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_l 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 0.060 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 63.745 63.100 0.005 0.000 0.793 1003 P CB 0.985 32.688 31.700 0.005 0.000 0.851 1004 K N 0.570 120.974 120.400 0.007 0.000 2.137 1004 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 1004 K C 2.281 178.886 176.600 0.008 0.000 1.052 1004 K CA 0.415 56.707 56.287 0.008 0.000 0.961 1004 K CB 0.060 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 0.061 120.566 120.500 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 1.126 57.231 56.100 0.008 0.000 0.983 1005 R CB -0.167 30.137 30.300 0.007 0.000 0.874 1005 R HN 0.194 nan 8.270 nan 0.000 0.451 1006 A N 1.039 123.864 122.820 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 1.299 53.341 52.037 0.009 0.000 0.628 1006 A CB -0.468 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 2.148 179.742 177.584 0.015 0.000 1.195 1007 A CA 1.526 53.571 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 -0.479 120.753 121.223 0.014 0.000 1.997 1008 L HA -0.267 4.073 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 1.810 56.660 54.840 0.016 0.000 0.763 1008 L CB -0.630 41.437 42.059 0.013 0.000 0.890 1008 L HN 0.412 nan 8.230 nan 0.000 0.434 1009 I N -0.872 119.707 120.570 0.015 0.000 2.361 1009 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 1009 I C 2.629 178.758 176.117 0.021 0.000 1.133 1009 I CA 0.905 62.214 61.300 0.015 0.000 1.413 1009 I CB -0.191 37.816 38.000 0.012 0.000 1.073 1009 I HN 0.358 nan 8.210 nan 0.000 0.424 1010 Q N 1.541 121.354 119.800 0.021 0.000 2.016 1010 Q HA -0.165 4.175 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 57.593 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 0.153 118.873 118.700 0.032 0.000 2.149 1011 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 1011 N C 1.787 177.332 175.510 0.059 0.000 1.019 1011 N CA 1.106 54.180 53.050 0.040 0.000 0.857 1011 N CB -0.363 38.145 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 -0.140 4.200 4.340 -0.000 0.000 0.211 1012 L C 2.249 179.178 176.870 0.098 0.000 1.071 1012 L CA 1.401 56.281 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 -0.553 119.990 120.500 0.072 0.000 2.316 1013 R HA -0.088 4.252 4.340 -0.000 0.000 0.202 1013 R C 1.280 177.634 176.300 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 1.416 177.750 176.300 0.056 0.000 0.974 1014 D CA 0.760 54.794 54.000 0.057 0.000 0.871 1014 D CB 0.332 41.155 40.800 0.039 0.000 0.947 1014 D HN 0.011 nan 8.370 nan 0.000 0.516 1015 S N -0.151 115.612 115.700 0.105 0.000 2.406 1015 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 1015 S C 0.255 174.840 174.600 -0.025 0.000 1.020 1015 S CA 0.594 58.842 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 0.239 nan 8.310 nan 0.000 0.488 1016 Y N 2.260 122.565 120.300 0.008 0.000 2.787 1016 Y HA 0.321 4.871 4.550 -0.000 0.000 0.352 1016 Y C 0.760 176.669 175.900 0.016 0.000 1.027 1016 Y CA -1.309 56.795 58.100 0.007 0.000 1.219 1016 Y CB -0.025 38.439 38.460 0.006 0.000 1.110 1016 Y HN 0.072 nan 8.280 nan 0.000 0.614 1017 T N -3.239 111.371 114.554 0.093 0.000 2.771 1017 T HA 0.091 4.441 4.350 -0.000 0.000 0.290 1017 T C 1.271 176.027 174.700 0.094 0.000 1.005 1017 T CA -0.486 61.663 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 1.976 178.635 176.600 0.099 0.000 0.989 1018 E CA 1.205 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 0.366 114.957 114.554 0.061 0.000 2.788 1019 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 1019 T C 2.017 176.733 174.700 0.027 0.000 1.044 1019 T CA 1.362 63.501 62.100 0.065 0.000 1.139 1019 T CB -0.122 68.764 68.868 0.029 0.000 0.867 1019 T HN 0.107 nan 8.240 nan 0.000 0.454 1020 S N 1.895 117.591 115.700 -0.006 0.000 2.356 1020 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 1020 S C 2.530 177.077 174.600 -0.089 0.000 1.032 1020 S CA 1.528 59.690 58.200 -0.063 0.000 1.005 1020 S CB -0.451 62.706 63.200 -0.073 0.000 0.867 1020 S HN 0.762 nan 8.310 nan 0.000 0.449 1021 S N 1.117 116.789 115.700 -0.047 0.000 2.436 1021 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 1021 S C 1.620 176.043 174.600 -0.295 0.000 1.014 1021 S CA 0.442 58.543 58.200 -0.165 0.000 0.950 1021 S CB -0.615 62.549 63.200 -0.060 0.000 0.784 1021 S HN 0.421 nan 8.310 nan 0.000 0.504 1022 F N 3.224 123.002 119.950 -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 0.181 57.990 58.000 -0.319 0.000 1.340 1022 F CB -0.998 37.882 39.000 -0.200 0.000 1.031 1022 F HN 0.280 nan 8.300 nan 0.000 0.500 1023 A N -0.043 122.546 122.820 -0.385 0.000 1.902 1023 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 1023 A C 2.323 179.622 177.584 -0.475 0.000 1.181 1023 A CA 1.981 53.751 52.037 -0.446 0.000 0.623 1023 A CB -1.378 17.469 19.000 -0.256 0.000 0.818 1023 A HN 0.236 nan 8.150 nan 0.000 0.443 1024 V N 0.582 120.202 119.914 -0.491 0.000 2.407 1024 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 1024 V C 2.377 177.897 176.094 -0.956 0.000 1.055 1024 V CA 1.667 63.570 62.300 -0.662 0.000 1.049 1024 V CB -0.701 30.689 31.823 -0.721 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.023 120.095 120.570 -0.830 0.000 2.353 1025 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 1025 I C 2.503 178.378 176.117 -0.404 0.000 1.119 1025 I CA 1.399 62.310 61.300 -0.649 0.000 1.417 1025 I CB -1.144 36.561 38.000 -0.492 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 -0.531 0.000 2.077 1026 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 1026 E C 2.022 178.503 176.600 -0.199 0.000 0.989 1026 E CA 1.241 57.405 56.400 -0.393 0.000 0.800 1026 E CB -0.025 29.350 29.700 -0.542 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 1.520 178.207 176.600 0.145 0.000 0.997 1027 E CA 1.341 57.719 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 0.543 121.769 121.300 -0.124 0.000 2.425 1028 W HA 0.146 4.806 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 0.908 58.198 57.345 -0.092 0.000 1.248 1028 W CB -1.237 28.168 29.460 -0.092 0.000 1.117 1028 W HN 0.251 nan 8.180 nan 0.000 0.568 1029 A N 0.027 122.927 122.820 0.134 0.000 1.902 1029 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 1029 A C 2.109 179.715 177.584 0.037 0.000 1.181 1029 A CA 2.766 54.841 52.037 0.063 0.000 0.623 1029 A CB -0.831 18.174 19.000 0.008 0.000 0.818 1029 A HN 0.121 nan 8.150 nan 0.000 0.443 1030 A N -1.511 121.320 122.820 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 53.140 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 0.739 nan 8.150 nan 0.000 0.595 1031 G N -0.295 108.509 108.800 0.006 0.000 2.672 1031 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 1031 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 1031 G C 1.496 176.398 174.900 0.004 0.000 1.238 1031 G CA 2.172 47.275 45.100 0.004 0.000 0.791 1031 G HN 0.456 nan 8.290 nan 0.000 0.606 1032 T N 1.067 115.635 114.554 0.024 0.000 2.803 1032 T HA -0.028 4.322 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 -0.130 68.707 68.868 -0.051 0.000 0.864 1032 T HN 0.130 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 41.669 42.059 -0.011 0.000 0.906 1033 L HN 0.306 nan 8.230 nan 0.000 0.436 1034 Q N -0.576 119.214 119.800 -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 1.456 57.252 55.803 -0.012 0.000 0.858 1034 Q CB -0.018 28.715 28.738 -0.008 0.000 0.907 1034 Q HN 0.288 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 1.629 178.220 176.600 -0.015 0.000 0.989 1035 E CA 1.188 57.576 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 2.522 178.636 176.117 -0.004 0.000 1.102 1036 I CA 1.571 62.861 61.300 -0.017 0.000 1.385 1036 I CB -0.376 37.597 38.000 -0.045 0.000 1.064 1036 I HN 0.263 nan 8.210 nan 0.000 0.414 1037 E N 1.296 121.488 120.200 -0.012 0.000 2.265 1037 E HA -0.158 4.192 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 29.603 29.700 -0.009 0.000 0.756 1037 E HN 0.481 nan 8.360 nan 0.000 0.491 1038 G N 1.095 109.894 108.800 -0.001 0.000 2.394 1038 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 1038 G HA3 -0.171 3.789 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 0.262 nan 8.290 nan 0.000 0.533 1039 I N 1.584 122.164 120.570 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 0.548 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 2.215 125.037 122.820 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 -0.014 0.000 0.616 1040 A CB -0.472 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 -0.598 119.796 120.400 -0.010 0.000 2.365 1041 K HA 0.321 4.641 4.320 -0.000 0.000 0.197 1041 K C 1.874 178.474 176.600 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 1.917 124.738 122.820 0.001 0.000 1.933 1042 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 1042 A C 2.340 179.927 177.584 0.006 0.000 1.175 1042 A CA 1.682 53.723 52.037 0.006 0.000 0.628 1042 A CB -0.511 18.494 19.000 0.009 0.000 0.814 1042 A HN 0.470 nan 8.150 nan 0.000 0.444 1043 A N -1.210 121.607 122.820 -0.005 0.000 2.238 1043 A HA 0.566 4.886 4.320 -0.000 0.000 0.210 1043 A C 2.129 179.724 177.584 0.018 0.000 1.179 1043 A CA 1.103 53.138 52.037 -0.004 0.000 0.827 1043 A CB -0.447 18.527 19.000 -0.043 0.000 0.856 1043 A HN 0.781 nan 8.150 nan 0.000 0.488 1044 A N 1.238 124.061 122.820 0.005 0.000 1.898 1044 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1044 A C 1.922 179.537 177.584 0.051 0.000 1.183 1044 A CA 1.411 53.450 52.037 0.005 0.000 0.622 1044 A CB -0.436 18.554 19.000 -0.015 0.000 0.824 1044 A HN 0.682 nan 8.150 nan 0.000 0.444 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 1.817 178.451 176.600 0.057 0.000 0.988 1045 E CA 0.752 57.180 56.400 0.046 0.000 0.834 1045 E CB -0.301 29.415 29.700 0.028 0.000 0.772 1045 E HN 0.431 nan 8.360 nan 0.000 0.479 1046 A N 1.698 124.552 122.820 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 1.356 53.425 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 -0.407 118.664 119.070 0.002 0.000 2.482 1047 H HA 0.020 4.576 4.556 -0.000 0.000 0.286 1047 H C 2.091 177.427 175.328 0.013 0.000 1.017 1047 H CA 1.356 57.407 56.048 0.005 0.000 1.322 1047 H CB -0.183 29.573 29.762 -0.010 0.000 1.426 1047 H HN 0.398 nan 8.280 nan 0.000 0.546 1048 G N 0.446 109.336 108.800 0.150 0.000 2.421 1048 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 1048 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 1048 G C 1.831 176.750 174.900 0.031 0.000 1.143 1048 G CA 0.764 45.922 45.100 0.098 0.000 0.784 1048 G HN 0.305 nan 8.290 nan 0.000 0.541 1049 V N 1.515 121.445 119.914 0.027 0.000 2.261 1049 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 1049 V C 2.754 178.860 176.094 0.020 0.000 1.047 1049 V CA 1.556 63.869 62.300 0.022 0.000 1.015 1049 V CB -0.445 31.394 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.061 120.511 120.570 0.002 0.000 2.567 1050 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 1050 I C 2.652 178.757 176.117 -0.019 0.000 1.184 1050 I CA 1.489 62.806 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 1.446 121.898 120.500 -0.080 0.000 2.148 1051 R HA -0.058 4.282 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 1.049 57.110 56.100 -0.064 0.000 0.985 1051 R CB 0.081 30.349 30.300 -0.053 0.000 0.880 1051 R HN 0.350 nan 8.270 nan 0.000 0.451 1052 N N 0.536 119.245 118.700 0.016 0.000 2.380 1052 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 1052 N C -1.104 174.429 175.510 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 -0.521 115.221 115.700 0.071 0.000 2.599 1053 S HA 0.528 4.998 4.470 -0.000 0.000 0.294 1053 S C -0.128 174.560 174.600 0.147 0.000 1.094 1053 S CA -0.530 57.726 58.200 0.094 0.000 0.931 1053 S CB 2.384 65.655 63.200 0.119 0.000 1.093 1053 S HN -0.008 nan 8.310 nan 0.000 0.488 1054 T N 2.563 117.183 114.554 0.110 0.000 2.770 1054 T HA 0.445 4.795 4.350 -0.000 0.000 0.283 1054 T C -1.277 173.512 174.700 0.148 0.000 0.988 1054 T CA -0.228 61.951 62.100 0.132 0.000 0.957 1054 T CB 0.159 69.064 68.868 0.060 0.000 0.930 1054 T HN 0.386 nan 8.240 nan 0.000 0.443 1055 Y N 1.792 122.087 120.300 -0.008 0.000 2.316 1055 Y HA 0.592 5.142 4.550 -0.000 0.000 0.331 1055 Y C 0.951 176.847 175.900 -0.007 0.000 1.083 1055 Y CA -0.144 57.952 58.100 -0.008 0.000 1.206 1055 Y CB 1.195 39.651 38.460 -0.008 0.000 1.195 1055 Y HN 0.839 nan 8.280 nan 0.000 0.497 1056 G N 2.226 111.054 108.800 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 0.211 175.122 174.900 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 -0.384 120.123 120.500 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 1.339 57.443 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 1.197 123.999 122.820 -0.030 0.000 1.940 1058 A HA -0.222 4.098 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 1.345 53.354 52.037 -0.047 0.000 0.631 1058 A CB -0.221 18.744 19.000 -0.058 0.000 0.814 1058 A HN 0.240 nan 8.150 nan 0.000 0.446 1059 Q N -0.787 118.955 119.800 -0.098 0.000 2.472 1059 Q HA 0.322 4.662 4.340 -0.000 0.000 0.208 1059 Q C 1.702 177.685 176.000 -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 -0.369 0.000 1.007 1059 Q HN 0.647 nan 8.270 nan 0.000 0.508 1060 A N 0.234 123.053 122.820 -0.001 0.000 2.238 1060 A HA 0.034 4.354 4.320 -0.000 0.000 0.210 1060 A C 0.967 178.545 177.584 -0.010 0.000 1.179 1060 A CA 0.160 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 -0.159 120.030 120.200 -0.019 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.217 176.368 176.600 -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 29.911 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 0.212 4.532 4.320 -0.000 0.000 0.273 1062 K C -1.603 174.987 176.600 -0.018 0.000 0.957 1062 K CA -0.409 55.864 56.287 -0.023 0.000 0.861 1062 K CB 1.815 34.300 32.500 -0.025 0.000 1.405 1062 K HN -0.140 nan 8.250 nan 0.000 0.406 1063 S N 3.911 119.604 115.700 -0.011 0.000 2.438 1063 S HA 0.336 4.806 4.470 -0.000 0.000 0.293 1063 S C -2.458 172.163 174.600 0.034 0.000 1.141 1063 S CA -1.130 57.072 58.200 0.004 0.000 1.080 1063 S CB 1.095 64.288 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 0.149 177.490 177.300 0.068 0.000 1.186 1064 P CA 0.253 63.389 63.100 0.061 0.000 0.868 1064 P CB 0.331 32.086 31.700 0.092 0.000 0.856 1065 E N 2.152 122.377 120.200 0.042 0.000 2.204 1065 E HA -0.238 4.112 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 0.928 57.352 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 0.824 120.643 119.800 0.033 0.000 2.119 1066 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 1066 Q C 2.147 178.163 176.000 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 0.320 121.563 121.223 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 0.951 55.837 54.840 0.076 0.000 0.798 1068 L CB -0.968 41.149 42.059 0.096 0.000 0.922 1068 L HN 0.300 nan 8.230 nan 0.000 0.445 1069 G N -0.638 108.184 108.800 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 0.512 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 0.882 120.809 119.914 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 0.966 63.279 62.300 0.022 0.000 1.021 1070 V CB -0.488 31.328 31.823 -0.010 0.000 0.662 1070 V HN 0.288 nan 8.190 nan 0.000 0.458 1071 L N 0.140 121.374 121.223 0.020 0.000 2.263 1071 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 1071 L C 2.530 179.480 176.870 0.133 0.000 1.111 1071 L CA 1.537 56.418 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 0.502 120.356 119.800 0.091 0.000 2.089 1072 Q HA -0.149 4.191 4.340 -0.000 0.000 0.195 1072 Q C 2.257 178.300 176.000 0.073 0.000 0.963 1072 Q CA 1.263 57.113 55.803 0.077 0.000 0.834 1072 Q CB -0.123 28.650 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.079 119.465 120.500 0.074 0.000 2.159 1073 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 1073 R C 1.918 178.270 176.300 0.087 0.000 1.131 1073 R CA 1.434 57.572 56.100 0.062 0.000 0.982 1073 R CB -0.315 30.018 30.300 0.054 0.000 0.868 1073 R HN 0.424 nan 8.270 nan 0.000 0.453 1074 Y N 0.881 121.171 120.300 -0.016 0.000 2.176 1074 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 1074 Y C 2.390 178.272 175.900 -0.029 0.000 1.122 1074 Y CA 1.818 59.903 58.100 -0.024 0.000 1.128 1074 Y CB -0.459 37.988 38.460 -0.023 0.000 1.005 1074 Y HN 0.072 nan 8.280 nan 0.000 0.509 1075 Q N 0.184 119.968 119.800 -0.027 0.000 2.197 1075 Q HA -0.246 4.093 4.340 -0.000 0.000 0.207 1075 Q C 1.507 177.425 176.000 -0.136 0.000 0.984 1075 Q CA 2.101 57.813 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 0.436 120.800 120.400 -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 54.982 54.000 -0.024 0.000 0.826 1076 D CB -0.167 40.627 40.800 -0.011 0.000 0.973 1076 D HN 0.314 nan 8.370 nan 0.000 0.460 1077 L N 0.635 121.783 121.223 -0.125 0.000 2.017 1077 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1077 L C 2.455 179.213 176.870 -0.186 0.000 1.073 1077 L CA 1.413 56.162 54.840 -0.151 0.000 0.745 1077 L CB -0.221 41.749 42.059 -0.148 0.000 0.894 1077 L HN 0.026 nan 8.230 nan 0.000 0.432 1078 C N -0.384 118.737 119.300 -0.298 0.000 2.413 1078 C HA -0.251 4.209 4.460 -0.000 0.000 0.276 1078 C C 2.624 177.581 174.990 -0.055 0.000 1.236 1078 C CA 1.316 60.181 59.018 -0.254 0.000 1.735 1078 C CB -1.496 26.005 27.740 -0.399 0.000 2.031 1078 C HN 0.727 nan 8.230 nan 0.000 0.474 1079 H N 1.276 120.245 119.070 -0.169 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 2.043 58.037 56.048 -0.090 0.000 1.244 1079 H CB -0.170 29.533 29.762 -0.097 0.000 1.355 1079 H HN 0.471 nan 8.280 nan 0.000 0.485 1080 N N 0.535 119.203 118.700 -0.054 0.000 2.043 1080 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 1080 N C 2.223 177.768 175.510 0.059 0.000 1.037 1080 N CA 1.376 54.372 53.050 -0.090 0.000 0.851 1080 N CB -0.772 37.645 38.487 -0.116 0.000 1.027 1080 N HN 0.213 nan 8.380 nan 0.000 0.422 1081 V N 1.258 121.181 119.914 0.015 0.000 2.231 1081 V HA -0.290 3.830 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 1.799 64.103 62.300 0.006 0.000 1.015 1081 V CB -0.823 30.872 31.823 -0.213 0.000 0.638 1081 V HN 0.305 nan 8.190 nan 0.000 0.444 1082 Y N -0.173 120.148 120.300 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 -0.191 119.281 119.300 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 0.857 60.001 59.018 0.211 0.000 1.734 1083 C CB -0.848 27.029 27.740 0.229 0.000 2.027 1083 C HN 0.591 nan 8.230 nan 0.000 0.496 1084 Q N 1.039 120.940 119.800 0.169 0.000 2.297 1084 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 1084 Q C 2.367 178.454 176.000 0.145 0.000 0.962 1084 Q CA 1.424 57.330 55.803 0.171 0.000 0.879 1084 Q CB -0.201 28.750 28.738 0.355 0.000 0.947 1084 Q HN 0.734 nan 8.270 nan 0.000 0.462 1085 A N 1.426 124.367 122.820 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 0.916 53.034 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 0.115 nan 8.150 nan 0.000 0.442 1086 E N 0.005 120.140 120.200 -0.109 0.000 2.273 1086 E HA -0.149 4.201 4.350 -0.000 0.000 0.198 1086 E C 1.953 178.548 176.600 -0.009 0.000 1.002 1086 E CA 1.559 57.898 56.400 -0.102 0.000 0.828 1086 E CB -0.632 28.998 29.700 -0.117 0.000 0.747 1086 E HN 0.623 nan 8.360 nan 0.000 0.491 1087 T N 0.984 115.559 114.554 0.034 0.000 2.732 1087 T HA -0.011 4.339 4.350 -0.000 0.000 0.261 1087 T C 2.098 176.838 174.700 0.067 0.000 1.040 1087 T CA 0.641 62.806 62.100 0.108 0.000 1.145 1087 T CB -0.113 68.789 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 62.513 61.300 -0.031 0.000 1.382 1088 I CB -0.312 37.617 38.000 -0.118 0.000 1.060 1088 I HN 0.130 nan 8.210 nan 0.000 0.418 1089 R N 0.103 120.601 120.500 -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 1.770 57.862 56.100 -0.014 0.000 0.970 1089 R CB -0.633 29.647 30.300 -0.033 0.000 0.864 1089 R HN 0.349 nan 8.270 nan 0.000 0.440 1090 T N 0.915 115.421 114.554 -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 0.981 62.956 62.100 -0.209 0.000 1.136 1090 T CB -0.073 68.511 68.868 -0.474 0.000 0.874 1090 T HN -0.003 nan 8.240 nan 0.000 0.466 1091 V N 1.079 120.993 119.914 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 1.370 63.717 62.300 0.078 0.000 1.048 1091 V CB -0.497 31.409 31.823 0.138 0.000 0.666 1091 V HN 0.498 nan 8.190 nan 0.000 0.456 1092 I N 0.095 120.680 120.570 0.025 0.000 2.270 1092 I HA -0.049 4.121 4.170 -0.000 0.000 0.239 1092 I C 2.729 178.826 176.117 -0.035 0.000 1.080 1092 I CA 1.060 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 1.940 124.731 122.820 -0.049 0.000 1.971 1093 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 1093 A C 2.200 179.753 177.584 -0.052 0.000 1.182 1093 A CA 2.369 54.371 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 -4.787 115.750 120.570 -0.055 0.000 3.444 1094 I HA 0.095 4.265 4.170 -0.000 0.000 0.287 1094 I C 1.355 177.461 176.117 -0.019 0.000 1.302 1094 I CA 0.666 61.942 61.300 -0.041 0.000 1.368 1094 I CB -0.059 37.910 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 -0.189 176.095 176.300 -0.027 0.000 1.072 1095 R CA -0.271 55.821 56.100 -0.013 0.000 1.089 1095 R CB 0.620 30.920 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 0.173 4.343 4.170 -0.000 0.000 0.291 1096 I C -1.435 174.681 176.117 -0.002 0.000 1.046 1096 I CA -1.867 59.410 61.300 -0.039 0.000 1.324 1096 I CB 0.894 38.862 38.000 -0.052 0.000 1.409 1096 I HN -0.092 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 -0.015 120.204 120.200 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 4.581 123.660 119.070 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 56.703 56.048 0.019 0.000 1.477 1099 H CB 0.201 29.975 29.762 0.020 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.146 123.304 120.400 -0.403 0.000 2.378 1100 K HA 0.236 4.556 4.320 -0.000 0.000 0.244 1100 K C 0.176 176.553 176.600 -0.370 0.000 1.039 1100 K CA -0.962 55.141 56.287 -0.306 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 1.421 121.497 120.200 -0.206 0.000 2.548 1101 E HA 0.050 4.400 4.350 -0.000 0.000 0.206 1101 E C -0.706 175.841 176.600 -0.089 0.000 1.005 1101 E CA 0.248 56.562 56.400 -0.143 0.000 0.951 1101 E CB 0.728 30.373 29.700 -0.090 0.000 1.035 1101 E HN 0.578 nan 8.360 nan 0.000 0.470 1102 E N -0.604 119.544 120.200 -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 1.004 30.675 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 -0.689 175.593 176.300 -0.031 0.000 1.138 1103 D CA 0.573 54.552 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 0.240 118.925 118.700 -0.025 0.000 2.321 1104 N HA 0.139 4.879 4.740 -0.000 0.000 0.242 1104 N C 1.791 177.301 175.510 0.001 0.000 1.141 1104 N CA -0.278 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 -0.300 120.916 121.223 -0.012 0.000 2.093 1105 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 1105 L C 2.344 179.204 176.870 -0.016 0.000 1.085 1105 L CA 1.370 56.201 54.840 -0.014 0.000 0.755 1105 L CB -0.360 41.685 42.059 -0.023 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.711 108.074 108.800 -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 0.558 45.637 45.100 -0.035 0.000 0.793 1106 G HN 0.148 nan 8.290 nan 0.000 0.533 1107 V N 1.926 121.842 119.914 0.003 0.000 2.380 1107 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 1107 V C 3.328 179.480 176.094 0.096 0.000 1.063 1107 V CA 2.052 64.373 62.300 0.035 0.000 1.055 1107 V CB -1.001 30.872 31.823 0.084 0.000 0.657 1107 V HN 0.462 nan 8.190 nan 0.000 0.455 1108 A N -0.134 122.739 122.820 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 2.200 54.298 52.037 0.102 0.000 0.627 1108 A CB -0.748 18.283 19.000 0.052 0.000 0.818 1108 A HN 0.351 nan 8.150 nan 0.000 0.445 1109 V N 0.153 120.084 119.914 0.028 0.000 2.332 1109 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 1109 V C 2.678 178.776 176.094 0.006 0.000 1.055 1109 V CA 2.301 64.605 62.300 0.007 0.000 1.038 1109 V CB -0.985 30.820 31.823 -0.029 0.000 0.651 1109 V HN 0.650 nan 8.190 nan 0.000 0.450 1110 Q N -0.950 118.834 119.800 -0.027 0.000 2.002 1110 Q HA -0.231 4.109 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 1.849 57.605 55.803 -0.080 0.000 0.843 1110 Q CB -0.389 28.248 28.738 -0.168 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.137 119.220 119.070 0.022 0.000 2.387 1111 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 1111 H C 2.102 177.448 175.328 0.030 0.000 1.099 1111 H CA 1.438 57.502 56.048 0.026 0.000 1.315 1111 H CB -0.202 29.575 29.762 0.025 0.000 1.380 1111 H HN 0.345 nan 8.280 nan 0.000 0.513 1112 A N 0.625 123.529 122.820 0.140 0.000 1.851 1112 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 1112 A C 2.894 180.527 177.584 0.081 0.000 1.195 1112 A CA 1.951 54.044 52.037 0.093 0.000 0.622 1112 A CB -0.992 18.048 19.000 0.067 0.000 0.831 1112 A HN 0.217 nan 8.150 nan 0.000 0.444 1113 V N 0.195 120.151 119.914 0.070 0.000 2.343 1113 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 1113 V C 2.570 178.714 176.094 0.085 0.000 1.051 1113 V CA 1.912 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 -0.194 121.070 121.223 0.068 0.000 2.081 1114 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 1114 L C 2.604 179.521 176.870 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 0.645 121.098 120.400 0.089 0.000 2.057 1115 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 1115 K C 2.155 178.801 176.600 0.078 0.000 1.050 1115 K CA 1.290 57.626 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 0.259 nan 8.250 nan 0.000 0.439 1116 I N 0.809 121.428 120.570 0.082 0.000 2.394 1116 I HA -0.233 3.937 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 1.094 62.445 61.300 0.084 0.000 1.425 1116 I CB 0.059 38.113 38.000 0.091 0.000 1.079 1116 I HN 0.256 nan 8.210 nan 0.000 0.425 1117 I N 0.862 121.489 120.570 0.096 0.000 2.252 1117 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1117 I C 1.931 178.092 176.117 0.074 0.000 1.102 1117 I CA 1.311 62.671 61.300 0.100 0.000 1.385 1117 I CB -0.506 37.550 38.000 0.093 0.000 1.064 1117 I HN 0.254 nan 8.210 nan 0.000 0.414 1118 D N 0.430 120.869 120.400 0.065 0.000 2.178 1118 D HA -0.215 4.425 4.640 -0.000 0.000 0.202 1118 D C 1.952 178.295 176.300 0.073 0.000 0.974 1118 D CA 1.020 55.056 54.000 0.061 0.000 0.841 1118 D CB -0.162 40.675 40.800 0.062 0.000 0.953 1118 D HN 0.435 nan 8.370 nan 0.000 0.478 1119 E N 0.174 120.418 120.200 0.075 0.000 2.150 1119 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1119 E C 2.091 178.740 176.600 0.082 0.000 0.985 1119 E CA 0.255 56.703 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 1.257 122.522 121.223 0.069 0.000 2.044 1120 L HA -0.095 4.245 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 1.823 56.690 54.840 0.044 0.000 0.747 1120 L CB -0.343 41.737 42.059 0.034 0.000 0.903 1120 L HN 0.025 nan 8.230 nan 0.000 0.435 1121 E N -0.279 119.965 120.200 0.074 0.000 2.160 1121 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 1121 E C 2.271 178.983 176.600 0.186 0.000 0.991 1121 E CA 1.543 58.020 56.400 0.128 0.000 0.810 1121 E CB -0.203 29.529 29.700 0.053 0.000 0.742 1121 E HN 0.596 nan 8.360 nan 0.000 0.466 1122 I N 0.893 121.544 120.570 0.135 0.000 2.315 1122 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 1122 I C 2.207 178.394 176.117 0.117 0.000 1.117 1122 I CA 0.822 62.198 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 0.455 120.922 120.400 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 2.193 58.552 56.287 0.119 0.000 0.930 1123 K CB -1.165 31.420 32.500 0.142 0.000 0.714 1123 K HN 0.444 nan 8.250 nan 0.000 0.438 1124 T N 0.777 115.375 114.554 0.073 0.000 2.708 1124 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 1124 T C 2.044 176.758 174.700 0.023 0.000 1.037 1124 T CA 1.203 63.317 62.100 0.024 0.000 1.146 1124 T CB -0.561 68.326 68.868 0.031 0.000 0.865 1124 T HN 0.044 nan 8.240 nan 0.000 0.435 1125 L N 1.912 123.187 121.223 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 1.585 56.458 54.840 0.056 0.000 0.765 1125 L CB -1.319 40.806 42.059 0.110 0.000 0.904 1125 L HN 0.925 nan 8.230 nan 0.000 0.437 1126 G N -2.144 106.719 108.800 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 0.614 175.580 174.900 0.110 0.000 1.364 1126 G CA 0.351 45.522 45.100 0.117 0.000 0.866 1126 G HN 0.566 nan 8.290 nan 0.000 0.555 1127 S N -0.431 115.327 115.700 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 1.777 60.018 58.200 0.069 0.000 0.984 1127 S CB -0.702 62.526 63.200 0.047 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.153 110.000 108.800 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 45.229 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 -0.432 176.163 176.600 -0.008 0.000 0.905 1129 E CA 0.016 56.414 56.400 -0.004 0.000 1.344 1129 E CB 1.017 30.711 29.700 -0.011 0.000 1.156 1129 E HN 0.271 nan 8.360 nan 0.000 0.578 1130 K N 1.850 122.243 120.400 -0.011 0.000 2.640 1130 K HA 0.311 4.631 4.320 -0.000 0.000 0.245 1130 K C -1.135 175.464 176.600 -0.001 0.000 0.962 1130 K CA -0.487 55.795 56.287 -0.009 0.000 0.896 1130 K CB 1.083 33.572 32.500 -0.018 0.000 1.147 1130 K HN 0.030 nan 8.250 nan 0.000 0.445 1131 S N 1.575 117.277 115.700 0.004 0.000 2.578 1131 S HA 0.766 5.236 4.470 -0.000 0.000 0.301 1131 S C 0.302 174.909 174.600 0.010 0.000 1.091 1131 S CA -0.699 57.506 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 1.129 109.938 108.800 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 44.973 45.100 0.017 0.000 0.897 1132 G HN 1.379 nan 8.290 nan 0.000 0.499 1133 S N 1.606 117.313 115.700 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 1.641 59.847 58.200 0.010 0.000 1.019 1133 S CB -0.390 62.816 63.200 0.010 0.000 0.801 1133 S HN 0.967 nan 8.310 nan 0.000 0.491 1134 G N 0.435 109.242 108.800 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 0.940 175.844 174.900 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 -0.462 108.343 108.800 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 0.345 45.448 45.100 0.005 0.000 0.940 1135 G HN 1.381 nan 8.290 nan 0.000 0.573 1136 A N 0.538 123.359 122.820 0.001 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.519 177.058 177.584 -0.012 0.000 0.964 1136 A CA 0.828 52.866 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 0.651 177.919 177.300 -0.053 0.000 1.167 1137 P CA 0.989 64.066 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 0.878 115.414 114.554 -0.029 0.000 2.779 1138 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 1138 T C -1.655 173.031 174.700 -0.022 0.000 0.938 1138 T CA -1.703 60.385 62.100 -0.020 0.000 1.119 1138 T CB 0.371 69.256 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 0.106 177.376 177.300 -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 -2.269 118.290 120.570 -0.018 0.000 2.545 1140 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 1140 I C 0.639 176.835 176.117 0.133 0.000 1.040 1140 I CA -1.017 60.285 61.300 0.003 0.000 1.068 1140 I CB 1.791 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 5.333 114.223 108.800 0.149 0.000 2.527 1141 G HA2 0.064 4.024 3.960 -0.000 0.000 0.279 1141 G HA3 0.064 4.024 3.960 -0.000 0.000 0.279 1141 G C 0.482 175.493 174.900 0.184 0.000 1.374 1141 G CA -0.135 45.075 45.100 0.183 0.000 1.053 1141 G HN 0.803 nan 8.290 nan 0.000 0.539 1142 M N -1.791 117.813 119.600 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 -0.352 0.000 1.151 1142 M CA 0.317 55.490 55.300 -0.212 0.000 0.989 1142 M CB 0.362 32.714 32.600 -0.414 0.000 1.548 1142 M HN 0.334 nan 8.290 nan 0.000 0.479 1143 Y N 0.347 120.702 120.300 0.091 0.000 2.774 1143 Y HA 0.607 5.157 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 57.817 58.100 0.091 0.000 1.304 1143 Y CB -0.071 38.422 38.460 0.056 0.000 1.209 1143 Y HN 0.422 nan 8.280 nan 0.000 0.543 1144 A N 0.040 123.025 122.820 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 1.575 53.812 52.037 0.334 0.000 0.624 1144 A CB -0.595 18.573 19.000 0.280 0.000 0.822 1144 A HN 0.477 nan 8.150 nan 0.000 0.444 1145 L N -0.329 121.044 121.223 0.251 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 0.044 120.670 120.500 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 -0.494 29.917 30.300 0.185 0.000 0.846 1146 R HN 0.531 nan 8.270 nan 0.000 0.431 1147 E N -1.221 119.116 120.200 0.229 0.000 2.106 1147 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 1147 E C 1.682 178.392 176.600 0.184 0.000 0.984 1147 E CA 1.230 57.780 56.400 0.251 0.000 0.806 1147 E CB -0.320 29.607 29.700 0.379 0.000 0.750 1147 E HN 0.374 nan 8.360 nan 0.000 0.458 1148 Y N 1.594 121.851 120.300 -0.073 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 -0.638 0.000 1.123 1148 Y CB -0.433 37.710 38.460 -0.528 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.737 120.303 121.223 -0.306 0.000 2.127 1149 L HA -0.220 4.120 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 1.685 56.315 54.840 -0.350 0.000 0.757 1149 L CB -0.831 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 -0.468 115.153 115.700 -0.133 0.000 2.406 1150 S HA -0.080 4.390 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 1.045 59.199 58.200 -0.077 0.000 0.965 1150 S CB 0.059 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 1.488 124.231 122.820 -0.128 0.000 1.874 1151 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 1151 A C 2.200 179.691 177.584 -0.154 0.000 1.189 1151 A CA 1.187 53.166 52.037 -0.097 0.000 0.615 1151 A CB -0.645 18.321 19.000 -0.057 0.000 0.830 1151 A HN 0.547 nan 8.150 nan 0.000 0.443 1152 R N -0.405 119.914 120.500 -0.300 0.000 2.075 1152 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 1152 R C 2.550 178.738 176.300 -0.185 0.000 1.126 1152 R CA 1.560 57.489 56.100 -0.284 0.000 0.963 1152 R CB -0.312 29.685 30.300 -0.505 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.527 115.061 115.700 -0.186 0.000 2.365 1153 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1153 S C 1.718 176.271 174.600 -0.078 0.000 1.039 1153 S CA 2.154 60.282 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 1.722 176.400 174.700 -0.037 0.000 1.054 1154 T CA 1.449 63.523 62.100 -0.043 0.000 1.135 1154 T CB -0.264 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 1.043 120.930 119.914 -0.046 0.000 2.878 1155 V HA 0.014 4.134 4.120 -0.000 0.000 0.250 1155 V C 2.194 178.270 176.094 -0.030 0.000 1.075 1155 V CA 1.029 63.309 62.300 -0.034 0.000 1.096 1155 V CB -0.396 31.406 31.823 -0.035 0.000 0.724 1155 V HN 0.503 nan 8.190 nan 0.000 0.467 1156 E N -0.100 120.075 120.200 -0.042 0.000 2.418 1156 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 1156 E C 1.505 178.089 176.600 -0.026 0.000 1.026 1156 E CA 0.728 57.108 56.400 -0.033 0.000 0.862 1156 E CB 0.031 29.702 29.700 -0.048 0.000 0.799 1156 E HN 0.576 nan 8.360 nan 0.000 0.518 1157 D N 0.511 120.895 120.400 -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 0.248 120.640 120.400 -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 0.342 56.624 56.287 -0.009 0.000 0.956 1158 K CB 0.507 33.001 32.500 -0.009 0.000 0.746 1158 K HN 0.112 nan 8.250 nan 0.000 0.461 1159 L N 0.182 121.402 121.223 -0.006 0.000 2.187 1159 L HA -0.010 4.330 4.340 -0.000 0.000 0.197 1159 L C 2.110 178.979 176.870 -0.002 0.000 1.090 1159 L CA 0.730 55.569 54.840 -0.001 0.000 0.781 1159 L CB -0.182 41.880 42.059 0.004 0.000 0.956 1159 L HN 0.115 nan 8.230 nan 0.000 0.463 1160 L N -0.825 120.395 121.223 -0.005 0.000 2.240 1160 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 1160 L C 1.165 178.030 176.870 -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 -0.426 108.369 108.800 -0.008 0.000 2.378 1161 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.198 1161 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.198 1161 G C -1.017 173.878 174.900 -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 0.991 120.901 119.914 -0.007 0.000 2.781 1162 V HA 0.512 4.632 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 -0.752 61.544 62.300 -0.006 0.000 0.936 1162 V CB 2.015 33.835 31.823 -0.006 0.000 1.074 1162 V HN 0.842 nan 8.190 nan 0.000 0.444 1163 D N 3.883 124.280 120.400 -0.005 0.000 2.473 1163 D HA 0.685 5.325 4.640 -0.000 0.000 0.253 1163 D C -0.140 176.158 176.300 -0.005 0.000 1.233 1163 D CA 0.013 54.010 54.000 -0.005 0.000 0.908 1163 D CB 2.223 43.020 40.800 -0.005 0.000 1.170 1163 D HN 0.781 nan 8.370 nan 0.000 0.558 1164 A N 2.414 125.231 122.820 -0.004 0.000 2.305 1164 A HA 0.646 4.966 4.320 -0.000 0.000 0.322 1164 A C 0.108 177.690 177.584 -0.004 0.000 1.187 1164 A CA -0.499 51.535 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 0.077 120.275 120.200 -0.004 0.000 2.320 1165 E HA 0.706 5.056 4.350 -0.000 0.000 0.264 1165 E C -1.217 175.381 176.600 -0.003 0.000 0.923 1165 E CA -0.699 55.699 56.400 -0.003 0.000 0.796 1165 E CB 2.130 31.828 29.700 -0.003 0.000 1.262 1165 E HN 0.581 nan 8.360 nan 0.000 0.428 1166 S N -0.279 115.420 115.700 -0.003 0.000 2.581 1166 S HA 0.293 4.763 4.470 -0.000 0.000 0.306 1166 S C -0.762 173.837 174.600 -0.002 0.000 1.080 1166 S CA -0.446 57.753 58.200 -0.002 0.000 0.925 1166 S CB 0.900 64.099 63.200 -0.002 0.000 1.128 1166 S HN 0.636 nan 8.310 nan 0.000 0.451 1167 G N 3.180 111.979 108.800 -0.002 0.000 3.102 1167 G HA2 0.344 4.304 3.960 -0.000 0.000 0.264 1167 G HA3 0.344 4.304 3.960 -0.000 0.000 0.264 1167 G C 0.353 175.252 174.900 -0.002 0.000 0.788 1167 G CA -0.183 44.916 45.100 -0.002 0.000 2.029 1167 G HN 0.677 nan 8.290 nan 0.000 0.608 1168 K N -0.148 120.251 120.400 -0.002 0.000 2.618 1168 K HA 0.131 4.451 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 -0.486 114.067 114.554 -0.002 0.000 2.927 1169 T HA 0.219 4.569 4.350 -0.000 0.000 0.350 1169 T C -0.439 174.260 174.700 -0.002 0.000 1.746 1169 T CA -0.713 61.386 62.100 -0.002 0.000 1.081 1169 T CB 2.231 71.098 68.868 -0.002 0.000 1.551 1169 T HN -0.137 nan 8.240 nan 0.000 0.489 1170 K N 0.368 120.767 120.400 -0.002 0.000 2.378 1170 K HA 0.645 4.965 4.320 -0.000 0.000 0.222 1170 K C 1.133 177.732 176.600 -0.003 0.000 1.178 1170 K CA 0.236 56.521 56.287 -0.002 0.000 0.827 1170 K CB 0.458 32.956 32.500 -0.002 0.000 1.412 1170 K HN 0.891 nan 8.250 nan 0.000 0.443 1171 G N 0.198 108.997 108.800 -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 -0.425 174.474 174.900 -0.003 0.000 1.577 1172 G CA 0.685 45.783 45.100 -0.002 0.000 0.847 1172 G HN 2.019 nan 8.290 nan 0.000 0.598 1173 G N 0.301 109.100 108.800 -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 0.433 175.334 174.900 0.001 0.000 1.363 1173 G CA 0.420 45.520 45.100 -0.001 0.000 1.134 1173 G HN 1.173 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 1.717 176.318 174.600 0.002 0.000 1.121 1174 S CA 0.581 58.782 58.200 0.000 0.000 0.869 1174 S CB 0.372 63.572 63.200 0.000 0.000 0.648 1174 S HN 0.753 nan 8.310 nan 0.000 0.469 1175 Q N 2.414 122.215 119.800 0.001 0.000 2.062 1175 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 1175 Q C 1.112 177.114 176.000 0.003 0.000 0.967 1175 Q CA 0.613 56.417 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 0.731 nan 8.270 nan 0.000 0.442 1176 S N 2.531 118.232 115.700 0.001 0.000 3.074 1176 S HA -0.058 4.412 4.470 -0.000 0.000 0.359 1176 S C -1.449 173.152 174.600 0.002 0.000 1.207 1176 S CA -0.820 57.380 58.200 0.001 0.000 1.061 1176 S CB 0.536 63.736 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 1.191 178.491 177.300 -0.000 0.000 1.145 1177 P CA 0.922 64.024 63.100 0.004 0.000 0.795 1177 P CB -0.010 31.693 31.700 0.004 0.000 0.775 1178 S N -0.096 115.602 115.700 -0.003 0.000 2.406 1178 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 1178 S C 1.826 176.419 174.600 -0.012 0.000 1.020 1178 S CA 0.460 58.655 58.200 -0.008 0.000 0.965 1178 S CB -0.964 62.232 63.200 -0.006 0.000 0.798 1178 S HN 0.079 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 0.041 4.381 4.340 -0.000 0.000 0.212 1179 L C 1.883 178.747 176.870 -0.009 0.000 1.103 1179 L CA 1.204 56.039 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 0.270 nan 8.230 nan 0.000 0.438 1180 L N -1.274 119.947 121.223 -0.003 0.000 2.095 1180 L HA -0.077 4.263 4.340 -0.000 0.000 0.204 1180 L C 2.140 178.993 176.870 -0.028 0.000 1.080 1180 L CA 1.598 56.443 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 2.474 179.273 176.870 -0.120 0.000 1.105 1181 L CA 1.233 56.020 54.840 -0.089 0.000 0.775 1181 L CB -0.444 41.583 42.059 -0.054 0.000 0.913 1181 L HN 0.432 nan 8.230 nan 0.000 0.440 1182 E N 0.465 120.620 120.200 -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 0.681 57.046 56.400 -0.059 0.000 0.814 1182 E CB 0.099 29.783 29.700 -0.026 0.000 0.752 1182 E HN 0.313 nan 8.360 nan 0.000 0.466 1183 L N 1.138 122.304 121.223 -0.094 0.000 2.141 1183 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 1183 L C 2.350 179.074 176.870 -0.243 0.000 1.094 1183 L CA 1.593 56.381 54.840 -0.087 0.000 0.763 1183 L CB -0.277 41.783 42.059 0.001 0.000 0.908 1183 L HN -0.015 nan 8.230 nan 0.000 0.437 1184 R N -1.351 118.851 120.500 -0.497 0.000 2.090 1184 R HA -0.155 4.185 4.340 -0.000 0.000 0.228 1184 R C 2.261 178.319 176.300 -0.402 0.000 1.110 1184 R CA 1.174 56.724 56.100 -0.917 0.000 0.973 1184 R CB -0.108 29.639 30.300 -0.921 0.000 0.869 1184 R HN 0.358 nan 8.270 nan 0.000 0.440 1185 Q N 0.718 120.391 119.800 -0.212 0.000 2.123 1185 Q HA 0.028 4.368 4.340 -0.000 0.000 0.199 1185 Q C 1.851 177.860 176.000 0.016 0.000 0.966 1185 Q CA 1.374 57.126 55.803 -0.085 0.000 0.845 1185 Q CB -0.020 28.692 28.738 -0.044 0.000 0.907 1185 Q HN 0.422 nan 8.270 nan 0.000 0.439 1186 I N 0.724 121.317 120.570 0.039 0.000 2.423 1186 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 1186 I C 1.078 177.339 176.117 0.241 0.000 1.151 1186 I CA 1.163 62.562 61.300 0.164 0.000 1.421 1186 I CB -0.210 37.837 38.000 0.078 0.000 1.079 1186 I HN 0.204 nan 8.210 nan 0.000 0.431 1187 D N 0.777 121.260 120.400 0.138 0.000 2.213 1187 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 1187 D C 2.240 178.588 176.300 0.081 0.000 0.961 1187 D CA 1.177 55.273 54.000 0.161 0.000 0.853 1187 D CB 0.118 41.017 40.800 0.164 0.000 0.967 1187 D HN 0.301 nan 8.370 nan 0.000 0.496 1188 A N 1.264 124.092 122.820 0.013 0.000 1.872 1188 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 1188 A C 1.844 179.508 177.584 0.134 0.000 1.187 1188 A CA 1.291 53.292 52.037 -0.061 0.000 0.614 1188 A CB -0.243 18.638 19.000 -0.199 0.000 0.826 1188 A HN -0.031 nan 8.150 nan 0.000 0.442 1189 D N -0.386 120.103 120.400 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 55.276 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 0.197 120.132 119.950 -0.024 0.000 2.529 1190 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 1190 F C 2.214 177.919 175.800 -0.157 0.000 1.114 1190 F CA 0.630 58.562 58.000 -0.114 0.000 1.467 1190 F CB -0.073 38.791 39.000 -0.227 0.000 1.096 1190 F HN -0.031 nan 8.300 nan 0.000 0.586 1191 M N -1.790 117.855 119.600 0.075 0.000 2.534 1191 M HA 0.063 4.543 4.480 -0.000 0.000 0.263 1191 M C 2.048 178.353 176.300 0.008 0.000 1.152 1191 M CA 0.681 56.002 55.300 0.035 0.000 1.145 1191 M CB -0.745 31.918 32.600 0.105 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.860 122.105 121.223 0.037 0.000 2.131 1192 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 1192 L C 1.973 178.760 176.870 -0.139 0.000 1.087 1192 L CA 1.849 56.632 54.840 -0.095 0.000 0.767 1192 L CB -0.515 41.496 42.059 -0.079 0.000 0.917 1192 L HN 0.126 nan 8.230 nan 0.000 0.441 1193 K N -1.060 119.243 120.400 -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 1.263 57.414 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 0.929 120.674 119.914 -0.280 0.000 2.878 1194 V HA -0.098 4.022 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 1.155 63.214 62.300 -0.401 0.000 1.096 1194 V CB -0.175 31.413 31.823 -0.392 0.000 0.724 1194 V HN 0.259 nan 8.190 nan 0.000 0.467 1195 E N 0.565 120.667 120.200 -0.163 0.000 2.015 1195 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 1195 E C 2.256 178.804 176.600 -0.085 0.000 0.991 1195 E CA 1.388 57.721 56.400 -0.112 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 0.639 121.805 121.223 -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 -0.797 41.216 42.059 -0.077 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.435 123.231 122.820 -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 2.692 54.755 52.037 0.043 0.000 0.642 1197 A CB -1.058 17.938 19.000 -0.007 0.000 0.816 1197 A HN 0.622 nan 8.150 nan 0.000 0.453 1198 T N -4.384 110.204 114.554 0.057 0.000 2.978 1198 T HA -0.040 4.310 4.350 -0.000 0.000 0.262 1198 T C 1.770 176.489 174.700 0.032 0.000 1.063 1198 T CA 1.625 63.770 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 0.310 nan 8.240 nan 0.000 0.470 1199 T N 1.151 115.721 114.554 0.028 0.000 2.737 1199 T HA -0.103 4.247 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 1.795 63.909 62.100 0.023 0.000 1.144 1199 T CB -0.556 68.323 68.868 0.018 0.000 0.866 1199 T HN 0.679 nan 8.240 nan 0.000 0.434 1200 H N 0.708 119.770 119.070 -0.014 0.000 2.389 1200 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 1200 H C 1.945 177.266 175.328 -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 -0.009 121.157 121.223 -0.095 0.000 2.265 1201 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 1201 L C 2.082 178.844 176.870 -0.180 0.000 1.117 1201 L CA 1.350 56.094 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 0.237 nan 8.230 nan 0.000 0.441 1202 S N -1.362 114.265 115.700 -0.122 0.000 2.345 1202 S HA -0.150 4.320 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 1.603 59.744 58.200 -0.100 0.000 0.984 1202 S CB -0.519 62.650 63.200 -0.053 0.000 0.874 1202 S HN 0.528 nan 8.310 nan 0.000 0.451 1203 T N 2.614 117.099 114.554 -0.116 0.000 2.597 1203 T HA -0.207 4.143 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 1.884 63.923 62.100 -0.101 0.000 1.165 1203 T CB -0.445 68.371 68.868 -0.087 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 1.474 56.652 55.300 -0.203 0.000 1.103 1204 M CB -0.797 31.622 32.600 -0.302 0.000 1.321 1204 M HN 0.104 nan 8.290 nan 0.000 0.405 1205 V N 0.235 120.063 119.914 -0.144 0.000 2.343 1205 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 1205 V C 2.406 178.525 176.094 0.041 0.000 1.051 1205 V CA 2.054 64.289 62.300 -0.109 0.000 1.036 1205 V CB -0.818 30.853 31.823 -0.253 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.065 120.571 120.500 0.010 0.000 2.096 1206 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 1206 R C 2.416 178.761 176.300 0.074 0.000 1.127 1206 R CA 1.433 57.563 56.100 0.050 0.000 0.968 1206 R CB -0.581 29.732 30.300 0.023 0.000 0.861 1206 R HN 0.555 nan 8.270 nan 0.000 0.440 1207 A N 0.884 123.737 122.820 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 1.413 53.492 52.037 0.071 0.000 0.613 1207 A CB -0.606 18.422 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 2.380 178.616 176.094 0.236 0.000 1.064 1208 V CA 1.948 64.372 62.300 0.208 0.000 1.066 1208 V CB -0.862 31.137 31.823 0.293 0.000 0.667 1208 V HN 0.551 nan 8.190 nan 0.000 0.461 1209 I N 0.708 121.415 120.570 0.228 0.000 2.142 1209 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 1209 I C 2.490 178.733 176.117 0.210 0.000 1.078 1209 I CA 2.193 63.616 61.300 0.205 0.000 1.343 1209 I CB -0.591 37.517 38.000 0.181 0.000 1.046 1209 I HN 0.426 nan 8.210 nan 0.000 0.405 1210 N N 1.503 120.302 118.700 0.166 0.000 2.043 1210 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 1210 N C 1.869 177.473 175.510 0.157 0.000 1.037 1210 N CA 2.013 55.150 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 -0.956 121.956 122.820 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 1.621 53.742 52.037 0.141 0.000 0.636 1211 A CB -1.223 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 0.083 120.449 120.300 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 59.739 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 0.077 121.520 121.223 0.366 0.000 2.261 1213 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 1213 L C 2.025 179.071 176.870 0.294 0.000 1.114 1213 L CA 0.984 56.002 54.840 0.297 0.000 0.777 1213 L CB -0.462 41.748 42.059 0.252 0.000 0.910 1213 L HN 0.394 nan 8.230 nan 0.000 0.440 1214 L N -0.984 120.340 121.223 0.168 0.000 2.130 1214 L HA -0.019 4.321 4.340 -0.000 0.000 0.200 1214 L C 1.739 178.593 176.870 -0.026 0.000 1.075 1214 L CA 0.728 55.621 54.840 0.087 0.000 0.768 1214 L CB -0.331 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 0.207 118.872 118.700 -0.059 0.000 2.398 1215 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 1215 N C 1.636 176.991 175.510 -0.258 0.000 1.122 1215 N CA 0.335 53.293 53.050 -0.153 0.000 0.866 1215 N CB 0.091 38.527 38.487 -0.085 0.000 0.970 1215 N HN 0.564 nan 8.380 nan 0.000 0.462 1216 W N 2.392 123.459 121.300 -0.388 0.000 2.325 1216 W HA -0.142 4.518 4.660 -0.000 0.000 0.299 1216 W C 1.073 177.427 176.519 -0.276 0.000 1.215 1216 W CA 0.513 57.549 57.345 -0.515 0.000 1.244 1216 W CB -0.784 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 0.690 120.330 120.400 -1.267 0.000 2.032 1217 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 1217 K C 2.145 178.466 176.600 -0.464 0.000 1.048 1217 K CA 1.775 57.418 56.287 -1.074 0.000 0.927 1217 K CB -0.280 31.579 32.500 -1.067 0.000 0.712 1217 K HN -0.080 nan 8.250 nan 0.000 0.441 1218 K N 1.036 121.221 120.400 -0.358 0.000 2.211 1218 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 1218 K C 2.077 178.593 176.600 -0.140 0.000 1.050 1218 K CA 0.818 56.982 56.287 -0.205 0.000 0.945 1218 K CB -0.169 32.233 32.500 -0.163 0.000 0.732 1218 K HN 0.213 nan 8.250 nan 0.000 0.451 1219 L N 0.399 121.541 121.223 -0.135 0.000 2.093 1219 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1219 L C 2.109 178.962 176.870 -0.028 0.000 1.085 1219 L CA 0.762 55.564 54.840 -0.064 0.000 0.755 1219 L CB -0.298 41.735 42.059 -0.043 0.000 0.904 1219 L HN 0.065 nan 8.230 nan 0.000 0.435 1220 I N -1.205 119.352 120.570 -0.020 0.000 2.494 1220 I HA -0.058 4.112 4.170 -0.000 0.000 0.250 1220 I C 0.993 177.097 176.117 -0.021 0.000 1.112 1220 I CA 0.903 62.213 61.300 0.016 0.000 1.438 1220 I CB -0.439 37.608 38.000 0.079 0.000 1.111 1220 I HN 0.256 nan 8.210 nan 0.000 0.431 1221 Q N 2.055 121.815 119.800 -0.065 0.000 2.706 1221 Q HA 0.237 4.577 4.340 -0.000 0.000 0.250 1221 Q C -1.614 174.340 176.000 -0.076 0.000 1.120 1221 Q CA -1.662 54.101 55.803 -0.067 0.000 0.972 1221 Q CB 1.200 29.886 28.738 -0.086 0.000 1.173 1221 Q HN 0.265 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 -0.366 175.907 176.300 -0.044 0.000 0.980 1223 R CA -0.402 55.673 56.100 -0.042 0.000 0.891 1223 R CB 1.831 32.110 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 1.149 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 1.969 110.740 108.800 -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 0.350 115.941 115.700 -0.181 0.000 2.465 1226 S HA 0.144 4.614 4.470 -0.000 0.000 0.186 1226 S C -1.450 172.777 174.600 -0.622 0.000 0.839 1226 S CA -0.954 57.001 58.200 -0.407 0.000 1.037 1226 S CB 0.788 63.833 63.200 -0.259 0.000 1.407 1226 S HN 0.402 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 -0.279 0.000 1.137 1227 D CA -0.406 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 1.174 120.237 119.070 -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 0.469 56.511 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 0.353 nan 8.280 nan 0.000 0.528 1229 M N 0.621 120.263 119.600 0.070 0.000 2.134 1229 M HA 0.011 4.491 4.480 -0.000 0.000 0.262 1229 M C 0.767 177.077 176.300 0.017 0.000 1.076 1229 M CA 0.609 55.932 55.300 0.039 0.000 1.143 1229 M CB 0.202 32.813 32.600 0.020 0.000 1.346 1229 M HN -0.179 nan 8.290 nan 0.000 0.421 1230 V N 1.533 121.445 119.914 -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 -0.290 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 0.605 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