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 1ukj_1_C DATA FIRST_RESID 1001 DATA SEQUENCE MHGSNKLPGF ATRAIHHGYD PQDHGGALVP PVYQTATFTF PTVEYGAACF DATA SEQUENCE AGEQAGHFYS RISNPTLNLL EARMASLEGG EAGLALASGM GAITSTLWTL DATA SEQUENCE LRPGDEVLLG NTLYGCTFAF LHHGIGEFGV KLRHVDMADL QALEAAMTPA DATA SEQUENCE TRVIYFESPA NPNMHMADIA GVAKIARKHG ATVVVDNTYC TPYLQRPLEL DATA SEQUENCE GADLVVHSAT XYLSGHGDIT AGIVVGSQAL VDRIRLQGLK DMTGAVLSPH DATA SEQUENCE DAALLMRGIK TLNLRMDRHC ANAQVLAEFL ARQPQVELIH YPGLASFPQY DATA SEQUENCE TLARQQMSQP GGMIAFELKG GIGAGRRFMN ALQLFSRAVS LGDAESLAQH DATA SEQUENCE PASMTHSSYT PEERAHYGIS EGLVRLSVGL EDIDDLLADV QQALKASA 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.344 176.300 0.074 0.000 1.140 1001 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1001 M CB 0.000 32.604 32.600 0.007 0.000 1.302 1002 H N 0.141 119.119 119.070 -0.152 0.000 2.999 1002 H HA -0.130 4.426 4.556 -0.000 0.000 0.262 1002 H C -0.053 175.303 175.328 0.047 0.000 1.240 1002 H CA 2.055 58.006 56.048 -0.162 0.000 1.115 1002 H CB -0.783 28.930 29.762 -0.083 0.000 1.274 1002 H HN 1.196 nan 8.280 nan 0.000 0.358 1003 G N -1.506 107.401 108.800 0.179 0.000 2.198 1003 G HA2 0.066 4.026 3.960 -0.000 0.000 0.057 1003 G HA3 0.066 4.026 3.960 -0.000 0.000 0.057 1003 G C 0.003 175.075 174.900 0.287 0.000 0.803 1003 G CA 0.311 45.558 45.100 0.245 0.000 1.140 1003 G HN 0.381 nan 8.290 nan 0.000 0.405 1004 S N 0.223 116.105 115.700 0.304 0.000 3.031 1004 S HA 0.279 4.749 4.470 -0.000 0.000 0.253 1004 S C 1.026 175.700 174.600 0.123 0.000 0.996 1004 S CA 0.601 58.919 58.200 0.196 0.000 1.098 1004 S CB -0.176 63.131 63.200 0.177 0.000 1.042 1004 S HN 0.428 nan 8.310 nan 0.000 0.593 1005 N N 1.945 120.707 118.700 0.104 0.000 2.054 1005 N HA 0.070 4.810 4.740 -0.000 0.000 0.193 1005 N C 0.949 176.488 175.510 0.049 0.000 1.066 1005 N CA 1.040 54.130 53.050 0.066 0.000 0.853 1005 N CB 0.047 38.564 38.487 0.050 0.000 1.048 1005 N HN 0.096 nan 8.380 nan 0.000 0.431 1006 K N 1.601 122.026 120.400 0.042 0.000 3.233 1006 K HA 0.011 4.331 4.320 -0.000 0.000 0.283 1006 K C -0.505 176.115 176.600 0.033 0.000 1.209 1006 K CA -0.119 56.187 56.287 0.031 0.000 1.197 1006 K CB -0.494 32.020 32.500 0.024 0.000 1.431 1006 K HN 0.280 nan 8.250 nan 0.000 0.326 1007 L N 0.285 121.531 121.223 0.038 0.000 4.054 1007 L HA -0.188 4.152 4.340 -0.000 0.000 0.475 1007 L C -2.193 174.701 176.870 0.040 0.000 1.166 1007 L CA 0.495 55.357 54.840 0.037 0.000 0.688 1007 L CB -1.593 40.484 42.059 0.031 0.000 1.512 1007 L HN 0.278 nan 8.230 nan 0.000 0.799 1008 P HA 0.207 nan 4.420 nan 0.000 0.269 1008 P C 0.746 178.082 177.300 0.060 0.000 1.209 1008 P CA 0.319 63.446 63.100 0.045 0.000 0.776 1008 P CB 0.555 32.283 31.700 0.046 0.000 0.876 1009 G N 0.863 109.708 108.800 0.074 0.000 2.684 1009 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.255 1009 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.255 1009 G C 0.437 175.438 174.900 0.167 0.000 1.219 1009 G CA -0.415 44.759 45.100 0.122 0.000 0.901 1009 G HN 0.439 nan 8.290 nan 0.000 0.548 1010 F N 1.517 121.505 119.950 0.064 0.000 2.069 1010 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 1010 F C 2.758 178.592 175.800 0.056 0.000 1.113 1010 F CA 2.367 60.412 58.000 0.076 0.000 1.214 1010 F CB -0.337 38.751 39.000 0.147 0.000 0.978 1010 F HN 0.387 nan 8.300 nan 0.000 0.474 1011 A N -0.889 122.164 122.820 0.388 0.000 1.978 1011 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 1011 A C 2.149 179.800 177.584 0.112 0.000 1.170 1011 A CA 2.276 54.444 52.037 0.219 0.000 0.636 1011 A CB -1.400 17.691 19.000 0.152 0.000 0.810 1011 A HN 0.470 nan 8.150 nan 0.000 0.448 1012 T N -0.702 113.915 114.554 0.105 0.000 2.904 1012 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 1012 T C 2.017 176.778 174.700 0.101 0.000 1.059 1012 T CA 1.360 63.516 62.100 0.093 0.000 1.137 1012 T CB -0.132 68.765 68.868 0.048 0.000 0.879 1012 T HN 0.552 nan 8.240 nan 0.000 0.467 1013 R N 0.920 121.438 120.500 0.029 0.000 2.112 1013 R HA 0.274 4.614 4.340 -0.000 0.000 0.216 1013 R C 2.772 179.045 176.300 -0.045 0.000 1.080 1013 R CA 0.804 56.914 56.100 0.016 0.000 0.996 1013 R CB -0.310 29.930 30.300 -0.100 0.000 0.902 1013 R HN 0.274 nan 8.270 nan 0.000 0.449 1014 A N 1.556 124.272 122.820 -0.174 0.000 2.131 1014 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 1014 A C 1.973 179.514 177.584 -0.072 0.000 1.158 1014 A CA 1.475 53.400 52.037 -0.186 0.000 0.665 1014 A CB -0.462 18.432 19.000 -0.177 0.000 0.795 1014 A HN 0.526 nan 8.150 nan 0.000 0.460 1015 I N -7.827 112.730 120.570 -0.022 0.000 4.403 1015 I HA 0.319 4.489 4.170 -0.000 0.000 0.331 1015 I C 1.414 177.444 176.117 -0.145 0.000 1.327 1015 I CA 0.239 61.494 61.300 -0.075 0.000 1.175 1015 I CB 0.332 38.285 38.000 -0.077 0.000 1.165 1015 I HN 0.138 nan 8.210 nan 0.000 0.413 1016 H N -0.714 118.359 119.070 0.004 0.000 3.091 1016 H HA 0.226 4.782 4.556 -0.000 0.000 0.249 1016 H C -0.030 175.361 175.328 0.105 0.000 0.985 1016 H CA -0.165 55.901 56.048 0.031 0.000 1.177 1016 H CB 0.211 29.938 29.762 -0.057 0.000 1.456 1016 H HN 0.342 nan 8.280 nan 0.000 0.467 1017 H N 0.561 119.710 119.070 0.131 0.000 3.115 1017 H HA 0.095 4.651 4.556 -0.000 0.000 0.324 1017 H C 1.404 176.802 175.328 0.117 0.000 1.007 1017 H CA 1.782 57.889 56.048 0.098 0.000 1.385 1017 H CB 0.197 29.972 29.762 0.021 0.000 1.351 1017 H HN 0.662 nan 8.280 nan 0.000 0.592 1018 G N 2.812 111.220 108.800 -0.653 0.000 2.189 1018 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 1018 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 1018 G C -0.281 174.636 174.900 0.027 0.000 0.975 1018 G CA 0.668 45.567 45.100 -0.336 0.000 0.644 1018 G HN 0.762 nan 8.290 nan 0.000 0.537 1019 Y N 0.878 121.159 120.300 -0.031 0.000 2.391 1019 Y HA 0.612 5.162 4.550 -0.000 0.000 0.341 1019 Y C -1.404 174.603 175.900 0.180 0.000 0.965 1019 Y CA -1.521 56.612 58.100 0.056 0.000 1.067 1019 Y CB 2.296 40.757 38.460 0.002 0.000 1.199 1019 Y HN 0.051 nan 8.280 nan 0.000 0.450 1020 D N 7.623 127.715 120.400 -0.513 0.000 2.476 1020 D HA 0.354 4.994 4.640 -0.000 0.000 0.251 1020 D C -2.393 173.561 176.300 -0.577 0.000 1.291 1020 D CA -2.348 51.426 54.000 -0.377 0.000 0.939 1020 D CB 2.585 43.222 40.800 -0.271 0.000 1.221 1020 D HN 0.246 nan 8.370 nan 0.000 0.567 1021 P HA -0.165 nan 4.420 nan 0.000 0.217 1021 P C 1.184 178.437 177.300 -0.078 0.000 1.148 1021 P CA 0.981 63.986 63.100 -0.158 0.000 0.828 1021 P CB 0.209 31.962 31.700 0.089 0.000 0.783 1022 Q N -0.439 119.292 119.800 -0.115 0.000 2.515 1022 Q HA -0.182 4.158 4.340 -0.000 0.000 0.215 1022 Q C 0.522 176.437 176.000 -0.142 0.000 0.983 1022 Q CA 1.183 56.925 55.803 -0.102 0.000 0.905 1022 Q CB -0.378 28.292 28.738 -0.114 0.000 0.961 1022 Q HN 0.217 nan 8.270 nan 0.000 0.503 1023 D N -1.146 119.120 120.400 -0.222 0.000 2.407 1023 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 1023 D C -0.252 175.676 176.300 -0.621 0.000 1.083 1023 D CA 0.391 54.151 54.000 -0.399 0.000 0.844 1023 D CB 0.438 40.941 40.800 -0.495 0.000 0.967 1023 D HN 0.357 nan 8.370 nan 0.000 0.506 1024 H N -1.024 118.029 119.070 -0.028 0.000 2.624 1024 H HA 0.422 4.978 4.556 -0.000 0.000 0.233 1024 H C 1.063 176.433 175.328 0.071 0.000 1.376 1024 H CA -0.078 56.013 56.048 0.072 0.000 1.137 1024 H CB 0.777 30.658 29.762 0.197 0.000 1.867 1024 H HN -0.002 nan 8.280 nan 0.000 0.547 1025 G N 0.240 109.088 108.800 0.079 0.000 2.168 1025 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 1025 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 1025 G C 1.300 176.240 174.900 0.066 0.000 0.997 1025 G CA 0.484 45.622 45.100 0.063 0.000 0.708 1025 G HN 1.283 nan 8.290 nan 0.000 0.520 1026 G N -1.470 107.373 108.800 0.071 0.000 2.162 1026 G HA2 0.155 4.115 3.960 -0.000 0.000 0.260 1026 G HA3 0.155 4.115 3.960 -0.000 0.000 0.260 1026 G C 0.851 175.819 174.900 0.112 0.000 0.976 1026 G CA 1.170 46.312 45.100 0.070 0.000 0.655 1026 G HN 2.343 nan 8.290 nan 0.000 0.533 1027 A N 0.360 123.276 122.820 0.159 0.000 2.524 1027 A HA 0.612 4.932 4.320 -0.000 0.000 0.250 1027 A C 1.481 179.209 177.584 0.239 0.000 1.078 1027 A CA 0.523 52.660 52.037 0.167 0.000 0.761 1027 A CB 0.330 19.431 19.000 0.169 0.000 1.012 1027 A HN 0.773 nan 8.150 nan 0.000 0.500 1028 L N 3.164 124.480 121.223 0.155 0.000 2.044 1028 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 1028 L C 0.524 177.456 176.870 0.103 0.000 1.075 1028 L CA 1.525 56.458 54.840 0.156 0.000 0.747 1028 L CB -0.076 42.026 42.059 0.072 0.000 0.903 1028 L HN 0.490 nan 8.230 nan 0.000 0.435 1029 V N 2.486 122.396 119.914 -0.006 0.000 2.406 1029 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 1029 V C -1.984 173.980 176.094 -0.218 0.000 1.043 1029 V CA -1.452 60.761 62.300 -0.143 0.000 0.915 1029 V CB 0.905 32.660 31.823 -0.114 0.000 0.988 1029 V HN 0.210 nan 8.190 nan 0.000 0.466 1030 P HA 0.171 nan 4.420 nan 0.000 0.264 1030 P C -2.576 174.589 177.300 -0.226 0.000 1.193 1030 P CA -1.098 61.660 63.100 -0.571 0.000 0.763 1030 P CB -0.223 30.843 31.700 -1.056 0.000 0.810 1031 P HA 0.008 nan 4.420 nan 0.000 0.264 1031 P C -0.262 176.999 177.300 -0.065 0.000 1.193 1031 P CA 0.149 63.201 63.100 -0.081 0.000 0.763 1031 P CB 0.175 31.824 31.700 -0.085 0.000 0.810 1032 V N 4.846 124.706 119.914 -0.091 0.000 2.439 1032 V HA -0.017 4.103 4.120 -0.000 0.000 0.271 1032 V C 0.228 176.277 176.094 -0.076 0.000 1.040 1032 V CA 0.037 62.316 62.300 -0.035 0.000 1.002 1032 V CB -0.794 31.009 31.823 -0.035 0.000 1.000 1032 V HN 0.402 nan 8.190 nan 0.000 0.477 1033 Y N 3.461 123.740 120.300 -0.036 0.000 2.667 1033 Y HA 0.235 4.785 4.550 -0.000 0.000 0.340 1033 Y C 1.128 177.008 175.900 -0.034 0.000 1.303 1033 Y CA -0.178 57.910 58.100 -0.020 0.000 1.769 1033 Y CB 0.093 38.579 38.460 0.043 0.000 1.804 1033 Y HN 0.630 nan 8.280 nan 0.000 0.451 1034 Q N 1.806 121.599 119.800 -0.011 0.000 3.254 1034 Q HA 0.112 4.452 4.340 -0.000 0.000 0.315 1034 Q C -0.277 175.683 176.000 -0.068 0.000 1.405 1034 Q CA 0.037 55.829 55.803 -0.020 0.000 0.966 1034 Q CB -0.071 28.648 28.738 -0.032 0.000 1.706 1034 Q HN 0.417 nan 8.270 nan 0.000 0.525 1035 T N -1.062 113.448 114.554 -0.074 0.000 2.900 1035 T HA 0.729 5.079 4.350 -0.000 0.000 0.295 1035 T C 0.268 174.880 174.700 -0.147 0.000 1.044 1035 T CA 0.025 62.017 62.100 -0.179 0.000 0.995 1035 T CB 1.395 70.030 68.868 -0.387 0.000 1.072 1035 T HN 0.333 nan 8.240 nan 0.000 0.473 1036 A N 2.879 125.608 122.820 -0.153 0.000 1.871 1036 A HA 0.370 4.690 4.320 -0.000 0.000 0.211 1036 A C 1.290 178.818 177.584 -0.093 0.000 1.207 1036 A CA 0.681 52.622 52.037 -0.159 0.000 0.620 1036 A CB -0.553 18.366 19.000 -0.135 0.000 0.860 1036 A HN 0.680 nan 8.150 nan 0.000 0.450 1037 T N -0.631 113.905 114.554 -0.030 0.000 2.925 1037 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 1037 T C -1.483 173.157 174.700 -0.101 0.000 1.021 1037 T CA -0.351 61.840 62.100 0.152 0.000 1.042 1037 T CB 0.344 69.338 68.868 0.211 0.000 1.037 1037 T HN 0.078 nan 8.240 nan 0.000 0.481 1038 F N 1.587 121.564 119.950 0.045 0.000 2.532 1038 F HA 0.513 5.040 4.527 -0.000 0.000 0.321 1038 F C 0.993 176.641 175.800 -0.253 0.000 1.089 1038 F CA -0.789 57.198 58.000 -0.021 0.000 0.926 1038 F CB 2.045 41.096 39.000 0.085 0.000 1.168 1038 F HN 0.551 nan 8.300 nan 0.000 0.459 1039 T N -0.710 113.754 114.554 -0.151 0.000 2.936 1039 T HA 0.775 5.125 4.350 -0.000 0.000 0.282 1039 T C -0.710 173.763 174.700 -0.379 0.000 1.003 1039 T CA -0.523 61.325 62.100 -0.420 0.000 1.005 1039 T CB 0.987 69.743 68.868 -0.186 0.000 1.097 1039 T HN 0.283 nan 8.240 nan 0.000 0.532 1040 F N 0.266 120.279 119.950 0.106 0.000 2.556 1040 F HA 0.514 5.041 4.527 -0.000 0.000 0.327 1040 F C -1.265 174.516 175.800 -0.031 0.000 1.059 1040 F CA -2.521 55.502 58.000 0.038 0.000 0.953 1040 F CB 1.380 40.507 39.000 0.211 0.000 1.227 1040 F HN 0.389 nan 8.300 nan 0.000 0.478 1041 P HA 0.076 nan 4.420 nan 0.000 0.230 1041 P C -0.119 177.237 177.300 0.093 0.000 1.168 1041 P CA 0.720 63.832 63.100 0.019 0.000 0.793 1041 P CB 0.336 31.984 31.700 -0.087 0.000 0.851 1042 T N -4.090 110.566 114.554 0.170 0.000 2.821 1042 T HA 0.321 4.671 4.350 -0.000 0.000 0.306 1042 T C 0.923 175.741 174.700 0.197 0.000 1.313 1042 T CA -0.250 61.944 62.100 0.157 0.000 1.012 1042 T CB 1.629 70.570 68.868 0.123 0.000 1.298 1042 T HN -0.191 nan 8.240 nan 0.000 0.502 1043 V N -0.768 119.234 119.914 0.147 0.000 2.515 1043 V HA -0.029 4.091 4.120 -0.000 0.000 0.250 1043 V C 2.234 178.355 176.094 0.045 0.000 1.058 1043 V CA 1.731 64.106 62.300 0.125 0.000 1.064 1043 V CB -1.411 30.471 31.823 0.099 0.000 0.675 1043 V HN 0.887 nan 8.190 nan 0.000 0.461 1044 E N 0.264 120.496 120.200 0.053 0.000 2.033 1044 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 1044 E C 2.002 178.588 176.600 -0.024 0.000 1.011 1044 E CA 2.170 58.579 56.400 0.017 0.000 0.815 1044 E CB -0.684 29.039 29.700 0.039 0.000 0.755 1044 E HN 0.794 nan 8.360 nan 0.000 0.451 1045 Y N 0.733 120.982 120.300 -0.086 0.000 2.114 1045 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 1045 Y C 2.264 177.941 175.900 -0.371 0.000 1.165 1045 Y CA 2.056 60.079 58.100 -0.128 0.000 1.148 1045 Y CB -0.759 37.691 38.460 -0.015 0.000 0.972 1045 Y HN 0.080 nan 8.280 nan 0.000 0.504 1046 G N -0.297 108.230 108.800 -0.455 0.000 2.440 1046 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 1046 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 1046 G C 1.825 176.250 174.900 -0.792 0.000 1.154 1046 G CA 1.165 45.386 45.100 -1.466 0.000 0.767 1046 G HN 0.645 nan 8.290 nan 0.000 0.552 1047 A N 1.295 123.942 122.820 -0.288 0.000 1.877 1047 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 1047 A C 2.871 180.342 177.584 -0.188 0.000 1.186 1047 A CA 2.490 54.475 52.037 -0.086 0.000 0.620 1047 A CB -1.006 17.959 19.000 -0.060 0.000 0.822 1047 A HN 0.891 nan 8.150 nan 0.000 0.443 1048 A N -0.757 121.894 122.820 -0.282 0.000 1.859 1048 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 1048 A C 2.378 179.751 177.584 -0.351 0.000 1.198 1048 A CA 1.910 53.769 52.037 -0.296 0.000 0.629 1048 A CB -1.526 17.255 19.000 -0.364 0.000 0.830 1048 A HN 0.623 nan 8.150 nan 0.000 0.446 1049 C N -1.779 117.188 119.300 -0.557 0.000 2.386 1049 C HA -0.176 4.284 4.460 -0.000 0.000 0.279 1049 C C 2.463 177.215 174.990 -0.396 0.000 1.208 1049 C CA 1.218 59.942 59.018 -0.491 0.000 1.747 1049 C CB -1.868 25.521 27.740 -0.584 0.000 2.046 1049 C HN 0.651 nan 8.230 nan 0.000 0.453 1050 F N 1.256 120.920 119.950 -0.476 0.000 2.147 1050 F HA -0.272 4.255 4.527 -0.000 0.000 0.301 1050 F C 2.490 178.116 175.800 -0.290 0.000 1.084 1050 F CA 1.481 59.156 58.000 -0.542 0.000 1.268 1050 F CB -0.509 38.196 39.000 -0.492 0.000 1.009 1050 F HN 0.268 nan 8.300 nan 0.000 0.486 1051 A N -0.656 122.133 122.820 -0.051 0.000 1.930 1051 A HA 0.316 4.636 4.320 -0.000 0.000 0.215 1051 A C 2.025 179.580 177.584 -0.049 0.000 1.176 1051 A CA 1.392 53.399 52.037 -0.049 0.000 0.632 1051 A CB -0.862 18.101 19.000 -0.063 0.000 0.819 1051 A HN 0.623 nan 8.150 nan 0.000 0.445 1052 G N -1.227 107.525 108.800 -0.080 0.000 2.175 1052 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.182 1052 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.182 1052 G C 0.399 175.250 174.900 -0.083 0.000 1.003 1052 G CA 0.503 45.565 45.100 -0.063 0.000 0.666 1052 G HN 0.518 nan 8.290 nan 0.000 0.506 1053 E N -0.439 119.695 120.200 -0.109 0.000 2.299 1053 E HA 0.120 4.470 4.350 -0.000 0.000 0.193 1053 E C 0.997 177.519 176.600 -0.130 0.000 0.998 1053 E CA 0.486 56.824 56.400 -0.103 0.000 0.851 1053 E CB 0.277 29.918 29.700 -0.099 0.000 0.795 1053 E HN 0.412 nan 8.360 nan 0.000 0.492 1054 Q N 0.431 120.111 119.800 -0.200 0.000 2.340 1054 Q HA 0.476 4.816 4.340 -0.000 0.000 0.268 1054 Q C -1.232 174.642 176.000 -0.210 0.000 1.031 1054 Q CA -0.544 55.113 55.803 -0.243 0.000 0.804 1054 Q CB 2.157 30.609 28.738 -0.476 0.000 1.286 1054 Q HN 0.116 nan 8.270 nan 0.000 0.448 1055 A N 1.828 124.579 122.820 -0.114 0.000 2.451 1055 A HA 0.642 4.962 4.320 -0.000 0.000 0.266 1055 A C 0.337 177.902 177.584 -0.031 0.000 1.119 1055 A CA 0.939 52.930 52.037 -0.076 0.000 0.786 1055 A CB 0.047 19.029 19.000 -0.030 0.000 1.061 1055 A HN 0.792 nan 8.150 nan 0.000 0.503 1056 G N 1.668 110.410 108.800 -0.097 0.000 2.321 1056 G HA2 0.499 4.459 3.960 -0.000 0.000 0.296 1056 G HA3 0.499 4.459 3.960 -0.000 0.000 0.296 1056 G C -1.288 173.452 174.900 -0.267 0.000 1.287 1056 G CA -0.801 44.304 45.100 0.008 0.000 0.846 1056 G HN 0.824 nan 8.290 nan 0.000 0.508 1057 H N -1.012 117.998 119.070 -0.100 0.000 2.834 1057 H HA 0.601 5.157 4.556 -0.000 0.000 0.369 1057 H C -0.248 175.094 175.328 0.024 0.000 1.174 1057 H CA -0.129 55.685 56.048 -0.391 0.000 1.165 1057 H CB 2.108 31.125 29.762 -1.242 0.000 1.820 1057 H HN 0.656 nan 8.280 nan 0.000 0.558 1058 F N -1.608 118.448 119.950 0.177 0.000 3.064 1058 F HA 0.353 4.880 4.527 -0.000 0.000 0.384 1058 F C -1.182 174.941 175.800 0.538 0.000 1.083 1058 F CA -0.510 57.717 58.000 0.380 0.000 1.037 1058 F CB 0.890 40.054 39.000 0.274 0.000 1.322 1058 F HN 0.323 nan 8.300 nan 0.000 0.535 1059 Y N 0.592 120.834 120.300 -0.098 0.000 2.380 1059 Y HA 0.379 4.929 4.550 -0.000 0.000 0.320 1059 Y C 0.547 176.416 175.900 -0.051 0.000 1.272 1059 Y CA -1.270 56.875 58.100 0.075 0.000 1.165 1059 Y CB 1.483 40.050 38.460 0.178 0.000 1.319 1059 Y HN -0.057 nan 8.280 nan 0.000 0.443 1060 S N 3.175 118.750 115.700 -0.208 0.000 2.406 1060 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 1060 S C 1.911 176.425 174.600 -0.144 0.000 1.020 1060 S CA 1.143 59.267 58.200 -0.127 0.000 0.965 1060 S CB -0.097 63.066 63.200 -0.063 0.000 0.798 1060 S HN 0.712 nan 8.310 nan 0.000 0.488 1061 R N 0.706 121.074 120.500 -0.220 0.000 2.103 1061 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 1061 R C 1.713 178.039 176.300 0.043 0.000 1.142 1061 R CA 1.468 57.556 56.100 -0.021 0.000 0.960 1061 R CB -0.315 30.066 30.300 0.135 0.000 0.858 1061 R HN 0.277 nan 8.270 nan 0.000 0.439 1062 I N -0.583 120.022 120.570 0.060 0.000 2.162 1062 I HA -0.076 4.094 4.170 -0.000 0.000 0.238 1062 I C 0.811 176.900 176.117 -0.048 0.000 1.076 1062 I CA 1.321 62.634 61.300 0.022 0.000 1.353 1062 I CB -0.080 37.908 38.000 -0.021 0.000 1.063 1062 I HN 0.142 nan 8.210 nan 0.000 0.408 1063 S N 0.231 115.859 115.700 -0.120 0.000 2.563 1063 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 1063 S C -1.157 173.445 174.600 0.003 0.000 1.155 1063 S CA -0.936 57.219 58.200 -0.074 0.000 0.928 1063 S CB 0.866 63.986 63.200 -0.132 0.000 1.107 1063 S HN 0.229 nan 8.310 nan 0.000 0.462 1064 N N 3.387 122.093 118.700 0.011 0.000 2.314 1064 N HA 0.531 5.271 4.740 -0.000 0.000 0.304 1064 N C -2.276 173.133 175.510 -0.167 0.000 1.073 1064 N CA -2.137 50.868 53.050 -0.076 0.000 0.822 1064 N CB 2.236 40.723 38.487 -0.000 0.000 1.280 1064 N HN 0.319 nan 8.380 nan 0.000 0.489 1065 P HA -0.022 nan 4.420 nan 0.000 0.218 1065 P C 0.934 178.097 177.300 -0.228 0.000 1.149 1065 P CA 1.433 64.225 63.100 -0.512 0.000 0.817 1065 P CB 0.289 31.352 31.700 -1.062 0.000 0.785 1066 T N -0.655 113.833 114.554 -0.110 0.000 2.904 1066 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 1066 T C 1.495 176.173 174.700 -0.036 0.000 1.059 1066 T CA 0.905 62.990 62.100 -0.024 0.000 1.137 1066 T CB -0.605 68.292 68.868 0.049 0.000 0.879 1066 T HN -0.036 nan 8.240 nan 0.000 0.467 1067 L N 1.553 122.760 121.223 -0.026 0.000 2.240 1067 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 1067 L C 2.152 179.018 176.870 -0.007 0.000 1.106 1067 L CA 1.031 55.863 54.840 -0.013 0.000 0.793 1067 L CB -0.690 41.367 42.059 -0.003 0.000 0.927 1067 L HN 0.126 nan 8.230 nan 0.000 0.446 1068 N N -0.631 118.064 118.700 -0.008 0.000 2.188 1068 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 1068 N C 1.745 177.262 175.510 0.011 0.000 1.018 1068 N CA 0.880 53.936 53.050 0.010 0.000 0.858 1068 N CB -0.251 38.252 38.487 0.028 0.000 0.989 1068 N HN 0.169 nan 8.380 nan 0.000 0.426 1069 L N 0.578 121.797 121.223 -0.008 0.000 2.109 1069 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 1069 L C 1.897 178.768 176.870 0.000 0.000 1.086 1069 L CA 1.062 55.900 54.840 -0.003 0.000 0.760 1069 L CB -0.929 41.107 42.059 -0.039 0.000 0.910 1069 L HN 0.086 nan 8.230 nan 0.000 0.437 1070 L N -0.052 121.161 121.223 -0.016 0.000 1.994 1070 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1070 L C 2.323 179.198 176.870 0.008 0.000 1.071 1070 L CA 1.933 56.764 54.840 -0.015 0.000 0.745 1070 L CB -0.903 41.144 42.059 -0.021 0.000 0.892 1070 L HN 0.406 nan 8.230 nan 0.000 0.431 1071 E N -0.096 120.115 120.200 0.017 0.000 2.038 1071 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 1071 E C 2.186 178.816 176.600 0.049 0.000 1.000 1071 E CA 1.450 57.868 56.400 0.031 0.000 0.803 1071 E CB -0.473 29.244 29.700 0.030 0.000 0.750 1071 E HN 0.667 nan 8.360 nan 0.000 0.448 1072 A N 1.186 124.046 122.820 0.066 0.000 1.933 1072 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 1072 A C 2.093 179.796 177.584 0.199 0.000 1.175 1072 A CA 1.648 53.759 52.037 0.122 0.000 0.628 1072 A CB -0.427 18.640 19.000 0.112 0.000 0.814 1072 A HN 0.072 nan 8.150 nan 0.000 0.444 1073 R N -1.338 119.259 120.500 0.162 0.000 2.061 1073 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 1073 R C 2.228 178.528 176.300 -0.000 0.000 1.140 1073 R CA 1.796 57.986 56.100 0.150 0.000 0.940 1073 R CB -0.317 30.018 30.300 0.058 0.000 0.839 1073 R HN 0.370 nan 8.270 nan 0.000 0.429 1074 M N 0.402 119.996 119.600 -0.011 0.000 2.108 1074 M HA -0.195 4.285 4.480 -0.000 0.000 0.257 1074 M C 2.359 178.646 176.300 -0.021 0.000 1.071 1074 M CA 1.951 57.232 55.300 -0.032 0.000 1.093 1074 M CB -1.181 31.415 32.600 -0.006 0.000 1.345 1074 M HN 0.379 nan 8.290 nan 0.000 0.403 1075 A N -0.731 122.091 122.820 0.002 0.000 1.917 1075 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 1075 A C 2.485 180.032 177.584 -0.063 0.000 1.182 1075 A CA 2.522 54.559 52.037 -0.000 0.000 0.633 1075 A CB -1.003 18.014 19.000 0.028 0.000 0.819 1075 A HN 0.531 nan 8.150 nan 0.000 0.448 1076 S N -0.601 114.997 115.700 -0.170 0.000 2.368 1076 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 1076 S C 1.975 176.444 174.600 -0.218 0.000 1.029 1076 S CA 1.292 59.299 58.200 -0.322 0.000 0.988 1076 S CB -0.498 62.214 63.200 -0.812 0.000 0.838 1076 S HN 0.480 nan 8.310 nan 0.000 0.462 1077 L N 1.089 122.177 121.223 -0.225 0.000 2.012 1077 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 1077 L C 2.596 179.489 176.870 0.039 0.000 1.073 1077 L CA 1.482 56.187 54.840 -0.225 0.000 0.748 1077 L CB -0.632 41.253 42.059 -0.289 0.000 0.891 1077 L HN 0.368 nan 8.230 nan 0.000 0.431 1078 E N -0.032 120.196 120.200 0.047 0.000 2.481 1078 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 1078 E C 1.236 177.873 176.600 0.061 0.000 1.047 1078 E CA 0.726 57.186 56.400 0.099 0.000 0.867 1078 E CB 0.158 29.928 29.700 0.117 0.000 0.858 1078 E HN 0.563 nan 8.360 nan 0.000 0.513 1079 G N 1.319 110.132 108.800 0.020 0.000 2.225 1079 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.264 1079 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.264 1079 G C 0.467 175.374 174.900 0.011 0.000 1.060 1079 G CA 0.246 45.352 45.100 0.010 0.000 0.833 1079 G HN 0.482 nan 8.290 nan 0.000 0.498 1080 G N -1.600 107.206 108.800 0.010 0.000 2.705 1080 G HA2 0.660 4.620 3.960 -0.000 0.000 0.299 1080 G HA3 0.660 4.620 3.960 -0.000 0.000 0.299 1080 G C 0.449 175.359 174.900 0.017 0.000 1.315 1080 G CA 0.436 45.547 45.100 0.019 0.000 1.045 1080 G HN 0.255 nan 8.290 nan 0.000 0.517 1081 E N -1.409 118.805 120.200 0.024 0.000 2.127 1081 E HA 0.413 4.763 4.350 -0.000 0.000 0.191 1081 E C 0.905 177.526 176.600 0.033 0.000 0.964 1081 E CA 0.689 57.106 56.400 0.027 0.000 0.832 1081 E CB 0.379 30.095 29.700 0.026 0.000 0.790 1081 E HN 0.578 nan 8.360 nan 0.000 0.465 1082 A N -0.554 122.287 122.820 0.034 0.000 2.609 1082 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 1082 A C -0.490 177.119 177.584 0.041 0.000 1.096 1082 A CA -0.250 51.809 52.037 0.038 0.000 0.684 1082 A CB 1.653 20.672 19.000 0.033 0.000 1.282 1082 A HN 0.191 nan 8.150 nan 0.000 0.412 1083 G N -1.172 107.654 108.800 0.043 0.000 2.733 1083 G HA2 0.772 4.732 3.960 -0.000 0.000 0.288 1083 G HA3 0.772 4.732 3.960 -0.000 0.000 0.288 1083 G C -1.893 173.033 174.900 0.043 0.000 1.373 1083 G CA -0.485 44.644 45.100 0.048 0.000 0.895 1083 G HN 1.701 nan 8.290 nan 0.000 0.479 1084 L N -0.309 120.943 121.223 0.047 0.000 2.513 1084 L HA 0.829 5.169 4.340 -0.000 0.000 0.261 1084 L C -0.353 176.543 176.870 0.043 0.000 0.945 1084 L CA -0.527 54.337 54.840 0.040 0.000 0.848 1084 L CB 1.919 44.002 42.059 0.041 0.000 1.334 1084 L HN 1.033 nan 8.230 nan 0.000 0.407 1085 A N 4.584 127.424 122.820 0.033 0.000 2.312 1085 A HA 0.878 5.198 4.320 -0.000 0.000 0.326 1085 A C -1.289 176.314 177.584 0.032 0.000 1.172 1085 A CA -0.352 51.704 52.037 0.031 0.000 0.821 1085 A CB 0.768 19.779 19.000 0.019 0.000 1.166 1085 A HN 0.647 nan 8.150 nan 0.000 0.493 1086 L N 0.725 121.969 121.223 0.036 0.000 2.350 1086 L HA 0.602 4.942 4.340 -0.000 0.000 0.260 1086 L C 1.426 178.315 176.870 0.032 0.000 1.015 1086 L CA -0.091 54.770 54.840 0.035 0.000 0.821 1086 L CB 1.739 43.821 42.059 0.039 0.000 1.370 1086 L HN 0.789 nan 8.230 nan 0.000 0.416 1087 A N 0.483 123.321 122.820 0.030 0.000 2.139 1087 A HA 0.096 4.416 4.320 -0.000 0.000 0.221 1087 A C 0.701 178.305 177.584 0.033 0.000 1.159 1087 A CA 1.732 53.787 52.037 0.030 0.000 0.662 1087 A CB -0.667 18.351 19.000 0.029 0.000 0.796 1087 A HN 0.824 nan 8.150 nan 0.000 0.463 1088 S N -5.610 110.111 115.700 0.035 0.000 2.645 1088 S HA 0.471 4.941 4.470 -0.000 0.000 0.268 1088 S C 0.874 175.498 174.600 0.041 0.000 1.110 1088 S CA 0.102 58.325 58.200 0.038 0.000 0.823 1088 S CB 0.568 63.793 63.200 0.041 0.000 1.091 1088 S HN 0.936 nan 8.310 nan 0.000 0.466 1089 G N 0.784 109.610 108.800 0.043 0.000 2.459 1089 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 1089 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 1089 G C 1.192 176.119 174.900 0.044 0.000 1.183 1089 G CA 1.385 46.510 45.100 0.043 0.000 0.776 1089 G HN 0.539 nan 8.290 nan 0.000 0.552 1090 M N 1.294 120.926 119.600 0.054 0.000 2.149 1090 M HA 0.006 4.486 4.480 -0.000 0.000 0.261 1090 M C 2.763 179.035 176.300 -0.046 0.000 1.064 1090 M CA 1.042 56.357 55.300 0.024 0.000 1.102 1090 M CB -1.595 31.035 32.600 0.049 0.000 1.369 1090 M HN 0.266 nan 8.290 nan 0.000 0.408 1091 G N -0.845 107.950 108.800 -0.007 0.000 2.448 1091 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.219 1091 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.219 1091 G C 1.608 176.510 174.900 0.003 0.000 1.127 1091 G CA 1.096 46.194 45.100 -0.005 0.000 0.766 1091 G HN 0.560 nan 8.290 nan 0.000 0.552 1092 A N 1.072 123.901 122.820 0.016 0.000 1.874 1092 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 1092 A C 2.364 179.958 177.584 0.018 0.000 1.189 1092 A CA 1.380 53.437 52.037 0.033 0.000 0.615 1092 A CB -0.362 18.672 19.000 0.057 0.000 0.830 1092 A HN 0.686 nan 8.150 nan 0.000 0.443 1093 I N -0.486 120.082 120.570 -0.003 0.000 2.202 1093 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 1093 I C 2.392 178.434 176.117 -0.125 0.000 1.091 1093 I CA 2.570 63.847 61.300 -0.038 0.000 1.368 1093 I CB -0.844 37.145 38.000 -0.019 0.000 1.058 1093 I HN 0.343 nan 8.210 nan 0.000 0.410 1094 T N -1.347 113.040 114.554 -0.277 0.000 2.708 1094 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 1094 T C 2.010 176.706 174.700 -0.007 0.000 1.037 1094 T CA 1.711 63.546 62.100 -0.441 0.000 1.146 1094 T CB -1.071 67.414 68.868 -0.639 0.000 0.865 1094 T HN 0.432 nan 8.240 nan 0.000 0.435 1095 S N 1.181 116.915 115.700 0.057 0.000 2.383 1095 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 1095 S C 2.274 176.950 174.600 0.127 0.000 1.030 1095 S CA 1.758 60.038 58.200 0.134 0.000 1.002 1095 S CB -0.906 62.342 63.200 0.081 0.000 0.829 1095 S HN 0.717 nan 8.310 nan 0.000 0.467 1096 T N 2.641 117.238 114.554 0.070 0.000 2.732 1096 T HA 0.127 4.477 4.350 -0.000 0.000 0.261 1096 T C 1.786 176.525 174.700 0.065 0.000 1.040 1096 T CA 0.819 62.958 62.100 0.064 0.000 1.145 1096 T CB -0.368 68.528 68.868 0.046 0.000 0.866 1096 T HN 0.243 nan 8.240 nan 0.000 0.427 1097 L N -0.920 120.318 121.223 0.023 0.000 2.083 1097 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 1097 L C 2.412 179.314 176.870 0.054 0.000 1.083 1097 L CA 1.376 56.206 54.840 -0.016 0.000 0.752 1097 L CB -0.566 41.445 42.059 -0.080 0.000 0.899 1097 L HN 0.407 nan 8.230 nan 0.000 0.433 1098 W N 0.208 121.565 121.300 0.095 0.000 2.392 1098 W HA -0.209 4.451 4.660 -0.000 0.000 0.279 1098 W C 2.794 179.324 176.519 0.019 0.000 1.225 1098 W CA 1.224 58.603 57.345 0.057 0.000 1.233 1098 W CB 0.053 29.537 29.460 0.039 0.000 1.122 1098 W HN 0.212 nan 8.180 nan 0.000 0.561 1099 T N -1.849 112.855 114.554 0.249 0.000 3.037 1099 T HA 0.041 4.391 4.350 -0.000 0.000 0.251 1099 T C 1.366 176.129 174.700 0.106 0.000 1.079 1099 T CA 0.519 62.710 62.100 0.152 0.000 1.067 1099 T CB -0.167 68.768 68.868 0.112 0.000 0.948 1099 T HN 0.074 nan 8.240 nan 0.000 0.496 1100 L N 0.390 121.668 121.223 0.091 0.000 2.585 1100 L HA 0.514 4.854 4.340 -0.000 0.000 0.226 1100 L C 0.071 176.970 176.870 0.050 0.000 1.113 1100 L CA -0.036 54.840 54.840 0.060 0.000 0.876 1100 L CB 0.160 42.247 42.059 0.047 0.000 1.072 1100 L HN 0.210 nan 8.230 nan 0.000 0.468 1101 L N -0.087 121.173 121.223 0.062 0.000 2.354 1101 L HA 0.636 4.976 4.340 -0.000 0.000 0.269 1101 L C -0.422 176.498 176.870 0.083 0.000 1.005 1101 L CA -0.735 54.131 54.840 0.043 0.000 0.819 1101 L CB 1.913 43.962 42.059 -0.017 0.000 1.311 1101 L HN -0.062 nan 8.230 nan 0.000 0.423 1102 R N 1.119 121.656 120.500 0.062 0.000 2.799 1102 R HA 0.511 4.851 4.340 -0.000 0.000 0.270 1102 R C -2.745 173.591 176.300 0.061 0.000 1.010 1102 R CA -2.469 53.679 56.100 0.080 0.000 0.916 1102 R CB 1.832 32.170 30.300 0.063 0.000 1.228 1102 R HN 0.200 nan 8.270 nan 0.000 0.469 1103 P HA 0.034 nan 4.420 nan 0.000 0.264 1103 P C 0.669 177.986 177.300 0.028 0.000 1.179 1103 P CA 1.315 64.449 63.100 0.056 0.000 0.763 1103 P CB 0.435 32.176 31.700 0.068 0.000 0.806 1104 G N 1.296 110.103 108.800 0.010 0.000 2.241 1104 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 1104 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 1104 G C 0.016 174.914 174.900 -0.003 0.000 0.998 1104 G CA -0.153 44.948 45.100 0.003 0.000 0.621 1104 G HN 0.521 nan 8.290 nan 0.000 0.519 1105 D N 0.836 121.234 120.400 -0.004 0.000 2.329 1105 D HA 0.561 5.201 4.640 -0.000 0.000 0.246 1105 D C 0.409 176.689 176.300 -0.033 0.000 1.111 1105 D CA 0.187 54.181 54.000 -0.010 0.000 0.941 1105 D CB 1.379 42.176 40.800 -0.004 0.000 1.169 1105 D HN 0.607 nan 8.370 nan 0.000 0.441 1106 E N 0.027 120.207 120.200 -0.033 0.000 2.248 1106 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 1106 E C -1.809 174.760 176.600 -0.051 0.000 0.877 1106 E CA -0.898 55.470 56.400 -0.053 0.000 0.759 1106 E CB 2.028 31.703 29.700 -0.041 0.000 1.182 1106 E HN 0.133 nan 8.360 nan 0.000 0.418 1107 V N 5.480 125.345 119.914 -0.082 0.000 2.531 1107 V HA 0.413 4.533 4.120 -0.000 0.000 0.301 1107 V C -1.506 174.549 176.094 -0.064 0.000 1.034 1107 V CA -0.803 61.460 62.300 -0.062 0.000 0.865 1107 V CB 1.438 33.204 31.823 -0.094 0.000 0.995 1107 V HN 0.700 nan 8.190 nan 0.000 0.424 1108 L N 7.573 128.791 121.223 -0.008 0.000 2.281 1108 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 1108 L C -0.194 176.712 176.870 0.060 0.000 1.074 1108 L CA 0.378 55.219 54.840 0.002 0.000 0.817 1108 L CB 1.025 43.096 42.059 0.021 0.000 1.168 1108 L HN 0.577 nan 8.230 nan 0.000 0.434 1109 L N 2.623 123.857 121.223 0.018 0.000 2.334 1109 L HA 0.689 5.029 4.340 -0.000 0.000 0.276 1109 L C 0.996 178.012 176.870 0.244 0.000 1.014 1109 L CA -0.773 54.147 54.840 0.133 0.000 0.815 1109 L CB 1.412 43.463 42.059 -0.014 0.000 1.268 1109 L HN 0.661 nan 8.230 nan 0.000 0.428 1110 G N 0.455 109.435 108.800 0.299 0.000 2.690 1110 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.239 1110 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.239 1110 G C 0.609 175.706 174.900 0.328 0.000 1.233 1110 G CA -0.293 44.954 45.100 0.245 0.000 0.847 1110 G HN 0.760 nan 8.290 nan 0.000 0.588 1111 N N -0.835 117.968 118.700 0.173 0.000 2.188 1111 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 1111 N C 1.386 176.867 175.510 -0.048 0.000 1.018 1111 N CA 1.558 54.641 53.050 0.056 0.000 0.858 1111 N CB -0.101 38.362 38.487 -0.039 0.000 0.989 1111 N HN 0.694 nan 8.380 nan 0.000 0.426 1112 T N -1.038 113.524 114.554 0.014 0.000 2.829 1112 T HA 0.713 5.063 4.350 -0.000 0.000 0.280 1112 T C -0.226 174.535 174.700 0.102 0.000 0.999 1112 T CA -0.769 61.312 62.100 -0.030 0.000 0.983 1112 T CB 1.888 70.706 68.868 -0.083 0.000 0.968 1112 T HN -0.098 nan 8.240 nan 0.000 0.446 1113 L N 2.150 123.459 121.223 0.143 0.000 2.376 1113 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 1113 L C -0.757 176.262 176.870 0.248 0.000 1.013 1113 L CA -1.705 53.300 54.840 0.276 0.000 0.822 1113 L CB 2.090 44.432 42.059 0.472 0.000 1.388 1113 L HN 0.767 nan 8.230 nan 0.000 0.413 1114 Y N 1.009 121.411 120.300 0.170 0.000 2.810 1114 Y HA 0.030 4.580 4.550 -0.000 0.000 0.332 1114 Y C 1.303 177.328 175.900 0.207 0.000 1.243 1114 Y CA 0.540 58.731 58.100 0.152 0.000 1.537 1114 Y CB 1.160 39.712 38.460 0.153 0.000 1.265 1114 Y HN 0.745 nan 8.280 nan 0.000 0.572 1115 G N 3.933 112.553 108.800 -0.300 0.000 2.740 1115 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.224 1115 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.224 1115 G C 1.479 176.282 174.900 -0.161 0.000 1.156 1115 G CA 1.544 46.507 45.100 -0.229 0.000 0.766 1115 G HN 0.820 nan 8.290 nan 0.000 0.623 1116 C N -0.155 118.848 119.300 -0.496 0.000 2.466 1116 C HA 0.082 4.542 4.460 -0.000 0.000 0.278 1116 C C 3.299 178.392 174.990 0.171 0.000 1.288 1116 C CA 1.446 60.401 59.018 -0.105 0.000 1.722 1116 C CB -0.951 26.735 27.740 -0.089 0.000 2.017 1116 C HN 0.627 nan 8.230 nan 0.000 0.488 1117 T N -0.295 114.416 114.554 0.262 0.000 2.962 1117 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 1117 T C 1.499 176.452 174.700 0.421 0.000 1.088 1117 T CA 1.350 63.692 62.100 0.404 0.000 1.127 1117 T CB -0.478 68.666 68.868 0.459 0.000 0.883 1117 T HN 0.545 nan 8.240 nan 0.000 0.493 1118 F N 1.834 121.937 119.950 0.254 0.000 2.098 1118 F HA 0.229 4.756 4.527 -0.000 0.000 0.294 1118 F C 2.556 178.563 175.800 0.345 0.000 1.107 1118 F CA 1.130 59.308 58.000 0.296 0.000 1.234 1118 F CB -0.784 38.333 39.000 0.196 0.000 1.002 1118 F HN 0.233 nan 8.300 nan 0.000 0.472 1119 A N 0.459 123.611 122.820 0.553 0.000 1.940 1119 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 1119 A C 2.112 179.925 177.584 0.381 0.000 1.176 1119 A CA 1.709 54.020 52.037 0.457 0.000 0.631 1119 A CB -1.648 17.506 19.000 0.257 0.000 0.814 1119 A HN 0.604 nan 8.150 nan 0.000 0.446 1120 F N 0.766 120.806 119.950 0.150 0.000 2.046 1120 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 1120 F C 1.869 177.656 175.800 -0.021 0.000 1.123 1120 F CA 1.821 59.852 58.000 0.052 0.000 1.199 1120 F CB -0.799 38.191 39.000 -0.017 0.000 0.972 1120 F HN 0.147 nan 8.300 nan 0.000 0.474 1121 L N -0.338 120.669 121.223 -0.360 0.000 2.012 1121 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 1121 L C 2.672 179.252 176.870 -0.483 0.000 1.073 1121 L CA 1.735 56.214 54.840 -0.602 0.000 0.748 1121 L CB -0.989 40.845 42.059 -0.375 0.000 0.891 1121 L HN 0.279 nan 8.230 nan 0.000 0.431 1122 H N -1.807 117.037 119.070 -0.376 0.000 2.512 1122 H HA 0.053 4.609 4.556 -0.000 0.000 0.279 1122 H C 1.075 176.146 175.328 -0.428 0.000 0.999 1122 H CA 0.841 56.636 56.048 -0.422 0.000 1.283 1122 H CB 0.461 29.867 29.762 -0.592 0.000 1.421 1122 H HN 0.509 nan 8.280 nan 0.000 0.554 1123 H N -1.128 117.953 119.070 0.019 0.000 3.058 1123 H HA 0.210 4.766 4.556 -0.000 0.000 0.266 1123 H C 1.281 176.683 175.328 0.123 0.000 1.135 1123 H CA 0.340 56.433 56.048 0.075 0.000 1.174 1123 H CB 1.413 31.249 29.762 0.122 0.000 1.581 1123 H HN 0.279 nan 8.280 nan 0.000 0.553 1124 G N 1.201 110.086 108.800 0.142 0.000 2.887 1124 G HA2 0.108 4.068 3.960 -0.000 0.000 0.210 1124 G HA3 0.108 4.068 3.960 -0.000 0.000 0.210 1124 G C 1.419 176.396 174.900 0.127 0.000 1.964 1124 G CA 0.040 45.274 45.100 0.222 0.000 0.738 1124 G HN 0.118 nan 8.290 nan 0.000 0.790 1125 I N 0.782 121.067 120.570 -0.476 0.000 2.185 1125 I HA -0.122 4.048 4.170 -0.000 0.000 0.246 1125 I C 2.745 178.784 176.117 -0.130 0.000 1.088 1125 I CA 1.718 62.754 61.300 -0.440 0.000 1.347 1125 I CB -1.103 36.367 38.000 -0.883 0.000 1.041 1125 I HN 0.311 nan 8.210 nan 0.000 0.415 1126 G N 1.037 109.664 108.800 -0.287 0.000 2.503 1126 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 1126 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 1126 G C 1.494 176.318 174.900 -0.128 0.000 1.131 1126 G CA 0.991 45.942 45.100 -0.248 0.000 0.756 1126 G HN 0.604 nan 8.290 nan 0.000 0.572 1127 E N -0.621 119.544 120.200 -0.058 0.000 2.502 1127 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 1127 E C 0.369 176.821 176.600 -0.246 0.000 1.062 1127 E CA -0.119 56.200 56.400 -0.135 0.000 0.867 1127 E CB 0.014 29.629 29.700 -0.141 0.000 0.888 1127 E HN 0.545 nan 8.360 nan 0.000 0.510 1128 F N 0.063 120.012 119.950 -0.002 0.000 2.750 1128 F HA 0.271 4.798 4.527 -0.000 0.000 0.297 1128 F C 1.391 177.206 175.800 0.025 0.000 1.138 1128 F CA 0.040 58.074 58.000 0.057 0.000 1.346 1128 F CB 1.100 40.212 39.000 0.187 0.000 0.965 1128 F HN 0.035 nan 8.300 nan 0.000 0.514 1129 G N -0.135 108.700 108.800 0.059 0.000 2.195 1129 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 1129 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 1129 G C 0.023 174.926 174.900 0.005 0.000 0.984 1129 G CA 0.037 45.154 45.100 0.029 0.000 0.633 1129 G HN 0.127 nan 8.290 nan 0.000 0.525 1130 V N 1.712 121.620 119.914 -0.011 0.000 2.546 1130 V HA 0.498 4.618 4.120 -0.000 0.000 0.284 1130 V C 0.713 176.734 176.094 -0.121 0.000 1.050 1130 V CA -0.026 62.234 62.300 -0.066 0.000 0.981 1130 V CB 1.690 33.447 31.823 -0.110 0.000 0.990 1130 V HN 0.485 nan 8.190 nan 0.000 0.474 1131 K N 6.149 126.481 120.400 -0.113 0.000 2.211 1131 K HA 0.582 4.902 4.320 -0.000 0.000 0.275 1131 K C -1.230 175.266 176.600 -0.173 0.000 1.024 1131 K CA -0.573 55.635 56.287 -0.132 0.000 0.887 1131 K CB 0.802 33.250 32.500 -0.087 0.000 1.084 1131 K HN 0.558 nan 8.250 nan 0.000 0.463 1132 L N 3.060 124.138 121.223 -0.241 0.000 2.365 1132 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 1132 L C -0.620 176.088 176.870 -0.270 0.000 1.000 1132 L CA -0.882 53.778 54.840 -0.300 0.000 0.819 1132 L CB 1.064 42.837 42.059 -0.478 0.000 1.284 1132 L HN 0.836 nan 8.230 nan 0.000 0.418 1133 R N 1.238 121.598 120.500 -0.232 0.000 2.574 1133 R HA 0.457 4.797 4.340 -0.000 0.000 0.288 1133 R C -1.176 175.033 176.300 -0.152 0.000 1.004 1133 R CA -0.555 55.456 56.100 -0.149 0.000 0.895 1133 R CB 1.719 31.981 30.300 -0.064 0.000 1.191 1133 R HN 0.711 nan 8.270 nan 0.000 0.444 1134 H N 3.216 122.322 119.070 0.060 0.000 2.527 1134 H HA 0.371 4.927 4.556 -0.000 0.000 0.321 1134 H C -0.233 175.120 175.328 0.041 0.000 1.087 1134 H CA -0.233 55.863 56.048 0.080 0.000 1.337 1134 H CB 1.736 31.570 29.762 0.119 0.000 1.440 1134 H HN 0.436 nan 8.280 nan 0.000 0.490 1135 V N 0.243 120.243 119.914 0.144 0.000 2.888 1135 V HA 0.194 4.314 4.120 -0.000 0.000 0.309 1135 V C -0.160 175.960 176.094 0.042 0.000 1.114 1135 V CA -1.230 61.109 62.300 0.064 0.000 0.940 1135 V CB 2.476 34.310 31.823 0.019 0.000 1.021 1135 V HN 0.599 nan 8.190 nan 0.000 0.426 1136 D N 4.556 124.964 120.400 0.014 0.000 2.382 1136 D HA 0.143 4.783 4.640 -0.000 0.000 0.259 1136 D C 0.943 177.230 176.300 -0.022 0.000 1.224 1136 D CA -0.131 53.877 54.000 0.013 0.000 0.894 1136 D CB 1.277 42.078 40.800 0.002 0.000 1.127 1136 D HN 0.571 nan 8.370 nan 0.000 0.487 1137 M N 3.248 122.806 119.600 -0.071 0.000 2.682 1137 M HA 0.030 4.510 4.480 -0.000 0.000 0.235 1137 M C 1.342 177.501 176.300 -0.235 0.000 1.114 1137 M CA 0.185 55.334 55.300 -0.252 0.000 1.053 1137 M CB -0.599 31.654 32.600 -0.577 0.000 1.599 1137 M HN 0.468 nan 8.290 nan 0.000 0.520 1138 A N -0.729 122.043 122.820 -0.081 0.000 2.220 1138 A HA 0.041 4.361 4.320 -0.000 0.000 0.211 1138 A C 0.663 178.218 177.584 -0.049 0.000 1.176 1138 A CA 0.209 52.194 52.037 -0.087 0.000 0.834 1138 A CB 0.049 19.033 19.000 -0.026 0.000 0.868 1138 A HN 0.280 nan 8.150 nan 0.000 0.488 1139 D N 0.558 120.935 120.400 -0.038 0.000 2.505 1139 D HA 0.329 4.969 4.640 -0.000 0.000 0.242 1139 D C 0.688 176.956 176.300 -0.054 0.000 1.136 1139 D CA -0.432 53.547 54.000 -0.035 0.000 0.954 1139 D CB 0.364 41.152 40.800 -0.020 0.000 1.002 1139 D HN -0.013 nan 8.370 nan 0.000 0.512 1140 L N 2.177 123.363 121.223 -0.061 0.000 2.189 1140 L HA -0.193 4.147 4.340 -0.000 0.000 0.214 1140 L C 2.277 179.114 176.870 -0.055 0.000 1.097 1140 L CA 1.631 56.433 54.840 -0.064 0.000 0.764 1140 L CB -0.569 41.459 42.059 -0.052 0.000 0.900 1140 L HN 0.469 nan 8.230 nan 0.000 0.436 1141 Q N -1.509 118.266 119.800 -0.041 0.000 2.049 1141 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 1141 Q C 2.374 178.350 176.000 -0.040 0.000 0.971 1141 Q CA 1.426 57.209 55.803 -0.034 0.000 0.833 1141 Q CB -0.230 28.494 28.738 -0.023 0.000 0.896 1141 Q HN 0.561 nan 8.270 nan 0.000 0.434 1142 A N 1.234 124.032 122.820 -0.037 0.000 1.930 1142 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 1142 A C 2.010 179.566 177.584 -0.046 0.000 1.175 1142 A CA 0.763 52.779 52.037 -0.034 0.000 0.627 1142 A CB -0.678 18.306 19.000 -0.026 0.000 0.815 1142 A HN 0.379 nan 8.150 nan 0.000 0.443 1143 L N -0.417 120.771 121.223 -0.060 0.000 2.017 1143 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 1143 L C 2.429 179.238 176.870 -0.102 0.000 1.073 1143 L CA 2.595 57.390 54.840 -0.075 0.000 0.745 1143 L CB -0.571 41.433 42.059 -0.091 0.000 0.894 1143 L HN 0.627 nan 8.230 nan 0.000 0.432 1144 E N -0.357 119.771 120.200 -0.120 0.000 2.106 1144 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 1144 E C 1.929 178.449 176.600 -0.133 0.000 0.984 1144 E CA 1.002 57.290 56.400 -0.187 0.000 0.806 1144 E CB 0.004 29.613 29.700 -0.152 0.000 0.750 1144 E HN 0.594 nan 8.360 nan 0.000 0.458 1145 A N 0.192 122.969 122.820 -0.071 0.000 2.209 1145 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 1145 A C 1.951 179.514 177.584 -0.034 0.000 1.158 1145 A CA 1.189 53.203 52.037 -0.038 0.000 0.742 1145 A CB -0.170 18.815 19.000 -0.024 0.000 0.790 1145 A HN 0.330 nan 8.150 nan 0.000 0.472 1146 A N -1.461 121.329 122.820 -0.050 0.000 2.197 1146 A HA 0.410 4.730 4.320 -0.000 0.000 0.210 1146 A C 0.881 178.442 177.584 -0.038 0.000 1.180 1146 A CA -0.157 51.859 52.037 -0.036 0.000 0.846 1146 A CB -0.125 18.856 19.000 -0.032 0.000 0.884 1146 A HN 0.343 nan 8.150 nan 0.000 0.487 1147 M N 2.204 121.762 119.600 -0.071 0.000 2.269 1147 M HA 0.159 4.639 4.480 -0.000 0.000 0.350 1147 M C 0.477 176.788 176.300 0.019 0.000 1.429 1147 M CA 0.668 55.935 55.300 -0.054 0.000 1.063 1147 M CB -0.387 32.100 32.600 -0.189 0.000 1.841 1147 M HN 0.497 nan 8.290 nan 0.000 0.455 1148 T N 1.084 115.657 114.554 0.031 0.000 2.916 1148 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 1148 T C -2.263 172.465 174.700 0.048 0.000 1.064 1148 T CA -1.646 60.477 62.100 0.038 0.000 1.011 1148 T CB 1.930 70.807 68.868 0.015 0.000 1.152 1148 T HN 0.317 nan 8.240 nan 0.000 0.510 1149 P HA 0.125 nan 4.420 nan 0.000 0.222 1149 P C 1.208 178.524 177.300 0.026 0.000 1.147 1149 P CA 0.736 63.858 63.100 0.035 0.000 0.790 1149 P CB -0.200 31.514 31.700 0.023 0.000 0.780 1150 A N -1.343 121.487 122.820 0.018 0.000 2.208 1150 A HA 0.053 4.373 4.320 -0.000 0.000 0.209 1150 A C 0.949 178.538 177.584 0.008 0.000 1.161 1150 A CA 0.530 52.573 52.037 0.010 0.000 0.782 1150 A CB -1.161 17.839 19.000 0.000 0.000 0.816 1150 A HN 0.104 nan 8.150 nan 0.000 0.477 1151 T N 0.176 114.740 114.554 0.016 0.000 2.769 1151 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 1151 T C 0.987 175.702 174.700 0.025 0.000 0.931 1151 T CA 0.230 62.339 62.100 0.015 0.000 1.139 1151 T CB 0.997 69.878 68.868 0.021 0.000 0.881 1151 T HN 0.447 nan 8.240 nan 0.000 0.532 1152 R N 2.266 122.777 120.500 0.018 0.000 2.316 1152 R HA 0.353 4.693 4.340 -0.000 0.000 0.201 1152 R C -0.320 175.999 176.300 0.033 0.000 0.888 1152 R CA 0.225 56.340 56.100 0.025 0.000 1.041 1152 R CB 0.793 31.104 30.300 0.018 0.000 1.115 1152 R HN 0.471 nan 8.270 nan 0.000 0.559 1153 V N 1.381 121.314 119.914 0.032 0.000 2.888 1153 V HA 0.409 4.529 4.120 -0.000 0.000 0.309 1153 V C -0.924 175.217 176.094 0.080 0.000 1.114 1153 V CA -0.858 61.474 62.300 0.053 0.000 0.940 1153 V CB 2.602 34.450 31.823 0.042 0.000 1.021 1153 V HN 0.013 nan 8.190 nan 0.000 0.426 1154 I N 3.734 124.377 120.570 0.122 0.000 2.410 1154 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 1154 I C -1.528 174.733 176.117 0.239 0.000 1.009 1154 I CA -0.529 60.881 61.300 0.183 0.000 1.111 1154 I CB 1.662 39.782 38.000 0.200 0.000 1.262 1154 I HN 0.710 nan 8.210 nan 0.000 0.443 1155 Y N 9.119 129.495 120.300 0.127 0.000 2.331 1155 Y HA 0.640 5.190 4.550 -0.000 0.000 0.334 1155 Y C -1.194 174.826 175.900 0.199 0.000 0.960 1155 Y CA -1.046 57.091 58.100 0.061 0.000 1.130 1155 Y CB 1.293 39.769 38.460 0.027 0.000 1.164 1155 Y HN 0.436 nan 8.280 nan 0.000 0.458 1156 F N 1.852 121.499 119.950 -0.505 0.000 2.668 1156 F HA 0.687 5.214 4.527 -0.000 0.000 0.309 1156 F C -1.464 174.079 175.800 -0.428 0.000 1.117 1156 F CA -1.304 56.486 58.000 -0.350 0.000 0.951 1156 F CB 1.345 40.268 39.000 -0.128 0.000 1.323 1156 F HN 0.330 nan 8.300 nan 0.000 0.451 1157 E N 0.717 120.883 120.200 -0.056 0.000 2.204 1157 E HA 0.577 4.927 4.350 -0.000 0.000 0.276 1157 E C -1.231 175.398 176.600 0.048 0.000 0.974 1157 E CA -1.108 55.220 56.400 -0.121 0.000 0.815 1157 E CB 1.944 31.573 29.700 -0.118 0.000 1.119 1157 E HN 0.628 nan 8.360 nan 0.000 0.393 1158 S N 2.933 118.629 115.700 -0.007 0.000 2.653 1158 S HA 0.354 4.824 4.470 -0.000 0.000 0.268 1158 S C -2.786 171.819 174.600 0.009 0.000 1.153 1158 S CA -1.436 56.794 58.200 0.051 0.000 1.036 1158 S CB 0.716 64.021 63.200 0.175 0.000 1.103 1158 S HN 0.170 nan 8.310 nan 0.000 0.466 1159 P HA 0.496 nan 4.420 nan 0.000 0.273 1159 P C -1.243 176.010 177.300 -0.077 0.000 1.250 1159 P CA -0.419 62.694 63.100 0.022 0.000 0.793 1159 P CB 0.532 32.291 31.700 0.097 0.000 1.011 1160 A N 0.879 123.692 122.820 -0.012 0.000 2.356 1160 A HA 0.400 4.720 4.320 -0.000 0.000 0.310 1160 A C -0.186 177.400 177.584 0.004 0.000 1.075 1160 A CA -0.733 51.273 52.037 -0.052 0.000 0.746 1160 A CB 0.338 19.358 19.000 0.034 0.000 1.221 1160 A HN 0.572 nan 8.150 nan 0.000 0.443 1161 N N 2.057 120.743 118.700 -0.023 0.000 2.307 1161 N HA 0.174 4.914 4.740 -0.000 0.000 0.230 1161 N C -1.640 173.867 175.510 -0.005 0.000 1.297 1161 N CA -0.905 52.175 53.050 0.050 0.000 0.884 1161 N CB 0.773 39.316 38.487 0.092 0.000 1.115 1161 N HN 0.491 nan 8.380 nan 0.000 0.436 1162 P HA 0.150 nan 4.420 nan 0.000 0.267 1162 P C -0.579 176.696 177.300 -0.042 0.000 1.289 1162 P CA 0.593 63.694 63.100 0.001 0.000 0.866 1162 P CB 0.440 32.118 31.700 -0.035 0.000 1.309 1163 N N 0.526 119.153 118.700 -0.122 0.000 2.234 1163 N HA 0.173 4.913 4.740 -0.000 0.000 0.227 1163 N C 0.374 175.963 175.510 0.131 0.000 1.151 1163 N CA -0.189 52.699 53.050 -0.271 0.000 0.865 1163 N CB -0.169 38.006 38.487 -0.520 0.000 1.066 1163 N HN -0.183 nan 8.380 nan 0.000 0.515 1164 M N -0.490 119.230 119.600 0.199 0.000 2.682 1164 M HA -0.236 4.244 4.480 -0.000 0.000 0.196 1164 M C 0.118 176.615 176.300 0.329 0.000 0.542 1164 M CA 0.725 56.187 55.300 0.271 0.000 0.593 1164 M CB -3.023 29.756 32.600 0.297 0.000 2.183 1164 M HN 0.397 nan 8.290 nan 0.000 0.663 1165 H N 1.293 120.445 119.070 0.135 0.000 3.034 1165 H HA 0.191 4.747 4.556 -0.000 0.000 0.324 1165 H C 0.567 175.950 175.328 0.092 0.000 1.015 1165 H CA 0.600 56.705 56.048 0.095 0.000 1.429 1165 H CB 0.559 30.317 29.762 -0.005 0.000 1.429 1165 H HN 0.345 nan 8.280 nan 0.000 0.585 1166 M N 2.747 122.138 119.600 -0.350 0.000 2.310 1166 M HA 0.580 5.060 4.480 -0.000 0.000 0.241 1166 M C 0.055 176.112 176.300 -0.405 0.000 1.162 1166 M CA -0.861 54.291 55.300 -0.247 0.000 0.958 1166 M CB 0.744 33.283 32.600 -0.103 0.000 1.348 1166 M HN 0.618 nan 8.290 nan 0.000 0.541 1167 A N 0.036 122.719 122.820 -0.229 0.000 2.604 1167 A HA 0.427 4.747 4.320 -0.000 0.000 0.295 1167 A C -1.561 175.918 177.584 -0.175 0.000 1.067 1167 A CA -0.650 51.218 52.037 -0.282 0.000 0.683 1167 A CB 1.271 19.978 19.000 -0.489 0.000 1.281 1167 A HN 0.728 nan 8.150 nan 0.000 0.407 1168 D N 1.926 122.218 120.400 -0.180 0.000 2.435 1168 D HA 0.307 4.947 4.640 -0.000 0.000 0.230 1168 D C 1.071 177.343 176.300 -0.047 0.000 1.215 1168 D CA -0.069 53.876 54.000 -0.091 0.000 0.947 1168 D CB 0.192 40.944 40.800 -0.080 0.000 1.048 1168 D HN 0.422 nan 8.370 nan 0.000 0.512 1169 I N 2.362 122.961 120.570 0.047 0.000 2.226 1169 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 1169 I C 2.399 178.574 176.117 0.098 0.000 1.100 1169 I CA 1.063 62.462 61.300 0.166 0.000 1.374 1169 I CB -0.027 38.075 38.000 0.169 0.000 1.057 1169 I HN 0.373 nan 8.210 nan 0.000 0.413 1170 A N 0.791 123.639 122.820 0.046 0.000 1.933 1170 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 1170 A C 2.402 180.001 177.584 0.024 0.000 1.175 1170 A CA 1.794 53.850 52.037 0.032 0.000 0.628 1170 A CB -1.336 17.674 19.000 0.015 0.000 0.814 1170 A HN 0.466 nan 8.150 nan 0.000 0.444 1171 G N -0.155 108.649 108.800 0.006 0.000 2.464 1171 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 1171 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 1171 G C 1.692 176.588 174.900 -0.007 0.000 1.218 1171 G CA 1.935 47.029 45.100 -0.010 0.000 0.794 1171 G HN 1.039 nan 8.290 nan 0.000 0.542 1172 V N 0.088 119.990 119.914 -0.020 0.000 2.469 1172 V HA 0.011 4.131 4.120 -0.000 0.000 0.251 1172 V C 2.859 178.985 176.094 0.053 0.000 1.064 1172 V CA 2.286 64.582 62.300 -0.007 0.000 1.066 1172 V CB -0.893 30.909 31.823 -0.034 0.000 0.667 1172 V HN 0.443 nan 8.190 nan 0.000 0.461 1173 A N 0.164 123.030 122.820 0.077 0.000 1.933 1173 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 1173 A C 2.152 179.770 177.584 0.057 0.000 1.175 1173 A CA 2.025 54.108 52.037 0.077 0.000 0.628 1173 A CB -0.597 18.447 19.000 0.072 0.000 0.814 1173 A HN 0.529 nan 8.150 nan 0.000 0.444 1174 K N 0.007 120.434 120.400 0.045 0.000 2.103 1174 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 1174 K C 1.582 178.220 176.600 0.062 0.000 1.052 1174 K CA 0.955 57.269 56.287 0.045 0.000 0.945 1174 K CB -0.565 31.955 32.500 0.033 0.000 0.722 1174 K HN 0.576 nan 8.250 nan 0.000 0.443 1175 I N 0.305 120.903 120.570 0.046 0.000 2.394 1175 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 1175 I C 2.037 178.210 176.117 0.094 0.000 1.136 1175 I CA 1.008 62.334 61.300 0.045 0.000 1.425 1175 I CB -0.188 37.780 38.000 -0.054 0.000 1.079 1175 I HN 0.070 nan 8.210 nan 0.000 0.425 1176 A N 1.033 123.897 122.820 0.074 0.000 1.854 1176 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 1176 A C 2.232 179.878 177.584 0.104 0.000 1.192 1176 A CA 0.946 53.036 52.037 0.090 0.000 0.611 1176 A CB -0.370 18.676 19.000 0.077 0.000 0.832 1176 A HN 0.234 nan 8.150 nan 0.000 0.442 1177 R N 0.509 121.058 120.500 0.082 0.000 2.249 1177 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 1177 R C 1.543 177.884 176.300 0.068 0.000 1.121 1177 R CA 1.373 57.511 56.100 0.064 0.000 0.997 1177 R CB -0.530 29.799 30.300 0.049 0.000 0.867 1177 R HN 0.597 nan 8.270 nan 0.000 0.465 1178 K N -0.276 120.192 120.400 0.113 0.000 2.099 1178 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 1178 K C 1.034 177.648 176.600 0.024 0.000 1.047 1178 K CA 0.615 56.954 56.287 0.087 0.000 0.963 1178 K CB 0.196 32.800 32.500 0.174 0.000 0.759 1178 K HN 0.406 nan 8.250 nan 0.000 0.451 1179 H N 0.086 119.164 119.070 0.014 0.000 2.550 1179 H HA 0.185 4.741 4.556 -0.000 0.000 0.304 1179 H C 0.836 176.174 175.328 0.016 0.000 1.086 1179 H CA -0.007 56.049 56.048 0.013 0.000 1.089 1179 H CB 0.661 30.430 29.762 0.012 0.000 1.528 1179 H HN 0.440 nan 8.280 nan 0.000 0.539 1180 G N 1.840 110.704 108.800 0.106 0.000 2.559 1180 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.282 1180 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.282 1180 G C 0.172 175.118 174.900 0.076 0.000 1.177 1180 G CA 0.255 45.399 45.100 0.072 0.000 0.960 1180 G HN 1.028 nan 8.290 nan 0.000 0.540 1181 A N -1.768 121.093 122.820 0.068 0.000 2.327 1181 A HA 0.276 4.596 4.320 -0.000 0.000 0.378 1181 A C 0.524 178.144 177.584 0.060 0.000 1.905 1181 A CA 2.072 54.147 52.037 0.062 0.000 1.962 1181 A CB -1.090 17.949 19.000 0.065 0.000 1.320 1181 A HN 2.211 nan 8.150 nan 0.000 0.456 1182 T N 3.013 117.600 114.554 0.056 0.000 2.837 1182 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 1182 T C 0.161 174.899 174.700 0.062 0.000 0.984 1182 T CA -0.193 61.939 62.100 0.053 0.000 1.049 1182 T CB 1.232 70.127 68.868 0.046 0.000 0.947 1182 T HN 1.028 nan 8.240 nan 0.000 0.472 1183 V N 4.407 124.353 119.914 0.053 0.000 2.383 1183 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 1183 V C -0.061 176.018 176.094 -0.025 0.000 1.036 1183 V CA -0.630 61.695 62.300 0.042 0.000 0.889 1183 V CB 1.242 33.102 31.823 0.062 0.000 0.985 1183 V HN 0.659 nan 8.190 nan 0.000 0.459 1184 V N 6.155 126.036 119.914 -0.054 0.000 2.350 1184 V HA 0.412 4.532 4.120 -0.000 0.000 0.285 1184 V C -0.153 175.706 176.094 -0.393 0.000 1.014 1184 V CA -0.521 61.734 62.300 -0.075 0.000 0.831 1184 V CB 1.793 33.725 31.823 0.181 0.000 1.000 1184 V HN 0.616 nan 8.190 nan 0.000 0.433 1185 V N 3.662 123.297 119.914 -0.465 0.000 2.398 1185 V HA 0.353 4.473 4.120 -0.000 0.000 0.286 1185 V C -0.016 175.781 176.094 -0.496 0.000 1.026 1185 V CA -0.598 61.270 62.300 -0.720 0.000 0.868 1185 V CB 1.896 33.349 31.823 -0.616 0.000 0.982 1185 V HN 0.876 nan 8.190 nan 0.000 0.443 1186 D N 4.327 124.397 120.400 -0.550 0.000 2.374 1186 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 1186 D C 0.538 176.672 176.300 -0.278 0.000 1.229 1186 D CA 0.321 54.118 54.000 -0.338 0.000 0.895 1186 D CB 0.271 40.907 40.800 -0.273 0.000 1.046 1186 D HN 0.644 nan 8.370 nan 0.000 0.498 1187 N N 2.872 121.375 118.700 -0.329 0.000 2.378 1187 N HA -0.003 4.737 4.740 -0.000 0.000 0.243 1187 N C 0.667 176.209 175.510 0.054 0.000 1.137 1187 N CA -0.202 52.737 53.050 -0.185 0.000 0.862 1187 N CB 0.429 38.793 38.487 -0.206 0.000 1.116 1187 N HN 0.282 nan 8.380 nan 0.000 0.499 1188 T N 0.126 114.743 114.554 0.105 0.000 2.652 1188 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 1188 T C 1.244 176.219 174.700 0.460 0.000 1.039 1188 T CA 1.253 63.552 62.100 0.332 0.000 1.153 1188 T CB -0.279 68.727 68.868 0.230 0.000 0.863 1188 T HN 0.335 nan 8.240 nan 0.000 0.428 1189 Y N 0.877 121.276 120.300 0.164 0.000 2.114 1189 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 1189 Y C 2.858 178.796 175.900 0.064 0.000 1.165 1189 Y CA 0.075 58.294 58.100 0.199 0.000 1.148 1189 Y CB -0.952 37.580 38.460 0.120 0.000 0.972 1189 Y HN 0.325 nan 8.280 nan 0.000 0.504 1190 C N -1.407 118.006 119.300 0.188 0.000 2.551 1190 C HA 0.217 4.677 4.460 -0.000 0.000 0.277 1190 C C 0.962 175.969 174.990 0.028 0.000 1.349 1190 C CA 0.517 59.548 59.018 0.022 0.000 1.750 1190 C CB -1.350 26.402 27.740 0.019 0.000 2.058 1190 C HN 0.748 nan 8.230 nan 0.000 0.518 1191 T N -1.095 113.561 114.554 0.170 0.000 0.541 1191 T HA -0.140 4.210 4.350 -0.000 0.000 0.774 1191 T C -1.951 172.868 174.700 0.198 0.000 0.992 1191 T CA 0.221 62.434 62.100 0.188 0.000 4.077 1191 T CB -1.458 67.469 68.868 0.098 0.000 2.303 1191 T HN 0.176 nan 8.240 nan 0.000 0.398 1192 P HA -0.030 nan 4.420 nan 0.000 0.231 1192 P C 1.126 178.609 177.300 0.305 0.000 1.158 1192 P CA 1.284 64.552 63.100 0.281 0.000 0.763 1192 P CB -0.254 31.622 31.700 0.293 0.000 0.805 1193 Y N 0.527 120.843 120.300 0.027 0.000 2.365 1193 Y HA 0.075 4.625 4.550 -0.000 0.000 0.293 1193 Y C 2.056 177.762 175.900 -0.323 0.000 1.119 1193 Y CA 1.035 58.847 58.100 -0.480 0.000 1.203 1193 Y CB -0.454 37.679 38.460 -0.546 0.000 1.026 1193 Y HN -0.228 nan 8.280 nan 0.000 0.549 1194 L N -0.376 120.706 121.223 -0.236 0.000 2.470 1194 L HA 0.171 4.511 4.340 -0.000 0.000 0.219 1194 L C 0.195 176.958 176.870 -0.177 0.000 1.071 1194 L CA 0.343 55.010 54.840 -0.289 0.000 0.850 1194 L CB 0.309 42.256 42.059 -0.187 0.000 1.040 1194 L HN 0.082 nan 8.230 nan 0.000 0.475 1195 Q N 0.305 120.060 119.800 -0.076 0.000 2.320 1195 Q HA 0.355 4.695 4.340 -0.000 0.000 0.272 1195 Q C -1.197 174.817 176.000 0.022 0.000 1.023 1195 Q CA -0.594 55.187 55.803 -0.036 0.000 0.855 1195 Q CB 2.043 30.767 28.738 -0.024 0.000 1.367 1195 Q HN 0.079 nan 8.270 nan 0.000 0.406 1196 R N 4.419 124.929 120.500 0.017 0.000 2.494 1196 R HA 0.247 4.587 4.340 -0.000 0.000 0.284 1196 R C -2.186 174.127 176.300 0.021 0.000 1.525 1196 R CA -1.677 54.449 56.100 0.044 0.000 1.460 1196 R CB 1.281 31.615 30.300 0.057 0.000 1.134 1196 R HN 0.470 nan 8.270 nan 0.000 0.592 1197 P HA -0.225 nan 4.420 nan 0.000 0.217 1197 P C 1.273 178.573 177.300 -0.001 0.000 1.151 1197 P CA 1.175 64.268 63.100 -0.012 0.000 0.849 1197 P CB 0.282 31.940 31.700 -0.070 0.000 0.787 1198 L N -0.278 120.948 121.223 0.005 0.000 2.042 1198 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 1198 L C 2.097 178.977 176.870 0.017 0.000 1.076 1198 L CA 1.780 56.627 54.840 0.012 0.000 0.749 1198 L CB -0.962 41.110 42.059 0.021 0.000 0.893 1198 L HN 0.139 nan 8.230 nan 0.000 0.432 1199 E N -0.240 119.972 120.200 0.020 0.000 2.478 1199 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 1199 E C 1.958 178.568 176.600 0.016 0.000 1.046 1199 E CA 0.487 56.898 56.400 0.018 0.000 0.870 1199 E CB 0.127 29.839 29.700 0.019 0.000 0.818 1199 E HN 0.552 nan 8.360 nan 0.000 0.527 1200 L N -0.880 120.354 121.223 0.017 0.000 2.554 1200 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 1200 L C 1.461 178.348 176.870 0.028 0.000 1.104 1200 L CA 0.465 55.318 54.840 0.020 0.000 0.866 1200 L CB 0.567 42.641 42.059 0.024 0.000 1.047 1200 L HN 0.289 nan 8.230 nan 0.000 0.468 1201 G N -0.533 108.283 108.800 0.027 0.000 2.367 1201 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.181 1201 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.181 1201 G C 0.435 175.355 174.900 0.033 0.000 1.000 1201 G CA -0.184 44.936 45.100 0.032 0.000 0.693 1201 G HN 0.330 nan 8.290 nan 0.000 0.480 1202 A N 0.451 123.285 122.820 0.024 0.000 2.492 1202 A HA 0.501 4.821 4.320 -0.000 0.000 0.236 1202 A C 1.116 178.702 177.584 0.004 0.000 1.078 1202 A CA 1.151 53.190 52.037 0.004 0.000 0.773 1202 A CB 0.259 19.233 19.000 -0.044 0.000 1.023 1202 A HN 0.204 nan 8.150 nan 0.000 0.504 1203 D N -0.375 120.025 120.400 0.000 0.000 2.323 1203 D HA 0.226 4.866 4.640 -0.000 0.000 0.218 1203 D C 0.045 176.348 176.300 0.005 0.000 0.973 1203 D CA 1.023 55.029 54.000 0.011 0.000 0.890 1203 D CB 0.171 40.984 40.800 0.022 0.000 1.011 1203 D HN 0.433 nan 8.370 nan 0.000 0.499 1204 L N 0.278 121.493 121.223 -0.012 0.000 2.424 1204 L HA 0.418 4.758 4.340 -0.000 0.000 0.258 1204 L C -1.029 175.806 176.870 -0.058 0.000 0.995 1204 L CA -1.098 53.735 54.840 -0.012 0.000 0.821 1204 L CB 2.922 44.988 42.059 0.012 0.000 1.383 1204 L HN -0.279 nan 8.230 nan 0.000 0.410 1205 V N -0.305 119.574 119.914 -0.059 0.000 2.638 1205 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 1205 V C -0.283 175.727 176.094 -0.141 0.000 1.052 1205 V CA -0.853 61.358 62.300 -0.149 0.000 0.885 1205 V CB 1.524 33.253 31.823 -0.157 0.000 0.999 1205 V HN 0.504 nan 8.190 nan 0.000 0.424 1206 V N 1.204 121.009 119.914 -0.182 0.000 2.732 1206 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 1206 V C -0.510 175.446 176.094 -0.230 0.000 1.053 1206 V CA -0.258 61.992 62.300 -0.084 0.000 0.957 1206 V CB 1.690 33.545 31.823 0.054 0.000 1.018 1206 V HN 1.020 nan 8.190 nan 0.000 0.452 1207 H N 1.555 120.652 119.070 0.045 0.000 2.806 1207 H HA 0.493 5.049 4.556 -0.000 0.000 0.367 1207 H C -0.811 174.538 175.328 0.034 0.000 1.136 1207 H CA -0.402 55.672 56.048 0.044 0.000 1.178 1207 H CB 2.283 32.076 29.762 0.051 0.000 1.718 1207 H HN 0.790 nan 8.280 nan 0.000 0.540 1208 S N 1.903 117.709 115.700 0.177 0.000 2.921 1208 S HA 0.321 4.791 4.470 -0.000 0.000 0.244 1208 S C 1.188 175.840 174.600 0.086 0.000 1.291 1208 S CA -0.081 58.167 58.200 0.081 0.000 1.010 1208 S CB -0.392 62.806 63.200 -0.003 0.000 1.255 1208 S HN 0.718 nan 8.310 nan 0.000 0.492 1209 A N 3.630 126.499 122.820 0.081 0.000 2.186 1209 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 1209 A C 1.433 179.032 177.584 0.025 0.000 1.159 1209 A CA 1.131 53.194 52.037 0.043 0.000 0.680 1209 A CB -0.972 18.044 19.000 0.026 0.000 0.787 1209 A HN 0.674 nan 8.150 nan 0.000 0.467 1213 L N 0.058 121.362 121.223 0.135 0.000 1.971 1213 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 1213 L C 2.517 179.426 176.870 0.064 0.000 1.072 1213 L CA 2.229 57.105 54.840 0.061 0.000 0.758 1213 L CB -0.721 41.332 42.059 -0.010 0.000 0.889 1213 L HN 0.358 nan 8.230 nan 0.000 0.433 1214 S N -0.838 114.894 115.700 0.053 0.000 2.363 1214 S HA -0.164 4.306 4.470 -0.000 0.000 0.218 1214 S C 1.700 176.400 174.600 0.167 0.000 1.035 1214 S CA 2.374 60.619 58.200 0.076 0.000 1.043 1214 S CB -0.421 62.809 63.200 0.049 0.000 0.986 1214 S HN 0.710 nan 8.310 nan 0.000 0.423 1215 G N -0.363 108.489 108.800 0.087 0.000 2.284 1215 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.230 1215 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.230 1215 G C 0.448 175.198 174.900 -0.249 0.000 1.021 1215 G CA 0.619 45.703 45.100 -0.027 0.000 0.619 1215 G HN 0.716 nan 8.290 nan 0.000 0.510 1216 H N 0.037 119.104 119.070 -0.006 0.000 2.662 1216 H HA 0.488 5.044 4.556 -0.000 0.000 0.268 1216 H C 1.673 176.989 175.328 -0.021 0.000 1.152 1216 H CA 0.131 56.172 56.048 -0.013 0.000 1.072 1216 H CB 0.417 30.170 29.762 -0.016 0.000 1.660 1216 H HN 1.226 nan 8.280 nan 0.000 0.584 1217 G N 2.169 111.002 108.800 0.054 0.000 2.390 1217 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.299 1217 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.299 1217 G C 0.244 175.166 174.900 0.037 0.000 1.002 1217 G CA 1.037 46.152 45.100 0.025 0.000 0.979 1217 G HN 0.648 nan 8.290 nan 0.000 0.513 1218 D N -1.616 118.812 120.400 0.046 0.000 2.503 1218 D HA 0.293 4.933 4.640 -0.000 0.000 0.218 1218 D C 0.631 176.951 176.300 0.033 0.000 1.183 1218 D CA -0.291 53.731 54.000 0.037 0.000 0.827 1218 D CB 0.643 41.462 40.800 0.031 0.000 1.034 1218 D HN 0.291 nan 8.370 nan 0.000 0.510 1219 I N 0.145 120.731 120.570 0.028 0.000 2.865 1219 I HA 0.393 4.563 4.170 -0.000 0.000 0.302 1219 I C -0.721 175.411 176.117 0.025 0.000 1.140 1219 I CA -0.515 60.800 61.300 0.025 0.000 1.021 1219 I CB 2.164 40.168 38.000 0.007 0.000 1.233 1219 I HN -0.261 nan 8.210 nan 0.000 0.427 1220 T N 3.612 118.183 114.554 0.029 0.000 2.906 1220 T HA 0.836 5.186 4.350 -0.000 0.000 0.302 1220 T C -0.434 174.284 174.700 0.030 0.000 1.002 1220 T CA -0.504 61.614 62.100 0.030 0.000 0.988 1220 T CB 1.648 70.537 68.868 0.035 0.000 0.972 1220 T HN 0.813 nan 8.240 nan 0.000 0.447 1221 A N 2.334 125.171 122.820 0.029 0.000 2.602 1221 A HA 1.025 5.345 4.320 -0.000 0.000 0.290 1221 A C -0.461 177.147 177.584 0.041 0.000 1.114 1221 A CA -0.744 51.312 52.037 0.031 0.000 0.683 1221 A CB 1.587 20.601 19.000 0.022 0.000 1.281 1221 A HN 1.013 nan 8.150 nan 0.000 0.416 1222 G N -0.523 108.305 108.800 0.047 0.000 2.642 1222 G HA2 0.667 4.627 3.960 -0.000 0.000 0.293 1222 G HA3 0.667 4.627 3.960 -0.000 0.000 0.293 1222 G C -1.415 173.533 174.900 0.080 0.000 1.341 1222 G CA -0.492 44.648 45.100 0.067 0.000 0.916 1222 G HN 0.627 nan 8.290 nan 0.000 0.474 1223 I N 0.217 120.862 120.570 0.124 0.000 2.722 1223 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 1223 I C -0.934 175.272 176.117 0.149 0.000 1.161 1223 I CA -0.792 60.590 61.300 0.136 0.000 1.032 1223 I CB 1.957 40.049 38.000 0.154 0.000 1.244 1223 I HN 0.222 nan 8.210 nan 0.000 0.421 1224 V N 5.784 125.765 119.914 0.111 0.000 2.638 1224 V HA 0.659 4.779 4.120 -0.000 0.000 0.306 1224 V C -0.446 175.700 176.094 0.086 0.000 1.052 1224 V CA -0.605 61.746 62.300 0.086 0.000 0.885 1224 V CB 2.822 34.683 31.823 0.063 0.000 0.999 1224 V HN 0.481 nan 8.190 nan 0.000 0.424 1225 V N 2.951 122.912 119.914 0.078 0.000 2.925 1225 V HA 1.061 5.181 4.120 -0.000 0.000 0.311 1225 V C 0.393 176.513 176.094 0.044 0.000 1.104 1225 V CA 0.348 62.689 62.300 0.069 0.000 0.954 1225 V CB 1.604 33.483 31.823 0.093 0.000 1.022 1225 V HN 1.184 nan 8.190 nan 0.000 0.427 1226 G N 1.866 110.689 108.800 0.038 0.000 2.441 1226 G HA2 0.434 4.394 3.960 -0.000 0.000 0.225 1226 G HA3 0.434 4.394 3.960 -0.000 0.000 0.225 1226 G C -0.498 174.419 174.900 0.029 0.000 1.200 1226 G CA 0.097 45.215 45.100 0.029 0.000 0.947 1226 G HN 1.153 nan 8.290 nan 0.000 0.484 1227 S N -0.171 115.545 115.700 0.027 0.000 2.580 1227 S HA 0.356 4.826 4.470 -0.000 0.000 0.274 1227 S C 1.220 175.836 174.600 0.027 0.000 1.329 1227 S CA 0.686 58.901 58.200 0.025 0.000 1.036 1227 S CB 1.878 65.093 63.200 0.024 0.000 0.919 1227 S HN 0.816 nan 8.310 nan 0.000 0.515 1228 Q N 2.592 122.406 119.800 0.025 0.000 2.045 1228 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 1228 Q C 2.241 178.255 176.000 0.024 0.000 0.991 1228 Q CA 2.563 58.380 55.803 0.023 0.000 0.851 1228 Q CB -1.193 27.557 28.738 0.020 0.000 0.911 1228 Q HN 0.987 nan 8.270 nan 0.000 0.418 1229 A N 0.193 123.027 122.820 0.023 0.000 1.852 1229 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 1229 A C 2.182 179.782 177.584 0.027 0.000 1.215 1229 A CA 1.996 54.047 52.037 0.023 0.000 0.641 1229 A CB -1.275 17.738 19.000 0.022 0.000 0.838 1229 A HN 0.475 nan 8.150 nan 0.000 0.450 1230 L N -0.692 120.549 121.223 0.029 0.000 2.042 1230 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 1230 L C 2.585 179.477 176.870 0.037 0.000 1.076 1230 L CA 1.393 56.253 54.840 0.034 0.000 0.749 1230 L CB -0.511 41.568 42.059 0.034 0.000 0.893 1230 L HN 0.302 nan 8.230 nan 0.000 0.432 1231 V N -0.533 119.402 119.914 0.035 0.000 2.358 1231 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 1231 V C 2.037 178.153 176.094 0.036 0.000 1.047 1231 V CA 1.800 64.122 62.300 0.037 0.000 1.035 1231 V CB -0.509 31.335 31.823 0.035 0.000 0.658 1231 V HN 0.425 nan 8.190 nan 0.000 0.452 1232 D N -0.361 120.058 120.400 0.032 0.000 2.178 1232 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 1232 D C 2.409 178.731 176.300 0.037 0.000 0.980 1232 D CA 0.951 54.970 54.000 0.031 0.000 0.842 1232 D CB -0.212 40.603 40.800 0.026 0.000 0.948 1232 D HN 0.302 nan 8.370 nan 0.000 0.472 1233 R N -0.059 120.464 120.500 0.038 0.000 2.075 1233 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 1233 R C 2.393 178.723 176.300 0.050 0.000 1.126 1233 R CA 0.591 56.716 56.100 0.042 0.000 0.963 1233 R CB -0.223 30.102 30.300 0.041 0.000 0.858 1233 R HN 0.246 nan 8.270 nan 0.000 0.435 1234 I N 0.065 120.666 120.570 0.052 0.000 2.439 1234 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 1234 I C 2.723 178.874 176.117 0.058 0.000 1.139 1234 I CA 0.865 62.201 61.300 0.060 0.000 1.438 1234 I CB -0.223 37.813 38.000 0.060 0.000 1.085 1234 I HN 0.126 nan 8.210 nan 0.000 0.427 1235 R N 1.057 121.587 120.500 0.051 0.000 2.075 1235 R HA -0.153 4.187 4.340 -0.000 0.000 0.230 1235 R C 2.012 178.347 176.300 0.058 0.000 1.140 1235 R CA 1.541 57.671 56.100 0.049 0.000 0.928 1235 R CB -0.167 30.157 30.300 0.040 0.000 0.834 1235 R HN 0.158 nan 8.270 nan 0.000 0.429 1236 L N 0.997 122.256 121.223 0.060 0.000 2.549 1236 L HA -0.009 4.331 4.340 -0.000 0.000 0.229 1236 L C 1.595 178.500 176.870 0.059 0.000 1.158 1236 L CA 1.379 56.261 54.840 0.070 0.000 0.842 1236 L CB -0.671 41.428 42.059 0.068 0.000 0.952 1236 L HN 0.368 nan 8.230 nan 0.000 0.452 1237 Q N -1.958 117.874 119.800 0.053 0.000 2.546 1237 Q HA 0.188 4.528 4.340 -0.000 0.000 0.203 1237 Q C 2.049 178.074 176.000 0.040 0.000 0.740 1237 Q CA 0.579 56.407 55.803 0.042 0.000 0.879 1237 Q CB -0.290 28.474 28.738 0.044 0.000 1.265 1237 Q HN 0.310 nan 8.270 nan 0.000 0.585 1238 G N 1.591 110.429 108.800 0.063 0.000 2.414 1238 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 1238 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 1238 G C 1.306 176.243 174.900 0.062 0.000 1.188 1238 G CA 0.450 45.599 45.100 0.082 0.000 0.783 1238 G HN 0.155 nan 8.290 nan 0.000 0.537 1239 L N 0.219 121.479 121.223 0.061 0.000 1.950 1239 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 1239 L C 2.813 179.716 176.870 0.054 0.000 1.079 1239 L CA 2.292 57.165 54.840 0.055 0.000 0.754 1239 L CB -0.589 41.502 42.059 0.054 0.000 0.889 1239 L HN 0.267 nan 8.230 nan 0.000 0.433 1240 K N -0.564 119.875 120.400 0.065 0.000 2.052 1240 K HA -0.261 4.059 4.320 -0.000 0.000 0.215 1240 K C 1.538 178.172 176.600 0.056 0.000 1.053 1240 K CA 2.497 58.833 56.287 0.081 0.000 0.934 1240 K CB 0.002 32.561 32.500 0.097 0.000 0.717 1240 K HN 0.479 nan 8.250 nan 0.000 0.450 1241 D N -0.907 119.508 120.400 0.025 0.000 2.566 1241 D HA 0.027 4.667 4.640 -0.000 0.000 0.253 1241 D C 1.778 178.040 176.300 -0.065 0.000 0.992 1241 D CA 1.005 54.998 54.000 -0.012 0.000 0.940 1241 D CB 0.057 40.843 40.800 -0.023 0.000 1.095 1241 D HN 0.264 nan 8.370 nan 0.000 0.480 1242 M N -0.410 119.132 119.600 -0.097 0.000 2.502 1242 M HA 0.124 4.604 4.480 -0.000 0.000 0.243 1242 M C 1.327 177.521 176.300 -0.175 0.000 1.130 1242 M CA 0.648 55.814 55.300 -0.223 0.000 1.055 1242 M CB 0.820 33.193 32.600 -0.378 0.000 1.457 1242 M HN -0.150 nan 8.290 nan 0.000 0.488 1243 T N -0.876 113.650 114.554 -0.045 0.000 3.176 1243 T HA 0.230 4.580 4.350 -0.000 0.000 0.259 1243 T C 1.240 175.951 174.700 0.017 0.000 0.978 1243 T CA 0.926 63.032 62.100 0.010 0.000 1.050 1243 T CB 0.359 69.266 68.868 0.067 0.000 1.136 1243 T HN 0.482 nan 8.240 nan 0.000 0.465 1244 G N 1.940 110.756 108.800 0.027 0.000 2.187 1244 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.261 1244 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.261 1244 G C 0.416 175.338 174.900 0.037 0.000 1.000 1244 G CA 0.411 45.534 45.100 0.039 0.000 0.718 1244 G HN 0.947 nan 8.290 nan 0.000 0.519 1245 A N 0.265 123.106 122.820 0.035 0.000 3.052 1245 A HA 0.578 4.898 4.320 -0.000 0.000 0.266 1245 A C 0.967 178.569 177.584 0.030 0.000 1.855 1245 A CA 0.314 52.370 52.037 0.032 0.000 1.473 1245 A CB -0.123 18.895 19.000 0.031 0.000 1.038 1245 A HN 1.002 nan 8.150 nan 0.000 0.619 1246 V N 1.511 121.441 119.914 0.027 0.000 2.715 1246 V HA 0.116 4.236 4.120 -0.000 0.000 0.299 1246 V C 0.412 176.516 176.094 0.017 0.000 1.054 1246 V CA -0.294 62.018 62.300 0.019 0.000 1.077 1246 V CB 1.051 32.878 31.823 0.007 0.000 0.972 1246 V HN 0.656 nan 8.190 nan 0.000 0.484 1247 L N 4.161 125.393 121.223 0.015 0.000 2.307 1247 L HA 0.473 4.813 4.340 -0.000 0.000 0.282 1247 L C 0.484 177.364 176.870 0.017 0.000 1.051 1247 L CA 0.541 55.392 54.840 0.018 0.000 0.804 1247 L CB 1.707 43.776 42.059 0.017 0.000 1.197 1247 L HN 0.751 nan 8.230 nan 0.000 0.431 1248 S N 5.350 121.067 115.700 0.029 0.000 2.531 1248 S HA 0.319 4.789 4.470 -0.000 0.000 0.279 1248 S C -1.687 172.943 174.600 0.049 0.000 1.305 1248 S CA -0.936 57.288 58.200 0.041 0.000 1.058 1248 S CB 0.769 64.009 63.200 0.066 0.000 0.899 1248 S HN 0.619 nan 8.310 nan 0.000 0.493 1249 P HA -0.119 nan 4.420 nan 0.000 0.221 1249 P C 1.000 178.327 177.300 0.045 0.000 1.145 1249 P CA 1.203 64.329 63.100 0.042 0.000 0.795 1249 P CB -0.039 31.696 31.700 0.058 0.000 0.775 1250 H N 0.521 119.576 119.070 -0.024 0.000 2.270 1250 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 1250 H C 1.351 176.659 175.328 -0.032 0.000 1.077 1250 H CA 2.310 58.338 56.048 -0.033 0.000 1.294 1250 H CB -0.699 29.044 29.762 -0.032 0.000 1.371 1250 H HN -0.033 nan 8.280 nan 0.000 0.491 1251 D N 0.169 120.552 120.400 -0.029 0.000 2.178 1251 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 1251 D C 2.135 178.381 176.300 -0.091 0.000 0.980 1251 D CA 1.361 55.310 54.000 -0.085 0.000 0.842 1251 D CB -0.574 40.242 40.800 0.027 0.000 0.948 1251 D HN 0.584 nan 8.370 nan 0.000 0.472 1252 A N 0.465 123.253 122.820 -0.053 0.000 2.015 1252 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 1252 A C 2.201 179.735 177.584 -0.084 0.000 1.163 1252 A CA 1.625 53.633 52.037 -0.050 0.000 0.646 1252 A CB -0.449 18.536 19.000 -0.025 0.000 0.806 1252 A HN 0.234 nan 8.150 nan 0.000 0.448 1253 A N -0.825 121.925 122.820 -0.116 0.000 1.930 1253 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 1253 A C 1.986 179.466 177.584 -0.173 0.000 1.176 1253 A CA 1.297 53.249 52.037 -0.142 0.000 0.632 1253 A CB -0.441 18.474 19.000 -0.143 0.000 0.819 1253 A HN 0.393 nan 8.150 nan 0.000 0.445 1254 L N -0.471 120.616 121.223 -0.227 0.000 1.994 1254 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 1254 L C 2.337 179.122 176.870 -0.141 0.000 1.071 1254 L CA 1.926 56.632 54.840 -0.223 0.000 0.745 1254 L CB -0.938 40.953 42.059 -0.279 0.000 0.892 1254 L HN 0.428 nan 8.230 nan 0.000 0.431 1255 L N -1.156 120.005 121.223 -0.104 0.000 2.127 1255 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 1255 L C 2.309 179.144 176.870 -0.059 0.000 1.089 1255 L CA 1.790 56.596 54.840 -0.058 0.000 0.757 1255 L CB -0.503 41.532 42.059 -0.039 0.000 0.899 1255 L HN 0.296 nan 8.230 nan 0.000 0.434 1256 M N -1.483 118.068 119.600 -0.082 0.000 2.394 1256 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 1256 M C 2.310 178.555 176.300 -0.092 0.000 1.073 1256 M CA 0.956 56.205 55.300 -0.085 0.000 1.111 1256 M CB -0.106 32.430 32.600 -0.106 0.000 1.401 1256 M HN 0.276 nan 8.290 nan 0.000 0.448 1257 R N -0.286 120.151 120.500 -0.105 0.000 2.062 1257 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 1257 R C 2.130 178.384 176.300 -0.076 0.000 1.128 1257 R CA 1.555 57.587 56.100 -0.113 0.000 0.960 1257 R CB -0.479 29.730 30.300 -0.152 0.000 0.855 1257 R HN 0.429 nan 8.270 nan 0.000 0.432 1258 G N 0.872 109.644 108.800 -0.046 0.000 2.432 1258 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 1258 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 1258 G C 1.450 176.388 174.900 0.064 0.000 1.135 1258 G CA 0.405 45.545 45.100 0.067 0.000 0.767 1258 G HN 0.246 nan 8.290 nan 0.000 0.550 1259 I N -0.048 120.530 120.570 0.013 0.000 2.614 1259 I HA -0.085 4.085 4.170 -0.000 0.000 0.258 1259 I C 2.625 178.738 176.117 -0.007 0.000 1.189 1259 I CA 0.776 62.078 61.300 0.003 0.000 1.462 1259 I CB -0.022 37.960 38.000 -0.030 0.000 1.092 1259 I HN 0.097 nan 8.210 nan 0.000 0.442 1260 K N 0.152 120.539 120.400 -0.023 0.000 2.360 1260 K HA -0.129 4.191 4.320 -0.000 0.000 0.201 1260 K C 1.298 177.893 176.600 -0.008 0.000 1.046 1260 K CA 1.611 57.880 56.287 -0.032 0.000 0.945 1260 K CB -0.000 32.466 32.500 -0.056 0.000 0.750 1260 K HN 0.405 nan 8.250 nan 0.000 0.464 1261 T N -2.613 111.948 114.554 0.012 0.000 3.252 1261 T HA 0.193 4.543 4.350 -0.000 0.000 0.286 1261 T C 1.168 175.861 174.700 -0.010 0.000 1.013 1261 T CA -0.483 61.623 62.100 0.010 0.000 0.914 1261 T CB 0.057 68.950 68.868 0.042 0.000 1.131 1261 T HN 0.010 nan 8.240 nan 0.000 0.529 1262 L N 2.317 123.532 121.223 -0.014 0.000 1.955 1262 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 1262 L C 2.810 179.503 176.870 -0.295 0.000 1.072 1262 L CA 2.482 57.288 54.840 -0.056 0.000 0.755 1262 L CB -0.529 41.558 42.059 0.047 0.000 0.888 1262 L HN 0.512 nan 8.230 nan 0.000 0.432 1263 N N 0.363 118.760 118.700 -0.506 0.000 2.060 1263 N HA -0.276 4.464 4.740 -0.000 0.000 0.195 1263 N C 1.734 176.973 175.510 -0.451 0.000 1.028 1263 N CA 1.725 54.135 53.050 -1.067 0.000 0.861 1263 N CB -1.039 37.039 38.487 -0.682 0.000 1.029 1263 N HN 0.191 nan 8.380 nan 0.000 0.428 1264 L N 1.103 122.205 121.223 -0.201 0.000 1.989 1264 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 1264 L C 2.797 179.633 176.870 -0.056 0.000 1.071 1264 L CA 1.585 56.372 54.840 -0.087 0.000 0.749 1264 L CB -0.924 41.107 42.059 -0.046 0.000 0.890 1264 L HN 0.243 nan 8.230 nan 0.000 0.431 1265 R N -1.867 118.611 120.500 -0.037 0.000 2.081 1265 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 1265 R C 2.112 178.491 176.300 0.132 0.000 1.131 1265 R CA 1.127 57.240 56.100 0.022 0.000 0.960 1265 R CB -0.430 29.915 30.300 0.075 0.000 0.856 1265 R HN 0.240 nan 8.270 nan 0.000 0.436 1266 M N 1.184 120.831 119.600 0.077 0.000 2.149 1266 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 1266 M C 1.352 177.735 176.300 0.137 0.000 1.064 1266 M CA 1.565 56.925 55.300 0.100 0.000 1.102 1266 M CB -0.828 31.822 32.600 0.083 0.000 1.369 1266 M HN 0.015 nan 8.290 nan 0.000 0.408 1267 D N -0.597 119.866 120.400 0.105 0.000 2.097 1267 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 1267 D C 2.133 178.467 176.300 0.057 0.000 0.989 1267 D CA 1.229 55.287 54.000 0.097 0.000 0.827 1267 D CB -0.271 40.568 40.800 0.065 0.000 0.966 1267 D HN 0.166 nan 8.370 nan 0.000 0.456 1268 R N 0.260 120.768 120.500 0.014 0.000 2.075 1268 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 1268 R C 2.201 178.486 176.300 -0.025 0.000 1.126 1268 R CA 1.425 57.501 56.100 -0.039 0.000 0.963 1268 R CB -0.740 29.490 30.300 -0.116 0.000 0.858 1268 R HN 0.331 nan 8.270 nan 0.000 0.435 1269 H N -0.771 118.306 119.070 0.012 0.000 2.352 1269 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 1269 H C 2.095 177.448 175.328 0.041 0.000 1.097 1269 H CA 1.973 58.041 56.048 0.033 0.000 1.311 1269 H CB -0.310 29.482 29.762 0.050 0.000 1.377 1269 H HN 0.304 nan 8.280 nan 0.000 0.504 1270 C N 0.351 119.752 119.300 0.169 0.000 2.476 1270 C HA 0.050 4.510 4.460 -0.000 0.000 0.278 1270 C C 3.127 178.184 174.990 0.112 0.000 1.274 1270 C CA 0.658 59.761 59.018 0.143 0.000 1.713 1270 C CB -1.004 26.794 27.740 0.097 0.000 2.039 1270 C HN 0.612 nan 8.230 nan 0.000 0.484 1271 A N 1.118 123.981 122.820 0.072 0.000 1.972 1271 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 1271 A C 1.862 179.462 177.584 0.027 0.000 1.169 1271 A CA 2.048 54.113 52.037 0.046 0.000 0.635 1271 A CB -0.582 18.434 19.000 0.027 0.000 0.810 1271 A HN 0.628 nan 8.150 nan 0.000 0.446 1272 N N 0.167 118.880 118.700 0.021 0.000 2.135 1272 N HA -0.013 4.727 4.740 -0.000 0.000 0.186 1272 N C 1.867 177.372 175.510 -0.009 0.000 1.027 1272 N CA 1.620 54.671 53.050 0.002 0.000 0.849 1272 N CB -0.469 38.014 38.487 -0.006 0.000 1.002 1272 N HN 0.390 nan 8.380 nan 0.000 0.425 1273 A N 0.212 123.028 122.820 -0.006 0.000 1.933 1273 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1273 A C 2.153 179.525 177.584 -0.354 0.000 1.175 1273 A CA 1.405 53.355 52.037 -0.146 0.000 0.628 1273 A CB -0.630 18.306 19.000 -0.108 0.000 0.814 1273 A HN 0.272 nan 8.150 nan 0.000 0.444 1274 Q N 0.010 119.709 119.800 -0.168 0.000 1.975 1274 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 1274 Q C 1.998 177.953 176.000 -0.075 0.000 0.990 1274 Q CA 2.440 58.194 55.803 -0.081 0.000 0.845 1274 Q CB -0.804 27.987 28.738 0.088 0.000 0.913 1274 Q HN 0.327 nan 8.270 nan 0.000 0.420 1275 V N 0.647 120.546 119.914 -0.026 0.000 2.250 1275 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 1275 V C 2.385 178.480 176.094 0.001 0.000 1.060 1275 V CA 2.165 64.465 62.300 -0.000 0.000 1.030 1275 V CB -0.760 31.060 31.823 -0.005 0.000 0.643 1275 V HN 0.450 nan 8.190 nan 0.000 0.445 1276 L N -0.563 120.634 121.223 -0.044 0.000 2.042 1276 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 1276 L C 2.632 179.483 176.870 -0.031 0.000 1.076 1276 L CA 1.798 56.620 54.840 -0.031 0.000 0.749 1276 L CB -0.615 41.425 42.059 -0.032 0.000 0.893 1276 L HN 0.434 nan 8.230 nan 0.000 0.432 1277 A N -0.553 122.169 122.820 -0.163 0.000 1.877 1277 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 1277 A C 2.038 179.600 177.584 -0.037 0.000 1.186 1277 A CA 1.771 53.710 52.037 -0.164 0.000 0.620 1277 A CB -0.466 18.305 19.000 -0.383 0.000 0.822 1277 A HN 0.379 nan 8.150 nan 0.000 0.443 1278 E N -0.950 119.251 120.200 0.001 0.000 2.038 1278 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 1278 E C 1.657 178.272 176.600 0.025 0.000 1.000 1278 E CA 1.645 58.063 56.400 0.029 0.000 0.803 1278 E CB -0.396 29.334 29.700 0.048 0.000 0.750 1278 E HN 0.636 nan 8.360 nan 0.000 0.448 1279 F N 0.153 120.054 119.950 -0.081 0.000 2.134 1279 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 1279 F C 1.761 177.484 175.800 -0.128 0.000 1.097 1279 F CA 0.943 58.891 58.000 -0.088 0.000 1.264 1279 F CB -0.079 38.873 39.000 -0.080 0.000 1.001 1279 F HN 0.065 nan 8.300 nan 0.000 0.479 1280 L N 0.559 121.763 121.223 -0.033 0.000 2.131 1280 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 1280 L C 2.614 179.317 176.870 -0.279 0.000 1.092 1280 L CA 1.756 56.449 54.840 -0.246 0.000 0.759 1280 L CB -2.099 39.770 42.059 -0.316 0.000 0.903 1280 L HN 0.325 nan 8.230 nan 0.000 0.435 1281 A N -0.789 121.923 122.820 -0.179 0.000 2.172 1281 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 1281 A C 2.109 179.592 177.584 -0.168 0.000 1.154 1281 A CA 0.852 52.809 52.037 -0.134 0.000 0.701 1281 A CB -0.361 18.602 19.000 -0.061 0.000 0.789 1281 A HN 0.436 nan 8.150 nan 0.000 0.465 1282 R N -0.694 119.649 120.500 -0.261 0.000 2.437 1282 R HA 0.137 4.477 4.340 -0.000 0.000 0.257 1282 R C -0.489 175.628 176.300 -0.305 0.000 0.927 1282 R CA -0.145 55.801 56.100 -0.256 0.000 1.078 1282 R CB 0.359 30.506 30.300 -0.254 0.000 1.161 1282 R HN 0.386 nan 8.270 nan 0.000 0.529 1283 Q N 1.277 120.862 119.800 -0.358 0.000 2.241 1283 Q HA 0.186 4.526 4.340 -0.000 0.000 0.254 1283 Q C -1.763 174.128 176.000 -0.183 0.000 0.917 1283 Q CA -2.333 53.285 55.803 -0.308 0.000 0.919 1283 Q CB 1.271 29.786 28.738 -0.372 0.000 1.237 1283 Q HN -0.067 nan 8.270 nan 0.000 0.434 1284 P HA -0.165 nan 4.420 nan 0.000 0.219 1284 P C 0.477 177.738 177.300 -0.066 0.000 1.146 1284 P CA 1.259 64.309 63.100 -0.083 0.000 0.808 1284 P CB 0.568 32.231 31.700 -0.062 0.000 0.779 1285 Q N -0.443 119.315 119.800 -0.070 0.000 2.245 1285 Q HA 0.025 4.365 4.340 -0.000 0.000 0.201 1285 Q C 0.670 176.643 176.000 -0.045 0.000 0.955 1285 Q CA 0.485 56.261 55.803 -0.045 0.000 0.870 1285 Q CB -0.359 28.361 28.738 -0.030 0.000 0.945 1285 Q HN 0.129 nan 8.270 nan 0.000 0.461 1286 V N 1.392 121.258 119.914 -0.080 0.000 2.461 1286 V HA 0.044 4.164 4.120 -0.000 0.000 0.275 1286 V C 0.931 177.005 176.094 -0.033 0.000 1.047 1286 V CA 0.044 62.314 62.300 -0.050 0.000 0.955 1286 V CB 1.417 33.149 31.823 -0.152 0.000 0.988 1286 V HN 0.228 nan 8.190 nan 0.000 0.471 1287 E N 2.915 123.117 120.200 0.003 0.000 2.307 1287 E HA 0.214 4.564 4.350 -0.000 0.000 0.195 1287 E C -0.293 176.295 176.600 -0.019 0.000 0.975 1287 E CA 0.103 56.498 56.400 -0.009 0.000 0.878 1287 E CB 0.641 30.342 29.700 0.001 0.000 0.845 1287 E HN 0.482 nan 8.360 nan 0.000 0.488 1288 L N 0.795 122.007 121.223 -0.018 0.000 2.611 1288 L HA 0.428 4.768 4.340 -0.000 0.000 0.260 1288 L C -1.963 174.820 176.870 -0.145 0.000 0.924 1288 L CA -0.432 54.354 54.840 -0.089 0.000 0.901 1288 L CB 1.869 43.867 42.059 -0.102 0.000 1.369 1288 L HN -0.090 nan 8.230 nan 0.000 0.415 1289 I N 3.590 124.058 120.570 -0.171 0.000 2.436 1289 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 1289 I C -0.914 175.155 176.117 -0.079 0.000 1.010 1289 I CA -0.446 60.803 61.300 -0.085 0.000 1.098 1289 I CB 1.822 39.840 38.000 0.031 0.000 1.266 1289 I HN 0.585 nan 8.210 nan 0.000 0.434 1290 H N 5.724 124.987 119.070 0.322 0.000 2.680 1290 H HA 0.366 4.922 4.556 -0.000 0.000 0.260 1290 H C -1.431 174.165 175.328 0.447 0.000 1.328 1290 H CA -0.453 55.843 56.048 0.415 0.000 1.269 1290 H CB 0.321 30.294 29.762 0.353 0.000 1.446 1290 H HN 0.452 nan 8.280 nan 0.000 0.527 1291 Y N 3.256 123.756 120.300 0.335 0.000 2.346 1291 Y HA 0.290 4.840 4.550 -0.000 0.000 0.332 1291 Y C -2.364 173.394 175.900 -0.236 0.000 0.985 1291 Y CA -3.343 54.803 58.100 0.077 0.000 1.112 1291 Y CB 2.042 40.558 38.460 0.093 0.000 1.170 1291 Y HN 0.281 nan 8.280 nan 0.000 0.447 1292 P HA -0.050 nan 4.420 nan 0.000 0.226 1292 P C 1.148 177.985 177.300 -0.771 0.000 1.146 1292 P CA 1.793 64.021 63.100 -1.453 0.000 0.773 1292 P CB 0.321 31.353 31.700 -1.114 0.000 0.772 1293 G N -1.186 107.121 108.800 -0.821 0.000 2.603 1293 G HA2 0.018 3.978 3.960 -0.000 0.000 0.214 1293 G HA3 0.018 3.978 3.960 -0.000 0.000 0.214 1293 G C 0.432 175.517 174.900 0.309 0.000 1.140 1293 G CA -0.126 44.901 45.100 -0.122 0.000 0.800 1293 G HN 0.206 nan 8.290 nan 0.000 0.533 1294 L N 1.272 122.699 121.223 0.340 0.000 2.410 1294 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 1294 L C 1.903 178.921 176.870 0.247 0.000 1.152 1294 L CA -0.507 54.512 54.840 0.298 0.000 0.855 1294 L CB 1.419 43.648 42.059 0.283 0.000 1.129 1294 L HN 0.146 nan 8.230 nan 0.000 0.463 1295 A N 1.922 124.702 122.820 -0.067 0.000 2.125 1295 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 1295 A C 2.192 179.567 177.584 -0.349 0.000 1.156 1295 A CA 1.610 53.242 52.037 -0.677 0.000 0.671 1295 A CB -0.391 18.309 19.000 -0.500 0.000 0.794 1295 A HN 0.858 nan 8.150 nan 0.000 0.459 1296 S N -1.486 114.188 115.700 -0.044 0.000 2.527 1296 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 1296 S C 0.473 175.149 174.600 0.127 0.000 0.985 1296 S CA -0.403 57.809 58.200 0.020 0.000 0.921 1296 S CB -0.626 62.593 63.200 0.031 0.000 0.772 1296 S HN 0.375 nan 8.310 nan 0.000 0.529 1297 F N 4.361 124.375 119.950 0.107 0.000 2.590 1297 F HA 0.251 4.778 4.527 -0.000 0.000 0.389 1297 F C -1.484 174.409 175.800 0.155 0.000 1.049 1297 F CA -2.023 56.076 58.000 0.165 0.000 1.199 1297 F CB 0.379 39.510 39.000 0.218 0.000 1.058 1297 F HN 0.024 nan 8.300 nan 0.000 0.556 1298 P HA -0.273 nan 4.420 nan 0.000 0.219 1298 P C 0.476 177.686 177.300 -0.151 0.000 1.161 1298 P CA 1.997 64.927 63.100 -0.283 0.000 0.909 1298 P CB 0.062 31.555 31.700 -0.345 0.000 0.793 1299 Q N -2.789 116.857 119.800 -0.257 0.000 2.225 1299 Q HA 0.034 4.374 4.340 -0.000 0.000 0.222 1299 Q C 1.199 177.422 176.000 0.372 0.000 0.887 1299 Q CA -0.315 55.553 55.803 0.108 0.000 0.958 1299 Q CB -0.650 28.165 28.738 0.128 0.000 1.058 1299 Q HN 0.243 nan 8.270 nan 0.000 0.459 1300 Y N 0.387 120.891 120.300 0.341 0.000 2.062 1300 Y HA -0.402 4.148 4.550 -0.000 0.000 0.276 1300 Y C 2.011 177.978 175.900 0.112 0.000 1.189 1300 Y CA 2.437 60.695 58.100 0.263 0.000 1.130 1300 Y CB -0.131 38.435 38.460 0.176 0.000 0.959 1300 Y HN 0.159 nan 8.280 nan 0.000 0.499 1301 T N 0.719 115.389 114.554 0.192 0.000 2.643 1301 T HA -0.222 4.128 4.350 -0.000 0.000 0.264 1301 T C 1.789 176.476 174.700 -0.022 0.000 1.045 1301 T CA 1.511 63.651 62.100 0.067 0.000 1.155 1301 T CB -0.862 68.063 68.868 0.095 0.000 0.863 1301 T HN 0.331 nan 8.240 nan 0.000 0.420 1302 L N 1.528 122.754 121.223 0.006 0.000 2.079 1302 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 1302 L C 2.563 179.399 176.870 -0.057 0.000 1.081 1302 L CA 1.894 56.721 54.840 -0.023 0.000 0.752 1302 L CB -1.061 40.987 42.059 -0.018 0.000 0.896 1302 L HN 0.242 nan 8.230 nan 0.000 0.433 1303 A N -0.382 122.400 122.820 -0.063 0.000 1.877 1303 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 1303 A C 2.264 179.723 177.584 -0.208 0.000 1.186 1303 A CA 1.597 53.549 52.037 -0.142 0.000 0.620 1303 A CB -0.568 18.302 19.000 -0.216 0.000 0.822 1303 A HN 0.466 nan 8.150 nan 0.000 0.443 1304 R N -0.515 119.819 120.500 -0.276 0.000 2.200 1304 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 1304 R C 2.076 178.283 176.300 -0.155 0.000 1.127 1304 R CA 1.620 57.562 56.100 -0.265 0.000 0.989 1304 R CB -0.476 29.643 30.300 -0.301 0.000 0.869 1304 R HN 0.743 nan 8.270 nan 0.000 0.459 1305 Q N 0.295 120.026 119.800 -0.115 0.000 2.089 1305 Q HA -0.051 4.289 4.340 -0.000 0.000 0.195 1305 Q C 1.925 177.879 176.000 -0.076 0.000 0.963 1305 Q CA 1.188 56.944 55.803 -0.077 0.000 0.834 1305 Q CB 0.299 29.006 28.738 -0.052 0.000 0.906 1305 Q HN 0.374 nan 8.270 nan 0.000 0.452 1306 Q N -0.961 118.791 119.800 -0.080 0.000 2.259 1306 Q HA 0.136 4.476 4.340 -0.000 0.000 0.201 1306 Q C -0.111 175.833 176.000 -0.093 0.000 0.938 1306 Q CA 0.357 56.118 55.803 -0.069 0.000 0.872 1306 Q CB 0.466 29.176 28.738 -0.047 0.000 0.971 1306 Q HN 0.295 nan 8.270 nan 0.000 0.494 1307 M N 0.790 120.315 119.600 -0.125 0.000 2.113 1307 M HA 0.127 4.607 4.480 -0.000 0.000 0.352 1307 M C 0.884 177.075 176.300 -0.181 0.000 1.170 1307 M CA -0.335 54.873 55.300 -0.153 0.000 1.053 1307 M CB 1.675 34.173 32.600 -0.171 0.000 1.601 1307 M HN 0.046 nan 8.290 nan 0.000 0.459 1308 S N 2.136 117.711 115.700 -0.209 0.000 2.423 1308 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 1308 S C 0.515 174.982 174.600 -0.221 0.000 1.014 1308 S CA 0.674 58.735 58.200 -0.232 0.000 0.965 1308 S CB 0.012 63.015 63.200 -0.327 0.000 0.785 1308 S HN 0.799 nan 8.310 nan 0.000 0.495 1309 Q N -0.033 119.635 119.800 -0.219 0.000 2.379 1309 Q HA 0.345 4.685 4.340 -0.000 0.000 0.278 1309 Q C -2.646 173.249 176.000 -0.174 0.000 1.068 1309 Q CA -2.272 53.431 55.803 -0.168 0.000 0.816 1309 Q CB 2.071 30.726 28.738 -0.140 0.000 1.387 1309 Q HN -0.016 nan 8.270 nan 0.000 0.413 1310 P HA -0.110 nan 4.420 nan 0.000 0.226 1310 P C 0.272 177.429 177.300 -0.239 0.000 1.146 1310 P CA 1.506 64.428 63.100 -0.297 0.000 0.773 1310 P CB 0.111 31.613 31.700 -0.330 0.000 0.772 1311 G N -1.491 107.260 108.800 -0.082 0.000 2.728 1311 G HA2 0.051 4.011 3.960 -0.000 0.000 0.294 1311 G HA3 0.051 4.011 3.960 -0.000 0.000 0.294 1311 G C 0.524 175.496 174.900 0.120 0.000 1.342 1311 G CA -0.550 44.523 45.100 -0.044 0.000 0.866 1311 G HN 0.301 nan 8.290 nan 0.000 0.534 1312 G N -0.959 107.885 108.800 0.073 0.000 3.519 1312 G HA2 0.504 4.464 3.960 -0.000 0.000 0.269 1312 G HA3 0.504 4.464 3.960 -0.000 0.000 0.269 1312 G C 0.532 175.563 174.900 0.218 0.000 1.028 1312 G CA 0.303 45.514 45.100 0.186 0.000 0.809 1312 G HN 0.530 nan 8.290 nan 0.000 0.521 1313 M N 1.121 120.849 119.600 0.212 0.000 2.363 1313 M HA 0.579 5.059 4.480 -0.000 0.000 0.343 1313 M C -0.777 175.727 176.300 0.339 0.000 1.165 1313 M CA -0.801 54.617 55.300 0.197 0.000 1.046 1313 M CB 1.478 34.117 32.600 0.066 0.000 1.648 1313 M HN -0.134 nan 8.290 nan 0.000 0.452 1314 I N 1.647 122.401 120.570 0.307 0.000 2.548 1314 I HA 0.609 4.779 4.170 -0.000 0.000 0.287 1314 I C -0.630 175.707 176.117 0.366 0.000 1.103 1314 I CA -0.726 60.782 61.300 0.348 0.000 1.049 1314 I CB 2.110 40.235 38.000 0.209 0.000 1.232 1314 I HN 0.770 nan 8.210 nan 0.000 0.429 1315 A N 6.358 129.422 122.820 0.406 0.000 2.337 1315 A HA 1.009 5.329 4.320 -0.000 0.000 0.331 1315 A C -1.027 176.811 177.584 0.425 0.000 1.137 1315 A CA -0.396 51.858 52.037 0.362 0.000 0.807 1315 A CB 1.330 20.552 19.000 0.369 0.000 1.250 1315 A HN 0.696 nan 8.150 nan 0.000 0.468 1316 F N -0.853 119.169 119.950 0.121 0.000 2.693 1316 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 1316 F C -0.894 174.890 175.800 -0.026 0.000 1.129 1316 F CA -0.907 57.081 58.000 -0.020 0.000 0.948 1316 F CB 1.211 40.163 39.000 -0.080 0.000 1.315 1316 F HN 0.543 nan 8.300 nan 0.000 0.447 1317 E N 2.646 122.885 120.200 0.065 0.000 2.212 1317 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 1317 E C -1.424 175.205 176.600 0.048 0.000 0.902 1317 E CA -0.902 55.484 56.400 -0.022 0.000 0.779 1317 E CB 3.060 32.775 29.700 0.024 0.000 1.172 1317 E HN 0.635 nan 8.360 nan 0.000 0.409 1318 L N 2.439 123.642 121.223 -0.034 0.000 2.307 1318 L HA 0.282 4.622 4.340 -0.000 0.000 0.282 1318 L C 1.369 178.234 176.870 -0.008 0.000 1.051 1318 L CA -0.540 54.292 54.840 -0.014 0.000 0.804 1318 L CB 1.000 43.011 42.059 -0.080 0.000 1.197 1318 L HN 0.438 nan 8.230 nan 0.000 0.431 1319 K N 2.180 122.579 120.400 -0.002 0.000 2.211 1319 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 1319 K C 1.726 178.328 176.600 0.004 0.000 1.047 1319 K CA 1.306 57.593 56.287 0.000 0.000 0.935 1319 K CB -0.139 32.358 32.500 -0.005 0.000 0.728 1319 K HN 0.935 nan 8.250 nan 0.000 0.452 1320 G N 0.605 109.406 108.800 0.001 0.000 2.848 1320 G HA2 0.177 4.137 3.960 -0.000 0.000 0.208 1320 G HA3 0.177 4.137 3.960 -0.000 0.000 0.208 1320 G C 0.751 175.661 174.900 0.017 0.000 1.152 1320 G CA 0.338 45.444 45.100 0.008 0.000 0.789 1320 G HN 0.482 nan 8.290 nan 0.000 0.531 1321 G N 0.441 109.253 108.800 0.019 0.000 2.512 1321 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 1321 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 1321 G C 1.157 176.108 174.900 0.085 0.000 1.199 1321 G CA 0.455 45.585 45.100 0.049 0.000 0.941 1321 G HN 0.793 nan 8.290 nan 0.000 0.569 1322 I N -0.387 120.261 120.570 0.129 0.000 2.233 1322 I HA 0.248 4.418 4.170 -0.000 0.000 0.243 1322 I C 2.920 179.130 176.117 0.156 0.000 1.093 1322 I CA 1.957 63.399 61.300 0.236 0.000 1.380 1322 I CB -1.199 36.905 38.000 0.174 0.000 1.067 1322 I HN 0.812 nan 8.210 nan 0.000 0.413 1323 G N 1.178 110.033 108.800 0.091 0.000 2.529 1323 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 1323 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 1323 G C 1.828 176.755 174.900 0.046 0.000 1.177 1323 G CA 1.354 46.493 45.100 0.065 0.000 0.773 1323 G HN 0.590 nan 8.290 nan 0.000 0.573 1324 A N 0.488 123.323 122.820 0.025 0.000 2.015 1324 A HA 0.221 4.541 4.320 -0.000 0.000 0.219 1324 A C 2.629 180.192 177.584 -0.035 0.000 1.163 1324 A CA 1.975 54.018 52.037 0.011 0.000 0.646 1324 A CB -0.725 18.273 19.000 -0.003 0.000 0.806 1324 A HN 0.565 nan 8.150 nan 0.000 0.448 1325 G N -0.754 107.948 108.800 -0.164 0.000 2.408 1325 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 1325 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 1325 G C 1.763 176.500 174.900 -0.272 0.000 1.156 1325 G CA 0.537 45.297 45.100 -0.567 0.000 0.793 1325 G HN 0.511 nan 8.290 nan 0.000 0.535 1326 R N 0.318 120.813 120.500 -0.008 0.000 2.057 1326 R HA 0.037 4.377 4.340 -0.000 0.000 0.229 1326 R C 2.765 179.107 176.300 0.071 0.000 1.136 1326 R CA 0.930 57.090 56.100 0.100 0.000 0.952 1326 R CB -0.367 30.004 30.300 0.119 0.000 0.848 1326 R HN 0.266 nan 8.270 nan 0.000 0.430 1327 R N 0.139 120.680 120.500 0.068 0.000 2.091 1327 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 1327 R C 2.226 178.570 176.300 0.073 0.000 1.136 1327 R CA 1.613 57.750 56.100 0.062 0.000 0.959 1327 R CB -0.543 29.796 30.300 0.064 0.000 0.856 1327 R HN 0.217 nan 8.270 nan 0.000 0.437 1328 F N 1.232 121.163 119.950 -0.030 0.000 2.186 1328 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 1328 F C 2.183 177.972 175.800 -0.018 0.000 1.090 1328 F CA 1.295 59.284 58.000 -0.019 0.000 1.307 1328 F CB 0.015 39.004 39.000 -0.018 0.000 1.019 1328 F HN -0.138 nan 8.300 nan 0.000 0.489 1329 M N 0.680 120.278 119.600 -0.003 0.000 2.081 1329 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 1329 M C 1.961 178.204 176.300 -0.095 0.000 1.075 1329 M CA 1.704 56.964 55.300 -0.067 0.000 1.133 1329 M CB -1.621 31.033 32.600 0.091 0.000 1.330 1329 M HN 0.267 nan 8.290 nan 0.000 0.414 1330 N N 0.126 118.808 118.700 -0.030 0.000 2.348 1330 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 1330 N C 1.388 176.864 175.510 -0.056 0.000 1.019 1330 N CA 0.856 53.892 53.050 -0.023 0.000 0.880 1330 N CB 0.011 38.501 38.487 0.005 0.000 0.965 1330 N HN 0.314 nan 8.380 nan 0.000 0.437 1331 A N 0.758 123.515 122.820 -0.106 0.000 2.169 1331 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 1331 A C 0.842 178.332 177.584 -0.156 0.000 1.153 1331 A CA -0.062 51.906 52.037 -0.115 0.000 0.756 1331 A CB -0.025 18.910 19.000 -0.108 0.000 0.813 1331 A HN 0.124 nan 8.150 nan 0.000 0.471 1332 L N 0.331 121.425 121.223 -0.215 0.000 2.490 1332 L HA 0.012 4.352 4.340 -0.000 0.000 0.274 1332 L C 1.288 178.123 176.870 -0.058 0.000 1.201 1332 L CA -0.226 54.510 54.840 -0.173 0.000 0.869 1332 L CB 0.496 42.461 42.059 -0.156 0.000 1.123 1332 L HN 0.365 nan 8.230 nan 0.000 0.484 1333 Q N 1.889 121.676 119.800 -0.023 0.000 2.422 1333 Q HA 0.084 4.424 4.340 -0.000 0.000 0.255 1333 Q C 1.262 177.273 176.000 0.018 0.000 0.864 1333 Q CA 0.249 56.050 55.803 -0.004 0.000 0.968 1333 Q CB 0.399 29.130 28.738 -0.012 0.000 1.130 1333 Q HN 0.626 nan 8.270 nan 0.000 0.556 1334 L N -0.689 120.566 121.223 0.053 0.000 2.362 1334 L HA 0.334 4.674 4.340 -0.000 0.000 0.204 1334 L C 0.263 177.158 176.870 0.042 0.000 1.060 1334 L CA 0.670 55.532 54.840 0.038 0.000 0.827 1334 L CB -0.062 42.021 42.059 0.039 0.000 1.027 1334 L HN -0.098 nan 8.230 nan 0.000 0.474 1335 F N 0.586 120.511 119.950 -0.041 0.000 2.506 1335 F HA 0.237 4.764 4.527 -0.000 0.000 0.351 1335 F C 0.973 176.760 175.800 -0.022 0.000 1.136 1335 F CA 0.206 58.194 58.000 -0.021 0.000 1.298 1335 F CB 0.574 39.565 39.000 -0.015 0.000 1.145 1335 F HN -0.076 nan 8.300 nan 0.000 0.593 1336 S N 2.993 118.764 115.700 0.118 0.000 2.509 1336 S HA 0.508 4.978 4.470 -0.000 0.000 0.297 1336 S C -0.350 174.316 174.600 0.110 0.000 1.118 1336 S CA -1.019 57.228 58.200 0.078 0.000 1.074 1336 S CB 1.413 64.627 63.200 0.023 0.000 1.038 1336 S HN 0.428 nan 8.310 nan 0.000 0.498 1337 R N 1.801 122.350 120.500 0.081 0.000 2.325 1337 R HA 0.571 4.911 4.340 -0.000 0.000 0.323 1337 R C -0.200 176.143 176.300 0.071 0.000 1.177 1337 R CA -0.019 56.132 56.100 0.084 0.000 1.018 1337 R CB 0.031 30.369 30.300 0.062 0.000 1.070 1337 R HN 0.713 nan 8.270 nan 0.000 0.495 1338 A N 1.634 124.504 122.820 0.083 0.000 2.608 1338 A HA 0.464 4.784 4.320 -0.000 0.000 0.292 1338 A C -0.511 177.120 177.584 0.079 0.000 1.066 1338 A CA -0.876 51.201 52.037 0.066 0.000 0.676 1338 A CB 0.925 19.954 19.000 0.047 0.000 1.277 1338 A HN 0.369 nan 8.150 nan 0.000 0.413 1339 V N -0.349 119.608 119.914 0.072 0.000 3.214 1339 V HA 0.856 4.976 4.120 -0.000 0.000 0.306 1339 V C 0.427 176.570 176.094 0.080 0.000 1.078 1339 V CA 0.569 62.923 62.300 0.090 0.000 1.077 1339 V CB 0.847 32.725 31.823 0.092 0.000 1.121 1339 V HN 2.934 nan 8.190 nan 0.000 0.468 1340 S N 1.145 116.902 115.700 0.096 0.000 3.913 1340 S HA 0.094 4.564 4.470 -0.000 0.000 0.694 1340 S C -1.136 173.461 174.600 -0.005 0.000 1.028 1340 S CA 0.268 58.499 58.200 0.051 0.000 1.147 1340 S CB -0.906 62.309 63.200 0.026 0.000 0.491 1340 S HN 2.684 nan 8.310 nan 0.000 0.680 1341 L N -0.315 120.850 121.223 -0.098 0.000 2.828 1341 L HA 0.906 5.246 4.340 -0.000 0.000 0.264 1341 L C 1.223 177.830 176.870 -0.438 0.000 1.106 1341 L CA 0.284 54.992 54.840 -0.220 0.000 0.955 1341 L CB 0.091 42.003 42.059 -0.246 0.000 1.558 1341 L HN 2.454 nan 8.230 nan 0.000 0.386 1342 G N 0.158 108.515 108.800 -0.738 0.000 2.143 1342 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.248 1342 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.248 1342 G C -0.300 174.308 174.900 -0.487 0.000 0.991 1342 G CA 0.549 44.921 45.100 -1.214 0.000 0.689 1342 G HN 0.810 nan 8.290 nan 0.000 0.522 1343 D N -0.931 119.327 120.400 -0.237 0.000 2.326 1343 D HA 0.680 5.320 4.640 -0.000 0.000 0.251 1343 D C 1.407 177.693 176.300 -0.022 0.000 1.023 1343 D CA 0.150 54.081 54.000 -0.115 0.000 0.966 1343 D CB 1.152 41.895 40.800 -0.095 0.000 1.156 1343 D HN 0.266 nan 8.370 nan 0.000 0.494 1344 A N 0.838 123.597 122.820 -0.102 0.000 2.070 1344 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 1344 A C 0.699 178.213 177.584 -0.116 0.000 1.159 1344 A CA 1.181 53.142 52.037 -0.128 0.000 0.656 1344 A CB -0.309 18.577 19.000 -0.191 0.000 0.800 1344 A HN 0.492 nan 8.150 nan 0.000 0.453 1345 E N 0.707 120.846 120.200 -0.103 0.000 2.259 1345 E HA 0.398 4.748 4.350 -0.000 0.000 0.281 1345 E C -0.411 176.077 176.600 -0.185 0.000 1.027 1345 E CA -0.083 56.237 56.400 -0.133 0.000 0.838 1345 E CB 1.096 30.738 29.700 -0.097 0.000 1.066 1345 E HN 0.239 nan 8.360 nan 0.000 0.401 1346 S N 3.130 118.625 115.700 -0.342 0.000 2.531 1346 S HA 0.287 4.757 4.470 -0.000 0.000 0.279 1346 S C -0.183 174.131 174.600 -0.476 0.000 1.305 1346 S CA -0.409 57.421 58.200 -0.616 0.000 1.058 1346 S CB 0.087 62.460 63.200 -1.377 0.000 0.899 1346 S HN 0.296 nan 8.310 nan 0.000 0.493 1347 L N 1.989 123.119 121.223 -0.155 0.000 2.341 1347 L HA 0.922 5.262 4.340 -0.000 0.000 0.267 1347 L C -0.106 177.013 176.870 0.414 0.000 1.009 1347 L CA -0.892 54.019 54.840 0.119 0.000 0.819 1347 L CB 1.862 43.957 42.059 0.061 0.000 1.323 1347 L HN 0.686 nan 8.230 nan 0.000 0.425 1348 A N 1.991 125.046 122.820 0.392 0.000 2.539 1348 A HA 0.815 5.135 4.320 -0.000 0.000 0.296 1348 A C -1.445 176.270 177.584 0.218 0.000 1.073 1348 A CA -0.460 51.781 52.037 0.340 0.000 0.700 1348 A CB 2.255 21.442 19.000 0.312 0.000 1.296 1348 A HN 0.737 nan 8.150 nan 0.000 0.405 1349 Q N 0.865 120.783 119.800 0.197 0.000 2.391 1349 Q HA 0.459 4.799 4.340 -0.000 0.000 0.279 1349 Q C -1.951 174.170 176.000 0.202 0.000 1.028 1349 Q CA -0.653 55.255 55.803 0.175 0.000 0.836 1349 Q CB 1.499 30.325 28.738 0.146 0.000 1.414 1349 Q HN 0.914 nan 8.270 nan 0.000 0.397 1350 H N 3.523 122.634 119.070 0.068 0.000 2.541 1350 H HA 0.253 4.809 4.556 -0.000 0.000 0.246 1350 H C -2.121 173.242 175.328 0.058 0.000 1.341 1350 H CA -2.271 53.803 56.048 0.044 0.000 1.469 1350 H CB 1.491 31.284 29.762 0.052 0.000 1.472 1350 H HN 0.547 nan 8.280 nan 0.000 0.503 1351 P HA -0.254 nan 4.420 nan 0.000 0.220 1351 P C 1.347 178.587 177.300 -0.100 0.000 1.155 1351 P CA 2.187 65.291 63.100 0.007 0.000 0.880 1351 P CB 0.152 31.914 31.700 0.103 0.000 0.790 1352 A N -0.955 121.626 122.820 -0.398 0.000 2.121 1352 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 1352 A C 1.985 179.400 177.584 -0.282 0.000 1.154 1352 A CA 1.989 53.822 52.037 -0.339 0.000 0.679 1352 A CB -0.922 17.850 19.000 -0.380 0.000 0.795 1352 A HN 0.383 nan 8.150 nan 0.000 0.458 1353 S N -2.433 113.064 115.700 -0.338 0.000 2.632 1353 S HA 0.301 4.771 4.470 -0.000 0.000 0.237 1353 S C 1.419 175.996 174.600 -0.039 0.000 1.037 1353 S CA 0.182 58.331 58.200 -0.085 0.000 1.009 1353 S CB -0.042 63.220 63.200 0.103 0.000 0.974 1353 S HN 0.422 nan 8.310 nan 0.000 0.544 1354 M N 2.070 121.635 119.600 -0.059 0.000 2.808 1354 M HA 0.154 4.634 4.480 -0.000 0.000 0.184 1354 M C 2.523 178.762 176.300 -0.101 0.000 1.446 1354 M CA 1.549 56.825 55.300 -0.039 0.000 1.397 1354 M CB -1.575 31.027 32.600 0.003 0.000 0.918 1354 M HN 0.376 nan 8.290 nan 0.000 0.515 1355 T N -1.425 113.052 114.554 -0.128 0.000 2.777 1355 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 1355 T C 1.190 175.582 174.700 -0.513 0.000 1.040 1355 T CA 1.591 63.519 62.100 -0.286 0.000 1.141 1355 T CB -0.695 67.993 68.868 -0.299 0.000 0.868 1355 T HN 0.472 nan 8.240 nan 0.000 0.444 1356 H N 0.219 119.145 119.070 -0.240 0.000 2.542 1356 H HA 0.514 5.070 4.556 -0.000 0.000 0.283 1356 H C 2.119 177.273 175.328 -0.289 0.000 1.059 1356 H CA 0.234 56.050 56.048 -0.386 0.000 1.162 1356 H CB 0.250 29.905 29.762 -0.177 0.000 1.539 1356 H HN 0.357 nan 8.280 nan 0.000 0.543 1357 S N 0.437 116.056 115.700 -0.134 0.000 2.420 1357 S HA -0.243 4.227 4.470 -0.000 0.000 0.237 1357 S C 2.377 176.936 174.600 -0.068 0.000 1.023 1357 S CA 1.643 59.794 58.200 -0.081 0.000 0.991 1357 S CB -0.166 62.993 63.200 -0.068 0.000 0.792 1357 S HN 0.595 nan 8.310 nan 0.000 0.488 1358 S N -0.644 114.969 115.700 -0.145 0.000 2.414 1358 S HA 0.098 4.568 4.470 -0.000 0.000 0.227 1358 S C 0.830 175.477 174.600 0.079 0.000 1.022 1358 S CA -0.360 57.796 58.200 -0.073 0.000 0.958 1358 S CB -0.651 62.470 63.200 -0.131 0.000 0.797 1358 S HN 0.673 nan 8.310 nan 0.000 0.493 1359 Y N 1.288 121.597 120.300 0.015 0.000 2.385 1359 Y HA 0.272 4.822 4.550 -0.000 0.000 0.346 1359 Y C 1.434 177.331 175.900 -0.005 0.000 1.270 1359 Y CA -0.389 57.715 58.100 0.006 0.000 1.472 1359 Y CB 0.329 38.808 38.460 0.031 0.000 1.354 1359 Y HN 0.077 nan 8.280 nan 0.000 0.611 1360 T N 1.356 116.000 114.554 0.150 0.000 2.881 1360 T HA 0.148 4.498 4.350 -0.000 0.000 0.278 1360 T C -1.681 173.049 174.700 0.050 0.000 0.982 1360 T CA -2.140 59.997 62.100 0.062 0.000 0.989 1360 T CB 0.995 69.867 68.868 0.007 0.000 1.058 1360 T HN 0.351 nan 8.240 nan 0.000 0.529 1361 P HA -0.091 nan 4.420 nan 0.000 0.217 1361 P C 1.021 178.333 177.300 0.020 0.000 1.148 1361 P CA 1.282 64.400 63.100 0.030 0.000 0.828 1361 P CB 0.164 31.879 31.700 0.025 0.000 0.783 1362 E N -0.145 120.041 120.200 -0.024 0.000 2.015 1362 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 1362 E C 2.046 178.568 176.600 -0.130 0.000 0.991 1362 E CA 1.071 57.418 56.400 -0.089 0.000 0.802 1362 E CB -0.560 29.016 29.700 -0.206 0.000 0.759 1362 E HN 0.306 nan 8.360 nan 0.000 0.447 1363 E N 0.895 120.992 120.200 -0.172 0.000 2.049 1363 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 1363 E C 2.167 178.749 176.600 -0.029 0.000 1.007 1363 E CA 1.230 57.510 56.400 -0.201 0.000 0.809 1363 E CB -0.016 29.503 29.700 -0.301 0.000 0.749 1363 E HN 0.090 nan 8.360 nan 0.000 0.450 1364 R N -0.330 120.211 120.500 0.068 0.000 2.096 1364 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 1364 R C 2.294 178.626 176.300 0.054 0.000 1.139 1364 R CA 1.426 57.577 56.100 0.084 0.000 0.952 1364 R CB -0.367 29.972 30.300 0.063 0.000 0.854 1364 R HN 0.190 nan 8.270 nan 0.000 0.436 1365 A N -0.090 122.777 122.820 0.079 0.000 1.969 1365 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 1365 A C 1.354 179.006 177.584 0.113 0.000 1.169 1365 A CA 1.236 53.322 52.037 0.082 0.000 0.635 1365 A CB -0.476 18.585 19.000 0.103 0.000 0.810 1365 A HN 0.336 nan 8.150 nan 0.000 0.445 1366 H N -3.086 115.974 119.070 -0.017 0.000 2.562 1366 H HA 0.116 4.672 4.556 -0.000 0.000 0.272 1366 H C 0.896 176.255 175.328 0.051 0.000 1.019 1366 H CA 0.849 56.891 56.048 -0.010 0.000 1.160 1366 H CB -0.278 29.461 29.762 -0.039 0.000 1.334 1366 H HN 0.751 nan 8.280 nan 0.000 0.611 1367 Y N -2.018 118.245 120.300 -0.062 0.000 2.494 1367 Y HA 0.270 4.820 4.550 -0.000 0.000 0.271 1367 Y C 1.405 177.192 175.900 -0.189 0.000 1.113 1367 Y CA 0.315 58.325 58.100 -0.151 0.000 1.240 1367 Y CB 1.395 39.753 38.460 -0.170 0.000 1.268 1367 Y HN 0.169 nan 8.280 nan 0.000 0.510 1368 G N 1.106 109.816 108.800 -0.149 0.000 2.164 1368 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.154 1368 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.154 1368 G C -0.619 174.167 174.900 -0.191 0.000 1.014 1368 G CA -0.110 44.858 45.100 -0.220 0.000 0.683 1368 G HN 0.060 nan 8.290 nan 0.000 0.500 1369 I N 1.975 122.449 120.570 -0.159 0.000 2.321 1369 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 1369 I C 0.763 176.837 176.117 -0.071 0.000 0.998 1369 I CA -0.810 60.401 61.300 -0.148 0.000 1.227 1369 I CB 0.934 38.775 38.000 -0.265 0.000 1.368 1369 I HN 0.040 nan 8.210 nan 0.000 0.466 1370 S N 3.467 119.144 115.700 -0.039 0.000 2.601 1370 S HA 0.133 4.603 4.470 -0.000 0.000 0.271 1370 S C 1.191 175.801 174.600 0.016 0.000 1.305 1370 S CA -0.269 57.931 58.200 0.000 0.000 1.022 1370 S CB 1.111 64.326 63.200 0.025 0.000 0.940 1370 S HN 0.578 nan 8.310 nan 0.000 0.525 1371 E N 1.888 122.111 120.200 0.037 0.000 2.268 1371 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 1371 E C 1.203 177.902 176.600 0.165 0.000 0.995 1371 E CA 0.951 57.391 56.400 0.066 0.000 0.836 1371 E CB -0.046 29.688 29.700 0.057 0.000 0.763 1371 E HN 0.687 nan 8.360 nan 0.000 0.491 1372 G N -0.514 108.368 108.800 0.136 0.000 4.238 1372 G HA2 0.138 4.098 3.960 -0.000 0.000 0.292 1372 G HA3 0.138 4.098 3.960 -0.000 0.000 0.292 1372 G C -0.560 174.351 174.900 0.018 0.000 1.036 1372 G CA -0.434 44.742 45.100 0.127 0.000 0.812 1372 G HN 0.080 nan 8.290 nan 0.000 0.489 1373 L N 2.340 123.612 121.223 0.083 0.000 2.290 1373 L HA 0.709 5.049 4.340 -0.000 0.000 0.284 1373 L C -0.286 176.587 176.870 0.006 0.000 1.078 1373 L CA -0.467 54.366 54.840 -0.012 0.000 0.815 1373 L CB 1.198 43.280 42.059 0.038 0.000 1.162 1373 L HN 0.025 nan 8.230 nan 0.000 0.435 1374 V N 5.935 125.659 119.914 -0.316 0.000 2.656 1374 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 1374 V C -0.603 175.370 176.094 -0.201 0.000 1.051 1374 V CA -0.910 61.238 62.300 -0.253 0.000 0.893 1374 V CB 2.118 33.658 31.823 -0.471 0.000 0.999 1374 V HN 0.928 nan 8.190 nan 0.000 0.426 1375 R N 4.075 124.595 120.500 0.033 0.000 2.460 1375 R HA 0.666 5.006 4.340 -0.000 0.000 0.303 1375 R C -1.838 174.582 176.300 0.201 0.000 0.968 1375 R CA -0.767 55.414 56.100 0.134 0.000 0.889 1375 R CB 1.693 32.093 30.300 0.167 0.000 1.123 1375 R HN 0.708 nan 8.270 nan 0.000 0.455 1376 L N 1.696 123.078 121.223 0.264 0.000 2.341 1376 L HA 0.312 4.651 4.340 -0.000 0.000 0.278 1376 L C -0.113 176.961 176.870 0.340 0.000 1.005 1376 L CA -0.089 54.967 54.840 0.360 0.000 0.818 1376 L CB 1.826 44.097 42.059 0.353 0.000 1.259 1376 L HN 0.494 nan 8.230 nan 0.000 0.418 1377 S N 3.222 119.131 115.700 0.348 0.000 2.461 1377 S HA 0.527 4.997 4.470 -0.000 0.000 0.322 1377 S C -0.490 174.230 174.600 0.201 0.000 1.063 1377 S CA -0.560 57.750 58.200 0.183 0.000 1.120 1377 S CB 0.367 63.594 63.200 0.045 0.000 0.968 1377 S HN 0.296 nan 8.310 nan 0.000 0.467 1378 V N 5.928 125.987 119.914 0.241 0.000 2.470 1378 V HA 0.398 4.518 4.120 -0.000 0.000 0.276 1378 V C 1.507 177.701 176.094 0.166 0.000 1.040 1378 V CA 0.118 62.530 62.300 0.188 0.000 1.008 1378 V CB 0.438 32.388 31.823 0.212 0.000 0.990 1378 V HN 0.920 nan 8.190 nan 0.000 0.477 1379 G N 3.717 112.474 108.800 -0.073 0.000 2.494 1379 G HA2 0.413 4.373 3.960 -0.000 0.000 0.270 1379 G HA3 0.413 4.373 3.960 -0.000 0.000 0.270 1379 G C 0.413 175.144 174.900 -0.281 0.000 1.423 1379 G CA -0.716 44.317 45.100 -0.111 0.000 1.055 1379 G HN 0.660 nan 8.290 nan 0.000 0.536 1380 L N -0.171 120.853 121.223 -0.331 0.000 2.700 1380 L HA 0.258 4.598 4.340 -0.000 0.000 0.234 1380 L C 0.897 177.657 176.870 -0.184 0.000 1.156 1380 L CA -0.099 54.552 54.840 -0.316 0.000 0.946 1380 L CB -0.154 41.708 42.059 -0.328 0.000 1.216 1380 L HN 0.387 nan 8.230 nan 0.000 0.493 1381 E N 0.080 120.183 120.200 -0.162 0.000 3.368 1381 E HA -0.026 4.324 4.350 -0.000 0.000 0.320 1381 E C 0.146 176.689 176.600 -0.094 0.000 1.507 1381 E CA 0.104 56.433 56.400 -0.119 0.000 1.600 1381 E CB 0.295 29.921 29.700 -0.123 0.000 1.117 1381 E HN -0.002 nan 8.360 nan 0.000 0.726 1382 D N 0.115 120.471 120.400 -0.072 0.000 2.277 1382 D HA 0.015 4.655 4.640 -0.000 0.000 0.249 1382 D C 0.817 177.085 176.300 -0.053 0.000 1.134 1382 D CA -0.223 53.743 54.000 -0.057 0.000 0.863 1382 D CB 1.025 41.797 40.800 -0.046 0.000 1.143 1382 D HN 0.245 nan 8.370 nan 0.000 0.458 1383 I N 3.921 124.462 120.570 -0.049 0.000 2.194 1383 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 1383 I C 1.454 177.534 176.117 -0.062 0.000 1.093 1383 I CA 1.631 62.901 61.300 -0.049 0.000 1.355 1383 I CB -0.042 37.932 38.000 -0.042 0.000 1.046 1383 I HN 0.402 nan 8.210 nan 0.000 0.413 1384 D N 0.433 120.799 120.400 -0.055 0.000 2.144 1384 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 1384 D C 1.769 178.030 176.300 -0.064 0.000 0.984 1384 D CA 1.321 55.284 54.000 -0.062 0.000 0.834 1384 D CB -0.357 40.418 40.800 -0.043 0.000 0.955 1384 D HN 0.420 nan 8.370 nan 0.000 0.465 1385 D N 0.143 120.514 120.400 -0.049 0.000 2.183 1385 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 1385 D C 2.354 178.638 176.300 -0.026 0.000 0.969 1385 D CA 0.276 54.253 54.000 -0.038 0.000 0.842 1385 D CB -0.081 40.698 40.800 -0.035 0.000 0.957 1385 D HN 0.243 nan 8.370 nan 0.000 0.484 1386 L N 0.108 121.319 121.223 -0.019 0.000 2.072 1386 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 1386 L C 2.486 179.335 176.870 -0.035 0.000 1.079 1386 L CA 0.456 55.327 54.840 0.053 0.000 0.752 1386 L CB -0.287 41.822 42.059 0.083 0.000 0.906 1386 L HN -0.000 nan 8.230 nan 0.000 0.436 1387 L N -0.166 120.958 121.223 -0.166 0.000 2.017 1387 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 1387 L C 2.911 179.575 176.870 -0.343 0.000 1.073 1387 L CA 1.320 55.911 54.840 -0.415 0.000 0.745 1387 L CB -0.785 41.007 42.059 -0.446 0.000 0.894 1387 L HN 0.236 nan 8.230 nan 0.000 0.432 1388 A N -0.289 122.425 122.820 -0.176 0.000 1.908 1388 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 1388 A C 1.982 179.527 177.584 -0.065 0.000 1.181 1388 A CA 2.210 54.187 52.037 -0.099 0.000 0.627 1388 A CB -0.647 18.319 19.000 -0.057 0.000 0.818 1388 A HN 0.428 nan 8.150 nan 0.000 0.445 1389 D N -0.444 119.930 120.400 -0.043 0.000 2.084 1389 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 1389 D C 1.938 178.202 176.300 -0.059 0.000 0.990 1389 D CA 1.663 55.651 54.000 -0.020 0.000 0.826 1389 D CB -0.189 40.655 40.800 0.072 0.000 0.971 1389 D HN 0.146 nan 8.370 nan 0.000 0.453 1390 V N 0.409 120.283 119.914 -0.067 0.000 2.343 1390 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 1390 V C 2.566 178.736 176.094 0.127 0.000 1.051 1390 V CA 2.095 64.400 62.300 0.007 0.000 1.036 1390 V CB -0.851 30.960 31.823 -0.019 0.000 0.654 1390 V HN 0.292 nan 8.190 nan 0.000 0.451 1391 Q N 1.351 121.173 119.800 0.037 0.000 2.014 1391 Q HA -0.340 4.000 4.340 -0.000 0.000 0.207 1391 Q C 2.249 178.327 176.000 0.130 0.000 0.993 1391 Q CA 2.917 58.819 55.803 0.165 0.000 0.850 1391 Q CB -0.366 28.424 28.738 0.086 0.000 0.916 1391 Q HN 0.838 nan 8.270 nan 0.000 0.417 1392 Q N -0.429 119.404 119.800 0.055 0.000 2.167 1392 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 1392 Q C 1.976 177.998 176.000 0.037 0.000 0.970 1392 Q CA 1.607 57.433 55.803 0.038 0.000 0.855 1392 Q CB -0.678 28.062 28.738 0.004 0.000 0.911 1392 Q HN 0.410 nan 8.270 nan 0.000 0.438 1393 A N 1.361 124.180 122.820 -0.003 0.000 1.877 1393 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 1393 A C 2.196 179.928 177.584 0.247 0.000 1.186 1393 A CA 1.392 53.382 52.037 -0.079 0.000 0.620 1393 A CB -0.875 17.762 19.000 -0.605 0.000 0.822 1393 A HN 0.403 nan 8.150 nan 0.000 0.443 1394 L N -0.559 120.917 121.223 0.421 0.000 2.079 1394 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 1394 L C 2.419 179.404 176.870 0.192 0.000 1.081 1394 L CA 1.365 56.427 54.840 0.371 0.000 0.752 1394 L CB -0.349 41.854 42.059 0.239 0.000 0.896 1394 L HN 0.243 nan 8.230 nan 0.000 0.433 1395 K N -0.015 120.469 120.400 0.140 0.000 2.103 1395 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 1395 K C 2.142 178.788 176.600 0.077 0.000 1.052 1395 K CA 1.319 57.657 56.287 0.086 0.000 0.945 1395 K CB -0.623 31.917 32.500 0.066 0.000 0.722 1395 K HN 0.242 nan 8.250 nan 0.000 0.443 1396 A N 1.803 124.671 122.820 0.081 0.000 2.070 1396 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 1396 A C 2.126 179.756 177.584 0.077 0.000 1.159 1396 A CA 1.807 53.880 52.037 0.060 0.000 0.656 1396 A CB -0.600 18.419 19.000 0.031 0.000 0.800 1396 A HN 0.401 nan 8.150 nan 0.000 0.453 1397 S N -0.504 115.269 115.700 0.121 0.000 2.603 1397 S HA 0.438 4.908 4.470 -0.000 0.000 0.229 1397 S C 0.957 175.597 174.600 0.067 0.000 0.972 1397 S CA 0.387 58.655 58.200 0.114 0.000 0.935 1397 S CB -0.676 62.618 63.200 0.158 0.000 0.769 1397 S HN 0.799 nan 8.310 nan 0.000 0.536 1398 A N 0.000 122.853 122.820 0.054 0.000 2.254 1398 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1398 A CA 0.000 52.059 52.037 0.036 0.000 0.836 1398 A CB 0.000 19.018 19.000 0.031 0.000 0.831 1398 A HN 0.000 nan 8.150 nan 0.000 0.486