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 1uiu_1_B DATA FIRST_RESID 1004 DATA SEQUENCE DEITTAWPVN VGPLNPHLYT PNQMFAQSMV YEPLVKYQAD GSVIPWLAKS DATA SEQUENCE WTHSEDGKTW TFTLRDDVKF SNGEPFDAEA AAENFRAVLD NRQRHAWLEL DATA SEQUENCE ANQIVDVKAL SKTELQITLK SAYYPFLQEL ALPRPFRFIA PSQFKNHETM DATA SEQUENCE NGIKAPIGTG PWILQESKLN QYDVFVRNEN YWGEKPAIKK ITFNVIPDPT DATA SEQUENCE TRAVAFETGD IDLLYGNEGL LPLDTFARFS QNPAYHTQLS QPIETVMLAL DATA SEQUENCE NTAKAPTNEL AVREALNYAV NKKSLIDNAL YGTQQVADTL FAPSVPYANL DATA SEQUENCE GLKPSQYDPQ KAKALLEKAG WTLPAGKDIR EKNGQPLRIE LSFIGTDALS DATA SEQUENCE KSMAEIIRAD MRQIGADVSL IGEEESSIYA RQRDGRFGMI FHRTWGAPYD DATA SEQUENCE PHAFLSSMRV PSHADFQAQQ GLADKPLIDK EIGEVLATHD ETQRQALYRD DATA SEQUENCE ILTRLHDEAV YLPISYISMM VVSKPELGNI PYAPIATEIP FEQIKP 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 1004 D HA 0.000 nan 4.640 nan 0.000 0.175 1004 D C 0.000 176.311 176.300 0.019 0.000 2.045 1004 D CA 0.000 54.010 54.000 0.017 0.000 0.868 1004 D CB 0.000 40.812 40.800 0.020 0.000 0.688 1005 E N 2.575 122.776 120.200 0.002 0.000 2.216 1005 E HA 0.566 4.917 4.350 0.002 0.000 0.279 1005 E C 0.360 176.930 176.600 -0.049 0.000 0.997 1005 E CA -0.828 55.563 56.400 -0.015 0.000 0.817 1005 E CB 2.067 31.759 29.700 -0.013 0.000 1.096 1005 E HN 0.474 nan 8.360 nan 0.000 0.393 1006 I N -0.956 119.556 120.570 -0.097 0.000 2.493 1006 I HA 0.529 4.700 4.170 0.002 0.000 0.298 1006 I C -0.257 175.739 176.117 -0.202 0.000 0.998 1006 I CA -0.733 60.488 61.300 -0.132 0.000 1.137 1006 I CB 2.255 40.177 38.000 -0.130 0.000 1.310 1006 I HN 0.396 nan 8.210 nan 0.000 0.445 1007 T N 3.302 117.760 114.554 -0.161 0.000 2.807 1007 T HA 0.752 5.103 4.350 0.002 0.000 0.279 1007 T C -0.070 174.537 174.700 -0.154 0.000 0.993 1007 T CA 0.131 62.124 62.100 -0.178 0.000 0.970 1007 T CB 1.352 70.153 68.868 -0.112 0.000 0.950 1007 T HN 1.018 nan 8.240 nan 0.000 0.441 1008 T N 1.585 116.001 114.554 -0.230 0.000 2.551 1008 T HA 0.940 5.291 4.350 0.002 0.000 0.249 1008 T C -0.243 174.467 174.700 0.018 0.000 0.851 1008 T CA -0.497 61.544 62.100 -0.097 0.000 1.149 1008 T CB 1.079 69.870 68.868 -0.128 0.000 1.456 1008 T HN 1.315 nan 8.240 nan 0.000 0.514 1009 A N -1.108 121.820 122.820 0.179 0.000 2.610 1009 A HA 0.680 5.001 4.320 0.002 0.000 0.291 1009 A C -2.102 175.820 177.584 0.563 0.000 1.086 1009 A CA -0.935 51.295 52.037 0.322 0.000 0.677 1009 A CB 1.140 20.266 19.000 0.209 0.000 1.278 1009 A HN 0.844 nan 8.150 nan 0.000 0.414 1010 W N 1.014 122.429 121.300 0.192 0.000 3.029 1010 W HA 0.448 5.109 4.660 0.002 0.000 0.339 1010 W C -2.064 174.510 176.519 0.093 0.000 1.198 1010 W CA -2.133 55.281 57.345 0.115 0.000 1.148 1010 W CB 2.444 31.995 29.460 0.151 0.000 1.451 1010 W HN 0.583 nan 8.180 nan 0.000 0.564 1011 P HA -0.031 nan 4.420 nan 0.000 0.229 1011 P C -0.048 177.259 177.300 0.012 0.000 1.160 1011 P CA 1.015 64.036 63.100 -0.132 0.000 0.777 1011 P CB 1.370 32.895 31.700 -0.291 0.000 0.814 1012 V N -0.839 119.156 119.914 0.135 0.000 3.232 1012 V HA 0.289 4.410 4.120 0.002 0.000 0.303 1012 V C -0.848 175.433 176.094 0.312 0.000 1.311 1012 V CA -1.192 61.220 62.300 0.186 0.000 1.061 1012 V CB 2.187 34.079 31.823 0.114 0.000 1.085 1012 V HN -0.143 nan 8.190 nan 0.000 0.447 1013 N N 0.912 119.733 118.700 0.202 0.000 2.381 1013 N HA 0.086 4.828 4.740 0.002 0.000 0.241 1013 N C 0.829 176.431 175.510 0.153 0.000 1.279 1013 N CA 0.315 53.462 53.050 0.162 0.000 0.896 1013 N CB 1.609 40.143 38.487 0.077 0.000 1.118 1013 N HN 0.498 nan 8.380 nan 0.000 0.438 1014 V N 0.949 120.900 119.914 0.061 0.000 2.515 1014 V HA -0.080 4.041 4.120 0.002 0.000 0.250 1014 V C 1.310 177.369 176.094 -0.057 0.000 1.058 1014 V CA 1.876 64.140 62.300 -0.060 0.000 1.064 1014 V CB -1.176 30.576 31.823 -0.117 0.000 0.675 1014 V HN 1.061 nan 8.190 nan 0.000 0.461 1015 G N -0.371 108.412 108.800 -0.028 0.000 2.660 1015 G HA2 -0.142 3.820 3.960 0.002 0.000 0.247 1015 G HA3 -0.142 3.820 3.960 0.002 0.000 0.247 1015 G C -1.654 173.214 174.900 -0.053 0.000 1.328 1015 G CA -0.079 45.001 45.100 -0.034 0.000 0.884 1015 G HN 0.172 nan 8.290 nan 0.000 0.531 1016 P HA 0.145 nan 4.420 nan 0.000 0.229 1016 P C 1.135 178.416 177.300 -0.031 0.000 1.160 1016 P CA 1.197 64.269 63.100 -0.046 0.000 0.777 1016 P CB 0.041 31.716 31.700 -0.043 0.000 0.814 1017 L N -1.254 119.954 121.223 -0.024 0.000 3.472 1017 L HA -0.146 4.196 4.340 0.002 0.000 0.485 1017 L C 0.108 177.015 176.870 0.062 0.000 1.312 1017 L CA -0.319 54.550 54.840 0.048 0.000 0.869 1017 L CB -2.467 39.641 42.059 0.081 0.000 1.687 1017 L HN 0.177 nan 8.230 nan 0.000 0.853 1018 N N 2.737 121.386 118.700 -0.084 0.000 2.416 1018 N HA 0.126 4.867 4.740 0.002 0.000 0.265 1018 N C -0.945 174.329 175.510 -0.394 0.000 1.195 1018 N CA -1.269 51.639 53.050 -0.236 0.000 0.943 1018 N CB 1.101 39.470 38.487 -0.197 0.000 1.115 1018 N HN 0.178 nan 8.380 nan 0.000 0.481 1019 P HA -0.063 nan 4.420 nan 0.000 0.234 1019 P C 0.028 176.988 177.300 -0.567 0.000 1.167 1019 P CA 1.183 63.731 63.100 -0.920 0.000 0.763 1019 P CB 0.287 31.009 31.700 -1.629 0.000 0.835 1020 H N -2.249 116.577 119.070 -0.407 0.000 3.046 1020 H HA 0.350 4.907 4.556 0.002 0.000 0.262 1020 H C 1.057 176.206 175.328 -0.299 0.000 1.044 1020 H CA -0.364 55.484 56.048 -0.334 0.000 1.209 1020 H CB 0.274 29.876 29.762 -0.266 0.000 1.507 1020 H HN 0.136 nan 8.280 nan 0.000 0.507 1021 L N -0.355 120.718 121.223 -0.251 0.000 2.347 1021 L HA 0.249 4.590 4.340 0.002 0.000 0.268 1021 L C 0.543 177.145 176.870 -0.447 0.000 1.019 1021 L CA -0.802 53.885 54.840 -0.256 0.000 0.806 1021 L CB 1.230 43.240 42.059 -0.081 0.000 1.339 1021 L HN -0.083 nan 8.230 nan 0.000 0.463 1022 Y N -1.090 119.169 120.300 -0.068 0.000 2.781 1022 Y HA 0.157 4.709 4.550 0.002 0.000 0.182 1022 Y C 1.134 176.985 175.900 -0.081 0.000 0.949 1022 Y CA -0.177 57.871 58.100 -0.087 0.000 1.525 1022 Y CB -0.577 37.800 38.460 -0.139 0.000 1.138 1022 Y HN 0.488 nan 8.280 nan 0.000 0.454 1023 T N 1.286 115.897 114.554 0.096 0.000 2.918 1023 T HA 0.150 4.502 4.350 0.002 0.000 0.302 1023 T C -1.886 172.817 174.700 0.004 0.000 1.045 1023 T CA -1.329 60.783 62.100 0.020 0.000 1.114 1023 T CB 1.034 69.891 68.868 -0.018 0.000 0.965 1023 T HN 0.222 nan 8.240 nan 0.000 0.540 1024 P HA 0.104 nan 4.420 nan 0.000 0.257 1024 P C -0.349 176.957 177.300 0.010 0.000 1.281 1024 P CA -0.407 62.696 63.100 0.005 0.000 0.826 1024 P CB 0.096 31.798 31.700 0.004 0.000 1.237 1025 N N 2.020 120.710 118.700 -0.017 0.000 2.356 1025 N HA -0.011 4.730 4.740 0.002 0.000 0.252 1025 N C 0.238 175.729 175.510 -0.031 0.000 1.241 1025 N CA 0.511 53.534 53.050 -0.045 0.000 0.861 1025 N CB 0.459 38.896 38.487 -0.083 0.000 1.075 1025 N HN 0.179 nan 8.380 nan 0.000 0.461 1026 Q N 2.406 122.157 119.800 -0.082 0.000 2.331 1026 Q HA 0.222 4.563 4.340 0.002 0.000 0.257 1026 Q C 1.229 177.094 176.000 -0.225 0.000 0.957 1026 Q CA -0.277 55.491 55.803 -0.058 0.000 0.923 1026 Q CB 1.661 30.378 28.738 -0.035 0.000 1.212 1026 Q HN 0.578 nan 8.270 nan 0.000 0.443 1027 M N 1.731 121.317 119.600 -0.023 0.000 2.082 1027 M HA -0.236 4.245 4.480 0.002 0.000 0.258 1027 M C 1.608 177.840 176.300 -0.112 0.000 1.069 1027 M CA 2.013 57.297 55.300 -0.027 0.000 1.102 1027 M CB -0.458 32.195 32.600 0.089 0.000 1.336 1027 M HN 0.664 nan 8.290 nan 0.000 0.404 1028 F N 0.018 119.881 119.950 -0.146 0.000 2.161 1028 F HA -0.046 4.482 4.527 0.002 0.000 0.300 1028 F C 2.256 177.894 175.800 -0.270 0.000 1.089 1028 F CA 0.993 58.852 58.000 -0.235 0.000 1.282 1028 F CB -1.400 37.364 39.000 -0.393 0.000 1.010 1028 F HN 0.022 nan 8.300 nan 0.000 0.485 1029 A N 0.491 122.361 122.820 -1.583 0.000 1.854 1029 A HA -0.166 4.155 4.320 0.002 0.000 0.214 1029 A C 2.255 179.555 177.584 -0.474 0.000 1.192 1029 A CA 1.533 52.838 52.037 -1.220 0.000 0.611 1029 A CB -1.117 17.128 19.000 -1.260 0.000 0.832 1029 A HN 0.549 nan 8.150 nan 0.000 0.442 1030 Q N -0.279 119.338 119.800 -0.305 0.000 2.133 1030 Q HA -0.173 4.168 4.340 0.002 0.000 0.208 1030 Q C 2.297 178.314 176.000 0.030 0.000 0.991 1030 Q CA 1.959 57.758 55.803 -0.007 0.000 0.867 1030 Q CB -0.224 28.515 28.738 0.002 0.000 0.911 1030 Q HN 0.605 nan 8.270 nan 0.000 0.417 1031 S N -0.406 115.256 115.700 -0.063 0.000 2.481 1031 S HA -0.003 4.468 4.470 0.002 0.000 0.231 1031 S C 1.616 176.223 174.600 0.012 0.000 0.996 1031 S CA 0.660 58.857 58.200 -0.004 0.000 0.942 1031 S CB 0.036 63.227 63.200 -0.015 0.000 0.768 1031 S HN 0.323 nan 8.310 nan 0.000 0.520 1032 M N -0.223 119.343 119.600 -0.056 0.000 2.287 1032 M HA 0.029 4.510 4.480 0.002 0.000 0.266 1032 M C 1.784 178.150 176.300 0.109 0.000 1.079 1032 M CA 0.973 56.309 55.300 0.060 0.000 1.146 1032 M CB -0.050 32.429 32.600 -0.202 0.000 1.374 1032 M HN 0.146 nan 8.290 nan 0.000 0.435 1033 V N -1.415 118.457 119.914 -0.070 0.000 2.500 1033 V HA -0.054 4.067 4.120 0.002 0.000 0.243 1033 V C 0.371 176.271 176.094 -0.323 0.000 1.039 1033 V CA 0.888 63.026 62.300 -0.269 0.000 1.053 1033 V CB -0.311 31.160 31.823 -0.588 0.000 0.695 1033 V HN 0.229 nan 8.190 nan 0.000 0.463 1034 Y N -0.236 120.139 120.300 0.125 0.000 2.487 1034 Y HA 0.661 5.212 4.550 0.002 0.000 0.337 1034 Y C 0.152 176.145 175.900 0.155 0.000 1.076 1034 Y CA -0.899 57.283 58.100 0.138 0.000 1.115 1034 Y CB 1.354 39.843 38.460 0.049 0.000 1.235 1034 Y HN 0.067 nan 8.280 nan 0.000 0.468 1035 E N 3.016 123.454 120.200 0.397 0.000 2.312 1035 E HA 0.402 4.754 4.350 0.002 0.000 0.267 1035 E C -2.746 174.057 176.600 0.338 0.000 0.894 1035 E CA -2.346 54.280 56.400 0.377 0.000 0.773 1035 E CB 2.557 32.639 29.700 0.636 0.000 1.241 1035 E HN 0.262 nan 8.360 nan 0.000 0.432 1036 P HA 0.180 nan 4.420 nan 0.000 0.280 1036 P C 0.364 177.911 177.300 0.412 0.000 1.272 1036 P CA -0.365 62.880 63.100 0.240 0.000 0.819 1036 P CB 1.235 32.975 31.700 0.067 0.000 1.122 1037 L N -0.536 120.888 121.223 0.335 0.000 2.156 1037 L HA 0.062 4.403 4.340 0.002 0.000 0.208 1037 L C 1.388 178.406 176.870 0.247 0.000 1.095 1037 L CA 1.221 56.199 54.840 0.229 0.000 0.770 1037 L CB -0.194 41.841 42.059 -0.040 0.000 0.914 1037 L HN 0.166 nan 8.230 nan 0.000 0.439 1038 V N -0.454 119.540 119.914 0.134 0.000 2.962 1038 V HA 0.408 4.530 4.120 0.002 0.000 0.313 1038 V C -1.066 175.089 176.094 0.102 0.000 1.099 1038 V CA -0.777 61.605 62.300 0.136 0.000 0.971 1038 V CB 2.572 34.290 31.823 -0.175 0.000 1.028 1038 V HN 0.047 nan 8.190 nan 0.000 0.430 1039 K N 3.669 124.147 120.400 0.130 0.000 2.426 1039 K HA 0.386 4.707 4.320 0.002 0.000 0.254 1039 K C -1.622 175.009 176.600 0.051 0.000 0.936 1039 K CA -0.612 55.657 56.287 -0.030 0.000 0.801 1039 K CB 1.603 33.892 32.500 -0.352 0.000 1.139 1039 K HN 0.709 nan 8.250 nan 0.000 0.424 1040 Y N 2.907 123.161 120.300 -0.076 0.000 2.497 1040 Y HA 0.011 4.562 4.550 0.002 0.000 0.334 1040 Y C -0.223 175.670 175.900 -0.012 0.000 1.199 1040 Y CA 0.722 58.801 58.100 -0.035 0.000 1.425 1040 Y CB 0.772 39.205 38.460 -0.044 0.000 1.291 1040 Y HN 0.463 nan 8.280 nan 0.000 0.562 1041 Q N 4.050 123.448 119.800 -0.669 0.000 2.345 1041 Q HA 0.457 4.798 4.340 0.002 0.000 0.268 1041 Q C 0.740 176.365 176.000 -0.626 0.000 1.054 1041 Q CA -0.003 55.530 55.803 -0.450 0.000 0.835 1041 Q CB 2.024 30.617 28.738 -0.242 0.000 1.339 1041 Q HN 0.944 nan 8.270 nan 0.000 0.447 1042 A N 2.576 125.243 122.820 -0.255 0.000 1.884 1042 A HA -0.279 4.042 4.320 0.002 0.000 0.219 1042 A C 1.246 178.728 177.584 -0.170 0.000 1.197 1042 A CA 2.648 54.602 52.037 -0.139 0.000 0.637 1042 A CB -0.811 18.175 19.000 -0.024 0.000 0.827 1042 A HN 0.897 nan 8.150 nan 0.000 0.450 1043 D N -2.350 117.955 120.400 -0.158 0.000 2.403 1043 D HA 0.284 4.925 4.640 0.002 0.000 0.227 1043 D C 1.068 177.286 176.300 -0.136 0.000 0.995 1043 D CA 1.153 55.083 54.000 -0.116 0.000 0.928 1043 D CB -0.510 40.245 40.800 -0.074 0.000 0.887 1043 D HN 0.994 nan 8.370 nan 0.000 0.529 1044 G N -0.884 107.763 108.800 -0.254 0.000 2.144 1044 G HA2 -0.228 3.733 3.960 0.002 0.000 0.218 1044 G HA3 -0.228 3.733 3.960 0.002 0.000 0.218 1044 G C 0.348 175.203 174.900 -0.076 0.000 0.988 1044 G CA 0.276 45.300 45.100 -0.128 0.000 0.659 1044 G HN 0.873 nan 8.290 nan 0.000 0.522 1045 S N -1.751 113.820 115.700 -0.215 0.000 2.801 1045 S HA 0.890 5.361 4.470 0.002 0.000 0.312 1045 S C -0.372 174.201 174.600 -0.045 0.000 1.112 1045 S CA -0.319 57.858 58.200 -0.039 0.000 0.943 1045 S CB 2.876 66.078 63.200 0.003 0.000 1.269 1045 S HN 1.163 nan 8.310 nan 0.000 0.558 1046 V N 0.851 120.816 119.914 0.084 0.000 2.914 1046 V HA 0.737 4.858 4.120 0.002 0.000 0.314 1046 V C -0.769 175.462 176.094 0.228 0.000 1.084 1046 V CA -0.810 61.569 62.300 0.132 0.000 0.963 1046 V CB 1.652 33.542 31.823 0.111 0.000 1.025 1046 V HN 0.975 nan 8.190 nan 0.000 0.432 1047 I N 2.342 123.073 120.570 0.269 0.000 3.042 1047 I HA 0.773 4.944 4.170 0.002 0.000 0.310 1047 I C -2.869 173.570 176.117 0.538 0.000 1.117 1047 I CA -2.878 58.645 61.300 0.372 0.000 1.003 1047 I CB 2.525 40.690 38.000 0.274 0.000 1.228 1047 I HN 0.364 nan 8.210 nan 0.000 0.443 1048 P HA 0.066 nan 4.420 nan 0.000 0.271 1048 P C -1.065 176.599 177.300 0.608 0.000 1.216 1048 P CA 0.071 63.544 63.100 0.621 0.000 0.771 1048 P CB 0.489 32.395 31.700 0.343 0.000 0.864 1049 W N 3.488 124.976 121.300 0.314 0.000 4.471 1049 W HA 0.182 4.844 4.660 0.002 0.000 0.614 1049 W C 1.303 177.872 176.519 0.082 0.000 3.461 1049 W CA -0.056 57.461 57.345 0.286 0.000 1.139 1049 W CB -0.339 29.288 29.460 0.278 0.000 2.127 1049 W HN 0.005 nan 8.180 nan 0.000 0.353 1050 L N 1.657 122.943 121.223 0.105 0.000 2.265 1050 L HA -0.019 4.322 4.340 0.002 0.000 0.215 1050 L C 0.948 177.793 176.870 -0.041 0.000 1.117 1050 L CA 0.844 55.527 54.840 -0.262 0.000 0.782 1050 L CB -0.899 40.997 42.059 -0.272 0.000 0.914 1050 L HN 0.037 nan 8.230 nan 0.000 0.441 1051 A N -0.475 122.455 122.820 0.183 0.000 2.276 1051 A HA 0.224 4.545 4.320 0.002 0.000 0.316 1051 A C 1.014 178.802 177.584 0.340 0.000 1.229 1051 A CA -0.529 51.696 52.037 0.314 0.000 0.851 1051 A CB 1.058 20.381 19.000 0.538 0.000 1.165 1051 A HN 0.046 nan 8.150 nan 0.000 0.513 1052 K N 0.964 121.483 120.400 0.199 0.000 2.167 1052 K HA 0.004 4.325 4.320 0.002 0.000 0.203 1052 K C 0.629 177.268 176.600 0.064 0.000 1.052 1052 K CA 1.472 57.822 56.287 0.105 0.000 0.956 1052 K CB 0.002 32.511 32.500 0.016 0.000 0.735 1052 K HN 0.925 nan 8.250 nan 0.000 0.451 1053 S N -1.890 113.873 115.700 0.104 0.000 2.683 1053 S HA 0.495 4.966 4.470 0.002 0.000 0.269 1053 S C -2.074 172.603 174.600 0.128 0.000 1.165 1053 S CA -1.092 56.975 58.200 -0.223 0.000 0.840 1053 S CB 0.530 63.519 63.200 -0.352 0.000 1.169 1053 S HN 0.319 nan 8.310 nan 0.000 0.490 1054 W N 0.086 121.407 121.300 0.034 0.000 3.217 1054 W HA 0.700 5.361 4.660 0.002 0.000 0.323 1054 W C -0.734 175.760 176.519 -0.042 0.000 1.216 1054 W CA -0.424 56.874 57.345 -0.078 0.000 1.194 1054 W CB 0.736 30.005 29.460 -0.318 0.000 1.397 1054 W HN 0.913 nan 8.180 nan 0.000 0.537 1055 T N -1.720 112.906 114.554 0.120 0.000 2.829 1055 T HA 0.307 4.658 4.350 0.002 0.000 0.282 1055 T C 0.388 175.073 174.700 -0.025 0.000 0.990 1055 T CA -0.112 62.002 62.100 0.023 0.000 1.028 1055 T CB 1.330 70.190 68.868 -0.012 0.000 0.951 1055 T HN 0.738 nan 8.240 nan 0.000 0.460 1056 H N 2.745 121.664 119.070 -0.252 0.000 2.419 1056 H HA 0.006 4.564 4.556 0.002 0.000 0.297 1056 H C 0.409 175.364 175.328 -0.621 0.000 1.044 1056 H CA 1.181 56.888 56.048 -0.569 0.000 1.178 1056 H CB -0.151 29.399 29.762 -0.353 0.000 1.407 1056 H HN 0.780 nan 8.280 nan 0.000 0.574 1057 S N -0.206 115.335 115.700 -0.264 0.000 3.947 1057 S HA -0.107 4.364 4.470 0.002 0.000 0.616 1057 S C 0.534 174.929 174.600 -0.342 0.000 0.658 1057 S CA 0.517 58.553 58.200 -0.273 0.000 1.393 1057 S CB -1.075 61.981 63.200 -0.241 0.000 0.805 1057 S HN 0.616 nan 8.310 nan 0.000 0.829 1058 E N 0.600 120.637 120.200 -0.272 0.000 2.449 1058 E HA -0.264 4.087 4.350 0.002 0.000 0.206 1058 E C 1.482 177.918 176.600 -0.274 0.000 1.064 1058 E CA 0.972 57.198 56.400 -0.290 0.000 0.875 1058 E CB 0.039 29.643 29.700 -0.161 0.000 0.796 1058 E HN 0.569 nan 8.360 nan 0.000 0.550 1059 D N -0.801 119.458 120.400 -0.235 0.000 2.263 1059 D HA -0.112 4.529 4.640 0.002 0.000 0.208 1059 D C 1.454 177.615 176.300 -0.232 0.000 0.971 1059 D CA 1.216 55.104 54.000 -0.186 0.000 0.867 1059 D CB -0.153 40.563 40.800 -0.140 0.000 0.929 1059 D HN 0.394 nan 8.370 nan 0.000 0.492 1060 G N 0.618 109.186 108.800 -0.387 0.000 2.175 1060 G HA2 -0.357 3.604 3.960 0.002 0.000 0.265 1060 G HA3 -0.357 3.604 3.960 0.002 0.000 0.265 1060 G C 1.275 176.076 174.900 -0.166 0.000 0.979 1060 G CA 0.806 45.664 45.100 -0.405 0.000 0.663 1060 G HN 0.367 nan 8.290 nan 0.000 0.533 1061 K N -0.653 119.648 120.400 -0.165 0.000 2.308 1061 K HA 0.119 4.440 4.320 0.002 0.000 0.197 1061 K C 1.003 177.581 176.600 -0.036 0.000 1.049 1061 K CA 1.068 57.320 56.287 -0.058 0.000 0.991 1061 K CB 0.549 33.014 32.500 -0.058 0.000 0.836 1061 K HN 0.391 nan 8.250 nan 0.000 0.500 1062 T N 0.037 114.512 114.554 -0.131 0.000 2.815 1062 T HA 0.412 4.763 4.350 0.002 0.000 0.289 1062 T C -1.774 172.862 174.700 -0.106 0.000 1.000 1062 T CA -0.730 61.336 62.100 -0.057 0.000 0.958 1062 T CB 0.352 69.181 68.868 -0.064 0.000 0.944 1062 T HN 0.036 nan 8.240 nan 0.000 0.442 1063 W N 2.923 124.206 121.300 -0.029 0.000 2.632 1063 W HA 0.547 5.209 4.660 0.002 0.000 0.328 1063 W C -0.162 176.377 176.519 0.032 0.000 1.044 1063 W CA -0.655 56.693 57.345 0.005 0.000 1.225 1063 W CB 2.042 31.560 29.460 0.096 0.000 1.396 1063 W HN 0.504 nan 8.180 nan 0.000 0.499 1064 T N 3.547 118.200 114.554 0.165 0.000 2.842 1064 T HA 0.412 4.763 4.350 0.002 0.000 0.308 1064 T C -0.932 173.853 174.700 0.141 0.000 1.041 1064 T CA -0.564 61.634 62.100 0.163 0.000 0.964 1064 T CB -0.045 68.882 68.868 0.099 0.000 0.972 1064 T HN -0.011 nan 8.240 nan 0.000 0.460 1065 F N 2.161 122.296 119.950 0.309 0.000 2.411 1065 F HA 0.303 4.831 4.527 0.002 0.000 0.355 1065 F C 1.231 177.161 175.800 0.217 0.000 1.117 1065 F CA -0.722 57.477 58.000 0.332 0.000 1.139 1065 F CB 0.963 40.134 39.000 0.286 0.000 1.120 1065 F HN 0.339 nan 8.300 nan 0.000 0.493 1066 T N 5.699 120.460 114.554 0.346 0.000 2.997 1066 T HA 0.311 4.663 4.350 0.002 0.000 0.311 1066 T C 0.376 175.187 174.700 0.185 0.000 1.079 1066 T CA -0.512 61.705 62.100 0.196 0.000 0.982 1066 T CB -0.323 68.609 68.868 0.106 0.000 1.032 1066 T HN 0.272 nan 8.240 nan 0.000 0.581 1067 L N 2.594 123.903 121.223 0.142 0.000 2.461 1067 L HA 0.286 4.628 4.340 0.002 0.000 0.272 1067 L C 1.231 178.103 176.870 0.003 0.000 1.197 1067 L CA -0.476 54.413 54.840 0.081 0.000 0.836 1067 L CB 0.284 42.344 42.059 0.000 0.000 1.105 1067 L HN 0.467 nan 8.230 nan 0.000 0.477 1068 R N 0.864 121.333 120.500 -0.050 0.000 2.640 1068 R HA -0.069 4.273 4.340 0.002 0.000 0.270 1068 R C 0.680 176.908 176.300 -0.121 0.000 1.024 1068 R CA 0.277 56.289 56.100 -0.145 0.000 1.085 1068 R CB 0.502 30.585 30.300 -0.362 0.000 0.963 1068 R HN 0.696 nan 8.270 nan 0.000 0.426 1069 D N 0.139 120.473 120.400 -0.109 0.000 2.262 1069 D HA -0.112 4.529 4.640 0.002 0.000 0.212 1069 D C 0.343 176.589 176.300 -0.090 0.000 0.964 1069 D CA 0.439 54.388 54.000 -0.085 0.000 0.875 1069 D CB -0.079 40.687 40.800 -0.058 0.000 0.996 1069 D HN 0.642 nan 8.370 nan 0.000 0.497 1070 D N 0.940 121.276 120.400 -0.106 0.000 2.400 1070 D HA 0.002 4.644 4.640 0.002 0.000 0.243 1070 D C 0.021 176.256 176.300 -0.108 0.000 1.184 1070 D CA -0.414 53.538 54.000 -0.080 0.000 0.853 1070 D CB -0.037 40.735 40.800 -0.046 0.000 0.944 1070 D HN 0.211 nan 8.370 nan 0.000 0.501 1071 V N -0.405 119.402 119.914 -0.179 0.000 2.435 1071 V HA 0.468 4.589 4.120 0.002 0.000 0.290 1071 V C -0.980 175.038 176.094 -0.127 0.000 1.030 1071 V CA -0.695 61.437 62.300 -0.280 0.000 0.881 1071 V CB 1.494 32.950 31.823 -0.611 0.000 0.983 1071 V HN 0.049 nan 8.190 nan 0.000 0.445 1072 K N 5.637 125.994 120.400 -0.072 0.000 2.468 1072 K HA 0.480 4.801 4.320 0.002 0.000 0.252 1072 K C -0.981 175.643 176.600 0.039 0.000 0.932 1072 K CA -0.512 55.785 56.287 0.016 0.000 0.794 1072 K CB 2.213 34.759 32.500 0.077 0.000 1.241 1072 K HN 0.596 nan 8.250 nan 0.000 0.428 1073 F N 0.646 120.688 119.950 0.154 0.000 2.587 1073 F HA -0.158 4.370 4.527 0.002 0.000 0.319 1073 F C 2.206 178.089 175.800 0.139 0.000 1.253 1073 F CA 0.755 58.854 58.000 0.165 0.000 1.345 1073 F CB 0.438 39.536 39.000 0.163 0.000 1.172 1073 F HN 0.646 nan 8.300 nan 0.000 0.588 1074 S N -0.207 115.708 115.700 0.359 0.000 2.489 1074 S HA -0.130 4.341 4.470 0.002 0.000 0.228 1074 S C 1.578 176.279 174.600 0.169 0.000 0.995 1074 S CA 0.871 59.199 58.200 0.213 0.000 0.934 1074 S CB -0.406 62.892 63.200 0.164 0.000 0.771 1074 S HN 0.647 nan 8.310 nan 0.000 0.522 1075 N N 1.424 120.242 118.700 0.197 0.000 2.381 1075 N HA 0.075 4.816 4.740 0.002 0.000 0.182 1075 N C 1.535 177.115 175.510 0.116 0.000 1.025 1075 N CA 1.216 54.341 53.050 0.125 0.000 0.888 1075 N CB -0.274 38.266 38.487 0.087 0.000 0.965 1075 N HN 0.731 nan 8.380 nan 0.000 0.438 1076 G N 0.393 109.285 108.800 0.153 0.000 2.345 1076 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 1076 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 1076 G C -0.043 174.944 174.900 0.145 0.000 1.058 1076 G CA 0.295 45.469 45.100 0.122 0.000 0.632 1076 G HN 0.580 nan 8.290 nan 0.000 0.508 1077 E N 2.879 123.178 120.200 0.165 0.000 2.413 1077 E HA 0.442 4.793 4.350 0.002 0.000 0.263 1077 E C -2.441 174.361 176.600 0.338 0.000 1.015 1077 E CA -1.195 55.314 56.400 0.181 0.000 0.916 1077 E CB 1.104 30.869 29.700 0.108 0.000 0.947 1077 E HN 0.351 nan 8.360 nan 0.000 0.440 1078 P HA 0.096 nan 4.420 nan 0.000 0.279 1078 P C -1.032 176.437 177.300 0.283 0.000 1.252 1078 P CA -0.582 62.640 63.100 0.204 0.000 0.811 1078 P CB 0.438 32.188 31.700 0.082 0.000 1.035 1079 F N 2.015 121.864 119.950 -0.168 0.000 2.467 1079 F HA 0.311 4.839 4.527 0.002 0.000 0.362 1079 F C -0.096 175.621 175.800 -0.137 0.000 1.090 1079 F CA 0.323 58.129 58.000 -0.323 0.000 1.202 1079 F CB 0.047 38.657 39.000 -0.650 0.000 1.113 1079 F HN 0.173 nan 8.300 nan 0.000 0.541 1080 D N 3.304 123.301 120.400 -0.671 0.000 2.350 1080 D HA 0.537 5.179 4.640 0.002 0.000 0.238 1080 D C 0.504 176.366 176.300 -0.731 0.000 0.989 1080 D CA -0.012 53.681 54.000 -0.512 0.000 0.921 1080 D CB 2.098 42.774 40.800 -0.207 0.000 1.297 1080 D HN 0.577 nan 8.370 nan 0.000 0.490 1081 A N 1.046 123.620 122.820 -0.410 0.000 2.067 1081 A HA -0.120 4.201 4.320 0.002 0.000 0.219 1081 A C 1.601 179.093 177.584 -0.153 0.000 1.158 1081 A CA 1.193 53.072 52.037 -0.263 0.000 0.661 1081 A CB -0.281 18.647 19.000 -0.120 0.000 0.801 1081 A HN 0.529 nan 8.150 nan 0.000 0.452 1082 E N -0.018 120.099 120.200 -0.138 0.000 2.046 1082 E HA -0.074 4.277 4.350 0.002 0.000 0.190 1082 E C 2.421 178.999 176.600 -0.038 0.000 0.982 1082 E CA 1.073 57.437 56.400 -0.060 0.000 0.800 1082 E CB -0.512 29.155 29.700 -0.054 0.000 0.756 1082 E HN 0.558 nan 8.360 nan 0.000 0.449 1083 A N 1.976 124.749 122.820 -0.078 0.000 1.908 1083 A HA -0.146 4.175 4.320 0.002 0.000 0.218 1083 A C 2.466 180.139 177.584 0.148 0.000 1.181 1083 A CA 2.151 54.209 52.037 0.036 0.000 0.627 1083 A CB -0.687 18.425 19.000 0.187 0.000 0.818 1083 A HN 0.270 nan 8.150 nan 0.000 0.445 1084 A N -0.020 122.769 122.820 -0.052 0.000 1.859 1084 A HA 0.050 4.372 4.320 0.002 0.000 0.217 1084 A C 2.542 180.386 177.584 0.432 0.000 1.198 1084 A CA 2.601 54.701 52.037 0.106 0.000 0.629 1084 A CB -1.232 17.682 19.000 -0.144 0.000 0.830 1084 A HN 1.227 nan 8.150 nan 0.000 0.446 1085 A N -0.492 122.500 122.820 0.285 0.000 2.019 1085 A HA -0.130 4.191 4.320 0.002 0.000 0.219 1085 A C 1.887 179.660 177.584 0.315 0.000 1.164 1085 A CA 1.633 53.859 52.037 0.314 0.000 0.644 1085 A CB -0.399 18.701 19.000 0.167 0.000 0.805 1085 A HN 0.592 nan 8.150 nan 0.000 0.449 1086 E N 0.427 120.786 120.200 0.265 0.000 2.046 1086 E HA -0.171 4.180 4.350 0.002 0.000 0.190 1086 E C 1.656 178.565 176.600 0.516 0.000 0.982 1086 E CA 1.365 57.939 56.400 0.290 0.000 0.800 1086 E CB -0.638 29.086 29.700 0.040 0.000 0.756 1086 E HN 0.751 nan 8.360 nan 0.000 0.449 1087 N N 0.534 119.571 118.700 0.561 0.000 2.036 1087 N HA -0.154 4.588 4.740 0.002 0.000 0.195 1087 N C 1.657 177.223 175.510 0.093 0.000 1.037 1087 N CA 1.283 54.604 53.050 0.450 0.000 0.855 1087 N CB -0.315 38.475 38.487 0.506 0.000 1.033 1087 N HN 0.009 nan 8.380 nan 0.000 0.423 1088 F N 1.160 121.250 119.950 0.232 0.000 2.216 1088 F HA -0.016 4.512 4.527 0.002 0.000 0.300 1088 F C 2.423 178.280 175.800 0.095 0.000 1.085 1088 F CA 0.874 58.961 58.000 0.146 0.000 1.326 1088 F CB -0.200 38.910 39.000 0.183 0.000 1.027 1088 F HN -0.002 nan 8.300 nan 0.000 0.497 1089 R N 0.072 120.762 120.500 0.317 0.000 2.070 1089 R HA -0.160 4.181 4.340 0.002 0.000 0.232 1089 R C 2.460 178.850 176.300 0.149 0.000 1.138 1089 R CA 1.389 57.623 56.100 0.223 0.000 0.936 1089 R CB -0.721 29.721 30.300 0.237 0.000 0.839 1089 R HN 0.250 nan 8.270 nan 0.000 0.429 1090 A N 0.388 123.293 122.820 0.141 0.000 1.892 1090 A HA -0.180 4.141 4.320 0.002 0.000 0.218 1090 A C 2.324 179.837 177.584 -0.118 0.000 1.188 1090 A CA 2.022 54.053 52.037 -0.009 0.000 0.631 1090 A CB -0.842 18.046 19.000 -0.186 0.000 0.822 1090 A HN 0.244 nan 8.150 nan 0.000 0.447 1091 V N -0.162 119.561 119.914 -0.317 0.000 2.255 1091 V HA -0.276 3.845 4.120 0.002 0.000 0.247 1091 V C 2.525 178.560 176.094 -0.099 0.000 1.051 1091 V CA 2.181 64.241 62.300 -0.400 0.000 1.018 1091 V CB -0.728 30.707 31.823 -0.646 0.000 0.641 1091 V HN 0.578 nan 8.190 nan 0.000 0.445 1092 L N -0.398 120.836 121.223 0.018 0.000 2.313 1092 L HA -0.059 4.282 4.340 0.002 0.000 0.214 1092 L C 2.078 179.013 176.870 0.109 0.000 1.119 1092 L CA 0.748 55.648 54.840 0.100 0.000 0.809 1092 L CB -0.592 41.553 42.059 0.143 0.000 0.933 1092 L HN 0.330 nan 8.230 nan 0.000 0.449 1093 D N 0.091 120.548 120.400 0.095 0.000 2.351 1093 D HA -0.185 4.456 4.640 0.002 0.000 0.216 1093 D C 1.190 177.545 176.300 0.092 0.000 0.968 1093 D CA 1.093 55.146 54.000 0.088 0.000 0.899 1093 D CB -0.143 40.707 40.800 0.084 0.000 0.907 1093 D HN 0.388 nan 8.370 nan 0.000 0.514 1094 N N 0.320 119.097 118.700 0.127 0.000 2.416 1094 N HA 0.017 4.758 4.740 0.002 0.000 0.267 1094 N C 1.454 177.095 175.510 0.217 0.000 1.294 1094 N CA -0.232 52.901 53.050 0.138 0.000 0.891 1094 N CB 0.388 38.951 38.487 0.126 0.000 1.238 1094 N HN -0.018 nan 8.380 nan 0.000 0.508 1095 R N 0.251 120.881 120.500 0.216 0.000 2.241 1095 R HA -0.061 4.280 4.340 0.002 0.000 0.224 1095 R C 0.556 176.964 176.300 0.179 0.000 1.101 1095 R CA 1.155 57.411 56.100 0.261 0.000 0.995 1095 R CB 0.071 30.467 30.300 0.160 0.000 0.870 1095 R HN 0.364 nan 8.270 nan 0.000 0.463 1096 Q N 0.457 120.318 119.800 0.102 0.000 2.444 1096 Q HA 0.006 4.347 4.340 0.002 0.000 0.206 1096 Q C 0.563 176.585 176.000 0.037 0.000 0.948 1096 Q CA 0.560 56.400 55.803 0.063 0.000 0.946 1096 Q CB 0.390 29.153 28.738 0.042 0.000 1.027 1096 Q HN 0.443 nan 8.270 nan 0.000 0.513 1097 R N -0.423 120.071 120.500 -0.010 0.000 2.543 1097 R HA 0.166 4.508 4.340 0.002 0.000 0.323 1097 R C 0.644 176.861 176.300 -0.138 0.000 1.002 1097 R CA 0.009 56.057 56.100 -0.088 0.000 1.106 1097 R CB 0.625 30.849 30.300 -0.127 0.000 1.280 1097 R HN 0.251 nan 8.270 nan 0.000 0.549 1098 H N -0.989 118.199 119.070 0.197 0.000 2.672 1098 H HA 0.308 4.865 4.556 0.002 0.000 0.277 1098 H C 1.404 176.694 175.328 -0.064 0.000 1.074 1098 H CA 0.322 56.468 56.048 0.164 0.000 1.173 1098 H CB 0.955 30.748 29.762 0.052 0.000 1.558 1098 H HN 0.184 nan 8.280 nan 0.000 0.539 1099 A N 2.520 125.424 122.820 0.141 0.000 1.940 1099 A HA -0.171 4.150 4.320 0.002 0.000 0.219 1099 A C 2.171 179.787 177.584 0.055 0.000 1.176 1099 A CA 1.302 53.385 52.037 0.076 0.000 0.631 1099 A CB -1.128 17.927 19.000 0.092 0.000 0.814 1099 A HN 0.715 nan 8.150 nan 0.000 0.446 1100 W N -0.536 120.822 121.300 0.097 0.000 2.321 1100 W HA -0.070 4.591 4.660 0.002 0.000 0.285 1100 W C 0.322 176.967 176.519 0.210 0.000 1.213 1100 W CA 0.504 57.935 57.345 0.144 0.000 1.205 1100 W CB -0.911 28.568 29.460 0.032 0.000 1.134 1100 W HN 0.206 nan 8.180 nan 0.000 0.549 1101 L N 2.638 123.254 121.223 -1.012 0.000 2.265 1101 L HA 0.077 4.418 4.340 0.002 0.000 0.289 1101 L C 1.575 178.277 176.870 -0.279 0.000 1.033 1101 L CA -0.057 54.268 54.840 -0.859 0.000 0.814 1101 L CB 1.549 42.894 42.059 -1.190 0.000 1.203 1101 L HN -0.186 nan 8.230 nan 0.000 0.423 1102 E N 3.143 123.271 120.200 -0.119 0.000 2.153 1102 E HA -0.205 4.147 4.350 0.002 0.000 0.194 1102 E C 1.783 178.203 176.600 -0.301 0.000 0.988 1102 E CA 1.266 57.552 56.400 -0.191 0.000 0.811 1102 E CB 0.075 29.648 29.700 -0.211 0.000 0.746 1102 E HN 0.710 nan 8.360 nan 0.000 0.466 1103 L N -0.304 120.834 121.223 -0.141 0.000 2.042 1103 L HA -0.218 4.124 4.340 0.002 0.000 0.210 1103 L C 2.188 179.058 176.870 -0.000 0.000 1.076 1103 L CA 1.564 56.369 54.840 -0.058 0.000 0.749 1103 L CB -0.586 41.531 42.059 0.095 0.000 0.893 1103 L HN 0.296 nan 8.230 nan 0.000 0.432 1104 A N -0.286 122.616 122.820 0.136 0.000 2.019 1104 A HA -0.212 4.109 4.320 0.002 0.000 0.219 1104 A C 1.870 179.482 177.584 0.046 0.000 1.164 1104 A CA 1.737 53.882 52.037 0.179 0.000 0.644 1104 A CB -0.472 18.629 19.000 0.168 0.000 0.805 1104 A HN 0.540 nan 8.150 nan 0.000 0.449 1105 N N -0.491 118.189 118.700 -0.034 0.000 2.300 1105 N HA -0.085 4.656 4.740 0.002 0.000 0.179 1105 N C 1.711 177.164 175.510 -0.095 0.000 1.016 1105 N CA 0.921 53.935 53.050 -0.059 0.000 0.876 1105 N CB -0.257 38.182 38.487 -0.080 0.000 0.979 1105 N HN 0.451 nan 8.380 nan 0.000 0.432 1106 Q N 0.772 120.474 119.800 -0.164 0.000 2.172 1106 Q HA 0.085 4.426 4.340 0.002 0.000 0.200 1106 Q C 0.656 176.578 176.000 -0.130 0.000 0.964 1106 Q CA 0.349 56.042 55.803 -0.183 0.000 0.855 1106 Q CB 0.006 28.563 28.738 -0.302 0.000 0.918 1106 Q HN 0.413 nan 8.270 nan 0.000 0.444 1107 I N 0.996 121.500 120.570 -0.109 0.000 2.533 1107 I HA -0.087 4.084 4.170 0.002 0.000 0.284 1107 I C 1.318 177.395 176.117 -0.066 0.000 1.109 1107 I CA -0.274 60.959 61.300 -0.113 0.000 1.412 1107 I CB 0.861 38.788 38.000 -0.121 0.000 1.396 1107 I HN -0.178 nan 8.210 nan 0.000 0.543 1108 V N 4.193 124.064 119.914 -0.071 0.000 2.502 1108 V HA 0.080 4.201 4.120 0.002 0.000 0.234 1108 V C 0.370 176.447 176.094 -0.028 0.000 1.072 1108 V CA 1.100 63.377 62.300 -0.039 0.000 1.094 1108 V CB -0.032 31.770 31.823 -0.036 0.000 0.761 1108 V HN 0.756 nan 8.190 nan 0.000 0.489 1109 D N 0.445 120.822 120.400 -0.037 0.000 2.686 1109 D HA 0.373 5.014 4.640 0.002 0.000 0.249 1109 D C -1.074 175.203 176.300 -0.038 0.000 1.260 1109 D CA -0.086 53.901 54.000 -0.021 0.000 0.910 1109 D CB 2.207 43.004 40.800 -0.005 0.000 1.323 1109 D HN 0.146 nan 8.370 nan 0.000 0.561 1110 V N 1.348 121.236 119.914 -0.043 0.000 2.350 1110 V HA 0.635 4.757 4.120 0.002 0.000 0.276 1110 V C 0.033 176.135 176.094 0.013 0.000 1.028 1110 V CA -0.603 61.658 62.300 -0.065 0.000 0.860 1110 V CB 1.156 32.892 31.823 -0.145 0.000 0.990 1110 V HN 0.295 nan 8.190 nan 0.000 0.453 1111 K N 3.422 123.839 120.400 0.027 0.000 2.378 1111 K HA 0.808 5.129 4.320 0.002 0.000 0.252 1111 K C -0.263 176.369 176.600 0.054 0.000 0.931 1111 K CA -0.264 56.049 56.287 0.043 0.000 0.794 1111 K CB 2.183 34.705 32.500 0.036 0.000 1.181 1111 K HN 1.012 nan 8.250 nan 0.000 0.425 1112 A N 4.600 127.448 122.820 0.047 0.000 2.347 1112 A HA 0.256 4.577 4.320 0.002 0.000 0.287 1112 A C 0.510 178.112 177.584 0.029 0.000 1.199 1112 A CA -0.202 51.855 52.037 0.034 0.000 0.851 1112 A CB -0.196 18.813 19.000 0.016 0.000 1.118 1112 A HN 0.865 nan 8.150 nan 0.000 0.525 1113 L N 1.947 123.191 121.223 0.034 0.000 2.416 1113 L HA 0.059 4.400 4.340 0.002 0.000 0.216 1113 L C 1.331 178.211 176.870 0.016 0.000 1.098 1113 L CA 1.140 55.997 54.840 0.028 0.000 0.840 1113 L CB -0.291 41.792 42.059 0.039 0.000 0.981 1113 L HN 0.933 nan 8.230 nan 0.000 0.462 1114 S N -2.448 113.257 115.700 0.009 0.000 4.078 1114 S HA 0.174 4.645 4.470 0.002 0.000 0.290 1114 S C 0.616 175.202 174.600 -0.022 0.000 1.069 1114 S CA -0.691 57.507 58.200 -0.004 0.000 1.246 1114 S CB 1.684 64.883 63.200 -0.002 0.000 1.659 1114 S HN -0.163 nan 8.310 nan 0.000 0.624 1115 K N 0.933 121.314 120.400 -0.032 0.000 2.168 1115 K HA 0.107 4.428 4.320 0.002 0.000 0.201 1115 K C 1.473 178.027 176.600 -0.076 0.000 1.049 1115 K CA 1.647 57.899 56.287 -0.059 0.000 0.974 1115 K CB -0.184 32.287 32.500 -0.049 0.000 0.792 1115 K HN 0.795 nan 8.250 nan 0.000 0.463 1116 T N -0.835 113.694 114.554 -0.042 0.000 3.129 1116 T HA 0.226 4.578 4.350 0.002 0.000 0.267 1116 T C -0.148 174.564 174.700 0.020 0.000 1.018 1116 T CA -0.492 61.592 62.100 -0.028 0.000 0.903 1116 T CB 0.333 69.189 68.868 -0.019 0.000 1.067 1116 T HN -0.073 nan 8.240 nan 0.000 0.549 1117 E N 1.194 121.411 120.200 0.028 0.000 2.187 1117 E HA 0.588 4.939 4.350 0.002 0.000 0.268 1117 E C -1.531 175.124 176.600 0.092 0.000 0.896 1117 E CA -0.805 55.642 56.400 0.078 0.000 0.766 1117 E CB 2.785 32.525 29.700 0.066 0.000 1.142 1117 E HN 0.229 nan 8.360 nan 0.000 0.408 1118 L N 1.947 123.276 121.223 0.177 0.000 2.381 1118 L HA 0.292 4.633 4.340 0.002 0.000 0.274 1118 L C -0.847 176.194 176.870 0.285 0.000 0.988 1118 L CA -0.282 54.672 54.840 0.190 0.000 0.824 1118 L CB 1.869 44.030 42.059 0.172 0.000 1.263 1118 L HN 0.420 nan 8.230 nan 0.000 0.410 1119 Q N 5.292 125.206 119.800 0.190 0.000 2.325 1119 Q HA 0.573 4.914 4.340 0.002 0.000 0.262 1119 Q C -1.454 174.633 176.000 0.145 0.000 0.968 1119 Q CA -0.526 55.391 55.803 0.191 0.000 0.877 1119 Q CB 1.316 30.119 28.738 0.109 0.000 1.253 1119 Q HN 0.654 nan 8.270 nan 0.000 0.448 1120 I N 3.338 124.046 120.570 0.229 0.000 2.433 1120 I HA 0.353 4.525 4.170 0.002 0.000 0.292 1120 I C 0.021 176.188 176.117 0.084 0.000 1.001 1120 I CA -0.790 60.563 61.300 0.088 0.000 1.119 1120 I CB 1.838 39.902 38.000 0.107 0.000 1.289 1120 I HN 0.586 nan 8.210 nan 0.000 0.438 1121 T N 4.836 119.381 114.554 -0.015 0.000 2.829 1121 T HA 0.773 5.124 4.350 0.002 0.000 0.280 1121 T C -0.585 174.063 174.700 -0.087 0.000 0.999 1121 T CA -0.753 61.333 62.100 -0.023 0.000 0.983 1121 T CB 1.828 70.685 68.868 -0.017 0.000 0.968 1121 T HN 0.377 nan 8.240 nan 0.000 0.446 1122 L N 2.565 123.737 121.223 -0.085 0.000 2.333 1122 L HA 0.524 4.865 4.340 0.002 0.000 0.269 1122 L C 1.495 178.331 176.870 -0.057 0.000 1.010 1122 L CA -1.289 53.483 54.840 -0.115 0.000 0.818 1122 L CB 1.795 43.757 42.059 -0.161 0.000 1.306 1122 L HN 0.687 nan 8.230 nan 0.000 0.430 1123 K N 0.495 120.861 120.400 -0.057 0.000 2.147 1123 K HA -0.056 4.265 4.320 0.002 0.000 0.205 1123 K C 0.538 177.133 176.600 -0.008 0.000 1.049 1123 K CA 1.134 57.401 56.287 -0.034 0.000 0.936 1123 K CB 0.008 32.483 32.500 -0.041 0.000 0.722 1123 K HN 0.730 nan 8.250 nan 0.000 0.446 1124 S N -1.651 114.058 115.700 0.014 0.000 2.579 1124 S HA 0.518 4.989 4.470 0.002 0.000 0.272 1124 S C -0.518 174.166 174.600 0.140 0.000 1.141 1124 S CA -0.798 57.443 58.200 0.069 0.000 0.843 1124 S CB 1.998 65.248 63.200 0.084 0.000 1.122 1124 S HN 0.085 nan 8.310 nan 0.000 0.468 1125 A N 1.561 124.485 122.820 0.174 0.000 2.863 1125 A HA 0.196 4.518 4.320 0.002 0.000 0.246 1125 A C 0.041 177.905 177.584 0.466 0.000 1.772 1125 A CA -0.114 52.095 52.037 0.288 0.000 1.456 1125 A CB -1.706 17.429 19.000 0.225 0.000 0.930 1125 A HN 0.909 nan 8.150 nan 0.000 0.630 1126 Y N 1.827 122.246 120.300 0.199 0.000 2.783 1126 Y HA 0.093 4.645 4.550 0.002 0.000 0.359 1126 Y C 1.094 177.105 175.900 0.185 0.000 1.220 1126 Y CA -0.468 57.709 58.100 0.128 0.000 1.649 1126 Y CB -0.473 38.003 38.460 0.027 0.000 1.273 1126 Y HN 0.632 nan 8.280 nan 0.000 0.506 1127 Y N 6.368 126.543 120.300 -0.209 0.000 2.193 1127 Y HA -0.027 4.524 4.550 0.002 0.000 0.285 1127 Y C -1.245 174.470 175.900 -0.308 0.000 1.166 1127 Y CA 0.591 58.592 58.100 -0.165 0.000 1.181 1127 Y CB -1.791 36.467 38.460 -0.337 0.000 0.976 1127 Y HN 0.401 nan 8.280 nan 0.000 0.520 1128 P HA 0.001 nan 4.420 nan 0.000 0.253 1128 P C 1.200 178.179 177.300 -0.535 0.000 1.281 1128 P CA 0.408 62.813 63.100 -1.157 0.000 0.792 1128 P CB -0.829 29.851 31.700 -1.701 0.000 1.193 1129 F N 0.910 120.581 119.950 -0.464 0.000 2.065 1129 F HA -0.256 4.272 4.527 0.002 0.000 0.298 1129 F C 1.620 177.253 175.800 -0.278 0.000 1.112 1129 F CA 1.539 59.401 58.000 -0.230 0.000 1.212 1129 F CB -0.324 38.512 39.000 -0.274 0.000 0.975 1129 F HN -0.200 nan 8.300 nan 0.000 0.476 1130 L N -0.057 120.825 121.223 -0.569 0.000 2.109 1130 L HA -0.159 4.182 4.340 0.002 0.000 0.207 1130 L C 2.495 179.158 176.870 -0.344 0.000 1.086 1130 L CA 1.040 55.478 54.840 -0.668 0.000 0.760 1130 L CB -0.823 40.913 42.059 -0.538 0.000 0.910 1130 L HN 0.210 nan 8.230 nan 0.000 0.437 1131 Q N -0.038 119.633 119.800 -0.215 0.000 2.124 1131 Q HA -0.227 4.115 4.340 0.002 0.000 0.202 1131 Q C 2.065 177.965 176.000 -0.166 0.000 0.977 1131 Q CA 1.566 57.287 55.803 -0.137 0.000 0.850 1131 Q CB 0.031 28.677 28.738 -0.154 0.000 0.901 1131 Q HN 0.520 nan 8.270 nan 0.000 0.429 1132 E N 0.179 120.298 120.200 -0.134 0.000 2.122 1132 E HA -0.075 4.276 4.350 0.002 0.000 0.190 1132 E C 1.943 178.563 176.600 0.034 0.000 0.977 1132 E CA 0.236 56.634 56.400 -0.003 0.000 0.820 1132 E CB 0.068 29.855 29.700 0.145 0.000 0.770 1132 E HN 0.283 nan 8.360 nan 0.000 0.462 1133 L N 0.639 121.779 121.223 -0.139 0.000 2.129 1133 L HA -0.202 4.139 4.340 0.002 0.000 0.212 1133 L C 2.187 179.024 176.870 -0.056 0.000 1.087 1133 L CA 0.966 55.715 54.840 -0.151 0.000 0.757 1133 L CB -0.180 41.612 42.059 -0.445 0.000 0.896 1133 L HN 0.138 nan 8.230 nan 0.000 0.434 1134 A N -0.876 121.894 122.820 -0.083 0.000 2.238 1134 A HA 0.138 4.459 4.320 0.002 0.000 0.208 1134 A C 1.023 178.584 177.584 -0.038 0.000 1.177 1134 A CA -0.093 51.916 52.037 -0.046 0.000 0.804 1134 A CB -0.327 18.668 19.000 -0.008 0.000 0.823 1134 A HN 0.256 nan 8.150 nan 0.000 0.482 1135 L N -0.480 120.733 121.223 -0.017 0.000 2.467 1135 L HA 0.091 4.433 4.340 0.002 0.000 0.270 1135 L C -1.277 175.613 176.870 0.034 0.000 1.205 1135 L CA -1.473 53.372 54.840 0.008 0.000 0.828 1135 L CB 0.500 42.610 42.059 0.085 0.000 1.101 1135 L HN 0.063 nan 8.230 nan 0.000 0.479 1136 P HA -0.151 nan 4.420 nan 0.000 0.217 1136 P C -0.839 176.464 177.300 0.004 0.000 1.148 1136 P CA 1.452 64.577 63.100 0.042 0.000 0.834 1136 P CB 0.225 31.967 31.700 0.070 0.000 0.783 1137 R N -4.083 116.425 120.500 0.013 0.000 2.712 1137 R HA 0.384 4.725 4.340 0.002 0.000 0.272 1137 R C -2.841 173.419 176.300 -0.068 0.000 1.032 1137 R CA -1.486 54.554 56.100 -0.099 0.000 0.874 1137 R CB -0.287 29.906 30.300 -0.177 0.000 1.256 1137 R HN -0.304 nan 8.270 nan 0.000 0.468 1138 P HA 0.189 nan 4.420 nan 0.000 0.268 1138 P C -0.572 176.316 177.300 -0.688 0.000 1.329 1138 P CA 0.062 62.853 63.100 -0.516 0.000 0.899 1138 P CB 0.199 31.534 31.700 -0.608 0.000 1.378 1139 F N 1.150 120.906 119.950 -0.324 0.000 2.833 1139 F HA 0.285 4.813 4.527 0.002 0.000 0.327 1139 F C 1.196 176.504 175.800 -0.819 0.000 1.184 1139 F CA -0.377 57.263 58.000 -0.600 0.000 1.328 1139 F CB -0.013 38.759 39.000 -0.380 0.000 1.440 1139 F HN -0.336 nan 8.300 nan 0.000 0.569 1140 R N 0.130 120.253 120.500 -0.629 0.000 2.803 1140 R HA 0.520 4.861 4.340 0.002 0.000 0.276 1140 R C -1.304 174.608 176.300 -0.647 0.000 0.978 1140 R CA -0.973 54.739 56.100 -0.646 0.000 0.939 1140 R CB 1.953 32.130 30.300 -0.205 0.000 1.179 1140 R HN 0.056 nan 8.270 nan 0.000 0.472 1141 F N 2.165 122.208 119.950 0.156 0.000 2.385 1141 F HA 0.434 4.963 4.527 0.002 0.000 0.360 1141 F C 0.685 176.760 175.800 0.458 0.000 1.122 1141 F CA -0.692 57.493 58.000 0.308 0.000 1.090 1141 F CB 0.812 40.061 39.000 0.415 0.000 1.150 1141 F HN 0.255 nan 8.300 nan 0.000 0.472 1142 I N 2.806 123.633 120.570 0.428 0.000 2.499 1142 I HA 0.646 4.818 4.170 0.002 0.000 0.296 1142 I C 0.190 176.528 176.117 0.368 0.000 0.992 1142 I CA -0.730 60.836 61.300 0.443 0.000 1.297 1142 I CB 1.123 39.195 38.000 0.120 0.000 1.410 1142 I HN 0.724 nan 8.210 nan 0.000 0.507 1143 A N 9.064 131.722 122.820 -0.270 0.000 2.546 1143 A HA 0.244 4.565 4.320 0.002 0.000 0.243 1143 A C -1.624 175.722 177.584 -0.397 0.000 1.063 1143 A CA -0.893 50.504 52.037 -1.067 0.000 0.757 1143 A CB -0.377 17.833 19.000 -1.316 0.000 0.991 1143 A HN 0.698 nan 8.150 nan 0.000 0.503 1144 P HA -0.233 nan 4.420 nan 0.000 0.216 1144 P C 1.608 178.538 177.300 -0.617 0.000 1.150 1144 P CA 2.026 64.608 63.100 -0.863 0.000 0.837 1144 P CB -0.233 31.119 31.700 -0.579 0.000 0.786 1145 S N 0.637 116.126 115.700 -0.351 0.000 2.389 1145 S HA -0.235 4.236 4.470 0.002 0.000 0.231 1145 S C 1.820 176.363 174.600 -0.094 0.000 1.052 1145 S CA 1.212 59.289 58.200 -0.205 0.000 1.053 1145 S CB -1.402 61.702 63.200 -0.160 0.000 0.886 1145 S HN 0.203 nan 8.310 nan 0.000 0.456 1146 Q N 0.549 120.336 119.800 -0.020 0.000 2.415 1146 Q HA 0.324 4.665 4.340 0.002 0.000 0.206 1146 Q C -0.111 176.031 176.000 0.237 0.000 0.946 1146 Q CA -0.112 55.743 55.803 0.087 0.000 0.951 1146 Q CB -0.476 28.301 28.738 0.065 0.000 1.026 1146 Q HN 0.663 nan 8.270 nan 0.000 0.510 1147 F N 1.229 121.138 119.950 -0.069 0.000 2.529 1147 F HA -0.042 4.486 4.527 0.002 0.000 0.365 1147 F C 1.794 177.569 175.800 -0.042 0.000 1.102 1147 F CA -0.523 57.450 58.000 -0.045 0.000 1.271 1147 F CB 0.783 39.756 39.000 -0.044 0.000 1.120 1147 F HN -0.070 nan 8.300 nan 0.000 0.579 1148 K N 2.642 123.111 120.400 0.115 0.000 2.009 1148 K HA -0.184 4.137 4.320 0.002 0.000 0.210 1148 K C 0.822 177.473 176.600 0.086 0.000 1.049 1148 K CA 2.033 58.360 56.287 0.068 0.000 0.929 1148 K CB -0.030 32.489 32.500 0.031 0.000 0.714 1148 K HN 0.620 nan 8.250 nan 0.000 0.440 1149 N N -2.292 116.482 118.700 0.124 0.000 2.683 1149 N HA 0.153 4.895 4.740 0.002 0.000 0.220 1149 N C 0.592 176.230 175.510 0.214 0.000 1.163 1149 N CA 0.113 53.267 53.050 0.173 0.000 1.149 1149 N CB 0.357 38.949 38.487 0.175 0.000 1.495 1149 N HN 0.115 nan 8.380 nan 0.000 0.550 1150 H N -0.926 118.237 119.070 0.154 0.000 2.923 1150 H HA 0.374 4.931 4.556 0.002 0.000 0.268 1150 H C -0.558 174.979 175.328 0.348 0.000 1.148 1150 H CA 0.098 56.277 56.048 0.219 0.000 1.146 1150 H CB 1.267 31.108 29.762 0.132 0.000 1.607 1150 H HN 0.230 nan 8.280 nan 0.000 0.566 1151 E N 0.253 120.637 120.200 0.307 0.000 2.369 1151 E HA 0.166 4.518 4.350 0.002 0.000 0.270 1151 E C 0.408 176.952 176.600 -0.094 0.000 0.909 1151 E CA -0.375 56.094 56.400 0.116 0.000 0.775 1151 E CB 1.835 31.591 29.700 0.094 0.000 1.270 1151 E HN 0.138 nan 8.360 nan 0.000 0.445 1152 T N -0.962 113.425 114.554 -0.278 0.000 3.044 1152 T HA 0.169 4.520 4.350 0.002 0.000 0.260 1152 T C 1.421 176.050 174.700 -0.119 0.000 1.019 1152 T CA -0.131 61.798 62.100 -0.284 0.000 0.921 1152 T CB -0.026 68.559 68.868 -0.473 0.000 1.053 1152 T HN 0.371 nan 8.240 nan 0.000 0.533 1153 M N 2.590 122.157 119.600 -0.055 0.000 2.192 1153 M HA -0.059 4.423 4.480 0.002 0.000 0.259 1153 M C 0.151 176.439 176.300 -0.019 0.000 1.071 1153 M CA 1.352 56.645 55.300 -0.012 0.000 1.082 1153 M CB -0.390 32.218 32.600 0.012 0.000 1.373 1153 M HN 0.499 nan 8.290 nan 0.000 0.408 1154 N N 0.379 119.064 118.700 -0.026 0.000 2.648 1154 N HA 0.429 5.170 4.740 0.002 0.000 0.261 1154 N C -0.312 175.178 175.510 -0.033 0.000 1.138 1154 N CA 0.004 53.039 53.050 -0.024 0.000 0.804 1154 N CB 1.338 39.820 38.487 -0.010 0.000 1.237 1154 N HN 0.272 nan 8.380 nan 0.000 0.532 1155 G N 1.663 110.434 108.800 -0.049 0.000 2.785 1155 G HA2 -0.137 3.824 3.960 0.002 0.000 0.685 1155 G HA3 -0.137 3.824 3.960 0.002 0.000 0.685 1155 G C -0.463 174.402 174.900 -0.058 0.000 1.480 1155 G CA -0.248 44.822 45.100 -0.050 0.000 0.915 1155 G HN 0.769 nan 8.290 nan 0.000 0.576 1156 I N -1.911 118.628 120.570 -0.052 0.000 3.145 1156 I HA 0.682 4.853 4.170 0.002 0.000 0.313 1156 I C 0.784 176.898 176.117 -0.006 0.000 1.122 1156 I CA -1.254 60.027 61.300 -0.033 0.000 0.987 1156 I CB 1.484 39.451 38.000 -0.055 0.000 1.236 1156 I HN 0.740 nan 8.210 nan 0.000 0.453 1157 K N 1.914 122.323 120.400 0.014 0.000 1.997 1157 K HA 0.270 4.592 4.320 0.002 0.000 0.219 1157 K C 0.475 177.078 176.600 0.005 0.000 1.023 1157 K CA 1.007 57.300 56.287 0.010 0.000 1.003 1157 K CB -0.178 32.331 32.500 0.015 0.000 0.842 1157 K HN 0.836 nan 8.250 nan 0.000 0.445 1158 A N 2.603 125.430 122.820 0.013 0.000 2.276 1158 A HA 0.329 4.650 4.320 0.002 0.000 0.316 1158 A C -2.396 175.213 177.584 0.042 0.000 1.229 1158 A CA -1.595 50.449 52.037 0.011 0.000 0.851 1158 A CB 0.753 19.755 19.000 0.004 0.000 1.165 1158 A HN 0.239 nan 8.150 nan 0.000 0.513 1159 P HA 0.061 nan 4.420 nan 0.000 0.252 1159 P C -0.717 176.648 177.300 0.108 0.000 1.635 1159 P CA 0.394 63.563 63.100 0.114 0.000 1.206 1159 P CB -0.357 31.375 31.700 0.053 0.000 1.911 1160 I N 2.292 122.973 120.570 0.185 0.000 2.328 1160 I HA 0.354 4.525 4.170 0.002 0.000 0.287 1160 I C 1.187 177.532 176.117 0.380 0.000 1.012 1160 I CA -0.270 61.140 61.300 0.183 0.000 1.195 1160 I CB 1.021 39.091 38.000 0.116 0.000 1.350 1160 I HN 0.159 nan 8.210 nan 0.000 0.464 1161 G N 3.726 112.681 108.800 0.259 0.000 2.753 1161 G HA2 0.472 4.434 3.960 0.002 0.000 0.285 1161 G HA3 0.472 4.434 3.960 0.002 0.000 0.285 1161 G C 0.507 175.671 174.900 0.441 0.000 1.344 1161 G CA -0.074 45.287 45.100 0.435 0.000 1.050 1161 G HN 0.509 nan 8.290 nan 0.000 0.532 1162 T N -2.712 112.048 114.554 0.344 0.000 3.134 1162 T HA 0.402 4.754 4.350 0.002 0.000 0.260 1162 T C 1.033 175.986 174.700 0.421 0.000 1.027 1162 T CA 0.407 62.656 62.100 0.249 0.000 0.913 1162 T CB 0.176 69.017 68.868 -0.045 0.000 1.046 1162 T HN 0.715 nan 8.240 nan 0.000 0.553 1163 G N 2.460 111.436 108.800 0.293 0.000 2.572 1163 G HA2 0.474 4.435 3.960 0.002 0.000 0.261 1163 G HA3 0.474 4.435 3.960 0.002 0.000 0.261 1163 G C -1.470 173.325 174.900 -0.175 0.000 1.197 1163 G CA -1.572 43.633 45.100 0.174 0.000 0.870 1163 G HN 0.078 nan 8.290 nan 0.000 0.548 1164 P HA 0.044 nan 4.420 nan 0.000 0.245 1164 P C -0.779 175.896 177.300 -1.040 0.000 1.212 1164 P CA 0.403 62.717 63.100 -1.311 0.000 0.774 1164 P CB 0.120 30.751 31.700 -1.782 0.000 0.999 1165 W N 0.466 121.687 121.300 -0.132 0.000 2.785 1165 W HA 0.529 5.190 4.660 0.002 0.000 0.333 1165 W C -0.279 176.310 176.519 0.117 0.000 1.062 1165 W CA -0.752 56.611 57.345 0.031 0.000 1.233 1165 W CB 1.413 30.887 29.460 0.023 0.000 1.413 1165 W HN -0.331 nan 8.180 nan 0.000 0.489 1166 I N 4.163 124.947 120.570 0.357 0.000 2.418 1166 I HA 0.224 4.396 4.170 0.002 0.000 0.287 1166 I C -0.140 175.959 176.117 -0.029 0.000 1.008 1166 I CA -1.154 60.234 61.300 0.146 0.000 1.104 1166 I CB 1.466 39.504 38.000 0.064 0.000 1.264 1166 I HN 0.234 nan 8.210 nan 0.000 0.438 1167 L N 6.253 127.295 121.223 -0.302 0.000 2.562 1167 L HA 0.017 4.358 4.340 0.002 0.000 0.271 1167 L C 0.985 177.668 176.870 -0.310 0.000 1.167 1167 L CA 0.901 55.357 54.840 -0.640 0.000 0.917 1167 L CB 0.902 42.617 42.059 -0.574 0.000 1.187 1167 L HN 0.879 nan 8.230 nan 0.000 0.482 1168 Q N 3.414 123.046 119.800 -0.280 0.000 2.390 1168 Q HA 0.148 4.489 4.340 0.002 0.000 0.216 1168 Q C -0.144 175.774 176.000 -0.137 0.000 0.916 1168 Q CA 0.433 56.153 55.803 -0.140 0.000 0.911 1168 Q CB 0.883 29.580 28.738 -0.068 0.000 1.035 1168 Q HN 0.707 nan 8.270 nan 0.000 0.541 1169 E N -0.116 119.974 120.200 -0.182 0.000 2.321 1169 E HA 0.323 4.674 4.350 0.002 0.000 0.278 1169 E C -1.927 174.528 176.600 -0.241 0.000 0.902 1169 E CA -0.220 56.072 56.400 -0.179 0.000 0.758 1169 E CB 2.415 32.031 29.700 -0.141 0.000 1.213 1169 E HN -0.070 nan 8.360 nan 0.000 0.426 1170 S N 2.856 118.419 115.700 -0.228 0.000 2.594 1170 S HA 0.501 4.972 4.470 0.002 0.000 0.296 1170 S C -1.394 173.070 174.600 -0.226 0.000 1.124 1170 S CA -0.604 57.462 58.200 -0.223 0.000 1.011 1170 S CB 0.900 64.004 63.200 -0.162 0.000 1.016 1170 S HN 0.390 nan 8.310 nan 0.000 0.485 1171 K N 3.945 124.181 120.400 -0.273 0.000 2.507 1171 K HA 0.445 4.766 4.320 0.002 0.000 0.251 1171 K C -0.794 175.747 176.600 -0.098 0.000 0.943 1171 K CA -0.659 55.508 56.287 -0.199 0.000 0.794 1171 K CB 1.234 33.571 32.500 -0.272 0.000 1.188 1171 K HN 0.588 nan 8.250 nan 0.000 0.428 1172 L N 3.991 125.188 121.223 -0.045 0.000 2.514 1172 L HA -0.071 4.271 4.340 0.002 0.000 0.280 1172 L C 0.777 177.664 176.870 0.029 0.000 1.223 1172 L CA 0.712 55.550 54.840 -0.003 0.000 0.864 1172 L CB 0.097 42.154 42.059 -0.003 0.000 1.118 1172 L HN 0.939 nan 8.230 nan 0.000 0.494 1173 N N 1.565 120.294 118.700 0.049 0.000 2.717 1173 N HA -0.270 4.471 4.740 0.002 0.000 0.248 1173 N C 0.691 176.264 175.510 0.105 0.000 1.099 1173 N CA 1.570 54.661 53.050 0.069 0.000 0.843 1173 N CB -0.349 38.168 38.487 0.050 0.000 1.155 1173 N HN 0.711 nan 8.380 nan 0.000 0.580 1174 Q N -1.277 118.604 119.800 0.135 0.000 2.612 1174 Q HA 0.231 4.572 4.340 0.002 0.000 0.193 1174 Q C -0.004 176.236 176.000 0.400 0.000 0.828 1174 Q CA 0.535 56.488 55.803 0.250 0.000 0.851 1174 Q CB 0.828 29.728 28.738 0.270 0.000 1.178 1174 Q HN 0.496 nan 8.270 nan 0.000 0.634 1175 Y N -2.015 118.334 120.300 0.082 0.000 2.741 1175 Y HA 0.533 5.084 4.550 0.002 0.000 0.339 1175 Y C -2.040 173.927 175.900 0.112 0.000 1.226 1175 Y CA -1.483 56.688 58.100 0.117 0.000 1.072 1175 Y CB 1.147 39.669 38.460 0.103 0.000 1.331 1175 Y HN -0.132 nan 8.280 nan 0.000 0.453 1176 D N 1.122 121.666 120.400 0.240 0.000 2.575 1176 D HA 0.593 5.234 4.640 0.002 0.000 0.236 1176 D C -1.230 175.235 176.300 0.275 0.000 1.075 1176 D CA -0.524 53.541 54.000 0.110 0.000 0.860 1176 D CB 3.144 44.006 40.800 0.102 0.000 1.475 1176 D HN 0.492 nan 8.370 nan 0.000 0.474 1177 V N 0.806 120.764 119.914 0.073 0.000 2.604 1177 V HA 0.546 4.667 4.120 0.002 0.000 0.305 1177 V C -0.862 175.214 176.094 -0.030 0.000 1.043 1177 V CA -0.818 61.563 62.300 0.135 0.000 0.888 1177 V CB 1.700 33.590 31.823 0.112 0.000 0.995 1177 V HN 0.416 nan 8.190 nan 0.000 0.429 1178 F N 2.305 122.315 119.950 0.101 0.000 2.539 1178 F HA 0.643 5.171 4.527 0.002 0.000 0.328 1178 F C -0.215 175.669 175.800 0.141 0.000 1.148 1178 F CA -0.640 57.420 58.000 0.101 0.000 0.940 1178 F CB 2.188 41.230 39.000 0.069 0.000 1.194 1178 F HN 0.241 nan 8.300 nan 0.000 0.438 1179 V N 4.599 124.693 119.914 0.299 0.000 2.435 1179 V HA 0.415 4.537 4.120 0.002 0.000 0.290 1179 V C 0.359 176.629 176.094 0.293 0.000 1.030 1179 V CA -1.035 61.414 62.300 0.249 0.000 0.881 1179 V CB 1.550 33.440 31.823 0.112 0.000 0.983 1179 V HN 0.669 nan 8.190 nan 0.000 0.445 1180 R N 3.741 124.373 120.500 0.220 0.000 2.678 1180 R HA -0.048 4.293 4.340 0.002 0.000 0.264 1180 R C 0.432 176.662 176.300 -0.116 0.000 0.995 1180 R CA 0.241 56.251 56.100 -0.150 0.000 1.098 1180 R CB 0.215 30.365 30.300 -0.250 0.000 0.949 1180 R HN 0.890 nan 8.270 nan 0.000 0.422 1181 N N 2.497 121.063 118.700 -0.223 0.000 2.420 1181 N HA -0.028 4.713 4.740 0.002 0.000 0.249 1181 N C -0.312 175.163 175.510 -0.057 0.000 1.033 1181 N CA -0.277 52.722 53.050 -0.084 0.000 0.944 1181 N CB 0.930 39.391 38.487 -0.044 0.000 1.113 1181 N HN 0.579 nan 8.380 nan 0.000 0.502 1182 E N 1.771 121.961 120.200 -0.017 0.000 2.358 1182 E HA -0.000 4.351 4.350 0.002 0.000 0.195 1182 E C -0.116 176.499 176.600 0.025 0.000 1.010 1182 E CA 0.706 57.103 56.400 -0.006 0.000 0.856 1182 E CB 0.199 29.898 29.700 -0.002 0.000 0.795 1182 E HN 0.543 nan 8.360 nan 0.000 0.504 1183 N N 0.422 119.153 118.700 0.053 0.000 2.575 1183 N HA 0.002 4.743 4.740 0.002 0.000 0.275 1183 N C -1.136 174.446 175.510 0.120 0.000 1.202 1183 N CA -0.078 53.016 53.050 0.073 0.000 0.945 1183 N CB -0.046 38.486 38.487 0.075 0.000 1.247 1183 N HN 0.145 nan 8.380 nan 0.000 0.510 1184 Y N 1.054 121.327 120.300 -0.046 0.000 2.320 1184 Y HA 0.157 4.708 4.550 0.002 0.000 0.334 1184 Y C 1.446 177.281 175.900 -0.109 0.000 1.055 1184 Y CA -1.260 56.788 58.100 -0.087 0.000 1.143 1184 Y CB 0.583 38.911 38.460 -0.220 0.000 1.193 1184 Y HN 0.208 nan 8.280 nan 0.000 0.477 1185 W N 4.707 125.566 121.300 -0.734 0.000 2.425 1185 W HA 0.166 4.828 4.660 0.002 0.000 0.277 1185 W C 0.208 176.339 176.519 -0.647 0.000 1.231 1185 W CA 0.696 57.682 57.345 -0.598 0.000 1.248 1185 W CB -0.976 28.167 29.460 -0.529 0.000 1.117 1185 W HN 0.688 nan 8.180 nan 0.000 0.568 1186 G N 1.119 108.734 108.800 -1.976 0.000 2.543 1186 G HA2 0.259 4.220 3.960 0.002 0.000 0.267 1186 G HA3 0.259 4.220 3.960 0.002 0.000 0.267 1186 G C -0.967 173.620 174.900 -0.522 0.000 1.406 1186 G CA -0.864 43.404 45.100 -1.387 0.000 1.048 1186 G HN 0.075 nan 8.290 nan 0.000 0.548 1187 E N -0.349 119.694 120.200 -0.262 0.000 2.415 1187 E HA 0.247 4.598 4.350 0.002 0.000 0.262 1187 E C -0.288 176.306 176.600 -0.011 0.000 1.038 1187 E CA 0.025 56.375 56.400 -0.083 0.000 0.921 1187 E CB 0.651 30.329 29.700 -0.036 0.000 0.950 1187 E HN 0.099 nan 8.360 nan 0.000 0.438 1188 K N 3.117 123.498 120.400 -0.031 0.000 2.172 1188 K HA 0.284 4.605 4.320 0.002 0.000 0.276 1188 K C -2.383 174.175 176.600 -0.070 0.000 1.013 1188 K CA -2.217 54.036 56.287 -0.057 0.000 0.913 1188 K CB 0.757 33.227 32.500 -0.050 0.000 1.055 1188 K HN 0.221 nan 8.250 nan 0.000 0.461 1189 P HA 0.224 nan 4.420 nan 0.000 0.285 1189 P C -0.315 176.979 177.300 -0.009 0.000 1.259 1189 P CA -0.431 62.632 63.100 -0.062 0.000 0.794 1189 P CB 1.647 33.265 31.700 -0.136 0.000 0.940 1190 A N 4.386 127.237 122.820 0.050 0.000 2.076 1190 A HA -0.044 4.277 4.320 0.002 0.000 0.220 1190 A C 1.251 178.882 177.584 0.080 0.000 1.160 1190 A CA 0.827 52.896 52.037 0.052 0.000 0.653 1190 A CB -0.710 18.321 19.000 0.052 0.000 0.801 1190 A HN 0.546 nan 8.150 nan 0.000 0.455 1191 I N -0.879 119.785 120.570 0.157 0.000 2.581 1191 I HA 0.203 4.374 4.170 0.002 0.000 0.288 1191 I C 0.679 176.927 176.117 0.219 0.000 1.047 1191 I CA 0.060 61.480 61.300 0.200 0.000 1.374 1191 I CB 0.862 39.030 38.000 0.279 0.000 1.423 1191 I HN 0.205 nan 8.210 nan 0.000 0.549 1192 K N 2.515 123.017 120.400 0.171 0.000 2.367 1192 K HA 0.200 4.521 4.320 0.002 0.000 0.198 1192 K C 0.397 177.125 176.600 0.212 0.000 1.132 1192 K CA 0.116 56.493 56.287 0.150 0.000 0.941 1192 K CB 0.806 33.349 32.500 0.072 0.000 1.052 1192 K HN 0.394 nan 8.250 nan 0.000 0.507 1193 K N 1.724 122.211 120.400 0.145 0.000 2.507 1193 K HA 0.406 4.727 4.320 0.002 0.000 0.252 1193 K C -1.469 175.111 176.600 -0.033 0.000 0.943 1193 K CA -0.320 56.023 56.287 0.094 0.000 0.808 1193 K CB 1.302 33.834 32.500 0.053 0.000 1.142 1193 K HN -0.055 nan 8.250 nan 0.000 0.426 1194 I N 3.352 123.864 120.570 -0.096 0.000 2.362 1194 I HA 0.253 4.424 4.170 0.002 0.000 0.289 1194 I C -0.470 175.515 176.117 -0.221 0.000 0.994 1194 I CA -0.705 60.367 61.300 -0.381 0.000 1.158 1194 I CB 2.113 39.557 38.000 -0.926 0.000 1.315 1194 I HN 0.496 nan 8.210 nan 0.000 0.451 1195 T N 5.998 120.368 114.554 -0.307 0.000 2.758 1195 T HA 0.477 4.828 4.350 0.002 0.000 0.285 1195 T C -0.485 174.092 174.700 -0.206 0.000 0.981 1195 T CA -0.279 61.757 62.100 -0.107 0.000 0.965 1195 T CB 0.435 69.266 68.868 -0.060 0.000 0.927 1195 T HN 0.150 nan 8.240 nan 0.000 0.448 1196 F N 2.736 122.777 119.950 0.151 0.000 2.307 1196 F HA 0.346 4.875 4.527 0.002 0.000 0.369 1196 F C 0.785 176.722 175.800 0.229 0.000 1.076 1196 F CA -1.037 57.072 58.000 0.181 0.000 1.149 1196 F CB 0.365 39.504 39.000 0.232 0.000 1.410 1196 F HN 0.449 nan 8.300 nan 0.000 0.481 1197 N N 1.748 120.625 118.700 0.295 0.000 2.431 1197 N HA 0.126 4.867 4.740 0.002 0.000 0.265 1197 N C -0.427 175.246 175.510 0.272 0.000 1.184 1197 N CA -0.123 53.076 53.050 0.249 0.000 0.943 1197 N CB 0.888 39.453 38.487 0.130 0.000 1.080 1197 N HN 0.226 nan 8.380 nan 0.000 0.477 1198 V N 5.287 125.360 119.914 0.265 0.000 2.356 1198 V HA -0.019 4.102 4.120 0.002 0.000 0.244 1198 V C 0.306 176.489 176.094 0.148 0.000 1.120 1198 V CA 0.452 62.883 62.300 0.218 0.000 1.181 1198 V CB -1.223 30.710 31.823 0.183 0.000 1.244 1198 V HN 0.542 nan 8.190 nan 0.000 0.487 1199 I N 7.554 128.204 120.570 0.133 0.000 2.412 1199 I HA 0.266 4.438 4.170 0.002 0.000 0.279 1199 I C -1.079 175.059 176.117 0.035 0.000 1.063 1199 I CA -1.816 59.530 61.300 0.077 0.000 1.193 1199 I CB 1.597 39.641 38.000 0.073 0.000 1.370 1199 I HN 0.333 nan 8.210 nan 0.000 0.479 1200 P HA -0.158 nan 4.420 nan 0.000 0.216 1200 P C 0.260 177.536 177.300 -0.040 0.000 1.150 1200 P CA 1.266 64.355 63.100 -0.018 0.000 0.837 1200 P CB 0.137 31.832 31.700 -0.009 0.000 0.786 1201 D N -0.510 119.877 120.400 -0.023 0.000 2.313 1201 D HA 0.154 4.796 4.640 0.002 0.000 0.239 1201 D C -1.534 174.746 176.300 -0.034 0.000 1.142 1201 D CA -2.446 51.536 54.000 -0.030 0.000 0.847 1201 D CB 1.134 41.924 40.800 -0.016 0.000 1.082 1201 D HN -0.118 nan 8.370 nan 0.000 0.480 1202 P HA -0.161 nan 4.420 nan 0.000 0.215 1202 P C 1.293 178.567 177.300 -0.043 0.000 1.157 1202 P CA 1.170 64.233 63.100 -0.063 0.000 0.874 1202 P CB 0.167 31.815 31.700 -0.086 0.000 0.790 1203 T N -0.554 113.975 114.554 -0.041 0.000 2.665 1203 T HA -0.148 4.203 4.350 0.002 0.000 0.268 1203 T C 1.665 176.367 174.700 0.004 0.000 1.035 1203 T CA 2.413 64.495 62.100 -0.029 0.000 1.151 1203 T CB -1.252 67.599 68.868 -0.030 0.000 0.862 1203 T HN 0.305 nan 8.240 nan 0.000 0.438 1204 T N 1.246 115.805 114.554 0.008 0.000 2.867 1204 T HA -0.010 4.341 4.350 0.002 0.000 0.268 1204 T C 2.003 176.731 174.700 0.045 0.000 1.057 1204 T CA 0.668 62.784 62.100 0.026 0.000 1.136 1204 T CB -0.152 68.728 68.868 0.020 0.000 0.874 1204 T HN 0.314 nan 8.240 nan 0.000 0.466 1205 R N 1.020 121.544 120.500 0.039 0.000 2.073 1205 R HA 0.041 4.382 4.340 0.002 0.000 0.234 1205 R C 2.953 179.315 176.300 0.104 0.000 1.134 1205 R CA 1.345 57.483 56.100 0.063 0.000 0.952 1205 R CB -0.623 29.699 30.300 0.036 0.000 0.850 1205 R HN 0.469 nan 8.270 nan 0.000 0.433 1206 A N 0.436 123.313 122.820 0.095 0.000 1.883 1206 A HA -0.146 4.175 4.320 0.002 0.000 0.217 1206 A C 2.325 180.077 177.584 0.280 0.000 1.186 1206 A CA 1.569 53.717 52.037 0.185 0.000 0.624 1206 A CB -0.720 18.316 19.000 0.060 0.000 0.822 1206 A HN 0.155 nan 8.150 nan 0.000 0.444 1207 V N -0.098 119.923 119.914 0.177 0.000 2.343 1207 V HA -0.268 3.854 4.120 0.002 0.000 0.247 1207 V C 3.040 179.204 176.094 0.116 0.000 1.051 1207 V CA 1.922 64.313 62.300 0.153 0.000 1.036 1207 V CB -1.165 30.712 31.823 0.090 0.000 0.654 1207 V HN 0.639 nan 8.190 nan 0.000 0.451 1208 A N -1.023 121.856 122.820 0.099 0.000 2.084 1208 A HA -0.293 4.028 4.320 0.002 0.000 0.221 1208 A C 2.056 179.679 177.584 0.064 0.000 1.161 1208 A CA 2.196 54.273 52.037 0.067 0.000 0.653 1208 A CB -0.730 18.312 19.000 0.069 0.000 0.802 1208 A HN 0.583 nan 8.150 nan 0.000 0.457 1209 F N 0.578 120.494 119.950 -0.057 0.000 2.293 1209 F HA -0.007 4.521 4.527 0.002 0.000 0.297 1209 F C 2.083 177.731 175.800 -0.253 0.000 1.089 1209 F CA 1.703 59.591 58.000 -0.186 0.000 1.377 1209 F CB -0.002 38.829 39.000 -0.282 0.000 1.051 1209 F HN 0.379 nan 8.300 nan 0.000 0.511 1210 E N -1.041 119.122 120.200 -0.063 0.000 2.230 1210 E HA -0.091 4.260 4.350 0.002 0.000 0.192 1210 E C 1.852 178.430 176.600 -0.037 0.000 0.987 1210 E CA 1.265 57.650 56.400 -0.025 0.000 0.841 1210 E CB -0.360 29.440 29.700 0.167 0.000 0.783 1210 E HN 0.408 nan 8.360 nan 0.000 0.481 1211 T N -1.962 112.573 114.554 -0.033 0.000 3.160 1211 T HA 0.133 4.484 4.350 0.002 0.000 0.257 1211 T C 1.680 176.328 174.700 -0.088 0.000 1.147 1211 T CA 0.418 62.495 62.100 -0.038 0.000 1.064 1211 T CB 0.011 68.871 68.868 -0.014 0.000 0.949 1211 T HN 0.299 nan 8.240 nan 0.000 0.526 1212 G N 1.731 110.429 108.800 -0.170 0.000 2.175 1212 G HA2 -0.320 3.641 3.960 0.002 0.000 0.265 1212 G HA3 -0.320 3.641 3.960 0.002 0.000 0.265 1212 G C 0.548 175.337 174.900 -0.185 0.000 0.979 1212 G CA 0.484 45.440 45.100 -0.241 0.000 0.663 1212 G HN 0.570 nan 8.290 nan 0.000 0.533 1213 D N 0.187 120.514 120.400 -0.122 0.000 2.084 1213 D HA -0.006 4.635 4.640 0.002 0.000 0.194 1213 D C 1.735 177.989 176.300 -0.076 0.000 0.990 1213 D CA 0.795 54.745 54.000 -0.084 0.000 0.826 1213 D CB 0.021 40.791 40.800 -0.050 0.000 0.971 1213 D HN 0.567 nan 8.370 nan 0.000 0.453 1214 I N 1.877 122.419 120.570 -0.047 0.000 2.529 1214 I HA -0.039 4.132 4.170 0.002 0.000 0.284 1214 I C 1.031 177.153 176.117 0.009 0.000 1.082 1214 I CA 0.043 61.359 61.300 0.027 0.000 1.406 1214 I CB 1.024 39.115 38.000 0.152 0.000 1.405 1214 I HN -0.166 nan 8.210 nan 0.000 0.548 1215 D N 5.319 125.746 120.400 0.044 0.000 2.338 1215 D HA 0.260 4.901 4.640 0.002 0.000 0.208 1215 D C 0.077 176.525 176.300 0.248 0.000 0.997 1215 D CA 0.835 54.876 54.000 0.068 0.000 0.880 1215 D CB 1.096 41.904 40.800 0.014 0.000 0.980 1215 D HN 0.269 nan 8.370 nan 0.000 0.509 1216 L N 0.855 122.212 121.223 0.223 0.000 2.513 1216 L HA 0.365 4.706 4.340 0.002 0.000 0.261 1216 L C -1.802 175.147 176.870 0.132 0.000 0.945 1216 L CA -0.488 54.459 54.840 0.179 0.000 0.848 1216 L CB 2.555 44.704 42.059 0.151 0.000 1.334 1216 L HN -0.246 nan 8.230 nan 0.000 0.407 1217 L N 4.101 125.358 121.223 0.056 0.000 2.381 1217 L HA 0.468 4.809 4.340 0.002 0.000 0.274 1217 L C -1.603 175.332 176.870 0.108 0.000 0.988 1217 L CA -0.499 54.386 54.840 0.076 0.000 0.824 1217 L CB 2.039 44.093 42.059 -0.008 0.000 1.263 1217 L HN 0.466 nan 8.230 nan 0.000 0.410 1218 Y N 3.378 123.692 120.300 0.023 0.000 2.333 1218 Y HA 0.719 5.271 4.550 0.003 0.000 0.324 1218 Y C -0.052 175.873 175.900 0.042 0.000 1.033 1218 Y CA -0.251 57.844 58.100 -0.009 0.000 1.224 1218 Y CB 1.564 39.959 38.460 -0.108 0.000 1.120 1218 Y HN 0.617 nan 8.280 nan 0.000 0.457 1219 G N 4.112 112.859 108.800 -0.087 0.000 2.364 1219 G HA2 0.053 4.014 3.960 0.002 0.000 0.286 1219 G HA3 0.053 4.014 3.960 0.002 0.000 0.286 1219 G C -1.549 173.273 174.900 -0.131 0.000 1.241 1219 G CA -0.342 44.766 45.100 0.013 0.000 0.887 1219 G HN 0.522 nan 8.290 nan 0.000 0.484 1220 N N -0.769 117.878 118.700 -0.088 0.000 3.192 1220 N HA 0.042 4.784 4.740 0.002 0.000 0.177 1220 N C -0.134 175.293 175.510 -0.139 0.000 1.460 1220 N CA 0.321 53.299 53.050 -0.120 0.000 1.146 1220 N CB 0.403 38.858 38.487 -0.053 0.000 1.095 1220 N HN 0.566 nan 8.380 nan 0.000 0.559 1221 E N 1.089 121.219 120.200 -0.117 0.000 2.214 1221 E HA 0.270 4.621 4.350 0.002 0.000 0.291 1221 E C 0.479 176.976 176.600 -0.171 0.000 1.137 1221 E CA 0.403 56.724 56.400 -0.132 0.000 1.175 1221 E CB -0.897 28.738 29.700 -0.110 0.000 1.071 1221 E HN 0.695 nan 8.360 nan 0.000 0.467 1222 G N 1.727 110.428 108.800 -0.164 0.000 2.159 1222 G HA2 -0.375 3.586 3.960 0.002 0.000 0.256 1222 G HA3 -0.375 3.586 3.960 0.002 0.000 0.256 1222 G C 0.678 175.469 174.900 -0.182 0.000 0.977 1222 G CA 0.253 45.254 45.100 -0.166 0.000 0.652 1222 G HN 0.517 nan 8.290 nan 0.000 0.531 1223 L N 0.056 121.165 121.223 -0.190 0.000 1.997 1223 L HA 0.074 4.415 4.340 0.002 0.000 0.227 1223 L C 1.467 178.269 176.870 -0.113 0.000 1.087 1223 L CA 3.091 57.834 54.840 -0.162 0.000 0.797 1223 L CB -0.141 41.849 42.059 -0.116 0.000 0.902 1223 L HN 0.960 nan 8.230 nan 0.000 0.441 1224 L N -5.596 115.565 121.223 -0.104 0.000 2.359 1224 L HA 0.660 5.001 4.340 0.002 0.000 0.256 1224 L C -2.611 174.182 176.870 -0.128 0.000 1.026 1224 L CA -2.176 52.606 54.840 -0.096 0.000 0.828 1224 L CB 0.847 42.867 42.059 -0.064 0.000 1.406 1224 L HN -0.285 nan 8.230 nan 0.000 0.413 1225 P HA 0.123 nan 4.420 nan 0.000 0.268 1225 P C 0.392 177.570 177.300 -0.204 0.000 1.205 1225 P CA -0.400 62.595 63.100 -0.175 0.000 0.771 1225 P CB 0.664 32.250 31.700 -0.190 0.000 0.858 1226 L N 2.822 123.931 121.223 -0.189 0.000 2.083 1226 L HA -0.158 4.183 4.340 0.002 0.000 0.209 1226 L C 1.856 178.561 176.870 -0.275 0.000 1.083 1226 L CA 1.955 56.712 54.840 -0.138 0.000 0.752 1226 L CB -1.360 40.691 42.059 -0.014 0.000 0.899 1226 L HN 0.470 nan 8.230 nan 0.000 0.433 1227 D N -2.402 117.569 120.400 -0.716 0.000 2.117 1227 D HA -0.181 4.460 4.640 0.002 0.000 0.197 1227 D C 1.792 177.810 176.300 -0.470 0.000 0.987 1227 D CA 1.735 55.157 54.000 -0.964 0.000 0.829 1227 D CB -0.931 39.075 40.800 -1.324 0.000 0.961 1227 D HN 0.203 nan 8.370 nan 0.000 0.460 1228 T N -0.028 114.253 114.554 -0.454 0.000 2.720 1228 T HA -0.131 4.220 4.350 0.002 0.000 0.268 1228 T C 1.482 175.745 174.700 -0.729 0.000 1.037 1228 T CA 1.147 62.877 62.100 -0.616 0.000 1.144 1228 T CB -0.667 67.831 68.868 -0.617 0.000 0.864 1228 T HN 0.198 nan 8.240 nan 0.000 0.444 1229 F N 2.182 121.825 119.950 -0.512 0.000 2.095 1229 F HA -0.069 4.459 4.527 0.001 0.000 0.298 1229 F C 2.431 178.139 175.800 -0.154 0.000 1.104 1229 F CA 1.136 58.952 58.000 -0.306 0.000 1.232 1229 F CB -0.596 38.299 39.000 -0.176 0.000 0.987 1229 F HN 0.145 nan 8.300 nan 0.000 0.475 1230 A N 0.313 123.119 122.820 -0.023 0.000 1.930 1230 A HA -0.173 4.148 4.320 0.002 0.000 0.217 1230 A C 2.327 179.871 177.584 -0.067 0.000 1.175 1230 A CA 1.609 53.655 52.037 0.015 0.000 0.627 1230 A CB -0.816 18.264 19.000 0.133 0.000 0.815 1230 A HN 0.490 nan 8.150 nan 0.000 0.443 1231 R N -1.413 119.022 120.500 -0.109 0.000 2.070 1231 R HA -0.120 4.221 4.340 0.002 0.000 0.233 1231 R C 1.802 178.173 176.300 0.119 0.000 1.137 1231 R CA 1.809 57.894 56.100 -0.025 0.000 0.945 1231 R CB -0.461 29.798 30.300 -0.068 0.000 0.845 1231 R HN 0.376 nan 8.270 nan 0.000 0.430 1232 F N 1.371 121.277 119.950 -0.073 0.000 2.120 1232 F HA -0.223 4.306 4.527 0.002 0.000 0.300 1232 F C 2.713 178.432 175.800 -0.134 0.000 1.095 1232 F CA 1.603 59.598 58.000 -0.008 0.000 1.249 1232 F CB -1.391 37.531 39.000 -0.132 0.000 0.995 1232 F HN 0.230 nan 8.300 nan 0.000 0.480 1233 S N -0.651 114.962 115.700 -0.144 0.000 2.500 1233 S HA -0.195 4.276 4.470 0.002 0.000 0.239 1233 S C 1.583 176.161 174.600 -0.037 0.000 0.989 1233 S CA 1.130 59.213 58.200 -0.195 0.000 0.951 1233 S CB -0.488 62.537 63.200 -0.292 0.000 0.759 1233 S HN 0.596 nan 8.310 nan 0.000 0.523 1234 Q N 0.029 119.834 119.800 0.007 0.000 2.352 1234 Q HA 0.271 4.612 4.340 0.002 0.000 0.212 1234 Q C -0.355 175.651 176.000 0.009 0.000 0.888 1234 Q CA -0.177 55.636 55.803 0.017 0.000 0.934 1234 Q CB 0.106 28.857 28.738 0.021 0.000 1.093 1234 Q HN 0.438 nan 8.270 nan 0.000 0.523 1235 N N 1.956 120.663 118.700 0.013 0.000 2.415 1235 N HA 0.073 4.814 4.740 0.002 0.000 0.250 1235 N C -2.095 173.364 175.510 -0.084 0.000 1.127 1235 N CA -1.529 51.472 53.050 -0.082 0.000 0.945 1235 N CB 1.234 39.594 38.487 -0.212 0.000 1.196 1235 N HN -0.055 nan 8.380 nan 0.000 0.499 1236 P HA -0.067 nan 4.420 nan 0.000 0.231 1236 P C 0.566 177.824 177.300 -0.070 0.000 1.158 1236 P CA 0.486 63.562 63.100 -0.039 0.000 0.763 1236 P CB 0.294 31.975 31.700 -0.032 0.000 0.805 1237 A N -1.970 120.736 122.820 -0.190 0.000 1.969 1237 A HA -0.117 4.204 4.320 0.002 0.000 0.218 1237 A C 0.548 178.081 177.584 -0.085 0.000 1.169 1237 A CA 1.178 53.064 52.037 -0.252 0.000 0.635 1237 A CB -0.926 17.765 19.000 -0.516 0.000 0.810 1237 A HN 0.088 nan 8.150 nan 0.000 0.445 1238 Y N -1.303 119.009 120.300 0.021 0.000 2.420 1238 Y HA 0.537 5.088 4.550 0.002 0.000 0.334 1238 Y C 0.132 176.104 175.900 0.121 0.000 1.094 1238 Y CA -2.088 56.061 58.100 0.082 0.000 1.126 1238 Y CB 0.479 38.933 38.460 -0.010 0.000 1.217 1238 Y HN 0.305 nan 8.280 nan 0.000 0.462 1239 H N 1.392 120.595 119.070 0.222 0.000 2.552 1239 H HA 0.519 5.076 4.556 0.002 0.000 0.311 1239 H C -0.689 174.672 175.328 0.054 0.000 1.071 1239 H CA -0.738 55.377 56.048 0.111 0.000 1.307 1239 H CB 0.626 30.449 29.762 0.102 0.000 1.416 1239 H HN 0.704 nan 8.280 nan 0.000 0.464 1240 T N 2.821 117.281 114.554 -0.157 0.000 2.907 1240 T HA 0.646 4.997 4.350 0.002 0.000 0.292 1240 T C -0.860 173.743 174.700 -0.161 0.000 1.043 1240 T CA -1.070 60.896 62.100 -0.223 0.000 1.003 1240 T CB 2.152 70.845 68.868 -0.291 0.000 1.084 1240 T HN 0.736 nan 8.240 nan 0.000 0.483 1241 Q N 1.474 121.291 119.800 0.028 0.000 2.435 1241 Q HA 0.712 5.053 4.340 0.002 0.000 0.282 1241 Q C -1.790 174.368 176.000 0.263 0.000 1.020 1241 Q CA -1.207 54.686 55.803 0.149 0.000 0.820 1241 Q CB 2.217 31.010 28.738 0.091 0.000 1.436 1241 Q HN 0.634 nan 8.270 nan 0.000 0.395 1242 L N 1.820 123.171 121.223 0.212 0.000 2.385 1242 L HA 0.524 4.865 4.340 0.002 0.000 0.273 1242 L C 0.147 177.009 176.870 -0.014 0.000 0.990 1242 L CA -0.760 54.112 54.840 0.055 0.000 0.821 1242 L CB 2.291 44.371 42.059 0.035 0.000 1.279 1242 L HN 0.978 nan 8.230 nan 0.000 0.412 1243 S N 2.444 117.962 115.700 -0.303 0.000 2.625 1243 S HA 0.308 4.779 4.470 0.002 0.000 0.262 1243 S C 0.109 174.531 174.600 -0.296 0.000 1.223 1243 S CA -0.641 57.160 58.200 -0.666 0.000 0.993 1243 S CB 0.855 63.241 63.200 -1.356 0.000 1.051 1243 S HN 0.581 nan 8.310 nan 0.000 0.562 1244 Q N 0.938 120.580 119.800 -0.263 0.000 2.443 1244 Q HA 0.292 4.633 4.340 0.002 0.000 0.232 1244 Q C -2.277 173.625 176.000 -0.163 0.000 1.026 1244 Q CA -1.513 54.202 55.803 -0.148 0.000 0.924 1244 Q CB -0.354 28.324 28.738 -0.101 0.000 1.256 1244 Q HN 0.471 nan 8.270 nan 0.000 0.519 1245 P HA -0.117 nan 4.420 nan 0.000 0.263 1245 P C 0.225 177.455 177.300 -0.116 0.000 1.175 1245 P CA 0.661 63.702 63.100 -0.100 0.000 0.761 1245 P CB 0.297 31.895 31.700 -0.170 0.000 0.794 1246 I N 0.216 120.741 120.570 -0.076 0.000 4.403 1246 I HA 0.422 4.593 4.170 0.002 0.000 0.331 1246 I C -0.096 176.026 176.117 0.009 0.000 1.327 1246 I CA 0.636 61.910 61.300 -0.043 0.000 1.175 1246 I CB 0.146 38.120 38.000 -0.045 0.000 1.165 1246 I HN 0.260 nan 8.210 nan 0.000 0.413 1247 E N 0.642 120.856 120.200 0.023 0.000 2.388 1247 E HA 0.361 4.712 4.350 0.002 0.000 0.280 1247 E C -1.213 175.449 176.600 0.102 0.000 1.019 1247 E CA -0.388 56.044 56.400 0.053 0.000 0.806 1247 E CB 2.263 31.987 29.700 0.040 0.000 1.246 1247 E HN 0.173 nan 8.360 nan 0.000 0.443 1248 T N 0.143 114.729 114.554 0.055 0.000 2.859 1248 T HA 0.519 4.871 4.350 0.002 0.000 0.281 1248 T C -1.064 173.612 174.700 -0.039 0.000 1.005 1248 T CA -0.594 61.547 62.100 0.068 0.000 1.025 1248 T CB 1.345 70.303 68.868 0.150 0.000 0.977 1248 T HN 0.194 nan 8.240 nan 0.000 0.458 1249 V N 7.735 127.628 119.914 -0.035 0.000 2.439 1249 V HA 0.783 4.904 4.120 0.002 0.000 0.282 1249 V C -0.257 175.822 176.094 -0.025 0.000 1.039 1249 V CA -0.549 61.751 62.300 0.000 0.000 0.913 1249 V CB 0.778 32.621 31.823 0.033 0.000 0.983 1249 V HN 1.058 nan 8.190 nan 0.000 0.460 1250 M N 6.767 126.379 119.600 0.021 0.000 2.644 1250 M HA 0.595 5.077 4.480 0.002 0.000 0.273 1250 M C -2.326 173.968 176.300 -0.011 0.000 1.253 1250 M CA -0.855 54.434 55.300 -0.018 0.000 0.852 1250 M CB 2.316 34.879 32.600 -0.062 0.000 1.708 1250 M HN 0.405 nan 8.290 nan 0.000 0.471 1251 L N 2.196 123.366 121.223 -0.088 0.000 2.307 1251 L HA 0.771 5.112 4.340 0.002 0.000 0.282 1251 L C 0.223 177.139 176.870 0.077 0.000 1.051 1251 L CA -0.856 53.902 54.840 -0.137 0.000 0.804 1251 L CB 1.453 43.359 42.059 -0.254 0.000 1.197 1251 L HN 0.890 nan 8.230 nan 0.000 0.431 1252 A N 3.878 126.731 122.820 0.055 0.000 2.301 1252 A HA 0.631 4.952 4.320 0.002 0.000 0.298 1252 A C -0.592 176.975 177.584 -0.029 0.000 1.185 1252 A CA -0.472 51.586 52.037 0.035 0.000 0.830 1252 A CB 0.492 19.419 19.000 -0.121 0.000 1.112 1252 A HN 0.442 nan 8.150 nan 0.000 0.508 1253 L N 2.437 123.606 121.223 -0.090 0.000 2.295 1253 L HA 0.319 4.660 4.340 0.002 0.000 0.285 1253 L C 0.359 177.204 176.870 -0.041 0.000 1.035 1253 L CA -0.559 54.246 54.840 -0.058 0.000 0.806 1253 L CB 0.974 42.962 42.059 -0.118 0.000 1.214 1253 L HN 0.753 nan 8.230 nan 0.000 0.426 1254 N N 1.189 119.878 118.700 -0.019 0.000 2.421 1254 N HA -0.013 4.729 4.740 0.002 0.000 0.260 1254 N C 1.113 176.532 175.510 -0.153 0.000 1.173 1254 N CA 0.197 53.161 53.050 -0.143 0.000 0.960 1254 N CB 0.713 38.978 38.487 -0.370 0.000 1.273 1254 N HN 0.716 nan 8.380 nan 0.000 0.497 1255 T N -0.067 114.399 114.554 -0.147 0.000 3.113 1255 T HA 0.041 4.393 4.350 0.002 0.000 0.263 1255 T C 1.235 175.860 174.700 -0.125 0.000 1.143 1255 T CA 0.688 62.711 62.100 -0.128 0.000 1.090 1255 T CB 0.068 68.859 68.868 -0.127 0.000 0.922 1255 T HN 0.325 nan 8.240 nan 0.000 0.521 1256 A N 0.234 122.960 122.820 -0.157 0.000 2.308 1256 A HA 0.427 4.748 4.320 0.002 0.000 0.217 1256 A C 0.803 178.311 177.584 -0.127 0.000 1.216 1256 A CA -0.283 51.670 52.037 -0.141 0.000 0.864 1256 A CB 0.039 18.942 19.000 -0.162 0.000 0.902 1256 A HN 0.512 nan 8.150 nan 0.000 0.499 1257 K N 0.127 120.447 120.400 -0.133 0.000 2.422 1257 K HA 0.651 4.972 4.320 0.002 0.000 0.251 1257 K C -0.429 176.133 176.600 -0.063 0.000 0.933 1257 K CA -0.566 55.656 56.287 -0.108 0.000 0.798 1257 K CB 1.850 34.254 32.500 -0.161 0.000 1.238 1257 K HN 0.126 nan 8.250 nan 0.000 0.428 1258 A N 3.699 126.508 122.820 -0.019 0.000 2.425 1258 A HA 0.244 4.566 4.320 0.002 0.000 0.242 1258 A C -1.692 175.899 177.584 0.012 0.000 1.077 1258 A CA -0.883 51.175 52.037 0.036 0.000 0.781 1258 A CB -0.106 18.949 19.000 0.093 0.000 1.020 1258 A HN 0.733 nan 8.150 nan 0.000 0.494 1259 P HA -0.005 nan 4.420 nan 0.000 0.255 1259 P C 0.903 178.176 177.300 -0.046 0.000 1.248 1259 P CA 1.035 64.148 63.100 0.022 0.000 0.807 1259 P CB -0.129 31.453 31.700 -0.197 0.000 1.150 1260 T N -1.648 112.860 114.554 -0.077 0.000 3.098 1260 T HA -0.093 4.258 4.350 0.002 0.000 0.266 1260 T C 1.428 176.087 174.700 -0.068 0.000 1.145 1260 T CA 0.718 62.765 62.100 -0.087 0.000 1.092 1260 T CB -1.068 67.744 68.868 -0.093 0.000 0.908 1260 T HN 0.163 nan 8.240 nan 0.000 0.526 1261 N N 1.414 120.088 118.700 -0.042 0.000 2.494 1261 N HA -0.061 4.681 4.740 0.002 0.000 0.182 1261 N C 0.166 175.669 175.510 -0.013 0.000 1.076 1261 N CA 0.188 53.215 53.050 -0.039 0.000 0.908 1261 N CB -0.301 38.166 38.487 -0.034 0.000 0.967 1261 N HN 0.539 nan 8.380 nan 0.000 0.449 1262 E N 0.497 120.708 120.200 0.018 0.000 2.223 1262 E HA 0.041 4.392 4.350 0.002 0.000 0.282 1262 E C 0.716 177.320 176.600 0.007 0.000 1.046 1262 E CA -0.485 55.942 56.400 0.044 0.000 0.857 1262 E CB 1.608 31.386 29.700 0.130 0.000 1.055 1262 E HN 0.042 nan 8.360 nan 0.000 0.409 1263 L N 4.644 125.867 121.223 0.000 0.000 2.013 1263 L HA -0.274 4.067 4.340 0.002 0.000 0.212 1263 L C 2.043 178.908 176.870 -0.009 0.000 1.073 1263 L CA 2.576 57.406 54.840 -0.017 0.000 0.753 1263 L CB -0.573 41.479 42.059 -0.012 0.000 0.890 1263 L HN 0.700 nan 8.230 nan 0.000 0.432 1264 A N -1.350 121.485 122.820 0.025 0.000 1.902 1264 A HA -0.143 4.179 4.320 0.002 0.000 0.217 1264 A C 2.272 179.866 177.584 0.017 0.000 1.181 1264 A CA 1.934 53.996 52.037 0.042 0.000 0.623 1264 A CB -1.106 17.945 19.000 0.086 0.000 0.818 1264 A HN 0.332 nan 8.150 nan 0.000 0.443 1265 V N 0.140 120.050 119.914 -0.006 0.000 2.255 1265 V HA -0.298 3.824 4.120 0.002 0.000 0.247 1265 V C 2.662 178.702 176.094 -0.090 0.000 1.051 1265 V CA 2.363 64.606 62.300 -0.094 0.000 1.018 1265 V CB -0.809 30.914 31.823 -0.167 0.000 0.641 1265 V HN 0.544 nan 8.190 nan 0.000 0.445 1266 R N -0.332 120.120 120.500 -0.080 0.000 2.092 1266 R HA -0.152 4.189 4.340 0.002 0.000 0.231 1266 R C 2.282 178.518 176.300 -0.107 0.000 1.119 1266 R CA 1.495 57.537 56.100 -0.098 0.000 0.970 1266 R CB -0.299 29.939 30.300 -0.103 0.000 0.864 1266 R HN 0.636 nan 8.270 nan 0.000 0.440 1267 E N 0.695 120.840 120.200 -0.091 0.000 2.077 1267 E HA -0.178 4.173 4.350 0.002 0.000 0.193 1267 E C 2.105 178.665 176.600 -0.066 0.000 0.989 1267 E CA 1.183 57.508 56.400 -0.125 0.000 0.800 1267 E CB -0.117 29.551 29.700 -0.055 0.000 0.746 1267 E HN 0.345 nan 8.360 nan 0.000 0.452 1268 A N 1.402 124.239 122.820 0.029 0.000 1.883 1268 A HA -0.188 4.133 4.320 0.002 0.000 0.217 1268 A C 2.237 179.847 177.584 0.044 0.000 1.186 1268 A CA 1.238 53.332 52.037 0.096 0.000 0.624 1268 A CB -0.800 18.217 19.000 0.029 0.000 0.822 1268 A HN 0.140 nan 8.150 nan 0.000 0.444 1269 L N -0.171 121.030 121.223 -0.036 0.000 2.079 1269 L HA -0.216 4.125 4.340 0.002 0.000 0.210 1269 L C 2.118 178.961 176.870 -0.044 0.000 1.081 1269 L CA 1.313 56.124 54.840 -0.048 0.000 0.752 1269 L CB -0.749 41.260 42.059 -0.084 0.000 0.896 1269 L HN 0.431 nan 8.230 nan 0.000 0.433 1270 N N -0.836 117.804 118.700 -0.100 0.000 2.520 1270 N HA -0.153 4.588 4.740 0.002 0.000 0.185 1270 N C 1.297 176.722 175.510 -0.142 0.000 1.068 1270 N CA 1.088 54.043 53.050 -0.158 0.000 0.911 1270 N CB 0.110 38.439 38.487 -0.263 0.000 0.961 1270 N HN 0.379 nan 8.380 nan 0.000 0.446 1271 Y N 0.001 120.291 120.300 -0.017 0.000 2.449 1271 Y HA 0.293 4.844 4.550 0.002 0.000 0.254 1271 Y C 1.979 177.902 175.900 0.040 0.000 1.140 1271 Y CA -0.422 57.676 58.100 -0.002 0.000 1.272 1271 Y CB 0.076 38.513 38.460 -0.038 0.000 1.114 1271 Y HN -0.024 nan 8.280 nan 0.000 0.525 1272 A N -0.026 122.907 122.820 0.189 0.000 1.975 1272 A HA 0.128 4.449 4.320 0.002 0.000 0.215 1272 A C 0.835 178.572 177.584 0.254 0.000 1.170 1272 A CA 0.756 52.897 52.037 0.174 0.000 0.656 1272 A CB -0.787 18.259 19.000 0.077 0.000 0.821 1272 A HN 0.040 nan 8.150 nan 0.000 0.449 1273 V N -0.909 119.104 119.914 0.165 0.000 2.509 1273 V HA 0.452 4.574 4.120 0.002 0.000 0.284 1273 V C -0.285 175.784 176.094 -0.042 0.000 1.047 1273 V CA -1.044 61.284 62.300 0.047 0.000 0.952 1273 V CB 1.167 32.977 31.823 -0.021 0.000 0.988 1273 V HN 0.308 nan 8.190 nan 0.000 0.469 1274 N N 3.645 122.125 118.700 -0.367 0.000 2.521 1274 N HA 0.253 4.994 4.740 0.002 0.000 0.236 1274 N C 0.654 175.974 175.510 -0.317 0.000 1.067 1274 N CA -0.038 52.586 53.050 -0.711 0.000 0.939 1274 N CB 0.928 38.726 38.487 -1.149 0.000 1.201 1274 N HN 0.806 nan 8.380 nan 0.000 0.511 1275 K N 2.028 122.320 120.400 -0.179 0.000 2.103 1275 K HA -0.125 4.196 4.320 0.002 0.000 0.204 1275 K C 1.470 177.992 176.600 -0.130 0.000 1.052 1275 K CA 1.004 57.213 56.287 -0.129 0.000 0.945 1275 K CB 0.186 32.628 32.500 -0.097 0.000 0.722 1275 K HN 0.243 nan 8.250 nan 0.000 0.443 1276 K N 1.082 121.409 120.400 -0.122 0.000 2.026 1276 K HA -0.118 4.203 4.320 0.002 0.000 0.208 1276 K C 2.171 178.695 176.600 -0.126 0.000 1.048 1276 K CA 1.765 57.991 56.287 -0.102 0.000 0.929 1276 K CB -0.612 31.842 32.500 -0.076 0.000 0.713 1276 K HN -0.021 nan 8.250 nan 0.000 0.439 1277 S N -0.008 115.593 115.700 -0.165 0.000 2.383 1277 S HA -0.130 4.341 4.470 0.002 0.000 0.229 1277 S C 1.874 176.378 174.600 -0.159 0.000 1.030 1277 S CA 1.396 59.497 58.200 -0.165 0.000 1.002 1277 S CB -0.396 62.682 63.200 -0.203 0.000 0.829 1277 S HN 0.450 nan 8.310 nan 0.000 0.467 1278 L N 0.506 121.634 121.223 -0.157 0.000 2.046 1278 L HA -0.018 4.323 4.340 0.002 0.000 0.208 1278 L C 2.174 178.962 176.870 -0.136 0.000 1.077 1278 L CA 1.547 56.305 54.840 -0.137 0.000 0.747 1278 L CB -0.321 41.668 42.059 -0.116 0.000 0.896 1278 L HN 0.385 nan 8.230 nan 0.000 0.432 1279 I N 0.108 120.603 120.570 -0.126 0.000 2.142 1279 I HA -0.304 3.867 4.170 0.002 0.000 0.240 1279 I C 2.106 178.140 176.117 -0.140 0.000 1.078 1279 I CA 1.432 62.664 61.300 -0.113 0.000 1.343 1279 I CB -0.499 37.447 38.000 -0.090 0.000 1.046 1279 I HN 0.310 nan 8.210 nan 0.000 0.405 1280 D N 0.734 121.047 120.400 -0.145 0.000 2.123 1280 D HA -0.165 4.476 4.640 0.002 0.000 0.196 1280 D C 1.906 178.017 176.300 -0.314 0.000 0.992 1280 D CA 1.250 55.144 54.000 -0.177 0.000 0.833 1280 D CB -0.403 40.317 40.800 -0.133 0.000 0.954 1280 D HN 0.341 nan 8.370 nan 0.000 0.455 1281 N N -0.076 118.448 118.700 -0.293 0.000 2.251 1281 N HA 0.021 4.762 4.740 0.002 0.000 0.181 1281 N C 1.554 176.779 175.510 -0.475 0.000 1.019 1281 N CA 0.963 53.796 53.050 -0.361 0.000 0.862 1281 N CB 0.169 38.526 38.487 -0.216 0.000 0.992 1281 N HN 0.092 nan 8.380 nan 0.000 0.429 1282 A N 0.067 122.702 122.820 -0.308 0.000 2.115 1282 A HA 0.279 4.600 4.320 0.002 0.000 0.211 1282 A C 1.613 179.146 177.584 -0.085 0.000 1.169 1282 A CA 0.228 52.154 52.037 -0.186 0.000 0.787 1282 A CB 0.152 19.084 19.000 -0.113 0.000 0.858 1282 A HN 0.148 nan 8.150 nan 0.000 0.474 1283 L N -2.800 118.354 121.223 -0.116 0.000 3.016 1283 L HA 0.267 4.608 4.340 0.002 0.000 0.267 1283 L C -0.286 176.657 176.870 0.123 0.000 1.182 1283 L CA -0.354 54.507 54.840 0.034 0.000 0.997 1283 L CB -0.059 41.980 42.059 -0.033 0.000 1.354 1283 L HN 0.359 nan 8.230 nan 0.000 0.569 1284 Y N 0.843 121.119 120.300 -0.039 0.000 3.491 1284 Y HA -0.272 4.279 4.550 0.003 0.000 0.215 1284 Y C 1.602 177.505 175.900 0.005 0.000 1.219 1284 Y CA 0.832 58.923 58.100 -0.015 0.000 1.485 1284 Y CB -2.083 36.373 38.460 -0.007 0.000 1.450 1284 Y HN 0.460 nan 8.280 nan 0.000 0.603 1285 G N -1.286 107.525 108.800 0.019 0.000 2.168 1285 G HA2 -0.384 3.577 3.960 0.002 0.000 0.263 1285 G HA3 -0.384 3.577 3.960 0.002 0.000 0.263 1285 G C 0.850 175.780 174.900 0.050 0.000 0.977 1285 G CA 1.091 46.207 45.100 0.028 0.000 0.659 1285 G HN 1.113 nan 8.290 nan 0.000 0.533 1286 T N -2.695 111.887 114.554 0.046 0.000 3.129 1286 T HA 0.449 4.800 4.350 0.002 0.000 0.251 1286 T C 0.759 175.428 174.700 -0.051 0.000 1.117 1286 T CA 1.102 63.202 62.100 -0.000 0.000 1.034 1286 T CB 0.385 69.206 68.868 -0.078 0.000 0.968 1286 T HN 0.604 nan 8.240 nan 0.000 0.526 1287 Q N 0.350 120.128 119.800 -0.036 0.000 2.451 1287 Q HA 0.476 4.817 4.340 0.002 0.000 0.281 1287 Q C -1.055 174.931 176.000 -0.024 0.000 1.099 1287 Q CA -0.938 54.842 55.803 -0.039 0.000 0.806 1287 Q CB 2.221 30.924 28.738 -0.057 0.000 1.419 1287 Q HN 0.355 nan 8.270 nan 0.000 0.427 1288 Q N 0.325 120.125 119.800 0.000 0.000 2.226 1288 Q HA 0.419 4.760 4.340 0.002 0.000 0.256 1288 Q C -0.676 175.272 176.000 -0.087 0.000 0.962 1288 Q CA -0.714 55.095 55.803 0.010 0.000 0.887 1288 Q CB 1.934 30.737 28.738 0.109 0.000 1.282 1288 Q HN 0.324 nan 8.270 nan 0.000 0.449 1289 V N 1.768 121.630 119.914 -0.086 0.000 2.540 1289 V HA 0.085 4.206 4.120 0.002 0.000 0.297 1289 V C 0.003 175.916 176.094 -0.301 0.000 1.024 1289 V CA 0.126 62.334 62.300 -0.154 0.000 1.105 1289 V CB 0.424 32.202 31.823 -0.076 0.000 0.938 1289 V HN 0.797 nan 8.190 nan 0.000 0.482 1290 A N 4.073 126.578 122.820 -0.525 0.000 2.260 1290 A HA 0.415 4.736 4.320 0.002 0.000 0.308 1290 A C 0.722 178.150 177.584 -0.261 0.000 1.254 1290 A CA -0.561 50.980 52.037 -0.826 0.000 0.874 1290 A CB 0.184 18.460 19.000 -1.206 0.000 1.153 1290 A HN 0.877 nan 8.150 nan 0.000 0.527 1291 D N 1.151 121.522 120.400 -0.048 0.000 2.301 1291 D HA 0.024 4.665 4.640 0.002 0.000 0.206 1291 D C 0.553 176.937 176.300 0.140 0.000 0.979 1291 D CA 1.680 55.718 54.000 0.063 0.000 0.874 1291 D CB 0.442 41.299 40.800 0.095 0.000 0.968 1291 D HN 0.685 nan 8.370 nan 0.000 0.510 1292 T N -1.673 112.966 114.554 0.141 0.000 2.896 1292 T HA 0.275 4.627 4.350 0.002 0.000 0.297 1292 T C 0.887 175.624 174.700 0.060 0.000 1.108 1292 T CA -0.812 61.361 62.100 0.121 0.000 1.004 1292 T CB 2.344 71.215 68.868 0.005 0.000 1.159 1292 T HN -0.196 nan 8.240 nan 0.000 0.499 1293 L N 0.524 121.707 121.223 -0.068 0.000 1.997 1293 L HA 0.168 4.509 4.340 0.002 0.000 0.216 1293 L C -0.012 176.459 176.870 -0.666 0.000 1.074 1293 L CA 1.788 56.354 54.840 -0.457 0.000 0.763 1293 L CB -0.787 40.930 42.059 -0.569 0.000 0.890 1293 L HN 0.716 nan 8.230 nan 0.000 0.434 1294 F N -0.303 119.594 119.950 -0.089 0.000 2.458 1294 F HA 0.609 5.138 4.527 0.002 0.000 0.336 1294 F C 0.784 176.477 175.800 -0.177 0.000 1.114 1294 F CA -0.768 57.146 58.000 -0.143 0.000 0.987 1294 F CB 0.716 39.614 39.000 -0.170 0.000 1.130 1294 F HN 0.024 nan 8.300 nan 0.000 0.458 1295 A N 4.262 126.901 122.820 -0.302 0.000 2.520 1295 A HA 0.231 4.552 4.320 0.002 0.000 0.235 1295 A C -1.684 175.749 177.584 -0.252 0.000 1.065 1295 A CA -1.003 50.635 52.037 -0.665 0.000 0.764 1295 A CB -0.167 18.087 19.000 -1.244 0.000 1.002 1295 A HN 0.610 nan 8.150 nan 0.000 0.502 1296 P HA -0.122 nan 4.420 nan 0.000 0.223 1296 P C 1.301 178.536 177.300 -0.109 0.000 1.144 1296 P CA 1.756 64.798 63.100 -0.096 0.000 0.783 1296 P CB 0.016 31.679 31.700 -0.062 0.000 0.771 1297 S N -2.306 113.308 115.700 -0.144 0.000 2.527 1297 S HA 0.036 4.507 4.470 0.002 0.000 0.222 1297 S C 0.880 175.409 174.600 -0.118 0.000 0.985 1297 S CA -0.116 58.012 58.200 -0.120 0.000 0.921 1297 S CB -1.083 62.045 63.200 -0.120 0.000 0.772 1297 S HN -0.125 nan 8.310 nan 0.000 0.529 1298 V N 4.213 124.050 119.914 -0.128 0.000 2.655 1298 V HA 0.198 4.319 4.120 0.002 0.000 0.300 1298 V C -2.151 173.842 176.094 -0.169 0.000 1.044 1298 V CA -1.660 60.560 62.300 -0.133 0.000 1.095 1298 V CB 0.026 31.760 31.823 -0.149 0.000 0.952 1298 V HN 0.236 nan 8.190 nan 0.000 0.485 1299 P HA -0.027 nan 4.420 nan 0.000 0.261 1299 P C -0.305 176.830 177.300 -0.276 0.000 1.173 1299 P CA 0.651 63.593 63.100 -0.264 0.000 0.760 1299 P CB -0.118 31.515 31.700 -0.112 0.000 0.783 1300 Y N 0.647 120.862 120.300 -0.143 0.000 4.929 1300 Y HA -0.289 4.262 4.550 0.002 0.000 0.253 1300 Y C 1.396 177.220 175.900 -0.126 0.000 0.946 1300 Y CA 1.113 59.129 58.100 -0.140 0.000 1.905 1300 Y CB -2.590 35.691 38.460 -0.299 0.000 1.400 1300 Y HN 0.489 nan 8.280 nan 0.000 0.531 1301 A N -0.629 122.157 122.820 -0.056 0.000 2.470 1301 A HA 0.324 4.646 4.320 0.002 0.000 0.251 1301 A C 0.847 178.425 177.584 -0.010 0.000 1.245 1301 A CA 0.231 52.259 52.037 -0.014 0.000 0.932 1301 A CB -0.010 18.980 19.000 -0.018 0.000 1.037 1301 A HN 0.245 nan 8.150 nan 0.000 0.522 1302 N N 1.349 120.033 118.700 -0.027 0.000 3.124 1302 N HA 0.360 5.101 4.740 0.002 0.000 0.284 1302 N C -0.447 175.063 175.510 -0.001 0.000 1.209 1302 N CA 0.268 53.303 53.050 -0.025 0.000 1.149 1302 N CB -0.550 37.912 38.487 -0.042 0.000 1.434 1302 N HN 0.412 nan 8.380 nan 0.000 0.529 1303 L N -0.838 120.388 121.223 0.005 0.000 2.421 1303 L HA 0.622 4.963 4.340 0.002 0.000 0.267 1303 L C 1.376 178.247 176.870 0.002 0.000 1.036 1303 L CA -1.239 53.612 54.840 0.018 0.000 0.829 1303 L CB 1.135 43.211 42.059 0.028 0.000 1.437 1303 L HN 0.285 nan 8.230 nan 0.000 0.488 1304 G N 0.803 109.607 108.800 0.007 0.000 4.294 1304 G HA2 0.395 4.356 3.960 0.002 0.000 0.301 1304 G HA3 0.395 4.356 3.960 0.002 0.000 0.301 1304 G C 0.001 174.890 174.900 -0.018 0.000 1.321 1304 G CA -0.352 44.748 45.100 -0.001 0.000 1.190 1304 G HN 0.209 nan 8.290 nan 0.000 0.600 1305 L N 0.400 121.580 121.223 -0.072 0.000 2.483 1305 L HA 0.135 4.476 4.340 0.002 0.000 0.276 1305 L C 1.215 178.043 176.870 -0.070 0.000 1.213 1305 L CA -0.206 54.547 54.840 -0.145 0.000 0.843 1305 L CB 0.665 42.444 42.059 -0.466 0.000 1.107 1305 L HN 0.142 nan 8.230 nan 0.000 0.487 1306 K N 3.832 124.264 120.400 0.054 0.000 2.491 1306 K HA 0.055 4.377 4.320 0.002 0.000 0.279 1306 K C -2.135 174.564 176.600 0.165 0.000 1.026 1306 K CA -1.199 55.166 56.287 0.129 0.000 1.070 1306 K CB 0.450 33.059 32.500 0.182 0.000 0.887 1306 K HN 0.237 nan 8.250 nan 0.000 0.481 1307 P HA -0.041 nan 4.420 nan 0.000 0.270 1307 P C -0.640 176.729 177.300 0.115 0.000 1.223 1307 P CA -0.266 62.895 63.100 0.103 0.000 0.785 1307 P CB 0.618 32.365 31.700 0.078 0.000 0.923 1308 S N 0.825 116.581 115.700 0.094 0.000 2.652 1308 S HA 0.447 4.918 4.470 0.002 0.000 0.270 1308 S C -0.361 174.292 174.600 0.089 0.000 1.243 1308 S CA -0.523 57.706 58.200 0.047 0.000 0.999 1308 S CB 0.629 63.841 63.200 0.020 0.000 0.973 1308 S HN 0.376 nan 8.310 nan 0.000 0.544 1309 Q N 0.549 120.431 119.800 0.137 0.000 2.416 1309 Q HA 0.285 4.627 4.340 0.002 0.000 0.281 1309 Q C -1.842 174.340 176.000 0.304 0.000 1.067 1309 Q CA -0.592 55.347 55.803 0.226 0.000 0.809 1309 Q CB 1.868 30.778 28.738 0.287 0.000 1.418 1309 Q HN 0.870 nan 8.270 nan 0.000 0.411 1310 Y N 1.975 122.344 120.300 0.114 0.000 2.425 1310 Y HA 0.352 4.901 4.550 -0.001 0.000 0.347 1310 Y C -0.905 175.034 175.900 0.066 0.000 0.976 1310 Y CA -0.495 57.657 58.100 0.087 0.000 1.190 1310 Y CB 0.575 39.054 38.460 0.032 0.000 1.136 1310 Y HN 0.451 nan 8.280 nan 0.000 0.517 1311 D N 8.880 129.139 120.400 -0.235 0.000 2.586 1311 D HA 0.249 4.891 4.640 0.002 0.000 0.254 1311 D C -2.381 173.682 176.300 -0.396 0.000 1.248 1311 D CA -1.725 52.027 54.000 -0.412 0.000 0.843 1311 D CB 1.596 42.134 40.800 -0.437 0.000 1.332 1311 D HN 0.271 nan 8.370 nan 0.000 0.523 1312 P HA -0.175 nan 4.420 nan 0.000 0.216 1312 P C 1.198 178.376 177.300 -0.202 0.000 1.153 1312 P CA 1.377 64.334 63.100 -0.238 0.000 0.858 1312 P CB 0.546 32.113 31.700 -0.222 0.000 0.789 1313 Q N -0.009 119.652 119.800 -0.231 0.000 2.084 1313 Q HA -0.139 4.203 4.340 0.002 0.000 0.202 1313 Q C 1.998 177.874 176.000 -0.206 0.000 0.978 1313 Q CA 1.575 57.269 55.803 -0.181 0.000 0.844 1313 Q CB -0.935 27.705 28.738 -0.163 0.000 0.898 1313 Q HN 0.301 nan 8.270 nan 0.000 0.426 1314 K N 0.186 120.384 120.400 -0.337 0.000 2.097 1314 K HA -0.014 4.307 4.320 0.002 0.000 0.206 1314 K C 2.087 178.530 176.600 -0.261 0.000 1.049 1314 K CA 1.076 57.117 56.287 -0.409 0.000 0.933 1314 K CB -0.222 31.753 32.500 -0.875 0.000 0.717 1314 K HN 0.234 nan 8.250 nan 0.000 0.442 1315 A N 1.925 124.621 122.820 -0.207 0.000 1.898 1315 A HA -0.184 4.137 4.320 0.002 0.000 0.216 1315 A C 1.917 179.492 177.584 -0.014 0.000 1.181 1315 A CA 1.460 53.494 52.037 -0.004 0.000 0.620 1315 A CB -0.254 18.772 19.000 0.043 0.000 0.819 1315 A HN 0.183 nan 8.150 nan 0.000 0.442 1316 K N -0.263 120.109 120.400 -0.047 0.000 2.057 1316 K HA -0.066 4.255 4.320 0.002 0.000 0.207 1316 K C 2.282 178.878 176.600 -0.007 0.000 1.049 1316 K CA 1.158 57.432 56.287 -0.023 0.000 0.931 1316 K CB -0.330 32.149 32.500 -0.035 0.000 0.714 1316 K HN 0.435 nan 8.250 nan 0.000 0.440 1317 A N 1.309 124.110 122.820 -0.031 0.000 1.933 1317 A HA -0.130 4.191 4.320 0.002 0.000 0.218 1317 A C 2.108 179.703 177.584 0.019 0.000 1.175 1317 A CA 1.196 53.225 52.037 -0.013 0.000 0.628 1317 A CB -0.571 18.405 19.000 -0.039 0.000 0.814 1317 A HN 0.160 nan 8.150 nan 0.000 0.444 1318 L N -1.022 120.218 121.223 0.028 0.000 2.017 1318 L HA -0.175 4.166 4.340 0.002 0.000 0.208 1318 L C 2.453 179.378 176.870 0.092 0.000 1.073 1318 L CA 0.768 55.645 54.840 0.062 0.000 0.745 1318 L CB -0.404 41.706 42.059 0.085 0.000 0.894 1318 L HN 0.288 nan 8.230 nan 0.000 0.432 1319 L N -0.189 121.088 121.223 0.090 0.000 2.056 1319 L HA -0.212 4.129 4.340 0.002 0.000 0.207 1319 L C 2.533 179.532 176.870 0.216 0.000 1.078 1319 L CA 1.685 56.623 54.840 0.163 0.000 0.749 1319 L CB -1.090 41.021 42.059 0.087 0.000 0.901 1319 L HN 0.272 nan 8.230 nan 0.000 0.433 1320 E N 0.203 120.477 120.200 0.123 0.000 2.058 1320 E HA -0.273 4.078 4.350 0.002 0.000 0.194 1320 E C 2.304 178.947 176.600 0.071 0.000 0.997 1320 E CA 1.718 58.174 56.400 0.092 0.000 0.801 1320 E CB -0.156 29.573 29.700 0.049 0.000 0.746 1320 E HN 0.301 nan 8.360 nan 0.000 0.450 1321 K N -0.547 119.890 120.400 0.061 0.000 2.103 1321 K HA -0.094 4.228 4.320 0.002 0.000 0.207 1321 K C 1.621 178.249 176.600 0.048 0.000 1.048 1321 K CA 1.294 57.606 56.287 0.043 0.000 0.930 1321 K CB -0.247 32.275 32.500 0.037 0.000 0.716 1321 K HN 0.208 nan 8.250 nan 0.000 0.444 1322 A N -0.196 122.683 122.820 0.098 0.000 2.259 1322 A HA 0.219 4.540 4.320 0.002 0.000 0.208 1322 A C 1.159 178.740 177.584 -0.005 0.000 1.201 1322 A CA 0.742 52.841 52.037 0.104 0.000 0.824 1322 A CB -0.323 18.824 19.000 0.245 0.000 0.838 1322 A HN 0.563 nan 8.150 nan 0.000 0.485 1323 G N -2.656 106.125 108.800 -0.031 0.000 2.157 1323 G HA2 -0.253 3.708 3.960 0.002 0.000 0.239 1323 G HA3 -0.253 3.708 3.960 0.002 0.000 0.239 1323 G C -0.227 174.526 174.900 -0.244 0.000 0.982 1323 G CA -0.040 44.960 45.100 -0.168 0.000 0.650 1323 G HN 0.467 nan 8.290 nan 0.000 0.527 1324 W N 2.219 123.514 121.300 -0.008 0.000 2.316 1324 W HA 0.577 5.239 4.660 0.002 0.000 0.339 1324 W C 0.918 177.432 176.519 -0.008 0.000 1.002 1324 W CA 0.079 57.419 57.345 -0.008 0.000 1.465 1324 W CB 0.742 30.198 29.460 -0.007 0.000 1.300 1324 W HN 0.372 nan 8.180 nan 0.000 0.378 1325 T N -0.247 114.396 114.554 0.150 0.000 2.942 1325 T HA 0.684 5.035 4.350 0.002 0.000 0.289 1325 T C -0.447 174.305 174.700 0.087 0.000 1.044 1325 T CA -1.046 61.110 62.100 0.093 0.000 1.023 1325 T CB 1.218 70.108 68.868 0.036 0.000 1.123 1325 T HN 0.146 nan 8.240 nan 0.000 0.512 1326 L N 2.245 123.504 121.223 0.060 0.000 2.313 1326 L HA 0.365 4.706 4.340 0.002 0.000 0.282 1326 L C -2.076 174.815 176.870 0.035 0.000 1.092 1326 L CA -1.903 52.967 54.840 0.049 0.000 0.831 1326 L CB 0.162 42.242 42.059 0.035 0.000 1.159 1326 L HN 0.519 nan 8.230 nan 0.000 0.442 1327 P HA 0.063 nan 4.420 nan 0.000 0.269 1327 P C -0.457 176.854 177.300 0.018 0.000 1.209 1327 P CA -0.395 62.719 63.100 0.023 0.000 0.776 1327 P CB 0.630 32.345 31.700 0.025 0.000 0.876 1328 A N 3.032 125.859 122.820 0.012 0.000 2.591 1328 A HA 0.314 4.635 4.320 0.002 0.000 0.244 1328 A C 1.608 179.198 177.584 0.010 0.000 1.031 1328 A CA 0.781 52.823 52.037 0.009 0.000 0.767 1328 A CB -1.542 17.461 19.000 0.006 0.000 0.942 1328 A HN 0.952 nan 8.150 nan 0.000 0.514 1329 G N 1.993 110.799 108.800 0.010 0.000 2.180 1329 G HA2 -0.249 3.712 3.960 0.002 0.000 0.263 1329 G HA3 -0.249 3.712 3.960 0.002 0.000 0.263 1329 G C 0.215 175.122 174.900 0.012 0.000 0.989 1329 G CA 0.976 46.082 45.100 0.009 0.000 0.692 1329 G HN 0.853 nan 8.290 nan 0.000 0.526 1330 K N -0.313 120.097 120.400 0.016 0.000 2.221 1330 K HA 0.456 4.778 4.320 0.002 0.000 0.243 1330 K C 0.082 176.694 176.600 0.020 0.000 0.968 1330 K CA -0.830 55.468 56.287 0.019 0.000 0.846 1330 K CB 1.464 33.978 32.500 0.024 0.000 1.141 1330 K HN -0.080 nan 8.250 nan 0.000 0.434 1331 D N 0.241 120.653 120.400 0.019 0.000 2.305 1331 D HA 0.065 4.707 4.640 0.002 0.000 0.206 1331 D C 0.368 176.682 176.300 0.022 0.000 0.974 1331 D CA 0.663 54.673 54.000 0.018 0.000 0.871 1331 D CB 0.466 41.275 40.800 0.013 0.000 0.947 1331 D HN 0.238 nan 8.370 nan 0.000 0.516 1332 I N 1.795 122.383 120.570 0.029 0.000 2.354 1332 I HA 0.222 4.393 4.170 0.002 0.000 0.292 1332 I C 0.776 176.933 176.117 0.067 0.000 0.989 1332 I CA -0.703 60.618 61.300 0.036 0.000 1.188 1332 I CB 1.163 39.183 38.000 0.033 0.000 1.342 1332 I HN -0.329 nan 8.210 nan 0.000 0.457 1333 R N 3.986 124.541 120.500 0.091 0.000 2.679 1333 R HA 0.391 4.733 4.340 0.002 0.000 0.269 1333 R C -0.249 176.204 176.300 0.255 0.000 1.076 1333 R CA -0.254 55.946 56.100 0.166 0.000 1.160 1333 R CB 0.906 31.335 30.300 0.215 0.000 1.054 1333 R HN 0.550 nan 8.270 nan 0.000 0.507 1334 E N 0.361 120.707 120.200 0.244 0.000 2.367 1334 E HA 0.267 4.618 4.350 0.002 0.000 0.273 1334 E C -1.329 175.296 176.600 0.043 0.000 0.903 1334 E CA -0.874 55.647 56.400 0.201 0.000 0.764 1334 E CB 2.449 32.195 29.700 0.077 0.000 1.252 1334 E HN 0.231 nan 8.360 nan 0.000 0.446 1335 K N 2.206 122.471 120.400 -0.226 0.000 2.502 1335 K HA 0.212 4.534 4.320 0.002 0.000 0.254 1335 K C -0.605 175.782 176.600 -0.354 0.000 0.947 1335 K CA -0.490 55.450 56.287 -0.579 0.000 0.834 1335 K CB 0.650 32.217 32.500 -1.556 0.000 1.112 1335 K HN 0.481 nan 8.250 nan 0.000 0.427 1336 N N 3.450 122.008 118.700 -0.236 0.000 2.702 1336 N HA -0.241 4.500 4.740 0.002 0.000 0.255 1336 N C 0.456 175.910 175.510 -0.094 0.000 0.983 1336 N CA 1.876 54.840 53.050 -0.143 0.000 0.768 1336 N CB -1.102 37.300 38.487 -0.141 0.000 0.918 1336 N HN 1.063 nan 8.380 nan 0.000 0.540 1337 G N -1.510 107.251 108.800 -0.066 0.000 2.175 1337 G HA2 -0.339 3.622 3.960 0.002 0.000 0.244 1337 G HA3 -0.339 3.622 3.960 0.002 0.000 0.244 1337 G C -0.171 174.729 174.900 -0.000 0.000 0.982 1337 G CA 0.611 45.696 45.100 -0.025 0.000 0.641 1337 G HN 0.837 nan 8.290 nan 0.000 0.527 1338 Q N 1.380 121.176 119.800 -0.006 0.000 2.278 1338 Q HA 0.646 4.987 4.340 0.002 0.000 0.257 1338 Q C -2.590 173.517 176.000 0.178 0.000 0.928 1338 Q CA -2.328 53.515 55.803 0.066 0.000 0.932 1338 Q CB 1.599 30.373 28.738 0.061 0.000 1.221 1338 Q HN 0.216 nan 8.270 nan 0.000 0.434 1339 P HA -0.030 nan 4.420 nan 0.000 0.268 1339 P C -1.050 176.403 177.300 0.256 0.000 1.205 1339 P CA -0.427 62.790 63.100 0.195 0.000 0.771 1339 P CB 0.439 32.200 31.700 0.100 0.000 0.858 1340 L N 4.955 126.291 121.223 0.188 0.000 2.536 1340 L HA 0.133 4.474 4.340 0.002 0.000 0.282 1340 L C 0.115 176.914 176.870 -0.118 0.000 1.147 1340 L CA 0.724 55.467 54.840 -0.163 0.000 0.936 1340 L CB -1.135 40.694 42.059 -0.384 0.000 1.279 1340 L HN 0.260 nan 8.230 nan 0.000 0.461 1341 R N 5.867 126.319 120.500 -0.081 0.000 2.599 1341 R HA 0.715 5.056 4.340 0.002 0.000 0.295 1341 R C -1.142 175.118 176.300 -0.067 0.000 0.963 1341 R CA -0.820 55.251 56.100 -0.048 0.000 0.883 1341 R CB 2.092 32.394 30.300 0.003 0.000 1.171 1341 R HN 0.539 nan 8.270 nan 0.000 0.450 1342 I N 1.204 121.741 120.570 -0.055 0.000 2.619 1342 I HA 0.283 4.454 4.170 0.002 0.000 0.292 1342 I C -0.417 175.696 176.117 -0.006 0.000 1.100 1342 I CA -0.731 60.540 61.300 -0.049 0.000 1.043 1342 I CB 2.781 40.733 38.000 -0.080 0.000 1.239 1342 I HN 0.410 nan 8.210 nan 0.000 0.420 1343 E N 5.307 125.516 120.200 0.015 0.000 2.191 1343 E HA 0.534 4.885 4.350 0.002 0.000 0.278 1343 E C -1.275 175.371 176.600 0.076 0.000 0.972 1343 E CA -0.721 55.708 56.400 0.049 0.000 0.804 1343 E CB 2.780 32.512 29.700 0.052 0.000 1.110 1343 E HN 0.372 nan 8.360 nan 0.000 0.394 1344 L N 2.513 123.804 121.223 0.113 0.000 2.319 1344 L HA 0.364 4.705 4.340 0.002 0.000 0.281 1344 L C -0.866 176.163 176.870 0.265 0.000 1.005 1344 L CA -0.319 54.613 54.840 0.154 0.000 0.828 1344 L CB 1.597 43.746 42.059 0.151 0.000 1.227 1344 L HN 0.456 nan 8.230 nan 0.000 0.415 1345 S N 4.849 120.679 115.700 0.216 0.000 2.480 1345 S HA 0.734 5.205 4.470 0.002 0.000 0.286 1345 S C -0.805 173.990 174.600 0.324 0.000 1.180 1345 S CA -0.362 57.926 58.200 0.147 0.000 1.075 1345 S CB 0.793 64.028 63.200 0.059 0.000 0.996 1345 S HN 0.468 nan 8.310 nan 0.000 0.487 1346 F N 0.654 120.682 119.950 0.130 0.000 2.668 1346 F HA 0.640 5.169 4.527 0.003 0.000 0.309 1346 F C -0.895 174.936 175.800 0.051 0.000 1.117 1346 F CA -1.760 56.319 58.000 0.132 0.000 0.951 1346 F CB 0.511 39.590 39.000 0.132 0.000 1.323 1346 F HN 0.374 nan 8.300 nan 0.000 0.451 1347 I N 2.883 123.549 120.570 0.160 0.000 2.494 1347 I HA 0.427 4.598 4.170 0.002 0.000 0.289 1347 I C 1.315 177.486 176.117 0.088 0.000 1.106 1347 I CA 0.430 61.766 61.300 0.060 0.000 1.369 1347 I CB 0.703 38.751 38.000 0.080 0.000 1.410 1347 I HN 0.870 nan 8.210 nan 0.000 0.523 1348 G N 4.689 113.448 108.800 -0.069 0.000 2.545 1348 G HA2 -0.351 3.610 3.960 0.002 0.000 0.222 1348 G HA3 -0.351 3.610 3.960 0.002 0.000 0.222 1348 G C 1.169 176.120 174.900 0.086 0.000 1.126 1348 G CA 1.414 46.506 45.100 -0.012 0.000 0.754 1348 G HN 0.830 nan 8.290 nan 0.000 0.583 1349 T N -2.246 112.330 114.554 0.036 0.000 3.113 1349 T HA 0.112 4.463 4.350 0.002 0.000 0.256 1349 T C 0.631 175.336 174.700 0.009 0.000 1.131 1349 T CA 0.472 62.582 62.100 0.016 0.000 1.074 1349 T CB 0.208 69.070 68.868 -0.011 0.000 0.944 1349 T HN 0.150 nan 8.240 nan 0.000 0.516 1350 D N 1.245 121.661 120.400 0.028 0.000 2.374 1350 D HA 0.576 5.217 4.640 0.002 0.000 0.240 1350 D C 1.268 177.540 176.300 -0.046 0.000 1.229 1350 D CA -0.032 53.953 54.000 -0.024 0.000 0.895 1350 D CB 0.772 41.547 40.800 -0.043 0.000 1.046 1350 D HN 0.187 nan 8.370 nan 0.000 0.498 1351 A N 4.170 126.954 122.820 -0.059 0.000 1.933 1351 A HA -0.144 4.177 4.320 0.002 0.000 0.218 1351 A C 2.164 179.673 177.584 -0.125 0.000 1.175 1351 A CA 0.925 52.920 52.037 -0.069 0.000 0.628 1351 A CB -0.490 18.476 19.000 -0.056 0.000 0.814 1351 A HN 0.700 nan 8.150 nan 0.000 0.444 1352 L N -0.522 120.613 121.223 -0.146 0.000 2.046 1352 L HA -0.163 4.178 4.340 0.002 0.000 0.208 1352 L C 2.836 179.518 176.870 -0.314 0.000 1.077 1352 L CA 1.547 56.279 54.840 -0.181 0.000 0.747 1352 L CB -0.376 41.589 42.059 -0.156 0.000 0.896 1352 L HN 0.343 nan 8.230 nan 0.000 0.432 1353 S N -0.635 114.802 115.700 -0.438 0.000 2.383 1353 S HA -0.183 4.289 4.470 0.002 0.000 0.227 1353 S C 1.931 176.015 174.600 -0.860 0.000 1.026 1353 S CA 1.084 58.754 58.200 -0.883 0.000 0.981 1353 S CB -0.091 62.620 63.200 -0.817 0.000 0.818 1353 S HN 0.309 nan 8.310 nan 0.000 0.472 1354 K N 1.384 121.437 120.400 -0.577 0.000 2.025 1354 K HA -0.055 4.266 4.320 0.002 0.000 0.207 1354 K C 2.200 178.567 176.600 -0.390 0.000 1.049 1354 K CA 1.459 57.374 56.287 -0.619 0.000 0.933 1354 K CB -0.234 32.187 32.500 -0.131 0.000 0.714 1354 K HN 0.215 nan 8.250 nan 0.000 0.438 1355 S N 1.118 116.671 115.700 -0.245 0.000 2.359 1355 S HA -0.156 4.315 4.470 0.002 0.000 0.224 1355 S C 1.927 176.433 174.600 -0.157 0.000 1.035 1355 S CA 1.680 59.785 58.200 -0.158 0.000 1.018 1355 S CB -0.179 62.957 63.200 -0.108 0.000 0.876 1355 S HN 0.325 nan 8.310 nan 0.000 0.448 1356 M N 0.941 120.432 119.600 -0.182 0.000 2.175 1356 M HA -0.077 4.404 4.480 0.002 0.000 0.264 1356 M C 2.500 178.808 176.300 0.014 0.000 1.063 1356 M CA 1.350 56.611 55.300 -0.066 0.000 1.119 1356 M CB -0.544 32.046 32.600 -0.017 0.000 1.377 1356 M HN 0.408 nan 8.290 nan 0.000 0.415 1357 A N 0.238 123.027 122.820 -0.052 0.000 1.933 1357 A HA -0.172 4.149 4.320 0.002 0.000 0.218 1357 A C 1.901 179.445 177.584 -0.067 0.000 1.175 1357 A CA 1.644 53.669 52.037 -0.020 0.000 0.628 1357 A CB -0.624 18.149 19.000 -0.378 0.000 0.814 1357 A HN 0.513 nan 8.150 nan 0.000 0.444 1358 E N -0.397 119.735 120.200 -0.113 0.000 2.077 1358 E HA -0.147 4.204 4.350 0.002 0.000 0.193 1358 E C 1.862 178.437 176.600 -0.042 0.000 0.989 1358 E CA 1.202 57.567 56.400 -0.059 0.000 0.800 1358 E CB -0.253 29.409 29.700 -0.063 0.000 0.746 1358 E HN 0.691 nan 8.360 nan 0.000 0.452 1359 I N 0.837 121.376 120.570 -0.051 0.000 2.315 1359 I HA -0.266 3.905 4.170 0.002 0.000 0.248 1359 I C 2.255 178.349 176.117 -0.038 0.000 1.117 1359 I CA 0.933 62.203 61.300 -0.050 0.000 1.404 1359 I CB -0.130 37.831 38.000 -0.066 0.000 1.071 1359 I HN 0.121 nan 8.210 nan 0.000 0.419 1360 I N 0.398 120.951 120.570 -0.029 0.000 2.226 1360 I HA -0.322 3.849 4.170 0.002 0.000 0.245 1360 I C 2.765 178.869 176.117 -0.022 0.000 1.100 1360 I CA 1.273 62.555 61.300 -0.030 0.000 1.374 1360 I CB -0.453 37.524 38.000 -0.039 0.000 1.057 1360 I HN 0.205 nan 8.210 nan 0.000 0.413 1361 R N 1.405 121.897 120.500 -0.013 0.000 2.096 1361 R HA -0.237 4.104 4.340 0.002 0.000 0.240 1361 R C 2.293 178.591 176.300 -0.005 0.000 1.139 1361 R CA 1.958 58.056 56.100 -0.003 0.000 0.952 1361 R CB -0.304 30.003 30.300 0.011 0.000 0.854 1361 R HN 0.370 nan 8.270 nan 0.000 0.436 1362 A N 0.974 123.789 122.820 -0.008 0.000 1.872 1362 A HA -0.137 4.184 4.320 0.002 0.000 0.214 1362 A C 1.730 179.316 177.584 0.004 0.000 1.187 1362 A CA 1.673 53.708 52.037 -0.004 0.000 0.614 1362 A CB -0.541 18.452 19.000 -0.011 0.000 0.826 1362 A HN 0.419 nan 8.150 nan 0.000 0.442 1363 D N -0.134 120.267 120.400 0.001 0.000 2.123 1363 D HA -0.159 4.482 4.640 0.002 0.000 0.196 1363 D C 1.967 178.288 176.300 0.036 0.000 0.992 1363 D CA 1.501 55.520 54.000 0.032 0.000 0.833 1363 D CB -0.389 40.425 40.800 0.022 0.000 0.954 1363 D HN 0.489 nan 8.370 nan 0.000 0.455 1364 M N -0.260 119.345 119.600 0.008 0.000 2.296 1364 M HA -0.070 4.411 4.480 0.002 0.000 0.265 1364 M C 2.198 178.492 176.300 -0.010 0.000 1.064 1364 M CA 0.764 56.060 55.300 -0.006 0.000 1.109 1364 M CB -0.020 32.561 32.600 -0.031 0.000 1.396 1364 M HN -0.094 nan 8.290 nan 0.000 0.430 1365 R N 0.362 120.860 120.500 -0.003 0.000 2.115 1365 R HA -0.127 4.214 4.340 0.002 0.000 0.230 1365 R C 1.873 178.175 176.300 0.003 0.000 1.111 1365 R CA 1.046 57.144 56.100 -0.003 0.000 0.976 1365 R CB 0.057 30.359 30.300 0.003 0.000 0.870 1365 R HN 0.346 nan 8.270 nan 0.000 0.445 1366 Q N -0.028 119.780 119.800 0.014 0.000 2.439 1366 Q HA -0.113 4.228 4.340 0.002 0.000 0.211 1366 Q C 1.310 177.314 176.000 0.006 0.000 0.978 1366 Q CA 1.006 56.820 55.803 0.019 0.000 0.897 1366 Q CB 0.140 28.905 28.738 0.045 0.000 0.956 1366 Q HN 0.355 nan 8.270 nan 0.000 0.483 1367 I N -1.545 119.025 120.570 0.000 0.000 4.082 1367 I HA 0.132 4.303 4.170 0.002 0.000 0.337 1367 I C 0.842 176.949 176.117 -0.018 0.000 1.352 1367 I CA 0.520 61.813 61.300 -0.012 0.000 1.097 1367 I CB 0.911 38.904 38.000 -0.011 0.000 1.048 1367 I HN 0.217 nan 8.210 nan 0.000 0.393 1368 G N 0.914 109.704 108.800 -0.016 0.000 2.138 1368 G HA2 -0.054 3.907 3.960 0.002 0.000 0.193 1368 G HA3 -0.054 3.907 3.960 0.002 0.000 0.193 1368 G C 0.229 175.106 174.900 -0.038 0.000 0.998 1368 G CA -0.136 44.958 45.100 -0.010 0.000 0.668 1368 G HN 0.569 nan 8.290 nan 0.000 0.516 1369 A N -0.024 122.759 122.820 -0.062 0.000 2.330 1369 A HA 0.673 4.995 4.320 0.002 0.000 0.327 1369 A C -0.539 177.011 177.584 -0.057 0.000 1.155 1369 A CA -0.244 51.735 52.037 -0.098 0.000 0.803 1369 A CB 1.281 20.192 19.000 -0.147 0.000 1.208 1369 A HN 0.244 nan 8.150 nan 0.000 0.477 1370 D N 2.220 122.591 120.400 -0.049 0.000 2.359 1370 D HA 0.345 4.986 4.640 0.002 0.000 0.230 1370 D C -0.792 175.497 176.300 -0.019 0.000 1.118 1370 D CA 0.178 54.166 54.000 -0.020 0.000 0.844 1370 D CB 1.379 42.176 40.800 -0.004 0.000 1.059 1370 D HN 0.357 nan 8.370 nan 0.000 0.493 1371 V N 3.024 122.933 119.914 -0.008 0.000 2.398 1371 V HA 0.553 4.674 4.120 0.002 0.000 0.286 1371 V C -0.429 175.684 176.094 0.033 0.000 1.026 1371 V CA -0.407 61.895 62.300 0.003 0.000 0.868 1371 V CB 1.591 33.410 31.823 -0.007 0.000 0.982 1371 V HN 0.463 nan 8.190 nan 0.000 0.443 1372 S N 6.968 122.695 115.700 0.044 0.000 2.508 1372 S HA 0.696 5.167 4.470 0.002 0.000 0.284 1372 S C -0.657 174.010 174.600 0.112 0.000 1.192 1372 S CA -0.460 57.779 58.200 0.065 0.000 1.070 1372 S CB 1.188 64.417 63.200 0.048 0.000 1.004 1372 S HN 0.646 nan 8.310 nan 0.000 0.493 1373 L N 4.225 125.539 121.223 0.153 0.000 2.282 1373 L HA 0.519 4.860 4.340 0.002 0.000 0.288 1373 L C -0.348 176.617 176.870 0.159 0.000 1.033 1373 L CA -0.084 54.937 54.840 0.300 0.000 0.807 1373 L CB 0.969 43.255 42.059 0.378 0.000 1.209 1373 L HN 0.557 nan 8.230 nan 0.000 0.423 1374 I N 3.196 123.781 120.570 0.025 0.000 2.464 1374 I HA 0.336 4.507 4.170 0.002 0.000 0.277 1374 I C 0.621 176.337 176.117 -0.669 0.000 1.040 1374 I CA -0.309 60.869 61.300 -0.204 0.000 1.153 1374 I CB 1.360 39.303 38.000 -0.096 0.000 1.274 1374 I HN 0.613 nan 8.210 nan 0.000 0.469 1375 G N 5.172 113.464 108.800 -0.847 0.000 2.325 1375 G HA2 0.560 4.522 3.960 0.002 0.000 0.298 1375 G HA3 0.560 4.522 3.960 0.002 0.000 0.298 1375 G C -0.412 174.245 174.900 -0.406 0.000 1.134 1375 G CA -0.135 44.347 45.100 -1.031 0.000 0.876 1375 G HN 0.634 nan 8.290 nan 0.000 0.452 1376 E N 0.347 120.366 120.200 -0.301 0.000 2.416 1376 E HA 0.249 4.600 4.350 0.002 0.000 0.273 1376 E C -0.425 176.123 176.600 -0.087 0.000 0.935 1376 E CA -0.781 55.533 56.400 -0.143 0.000 0.784 1376 E CB 2.172 31.811 29.700 -0.101 0.000 1.301 1376 E HN 0.755 nan 8.360 nan 0.000 0.454 1377 E N 0.675 120.844 120.200 -0.051 0.000 2.408 1377 E HA -0.002 4.349 4.350 0.002 0.000 0.259 1377 E C 0.594 177.189 176.600 -0.008 0.000 1.110 1377 E CA -0.197 56.183 56.400 -0.034 0.000 0.929 1377 E CB 0.856 30.534 29.700 -0.037 0.000 0.971 1377 E HN 0.594 nan 8.360 nan 0.000 0.438 1378 E N 1.191 121.381 120.200 -0.017 0.000 2.114 1378 E HA -0.307 4.045 4.350 0.002 0.000 0.199 1378 E C 1.793 178.398 176.600 0.009 0.000 1.008 1378 E CA 2.220 58.615 56.400 -0.008 0.000 0.810 1378 E CB -0.063 29.533 29.700 -0.173 0.000 0.739 1378 E HN 0.667 nan 8.360 nan 0.000 0.456 1379 S N -0.620 115.053 115.700 -0.045 0.000 2.402 1379 S HA -0.126 4.345 4.470 0.002 0.000 0.229 1379 S C 2.152 176.788 174.600 0.061 0.000 1.021 1379 S CA 1.198 59.385 58.200 -0.023 0.000 0.974 1379 S CB -0.201 62.969 63.200 -0.051 0.000 0.800 1379 S HN 0.211 nan 8.310 nan 0.000 0.484 1380 S N 1.173 116.902 115.700 0.048 0.000 2.368 1380 S HA -0.013 4.458 4.470 0.002 0.000 0.224 1380 S C 1.812 176.460 174.600 0.081 0.000 1.029 1380 S CA 1.060 59.289 58.200 0.049 0.000 0.988 1380 S CB -0.539 62.669 63.200 0.014 0.000 0.838 1380 S HN 0.446 nan 8.310 nan 0.000 0.462 1381 I N 0.870 121.507 120.570 0.112 0.000 2.226 1381 I HA -0.099 4.073 4.170 0.002 0.000 0.245 1381 I C 1.997 178.184 176.117 0.116 0.000 1.100 1381 I CA 1.390 62.753 61.300 0.105 0.000 1.374 1381 I CB -1.720 36.360 38.000 0.133 0.000 1.057 1381 I HN 0.363 nan 8.210 nan 0.000 0.413 1382 Y N 0.950 121.242 120.300 -0.012 0.000 2.373 1382 Y HA -0.005 4.546 4.550 0.002 0.000 0.293 1382 Y C 2.550 178.465 175.900 0.024 0.000 1.129 1382 Y CA 0.774 58.871 58.100 -0.005 0.000 1.226 1382 Y CB -0.933 37.511 38.460 -0.026 0.000 1.000 1382 Y HN 0.112 nan 8.280 nan 0.000 0.549 1383 A N 0.283 123.201 122.820 0.163 0.000 1.873 1383 A HA -0.186 4.135 4.320 0.002 0.000 0.215 1383 A C 2.323 179.977 177.584 0.116 0.000 1.186 1383 A CA 1.531 53.637 52.037 0.115 0.000 0.616 1383 A CB -0.533 18.518 19.000 0.085 0.000 0.823 1383 A HN 0.356 nan 8.150 nan 0.000 0.442 1384 R N -0.591 119.978 120.500 0.116 0.000 2.083 1384 R HA -0.194 4.147 4.340 0.002 0.000 0.237 1384 R C 2.562 179.022 176.300 0.267 0.000 1.137 1384 R CA 1.947 58.153 56.100 0.176 0.000 0.951 1384 R CB -0.386 30.009 30.300 0.159 0.000 0.851 1384 R HN 0.700 nan 8.270 nan 0.000 0.434 1385 Q N 0.067 119.929 119.800 0.104 0.000 2.002 1385 Q HA -0.235 4.106 4.340 0.002 0.000 0.204 1385 Q C 2.221 178.347 176.000 0.209 0.000 0.988 1385 Q CA 2.047 57.892 55.803 0.070 0.000 0.843 1385 Q CB -0.278 28.360 28.738 -0.168 0.000 0.908 1385 Q HN 0.384 nan 8.270 nan 0.000 0.420 1386 R N 0.523 121.118 120.500 0.160 0.000 2.127 1386 R HA -0.173 4.168 4.340 0.002 0.000 0.238 1386 R C 0.682 177.082 176.300 0.166 0.000 1.134 1386 R CA 1.960 58.165 56.100 0.175 0.000 0.975 1386 R CB -0.175 30.213 30.300 0.147 0.000 0.865 1386 R HN 0.161 nan 8.270 nan 0.000 0.447 1387 D N -0.253 120.242 120.400 0.158 0.000 2.349 1387 D HA 0.111 4.752 4.640 0.002 0.000 0.215 1387 D C 0.896 177.248 176.300 0.087 0.000 1.016 1387 D CA 1.079 55.146 54.000 0.112 0.000 0.870 1387 D CB 0.535 41.389 40.800 0.089 0.000 0.917 1387 D HN 0.555 nan 8.370 nan 0.000 0.524 1388 G N 1.487 110.374 108.800 0.144 0.000 2.179 1388 G HA2 -0.348 3.613 3.960 0.002 0.000 0.257 1388 G HA3 -0.348 3.613 3.960 0.002 0.000 0.257 1388 G C 0.436 175.146 174.900 -0.317 0.000 1.010 1388 G CA -0.237 44.803 45.100 -0.099 0.000 0.736 1388 G HN 0.271 nan 8.290 nan 0.000 0.513 1389 R N -0.075 120.418 120.500 -0.011 0.000 3.171 1389 R HA 0.524 4.865 4.340 0.002 0.000 0.241 1389 R C -0.195 176.181 176.300 0.127 0.000 1.421 1389 R CA 0.215 56.308 56.100 -0.011 0.000 1.444 1389 R CB -0.468 29.867 30.300 0.058 0.000 1.247 1389 R HN 0.609 nan 8.270 nan 0.000 0.636 1390 F N -3.958 115.980 119.950 -0.020 0.000 2.744 1390 F HA 0.431 4.959 4.527 0.002 0.000 0.311 1390 F C 0.384 176.161 175.800 -0.037 0.000 1.144 1390 F CA -1.203 56.782 58.000 -0.025 0.000 0.938 1390 F CB 0.411 39.394 39.000 -0.029 0.000 1.292 1390 F HN 0.034 nan 8.300 nan 0.000 0.444 1391 G N 0.602 109.497 108.800 0.157 0.000 2.524 1391 G HA2 0.374 4.335 3.960 0.002 0.000 0.210 1391 G HA3 0.374 4.335 3.960 0.002 0.000 0.210 1391 G C -0.092 174.910 174.900 0.169 0.000 1.187 1391 G CA 0.034 45.172 45.100 0.063 0.000 0.825 1391 G HN 0.490 nan 8.290 nan 0.000 0.558 1392 M N -0.051 119.649 119.600 0.167 0.000 2.518 1392 M HA 0.635 5.117 4.480 0.002 0.000 0.300 1392 M C -1.650 174.657 176.300 0.012 0.000 1.175 1392 M CA -0.539 54.802 55.300 0.069 0.000 0.890 1392 M CB 3.278 35.845 32.600 -0.054 0.000 1.710 1392 M HN 0.102 nan 8.290 nan 0.000 0.453 1393 I N 0.893 121.385 120.570 -0.130 0.000 2.752 1393 I HA 0.494 4.665 4.170 0.002 0.000 0.295 1393 I C -1.432 174.594 176.117 -0.152 0.000 1.219 1393 I CA -0.626 60.565 61.300 -0.182 0.000 1.030 1393 I CB 2.021 39.727 38.000 -0.489 0.000 1.259 1393 I HN 0.542 nan 8.210 nan 0.000 0.423 1394 F N 5.928 125.884 119.950 0.009 0.000 2.518 1394 F HA 0.307 4.834 4.527 0.001 0.000 0.359 1394 F C 0.505 176.373 175.800 0.114 0.000 1.118 1394 F CA 0.732 58.764 58.000 0.052 0.000 1.287 1394 F CB 0.271 39.300 39.000 0.048 0.000 1.132 1394 F HN 0.378 nan 8.300 nan 0.000 0.587 1395 H N 2.226 121.388 119.070 0.153 0.000 3.016 1395 H HA 0.594 5.151 4.556 0.002 0.000 0.362 1395 H C -1.078 174.314 175.328 0.107 0.000 1.233 1395 H CA -1.192 54.923 56.048 0.113 0.000 1.124 1395 H CB 2.336 32.173 29.762 0.125 0.000 1.850 1395 H HN 0.736 nan 8.280 nan 0.000 0.549 1396 R N 0.689 121.151 120.500 -0.063 0.000 2.739 1396 R HA 0.368 4.710 4.340 0.002 0.000 0.271 1396 R C -1.103 175.152 176.300 -0.074 0.000 1.010 1396 R CA -0.679 55.388 56.100 -0.055 0.000 0.897 1396 R CB 1.832 32.139 30.300 0.011 0.000 1.236 1396 R HN 0.593 nan 8.270 nan 0.000 0.466 1397 T N -1.947 112.508 114.554 -0.165 0.000 2.824 1397 T HA 0.250 4.602 4.350 0.002 0.000 0.277 1397 T C 0.250 175.112 174.700 0.271 0.000 0.975 1397 T CA -0.622 61.366 62.100 -0.187 0.000 0.966 1397 T CB 0.552 69.190 68.868 -0.384 0.000 1.054 1397 T HN 0.667 nan 8.240 nan 0.000 0.533 1398 W N 0.809 122.145 121.300 0.059 0.000 3.077 1398 W HA 0.459 5.120 4.660 0.002 0.000 0.266 1398 W C 1.523 178.078 176.519 0.059 0.000 1.300 1398 W CA 0.181 57.525 57.345 -0.002 0.000 1.586 1398 W CB -1.456 27.983 29.460 -0.036 0.000 1.103 1398 W HN 1.411 nan 8.180 nan 0.000 0.652 1399 G N 0.502 109.502 108.800 0.334 0.000 2.795 1399 G HA2 0.114 4.075 3.960 0.002 0.000 0.664 1399 G HA3 0.114 4.075 3.960 0.002 0.000 0.664 1399 G C -0.084 175.014 174.900 0.330 0.000 1.381 1399 G CA -0.771 44.491 45.100 0.269 0.000 0.853 1399 G HN 0.464 nan 8.290 nan 0.000 0.545 1400 A N 0.777 123.715 122.820 0.197 0.000 2.462 1400 A HA 0.672 4.993 4.320 0.002 0.000 0.243 1400 A C -0.661 176.888 177.584 -0.059 0.000 1.076 1400 A CA -0.108 51.973 52.037 0.074 0.000 0.773 1400 A CB 0.513 19.603 19.000 0.150 0.000 1.010 1400 A HN 0.845 nan 8.150 nan 0.000 0.493 1401 P HA 0.173 nan 4.420 nan 0.000 0.254 1401 P C -0.266 176.908 177.300 -0.211 0.000 1.620 1401 P CA 0.258 62.992 63.100 -0.611 0.000 1.050 1401 P CB -0.169 30.746 31.700 -1.310 0.000 1.539 1402 Y N -0.507 119.851 120.300 0.096 0.000 2.420 1402 Y HA 0.063 4.614 4.550 0.002 0.000 0.292 1402 Y C 0.926 176.808 175.900 -0.030 0.000 1.119 1402 Y CA 0.365 58.543 58.100 0.129 0.000 1.229 1402 Y CB -0.365 38.364 38.460 0.448 0.000 1.026 1402 Y HN -0.026 nan 8.280 nan 0.000 0.554 1403 D N 1.428 121.917 120.400 0.149 0.000 2.210 1403 D HA 0.123 4.765 4.640 0.002 0.000 0.249 1403 D C -1.663 174.497 176.300 -0.234 0.000 1.078 1403 D CA -1.910 52.012 54.000 -0.131 0.000 0.875 1403 D CB 1.351 42.091 40.800 -0.100 0.000 1.175 1403 D HN 0.061 nan 8.370 nan 0.000 0.440 1404 P HA -0.062 nan 4.420 nan 0.000 0.239 1404 P C 1.246 178.427 177.300 -0.198 0.000 1.188 1404 P CA 0.596 63.234 63.100 -0.770 0.000 0.794 1404 P CB 0.103 31.199 31.700 -1.006 0.000 0.937 1405 H N 0.780 119.819 119.070 -0.052 0.000 2.387 1405 H HA -0.013 4.544 4.556 0.002 0.000 0.299 1405 H C 1.395 176.800 175.328 0.128 0.000 1.099 1405 H CA 1.882 57.998 56.048 0.115 0.000 1.315 1405 H CB -0.659 29.124 29.762 0.034 0.000 1.380 1405 H HN 0.059 nan 8.280 nan 0.000 0.513 1406 A N 0.695 123.129 122.820 -0.643 0.000 1.943 1406 A HA 0.045 4.366 4.320 0.002 0.000 0.213 1406 A C 2.322 179.608 177.584 -0.497 0.000 1.181 1406 A CA 0.340 52.145 52.037 -0.388 0.000 0.653 1406 A CB -0.961 18.002 19.000 -0.060 0.000 0.833 1406 A HN 0.381 nan 8.150 nan 0.000 0.451 1407 F N 1.201 120.677 119.950 -0.790 0.000 2.095 1407 F HA -0.208 4.321 4.527 0.002 0.000 0.298 1407 F C 1.910 177.527 175.800 -0.305 0.000 1.104 1407 F CA 1.966 59.412 58.000 -0.923 0.000 1.232 1407 F CB -0.222 38.472 39.000 -0.510 0.000 0.987 1407 F HN 0.146 nan 8.300 nan 0.000 0.475 1408 L N -0.877 120.406 121.223 0.100 0.000 2.017 1408 L HA -0.245 4.096 4.340 0.002 0.000 0.208 1408 L C 2.751 179.663 176.870 0.070 0.000 1.073 1408 L CA 1.537 56.474 54.840 0.160 0.000 0.745 1408 L CB -1.250 40.990 42.059 0.302 0.000 0.894 1408 L HN 0.224 nan 8.230 nan 0.000 0.432 1409 S N -0.468 115.273 115.700 0.068 0.000 2.374 1409 S HA -0.274 4.198 4.470 0.002 0.000 0.227 1409 S C 2.280 176.933 174.600 0.089 0.000 1.037 1409 S CA 2.052 60.316 58.200 0.107 0.000 1.024 1409 S CB -0.272 63.023 63.200 0.158 0.000 0.861 1409 S HN 0.503 nan 8.310 nan 0.000 0.456 1410 S N 0.305 116.021 115.700 0.027 0.000 2.428 1410 S HA 0.030 4.501 4.470 0.002 0.000 0.230 1410 S C 1.918 176.604 174.600 0.144 0.000 1.014 1410 S CA 1.019 59.309 58.200 0.149 0.000 0.957 1410 S CB -0.510 62.774 63.200 0.140 0.000 0.784 1410 S HN 0.633 nan 8.310 nan 0.000 0.499 1411 M N 0.657 120.264 119.600 0.012 0.000 2.331 1411 M HA -0.121 4.360 4.480 0.002 0.000 0.260 1411 M C 1.983 178.437 176.300 0.258 0.000 1.072 1411 M CA 1.405 56.775 55.300 0.116 0.000 1.065 1411 M CB -0.357 32.297 32.600 0.091 0.000 1.392 1411 M HN 0.334 nan 8.290 nan 0.000 0.427 1412 R N -0.500 120.119 120.500 0.199 0.000 2.300 1412 R HA 0.147 4.488 4.340 0.002 0.000 0.199 1412 R C 0.062 176.356 176.300 -0.011 0.000 0.920 1412 R CA 0.045 56.272 56.100 0.213 0.000 1.046 1412 R CB 0.136 30.512 30.300 0.127 0.000 0.984 1412 R HN 0.133 nan 8.270 nan 0.000 0.493 1413 V N 3.248 123.096 119.914 -0.110 0.000 2.368 1413 V HA 0.114 4.235 4.120 0.002 0.000 0.266 1413 V C -1.570 174.117 176.094 -0.679 0.000 1.045 1413 V CA -1.500 60.561 62.300 -0.397 0.000 0.899 1413 V CB 1.372 32.928 31.823 -0.445 0.000 1.006 1413 V HN -0.056 nan 8.190 nan 0.000 0.470 1414 P HA -0.137 nan 4.420 nan 0.000 0.218 1414 P C 1.114 178.176 177.300 -0.396 0.000 1.147 1414 P CA 1.308 63.639 63.100 -1.282 0.000 0.827 1414 P CB 0.259 31.508 31.700 -0.751 0.000 0.778 1415 S N -2.771 112.761 115.700 -0.279 0.000 2.575 1415 S HA 0.120 4.591 4.470 0.002 0.000 0.237 1415 S C 0.285 174.979 174.600 0.156 0.000 0.975 1415 S CA -0.305 57.878 58.200 -0.028 0.000 0.960 1415 S CB -0.584 62.606 63.200 -0.016 0.000 0.822 1415 S HN 0.331 nan 8.310 nan 0.000 0.472 1416 H N -0.548 118.580 119.070 0.097 0.000 2.508 1416 H HA 0.420 4.977 4.556 0.002 0.000 0.344 1416 H C 1.447 176.889 175.328 0.190 0.000 1.192 1416 H CA -0.387 55.742 56.048 0.135 0.000 1.290 1416 H CB 1.088 30.932 29.762 0.135 0.000 1.571 1416 H HN 0.237 nan 8.280 nan 0.000 0.555 1417 A N 1.316 124.295 122.820 0.265 0.000 1.908 1417 A HA -0.203 4.118 4.320 0.002 0.000 0.218 1417 A C 1.722 179.433 177.584 0.211 0.000 1.181 1417 A CA 1.928 54.080 52.037 0.191 0.000 0.627 1417 A CB -0.338 18.610 19.000 -0.086 0.000 0.818 1417 A HN 0.785 nan 8.150 nan 0.000 0.445 1418 D N -1.415 119.094 120.400 0.183 0.000 2.144 1418 D HA -0.111 4.530 4.640 0.002 0.000 0.200 1418 D C 1.690 178.091 176.300 0.169 0.000 0.978 1418 D CA 1.263 55.357 54.000 0.158 0.000 0.833 1418 D CB -0.274 40.624 40.800 0.164 0.000 0.961 1418 D HN 0.504 nan 8.370 nan 0.000 0.470 1419 F N 2.179 122.188 119.950 0.098 0.000 2.102 1419 F HA -0.219 4.309 4.527 0.002 0.000 0.298 1419 F C 2.465 178.295 175.800 0.050 0.000 1.105 1419 F CA 1.364 59.404 58.000 0.066 0.000 1.239 1419 F CB -0.023 39.013 39.000 0.058 0.000 0.991 1419 F HN -0.211 nan 8.300 nan 0.000 0.474 1420 Q N 0.602 120.539 119.800 0.228 0.000 2.061 1420 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 1420 Q C 2.483 178.438 176.000 -0.076 0.000 0.984 1420 Q CA 1.678 57.526 55.803 0.074 0.000 0.846 1420 Q CB -1.194 27.647 28.738 0.173 0.000 0.902 1420 Q HN 0.555 nan 8.270 nan 0.000 0.421 1421 A N 0.591 123.420 122.820 0.015 0.000 2.067 1421 A HA -0.152 4.169 4.320 0.002 0.000 0.219 1421 A C 1.741 179.248 177.584 -0.128 0.000 1.158 1421 A CA 1.032 53.044 52.037 -0.041 0.000 0.661 1421 A CB -0.224 18.846 19.000 0.116 0.000 0.801 1421 A HN 0.374 nan 8.150 nan 0.000 0.452 1422 Q N -0.753 118.953 119.800 -0.158 0.000 2.320 1422 Q HA 0.058 4.399 4.340 0.002 0.000 0.201 1422 Q C 1.301 177.163 176.000 -0.230 0.000 0.910 1422 Q CA -0.092 55.600 55.803 -0.184 0.000 0.946 1422 Q CB 0.252 28.901 28.738 -0.148 0.000 1.062 1422 Q HN 0.549 nan 8.270 nan 0.000 0.503 1423 Q N -0.651 118.991 119.800 -0.262 0.000 2.297 1423 Q HA -0.034 4.307 4.340 0.002 0.000 0.204 1423 Q C 1.792 177.693 176.000 -0.166 0.000 0.962 1423 Q CA 1.115 56.760 55.803 -0.264 0.000 0.879 1423 Q CB 0.012 28.600 28.738 -0.250 0.000 0.947 1423 Q HN 0.456 nan 8.270 nan 0.000 0.462 1424 G N 0.138 108.854 108.800 -0.140 0.000 2.744 1424 G HA2 0.054 4.015 3.960 0.002 0.000 0.211 1424 G HA3 0.054 4.015 3.960 0.002 0.000 0.211 1424 G C 0.542 175.390 174.900 -0.086 0.000 1.143 1424 G CA -0.141 44.898 45.100 -0.101 0.000 0.788 1424 G HN 0.157 nan 8.290 nan 0.000 0.534 1425 L N 0.867 122.032 121.223 -0.096 0.000 2.331 1425 L HA 0.369 4.710 4.340 0.002 0.000 0.278 1425 L C 1.833 178.670 176.870 -0.054 0.000 1.106 1425 L CA -0.610 54.188 54.840 -0.069 0.000 0.824 1425 L CB 1.499 43.518 42.059 -0.067 0.000 1.142 1425 L HN 0.083 nan 8.230 nan 0.000 0.443 1426 A N 1.693 124.492 122.820 -0.036 0.000 1.978 1426 A HA -0.191 4.130 4.320 0.002 0.000 0.220 1426 A C 1.756 179.329 177.584 -0.018 0.000 1.170 1426 A CA 1.463 53.485 52.037 -0.025 0.000 0.636 1426 A CB -0.313 18.678 19.000 -0.015 0.000 0.810 1426 A HN 0.845 nan 8.150 nan 0.000 0.448 1427 D N -0.667 119.724 120.400 -0.014 0.000 2.350 1427 D HA -0.089 4.552 4.640 0.002 0.000 0.216 1427 D C 1.829 178.128 176.300 -0.001 0.000 0.968 1427 D CA 0.948 54.947 54.000 -0.002 0.000 0.894 1427 D CB 0.003 40.805 40.800 0.004 0.000 0.909 1427 D HN 0.417 nan 8.370 nan 0.000 0.520 1428 K N 0.822 121.207 120.400 -0.025 0.000 2.063 1428 K HA -0.091 4.230 4.320 0.002 0.000 0.208 1428 K C -1.058 175.543 176.600 0.002 0.000 1.048 1428 K CA 1.268 57.535 56.287 -0.034 0.000 0.928 1428 K CB -1.111 31.324 32.500 -0.109 0.000 0.713 1428 K HN 0.143 nan 8.250 nan 0.000 0.442 1429 P HA -0.115 nan 4.420 nan 0.000 0.217 1429 P C 1.215 178.540 177.300 0.041 0.000 1.150 1429 P CA 0.771 63.892 63.100 0.034 0.000 0.832 1429 P CB 0.001 31.717 31.700 0.026 0.000 0.787 1430 L N -0.469 120.774 121.223 0.032 0.000 2.017 1430 L HA -0.127 4.215 4.340 0.002 0.000 0.208 1430 L C 2.182 179.081 176.870 0.048 0.000 1.073 1430 L CA 1.714 56.575 54.840 0.036 0.000 0.745 1430 L CB -1.359 40.718 42.059 0.029 0.000 0.894 1430 L HN -0.132 nan 8.230 nan 0.000 0.432 1431 I N -0.142 120.461 120.570 0.054 0.000 2.151 1431 I HA -0.346 3.825 4.170 0.002 0.000 0.243 1431 I C 1.995 178.163 176.117 0.085 0.000 1.080 1431 I CA 1.715 63.060 61.300 0.076 0.000 1.339 1431 I CB -0.521 37.529 38.000 0.083 0.000 1.039 1431 I HN 0.301 nan 8.210 nan 0.000 0.409 1432 D N 0.374 120.825 120.400 0.086 0.000 2.183 1432 D HA -0.160 4.482 4.640 0.002 0.000 0.203 1432 D C 2.064 178.415 176.300 0.085 0.000 0.969 1432 D CA 0.905 54.968 54.000 0.104 0.000 0.842 1432 D CB -0.149 40.731 40.800 0.133 0.000 0.957 1432 D HN 0.267 nan 8.370 nan 0.000 0.484 1433 K N 0.851 121.291 120.400 0.067 0.000 2.026 1433 K HA -0.133 4.188 4.320 0.002 0.000 0.208 1433 K C 1.764 178.391 176.600 0.044 0.000 1.048 1433 K CA 1.120 57.438 56.287 0.052 0.000 0.929 1433 K CB 0.148 32.673 32.500 0.041 0.000 0.713 1433 K HN 0.087 nan 8.250 nan 0.000 0.439 1434 E N 0.328 120.553 120.200 0.042 0.000 2.106 1434 E HA -0.159 4.192 4.350 0.002 0.000 0.192 1434 E C 2.058 178.669 176.600 0.018 0.000 0.984 1434 E CA 1.045 57.459 56.400 0.023 0.000 0.806 1434 E CB -0.048 29.668 29.700 0.027 0.000 0.750 1434 E HN 0.358 nan 8.360 nan 0.000 0.458 1435 I N 0.965 121.571 120.570 0.060 0.000 2.286 1435 I HA -0.180 3.991 4.170 0.002 0.000 0.248 1435 I C 2.529 178.693 176.117 0.077 0.000 1.115 1435 I CA 1.086 62.436 61.300 0.083 0.000 1.392 1435 I CB -0.428 37.650 38.000 0.130 0.000 1.065 1435 I HN 0.150 nan 8.210 nan 0.000 0.418 1436 G N 0.316 109.160 108.800 0.073 0.000 2.440 1436 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 1436 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 1436 G C 1.527 176.464 174.900 0.061 0.000 1.154 1436 G CA 0.726 45.870 45.100 0.075 0.000 0.767 1436 G HN 0.412 nan 8.290 nan 0.000 0.552 1437 E N -0.063 120.154 120.200 0.028 0.000 2.107 1437 E HA -0.066 4.285 4.350 0.002 0.000 0.191 1437 E C 2.811 179.391 176.600 -0.033 0.000 0.982 1437 E CA 1.171 57.572 56.400 0.003 0.000 0.809 1437 E CB -0.096 29.595 29.700 -0.015 0.000 0.756 1437 E HN 0.453 nan 8.360 nan 0.000 0.459 1438 V N -0.793 119.072 119.914 -0.081 0.000 2.667 1438 V HA -0.118 4.003 4.120 0.002 0.000 0.252 1438 V C 1.905 177.978 176.094 -0.035 0.000 1.065 1438 V CA 0.963 63.133 62.300 -0.216 0.000 1.083 1438 V CB -0.298 31.196 31.823 -0.547 0.000 0.692 1438 V HN 0.121 nan 8.190 nan 0.000 0.468 1439 L N 0.707 121.976 121.223 0.076 0.000 2.478 1439 L HA 0.364 4.705 4.340 0.002 0.000 0.223 1439 L C 2.177 179.145 176.870 0.162 0.000 1.140 1439 L CA 1.429 56.356 54.840 0.146 0.000 0.842 1439 L CB -0.920 41.275 42.059 0.227 0.000 0.953 1439 L HN 0.527 nan 8.230 nan 0.000 0.452 1440 A N -2.496 120.395 122.820 0.118 0.000 2.538 1440 A HA 0.242 4.563 4.320 0.002 0.000 0.269 1440 A C 0.865 178.438 177.584 -0.017 0.000 1.231 1440 A CA -0.055 52.047 52.037 0.108 0.000 0.948 1440 A CB -0.109 18.970 19.000 0.132 0.000 1.110 1440 A HN 0.203 nan 8.150 nan 0.000 0.529 1441 T N -1.185 113.276 114.554 -0.155 0.000 2.837 1441 T HA 0.405 4.756 4.350 0.002 0.000 0.285 1441 T C 0.654 175.044 174.700 -0.516 0.000 0.984 1441 T CA -0.301 61.663 62.100 -0.228 0.000 1.049 1441 T CB 0.359 69.097 68.868 -0.218 0.000 0.947 1441 T HN 0.403 nan 8.240 nan 0.000 0.472 1442 H N 2.080 121.130 119.070 -0.034 0.000 2.681 1442 H HA 0.174 4.731 4.556 0.002 0.000 0.268 1442 H C 0.577 175.886 175.328 -0.031 0.000 0.967 1442 H CA -0.106 55.931 56.048 -0.018 0.000 1.233 1442 H CB 0.412 30.201 29.762 0.045 0.000 1.445 1442 H HN 0.634 nan 8.280 nan 0.000 0.494 1443 D N 2.321 122.742 120.400 0.035 0.000 2.401 1443 D HA -0.068 4.573 4.640 0.002 0.000 0.254 1443 D C 0.969 177.253 176.300 -0.028 0.000 1.192 1443 D CA 0.066 54.076 54.000 0.017 0.000 0.885 1443 D CB 1.254 42.062 40.800 0.013 0.000 1.147 1443 D HN 0.194 nan 8.370 nan 0.000 0.478 1444 E N 2.293 122.499 120.200 0.010 0.000 2.130 1444 E HA -0.162 4.190 4.350 0.002 0.000 0.196 1444 E C 1.602 178.226 176.600 0.039 0.000 0.998 1444 E CA 1.379 57.800 56.400 0.034 0.000 0.806 1444 E CB 0.111 29.855 29.700 0.074 0.000 0.738 1444 E HN 0.597 nan 8.360 nan 0.000 0.459 1445 T N 0.666 115.236 114.554 0.026 0.000 2.770 1445 T HA -0.173 4.178 4.350 0.002 0.000 0.263 1445 T C 1.920 176.621 174.700 0.003 0.000 1.039 1445 T CA 1.508 63.626 62.100 0.029 0.000 1.142 1445 T CB -0.177 68.706 68.868 0.025 0.000 0.868 1445 T HN 0.065 nan 8.240 nan 0.000 0.435 1446 Q N 1.143 120.927 119.800 -0.027 0.000 2.172 1446 Q HA 0.052 4.393 4.340 0.002 0.000 0.200 1446 Q C 2.226 178.154 176.000 -0.121 0.000 0.964 1446 Q CA 1.372 57.142 55.803 -0.055 0.000 0.855 1446 Q CB -0.184 28.523 28.738 -0.051 0.000 0.918 1446 Q HN 0.409 nan 8.270 nan 0.000 0.444 1447 R N -0.475 119.917 120.500 -0.180 0.000 2.070 1447 R HA -0.194 4.147 4.340 0.002 0.000 0.233 1447 R C 2.268 178.406 176.300 -0.269 0.000 1.137 1447 R CA 1.815 57.699 56.100 -0.360 0.000 0.945 1447 R CB -0.267 29.740 30.300 -0.488 0.000 0.845 1447 R HN 0.297 nan 8.270 nan 0.000 0.430 1448 Q N 0.200 119.989 119.800 -0.019 0.000 2.096 1448 Q HA -0.135 4.206 4.340 0.002 0.000 0.204 1448 Q C 1.820 177.890 176.000 0.117 0.000 0.982 1448 Q CA 2.374 58.294 55.803 0.196 0.000 0.850 1448 Q CB -0.430 28.459 28.738 0.251 0.000 0.901 1448 Q HN 0.444 nan 8.270 nan 0.000 0.422 1449 A N -0.053 122.789 122.820 0.037 0.000 1.902 1449 A HA -0.133 4.189 4.320 0.002 0.000 0.217 1449 A C 1.936 179.527 177.584 0.012 0.000 1.181 1449 A CA 1.392 53.449 52.037 0.033 0.000 0.623 1449 A CB -0.651 18.357 19.000 0.013 0.000 0.818 1449 A HN 0.442 nan 8.150 nan 0.000 0.443 1450 L N -1.438 119.742 121.223 -0.071 0.000 2.027 1450 L HA -0.119 4.222 4.340 0.002 0.000 0.206 1450 L C 2.384 179.225 176.870 -0.048 0.000 1.074 1450 L CA 1.707 56.482 54.840 -0.107 0.000 0.745 1450 L CB -1.768 40.152 42.059 -0.231 0.000 0.898 1450 L HN 0.568 nan 8.230 nan 0.000 0.433 1451 Y N 0.002 120.300 120.300 -0.004 0.000 2.114 1451 Y HA -0.355 4.196 4.550 0.002 0.000 0.282 1451 Y C 2.923 178.871 175.900 0.080 0.000 1.165 1451 Y CA 1.654 59.776 58.100 0.038 0.000 1.148 1451 Y CB -0.217 38.255 38.460 0.019 0.000 0.972 1451 Y HN 0.192 nan 8.280 nan 0.000 0.504 1452 R N 0.619 121.265 120.500 0.242 0.000 2.091 1452 R HA -0.228 4.114 4.340 0.002 0.000 0.238 1452 R C 1.747 178.134 176.300 0.144 0.000 1.136 1452 R CA 2.258 58.461 56.100 0.171 0.000 0.959 1452 R CB -0.438 29.938 30.300 0.126 0.000 0.856 1452 R HN 0.339 nan 8.270 nan 0.000 0.437 1453 D N 0.128 120.598 120.400 0.118 0.000 2.117 1453 D HA -0.122 4.519 4.640 0.002 0.000 0.198 1453 D C 2.001 178.376 176.300 0.126 0.000 0.982 1453 D CA 1.758 55.817 54.000 0.099 0.000 0.828 1453 D CB 0.015 40.854 40.800 0.066 0.000 0.967 1453 D HN 0.473 nan 8.370 nan 0.000 0.464 1454 I N -1.278 119.386 120.570 0.156 0.000 2.252 1454 I HA -0.163 4.008 4.170 0.002 0.000 0.245 1454 I C 2.100 178.351 176.117 0.223 0.000 1.102 1454 I CA 0.952 62.364 61.300 0.186 0.000 1.385 1454 I CB -0.746 37.389 38.000 0.226 0.000 1.064 1454 I HN 0.032 nan 8.210 nan 0.000 0.414 1455 L N 0.954 122.325 121.223 0.246 0.000 2.156 1455 L HA -0.085 4.256 4.340 0.002 0.000 0.208 1455 L C 2.763 179.759 176.870 0.211 0.000 1.095 1455 L CA 1.377 56.369 54.840 0.253 0.000 0.770 1455 L CB -0.961 41.250 42.059 0.253 0.000 0.914 1455 L HN 0.278 nan 8.230 nan 0.000 0.439 1456 T N -0.282 114.375 114.554 0.172 0.000 2.708 1456 T HA -0.190 4.161 4.350 0.002 0.000 0.266 1456 T C 2.043 176.841 174.700 0.165 0.000 1.037 1456 T CA 1.368 63.563 62.100 0.158 0.000 1.146 1456 T CB -0.163 68.776 68.868 0.118 0.000 0.865 1456 T HN 0.296 nan 8.240 nan 0.000 0.435 1457 R N 0.520 121.104 120.500 0.140 0.000 2.096 1457 R HA 0.073 4.414 4.340 0.002 0.000 0.235 1457 R C 2.442 178.814 176.300 0.120 0.000 1.127 1457 R CA 0.987 57.153 56.100 0.111 0.000 0.968 1457 R CB -0.502 29.854 30.300 0.092 0.000 0.861 1457 R HN 0.354 nan 8.270 nan 0.000 0.440 1458 L N -0.665 120.662 121.223 0.172 0.000 2.141 1458 L HA -0.169 4.172 4.340 0.002 0.000 0.209 1458 L C 2.633 179.617 176.870 0.191 0.000 1.094 1458 L CA 1.108 56.064 54.840 0.194 0.000 0.763 1458 L CB -0.571 41.676 42.059 0.313 0.000 0.908 1458 L HN 0.349 nan 8.230 nan 0.000 0.437 1459 H N 0.340 119.472 119.070 0.104 0.000 2.299 1459 H HA -0.158 4.399 4.556 0.002 0.000 0.302 1459 H C 1.562 176.908 175.328 0.030 0.000 1.078 1459 H CA 1.846 57.935 56.048 0.068 0.000 1.323 1459 H CB 0.368 30.170 29.762 0.066 0.000 1.381 1459 H HN 0.293 nan 8.280 nan 0.000 0.498 1460 D N 0.442 120.881 120.400 0.066 0.000 2.178 1460 D HA -0.092 4.549 4.640 0.002 0.000 0.202 1460 D C 1.459 177.733 176.300 -0.043 0.000 0.974 1460 D CA 0.866 54.865 54.000 -0.002 0.000 0.841 1460 D CB -0.185 40.647 40.800 0.053 0.000 0.953 1460 D HN 0.583 nan 8.370 nan 0.000 0.478 1461 E N 0.085 120.269 120.200 -0.026 0.000 2.476 1461 E HA 0.309 4.660 4.350 0.002 0.000 0.191 1461 E C 0.383 176.933 176.600 -0.084 0.000 1.064 1461 E CA 0.191 56.564 56.400 -0.044 0.000 0.866 1461 E CB 0.302 29.985 29.700 -0.028 0.000 0.952 1461 E HN 0.108 nan 8.360 nan 0.000 0.492 1462 A N 0.726 123.477 122.820 -0.115 0.000 2.610 1462 A HA -0.204 4.118 4.320 0.002 0.000 0.299 1462 A C 1.294 178.795 177.584 -0.138 0.000 1.487 1462 A CA 0.513 52.459 52.037 -0.152 0.000 0.743 1462 A CB -2.295 16.606 19.000 -0.164 0.000 1.070 1462 A HN 0.226 nan 8.150 nan 0.000 0.439 1463 V N -1.649 118.180 119.914 -0.141 0.000 2.488 1463 V HA -0.015 4.106 4.120 0.002 0.000 0.246 1463 V C 1.155 176.943 176.094 -0.510 0.000 1.046 1463 V CA 1.965 64.073 62.300 -0.320 0.000 1.053 1463 V CB -0.453 31.156 31.823 -0.357 0.000 0.679 1463 V HN 0.673 nan 8.190 nan 0.000 0.458 1464 Y N -1.232 119.050 120.300 -0.031 0.000 2.621 1464 Y HA 0.681 5.232 4.550 0.002 0.000 0.334 1464 Y C -0.289 175.563 175.900 -0.081 0.000 1.074 1464 Y CA -1.386 56.689 58.100 -0.042 0.000 1.149 1464 Y CB 1.406 39.853 38.460 -0.022 0.000 1.302 1464 Y HN -0.153 nan 8.280 nan 0.000 0.501 1465 L N 4.673 125.949 121.223 0.088 0.000 2.356 1465 L HA 0.588 4.929 4.340 0.002 0.000 0.264 1465 L C -3.045 173.808 176.870 -0.028 0.000 1.029 1465 L CA -3.308 51.524 54.840 -0.012 0.000 0.897 1465 L CB 0.365 42.383 42.059 -0.069 0.000 1.256 1465 L HN 0.288 nan 8.230 nan 0.000 0.444 1466 P HA 0.294 nan 4.420 nan 0.000 0.271 1466 P C 0.497 177.713 177.300 -0.139 0.000 1.220 1466 P CA 0.219 63.255 63.100 -0.106 0.000 0.768 1466 P CB 1.208 32.847 31.700 -0.101 0.000 0.848 1467 I N 0.579 121.051 120.570 -0.164 0.000 3.196 1467 I HA 0.076 4.247 4.170 0.002 0.000 0.248 1467 I C 0.781 176.756 176.117 -0.236 0.000 1.105 1467 I CA 0.672 61.881 61.300 -0.152 0.000 1.482 1467 I CB 0.061 38.017 38.000 -0.074 0.000 1.400 1467 I HN 0.368 nan 8.210 nan 0.000 0.464 1468 S N -1.249 114.287 115.700 -0.273 0.000 2.596 1468 S HA 0.557 5.028 4.470 0.002 0.000 0.270 1468 S C -1.508 172.872 174.600 -0.367 0.000 1.155 1468 S CA -0.716 57.277 58.200 -0.345 0.000 0.827 1468 S CB 1.489 64.587 63.200 -0.171 0.000 1.130 1468 S HN 0.046 nan 8.310 nan 0.000 0.467 1469 Y N 0.727 120.992 120.300 -0.059 0.000 2.328 1469 Y HA 0.555 5.107 4.550 0.002 0.000 0.337 1469 Y C 0.255 176.109 175.900 -0.077 0.000 1.008 1469 Y CA -1.485 56.575 58.100 -0.067 0.000 1.129 1469 Y CB 0.613 39.038 38.460 -0.060 0.000 1.185 1469 Y HN 0.561 nan 8.280 nan 0.000 0.476 1470 I N 2.612 123.223 120.570 0.069 0.000 2.474 1470 I HA 0.185 4.357 4.170 0.002 0.000 0.287 1470 I C 0.295 176.381 176.117 -0.051 0.000 1.048 1470 I CA 0.104 61.390 61.300 -0.024 0.000 1.383 1470 I CB 0.819 38.795 38.000 -0.040 0.000 1.412 1470 I HN 0.542 nan 8.210 nan 0.000 0.531 1471 S N 5.742 121.374 115.700 -0.112 0.000 2.608 1471 S HA 0.450 4.921 4.470 0.002 0.000 0.291 1471 S C -0.184 174.279 174.600 -0.229 0.000 1.146 1471 S CA -0.679 57.416 58.200 -0.175 0.000 1.043 1471 S CB 1.454 64.545 63.200 -0.182 0.000 1.037 1471 S HN 0.441 nan 8.310 nan 0.000 0.520 1472 M N 3.030 122.459 119.600 -0.285 0.000 2.248 1472 M HA 0.220 4.701 4.480 0.002 0.000 0.345 1472 M C -0.796 175.313 176.300 -0.318 0.000 1.243 1472 M CA 0.879 55.991 55.300 -0.314 0.000 1.090 1472 M CB -0.390 32.001 32.600 -0.349 0.000 1.683 1472 M HN 0.547 nan 8.290 nan 0.000 0.450 1473 M N 4.810 124.198 119.600 -0.353 0.000 2.336 1473 M HA 0.585 5.066 4.480 0.002 0.000 0.342 1473 M C -1.198 174.956 176.300 -0.243 0.000 1.128 1473 M CA -0.919 54.173 55.300 -0.347 0.000 1.016 1473 M CB 1.554 33.812 32.600 -0.570 0.000 1.665 1473 M HN 0.355 nan 8.290 nan 0.000 0.445 1474 V N 3.485 123.367 119.914 -0.053 0.000 2.577 1474 V HA 0.478 4.599 4.120 0.002 0.000 0.303 1474 V C -0.550 175.548 176.094 0.008 0.000 1.042 1474 V CA -0.830 61.438 62.300 -0.053 0.000 0.872 1474 V CB 2.175 33.955 31.823 -0.073 0.000 0.998 1474 V HN 0.639 nan 8.190 nan 0.000 0.423 1475 V N 3.400 123.269 119.914 -0.076 0.000 2.357 1475 V HA 0.629 4.750 4.120 0.002 0.000 0.284 1475 V C 0.126 176.034 176.094 -0.311 0.000 1.018 1475 V CA -0.009 62.107 62.300 -0.307 0.000 0.841 1475 V CB 1.595 33.105 31.823 -0.522 0.000 0.991 1475 V HN 0.884 nan 8.190 nan 0.000 0.437 1476 S N 3.752 119.380 115.700 -0.120 0.000 2.568 1476 S HA 0.555 5.026 4.470 0.002 0.000 0.293 1476 S C -0.572 174.297 174.600 0.447 0.000 1.089 1476 S CA -0.870 57.444 58.200 0.189 0.000 0.945 1476 S CB 1.579 64.904 63.200 0.209 0.000 1.077 1476 S HN 0.683 nan 8.310 nan 0.000 0.485 1477 K N 2.651 123.275 120.400 0.374 0.000 2.276 1477 K HA 0.228 4.549 4.320 0.002 0.000 0.283 1477 K C -1.962 174.748 176.600 0.184 0.000 1.044 1477 K CA -1.781 54.637 56.287 0.219 0.000 0.944 1477 K CB 0.735 33.267 32.500 0.052 0.000 1.012 1477 K HN 0.312 nan 8.250 nan 0.000 0.472 1478 P HA -0.176 nan 4.420 nan 0.000 0.228 1478 P C 0.495 177.809 177.300 0.023 0.000 1.151 1478 P CA 0.964 64.101 63.100 0.063 0.000 0.770 1478 P CB 0.257 31.975 31.700 0.030 0.000 0.786 1479 E N -0.022 120.198 120.200 0.034 0.000 2.072 1479 E HA -0.111 4.240 4.350 0.002 0.000 0.191 1479 E C 1.824 178.443 176.600 0.031 0.000 0.985 1479 E CA 0.891 57.303 56.400 0.019 0.000 0.801 1479 E CB -1.299 28.407 29.700 0.009 0.000 0.750 1479 E HN 0.200 nan 8.360 nan 0.000 0.452 1480 L N 0.974 122.232 121.223 0.058 0.000 2.351 1480 L HA -0.103 4.238 4.340 0.002 0.000 0.220 1480 L C 1.443 178.354 176.870 0.069 0.000 1.127 1480 L CA 1.697 56.581 54.840 0.073 0.000 0.786 1480 L CB -2.129 39.995 42.059 0.108 0.000 0.914 1480 L HN 0.298 nan 8.230 nan 0.000 0.443 1481 G N -0.092 108.736 108.800 0.046 0.000 2.645 1481 G HA2 -0.317 3.644 3.960 0.002 0.000 0.239 1481 G HA3 -0.317 3.644 3.960 0.002 0.000 0.239 1481 G C 0.186 175.110 174.900 0.040 0.000 1.331 1481 G CA -0.020 45.087 45.100 0.011 0.000 0.890 1481 G HN 0.383 nan 8.290 nan 0.000 0.572 1482 N N 0.186 118.897 118.700 0.019 0.000 2.492 1482 N HA 0.276 5.018 4.740 0.002 0.000 0.262 1482 N C 0.090 175.641 175.510 0.069 0.000 1.202 1482 N CA -0.064 53.027 53.050 0.068 0.000 0.926 1482 N CB 0.063 38.566 38.487 0.027 0.000 1.078 1482 N HN 0.414 nan 8.380 nan 0.000 0.454 1483 I N 5.105 125.717 120.570 0.071 0.000 2.355 1483 I HA 0.323 4.494 4.170 0.002 0.000 0.288 1483 I C -2.044 173.962 176.117 -0.184 0.000 0.999 1483 I CA -1.937 59.356 61.300 -0.011 0.000 1.163 1483 I CB 1.152 39.180 38.000 0.046 0.000 1.316 1483 I HN 0.338 nan 8.210 nan 0.000 0.454 1484 P HA 0.255 nan 4.420 nan 0.000 0.278 1484 P C -1.300 175.850 177.300 -0.250 0.000 1.266 1484 P CA -0.319 62.648 63.100 -0.223 0.000 0.807 1484 P CB 0.722 32.386 31.700 -0.059 0.000 1.094 1485 Y N -0.506 119.875 120.300 0.135 0.000 2.341 1485 Y HA 0.429 4.980 4.550 0.002 0.000 0.340 1485 Y C 1.116 177.090 175.900 0.125 0.000 0.997 1485 Y CA -1.072 57.133 58.100 0.175 0.000 1.149 1485 Y CB 0.866 39.394 38.460 0.113 0.000 1.171 1485 Y HN 0.355 nan 8.280 nan 0.000 0.494 1486 A N 6.217 129.206 122.820 0.281 0.000 2.492 1486 A HA 0.153 4.474 4.320 0.002 0.000 0.254 1486 A C -1.463 176.239 177.584 0.197 0.000 1.091 1486 A CA -1.215 50.913 52.037 0.152 0.000 0.768 1486 A CB 0.011 19.045 19.000 0.056 0.000 1.028 1486 A HN 0.631 nan 8.150 nan 0.000 0.498 1487 P HA -0.068 nan 4.420 nan 0.000 0.222 1487 P C 0.177 177.654 177.300 0.295 0.000 1.147 1487 P CA 1.059 64.297 63.100 0.230 0.000 0.790 1487 P CB -0.064 31.743 31.700 0.178 0.000 0.780 1488 I N -0.192 120.514 120.570 0.226 0.000 2.325 1488 I HA 0.189 4.360 4.170 0.002 0.000 0.291 1488 I C 1.616 177.831 176.117 0.163 0.000 1.019 1488 I CA -0.607 60.785 61.300 0.154 0.000 1.302 1488 I CB 1.491 39.548 38.000 0.094 0.000 1.401 1488 I HN -0.135 nan 8.210 nan 0.000 0.485 1489 A N 4.523 127.445 122.820 0.171 0.000 1.972 1489 A HA -0.153 4.168 4.320 0.002 0.000 0.219 1489 A C 2.120 179.816 177.584 0.186 0.000 1.169 1489 A CA 2.194 54.332 52.037 0.168 0.000 0.635 1489 A CB -0.722 18.363 19.000 0.141 0.000 0.810 1489 A HN 0.814 nan 8.150 nan 0.000 0.446 1490 T N -1.768 112.896 114.554 0.183 0.000 3.067 1490 T HA 0.109 4.461 4.350 0.002 0.000 0.261 1490 T C 0.578 175.383 174.700 0.175 0.000 1.110 1490 T CA 0.306 62.522 62.100 0.192 0.000 1.113 1490 T CB -0.174 68.804 68.868 0.184 0.000 0.917 1490 T HN 0.566 nan 8.240 nan 0.000 0.499 1491 E N 0.999 121.273 120.200 0.123 0.000 2.343 1491 E HA 0.475 4.827 4.350 0.002 0.000 0.269 1491 E C -0.616 175.916 176.600 -0.112 0.000 1.047 1491 E CA -0.404 56.015 56.400 0.031 0.000 0.874 1491 E CB 1.140 30.845 29.700 0.008 0.000 1.033 1491 E HN 0.422 nan 8.360 nan 0.000 0.409 1492 I N 3.580 123.932 120.570 -0.364 0.000 2.362 1492 I HA 0.197 4.368 4.170 0.002 0.000 0.289 1492 I C -1.919 173.675 176.117 -0.873 0.000 0.994 1492 I CA -2.214 58.503 61.300 -0.972 0.000 1.158 1492 I CB 1.595 38.807 38.000 -1.313 0.000 1.315 1492 I HN 0.282 nan 8.210 nan 0.000 0.451 1493 P HA 0.120 nan 4.420 nan 0.000 0.228 1493 P C 0.837 177.999 177.300 -0.230 0.000 1.748 1493 P CA -0.027 62.864 63.100 -0.347 0.000 0.909 1493 P CB -0.309 31.260 31.700 -0.219 0.000 1.882 1494 F N 1.910 121.755 119.950 -0.174 0.000 2.087 1494 F HA -0.289 4.240 4.527 0.002 0.000 0.299 1494 F C 2.103 178.000 175.800 0.162 0.000 1.100 1494 F CA 1.575 59.490 58.000 -0.141 0.000 1.226 1494 F CB -0.901 37.794 39.000 -0.508 0.000 0.983 1494 F HN 0.166 nan 8.300 nan 0.000 0.479 1495 E N 0.032 120.557 120.200 0.542 0.000 2.448 1495 E HA -0.264 4.088 4.350 0.002 0.000 0.203 1495 E C 1.454 178.175 176.600 0.202 0.000 1.046 1495 E CA 1.326 57.972 56.400 0.411 0.000 0.871 1495 E CB -0.553 29.305 29.700 0.265 0.000 0.790 1495 E HN 0.540 nan 8.360 nan 0.000 0.545 1496 Q N -0.204 119.687 119.800 0.152 0.000 2.189 1496 Q HA 0.293 4.635 4.340 0.002 0.000 0.223 1496 Q C -0.348 175.698 176.000 0.076 0.000 0.828 1496 Q CA -0.236 55.620 55.803 0.087 0.000 0.967 1496 Q CB 0.607 29.374 28.738 0.048 0.000 1.139 1496 Q HN 0.295 nan 8.270 nan 0.000 0.497 1497 I N 2.774 123.407 120.570 0.105 0.000 2.471 1497 I HA 0.077 4.248 4.170 0.002 0.000 0.286 1497 I C -0.228 175.942 176.117 0.087 0.000 1.079 1497 I CA 0.214 61.569 61.300 0.090 0.000 1.398 1497 I CB 0.705 38.772 38.000 0.110 0.000 1.403 1497 I HN -0.106 nan 8.210 nan 0.000 0.530 1498 K N 6.870 127.307 120.400 0.062 0.000 2.419 1498 K HA 0.470 4.791 4.320 0.002 0.000 0.244 1498 K C -2.505 174.120 176.600 0.041 0.000 1.045 1498 K CA -1.642 54.675 56.287 0.050 0.000 1.004 1498 K CB 0.476 32.998 32.500 0.037 0.000 1.376 1498 K HN 0.257 nan 8.250 nan 0.000 0.460 1499 P HA 0.000 nan 4.420 nan 0.000 0.216 1499 P CA 0.000 63.120 63.100 0.034 0.000 0.800 1499 P CB 0.000 31.720 31.700 0.033 0.000 0.726