 nan 0.000 0.507 1355 H N -0.916 118.367 119.070 0.356 0.000 2.319 1355 H HA -0.207 4.486 4.556 0.228 0.000 0.299 1355 H C 2.300 177.699 175.328 0.119 0.000 1.092 1355 H CA 1.607 57.786 56.048 0.218 0.000 1.302 1355 H CB -0.183 29.672 29.762 0.155 0.000 1.373 1355 H HN 0.314 nan 8.280 nan 0.000 0.497 1356 I N 0.684 121.399 120.570 0.242 0.000 2.179 1356 I HA -0.268 4.038 4.170 0.228 0.000 0.242 1356 I C 2.104 178.252 176.117 0.051 0.000 1.088 1356 I CA 1.077 62.446 61.300 0.116 0.000 1.357 1356 I CB -0.202 37.861 38.000 0.105 0.000 1.051 1356 I HN 0.238 nan 8.210 nan 0.000 0.409 1357 L N 0.282 121.541 121.223 0.060 0.000 2.201 1357 L HA -0.180 4.297 4.340 0.228 0.000 0.212 1357 L C 2.447 179.295 176.870 -0.037 0.000 1.105 1357 L CA 1.075 55.902 54.840 -0.022 0.000 0.775 1357 L CB -0.520 41.512 42.059 -0.045 0.000 0.913 1357 L HN 0.315 nan 8.230 nan 0.000 0.440 1358 E N 0.540 120.740 120.200 0.000 0.000 2.338 1358 E HA -0.148 4.338 4.350 0.228 0.000 0.197 1358 E C 1.834 178.457 176.600 0.039 0.000 1.007 1358 E CA 0.739 57.161 56.400 0.036 0.000 0.849 1358 E CB 0.160 29.930 29.700 0.117 0.000 0.774 1358 E HN 0.459 nan 8.360 nan 0.000 0.506 1359 A N 0.315 123.138 122.820 0.006 0.000 2.275 1359 A HA 0.232 4.689 4.320 0.228 0.000 0.212 1359 A C 0.588 178.118 177.584 -0.091 0.000 1.201 1359 A CA -0.097 51.922 52.037 -0.031 0.000 0.843 1359 A CB 0.139 19.112 19.000 -0.044 0.000 0.873 1359 A HN 0.104 nan 8.150 nan 0.000 0.492 1360 L N 0.000 121.168 121.223 -0.091 0.000 2.949 1360 L HA 0.000 4.477 4.340 0.228 0.000 0.249 1360 L CA 0.000 54.758 54.840 -0.136 0.000 0.813 1360 L CB 0.000 41.928 42.059 -0.219 0.000 0.961 1360 L HN 0.000 nan 8.230 nan 0.000 0.502