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 1z7q_1_e DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS 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 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.004 0.000 0.726 1003 P HA 0.061 nan 4.420 nan 0.000 0.230 1003 P C 1.322 178.626 177.300 0.007 0.000 1.168 1003 P CA 0.641 63.744 63.100 0.005 0.000 0.793 1003 P CB 0.986 32.689 31.700 0.005 0.000 0.851 1004 K N 0.572 120.976 120.400 0.007 0.000 2.137 1004 K HA 0.032 4.352 4.320 0.000 0.000 0.202 1004 K C 2.282 178.887 176.600 0.008 0.000 1.052 1004 K CA 0.415 56.707 56.287 0.008 0.000 0.961 1004 K CB 0.059 32.564 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.063 120.567 120.500 0.008 0.000 2.148 1005 R HA -0.037 4.303 4.340 0.000 0.000 0.227 1005 R C 2.200 178.506 176.300 0.009 0.000 1.103 1005 R CA 1.128 57.233 56.100 0.008 0.000 0.983 1005 R CB -0.168 30.136 30.300 0.007 0.000 0.874 1005 R HN 0.195 nan 8.270 nan 0.000 0.451 1006 A N 1.038 123.863 122.820 0.008 0.000 1.929 1006 A HA 0.010 4.330 4.320 0.000 0.000 0.216 1006 A C 2.310 179.900 177.584 0.011 0.000 1.176 1006 A CA 1.297 53.339 52.037 0.009 0.000 0.628 1006 A CB -0.469 18.536 19.000 0.007 0.000 0.816 1006 A HN 0.355 nan 8.150 nan 0.000 0.444 1007 A N 0.228 123.054 122.820 0.011 0.000 1.845 1007 A HA -0.084 4.236 4.320 0.000 0.000 0.215 1007 A C 2.149 179.742 177.584 0.015 0.000 1.195 1007 A CA 1.527 53.572 52.037 0.013 0.000 0.616 1007 A CB -0.816 18.191 19.000 0.012 0.000 0.832 1007 A HN 0.455 nan 8.150 nan 0.000 0.443 1008 L N -0.480 120.752 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 0.000 0.000 0.216 1008 L C 2.553 179.434 176.870 0.018 0.000 1.074 1008 L CA 1.807 56.657 54.840 0.016 0.000 0.763 1008 L CB -0.629 41.438 42.059 0.013 0.000 0.890 1008 L HN 0.412 nan 8.230 nan 0.000 0.434 1009 I N -0.871 119.708 120.570 0.015 0.000 2.361 1009 I HA -0.284 3.886 4.170 0.000 0.000 0.251 1009 I C 2.629 178.759 176.117 0.021 0.000 1.133 1009 I CA 0.906 62.215 61.300 0.015 0.000 1.413 1009 I CB -0.190 37.817 38.000 0.012 0.000 1.073 1009 I HN 0.358 nan 8.210 nan 0.000 0.424 1010 Q N 1.540 121.352 119.800 0.021 0.000 2.016 1010 Q HA -0.165 4.176 4.340 0.000 0.000 0.200 1010 Q C 1.918 177.937 176.000 0.032 0.000 0.978 1010 Q CA 1.775 57.592 55.803 0.024 0.000 0.833 1010 Q CB -0.195 28.555 28.738 0.020 0.000 0.895 1010 Q HN 0.397 nan 8.270 nan 0.000 0.427 1011 N N 0.153 118.872 118.700 0.032 0.000 2.149 1011 N HA -0.171 4.569 4.740 0.000 0.000 0.188 1011 N C 1.786 177.332 175.510 0.059 0.000 1.019 1011 N CA 1.103 54.177 53.050 0.040 0.000 0.857 1011 N CB -0.361 38.147 38.487 0.035 0.000 0.997 1011 N HN 0.280 nan 8.380 nan 0.000 0.426 1012 L N 1.006 122.262 121.223 0.054 0.000 1.989 1012 L HA -0.139 4.201 4.340 0.000 0.000 0.211 1012 L C 2.248 179.177 176.870 0.098 0.000 1.071 1012 L CA 1.400 56.279 54.840 0.066 0.000 0.749 1012 L CB -0.168 41.908 42.059 0.028 0.000 0.890 1012 L HN 0.145 nan 8.230 nan 0.000 0.431 1013 R N -0.551 119.992 120.500 0.072 0.000 2.316 1013 R HA -0.088 4.252 4.340 0.000 0.000 0.202 1013 R C 1.279 177.634 176.300 0.091 0.000 1.029 1013 R CA 0.600 56.750 56.100 0.083 0.000 1.018 1013 R CB -0.103 30.230 30.300 0.054 0.000 0.888 1013 R HN 0.432 nan 8.270 nan 0.000 0.471 1014 D N -0.452 119.996 120.400 0.079 0.000 2.305 1014 D HA 0.026 4.666 4.640 0.000 0.000 0.206 1014 D C 1.417 177.751 176.300 0.056 0.000 0.974 1014 D CA 0.760 54.795 54.000 0.057 0.000 0.871 1014 D CB 0.331 41.154 40.800 0.039 0.000 0.947 1014 D HN 0.011 nan 8.370 nan 0.000 0.516 1015 S N -0.150 115.613 115.700 0.105 0.000 2.406 1015 S HA -0.077 4.393 4.470 0.000 0.000 0.228 1015 S C 0.256 174.841 174.600 -0.024 0.000 1.020 1015 S CA 0.594 58.843 58.200 0.080 0.000 0.965 1015 S CB 0.080 63.418 63.200 0.230 0.000 0.798 1015 S HN 0.240 nan 8.310 nan 0.000 0.488 1016 Y N 2.260 122.564 120.300 0.008 0.000 2.787 1016 Y HA 0.320 4.870 4.550 0.000 0.000 0.352 1016 Y C 0.760 176.670 175.900 0.016 0.000 1.027 1016 Y CA -1.310 56.794 58.100 0.007 0.000 1.219 1016 Y CB -0.028 38.435 38.460 0.006 0.000 1.110 1016 Y HN 0.072 nan 8.280 nan 0.000 0.614 1017 T N -3.242 111.368 114.554 0.093 0.000 2.771 1017 T HA 0.090 4.440 4.350 0.000 0.000 0.290 1017 T C 1.272 176.028 174.700 0.094 0.000 1.005 1017 T CA -0.486 61.664 62.100 0.083 0.000 0.944 1017 T CB 1.112 70.007 68.868 0.045 0.000 1.147 1017 T HN 0.477 nan 8.240 nan 0.000 0.534 1018 E N 0.005 120.264 120.200 0.098 0.000 2.204 1018 E HA -0.110 4.240 4.350 0.000 0.000 0.194 1018 E C 1.975 178.635 176.600 0.099 0.000 0.989 1018 E CA 1.206 57.681 56.400 0.125 0.000 0.824 1018 E CB -0.699 29.078 29.700 0.128 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.363 114.954 114.554 0.061 0.000 2.788 1019 T HA -0.092 4.258 4.350 0.000 0.000 0.268 1019 T C 2.016 176.733 174.700 0.027 0.000 1.044 1019 T CA 1.359 63.498 62.100 0.065 0.000 1.139 1019 T CB -0.121 68.765 68.868 0.029 0.000 0.867 1019 T HN 0.106 nan 8.240 nan 0.000 0.454 1020 S N 1.896 117.592 115.700 -0.006 0.000 2.356 1020 S HA -0.135 4.335 4.470 0.000 0.000 0.223 1020 S C 2.531 177.078 174.600 -0.089 0.000 1.032 1020 S CA 1.527 59.690 58.200 -0.063 0.000 1.005 1020 S CB -0.451 62.705 63.200 -0.073 0.000 0.867 1020 S HN 0.762 nan 8.310 nan 0.000 0.449 1021 S N 1.120 116.792 115.700 -0.047 0.000 2.436 1021 S HA 0.016 4.486 4.470 0.000 0.000 0.228 1021 S C 1.621 176.044 174.600 -0.295 0.000 1.014 1021 S CA 0.446 58.547 58.200 -0.165 0.000 0.950 1021 S CB -0.616 62.548 63.200 -0.060 0.000 0.784 1021 S HN 0.421 nan 8.310 nan 0.000 0.504 1022 F N 3.221 122.999 119.950 -0.287 0.000 2.234 1022 F HA 0.269 4.796 4.527 0.000 0.000 0.299 1022 F C 2.403 178.015 175.800 -0.314 0.000 1.087 1022 F CA 0.183 57.991 58.000 -0.320 0.000 1.340 1022 F CB -0.997 37.883 39.000 -0.200 0.000 1.031 1022 F HN 0.280 nan 8.300 nan 0.000 0.500 1023 A N -0.044 122.546 122.820 -0.384 0.000 1.902 1023 A HA -0.125 4.195 4.320 0.000 0.000 0.217 1023 A C 2.322 179.622 177.584 -0.475 0.000 1.181 1023 A CA 1.977 53.747 52.037 -0.446 0.000 0.623 1023 A CB -1.377 17.470 19.000 -0.255 0.000 0.818 1023 A HN 0.236 nan 8.150 nan 0.000 0.443 1024 V N 0.583 120.203 119.914 -0.491 0.000 2.407 1024 V HA -0.245 3.875 4.120 0.000 0.000 0.248 1024 V C 2.377 177.898 176.094 -0.955 0.000 1.055 1024 V CA 1.668 63.571 62.300 -0.662 0.000 1.049 1024 V CB -0.702 30.688 31.823 -0.721 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.024 120.096 120.570 -0.830 0.000 2.353 1025 I HA -0.151 4.019 4.170 0.000 0.000 0.248 1025 I C 2.504 178.379 176.117 -0.404 0.000 1.119 1025 I CA 1.400 62.311 61.300 -0.648 0.000 1.417 1025 I CB -1.145 36.560 38.000 -0.491 0.000 1.078 1025 I HN 0.453 nan 8.210 nan 0.000 0.421 1026 E N 0.520 120.401 120.200 -0.532 0.000 2.077 1026 E HA -0.271 4.079 4.350 0.000 0.000 0.193 1026 E C 2.023 178.503 176.600 -0.199 0.000 0.989 1026 E CA 1.245 57.409 56.400 -0.394 0.000 0.800 1026 E CB -0.025 29.349 29.700 -0.543 0.000 0.746 1026 E HN 0.329 nan 8.360 nan 0.000 0.452 1027 E N 0.457 120.538 120.200 -0.198 0.000 2.058 1027 E HA -0.198 4.152 4.350 0.000 0.000 0.194 1027 E C 1.522 178.208 176.600 0.145 0.000 0.997 1027 E CA 1.341 57.720 56.400 -0.036 0.000 0.801 1027 E CB -0.274 29.412 29.700 -0.023 0.000 0.746 1027 E HN 0.290 nan 8.360 nan 0.000 0.450 1028 W N 0.546 121.771 121.300 -0.124 0.000 2.425 1028 W HA 0.145 4.805 4.660 -0.000 0.000 0.277 1028 W C 2.363 178.837 176.519 -0.075 0.000 1.231 1028 W CA 0.909 58.199 57.345 -0.092 0.000 1.248 1028 W CB -1.239 28.166 29.460 -0.092 0.000 1.117 1028 W HN 0.251 nan 8.180 nan 0.000 0.568 1029 A N 0.028 122.929 122.820 0.134 0.000 1.902 1029 A HA 0.099 4.419 4.320 0.000 0.000 0.217 1029 A C 2.110 179.716 177.584 0.037 0.000 1.181 1029 A CA 2.769 54.844 52.037 0.063 0.000 0.623 1029 A CB -0.833 18.172 19.000 0.008 0.000 0.818 1029 A HN 0.121 nan 8.150 nan 0.000 0.443 1030 A N -1.510 121.321 122.820 0.020 0.000 2.283 1030 A HA 0.484 4.804 4.320 0.000 0.000 0.225 1030 A C 2.334 179.924 177.584 0.009 0.000 2.109 1030 A CA 1.100 53.141 52.037 0.006 0.000 0.889 1030 A CB -1.358 17.634 19.000 -0.013 0.000 1.437 1030 A HN 0.738 nan 8.150 nan 0.000 0.595 1031 G N -0.298 108.505 108.800 0.006 0.000 2.672 1031 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 1031 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 1031 G C 1.496 176.399 174.900 0.004 0.000 1.238 1031 G CA 2.169 47.272 45.100 0.004 0.000 0.791 1031 G HN 0.456 nan 8.290 nan 0.000 0.606 1032 T N 1.069 115.637 114.554 0.023 0.000 2.803 1032 T HA -0.029 4.321 4.350 0.000 0.000 0.269 1032 T C 2.360 177.022 174.700 -0.063 0.000 1.052 1032 T CA 0.934 63.018 62.100 -0.028 0.000 1.136 1032 T CB -0.131 68.706 68.868 -0.052 0.000 0.864 1032 T HN 0.129 nan 8.240 nan 0.000 0.467 1033 L N 0.342 121.547 121.223 -0.030 0.000 2.072 1033 L HA -0.070 4.270 4.340 0.000 0.000 0.205 1033 L C 2.829 179.682 176.870 -0.028 0.000 1.079 1033 L CA 1.254 56.071 54.840 -0.038 0.000 0.752 1033 L CB -0.384 41.668 42.059 -0.011 0.000 0.906 1033 L HN 0.307 nan 8.230 nan 0.000 0.436 1034 Q N -0.576 119.215 119.800 -0.016 0.000 2.170 1034 Q HA -0.262 4.078 4.340 0.000 0.000 0.203 1034 Q C 1.951 177.943 176.000 -0.014 0.000 0.976 1034 Q CA 1.458 57.254 55.803 -0.012 0.000 0.858 1034 Q CB -0.019 28.715 28.738 -0.008 0.000 0.907 1034 Q HN 0.289 nan 8.270 nan 0.000 0.433 1035 E N 1.293 121.481 120.200 -0.020 0.000 2.077 1035 E HA -0.150 4.200 4.350 0.000 0.000 0.193 1035 E C 1.630 178.220 176.600 -0.015 0.000 0.989 1035 E CA 1.189 57.578 56.400 -0.019 0.000 0.800 1035 E CB -0.183 29.500 29.700 -0.029 0.000 0.746 1035 E HN 0.367 nan 8.360 nan 0.000 0.452 1036 I N 0.539 121.092 120.570 -0.029 0.000 2.252 1036 I HA -0.207 3.963 4.170 0.000 0.000 0.245 1036 I C 2.523 178.637 176.117 -0.004 0.000 1.102 1036 I CA 1.573 62.864 61.300 -0.017 0.000 1.385 1036 I CB -0.377 37.597 38.000 -0.045 0.000 1.064 1036 I HN 0.264 nan 8.210 nan 0.000 0.414 1037 E N 1.295 121.488 120.200 -0.012 0.000 2.265 1037 E HA -0.159 4.191 4.350 0.000 0.000 0.196 1037 E C 2.184 178.782 176.600 -0.003 0.000 0.996 1037 E CA 1.219 57.614 56.400 -0.008 0.000 0.832 1037 E CB -0.092 29.602 29.700 -0.009 0.000 0.756 1037 E HN 0.481 nan 8.360 nan 0.000 0.491 1038 G N 1.096 109.895 108.800 -0.001 0.000 2.394 1038 G HA2 -0.172 3.788 3.960 0.000 0.000 0.214 1038 G HA3 -0.172 3.788 3.960 0.000 0.000 0.214 1038 G C 1.553 176.458 174.900 0.007 0.000 1.176 1038 G CA 0.559 45.660 45.100 0.002 0.000 0.786 1038 G HN 0.263 nan 8.290 nan 0.000 0.533 1039 I N 1.582 122.162 120.570 0.017 0.000 2.567 1039 I HA -0.132 4.038 4.170 0.000 0.000 0.257 1039 I C 3.139 179.262 176.117 0.010 0.000 1.184 1039 I CA 0.549 61.866 61.300 0.029 0.000 1.451 1039 I CB -0.076 37.970 38.000 0.076 0.000 1.089 1039 I HN 0.249 nan 8.210 nan 0.000 0.441 1040 A N 2.216 125.037 122.820 0.003 0.000 1.845 1040 A HA -0.228 4.092 4.320 0.000 0.000 0.215 1040 A C 2.333 179.906 177.584 -0.018 0.000 1.195 1040 A CA 1.978 54.007 52.037 -0.013 0.000 0.616 1040 A CB -0.473 18.520 19.000 -0.012 0.000 0.832 1040 A HN 0.515 nan 8.150 nan 0.000 0.443 1041 K N -0.598 119.797 120.400 -0.010 0.000 2.365 1041 K HA 0.321 4.641 4.320 0.000 0.000 0.197 1041 K C 1.873 178.474 176.600 0.000 0.000 1.042 1041 K CA 0.949 57.232 56.287 -0.006 0.000 0.987 1041 K CB -0.272 32.226 32.500 -0.003 0.000 0.779 1041 K HN 0.258 nan 8.250 nan 0.000 0.484 1042 A N 1.919 124.739 122.820 0.001 0.000 1.933 1042 A HA -0.000 4.320 4.320 0.000 0.000 0.218 1042 A C 2.341 179.928 177.584 0.006 0.000 1.175 1042 A CA 1.684 53.724 52.037 0.006 0.000 0.628 1042 A CB -0.512 18.493 19.000 0.009 0.000 0.814 1042 A HN 0.470 nan 8.150 nan 0.000 0.444 1043 A N -1.209 121.608 122.820 -0.005 0.000 2.238 1043 A HA 0.565 4.885 4.320 0.000 0.000 0.210 1043 A C 2.130 179.725 177.584 0.018 0.000 1.179 1043 A CA 1.104 53.139 52.037 -0.004 0.000 0.827 1043 A CB -0.448 18.526 19.000 -0.043 0.000 0.856 1043 A HN 0.781 nan 8.150 nan 0.000 0.488 1044 A N 1.239 124.062 122.820 0.005 0.000 1.874 1044 A HA -0.099 4.221 4.320 0.000 0.000 0.214 1044 A C 1.923 179.537 177.584 0.050 0.000 1.189 1044 A CA 1.411 53.451 52.037 0.005 0.000 0.615 1044 A CB -0.437 18.554 19.000 -0.015 0.000 0.830 1044 A HN 0.682 nan 8.150 nan 0.000 0.443 1045 E N -0.220 120.004 120.200 0.040 0.000 2.216 1045 E HA 0.140 4.490 4.350 0.000 0.000 0.192 1045 E C 1.816 178.450 176.600 0.057 0.000 0.988 1045 E CA 0.753 57.180 56.400 0.046 0.000 0.834 1045 E CB -0.301 29.416 29.700 0.028 0.000 0.772 1045 E HN 0.431 nan 8.360 nan 0.000 0.479 1046 A N 1.697 124.551 122.820 0.057 0.000 2.066 1046 A HA -0.176 4.144 4.320 0.000 0.000 0.218 1046 A C 2.085 179.713 177.584 0.074 0.000 1.157 1046 A CA 1.355 53.424 52.037 0.052 0.000 0.670 1046 A CB -0.792 18.229 19.000 0.036 0.000 0.804 1046 A HN 0.422 nan 8.150 nan 0.000 0.453 1047 H N -0.404 118.667 119.070 0.002 0.000 2.482 1047 H HA 0.019 4.575 4.556 0.000 0.000 0.286 1047 H C 2.093 177.429 175.328 0.013 0.000 1.017 1047 H CA 1.358 57.409 56.048 0.005 0.000 1.322 1047 H CB -0.185 29.571 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.448 109.338 108.800 0.150 0.000 2.421 1048 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 1048 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 1048 G C 1.832 176.750 174.900 0.031 0.000 1.143 1048 G CA 0.767 45.925 45.100 0.098 0.000 0.784 1048 G HN 0.305 nan 8.290 nan 0.000 0.541 1049 V N 1.516 121.446 119.914 0.027 0.000 2.261 1049 V HA -0.155 3.965 4.120 0.000 0.000 0.246 1049 V C 2.755 178.861 176.094 0.020 0.000 1.047 1049 V CA 1.559 63.873 62.300 0.022 0.000 1.015 1049 V CB -0.446 31.393 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.061 120.510 120.570 0.002 0.000 2.567 1050 I HA -0.237 3.933 4.170 0.000 0.000 0.257 1050 I C 2.651 178.757 176.117 -0.019 0.000 1.184 1050 I CA 1.491 62.808 61.300 0.029 0.000 1.451 1050 I CB -0.466 37.519 38.000 -0.025 0.000 1.089 1050 I HN 0.269 nan 8.210 nan 0.000 0.441 1051 R N 1.444 121.897 120.500 -0.079 0.000 2.148 1051 R HA -0.057 4.283 4.340 0.000 0.000 0.223 1051 R C 0.756 177.055 176.300 -0.003 0.000 1.088 1051 R CA 1.046 57.107 56.100 -0.064 0.000 0.985 1051 R CB 0.082 30.350 30.300 -0.053 0.000 0.880 1051 R HN 0.350 nan 8.270 nan 0.000 0.451 1052 N N 0.536 119.246 118.700 0.016 0.000 2.380 1052 N HA 0.114 4.854 4.740 0.000 0.000 0.255 1052 N C -1.104 174.430 175.510 0.039 0.000 1.158 1052 N CA 0.057 53.123 53.050 0.026 0.000 0.878 1052 N CB 1.441 39.941 38.487 0.021 0.000 1.138 1052 N HN -0.007 nan 8.380 nan 0.000 0.509 1053 S N -0.519 115.223 115.700 0.071 0.000 2.599 1053 S HA 0.527 4.997 4.470 0.000 0.000 0.294 1053 S C -0.129 174.559 174.600 0.147 0.000 1.094 1053 S CA -0.530 57.726 58.200 0.094 0.000 0.931 1053 S CB 2.383 65.654 63.200 0.119 0.000 1.093 1053 S HN -0.007 nan 8.310 nan 0.000 0.488 1054 T N 2.566 117.186 114.554 0.110 0.000 2.770 1054 T HA 0.445 4.795 4.350 0.000 0.000 0.283 1054 T C -1.275 173.514 174.700 0.148 0.000 0.988 1054 T CA -0.229 61.951 62.100 0.133 0.000 0.957 1054 T CB 0.158 69.062 68.868 0.060 0.000 0.930 1054 T HN 0.386 nan 8.240 nan 0.000 0.443 1055 Y N 1.795 122.090 120.300 -0.008 0.000 2.316 1055 Y HA 0.592 5.142 4.550 0.000 0.000 0.331 1055 Y C 0.952 176.848 175.900 -0.007 0.000 1.083 1055 Y CA -0.146 57.950 58.100 -0.008 0.000 1.206 1055 Y CB 1.192 39.647 38.460 -0.008 0.000 1.195 1055 Y HN 0.839 nan 8.280 nan 0.000 0.497 1056 G N 2.227 111.054 108.800 0.046 0.000 3.015 1056 G HA2 0.343 4.303 3.960 0.000 0.000 0.281 1056 G HA3 0.343 4.303 3.960 0.000 0.000 0.281 1056 G C 0.212 175.124 174.900 0.020 0.000 1.386 1056 G CA -0.958 44.160 45.100 0.029 0.000 0.959 1056 G HN 0.598 nan 8.290 nan 0.000 0.522 1057 R N -0.383 120.124 120.500 0.012 0.000 2.159 1057 R HA -0.115 4.225 4.340 0.000 0.000 0.237 1057 R C 2.694 178.987 176.300 -0.011 0.000 1.131 1057 R CA 1.337 57.441 56.100 0.007 0.000 0.982 1057 R CB -0.299 30.002 30.300 0.002 0.000 0.868 1057 R HN 0.477 nan 8.270 nan 0.000 0.453 1058 A N 1.198 124.000 122.820 -0.030 0.000 1.940 1058 A HA -0.223 4.097 4.320 0.000 0.000 0.219 1058 A C 1.879 179.423 177.584 -0.066 0.000 1.176 1058 A CA 1.348 53.356 52.037 -0.047 0.000 0.631 1058 A CB -0.222 18.743 19.000 -0.058 0.000 0.814 1058 A HN 0.240 nan 8.150 nan 0.000 0.446 1059 Q N -0.790 118.952 119.800 -0.098 0.000 2.472 1059 Q HA 0.323 4.663 4.340 0.000 0.000 0.208 1059 Q C 1.703 177.686 176.000 -0.028 0.000 0.958 1059 Q CA 0.849 56.574 55.803 -0.130 0.000 0.932 1059 Q CB -0.218 28.298 28.738 -0.370 0.000 1.007 1059 Q HN 0.647 nan 8.270 nan 0.000 0.508 1060 A N 0.233 123.053 122.820 -0.001 0.000 2.238 1060 A HA 0.034 4.354 4.320 0.000 0.000 0.210 1060 A C 0.968 178.546 177.584 -0.010 0.000 1.179 1060 A CA 0.161 52.205 52.037 0.012 0.000 0.827 1060 A CB 0.237 19.250 19.000 0.021 0.000 0.856 1060 A HN 0.218 nan 8.150 nan 0.000 0.488 1061 E N -0.160 120.028 120.200 -0.019 0.000 2.437 1061 E HA 0.188 4.538 4.350 0.000 0.000 0.195 1061 E C -0.217 176.369 176.600 -0.024 0.000 1.029 1061 E CA -0.030 56.357 56.400 -0.021 0.000 0.948 1061 E CB 0.223 29.910 29.700 -0.021 0.000 1.082 1061 E HN 0.409 nan 8.360 nan 0.000 0.456 1062 K N 0.255 120.640 120.400 -0.025 0.000 2.622 1062 K HA 0.211 4.531 4.320 0.000 0.000 0.273 1062 K C -1.602 174.988 176.600 -0.018 0.000 0.957 1062 K CA -0.408 55.865 56.287 -0.023 0.000 0.861 1062 K CB 1.814 34.299 32.500 -0.025 0.000 1.405 1062 K HN -0.140 nan 8.250 nan 0.000 0.406 1063 S N 3.922 119.616 115.700 -0.011 0.000 2.438 1063 S HA 0.334 4.804 4.470 0.000 0.000 0.293 1063 S C -2.456 172.165 174.600 0.034 0.000 1.141 1063 S CA -1.129 57.074 58.200 0.004 0.000 1.080 1063 S CB 1.089 64.282 63.200 -0.011 0.000 0.978 1063 S HN 0.403 nan 8.310 nan 0.000 0.479 1064 P HA 0.013 nan 4.420 nan 0.000 0.254 1064 P C 0.148 177.489 177.300 0.068 0.000 1.186 1064 P CA 0.253 63.389 63.100 0.061 0.000 0.868 1064 P CB 0.330 32.085 31.700 0.092 0.000 0.856 1065 E N 2.151 122.376 120.200 0.042 0.000 2.204 1065 E HA -0.237 4.113 4.350 0.000 0.000 0.195 1065 E C 1.911 178.534 176.600 0.039 0.000 0.990 1065 E CA 0.924 57.348 56.400 0.040 0.000 0.821 1065 E CB 0.015 29.730 29.700 0.024 0.000 0.750 1065 E HN 0.608 nan 8.360 nan 0.000 0.477 1066 Q N 0.824 120.644 119.800 0.033 0.000 2.119 1066 Q HA -0.163 4.177 4.340 0.000 0.000 0.201 1066 Q C 2.147 178.162 176.000 0.026 0.000 0.972 1066 Q CA 0.994 56.813 55.803 0.027 0.000 0.847 1066 Q CB 0.062 28.813 28.738 0.022 0.000 0.903 1066 Q HN 0.311 nan 8.270 nan 0.000 0.433 1067 L N 0.319 121.562 121.223 0.033 0.000 2.056 1067 L HA -0.155 4.185 4.340 0.000 0.000 0.207 1067 L C 2.376 179.245 176.870 -0.001 0.000 1.078 1067 L CA 0.765 55.605 54.840 -0.000 0.000 0.749 1067 L CB -0.484 41.572 42.059 -0.005 0.000 0.901 1067 L HN 0.317 nan 8.230 nan 0.000 0.433 1068 L N -0.099 121.159 121.223 0.059 0.000 2.353 1068 L HA -0.095 4.245 4.340 0.000 0.000 0.220 1068 L C 2.551 179.451 176.870 0.050 0.000 1.133 1068 L CA 0.950 55.836 54.840 0.076 0.000 0.798 1068 L CB -0.967 41.150 42.059 0.096 0.000 0.922 1068 L HN 0.300 nan 8.230 nan 0.000 0.445 1069 G N -0.637 108.185 108.800 0.037 0.000 2.430 1069 G HA2 -0.082 3.878 3.960 0.000 0.000 0.216 1069 G HA3 -0.082 3.878 3.960 0.000 0.000 0.216 1069 G C 1.543 176.463 174.900 0.032 0.000 1.146 1069 G CA 0.513 45.632 45.100 0.033 0.000 0.793 1069 G HN 0.158 nan 8.290 nan 0.000 0.537 1070 V N 0.885 120.812 119.914 0.021 0.000 2.300 1070 V HA 0.021 4.141 4.120 0.000 0.000 0.241 1070 V C 2.795 178.918 176.094 0.048 0.000 1.034 1070 V CA 0.967 63.281 62.300 0.022 0.000 1.021 1070 V CB -0.490 31.327 31.823 -0.010 0.000 0.662 1070 V HN 0.288 nan 8.190 nan 0.000 0.458 1071 L N 0.139 121.374 121.223 0.020 0.000 2.263 1071 L HA -0.253 4.087 4.340 0.000 0.000 0.216 1071 L C 2.530 179.479 176.870 0.133 0.000 1.111 1071 L CA 1.536 56.416 54.840 0.068 0.000 0.773 1071 L CB -0.455 41.615 42.059 0.019 0.000 0.906 1071 L HN 0.426 nan 8.230 nan 0.000 0.439 1072 Q N 0.501 120.356 119.800 0.091 0.000 2.089 1072 Q HA -0.149 4.191 4.340 0.000 0.000 0.195 1072 Q C 2.257 178.301 176.000 0.073 0.000 0.963 1072 Q CA 1.262 57.111 55.803 0.077 0.000 0.834 1072 Q CB -0.122 28.651 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.078 119.466 120.500 0.074 0.000 2.159 1073 R HA -0.196 4.144 4.340 0.000 0.000 0.237 1073 R C 1.917 178.269 176.300 0.087 0.000 1.131 1073 R CA 1.432 57.569 56.100 0.062 0.000 0.982 1073 R CB -0.314 30.018 30.300 0.054 0.000 0.868 1073 R HN 0.423 nan 8.270 nan 0.000 0.453 1074 Y N 0.884 121.175 120.300 -0.016 0.000 2.176 1074 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 1074 Y C 2.390 178.273 175.900 -0.029 0.000 1.122 1074 Y CA 1.820 59.905 58.100 -0.024 0.000 1.128 1074 Y CB -0.459 37.987 38.460 -0.023 0.000 1.005 1074 Y HN 0.072 nan 8.280 nan 0.000 0.509 1075 Q N 0.184 119.967 119.800 -0.028 0.000 2.197 1075 Q HA -0.247 4.093 4.340 0.000 0.000 0.207 1075 Q C 1.508 177.427 176.000 -0.137 0.000 0.984 1075 Q CA 2.103 57.815 55.803 -0.151 0.000 0.869 1075 Q CB -0.205 28.506 28.738 -0.045 0.000 0.906 1075 Q HN 0.578 nan 8.270 nan 0.000 0.426 1076 D N 0.435 120.799 120.400 -0.060 0.000 2.097 1076 D HA -0.164 4.476 4.640 0.000 0.000 0.197 1076 D C 2.004 178.261 176.300 -0.072 0.000 0.984 1076 D CA 0.996 54.981 54.000 -0.024 0.000 0.826 1076 D CB -0.167 40.626 40.800 -0.011 0.000 0.973 1076 D HN 0.314 nan 8.370 nan 0.000 0.460 1077 L N 0.634 121.781 121.223 -0.125 0.000 2.017 1077 L HA -0.175 4.165 4.340 0.000 0.000 0.208 1077 L C 2.454 179.213 176.870 -0.186 0.000 1.073 1077 L CA 1.412 56.161 54.840 -0.151 0.000 0.745 1077 L CB -0.220 41.750 42.059 -0.148 0.000 0.894 1077 L HN 0.026 nan 8.230 nan 0.000 0.432 1078 C N -0.387 118.735 119.300 -0.298 0.000 2.413 1078 C HA -0.251 4.209 4.460 0.000 0.000 0.276 1078 C C 2.623 177.580 174.990 -0.055 0.000 1.236 1078 C CA 1.314 60.180 59.018 -0.254 0.000 1.735 1078 C CB -1.495 26.006 27.740 -0.398 0.000 2.031 1078 C HN 0.727 nan 8.230 nan 0.000 0.474 1079 H N 1.277 120.246 119.070 -0.168 0.000 2.265 1079 H HA -0.188 4.368 4.556 0.000 0.000 0.293 1079 H C 2.066 177.397 175.328 0.005 0.000 1.089 1079 H CA 2.044 58.038 56.048 -0.090 0.000 1.244 1079 H CB -0.170 29.534 29.762 -0.097 0.000 1.355 1079 H HN 0.470 nan 8.280 nan 0.000 0.485 1080 N N 0.534 119.201 118.700 -0.054 0.000 2.043 1080 N HA -0.161 4.579 4.740 0.000 0.000 0.193 1080 N C 2.222 177.768 175.510 0.059 0.000 1.037 1080 N CA 1.376 54.372 53.050 -0.090 0.000 0.851 1080 N CB -0.771 37.646 38.487 -0.116 0.000 1.027 1080 N HN 0.214 nan 8.380 nan 0.000 0.422 1081 V N 1.257 121.180 119.914 0.015 0.000 2.231 1081 V HA -0.289 3.831 4.120 0.000 0.000 0.248 1081 V C 2.139 178.320 176.094 0.146 0.000 1.054 1081 V CA 1.795 64.099 62.300 0.006 0.000 1.015 1081 V CB -0.822 30.873 31.823 -0.212 0.000 0.638 1081 V HN 0.305 nan 8.190 nan 0.000 0.444 1082 Y N -0.170 120.151 120.300 0.035 0.000 2.241 1082 Y HA -0.332 4.218 4.550 0.000 0.000 0.286 1082 Y C 2.421 178.394 175.900 0.121 0.000 1.166 1082 Y CA 2.073 60.218 58.100 0.075 0.000 1.203 1082 Y CB -0.319 38.172 38.460 0.052 0.000 0.977 1082 Y HN 0.316 nan 8.280 nan 0.000 0.529 1083 C N -0.189 119.283 119.300 0.287 0.000 2.492 1083 C HA -0.086 4.374 4.460 0.000 0.000 0.279 1083 C C 2.439 177.502 174.990 0.122 0.000 1.335 1083 C CA 0.858 60.002 59.018 0.210 0.000 1.734 1083 C CB -0.850 27.027 27.740 0.229 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.041 120.943 119.800 0.169 0.000 2.297 1084 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 1084 Q C 2.367 178.453 176.000 0.144 0.000 0.962 1084 Q CA 1.426 57.331 55.803 0.171 0.000 0.879 1084 Q CB -0.201 28.749 28.738 0.354 0.000 0.947 1084 Q HN 0.735 nan 8.270 nan 0.000 0.462 1085 A N 1.425 124.366 122.820 0.202 0.000 1.854 1085 A HA -0.152 4.168 4.320 0.000 0.000 0.214 1085 A C 1.911 179.484 177.584 -0.019 0.000 1.192 1085 A CA 0.914 53.032 52.037 0.135 0.000 0.611 1085 A CB -0.244 18.815 19.000 0.098 0.000 0.832 1085 A HN 0.114 nan 8.150 nan 0.000 0.442 1086 E N 0.007 120.141 120.200 -0.109 0.000 2.273 1086 E HA -0.149 4.201 4.350 0.000 0.000 0.198 1086 E C 1.954 178.548 176.600 -0.009 0.000 1.002 1086 E CA 1.561 57.900 56.400 -0.102 0.000 0.828 1086 E CB -0.633 28.997 29.700 -0.117 0.000 0.747 1086 E HN 0.623 nan 8.360 nan 0.000 0.491 1087 T N 0.986 115.561 114.554 0.034 0.000 2.732 1087 T HA -0.012 4.338 4.350 0.000 0.000 0.261 1087 T C 2.098 176.839 174.700 0.067 0.000 1.040 1087 T CA 0.643 62.808 62.100 0.108 0.000 1.145 1087 T CB -0.113 68.788 68.868 0.056 0.000 0.866 1087 T HN 0.131 nan 8.240 nan 0.000 0.427 1088 I N 0.718 121.275 120.570 -0.022 0.000 2.264 1088 I HA -0.181 3.989 4.170 0.000 0.000 0.248 1088 I C 2.852 178.980 176.117 0.018 0.000 1.111 1088 I CA 1.232 62.514 61.300 -0.031 0.000 1.382 1088 I CB -0.312 37.617 38.000 -0.117 0.000 1.060 1088 I HN 0.131 nan 8.210 nan 0.000 0.418 1089 R N 0.104 120.602 120.500 -0.003 0.000 2.092 1089 R HA -0.105 4.235 4.340 0.000 0.000 0.231 1089 R C 2.266 178.540 176.300 -0.044 0.000 1.119 1089 R CA 1.773 57.864 56.100 -0.014 0.000 0.970 1089 R CB -0.634 29.646 30.300 -0.033 0.000 0.864 1089 R HN 0.349 nan 8.270 nan 0.000 0.440 1090 T N 0.916 115.422 114.554 -0.080 0.000 2.867 1090 T HA -0.064 4.286 4.350 0.000 0.000 0.268 1090 T C 1.975 176.586 174.700 -0.149 0.000 1.057 1090 T CA 0.982 62.957 62.100 -0.208 0.000 1.136 1090 T CB -0.073 68.511 68.868 -0.473 0.000 0.874 1090 T HN -0.002 nan 8.240 nan 0.000 0.466 1091 V N 1.079 120.994 119.914 0.000 0.000 2.427 1091 V HA -0.094 4.026 4.120 0.000 0.000 0.248 1091 V C 2.237 178.358 176.094 0.045 0.000 1.051 1091 V CA 1.369 63.716 62.300 0.078 0.000 1.048 1091 V CB -0.498 31.409 31.823 0.138 0.000 0.666 1091 V HN 0.499 nan 8.190 nan 0.000 0.456 1092 I N 0.097 120.682 120.570 0.025 0.000 2.270 1092 I HA -0.049 4.121 4.170 0.000 0.000 0.239 1092 I C 2.730 178.826 176.117 -0.035 0.000 1.080 1092 I CA 1.059 62.362 61.300 0.005 0.000 1.383 1092 I CB -0.751 37.253 38.000 0.006 0.000 1.097 1092 I HN 0.224 nan 8.210 nan 0.000 0.420 1093 A N 1.943 124.733 122.820 -0.049 0.000 1.971 1093 A HA -0.250 4.070 4.320 0.000 0.000 0.222 1093 A C 2.201 179.754 177.584 -0.052 0.000 1.182 1093 A CA 2.371 54.373 52.037 -0.058 0.000 0.649 1093 A CB -1.255 17.709 19.000 -0.060 0.000 0.818 1093 A HN 0.673 nan 8.150 nan 0.000 0.458 1094 I N -4.784 115.754 120.570 -0.055 0.000 3.444 1094 I HA 0.094 4.264 4.170 0.000 0.000 0.287 1094 I C 1.356 177.461 176.117 -0.019 0.000 1.302 1094 I CA 0.671 61.947 61.300 -0.041 0.000 1.368 1094 I CB -0.059 37.909 38.000 -0.052 0.000 1.048 1094 I HN 0.090 nan 8.210 nan 0.000 0.487 1095 R N 1.152 121.640 120.500 -0.020 0.000 2.613 1095 R HA 0.481 4.821 4.340 0.000 0.000 0.361 1095 R C -0.190 176.094 176.300 -0.027 0.000 1.072 1095 R CA -0.271 55.821 56.100 -0.013 0.000 1.089 1095 R CB 0.619 30.919 30.300 0.000 0.000 1.343 1095 R HN 0.322 nan 8.270 nan 0.000 0.571 1096 I N 4.080 124.630 120.570 -0.034 0.000 2.337 1096 I HA 0.172 4.342 4.170 0.000 0.000 0.291 1096 I C -1.434 174.682 176.117 -0.002 0.000 1.046 1096 I CA -1.866 59.411 61.300 -0.038 0.000 1.324 1096 I CB 0.892 38.861 38.000 -0.052 0.000 1.409 1096 I HN -0.091 nan 8.210 nan 0.000 0.494 1097 P HA 0.003 nan 4.420 nan 0.000 0.274 1097 P C -0.247 177.077 177.300 0.039 0.000 1.264 1097 P CA -0.435 62.674 63.100 0.014 0.000 0.795 1097 P CB 0.560 32.261 31.700 0.002 0.000 1.064 1098 E N -0.014 120.205 120.200 0.032 0.000 2.529 1098 E HA -0.150 4.200 4.350 0.000 0.000 0.259 1098 E C -0.131 176.511 176.600 0.070 0.000 0.966 1098 E CA -0.001 56.428 56.400 0.049 0.000 0.937 1098 E CB -0.024 29.690 29.700 0.024 0.000 0.923 1098 E HN 0.382 nan 8.360 nan 0.000 0.468 1099 H N 4.583 123.662 119.070 0.015 0.000 3.082 1099 H HA 0.123 4.679 4.556 0.000 0.000 0.275 1099 H C -0.710 174.625 175.328 0.011 0.000 1.032 1099 H CA 0.644 56.704 56.048 0.019 0.000 1.477 1099 H CB 0.201 29.975 29.762 0.019 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.147 123.305 120.400 -0.403 0.000 2.378 1100 K HA 0.236 4.556 4.320 0.000 0.000 0.244 1100 K C 0.173 176.551 176.600 -0.370 0.000 1.039 1100 K CA -0.962 55.141 56.287 -0.307 0.000 0.863 1100 K CB 1.435 33.850 32.500 -0.141 0.000 1.326 1100 K HN 0.538 nan 8.250 nan 0.000 0.460 1101 E N 1.424 121.500 120.200 -0.206 0.000 2.548 1101 E HA 0.050 4.400 4.350 0.000 0.000 0.206 1101 E C -0.709 175.838 176.600 -0.089 0.000 1.005 1101 E CA 0.246 56.560 56.400 -0.143 0.000 0.951 1101 E CB 0.729 30.375 29.700 -0.090 0.000 1.035 1101 E HN 0.579 nan 8.360 nan 0.000 0.470 1102 E N -0.606 119.541 120.200 -0.087 0.000 2.433 1102 E HA 0.311 4.661 4.350 0.000 0.000 0.278 1102 E C -0.687 175.881 176.600 -0.053 0.000 0.976 1102 E CA -0.817 55.548 56.400 -0.058 0.000 0.793 1102 E CB 1.002 30.673 29.700 -0.048 0.000 1.311 1102 E HN -0.257 nan 8.360 nan 0.000 0.460 1103 D N 0.422 120.798 120.400 -0.040 0.000 2.723 1103 D HA -0.146 4.494 4.640 0.000 0.000 0.236 1103 D C -0.688 175.593 176.300 -0.031 0.000 1.138 1103 D CA 0.574 54.553 54.000 -0.036 0.000 0.676 1103 D CB -1.307 39.470 40.800 -0.039 0.000 1.069 1103 D HN 0.564 nan 8.370 nan 0.000 0.430 1104 N N 0.239 118.924 118.700 -0.025 0.000 2.321 1104 N HA 0.139 4.879 4.740 0.000 0.000 0.242 1104 N C 1.792 177.303 175.510 0.001 0.000 1.141 1104 N CA -0.279 52.767 53.050 -0.007 0.000 0.864 1104 N CB 0.218 38.704 38.487 -0.002 0.000 1.100 1104 N HN 0.412 nan 8.380 nan 0.000 0.510 1105 L N -0.296 120.920 121.223 -0.012 0.000 2.093 1105 L HA -0.040 4.300 4.340 0.000 0.000 0.208 1105 L C 2.344 179.205 176.870 -0.016 0.000 1.085 1105 L CA 1.374 56.206 54.840 -0.014 0.000 0.755 1105 L CB -0.363 41.682 42.059 -0.023 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.712 108.074 108.800 -0.024 0.000 2.396 1106 G HA2 -0.119 3.841 3.960 0.000 0.000 0.214 1106 G HA3 -0.119 3.841 3.960 0.000 0.000 0.214 1106 G C 1.577 176.466 174.900 -0.018 0.000 1.166 1106 G CA 0.559 45.638 45.100 -0.035 0.000 0.793 1106 G HN 0.148 nan 8.290 nan 0.000 0.533 1107 V N 1.924 121.840 119.914 0.003 0.000 2.380 1107 V HA -0.219 3.901 4.120 0.000 0.000 0.251 1107 V C 3.328 179.479 176.094 0.096 0.000 1.063 1107 V CA 2.051 64.372 62.300 0.035 0.000 1.055 1107 V CB -1.000 30.873 31.823 0.084 0.000 0.657 1107 V HN 0.462 nan 8.190 nan 0.000 0.455 1108 A N -0.133 122.740 122.820 0.088 0.000 1.908 1108 A HA -0.176 4.144 4.320 0.000 0.000 0.218 1108 A C 2.415 180.047 177.584 0.079 0.000 1.181 1108 A CA 2.199 54.297 52.037 0.102 0.000 0.627 1108 A CB -0.748 18.283 19.000 0.051 0.000 0.818 1108 A HN 0.351 nan 8.150 nan 0.000 0.445 1109 V N 0.156 120.087 119.914 0.028 0.000 2.332 1109 V HA -0.346 3.774 4.120 0.000 0.000 0.248 1109 V C 2.679 178.776 176.094 0.005 0.000 1.055 1109 V CA 2.303 64.607 62.300 0.007 0.000 1.038 1109 V CB -0.987 30.818 31.823 -0.030 0.000 0.651 1109 V HN 0.650 nan 8.190 nan 0.000 0.450 1110 Q N -0.949 118.835 119.800 -0.027 0.000 2.002 1110 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 1110 Q C 2.338 178.294 176.000 -0.073 0.000 0.988 1110 Q CA 1.853 57.609 55.803 -0.080 0.000 0.843 1110 Q CB -0.391 28.246 28.738 -0.168 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.138 119.221 119.070 0.022 0.000 2.387 1111 H HA -0.094 4.462 4.556 0.000 0.000 0.299 1111 H C 2.103 177.449 175.328 0.030 0.000 1.099 1111 H CA 1.440 57.504 56.048 0.026 0.000 1.315 1111 H CB -0.205 29.572 29.762 0.025 0.000 1.380 1111 H HN 0.345 nan 8.280 nan 0.000 0.513 1112 A N 0.627 123.530 122.820 0.139 0.000 1.851 1112 A HA -0.141 4.179 4.320 0.000 0.000 0.216 1112 A C 2.895 180.527 177.584 0.081 0.000 1.195 1112 A CA 1.955 54.048 52.037 0.093 0.000 0.622 1112 A CB -0.994 18.047 19.000 0.067 0.000 0.831 1112 A HN 0.217 nan 8.150 nan 0.000 0.444 1113 V N 0.195 120.150 119.914 0.070 0.000 2.343 1113 V HA -0.265 3.855 4.120 0.000 0.000 0.247 1113 V C 2.570 178.715 176.094 0.085 0.000 1.051 1113 V CA 1.913 64.261 62.300 0.081 0.000 1.036 1113 V CB -0.790 31.082 31.823 0.081 0.000 0.654 1113 V HN 0.559 nan 8.190 nan 0.000 0.451 1114 L N -0.195 121.069 121.223 0.068 0.000 2.081 1114 L HA -0.265 4.075 4.340 0.000 0.000 0.212 1114 L C 2.605 179.522 176.870 0.078 0.000 1.080 1114 L CA 2.058 56.937 54.840 0.064 0.000 0.754 1114 L CB -0.558 41.529 42.059 0.047 0.000 0.893 1114 L HN 0.364 nan 8.230 nan 0.000 0.433 1115 K N 0.644 121.097 120.400 0.089 0.000 2.057 1115 K HA -0.205 4.115 4.320 0.000 0.000 0.206 1115 K C 2.154 178.801 176.600 0.077 0.000 1.050 1115 K CA 1.292 57.628 56.287 0.082 0.000 0.935 1115 K CB -0.063 32.485 32.500 0.080 0.000 0.715 1115 K HN 0.260 nan 8.250 nan 0.000 0.439 1116 I N 0.805 121.424 120.570 0.082 0.000 2.394 1116 I HA -0.232 3.938 4.170 0.000 0.000 0.251 1116 I C 1.852 178.023 176.117 0.091 0.000 1.136 1116 I CA 1.093 62.443 61.300 0.084 0.000 1.425 1116 I CB 0.059 38.114 38.000 0.091 0.000 1.079 1116 I HN 0.255 nan 8.210 nan 0.000 0.425 1117 I N 0.863 121.491 120.570 0.096 0.000 2.252 1117 I HA -0.283 3.887 4.170 0.000 0.000 0.245 1117 I C 1.930 178.091 176.117 0.074 0.000 1.102 1117 I CA 1.309 62.669 61.300 0.100 0.000 1.385 1117 I CB -0.505 37.551 38.000 0.093 0.000 1.064 1117 I HN 0.254 nan 8.210 nan 0.000 0.414 1118 D N 0.429 120.868 120.400 0.065 0.000 2.178 1118 D HA -0.215 4.425 4.640 0.000 0.000 0.202 1118 D C 1.952 178.296 176.300 0.073 0.000 0.974 1118 D CA 1.020 55.056 54.000 0.061 0.000 0.841 1118 D CB -0.161 40.676 40.800 0.062 0.000 0.953 1118 D HN 0.434 nan 8.370 nan 0.000 0.478 1119 E N 0.172 120.417 120.200 0.075 0.000 2.150 1119 E HA -0.147 4.203 4.350 0.000 0.000 0.193 1119 E C 2.090 178.740 176.600 0.082 0.000 0.985 1119 E CA 0.253 56.701 56.400 0.080 0.000 0.814 1119 E CB 0.087 29.834 29.700 0.079 0.000 0.752 1119 E HN 0.100 nan 8.360 nan 0.000 0.466 1120 L N 1.263 122.528 121.223 0.069 0.000 2.044 1120 L HA -0.096 4.244 4.340 0.000 0.000 0.205 1120 L C 1.860 178.766 176.870 0.059 0.000 1.075 1120 L CA 1.825 56.691 54.840 0.044 0.000 0.747 1120 L CB -0.344 41.736 42.059 0.034 0.000 0.903 1120 L HN 0.025 nan 8.230 nan 0.000 0.435 1121 E N -0.280 119.965 120.200 0.074 0.000 2.160 1121 E HA -0.235 4.115 4.350 0.000 0.000 0.195 1121 E C 2.272 178.984 176.600 0.186 0.000 0.991 1121 E CA 1.546 58.023 56.400 0.128 0.000 0.810 1121 E CB -0.204 29.528 29.700 0.052 0.000 0.742 1121 E HN 0.596 nan 8.360 nan 0.000 0.466 1122 I N 0.894 121.545 120.570 0.135 0.000 2.315 1122 I HA -0.255 3.915 4.170 0.000 0.000 0.248 1122 I C 2.208 178.394 176.117 0.117 0.000 1.117 1122 I CA 0.824 62.199 61.300 0.126 0.000 1.404 1122 I CB -0.063 37.997 38.000 0.100 0.000 1.071 1122 I HN 0.025 nan 8.210 nan 0.000 0.419 1123 K N 0.454 120.921 120.400 0.112 0.000 2.002 1123 K HA -0.164 4.156 4.320 0.000 0.000 0.209 1123 K C 2.160 178.819 176.600 0.099 0.000 1.048 1123 K CA 2.192 58.550 56.287 0.119 0.000 0.930 1123 K CB -1.165 31.421 32.500 0.142 0.000 0.714 1123 K HN 0.444 nan 8.250 nan 0.000 0.438 1124 T N 0.780 115.378 114.554 0.073 0.000 2.684 1124 T HA -0.161 4.189 4.350 0.000 0.000 0.267 1124 T C 2.044 176.758 174.700 0.023 0.000 1.036 1124 T CA 1.206 63.321 62.100 0.024 0.000 1.148 1124 T CB -0.562 68.325 68.868 0.031 0.000 0.863 1124 T HN 0.044 nan 8.240 nan 0.000 0.436 1125 L N 1.911 123.186 121.223 0.088 0.000 2.187 1125 L HA 0.235 4.575 4.340 0.000 0.000 0.213 1125 L C 1.414 178.344 176.870 0.099 0.000 1.100 1125 L CA 1.586 56.459 54.840 0.056 0.000 0.765 1125 L CB -1.318 40.807 42.059 0.110 0.000 0.904 1125 L HN 0.925 nan 8.230 nan 0.000 0.437 1126 G N -2.143 106.719 108.800 0.104 0.000 2.741 1126 G HA2 -0.323 3.637 3.960 0.000 0.000 0.222 1126 G HA3 -0.323 3.637 3.960 0.000 0.000 0.222 1126 G C 0.613 175.579 174.900 0.110 0.000 1.364 1126 G CA 0.351 45.521 45.100 0.117 0.000 0.866 1126 G HN 0.566 nan 8.290 nan 0.000 0.555 1127 S N -0.429 115.329 115.700 0.097 0.000 2.325 1127 S HA 0.416 4.886 4.470 0.000 0.000 0.213 1127 S C 2.349 176.989 174.600 0.067 0.000 1.031 1127 S CA 1.779 60.020 58.200 0.069 0.000 0.984 1127 S CB -0.705 62.523 63.200 0.047 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.150 109.997 108.800 0.079 0.000 2.715 1128 G HA2 -0.117 3.843 3.960 0.000 0.000 0.221 1128 G HA3 -0.117 3.843 3.960 0.000 0.000 0.221 1128 G C -0.099 174.810 174.900 0.015 0.000 1.204 1128 G CA 0.111 45.230 45.100 0.030 0.000 1.063 1128 G HN 0.444 nan 8.290 nan 0.000 0.586 1129 E N -0.780 119.414 120.200 -0.010 0.000 2.594 1129 E HA 0.209 4.559 4.350 0.000 0.000 0.173 1129 E C -0.431 176.164 176.600 -0.008 0.000 0.905 1129 E CA 0.018 56.416 56.400 -0.004 0.000 1.344 1129 E CB 1.019 30.712 29.700 -0.011 0.000 1.156 1129 E HN 0.271 nan 8.360 nan 0.000 0.578 1130 K N 1.849 122.242 120.400 -0.011 0.000 2.640 1130 K HA 0.312 4.632 4.320 0.000 0.000 0.245 1130 K C -1.136 175.464 176.600 -0.001 0.000 0.962 1130 K CA -0.487 55.795 56.287 -0.009 0.000 0.896 1130 K CB 1.085 33.574 32.500 -0.018 0.000 1.147 1130 K HN 0.030 nan 8.250 nan 0.000 0.445 1131 S N 1.574 117.277 115.700 0.004 0.000 2.578 1131 S HA 0.767 5.237 4.470 0.000 0.000 0.301 1131 S C 0.301 174.907 174.600 0.010 0.000 1.091 1131 S CA -0.700 57.505 58.200 0.009 0.000 1.032 1131 S CB 1.507 64.713 63.200 0.010 0.000 1.064 1131 S HN 0.639 nan 8.310 nan 0.000 0.508 1132 G N 1.124 109.933 108.800 0.015 0.000 2.361 1132 G HA2 0.344 4.304 3.960 0.000 0.000 0.260 1132 G HA3 0.344 4.304 3.960 0.000 0.000 0.260 1132 G C 1.053 175.962 174.900 0.015 0.000 1.261 1132 G CA -0.137 44.974 45.100 0.017 0.000 0.897 1132 G HN 1.379 nan 8.290 nan 0.000 0.499 1133 S N 1.605 117.313 115.700 0.013 0.000 2.462 1133 S HA -0.227 4.243 4.470 0.000 0.000 0.255 1133 S C 2.181 176.787 174.600 0.010 0.000 1.058 1133 S CA 1.643 59.849 58.200 0.010 0.000 1.019 1133 S CB -0.391 62.815 63.200 0.010 0.000 0.801 1133 S HN 0.968 nan 8.310 nan 0.000 0.491 1134 G N 0.434 109.242 108.800 0.012 0.000 2.813 1134 G HA2 0.461 4.421 3.960 0.000 0.000 0.209 1134 G HA3 0.461 4.421 3.960 0.000 0.000 0.209 1134 G C 0.939 175.843 174.900 0.007 0.000 1.150 1134 G CA 0.150 45.256 45.100 0.011 0.000 0.785 1134 G HN 1.308 nan 8.290 nan 0.000 0.535 1135 G N -0.462 108.342 108.800 0.008 0.000 2.496 1135 G HA2 0.239 4.199 3.960 0.000 0.000 0.243 1135 G HA3 0.239 4.199 3.960 0.000 0.000 0.243 1135 G C 0.484 175.388 174.900 0.007 0.000 1.176 1135 G CA 0.344 45.447 45.100 0.005 0.000 0.940 1135 G HN 1.380 nan 8.290 nan 0.000 0.573 1136 A N 0.536 123.357 122.820 0.001 0.000 2.795 1136 A HA 0.733 5.053 4.320 0.000 0.000 0.282 1136 A C -0.518 177.058 177.584 -0.012 0.000 0.964 1136 A CA 0.829 52.867 52.037 0.002 0.000 1.045 1136 A CB 0.550 19.552 19.000 0.003 0.000 1.174 1136 A HN 0.674 nan 8.150 nan 0.000 0.493 1137 P HA -0.059 nan 4.420 nan 0.000 0.234 1137 P C 0.650 177.919 177.300 -0.053 0.000 1.167 1137 P CA 0.990 64.067 63.100 -0.037 0.000 0.763 1137 P CB -0.250 31.429 31.700 -0.035 0.000 0.835 1138 T N 0.874 115.410 114.554 -0.029 0.000 2.779 1138 T HA 0.222 4.572 4.350 0.000 0.000 0.296 1138 T C -1.656 173.030 174.700 -0.022 0.000 0.938 1138 T CA -1.706 60.382 62.100 -0.020 0.000 1.119 1138 T CB 0.373 69.257 68.868 0.028 0.000 0.891 1138 T HN -0.119 nan 8.240 nan 0.000 0.526 1139 P HA -0.082 nan 4.420 nan 0.000 0.224 1139 P C 0.104 177.375 177.300 -0.050 0.000 0.880 1139 P CA 0.859 63.926 63.100 -0.055 0.000 1.070 1139 P CB 0.180 31.857 31.700 -0.038 0.000 0.652 1140 I N -2.268 118.291 120.570 -0.018 0.000 2.545 1140 I HA 0.517 4.687 4.170 0.000 0.000 0.292 1140 I C 0.640 176.837 176.117 0.133 0.000 1.040 1140 I CA -1.017 60.285 61.300 0.003 0.000 1.068 1140 I CB 1.790 39.729 38.000 -0.102 0.000 1.251 1140 I HN 0.119 nan 8.210 nan 0.000 0.424 1141 G N 5.337 114.226 108.800 0.149 0.000 2.527 1141 G HA2 0.063 4.023 3.960 0.000 0.000 0.279 1141 G HA3 0.063 4.023 3.960 0.000 0.000 0.279 1141 G C 0.483 175.493 174.900 0.184 0.000 1.374 1141 G CA -0.133 45.077 45.100 0.183 0.000 1.053 1141 G HN 0.803 nan 8.290 nan 0.000 0.539 1142 M N -1.792 117.812 119.600 0.007 0.000 2.453 1142 M HA 0.435 4.915 4.480 0.000 0.000 0.239 1142 M C -0.176 175.913 176.300 -0.351 0.000 1.151 1142 M CA 0.316 55.489 55.300 -0.211 0.000 0.989 1142 M CB 0.363 32.715 32.600 -0.414 0.000 1.548 1142 M HN 0.335 nan 8.290 nan 0.000 0.479 1143 Y N 0.346 120.701 120.300 0.091 0.000 2.774 1143 Y HA 0.606 5.156 4.550 0.000 0.000 0.305 1143 Y C 1.859 177.853 175.900 0.157 0.000 1.067 1143 Y CA -0.338 57.816 58.100 0.091 0.000 1.304 1143 Y CB -0.070 38.424 38.460 0.056 0.000 1.209 1143 Y HN 0.422 nan 8.280 nan 0.000 0.543 1144 A N 0.041 123.026 122.820 0.276 0.000 1.883 1144 A HA -0.197 4.123 4.320 0.000 0.000 0.217 1144 A C 2.077 179.867 177.584 0.343 0.000 1.186 1144 A CA 1.574 53.812 52.037 0.333 0.000 0.624 1144 A CB -0.596 18.572 19.000 0.280 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.329 121.045 121.223 0.250 0.000 1.997 1145 L HA -0.229 4.111 4.340 0.000 0.000 0.216 1145 L C 2.572 179.573 176.870 0.218 0.000 1.074 1145 L CA 2.577 57.552 54.840 0.225 0.000 0.763 1145 L CB -0.760 41.394 42.059 0.158 0.000 0.890 1145 L HN 0.512 nan 8.230 nan 0.000 0.434 1146 R N 0.043 120.669 120.500 0.210 0.000 2.080 1146 R HA -0.178 4.162 4.340 0.000 0.000 0.236 1146 R C 2.162 178.551 176.300 0.149 0.000 1.137 1146 R CA 2.018 58.216 56.100 0.164 0.000 0.943 1146 R CB -0.493 29.918 30.300 0.185 0.000 0.846 1146 R HN 0.531 nan 8.270 nan 0.000 0.431 1147 E N -1.221 119.117 120.200 0.229 0.000 2.106 1147 E HA -0.217 4.133 4.350 0.000 0.000 0.192 1147 E C 1.680 178.391 176.600 0.184 0.000 0.984 1147 E CA 1.227 57.777 56.400 0.251 0.000 0.806 1147 E CB -0.319 29.607 29.700 0.378 0.000 0.750 1147 E HN 0.374 nan 8.360 nan 0.000 0.458 1148 Y N 1.596 121.853 120.300 -0.072 0.000 2.089 1148 Y HA -0.185 4.365 4.550 0.000 0.000 0.282 1148 Y C 1.901 177.585 175.900 -0.360 0.000 1.139 1148 Y CA 1.393 59.111 58.100 -0.636 0.000 1.123 1148 Y CB -0.435 37.709 38.460 -0.527 0.000 0.980 1148 Y HN -0.075 nan 8.280 nan 0.000 0.493 1149 L N -0.733 120.307 121.223 -0.306 0.000 2.127 1149 L HA -0.221 4.119 4.340 0.000 0.000 0.211 1149 L C 2.762 179.487 176.870 -0.242 0.000 1.089 1149 L CA 1.686 56.317 54.840 -0.350 0.000 0.757 1149 L CB -0.832 41.144 42.059 -0.139 0.000 0.899 1149 L HN 0.254 nan 8.230 nan 0.000 0.434 1150 S N -0.470 115.150 115.700 -0.133 0.000 2.406 1150 S HA -0.079 4.391 4.470 0.000 0.000 0.228 1150 S C 2.057 176.602 174.600 -0.091 0.000 1.020 1150 S CA 1.044 59.198 58.200 -0.077 0.000 0.965 1150 S CB 0.060 63.252 63.200 -0.012 0.000 0.798 1150 S HN 0.435 nan 8.310 nan 0.000 0.488 1151 A N 1.484 124.228 122.820 -0.128 0.000 1.874 1151 A HA 0.096 4.416 4.320 0.000 0.000 0.214 1151 A C 2.199 179.691 177.584 -0.154 0.000 1.189 1151 A CA 1.184 53.163 52.037 -0.097 0.000 0.615 1151 A CB -0.643 18.323 19.000 -0.057 0.000 0.830 1151 A HN 0.547 nan 8.150 nan 0.000 0.443 1152 R N -0.406 119.914 120.500 -0.300 0.000 2.075 1152 R HA -0.108 4.232 4.340 0.000 0.000 0.232 1152 R C 2.549 178.738 176.300 -0.185 0.000 1.126 1152 R CA 1.558 57.488 56.100 -0.283 0.000 0.963 1152 R CB -0.312 29.686 30.300 -0.505 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.526 115.062 115.700 -0.186 0.000 2.365 1153 S HA -0.175 4.295 4.470 0.000 0.000 0.225 1153 S C 1.717 176.270 174.600 -0.078 0.000 1.039 1153 S CA 2.154 60.283 58.200 -0.119 0.000 1.033 1153 S CB -0.385 62.752 63.200 -0.105 0.000 0.887 1153 S HN 0.482 nan 8.310 nan 0.000 0.447 1154 T N 1.236 115.748 114.554 -0.069 0.000 2.833 1154 T HA -0.029 4.321 4.350 0.000 0.000 0.269 1154 T C 1.723 176.400 174.700 -0.037 0.000 1.054 1154 T CA 1.449 63.523 62.100 -0.043 0.000 1.135 1154 T CB -0.265 68.585 68.868 -0.031 0.000 0.869 1154 T HN 0.320 nan 8.240 nan 0.000 0.466 1155 V N 1.047 120.933 119.914 -0.046 0.000 2.788 1155 V HA 0.014 4.134 4.120 0.000 0.000 0.251 1155 V C 2.195 178.271 176.094 -0.030 0.000 1.068 1155 V CA 1.031 63.311 62.300 -0.034 0.000 1.090 1155 V CB -0.398 31.404 31.823 -0.035 0.000 0.710 1155 V HN 0.504 nan 8.190 nan 0.000 0.467 1156 E N -0.098 120.077 120.200 -0.042 0.000 2.347 1156 E HA -0.154 4.196 4.350 0.000 0.000 0.196 1156 E C 1.506 178.090 176.600 -0.026 0.000 1.008 1156 E CA 0.732 57.112 56.400 -0.033 0.000 0.852 1156 E CB 0.030 29.701 29.700 -0.048 0.000 0.783 1156 E HN 0.576 nan 8.360 nan 0.000 0.505 1157 D N 0.509 120.894 120.400 -0.027 0.000 2.216 1157 D HA -0.020 4.620 4.640 0.000 0.000 0.208 1157 D C 1.478 177.769 176.300 -0.015 0.000 0.960 1157 D CA 0.697 54.684 54.000 -0.021 0.000 0.861 1157 D CB 0.254 41.041 40.800 -0.022 0.000 0.985 1157 D HN 0.065 nan 8.370 nan 0.000 0.493 1158 K N 0.248 120.639 120.400 -0.014 0.000 2.288 1158 K HA 0.052 4.372 4.320 0.000 0.000 0.201 1158 K C 2.077 178.673 176.600 -0.006 0.000 1.048 1158 K CA 0.341 56.623 56.287 -0.009 0.000 0.956 1158 K CB 0.507 33.002 32.500 -0.009 0.000 0.746 1158 K HN 0.112 nan 8.250 nan 0.000 0.461 1159 L N 0.184 121.403 121.223 -0.006 0.000 2.187 1159 L HA -0.010 4.330 4.340 0.000 0.000 0.197 1159 L C 2.111 178.980 176.870 -0.002 0.000 1.090 1159 L CA 0.731 55.571 54.840 -0.001 0.000 0.781 1159 L CB -0.182 41.879 42.059 0.004 0.000 0.956 1159 L HN 0.115 nan 8.230 nan 0.000 0.463 1160 L N -0.827 120.393 121.223 -0.005 0.000 2.240 1160 L HA 0.112 4.452 4.340 0.000 0.000 0.211 1160 L C 1.166 178.031 176.870 -0.007 0.000 1.106 1160 L CA 0.724 55.560 54.840 -0.006 0.000 0.793 1160 L CB -0.571 41.482 42.059 -0.010 0.000 0.927 1160 L HN 0.531 nan 8.230 nan 0.000 0.446 1161 G N -0.424 108.371 108.800 -0.008 0.000 2.378 1161 G HA2 -0.078 3.882 3.960 0.000 0.000 0.198 1161 G HA3 -0.078 3.882 3.960 0.000 0.000 0.198 1161 G C -1.015 173.880 174.900 -0.008 0.000 1.223 1161 G CA -0.441 44.654 45.100 -0.007 0.000 1.088 1161 G HN -0.106 nan 8.290 nan 0.000 0.530 1162 V N 0.992 120.902 119.914 -0.007 0.000 2.781 1162 V HA 0.513 4.633 4.120 0.000 0.000 0.289 1162 V C -1.942 174.149 176.094 -0.005 0.000 1.275 1162 V CA -0.751 61.545 62.300 -0.006 0.000 0.936 1162 V CB 2.017 33.836 31.823 -0.006 0.000 1.074 1162 V HN 0.843 nan 8.190 nan 0.000 0.444 1163 D N 3.880 124.277 120.400 -0.005 0.000 2.476 1163 D HA 0.684 5.324 4.640 0.000 0.000 0.251 1163 D C -0.141 176.156 176.300 -0.005 0.000 1.291 1163 D CA 0.013 54.010 54.000 -0.005 0.000 0.939 1163 D CB 2.222 43.019 40.800 -0.005 0.000 1.221 1163 D HN 0.782 nan 8.370 nan 0.000 0.567 1164 A N 2.411 125.229 122.820 -0.004 0.000 2.305 1164 A HA 0.646 4.966 4.320 0.000 0.000 0.322 1164 A C 0.107 177.689 177.584 -0.004 0.000 1.187 1164 A CA -0.499 51.536 52.037 -0.004 0.000 0.825 1164 A CB 1.443 20.441 19.000 -0.004 0.000 1.164 1164 A HN 0.406 nan 8.150 nan 0.000 0.498 1165 E N 0.075 120.273 120.200 -0.003 0.000 2.320 1165 E HA 0.706 5.056 4.350 0.000 0.000 0.264 1165 E C -1.218 175.380 176.600 -0.003 0.000 0.923 1165 E CA -0.699 55.699 56.400 -0.003 0.000 0.796 1165 E CB 2.131 31.829 29.700 -0.003 0.000 1.262 1165 E HN 0.581 nan 8.360 nan 0.000 0.428 1166 S N -0.278 115.421 115.700 -0.003 0.000 2.581 1166 S HA 0.292 4.762 4.470 0.000 0.000 0.306 1166 S C -0.760 173.839 174.600 -0.002 0.000 1.080 1166 S CA -0.445 57.754 58.200 -0.002 0.000 0.925 1166 S CB 0.899 64.097 63.200 -0.002 0.000 1.128 1166 S HN 0.636 nan 8.310 nan 0.000 0.451 1167 G N 3.182 111.981 108.800 -0.002 0.000 3.102 1167 G HA2 0.343 4.303 3.960 0.000 0.000 0.264 1167 G HA3 0.343 4.303 3.960 0.000 0.000 0.264 1167 G C 0.354 175.253 174.900 -0.002 0.000 0.788 1167 G CA -0.182 44.917 45.100 -0.002 0.000 2.029 1167 G HN 0.677 nan 8.290 nan 0.000 0.608 1168 K N -0.150 120.249 120.400 -0.002 0.000 2.618 1168 K HA 0.132 4.452 4.320 0.000 0.000 0.205 1168 K C -0.377 176.222 176.600 -0.002 0.000 1.445 1168 K CA -0.050 56.236 56.287 -0.002 0.000 1.034 1168 K CB 1.313 33.812 32.500 -0.002 0.000 1.209 1168 K HN 0.327 nan 8.250 nan 0.000 0.627 1169 T N -0.487 114.065 114.554 -0.002 0.000 2.927 1169 T HA 0.218 4.568 4.350 0.000 0.000 0.350 1169 T C -0.441 174.258 174.700 -0.002 0.000 1.746 1169 T CA -0.713 61.386 62.100 -0.002 0.000 1.081 1169 T CB 2.229 71.096 68.868 -0.002 0.000 1.551 1169 T HN -0.137 nan 8.240 nan 0.000 0.489 1170 K N 0.366 120.764 120.400 -0.002 0.000 2.378 1170 K HA 0.645 4.965 4.320 0.000 0.000 0.222 1170 K C 1.133 177.731 176.600 -0.003 0.000 1.178 1170 K CA 0.234 56.520 56.287 -0.002 0.000 0.827 1170 K CB 0.459 32.957 32.500 -0.002 0.000 1.412 1170 K HN 0.891 nan 8.250 nan 0.000 0.443 1171 G N 0.199 108.998 108.800 -0.002 0.000 2.253 1171 G HA2 0.261 4.221 3.960 0.000 0.000 0.190 1171 G HA3 0.261 4.221 3.960 0.000 0.000 0.190 1171 G C -0.854 174.044 174.900 -0.002 0.000 1.274 1171 G CA -0.549 44.549 45.100 -0.003 0.000 1.275 1171 G HN 0.661 nan 8.290 nan 0.000 0.518 1172 G N -1.648 107.151 108.800 -0.003 0.000 2.404 1172 G HA2 0.651 4.611 3.960 0.000 0.000 0.298 1172 G HA3 0.651 4.611 3.960 0.000 0.000 0.298 1172 G C -0.425 174.473 174.900 -0.003 0.000 1.577 1172 G CA 0.686 45.784 45.100 -0.002 0.000 0.847 1172 G HN 2.020 nan 8.290 nan 0.000 0.598 1173 G N 0.300 109.099 108.800 -0.002 0.000 3.565 1173 G HA2 0.518 4.478 3.960 0.000 0.000 0.346 1173 G HA3 0.518 4.478 3.960 0.000 0.000 0.346 1173 G C 0.432 175.333 174.900 0.001 0.000 1.363 1173 G CA 0.420 45.520 45.100 -0.001 0.000 1.134 1173 G HN 1.174 nan 8.290 nan 0.000 0.471 1174 S N 0.603 116.303 115.700 0.000 0.000 3.776 1174 S HA -0.167 4.303 4.470 0.000 0.000 0.453 1174 S C 1.717 176.319 174.600 0.002 0.000 1.121 1174 S CA 0.582 58.782 58.200 0.000 0.000 0.869 1174 S CB 0.371 63.571 63.200 0.000 0.000 0.648 1174 S HN 0.753 nan 8.310 nan 0.000 0.469 1175 Q N 2.416 122.217 119.800 0.001 0.000 2.062 1175 Q HA -0.009 4.331 4.340 0.000 0.000 0.196 1175 Q C 1.113 177.114 176.000 0.003 0.000 0.967 1175 Q CA 0.614 56.418 55.803 0.002 0.000 0.832 1175 Q CB -0.136 28.603 28.738 0.002 0.000 0.899 1175 Q HN 0.732 nan 8.270 nan 0.000 0.442 1176 S N 2.532 118.233 115.700 0.001 0.000 3.074 1176 S HA -0.058 4.412 4.470 0.000 0.000 0.359 1176 S C -1.450 173.152 174.600 0.002 0.000 1.207 1176 S CA -0.819 57.381 58.200 0.001 0.000 1.061 1176 S CB 0.536 63.735 63.200 -0.000 0.000 0.769 1176 S HN 0.129 nan 8.310 nan 0.000 0.512 1177 P HA -0.060 nan 4.420 nan 0.000 0.221 1177 P C 1.190 178.490 177.300 -0.000 0.000 1.145 1177 P CA 0.922 64.024 63.100 0.004 0.000 0.795 1177 P CB -0.009 31.693 31.700 0.004 0.000 0.775 1178 S N -0.102 115.596 115.700 -0.003 0.000 2.406 1178 S HA -0.061 4.409 4.470 0.000 0.000 0.228 1178 S C 1.824 176.417 174.600 -0.012 0.000 1.020 1178 S CA 0.455 58.650 58.200 -0.008 0.000 0.965 1178 S CB -0.962 62.234 63.200 -0.006 0.000 0.798 1178 S HN 0.078 nan 8.310 nan 0.000 0.488 1179 L N 1.469 122.688 121.223 -0.007 0.000 2.191 1179 L HA 0.042 4.382 4.340 0.000 0.000 0.212 1179 L C 1.881 178.746 176.870 -0.009 0.000 1.103 1179 L CA 1.203 56.038 54.840 -0.008 0.000 0.769 1179 L CB -0.448 41.609 42.059 -0.003 0.000 0.908 1179 L HN 0.269 nan 8.230 nan 0.000 0.438 1180 L N -1.276 119.946 121.223 -0.003 0.000 2.095 1180 L HA -0.076 4.264 4.340 0.000 0.000 0.204 1180 L C 2.139 178.992 176.870 -0.028 0.000 1.080 1180 L CA 1.597 56.442 54.840 0.008 0.000 0.759 1180 L CB -0.429 41.647 42.059 0.029 0.000 0.914 1180 L HN 0.231 nan 8.230 nan 0.000 0.439 1181 L N -0.568 120.629 121.223 -0.043 0.000 2.201 1181 L HA -0.155 4.185 4.340 0.000 0.000 0.212 1181 L C 2.473 179.272 176.870 -0.120 0.000 1.105 1181 L CA 1.230 56.017 54.840 -0.089 0.000 0.775 1181 L CB -0.443 41.584 42.059 -0.054 0.000 0.913 1181 L HN 0.432 nan 8.230 nan 0.000 0.440 1182 E N 0.465 120.621 120.200 -0.074 0.000 2.150 1182 E HA -0.243 4.107 4.350 0.000 0.000 0.193 1182 E C 2.166 178.718 176.600 -0.080 0.000 0.985 1182 E CA 0.679 57.044 56.400 -0.059 0.000 0.814 1182 E CB 0.100 29.784 29.700 -0.026 0.000 0.752 1182 E HN 0.313 nan 8.360 nan 0.000 0.466 1183 L N 1.141 122.308 121.223 -0.094 0.000 2.141 1183 L HA -0.099 4.241 4.340 0.000 0.000 0.209 1183 L C 2.351 179.075 176.870 -0.242 0.000 1.094 1183 L CA 1.594 56.382 54.840 -0.087 0.000 0.763 1183 L CB -0.278 41.782 42.059 0.001 0.000 0.908 1183 L HN -0.014 nan 8.230 nan 0.000 0.437 1184 R N -1.350 118.852 120.500 -0.497 0.000 2.090 1184 R HA -0.156 4.184 4.340 0.000 0.000 0.228 1184 R C 2.262 178.320 176.300 -0.402 0.000 1.110 1184 R CA 1.178 56.728 56.100 -0.917 0.000 0.973 1184 R CB -0.109 29.638 30.300 -0.921 0.000 0.869 1184 R HN 0.358 nan 8.270 nan 0.000 0.440 1185 Q N 0.719 120.392 119.800 -0.212 0.000 2.123 1185 Q HA 0.028 4.368 4.340 0.000 0.000 0.199 1185 Q C 1.852 177.861 176.000 0.016 0.000 0.966 1185 Q CA 1.375 57.127 55.803 -0.085 0.000 0.845 1185 Q CB -0.021 28.691 28.738 -0.044 0.000 0.907 1185 Q HN 0.422 nan 8.270 nan 0.000 0.439 1186 I N 0.727 121.321 120.570 0.039 0.000 2.423 1186 I HA -0.264 3.906 4.170 0.000 0.000 0.254 1186 I C 1.080 177.341 176.117 0.241 0.000 1.151 1186 I CA 1.166 62.565 61.300 0.164 0.000 1.421 1186 I CB -0.212 37.835 38.000 0.078 0.000 1.079 1186 I HN 0.205 nan 8.210 nan 0.000 0.431 1187 D N 0.780 121.263 120.400 0.138 0.000 2.213 1187 D HA -0.009 4.631 4.640 0.000 0.000 0.205 1187 D C 2.241 178.589 176.300 0.081 0.000 0.961 1187 D CA 1.183 55.279 54.000 0.161 0.000 0.853 1187 D CB 0.114 41.013 40.800 0.164 0.000 0.967 1187 D HN 0.302 nan 8.370 nan 0.000 0.496 1188 A N 1.267 124.095 122.820 0.013 0.000 1.872 1188 A HA -0.138 4.182 4.320 0.000 0.000 0.214 1188 A C 1.844 179.508 177.584 0.133 0.000 1.187 1188 A CA 1.296 53.296 52.037 -0.061 0.000 0.614 1188 A CB -0.245 18.635 19.000 -0.199 0.000 0.826 1188 A HN -0.030 nan 8.150 nan 0.000 0.442 1189 D N -0.386 120.102 120.400 0.148 0.000 2.078 1189 D HA -0.127 4.513 4.640 0.000 0.000 0.193 1189 D C 1.441 177.803 176.300 0.103 0.000 0.990 1189 D CA 1.194 55.277 54.000 0.138 0.000 0.827 1189 D CB -0.608 40.268 40.800 0.126 0.000 0.975 1189 D HN 0.389 nan 8.370 nan 0.000 0.451 1190 F N 0.196 120.132 119.950 -0.024 0.000 2.529 1190 F HA -0.111 4.416 4.527 0.000 0.000 0.297 1190 F C 2.214 177.920 175.800 -0.157 0.000 1.114 1190 F CA 0.630 58.561 58.000 -0.114 0.000 1.467 1190 F CB -0.074 38.790 39.000 -0.227 0.000 1.096 1190 F HN -0.031 nan 8.300 nan 0.000 0.586 1191 M N -1.790 117.854 119.600 0.074 0.000 2.534 1191 M HA 0.063 4.543 4.480 0.000 0.000 0.263 1191 M C 2.049 178.354 176.300 0.008 0.000 1.152 1191 M CA 0.681 56.002 55.300 0.035 0.000 1.145 1191 M CB -0.747 31.916 32.600 0.105 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.864 122.109 121.223 0.037 0.000 2.131 1192 L HA -0.041 4.299 4.340 0.000 0.000 0.206 1192 L C 1.974 178.761 176.870 -0.138 0.000 1.087 1192 L CA 1.850 56.633 54.840 -0.095 0.000 0.767 1192 L CB -0.516 41.495 42.059 -0.079 0.000 0.917 1192 L HN 0.127 nan 8.230 nan 0.000 0.441 1193 K N -1.062 119.241 120.400 -0.163 0.000 2.280 1193 K HA -0.080 4.240 4.320 0.000 0.000 0.202 1193 K C 1.763 178.206 176.600 -0.263 0.000 1.047 1193 K CA 1.264 57.415 56.287 -0.226 0.000 0.942 1193 K CB -0.102 32.193 32.500 -0.341 0.000 0.739 1193 K HN 0.284 nan 8.250 nan 0.000 0.457 1194 V N 0.927 120.672 119.914 -0.280 0.000 2.878 1194 V HA -0.097 4.023 4.120 0.000 0.000 0.250 1194 V C 1.959 177.907 176.094 -0.242 0.000 1.075 1194 V CA 1.153 63.212 62.300 -0.401 0.000 1.096 1194 V CB -0.174 31.414 31.823 -0.392 0.000 0.724 1194 V HN 0.259 nan 8.190 nan 0.000 0.467 1195 E N 0.566 120.668 120.200 -0.163 0.000 2.015 1195 E HA -0.148 4.202 4.350 0.000 0.000 0.191 1195 E C 2.256 178.805 176.600 -0.085 0.000 0.991 1195 E CA 1.390 57.723 56.400 -0.111 0.000 0.802 1195 E CB -0.155 29.473 29.700 -0.121 0.000 0.759 1195 E HN 0.478 nan 8.360 nan 0.000 0.447 1196 L N 0.638 121.805 121.223 -0.094 0.000 1.970 1196 L HA -0.216 4.124 4.340 0.000 0.000 0.212 1196 L C 2.726 179.589 176.870 -0.011 0.000 1.071 1196 L CA 1.243 56.049 54.840 -0.056 0.000 0.751 1196 L CB -0.796 41.217 42.059 -0.077 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.432 123.228 122.820 -0.040 0.000 1.958 1197 A HA -0.266 4.054 4.320 0.000 0.000 0.221 1197 A C 2.405 180.056 177.584 0.112 0.000 1.178 1197 A CA 2.688 54.751 52.037 0.044 0.000 0.642 1197 A CB -1.055 17.941 19.000 -0.007 0.000 0.816 1197 A HN 0.622 nan 8.150 nan 0.000 0.453 1198 T N -4.386 110.202 114.554 0.057 0.000 2.978 1198 T HA -0.040 4.310 4.350 0.000 0.000 0.262 1198 T C 1.770 176.490 174.700 0.032 0.000 1.063 1198 T CA 1.622 63.767 62.100 0.075 0.000 1.140 1198 T CB -0.664 68.237 68.868 0.055 0.000 0.886 1198 T HN 0.309 nan 8.240 nan 0.000 0.470 1199 T N 1.154 115.725 114.554 0.028 0.000 2.737 1199 T HA -0.104 4.246 4.350 0.000 0.000 0.265 1199 T C 1.757 176.483 174.700 0.044 0.000 1.038 1199 T CA 1.798 63.912 62.100 0.023 0.000 1.144 1199 T CB -0.557 68.322 68.868 0.018 0.000 0.866 1199 T HN 0.679 nan 8.240 nan 0.000 0.434 1200 H N 0.707 119.769 119.070 -0.014 0.000 2.389 1200 H HA 0.090 4.646 4.556 0.000 0.000 0.299 1200 H C 1.945 177.267 175.328 -0.010 0.000 1.081 1200 H CA 0.906 56.949 56.048 -0.009 0.000 1.345 1200 H CB -0.516 29.242 29.762 -0.006 0.000 1.393 1200 H HN 0.150 nan 8.280 nan 0.000 0.520 1201 L N -0.008 121.158 121.223 -0.095 0.000 2.265 1201 L HA -0.083 4.258 4.340 0.000 0.000 0.215 1201 L C 2.083 178.845 176.870 -0.180 0.000 1.117 1201 L CA 1.353 56.097 54.840 -0.161 0.000 0.782 1201 L CB -0.604 41.427 42.059 -0.046 0.000 0.914 1201 L HN 0.238 nan 8.230 nan 0.000 0.441 1202 S N -1.365 114.262 115.700 -0.123 0.000 2.345 1202 S HA -0.149 4.321 4.470 0.000 0.000 0.219 1202 S C 1.783 176.318 174.600 -0.109 0.000 1.031 1202 S CA 1.602 59.743 58.200 -0.100 0.000 0.984 1202 S CB -0.519 62.649 63.200 -0.053 0.000 0.874 1202 S HN 0.528 nan 8.310 nan 0.000 0.451 1203 T N 2.616 117.100 114.554 -0.116 0.000 2.597 1203 T HA -0.206 4.144 4.350 0.000 0.000 0.267 1203 T C 1.874 176.496 174.700 -0.130 0.000 1.053 1203 T CA 1.882 63.922 62.100 -0.101 0.000 1.165 1203 T CB -0.445 68.370 68.868 -0.088 0.000 0.863 1203 T HN 0.192 nan 8.240 nan 0.000 0.427 1204 M N 1.051 120.498 119.600 -0.255 0.000 2.073 1204 M HA -0.104 4.376 4.480 0.000 0.000 0.258 1204 M C 2.188 178.427 176.300 -0.102 0.000 1.070 1204 M CA 1.475 56.653 55.300 -0.203 0.000 1.103 1204 M CB -0.797 31.622 32.600 -0.301 0.000 1.321 1204 M HN 0.104 nan 8.290 nan 0.000 0.405 1205 V N 0.235 120.062 119.914 -0.144 0.000 2.343 1205 V HA -0.288 3.832 4.120 0.000 0.000 0.247 1205 V C 2.405 178.524 176.094 0.041 0.000 1.051 1205 V CA 2.057 64.292 62.300 -0.109 0.000 1.036 1205 V CB -0.817 30.854 31.823 -0.254 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.067 120.573 120.500 0.010 0.000 2.096 1206 R HA -0.125 4.215 4.340 0.000 0.000 0.235 1206 R C 2.415 178.760 176.300 0.074 0.000 1.127 1206 R CA 1.434 57.564 56.100 0.050 0.000 0.968 1206 R CB -0.582 29.731 30.300 0.022 0.000 0.861 1206 R HN 0.556 nan 8.270 nan 0.000 0.440 1207 A N 0.883 123.736 122.820 0.055 0.000 1.855 1207 A HA -0.108 4.212 4.320 0.000 0.000 0.215 1207 A C 2.373 180.026 177.584 0.115 0.000 1.191 1207 A CA 1.411 53.490 52.037 0.070 0.000 0.613 1207 A CB -0.605 18.423 19.000 0.046 0.000 0.829 1207 A HN 0.106 nan 8.150 nan 0.000 0.442 1208 V N 0.521 120.521 119.914 0.143 0.000 2.469 1208 V HA -0.287 3.833 4.120 0.000 0.000 0.251 1208 V C 2.380 178.615 176.094 0.236 0.000 1.064 1208 V CA 1.947 64.372 62.300 0.208 0.000 1.066 1208 V CB -0.861 31.138 31.823 0.293 0.000 0.667 1208 V HN 0.551 nan 8.190 nan 0.000 0.461 1209 I N 0.706 121.412 120.570 0.228 0.000 2.142 1209 I HA -0.248 3.922 4.170 0.000 0.000 0.240 1209 I C 2.489 178.733 176.117 0.210 0.000 1.078 1209 I CA 2.189 63.612 61.300 0.205 0.000 1.343 1209 I CB -0.591 37.518 38.000 0.181 0.000 1.046 1209 I HN 0.425 nan 8.210 nan 0.000 0.405 1210 N N 1.506 120.305 118.700 0.165 0.000 2.043 1210 N HA -0.198 4.542 4.740 0.000 0.000 0.193 1210 N C 1.869 177.474 175.510 0.157 0.000 1.037 1210 N CA 2.014 55.151 53.050 0.144 0.000 0.851 1210 N CB -0.213 38.337 38.487 0.105 0.000 1.027 1210 N HN 0.296 nan 8.380 nan 0.000 0.422 1211 A N -0.959 121.953 122.820 0.153 0.000 1.948 1211 A HA -0.190 4.130 4.320 0.000 0.000 0.220 1211 A C 2.230 179.918 177.584 0.173 0.000 1.177 1211 A CA 1.619 53.740 52.037 0.141 0.000 0.636 1211 A CB -1.222 17.858 19.000 0.134 0.000 0.815 1211 A HN 0.669 nan 8.150 nan 0.000 0.449 1212 Y N 0.085 120.451 120.300 0.109 0.000 2.176 1212 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 1212 Y C 1.915 177.931 175.900 0.193 0.000 1.122 1212 Y CA 1.562 59.738 58.100 0.127 0.000 1.128 1212 Y CB -0.246 38.266 38.460 0.086 0.000 1.005 1212 Y HN 0.165 nan 8.280 nan 0.000 0.509 1213 L N 0.076 121.519 121.223 0.366 0.000 2.261 1213 L HA -0.246 4.094 4.340 0.000 0.000 0.216 1213 L C 2.026 179.072 176.870 0.294 0.000 1.114 1213 L CA 0.987 56.005 54.840 0.297 0.000 0.777 1213 L CB -0.464 41.746 42.059 0.251 0.000 0.910 1213 L HN 0.394 nan 8.230 nan 0.000 0.440 1214 L N -0.985 120.339 121.223 0.168 0.000 2.130 1214 L HA -0.019 4.321 4.340 0.000 0.000 0.200 1214 L C 1.740 178.594 176.870 -0.026 0.000 1.075 1214 L CA 0.727 55.620 54.840 0.088 0.000 0.768 1214 L CB -0.332 41.760 42.059 0.054 0.000 0.933 1214 L HN 0.288 nan 8.230 nan 0.000 0.451 1215 N N 0.209 118.874 118.700 -0.059 0.000 2.398 1215 N HA -0.092 4.648 4.740 0.000 0.000 0.188 1215 N C 1.636 176.992 175.510 -0.258 0.000 1.122 1215 N CA 0.337 53.295 53.050 -0.153 0.000 0.866 1215 N CB 0.090 38.526 38.487 -0.085 0.000 0.970 1215 N HN 0.564 nan 8.380 nan 0.000 0.462 1216 W N 2.391 123.458 121.300 -0.388 0.000 2.325 1216 W HA -0.142 4.518 4.660 0.000 0.000 0.299 1216 W C 1.074 177.428 176.519 -0.275 0.000 1.215 1216 W CA 0.513 57.549 57.345 -0.515 0.000 1.244 1216 W CB -0.785 28.225 29.460 -0.751 0.000 1.140 1216 W HN -0.030 nan 8.180 nan 0.000 0.523 1217 K N 0.692 120.333 120.400 -1.266 0.000 2.032 1217 K HA -0.170 4.150 4.320 0.000 0.000 0.209 1217 K C 2.144 178.466 176.600 -0.464 0.000 1.048 1217 K CA 1.778 57.421 56.287 -1.073 0.000 0.927 1217 K CB -0.281 31.579 32.500 -1.066 0.000 0.712 1217 K HN -0.080 nan 8.250 nan 0.000 0.441 1218 K N 1.037 121.223 120.400 -0.358 0.000 2.211 1218 K HA -0.043 4.277 4.320 0.000 0.000 0.203 1218 K C 2.078 178.594 176.600 -0.140 0.000 1.050 1218 K CA 0.822 56.986 56.287 -0.205 0.000 0.945 1218 K CB -0.172 32.230 32.500 -0.163 0.000 0.732 1218 K HN 0.213 nan 8.250 nan 0.000 0.451 1219 L N 0.398 121.540 121.223 -0.135 0.000 2.093 1219 L HA -0.134 4.206 4.340 0.000 0.000 0.208 1219 L C 2.112 178.965 176.870 -0.028 0.000 1.085 1219 L CA 0.763 55.565 54.840 -0.064 0.000 0.755 1219 L CB -0.299 41.734 42.059 -0.043 0.000 0.904 1219 L HN 0.065 nan 8.230 nan 0.000 0.435 1220 I N -1.204 119.354 120.570 -0.021 0.000 2.494 1220 I HA -0.058 4.112 4.170 0.000 0.000 0.250 1220 I C 0.993 177.098 176.117 -0.021 0.000 1.112 1220 I CA 0.905 62.214 61.300 0.016 0.000 1.438 1220 I CB -0.441 37.606 38.000 0.079 0.000 1.111 1220 I HN 0.256 nan 8.210 nan 0.000 0.431 1221 Q N 2.055 121.816 119.800 -0.065 0.000 2.706 1221 Q HA 0.237 4.577 4.340 0.000 0.000 0.250 1221 Q C -1.613 174.341 176.000 -0.076 0.000 1.120 1221 Q CA -1.661 54.102 55.803 -0.067 0.000 0.972 1221 Q CB 1.198 29.885 28.738 -0.086 0.000 1.173 1221 Q HN 0.266 nan 8.270 nan 0.000 0.522 1222 P HA -0.128 nan 4.420 nan 0.000 0.218 1222 P C -0.052 177.218 177.300 -0.050 0.000 1.149 1222 P CA 0.929 63.996 63.100 -0.055 0.000 0.817 1222 P CB 0.709 32.383 31.700 -0.043 0.000 0.785 1223 R N -0.436 120.037 120.500 -0.045 0.000 2.628 1223 R HA 0.425 4.765 4.340 0.000 0.000 0.288 1223 R C -0.367 175.906 176.300 -0.044 0.000 0.980 1223 R CA -0.402 55.673 56.100 -0.042 0.000 0.891 1223 R CB 1.832 32.111 30.300 -0.035 0.000 1.188 1223 R HN -0.070 nan 8.270 nan 0.000 0.450 1224 T N -0.663 113.864 114.554 -0.045 0.000 3.053 1224 T HA 0.372 4.722 4.350 0.000 0.000 0.363 1224 T C 0.585 175.258 174.700 -0.045 0.000 1.239 1224 T CA -0.829 61.246 62.100 -0.042 0.000 1.071 1224 T CB 1.150 69.994 68.868 -0.040 0.000 1.089 1224 T HN 0.658 nan 8.240 nan 0.000 0.527 1225 G N 1.968 110.739 108.800 -0.048 0.000 2.414 1225 G HA2 0.423 4.383 3.960 0.000 0.000 0.236 1225 G HA3 0.423 4.383 3.960 0.000 0.000 0.236 1225 G C 0.109 174.950 174.900 -0.098 0.000 1.293 1225 G CA -0.238 44.821 45.100 -0.068 0.000 0.869 1225 G HN 1.669 nan 8.290 nan 0.000 0.556 1226 S N 0.349 115.940 115.700 -0.181 0.000 2.465 1226 S HA 0.144 4.614 4.470 0.000 0.000 0.186 1226 S C -1.451 172.776 174.600 -0.622 0.000 0.839 1226 S CA -0.954 57.001 58.200 -0.407 0.000 1.037 1226 S CB 0.786 63.831 63.200 -0.259 0.000 1.407 1226 S HN 0.403 nan 8.310 nan 0.000 0.396 1227 D N 2.785 122.905 120.400 -0.467 0.000 2.500 1227 D HA 0.346 4.986 4.640 0.000 0.000 0.219 1227 D C 0.847 176.979 176.300 -0.280 0.000 1.137 1227 D CA -0.405 53.411 54.000 -0.305 0.000 0.946 1227 D CB 0.327 41.040 40.800 -0.145 0.000 1.022 1227 D HN 0.559 nan 8.370 nan 0.000 0.518 1228 H N 1.179 120.241 119.070 -0.012 0.000 2.582 1228 H HA 0.149 4.705 4.556 0.000 0.000 0.269 1228 H C 1.519 176.841 175.328 -0.010 0.000 0.962 1228 H CA 0.468 56.509 56.048 -0.011 0.000 1.230 1228 H CB 0.343 30.098 29.762 -0.012 0.000 1.445 1228 H HN 0.352 nan 8.280 nan 0.000 0.528 1229 M N 0.624 120.266 119.600 0.070 0.000 2.134 1229 M HA 0.011 4.491 4.480 0.000 0.000 0.262 1229 M C 0.768 177.078 176.300 0.017 0.000 1.076 1229 M CA 0.612 55.935 55.300 0.039 0.000 1.143 1229 M CB 0.198 32.810 32.600 0.020 0.000 1.346 1229 M HN -0.179 nan 8.290 nan 0.000 0.421 1230 V N 1.531 121.444 119.914 -0.003 0.000 2.775 1230 V HA 0.315 4.435 4.120 0.000 0.000 0.299 1230 V C 0.259 176.352 176.094 -0.002 0.000 1.062 1230 V CA -0.291 62.005 62.300 -0.007 0.000 1.063 1230 V CB 0.731 32.542 31.823 -0.020 0.000 0.994 1230 V HN 0.606 nan 8.190 nan 0.000 0.483 1231 S N 0.000 115.700 115.700 -0.000 0.000 2.498 1231 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1231 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.011 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517