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 1v7y_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MERYESLFAQ LKERKEGAFV PFVTLGDPGI EQSLKIIDTL IEAGADALEL DATA SEQUENCE GIPFSXXXXX XXXXXXATLR AFAAGVTPAQ CFEMLALIRQ KHPTIPIGLL DATA SEQUENCE MYANLVFNKG IDEFYAQCEK VGVDSVLVAD VPVEESAPFR QAALRHNVAP DATA SEQUENCE IFICPPNADD DLLRQIASYG RGYTYLLSRA XXXXXXXXAA LPLNHLVAKL DATA SEQUENCE KEYNAAPPLQ GFGISAPDQV KAAIDAGAAG AISGSAIVKI IEQHINEPEK DATA SEQUENCE MLAALKVFVQ PMKAATRS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.322 176.300 0.037 0.000 1.140 1001 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1001 M CB 0.000 32.608 32.600 0.014 0.000 1.302 1002 E N 3.238 123.465 120.200 0.046 0.000 2.207 1002 E HA 0.403 4.754 4.350 0.002 0.000 0.250 1002 E C 0.318 176.944 176.600 0.043 0.000 0.890 1002 E CA -0.145 56.299 56.400 0.072 0.000 0.749 1002 E CB 1.283 31.048 29.700 0.109 0.000 1.193 1002 E HN 0.678 nan 8.360 nan 0.000 0.423 1003 R N 2.181 122.670 120.500 -0.020 0.000 2.115 1003 R HA -0.205 4.137 4.340 0.002 0.000 0.239 1003 R C 1.480 177.671 176.300 -0.181 0.000 1.133 1003 R CA 2.141 58.156 56.100 -0.141 0.000 0.935 1003 R CB -0.559 29.572 30.300 -0.281 0.000 0.853 1003 R HN 0.541 nan 8.270 nan 0.000 0.433 1004 Y N 0.395 120.632 120.300 -0.105 0.000 2.081 1004 Y HA -0.287 4.263 4.550 0.002 0.000 0.280 1004 Y C 2.495 178.285 175.900 -0.184 0.000 1.163 1004 Y CA 1.999 59.939 58.100 -0.265 0.000 1.135 1004 Y CB -0.585 37.838 38.460 -0.062 0.000 0.970 1004 Y HN 0.297 nan 8.280 nan 0.000 0.498 1005 E N -0.427 119.909 120.200 0.227 0.000 2.070 1005 E HA -0.274 4.077 4.350 0.002 0.000 0.197 1005 E C 2.512 179.201 176.600 0.148 0.000 1.004 1005 E CA 1.611 58.156 56.400 0.241 0.000 0.805 1005 E CB -0.289 29.523 29.700 0.186 0.000 0.744 1005 E HN 0.351 nan 8.360 nan 0.000 0.451 1006 S N -0.097 115.641 115.700 0.063 0.000 2.368 1006 S HA -0.164 4.307 4.470 0.002 0.000 0.225 1006 S C 2.014 176.617 174.600 0.006 0.000 1.030 1006 S CA 1.151 59.370 58.200 0.031 0.000 0.999 1006 S CB -0.364 62.836 63.200 0.000 0.000 0.844 1006 S HN 0.363 nan 8.310 nan 0.000 0.459 1007 L N 0.955 122.129 121.223 -0.082 0.000 1.994 1007 L HA 0.075 4.416 4.340 0.002 0.000 0.208 1007 L C 2.011 178.873 176.870 -0.014 0.000 1.071 1007 L CA 2.037 56.799 54.840 -0.130 0.000 0.745 1007 L CB -1.164 40.703 42.059 -0.319 0.000 0.892 1007 L HN 0.468 nan 8.230 nan 0.000 0.431 1008 F N -0.262 119.735 119.950 0.079 0.000 2.202 1008 F HA -0.262 4.266 4.527 0.002 0.000 0.301 1008 F C 2.455 178.286 175.800 0.052 0.000 1.082 1008 F CA 0.641 58.685 58.000 0.074 0.000 1.313 1008 F CB -0.514 38.546 39.000 0.100 0.000 1.024 1008 F HN 0.308 nan 8.300 nan 0.000 0.495 1009 A N -0.032 122.922 122.820 0.224 0.000 1.898 1009 A HA -0.213 4.108 4.320 0.002 0.000 0.216 1009 A C 2.064 179.707 177.584 0.098 0.000 1.181 1009 A CA 1.399 53.518 52.037 0.137 0.000 0.620 1009 A CB -0.653 18.408 19.000 0.102 0.000 0.819 1009 A HN 0.433 nan 8.150 nan 0.000 0.442 1010 Q N -0.351 119.499 119.800 0.083 0.000 2.167 1010 Q HA -0.028 4.313 4.340 0.002 0.000 0.202 1010 Q C 2.010 178.049 176.000 0.066 0.000 0.970 1010 Q CA 1.195 57.032 55.803 0.057 0.000 0.855 1010 Q CB -0.310 28.449 28.738 0.034 0.000 0.911 1010 Q HN 0.662 nan 8.270 nan 0.000 0.438 1011 L N 0.626 121.908 121.223 0.099 0.000 2.044 1011 L HA -0.153 4.188 4.340 0.002 0.000 0.205 1011 L C 2.202 179.123 176.870 0.084 0.000 1.075 1011 L CA 1.173 56.074 54.840 0.102 0.000 0.747 1011 L CB -0.320 41.836 42.059 0.162 0.000 0.903 1011 L HN 0.108 nan 8.230 nan 0.000 0.435 1012 K N -0.032 120.425 120.400 0.094 0.000 2.209 1012 K HA -0.229 4.092 4.320 0.002 0.000 0.204 1012 K C 1.963 178.589 176.600 0.044 0.000 1.048 1012 K CA 1.240 57.563 56.287 0.061 0.000 0.940 1012 K CB -0.077 32.458 32.500 0.059 0.000 0.729 1012 K HN 0.326 nan 8.250 nan 0.000 0.451 1013 E N 1.150 121.378 120.200 0.047 0.000 2.216 1013 E HA -0.112 4.239 4.350 0.002 0.000 0.192 1013 E C 1.135 177.752 176.600 0.028 0.000 0.988 1013 E CA 0.609 57.030 56.400 0.034 0.000 0.834 1013 E CB 0.305 30.026 29.700 0.033 0.000 0.772 1013 E HN 0.199 nan 8.360 nan 0.000 0.479 1014 R N 0.428 120.947 120.500 0.031 0.000 2.466 1014 R HA 0.155 4.496 4.340 0.002 0.000 0.279 1014 R C -0.167 176.146 176.300 0.023 0.000 0.976 1014 R CA -0.079 56.036 56.100 0.024 0.000 1.081 1014 R CB 0.194 30.509 30.300 0.025 0.000 1.215 1014 R HN -0.016 nan 8.270 nan 0.000 0.546 1015 K N 1.738 122.153 120.400 0.024 0.000 3.177 1015 K HA -0.243 4.078 4.320 0.002 0.000 0.266 1015 K C -0.434 176.179 176.600 0.021 0.000 0.937 1015 K CA 0.914 57.213 56.287 0.019 0.000 0.702 1015 K CB -0.893 31.614 32.500 0.011 0.000 1.365 1015 K HN 0.397 nan 8.250 nan 0.000 0.466 1016 E N -0.719 119.502 120.200 0.034 0.000 2.277 1016 E HA 0.588 4.939 4.350 0.002 0.000 0.266 1016 E C 0.054 176.688 176.600 0.058 0.000 0.901 1016 E CA -0.694 55.730 56.400 0.039 0.000 0.782 1016 E CB 1.682 31.406 29.700 0.040 0.000 1.228 1016 E HN 0.269 nan 8.360 nan 0.000 0.424 1017 G N 0.424 109.260 108.800 0.060 0.000 2.509 1017 G HA2 0.626 4.587 3.960 0.002 0.000 0.328 1017 G HA3 0.626 4.587 3.960 0.002 0.000 0.328 1017 G C -1.145 173.824 174.900 0.115 0.000 1.194 1017 G CA -0.445 44.703 45.100 0.081 0.000 0.967 1017 G HN 0.518 nan 8.290 nan 0.000 0.488 1018 A N -0.206 122.702 122.820 0.147 0.000 2.290 1018 A HA 0.633 4.954 4.320 0.002 0.000 0.310 1018 A C -1.244 176.432 177.584 0.155 0.000 1.202 1018 A CA -0.540 51.586 52.037 0.148 0.000 0.837 1018 A CB 0.725 19.835 19.000 0.184 0.000 1.139 1018 A HN 0.823 nan 8.150 nan 0.000 0.509 1019 F N 3.802 123.756 119.950 0.006 0.000 2.388 1019 F HA 0.553 5.081 4.527 0.002 0.000 0.358 1019 F C -0.783 175.014 175.800 -0.005 0.000 1.122 1019 F CA -1.011 56.986 58.000 -0.005 0.000 1.056 1019 F CB 1.455 40.443 39.000 -0.020 0.000 1.155 1019 F HN 0.214 nan 8.300 nan 0.000 0.461 1020 V N 9.187 128.689 119.914 -0.687 0.000 2.275 1020 V HA 0.336 4.457 4.120 0.002 0.000 0.272 1020 V C -2.047 173.654 176.094 -0.655 0.000 1.028 1020 V CA -1.613 60.348 62.300 -0.565 0.000 0.810 1020 V CB 0.729 32.385 31.823 -0.278 0.000 1.043 1020 V HN 0.621 nan 8.190 nan 0.000 0.453 1021 P HA 0.255 nan 4.420 nan 0.000 0.274 1021 P C -1.000 176.263 177.300 -0.061 0.000 1.246 1021 P CA -0.241 62.654 63.100 -0.342 0.000 0.795 1021 P CB 1.267 32.864 31.700 -0.171 0.000 1.006 1022 F N 1.941 121.836 119.950 -0.092 0.000 2.551 1022 F HA 0.631 5.159 4.527 0.002 0.000 0.316 1022 F C -1.640 174.139 175.800 -0.036 0.000 1.089 1022 F CA -0.899 57.071 58.000 -0.051 0.000 0.915 1022 F CB 1.751 40.742 39.000 -0.015 0.000 1.186 1022 F HN 0.207 nan 8.300 nan 0.000 0.456 1023 V N 4.225 123.560 119.914 -0.966 0.000 2.969 1023 V HA 0.449 4.570 4.120 0.002 0.000 0.304 1023 V C -0.939 174.599 176.094 -0.926 0.000 1.192 1023 V CA -0.370 61.522 62.300 -0.680 0.000 0.962 1023 V CB 2.481 34.127 31.823 -0.294 0.000 1.045 1023 V HN 0.919 nan 8.190 nan 0.000 0.428 1024 T N 6.283 120.528 114.554 -0.515 0.000 2.832 1024 T HA 0.381 4.732 4.350 0.002 0.000 0.296 1024 T C -0.238 174.328 174.700 -0.224 0.000 0.968 1024 T CA 0.035 61.944 62.100 -0.319 0.000 1.107 1024 T CB 0.744 69.569 68.868 -0.072 0.000 0.916 1024 T HN 0.510 nan 8.240 nan 0.000 0.517 1025 L N 3.962 125.064 121.223 -0.203 0.000 2.477 1025 L HA 0.420 4.761 4.340 0.002 0.000 0.272 1025 L C 1.253 178.065 176.870 -0.096 0.000 1.157 1025 L CA 1.310 56.059 54.840 -0.151 0.000 0.889 1025 L CB -0.244 41.721 42.059 -0.156 0.000 1.158 1025 L HN 0.990 nan 8.230 nan 0.000 0.473 1026 G N 2.627 111.380 108.800 -0.078 0.000 2.148 1026 G HA2 -0.202 3.760 3.960 0.002 0.000 0.203 1026 G HA3 -0.202 3.760 3.960 0.002 0.000 0.203 1026 G C -0.219 174.658 174.900 -0.038 0.000 0.993 1026 G CA -0.067 45.004 45.100 -0.049 0.000 0.661 1026 G HN 0.592 nan 8.290 nan 0.000 0.518 1027 D N -0.014 120.358 120.400 -0.047 0.000 2.308 1027 D HA 0.547 5.188 4.640 0.002 0.000 0.242 1027 D C -1.430 174.853 176.300 -0.029 0.000 1.059 1027 D CA -1.603 52.379 54.000 -0.031 0.000 0.830 1027 D CB 2.038 42.820 40.800 -0.029 0.000 1.161 1027 D HN 0.007 nan 8.370 nan 0.000 0.494 1028 P HA 0.160 nan 4.420 nan 0.000 0.227 1028 P C 0.127 177.421 177.300 -0.010 0.000 1.161 1028 P CA 0.139 63.235 63.100 -0.007 0.000 0.788 1028 P CB 0.653 32.353 31.700 0.001 0.000 0.822 1029 G N -1.850 106.943 108.800 -0.013 0.000 2.695 1029 G HA2 0.364 4.325 3.960 0.002 0.000 0.290 1029 G HA3 0.364 4.325 3.960 0.002 0.000 0.290 1029 G C 0.384 175.274 174.900 -0.017 0.000 1.410 1029 G CA -0.600 44.492 45.100 -0.012 0.000 0.844 1029 G HN -0.129 nan 8.290 nan 0.000 0.478 1030 I N -0.372 120.189 120.570 -0.015 0.000 2.127 1030 I HA -0.186 3.985 4.170 0.002 0.000 0.241 1030 I C 2.649 178.757 176.117 -0.015 0.000 1.075 1030 I CA 1.922 63.212 61.300 -0.017 0.000 1.334 1030 I CB -0.024 37.970 38.000 -0.011 0.000 1.040 1030 I HN 0.700 nan 8.210 nan 0.000 0.405 1031 E N 0.680 120.874 120.200 -0.009 0.000 2.038 1031 E HA -0.276 4.075 4.350 0.002 0.000 0.195 1031 E C 2.262 178.857 176.600 -0.009 0.000 1.000 1031 E CA 1.541 57.937 56.400 -0.007 0.000 0.803 1031 E CB -0.055 29.643 29.700 -0.003 0.000 0.750 1031 E HN 0.269 nan 8.360 nan 0.000 0.448 1032 Q N 0.007 119.801 119.800 -0.010 0.000 2.050 1032 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 1032 Q C 2.388 178.376 176.000 -0.020 0.000 0.980 1032 Q CA 1.531 57.328 55.803 -0.011 0.000 0.840 1032 Q CB -0.796 27.937 28.738 -0.009 0.000 0.898 1032 Q HN 0.269 nan 8.270 nan 0.000 0.424 1033 S N 0.052 115.735 115.700 -0.029 0.000 2.387 1033 S HA -0.111 4.360 4.470 0.002 0.000 0.230 1033 S C 1.972 176.546 174.600 -0.043 0.000 1.035 1033 S CA 0.963 59.136 58.200 -0.045 0.000 1.014 1033 S CB -0.136 63.031 63.200 -0.055 0.000 0.836 1033 S HN 0.345 nan 8.310 nan 0.000 0.466 1034 L N 0.326 121.532 121.223 -0.028 0.000 2.093 1034 L HA -0.034 4.307 4.340 0.002 0.000 0.208 1034 L C 2.576 179.443 176.870 -0.005 0.000 1.085 1034 L CA 1.213 56.044 54.840 -0.016 0.000 0.755 1034 L CB -0.357 41.699 42.059 -0.005 0.000 0.904 1034 L HN 0.239 nan 8.230 nan 0.000 0.435 1035 K N 0.190 120.586 120.400 -0.007 0.000 2.167 1035 K HA -0.118 4.203 4.320 0.002 0.000 0.203 1035 K C 2.034 178.628 176.600 -0.010 0.000 1.052 1035 K CA 1.213 57.499 56.287 -0.002 0.000 0.956 1035 K CB -0.116 32.383 32.500 -0.002 0.000 0.735 1035 K HN 0.297 nan 8.250 nan 0.000 0.451 1036 I N -1.126 119.430 120.570 -0.022 0.000 2.353 1036 I HA -0.148 4.023 4.170 0.002 0.000 0.248 1036 I C 1.750 177.845 176.117 -0.037 0.000 1.119 1036 I CA 1.438 62.721 61.300 -0.028 0.000 1.417 1036 I CB -0.211 37.767 38.000 -0.037 0.000 1.078 1036 I HN -0.024 nan 8.210 nan 0.000 0.421 1037 I N 1.206 121.744 120.570 -0.052 0.000 2.315 1037 I HA -0.216 3.955 4.170 0.002 0.000 0.248 1037 I C 2.001 178.062 176.117 -0.094 0.000 1.117 1037 I CA 1.379 62.630 61.300 -0.082 0.000 1.404 1037 I CB -0.613 37.331 38.000 -0.094 0.000 1.071 1037 I HN 0.234 nan 8.210 nan 0.000 0.419 1038 D N 0.373 120.752 120.400 -0.035 0.000 2.117 1038 D HA -0.145 4.496 4.640 0.002 0.000 0.197 1038 D C 2.235 178.526 176.300 -0.016 0.000 0.987 1038 D CA 1.513 55.515 54.000 0.003 0.000 0.829 1038 D CB -0.319 40.529 40.800 0.081 0.000 0.961 1038 D HN 0.236 nan 8.370 nan 0.000 0.460 1039 T N 1.008 115.556 114.554 -0.008 0.000 2.708 1039 T HA -0.117 4.234 4.350 0.002 0.000 0.266 1039 T C 1.909 176.610 174.700 0.002 0.000 1.037 1039 T CA 0.431 62.531 62.100 0.001 0.000 1.146 1039 T CB -0.277 68.592 68.868 0.002 0.000 0.865 1039 T HN -0.001 nan 8.240 nan 0.000 0.435 1040 L N 0.742 121.962 121.223 -0.005 0.000 2.043 1040 L HA -0.065 4.276 4.340 0.002 0.000 0.212 1040 L C 2.281 179.153 176.870 0.003 0.000 1.075 1040 L CA 1.507 56.361 54.840 0.022 0.000 0.752 1040 L CB -0.847 41.208 42.059 -0.006 0.000 0.891 1040 L HN 0.335 nan 8.230 nan 0.000 0.432 1041 I N -1.223 119.303 120.570 -0.074 0.000 2.202 1041 I HA -0.266 3.905 4.170 0.002 0.000 0.242 1041 I C 2.495 178.592 176.117 -0.034 0.000 1.091 1041 I CA 1.215 62.452 61.300 -0.105 0.000 1.368 1041 I CB -0.358 37.471 38.000 -0.286 0.000 1.058 1041 I HN 0.376 nan 8.210 nan 0.000 0.410 1042 E N 1.483 121.674 120.200 -0.015 0.000 2.160 1042 E HA -0.257 4.094 4.350 0.002 0.000 0.195 1042 E C 2.205 178.813 176.600 0.014 0.000 0.991 1042 E CA 1.376 57.783 56.400 0.012 0.000 0.810 1042 E CB 0.028 29.740 29.700 0.020 0.000 0.742 1042 E HN 0.499 nan 8.360 nan 0.000 0.466 1043 A N -0.094 122.739 122.820 0.021 0.000 1.968 1043 A HA 0.067 4.388 4.320 0.002 0.000 0.217 1043 A C 1.903 179.503 177.584 0.027 0.000 1.169 1043 A CA 1.582 53.634 52.037 0.025 0.000 0.638 1043 A CB -0.101 18.926 19.000 0.045 0.000 0.812 1043 A HN 0.493 nan 8.150 nan 0.000 0.446 1044 G N -3.076 105.755 108.800 0.052 0.000 3.290 1044 G HA2 0.349 4.310 3.960 0.002 0.000 0.220 1044 G HA3 0.349 4.310 3.960 0.002 0.000 0.220 1044 G C 0.231 175.209 174.900 0.130 0.000 0.940 1044 G CA 0.065 45.203 45.100 0.065 0.000 0.884 1044 G HN 1.186 nan 8.290 nan 0.000 0.649 1045 A N 0.792 123.692 122.820 0.134 0.000 2.524 1045 A HA 0.483 4.804 4.320 0.002 0.000 0.250 1045 A C 1.105 178.687 177.584 -0.003 0.000 1.078 1045 A CA 0.898 52.989 52.037 0.091 0.000 0.761 1045 A CB 0.235 19.226 19.000 -0.015 0.000 1.012 1045 A HN 0.241 nan 8.150 nan 0.000 0.500 1046 D N 1.182 121.573 120.400 -0.015 0.000 2.271 1046 D HA 0.263 4.904 4.640 0.002 0.000 0.206 1046 D C 0.725 176.947 176.300 -0.129 0.000 0.967 1046 D CA 1.578 55.547 54.000 -0.053 0.000 0.867 1046 D CB 0.307 41.096 40.800 -0.019 0.000 0.960 1046 D HN 0.694 nan 8.370 nan 0.000 0.509 1047 A N 0.331 123.057 122.820 -0.156 0.000 2.609 1047 A HA 0.543 4.864 4.320 0.002 0.000 0.291 1047 A C -1.711 175.767 177.584 -0.176 0.000 1.096 1047 A CA -0.602 51.321 52.037 -0.191 0.000 0.684 1047 A CB 1.603 20.482 19.000 -0.201 0.000 1.282 1047 A HN -0.041 nan 8.150 nan 0.000 0.412 1048 L N 0.698 121.828 121.223 -0.154 0.000 2.334 1048 L HA 0.718 5.059 4.340 0.002 0.000 0.273 1048 L C -0.315 176.514 176.870 -0.068 0.000 1.013 1048 L CA -0.315 54.446 54.840 -0.132 0.000 0.816 1048 L CB 1.470 43.445 42.059 -0.141 0.000 1.278 1048 L HN 0.917 nan 8.230 nan 0.000 0.431 1049 E N 2.565 122.735 120.200 -0.050 0.000 2.267 1049 E HA 0.493 4.844 4.350 0.002 0.000 0.248 1049 E C -1.453 175.108 176.600 -0.066 0.000 0.899 1049 E CA -0.164 56.272 56.400 0.060 0.000 0.764 1049 E CB 0.682 30.494 29.700 0.186 0.000 1.227 1049 E HN 0.428 nan 8.360 nan 0.000 0.421 1050 L N 3.051 124.212 121.223 -0.103 0.000 2.295 1050 L HA 0.686 5.027 4.340 0.002 0.000 0.285 1050 L C 0.811 177.552 176.870 -0.215 0.000 1.035 1050 L CA -1.179 53.505 54.840 -0.261 0.000 0.806 1050 L CB 1.907 43.849 42.059 -0.196 0.000 1.214 1050 L HN 0.573 nan 8.230 nan 0.000 0.426 1051 G N 4.083 112.642 108.800 -0.403 0.000 2.356 1051 G HA2 0.552 4.513 3.960 0.002 0.000 0.298 1051 G HA3 0.552 4.513 3.960 0.002 0.000 0.298 1051 G C -0.410 174.425 174.900 -0.108 0.000 1.145 1051 G CA -0.440 44.596 45.100 -0.107 0.000 0.850 1051 G HN 0.325 nan 8.290 nan 0.000 0.487 1052 I N 4.238 124.768 120.570 -0.067 0.000 2.330 1052 I HA 0.295 4.466 4.170 0.002 0.000 0.289 1052 I C -1.756 174.359 176.117 -0.003 0.000 1.001 1052 I CA -2.472 58.778 61.300 -0.083 0.000 1.193 1052 I CB 1.192 39.107 38.000 -0.141 0.000 1.345 1052 I HN 0.342 nan 8.210 nan 0.000 0.461 1053 P HA 0.524 nan 4.420 nan 0.000 0.278 1053 P C -1.030 176.412 177.300 0.237 0.000 1.266 1053 P CA -0.188 62.981 63.100 0.114 0.000 0.807 1053 P CB 2.046 33.788 31.700 0.070 0.000 1.094 1054 F N -1.375 118.587 119.950 0.020 0.000 2.900 1054 F HA 0.404 4.932 4.527 0.002 0.000 0.321 1054 F C -1.335 174.473 175.800 0.014 0.000 1.160 1054 F CA -0.264 57.748 58.000 0.019 0.000 0.890 1054 F CB 1.461 40.481 39.000 0.032 0.000 1.334 1054 F HN 0.358 nan 8.300 nan 0.000 0.459 1068 T N -2.704 111.900 114.554 0.083 0.000 3.431 1068 T HA 0.654 5.005 4.350 0.002 0.000 0.207 1068 T C -0.254 174.484 174.700 0.064 0.000 0.979 1068 T CA 0.670 62.812 62.100 0.071 0.000 1.141 1068 T CB -0.035 68.891 68.868 0.096 0.000 1.278 1068 T HN 0.471 nan 8.240 nan 0.000 0.334 1069 L N 0.769 122.055 121.223 0.104 0.000 2.393 1069 L HA 0.615 4.956 4.340 0.002 0.000 0.260 1069 L C 1.191 178.123 176.870 0.103 0.000 1.002 1069 L CA -0.830 54.061 54.840 0.084 0.000 0.818 1069 L CB 2.093 44.194 42.059 0.071 0.000 1.369 1069 L HN 0.129 nan 8.230 nan 0.000 0.412 1070 R N 0.969 121.510 120.500 0.068 0.000 2.091 1070 R HA -0.136 4.205 4.340 0.002 0.000 0.238 1070 R C 1.766 178.106 176.300 0.067 0.000 1.136 1070 R CA 1.557 57.691 56.100 0.055 0.000 0.959 1070 R CB -0.402 29.920 30.300 0.037 0.000 0.856 1070 R HN 0.826 nan 8.270 nan 0.000 0.437 1071 A N 0.553 123.423 122.820 0.083 0.000 2.024 1071 A HA -0.165 4.156 4.320 0.002 0.000 0.220 1071 A C 1.489 179.164 177.584 0.152 0.000 1.164 1071 A CA 1.081 53.175 52.037 0.095 0.000 0.643 1071 A CB -0.291 18.763 19.000 0.090 0.000 0.806 1071 A HN 0.268 nan 8.150 nan 0.000 0.451 1072 F N -0.091 119.859 119.950 0.001 0.000 2.557 1072 F HA 0.583 5.111 4.527 0.002 0.000 0.203 1072 F C 1.281 177.081 175.800 -0.001 0.000 1.189 1072 F CA -0.213 57.787 58.000 -0.000 0.000 0.935 1072 F CB -0.683 38.316 39.000 -0.002 0.000 1.191 1072 F HN 0.119 nan 8.300 nan 0.000 0.665 1073 A N 1.288 124.074 122.820 -0.056 0.000 2.494 1073 A HA 0.329 4.650 4.320 0.002 0.000 0.291 1073 A C 0.071 177.583 177.584 -0.121 0.000 0.951 1073 A CA 1.023 52.973 52.037 -0.145 0.000 1.099 1073 A CB -1.660 17.388 19.000 0.080 0.000 0.783 1073 A HN 1.251 nan 8.150 nan 0.000 0.433 1074 A N 2.135 124.843 122.820 -0.187 0.000 5.650 1074 A HA 0.984 5.305 4.320 0.002 0.000 0.194 1074 A C 0.780 178.302 177.584 -0.104 0.000 0.895 1074 A CA 0.414 52.387 52.037 -0.106 0.000 0.804 1074 A CB -0.467 18.483 19.000 -0.083 0.000 2.103 1074 A HN 2.932 nan 8.150 nan 0.000 1.022 1075 G N -2.374 106.383 108.800 -0.072 0.000 2.699 1075 G HA2 0.370 4.331 3.960 0.002 0.000 0.686 1075 G HA3 0.370 4.331 3.960 0.002 0.000 0.686 1075 G C -0.666 174.227 174.900 -0.012 0.000 1.301 1075 G CA -0.337 44.735 45.100 -0.046 0.000 0.816 1075 G HN 1.729 nan 8.290 nan 0.000 0.595 1076 V N 1.593 121.513 119.914 0.010 0.000 2.481 1076 V HA 0.681 4.802 4.120 0.002 0.000 0.286 1076 V C 1.369 177.503 176.094 0.066 0.000 1.042 1076 V CA 0.251 62.566 62.300 0.024 0.000 0.928 1076 V CB 1.318 33.146 31.823 0.009 0.000 0.986 1076 V HN 1.455 nan 8.190 nan 0.000 0.462 1077 T N 2.766 117.364 114.554 0.075 0.000 2.882 1077 T HA 0.284 4.635 4.350 0.002 0.000 0.287 1077 T C -1.786 172.995 174.700 0.134 0.000 1.014 1077 T CA -1.618 60.559 62.100 0.127 0.000 1.049 1077 T CB 1.328 70.260 68.868 0.106 0.000 1.001 1077 T HN 0.420 nan 8.240 nan 0.000 0.525 1078 P HA -0.065 nan 4.420 nan 0.000 0.215 1078 P C 1.709 179.154 177.300 0.242 0.000 1.153 1078 P CA 1.556 64.755 63.100 0.164 0.000 0.853 1078 P CB -0.298 31.509 31.700 0.178 0.000 0.788 1079 A N -0.362 122.580 122.820 0.203 0.000 1.883 1079 A HA -0.289 4.032 4.320 0.002 0.000 0.217 1079 A C 2.269 179.941 177.584 0.146 0.000 1.186 1079 A CA 1.760 53.906 52.037 0.182 0.000 0.624 1079 A CB -1.404 17.659 19.000 0.105 0.000 0.822 1079 A HN 0.198 nan 8.150 nan 0.000 0.444 1080 Q N -1.168 118.687 119.800 0.091 0.000 2.124 1080 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 1080 Q C 2.293 178.305 176.000 0.021 0.000 0.977 1080 Q CA 1.562 57.395 55.803 0.050 0.000 0.850 1080 Q CB -0.417 28.340 28.738 0.032 0.000 0.901 1080 Q HN 0.789 nan 8.270 nan 0.000 0.429 1081 C N -0.437 118.856 119.300 -0.012 0.000 2.446 1081 C HA -0.106 4.355 4.460 0.002 0.000 0.277 1081 C C 2.215 177.104 174.990 -0.168 0.000 1.275 1081 C CA 0.471 59.410 59.018 -0.132 0.000 1.727 1081 C CB -1.008 26.586 27.740 -0.243 0.000 2.010 1081 C HN 0.461 nan 8.230 nan 0.000 0.486 1082 F N 0.996 120.919 119.950 -0.045 0.000 2.365 1082 F HA -0.094 4.434 4.527 0.002 0.000 0.300 1082 F C 2.459 178.227 175.800 -0.054 0.000 1.090 1082 F CA 1.622 59.581 58.000 -0.068 0.000 1.408 1082 F CB -0.360 38.588 39.000 -0.088 0.000 1.060 1082 F HN 0.350 nan 8.300 nan 0.000 0.534 1083 E N 0.382 120.658 120.200 0.127 0.000 2.072 1083 E HA -0.189 4.162 4.350 0.002 0.000 0.190 1083 E C 2.185 178.801 176.600 0.027 0.000 0.982 1083 E CA 1.012 57.451 56.400 0.065 0.000 0.803 1083 E CB -0.034 29.694 29.700 0.048 0.000 0.755 1083 E HN 0.365 nan 8.360 nan 0.000 0.453 1084 M N 0.075 119.676 119.600 0.002 0.000 2.099 1084 M HA -0.152 4.329 4.480 0.002 0.000 0.262 1084 M C 2.143 178.430 176.300 -0.022 0.000 1.067 1084 M CA 0.844 56.133 55.300 -0.019 0.000 1.124 1084 M CB -0.164 32.410 32.600 -0.044 0.000 1.353 1084 M HN 0.186 nan 8.290 nan 0.000 0.410 1085 L N 0.521 121.721 121.223 -0.039 0.000 2.043 1085 L HA -0.173 4.168 4.340 0.002 0.000 0.212 1085 L C 2.767 179.637 176.870 0.001 0.000 1.075 1085 L CA 2.164 56.981 54.840 -0.038 0.000 0.752 1085 L CB -1.513 40.506 42.059 -0.068 0.000 0.891 1085 L HN 0.273 nan 8.230 nan 0.000 0.432 1086 A N -0.901 121.933 122.820 0.022 0.000 1.877 1086 A HA -0.157 4.164 4.320 0.002 0.000 0.216 1086 A C 2.321 179.908 177.584 0.005 0.000 1.186 1086 A CA 1.538 53.585 52.037 0.018 0.000 0.620 1086 A CB -0.703 18.311 19.000 0.023 0.000 0.822 1086 A HN 0.392 nan 8.150 nan 0.000 0.443 1087 L N -0.428 120.797 121.223 0.004 0.000 2.042 1087 L HA -0.205 4.136 4.340 0.002 0.000 0.210 1087 L C 2.501 179.375 176.870 0.007 0.000 1.076 1087 L CA 1.324 56.163 54.840 -0.002 0.000 0.749 1087 L CB -0.609 41.449 42.059 -0.001 0.000 0.893 1087 L HN 0.384 nan 8.230 nan 0.000 0.432 1088 I N -0.419 120.167 120.570 0.027 0.000 2.179 1088 I HA -0.300 3.871 4.170 0.002 0.000 0.242 1088 I C 2.839 179.010 176.117 0.090 0.000 1.088 1088 I CA 1.121 62.472 61.300 0.086 0.000 1.357 1088 I CB -0.303 37.722 38.000 0.041 0.000 1.051 1088 I HN 0.235 nan 8.210 nan 0.000 0.409 1089 R N 1.275 121.794 120.500 0.031 0.000 2.083 1089 R HA -0.262 4.079 4.340 0.002 0.000 0.237 1089 R C 2.311 178.606 176.300 -0.007 0.000 1.137 1089 R CA 1.915 58.024 56.100 0.015 0.000 0.951 1089 R CB -0.553 29.747 30.300 0.001 0.000 0.851 1089 R HN 0.244 nan 8.270 nan 0.000 0.434 1090 Q N 0.636 120.422 119.800 -0.024 0.000 2.077 1090 Q HA -0.173 4.168 4.340 0.002 0.000 0.206 1090 Q C 1.423 177.360 176.000 -0.105 0.000 0.989 1090 Q CA 2.299 58.072 55.803 -0.051 0.000 0.853 1090 Q CB -0.007 28.705 28.738 -0.044 0.000 0.907 1090 Q HN 0.390 nan 8.270 nan 0.000 0.418 1091 K N -1.008 119.288 120.400 -0.173 0.000 2.296 1091 K HA -0.024 4.297 4.320 0.002 0.000 0.200 1091 K C 0.032 176.245 176.600 -0.644 0.000 1.048 1091 K CA 0.647 56.689 56.287 -0.410 0.000 0.966 1091 K CB 0.250 32.424 32.500 -0.544 0.000 0.754 1091 K HN 0.365 nan 8.250 nan 0.000 0.466 1092 H N 0.013 119.060 119.070 -0.037 0.000 2.488 1092 H HA 0.178 4.735 4.556 0.002 0.000 0.237 1092 H C -2.242 173.056 175.328 -0.051 0.000 1.395 1092 H CA -1.817 54.204 56.048 -0.044 0.000 1.491 1092 H CB 1.367 31.098 29.762 -0.051 0.000 1.567 1092 H HN -0.065 nan 8.280 nan 0.000 0.508 1093 P HA -0.091 nan 4.420 nan 0.000 0.218 1093 P C 1.448 178.738 177.300 -0.018 0.000 1.149 1093 P CA 1.246 64.340 63.100 -0.010 0.000 0.817 1093 P CB 0.472 32.158 31.700 -0.023 0.000 0.785 1094 T N -1.062 113.482 114.554 -0.016 0.000 3.051 1094 T HA 0.130 4.481 4.350 0.002 0.000 0.255 1094 T C 0.845 175.493 174.700 -0.087 0.000 1.085 1094 T CA -0.215 61.858 62.100 -0.045 0.000 1.109 1094 T CB -0.403 68.446 68.868 -0.033 0.000 0.921 1094 T HN 0.009 nan 8.240 nan 0.000 0.488 1095 I N 3.424 123.949 120.570 -0.074 0.000 2.533 1095 I HA 0.191 4.362 4.170 0.002 0.000 0.284 1095 I C -2.439 173.552 176.117 -0.211 0.000 1.109 1095 I CA -2.607 58.611 61.300 -0.137 0.000 1.412 1095 I CB 1.097 39.028 38.000 -0.116 0.000 1.396 1095 I HN -0.062 nan 8.210 nan 0.000 0.543 1096 P HA 0.150 nan 4.420 nan 0.000 0.267 1096 P C -1.010 176.078 177.300 -0.353 0.000 1.205 1096 P CA 0.377 63.131 63.100 -0.577 0.000 0.765 1096 P CB 0.292 31.330 31.700 -1.103 0.000 0.828 1097 I N 2.932 123.367 120.570 -0.224 0.000 2.410 1097 I HA 0.481 4.652 4.170 0.002 0.000 0.286 1097 I C 0.646 176.803 176.117 0.067 0.000 1.009 1097 I CA -0.366 60.890 61.300 -0.073 0.000 1.111 1097 I CB 2.023 39.986 38.000 -0.062 0.000 1.262 1097 I HN 0.345 nan 8.210 nan 0.000 0.443 1098 G N 6.931 115.819 108.800 0.147 0.000 2.452 1098 G HA2 0.735 4.696 3.960 0.002 0.000 0.324 1098 G HA3 0.735 4.696 3.960 0.002 0.000 0.324 1098 G C -0.898 174.083 174.900 0.135 0.000 1.214 1098 G CA -0.525 44.728 45.100 0.255 0.000 0.947 1098 G HN 0.384 nan 8.290 nan 0.000 0.478 1099 L N 1.208 122.493 121.223 0.103 0.000 2.344 1099 L HA 0.595 4.936 4.340 0.002 0.000 0.272 1099 L C -0.350 176.548 176.870 0.048 0.000 1.035 1099 L CA -0.914 53.950 54.840 0.039 0.000 0.807 1099 L CB 2.044 44.105 42.059 0.004 0.000 1.237 1099 L HN 0.217 nan 8.230 nan 0.000 0.442 1100 L N 3.714 124.953 121.223 0.026 0.000 2.404 1100 L HA 0.583 4.924 4.340 0.002 0.000 0.272 1100 L C -0.902 175.897 176.870 -0.118 0.000 0.980 1100 L CA -0.276 54.554 54.840 -0.017 0.000 0.836 1100 L CB 1.579 43.707 42.059 0.116 0.000 1.238 1100 L HN 0.753 nan 8.230 nan 0.000 0.408 1101 M N 2.378 121.825 119.600 -0.255 0.000 3.419 1101 M HA 0.477 4.958 4.480 0.002 0.000 0.287 1101 M C -1.786 174.210 176.300 -0.508 0.000 1.333 1101 M CA -0.690 54.400 55.300 -0.350 0.000 0.843 1101 M CB 1.457 33.923 32.600 -0.223 0.000 1.686 1101 M HN 0.123 nan 8.290 nan 0.000 0.491 1102 Y N -0.112 120.114 120.300 -0.124 0.000 2.457 1102 Y HA 0.693 5.244 4.550 0.002 0.000 0.333 1102 Y C 1.359 177.124 175.900 -0.225 0.000 1.119 1102 Y CA -0.445 57.576 58.100 -0.132 0.000 1.143 1102 Y CB 1.890 40.327 38.460 -0.039 0.000 1.230 1102 Y HN 0.918 nan 8.280 nan 0.000 0.469 1103 A N 1.985 124.760 122.820 -0.076 0.000 1.958 1103 A HA -0.294 4.027 4.320 0.002 0.000 0.221 1103 A C 1.878 179.267 177.584 -0.326 0.000 1.178 1103 A CA 2.263 54.091 52.037 -0.348 0.000 0.642 1103 A CB -0.834 18.021 19.000 -0.242 0.000 0.816 1103 A HN 0.995 nan 8.150 nan 0.000 0.453 1104 N N -0.485 118.241 118.700 0.044 0.000 2.058 1104 N HA -0.268 4.473 4.740 0.002 0.000 0.200 1104 N C 1.652 177.210 175.510 0.081 0.000 1.033 1104 N CA 1.917 55.094 53.050 0.213 0.000 0.880 1104 N CB -0.479 38.205 38.487 0.329 0.000 1.069 1104 N HN 0.457 nan 8.380 nan 0.000 0.461 1105 L N 1.796 122.899 121.223 -0.200 0.000 2.127 1105 L HA -0.096 4.245 4.340 0.002 0.000 0.211 1105 L C 2.158 178.725 176.870 -0.504 0.000 1.089 1105 L CA 1.256 55.709 54.840 -0.645 0.000 0.757 1105 L CB -0.479 41.014 42.059 -0.943 0.000 0.899 1105 L HN -0.022 nan 8.230 nan 0.000 0.434 1106 V N -0.807 118.719 119.914 -0.647 0.000 2.358 1106 V HA -0.279 3.842 4.120 0.002 0.000 0.246 1106 V C 2.299 178.260 176.094 -0.223 0.000 1.047 1106 V CA 2.103 63.995 62.300 -0.680 0.000 1.035 1106 V CB -0.793 30.624 31.823 -0.677 0.000 0.658 1106 V HN 0.376 nan 8.190 nan 0.000 0.452 1107 F N 0.609 120.557 119.950 -0.002 0.000 2.146 1107 F HA -0.171 4.357 4.527 0.002 0.000 0.298 1107 F C 2.486 178.317 175.800 0.053 0.000 1.096 1107 F CA 1.655 59.685 58.000 0.051 0.000 1.275 1107 F CB -0.523 38.530 39.000 0.087 0.000 1.008 1107 F HN 0.218 nan 8.300 nan 0.000 0.480 1108 N N 1.402 120.252 118.700 0.251 0.000 2.091 1108 N HA -0.264 4.477 4.740 0.002 0.000 0.193 1108 N C 1.172 176.774 175.510 0.154 0.000 1.021 1108 N CA 1.876 55.054 53.050 0.215 0.000 0.862 1108 N CB -0.247 38.405 38.487 0.275 0.000 1.018 1108 N HN 0.345 nan 8.380 nan 0.000 0.429 1109 K N -1.301 119.167 120.400 0.114 0.000 2.514 1109 K HA 0.378 4.699 4.320 0.002 0.000 0.207 1109 K C 0.063 176.724 176.600 0.103 0.000 1.035 1109 K CA -0.047 56.301 56.287 0.102 0.000 1.113 1109 K CB 0.194 32.749 32.500 0.092 0.000 0.846 1109 K HN 0.152 nan 8.250 nan 0.000 0.491 1110 G N 1.461 110.336 108.800 0.126 0.000 2.862 1110 G HA2 -0.221 3.740 3.960 0.002 0.000 0.686 1110 G HA3 -0.221 3.740 3.960 0.002 0.000 0.686 1110 G C 0.290 175.275 174.900 0.141 0.000 1.134 1110 G CA -0.385 44.790 45.100 0.125 0.000 0.791 1110 G HN 0.180 nan 8.290 nan 0.000 0.592 1111 I N 0.633 121.285 120.570 0.136 0.000 2.090 1111 I HA -0.160 4.011 4.170 0.002 0.000 0.236 1111 I C 2.514 178.799 176.117 0.279 0.000 1.064 1111 I CA 1.798 63.192 61.300 0.157 0.000 1.324 1111 I CB -0.225 37.765 38.000 -0.016 0.000 1.044 1111 I HN 0.790 nan 8.210 nan 0.000 0.399 1112 D N 0.726 121.234 120.400 0.180 0.000 2.178 1112 D HA -0.256 4.385 4.640 0.002 0.000 0.201 1112 D C 2.000 178.351 176.300 0.086 0.000 0.980 1112 D CA 1.289 55.409 54.000 0.201 0.000 0.842 1112 D CB 0.076 40.981 40.800 0.176 0.000 0.948 1112 D HN 0.429 nan 8.370 nan 0.000 0.472 1113 E N -0.997 119.242 120.200 0.065 0.000 2.208 1113 E HA -0.146 4.205 4.350 0.002 0.000 0.193 1113 E C 1.963 178.505 176.600 -0.096 0.000 0.988 1113 E CA 0.312 56.697 56.400 -0.024 0.000 0.828 1113 E CB -0.192 29.512 29.700 0.006 0.000 0.763 1113 E HN 0.302 nan 8.360 nan 0.000 0.478 1114 F N -0.276 119.588 119.950 -0.143 0.000 2.187 1114 F HA -0.116 4.411 4.527 0.002 0.000 0.295 1114 F C 1.440 177.052 175.800 -0.314 0.000 1.091 1114 F CA 1.116 58.978 58.000 -0.229 0.000 1.308 1114 F CB -0.151 38.724 39.000 -0.209 0.000 1.030 1114 F HN 0.008 nan 8.300 nan 0.000 0.487 1115 Y N 0.172 120.351 120.300 -0.202 0.000 2.373 1115 Y HA 0.020 4.572 4.550 0.002 0.000 0.293 1115 Y C 2.476 177.984 175.900 -0.654 0.000 1.129 1115 Y CA 0.968 58.879 58.100 -0.315 0.000 1.226 1115 Y CB -0.847 37.591 38.460 -0.037 0.000 1.000 1115 Y HN 0.183 nan 8.280 nan 0.000 0.549 1116 A N -0.453 121.904 122.820 -0.772 0.000 1.929 1116 A HA -0.200 4.121 4.320 0.002 0.000 0.216 1116 A C 2.058 179.391 177.584 -0.419 0.000 1.176 1116 A CA 1.499 53.079 52.037 -0.762 0.000 0.628 1116 A CB -0.532 18.180 19.000 -0.480 0.000 0.816 1116 A HN 0.379 nan 8.150 nan 0.000 0.444 1117 Q N -0.449 119.043 119.800 -0.513 0.000 2.224 1117 Q HA -0.132 4.209 4.340 0.002 0.000 0.203 1117 Q C 1.819 177.499 176.000 -0.533 0.000 0.970 1117 Q CA 2.171 57.593 55.803 -0.636 0.000 0.865 1117 Q CB -0.843 27.274 28.738 -1.034 0.000 0.922 1117 Q HN 0.626 nan 8.270 nan 0.000 0.445 1118 C N 0.055 119.081 119.300 -0.458 0.000 2.475 1118 C HA -0.008 4.454 4.460 0.002 0.000 0.279 1118 C C 2.418 177.353 174.990 -0.092 0.000 1.322 1118 C CA 0.775 59.676 59.018 -0.196 0.000 1.734 1118 C CB -0.722 26.857 27.740 -0.267 0.000 2.005 1118 C HN 0.697 nan 8.230 nan 0.000 0.495 1119 E N 1.391 121.535 120.200 -0.094 0.000 2.110 1119 E HA -0.249 4.102 4.350 0.002 0.000 0.193 1119 E C 2.229 178.816 176.600 -0.021 0.000 0.988 1119 E CA 1.093 57.493 56.400 -0.001 0.000 0.804 1119 E CB -0.150 29.597 29.700 0.079 0.000 0.745 1119 E HN 0.621 nan 8.360 nan 0.000 0.458 1120 K N 0.209 120.565 120.400 -0.073 0.000 2.057 1120 K HA -0.104 4.217 4.320 0.002 0.000 0.206 1120 K C 1.981 178.555 176.600 -0.043 0.000 1.050 1120 K CA 1.273 57.520 56.287 -0.066 0.000 0.935 1120 K CB 0.073 32.502 32.500 -0.118 0.000 0.715 1120 K HN 0.050 nan 8.250 nan 0.000 0.439 1121 V N -0.012 119.881 119.914 -0.035 0.000 2.488 1121 V HA -0.012 4.109 4.120 0.002 0.000 0.246 1121 V C 1.435 177.537 176.094 0.013 0.000 1.046 1121 V CA 1.648 63.959 62.300 0.019 0.000 1.053 1121 V CB 0.073 31.970 31.823 0.123 0.000 0.679 1121 V HN 0.770 nan 8.190 nan 0.000 0.458 1122 G N 0.165 108.970 108.800 0.008 0.000 2.143 1122 G HA2 -0.165 3.796 3.960 0.002 0.000 0.175 1122 G HA3 -0.165 3.796 3.960 0.002 0.000 0.175 1122 G C 0.213 175.118 174.900 0.009 0.000 1.004 1122 G CA 0.044 45.148 45.100 0.007 0.000 0.671 1122 G HN 1.072 nan 8.290 nan 0.000 0.512 1123 V N -1.509 118.415 119.914 0.017 0.000 2.740 1123 V HA 0.521 4.642 4.120 0.002 0.000 0.303 1123 V C 0.975 177.106 176.094 0.062 0.000 1.054 1123 V CA 0.750 63.064 62.300 0.024 0.000 1.106 1123 V CB 1.312 33.145 31.823 0.017 0.000 0.957 1123 V HN 0.142 nan 8.190 nan 0.000 0.486 1124 D N 2.457 122.910 120.400 0.089 0.000 2.327 1124 D HA 0.117 4.758 4.640 0.002 0.000 0.205 1124 D C 0.800 177.278 176.300 0.296 0.000 0.989 1124 D CA 1.313 55.413 54.000 0.168 0.000 0.873 1124 D CB 0.734 41.584 40.800 0.084 0.000 0.955 1124 D HN 0.900 nan 8.370 nan 0.000 0.515 1125 S N -0.599 115.271 115.700 0.284 0.000 2.567 1125 S HA 0.555 5.026 4.470 0.002 0.000 0.270 1125 S C -1.108 173.593 174.600 0.169 0.000 1.152 1125 S CA -0.855 57.484 58.200 0.232 0.000 0.835 1125 S CB 2.416 65.766 63.200 0.251 0.000 1.115 1125 S HN -0.159 nan 8.310 nan 0.000 0.459 1126 V N 1.623 121.608 119.914 0.118 0.000 2.760 1126 V HA 0.698 4.819 4.120 0.002 0.000 0.309 1126 V C -1.468 174.612 176.094 -0.023 0.000 1.077 1126 V CA -0.631 61.728 62.300 0.097 0.000 0.910 1126 V CB 1.619 33.563 31.823 0.202 0.000 1.008 1126 V HN 0.951 nan 8.190 nan 0.000 0.424 1127 L N 6.067 127.251 121.223 -0.066 0.000 2.342 1127 L HA 0.652 4.993 4.340 0.002 0.000 0.276 1127 L C -0.517 176.227 176.870 -0.211 0.000 0.997 1127 L CA -0.166 54.570 54.840 -0.173 0.000 0.838 1127 L CB 1.679 43.657 42.059 -0.135 0.000 1.224 1127 L HN 0.465 nan 8.230 nan 0.000 0.416 1128 V N 6.554 126.311 119.914 -0.262 0.000 2.339 1128 V HA 0.361 4.483 4.120 0.002 0.000 0.261 1128 V C 1.574 177.516 176.094 -0.254 0.000 1.058 1128 V CA 0.245 62.359 62.300 -0.310 0.000 0.897 1128 V CB 0.003 31.537 31.823 -0.482 0.000 1.052 1128 V HN 0.981 nan 8.190 nan 0.000 0.480 1129 A N 4.586 127.243 122.820 -0.273 0.000 1.892 1129 A HA -0.186 4.135 4.320 0.002 0.000 0.218 1129 A C 1.487 179.073 177.584 0.003 0.000 1.188 1129 A CA 2.007 53.932 52.037 -0.187 0.000 0.631 1129 A CB -0.347 18.438 19.000 -0.358 0.000 0.822 1129 A HN 0.916 nan 8.150 nan 0.000 0.447 1130 D N -0.625 119.856 120.400 0.135 0.000 3.060 1130 D HA 0.330 4.971 4.640 0.002 0.000 0.245 1130 D C -0.577 175.743 176.300 0.034 0.000 1.274 1130 D CA -0.189 53.893 54.000 0.136 0.000 0.864 1130 D CB -0.162 40.763 40.800 0.207 0.000 1.073 1130 D HN 0.035 nan 8.370 nan 0.000 0.473 1131 V N 0.856 120.756 119.914 -0.022 0.000 2.532 1131 V HA 0.287 4.408 4.120 0.002 0.000 0.294 1131 V C -2.311 173.808 176.094 0.041 0.000 1.036 1131 V CA -1.539 60.741 62.300 -0.033 0.000 0.876 1131 V CB 2.081 33.751 31.823 -0.255 0.000 1.012 1131 V HN 0.039 nan 8.190 nan 0.000 0.432 1132 P HA 0.110 nan 4.420 nan 0.000 0.267 1132 P C 1.085 178.448 177.300 0.104 0.000 1.200 1132 P CA -0.051 63.095 63.100 0.078 0.000 0.772 1132 P CB 0.866 32.604 31.700 0.064 0.000 0.855 1133 V N 1.739 121.694 119.914 0.068 0.000 2.594 1133 V HA -0.232 3.889 4.120 0.002 0.000 0.253 1133 V C 1.792 177.916 176.094 0.049 0.000 1.069 1133 V CA 1.827 64.118 62.300 -0.016 0.000 1.082 1133 V CB -1.127 30.592 31.823 -0.174 0.000 0.680 1133 V HN 0.540 nan 8.190 nan 0.000 0.469 1134 E N 0.825 121.058 120.200 0.056 0.000 2.077 1134 E HA -0.173 4.178 4.350 0.002 0.000 0.193 1134 E C 1.271 177.925 176.600 0.090 0.000 0.989 1134 E CA 1.065 57.507 56.400 0.070 0.000 0.800 1134 E CB -0.225 29.503 29.700 0.047 0.000 0.746 1134 E HN 0.651 nan 8.360 nan 0.000 0.452 1135 E N -0.525 119.741 120.200 0.111 0.000 2.947 1135 E HA 0.171 4.522 4.350 0.002 0.000 0.229 1135 E C -0.194 176.545 176.600 0.233 0.000 1.158 1135 E CA -0.058 56.429 56.400 0.146 0.000 1.441 1135 E CB 0.628 30.416 29.700 0.147 0.000 1.414 1135 E HN 0.155 nan 8.360 nan 0.000 0.432 1136 S N -1.365 114.466 115.700 0.219 0.000 2.603 1136 S HA 0.325 4.796 4.470 0.002 0.000 0.232 1136 S C 1.854 176.615 174.600 0.269 0.000 1.016 1136 S CA 0.105 58.518 58.200 0.355 0.000 0.976 1136 S CB 0.577 64.017 63.200 0.399 0.000 0.921 1136 S HN 0.259 nan 8.310 nan 0.000 0.516 1137 A N 4.117 127.000 122.820 0.104 0.000 1.869 1137 A HA -0.015 4.306 4.320 0.002 0.000 0.218 1137 A C 0.401 177.983 177.584 -0.002 0.000 1.203 1137 A CA 1.951 53.984 52.037 -0.007 0.000 0.638 1137 A CB -1.934 17.049 19.000 -0.028 0.000 0.831 1137 A HN 0.599 nan 8.150 nan 0.000 0.450 1138 P HA -0.150 nan 4.420 nan 0.000 0.219 1138 P C 1.078 178.217 177.300 -0.268 0.000 1.146 1138 P CA 1.139 64.153 63.100 -0.144 0.000 0.808 1138 P CB -0.238 31.351 31.700 -0.184 0.000 0.779 1139 F N 0.284 120.230 119.950 -0.007 0.000 2.219 1139 F HA 0.089 4.617 4.527 0.002 0.000 0.294 1139 F C 2.836 178.481 175.800 -0.257 0.000 1.086 1139 F CA 0.900 58.841 58.000 -0.099 0.000 1.330 1139 F CB -0.722 38.309 39.000 0.051 0.000 1.047 1139 F HN -0.258 nan 8.300 nan 0.000 0.495 1140 R N 0.225 120.763 120.500 0.063 0.000 2.066 1140 R HA -0.160 4.181 4.340 0.002 0.000 0.232 1140 R C 2.149 178.385 176.300 -0.107 0.000 1.131 1140 R CA 1.569 57.667 56.100 -0.004 0.000 0.955 1140 R CB -0.557 29.748 30.300 0.009 0.000 0.851 1140 R HN 0.397 nan 8.270 nan 0.000 0.432 1141 Q N 0.099 119.831 119.800 -0.115 0.000 2.061 1141 Q HA -0.138 4.203 4.340 0.002 0.000 0.204 1141 Q C 2.228 178.147 176.000 -0.136 0.000 0.984 1141 Q CA 1.694 57.430 55.803 -0.112 0.000 0.846 1141 Q CB -0.206 28.475 28.738 -0.094 0.000 0.902 1141 Q HN 0.357 nan 8.270 nan 0.000 0.421 1142 A N 0.994 123.691 122.820 -0.205 0.000 1.933 1142 A HA -0.098 4.223 4.320 0.002 0.000 0.218 1142 A C 2.248 179.709 177.584 -0.205 0.000 1.175 1142 A CA 1.568 53.504 52.037 -0.168 0.000 0.628 1142 A CB -0.652 18.218 19.000 -0.217 0.000 0.814 1142 A HN 0.400 nan 8.150 nan 0.000 0.444 1143 A N -0.149 122.360 122.820 -0.518 0.000 1.854 1143 A HA 0.044 4.365 4.320 0.002 0.000 0.214 1143 A C 2.123 179.701 177.584 -0.011 0.000 1.192 1143 A CA 1.304 53.187 52.037 -0.257 0.000 0.611 1143 A CB -0.639 18.219 19.000 -0.237 0.000 0.832 1143 A HN 0.436 nan 8.150 nan 0.000 0.442 1144 L N -0.827 120.366 121.223 -0.049 0.000 2.079 1144 L HA -0.198 4.143 4.340 0.002 0.000 0.210 1144 L C 2.774 179.622 176.870 -0.036 0.000 1.081 1144 L CA 1.774 56.604 54.840 -0.017 0.000 0.752 1144 L CB -0.482 41.560 42.059 -0.027 0.000 0.896 1144 L HN 0.489 nan 8.230 nan 0.000 0.433 1145 R N -0.245 120.204 120.500 -0.086 0.000 2.152 1145 R HA -0.161 4.180 4.340 0.002 0.000 0.232 1145 R C 0.985 177.089 176.300 -0.327 0.000 1.117 1145 R CA 1.373 57.345 56.100 -0.213 0.000 0.981 1145 R CB -0.041 30.087 30.300 -0.286 0.000 0.870 1145 R HN 0.454 nan 8.270 nan 0.000 0.451 1146 H N 0.015 119.095 119.070 0.017 0.000 2.469 1146 H HA 0.304 4.861 4.556 0.002 0.000 0.286 1146 H C -0.360 174.996 175.328 0.046 0.000 1.106 1146 H CA -0.187 55.883 56.048 0.038 0.000 1.055 1146 H CB 0.453 30.257 29.762 0.069 0.000 1.618 1146 H HN 0.239 nan 8.280 nan 0.000 0.559 1147 N N -0.163 118.597 118.700 0.101 0.000 2.741 1147 N HA -0.162 4.579 4.740 0.002 0.000 0.251 1147 N C -0.639 174.944 175.510 0.122 0.000 1.112 1147 N CA 0.661 53.765 53.050 0.091 0.000 0.750 1147 N CB -1.340 37.192 38.487 0.075 0.000 1.119 1147 N HN 0.154 nan 8.380 nan 0.000 0.561 1148 V N 0.539 120.546 119.914 0.156 0.000 2.539 1148 V HA 0.642 4.763 4.120 0.002 0.000 0.292 1148 V C 0.787 176.966 176.094 0.141 0.000 1.045 1148 V CA -0.710 61.698 62.300 0.180 0.000 0.945 1148 V CB 1.839 33.833 31.823 0.285 0.000 0.993 1148 V HN 0.305 nan 8.190 nan 0.000 0.464 1149 A N 7.021 129.922 122.820 0.136 0.000 2.276 1149 A HA 0.679 5.000 4.320 0.002 0.000 0.300 1149 A C -2.333 175.251 177.584 -0.001 0.000 1.235 1149 A CA -1.571 50.507 52.037 0.067 0.000 0.867 1149 A CB 0.286 19.320 19.000 0.057 0.000 1.137 1149 A HN 0.618 nan 8.150 nan 0.000 0.527 1150 P HA 0.321 nan 4.420 nan 0.000 0.281 1150 P C -0.788 176.238 177.300 -0.457 0.000 1.252 1150 P CA 0.013 62.987 63.100 -0.211 0.000 0.778 1150 P CB 1.143 32.773 31.700 -0.118 0.000 0.895 1151 I N 3.974 124.158 120.570 -0.644 0.000 2.441 1151 I HA 0.436 4.607 4.170 0.002 0.000 0.295 1151 I C 0.173 175.793 176.117 -0.828 0.000 0.994 1151 I CA -0.770 60.145 61.300 -0.642 0.000 1.144 1151 I CB 0.755 38.447 38.000 -0.514 0.000 1.314 1151 I HN 0.229 nan 8.210 nan 0.000 0.445 1152 F N 4.740 124.648 119.950 -0.069 0.000 2.561 1152 F HA 0.575 5.103 4.527 0.002 0.000 0.321 1152 F C 0.352 176.165 175.800 0.022 0.000 1.065 1152 F CA -0.770 57.220 58.000 -0.016 0.000 0.934 1152 F CB 1.509 40.523 39.000 0.023 0.000 1.215 1152 F HN 0.159 nan 8.300 nan 0.000 0.471 1153 I N 1.708 122.402 120.570 0.207 0.000 2.440 1153 I HA 0.272 4.443 4.170 0.002 0.000 0.294 1153 I C -0.565 175.657 176.117 0.175 0.000 0.995 1153 I CA -0.462 60.944 61.300 0.177 0.000 1.306 1153 I CB 1.225 39.256 38.000 0.053 0.000 1.407 1153 I HN 0.504 nan 8.210 nan 0.000 0.501 1154 C N 8.977 128.391 119.300 0.190 0.000 2.335 1154 C HA 0.518 4.979 4.460 0.002 0.000 0.318 1154 C C -2.244 172.811 174.990 0.108 0.000 1.150 1154 C CA -1.962 57.132 59.018 0.126 0.000 1.466 1154 C CB 0.354 28.163 27.740 0.115 0.000 2.024 1154 C HN 0.525 nan 8.230 nan 0.000 0.429 1155 P HA 0.256 nan 4.420 nan 0.000 0.274 1155 P C -2.201 175.121 177.300 0.037 0.000 1.231 1155 P CA -1.015 62.111 63.100 0.044 0.000 0.790 1155 P CB 0.857 32.567 31.700 0.018 0.000 0.951 1156 P HA -0.103 nan 4.420 nan 0.000 0.234 1156 P C 0.533 177.836 177.300 0.006 0.000 1.167 1156 P CA 1.128 64.241 63.100 0.022 0.000 0.763 1156 P CB -0.096 31.616 31.700 0.019 0.000 0.835 1157 N N -0.653 118.048 118.700 0.002 0.000 2.275 1157 N HA 0.156 4.897 4.740 0.002 0.000 0.236 1157 N C 0.039 175.549 175.510 -0.001 0.000 1.154 1157 N CA -0.509 52.536 53.050 -0.008 0.000 0.866 1157 N CB -0.026 38.453 38.487 -0.013 0.000 1.093 1157 N HN -0.129 nan 8.380 nan 0.000 0.515 1158 A N 1.223 124.051 122.820 0.013 0.000 2.425 1158 A HA 0.252 4.573 4.320 0.002 0.000 0.249 1158 A C 0.387 177.984 177.584 0.022 0.000 1.084 1158 A CA -0.442 51.606 52.037 0.018 0.000 0.781 1158 A CB 0.234 19.253 19.000 0.031 0.000 1.019 1158 A HN 0.540 nan 8.150 nan 0.000 0.490 1159 D N 1.263 121.672 120.400 0.016 0.000 2.387 1159 D HA 0.049 4.690 4.640 0.002 0.000 0.251 1159 D C 0.278 176.602 176.300 0.041 0.000 1.141 1159 D CA -0.259 53.754 54.000 0.022 0.000 0.987 1159 D CB 0.637 41.441 40.800 0.007 0.000 1.116 1159 D HN 0.517 nan 8.370 nan 0.000 0.491 1160 D N -0.219 120.216 120.400 0.059 0.000 2.158 1160 D HA -0.193 4.448 4.640 0.002 0.000 0.197 1160 D C 1.061 177.382 176.300 0.035 0.000 0.995 1160 D CA 1.532 55.590 54.000 0.097 0.000 0.846 1160 D CB 0.110 40.972 40.800 0.103 0.000 0.941 1160 D HN 0.388 nan 8.370 nan 0.000 0.456 1161 D N -0.721 119.672 120.400 -0.012 0.000 2.087 1161 D HA -0.153 4.488 4.640 0.002 0.000 0.192 1161 D C 1.840 178.086 176.300 -0.091 0.000 0.993 1161 D CA 0.687 54.649 54.000 -0.063 0.000 0.828 1161 D CB -0.250 40.519 40.800 -0.052 0.000 0.968 1161 D HN 0.128 nan 8.370 nan 0.000 0.448 1162 L N 0.467 121.654 121.223 -0.061 0.000 2.079 1162 L HA -0.129 4.212 4.340 0.002 0.000 0.210 1162 L C 1.866 178.690 176.870 -0.077 0.000 1.081 1162 L CA 1.469 56.261 54.840 -0.079 0.000 0.752 1162 L CB -0.458 41.578 42.059 -0.038 0.000 0.896 1162 L HN 0.143 nan 8.230 nan 0.000 0.433 1163 L N -1.072 120.151 121.223 -0.001 0.000 2.083 1163 L HA -0.211 4.130 4.340 0.002 0.000 0.209 1163 L C 2.713 179.599 176.870 0.027 0.000 1.083 1163 L CA 1.313 56.198 54.840 0.074 0.000 0.752 1163 L CB -0.461 41.724 42.059 0.211 0.000 0.899 1163 L HN 0.237 nan 8.230 nan 0.000 0.433 1164 R N -0.646 119.773 120.500 -0.134 0.000 2.148 1164 R HA -0.130 4.211 4.340 0.002 0.000 0.227 1164 R C 2.308 178.394 176.300 -0.356 0.000 1.103 1164 R CA 0.972 56.855 56.100 -0.362 0.000 0.983 1164 R CB -0.113 29.898 30.300 -0.482 0.000 0.874 1164 R HN 0.497 nan 8.270 nan 0.000 0.451 1165 Q N 0.546 120.103 119.800 -0.405 0.000 1.994 1165 Q HA -0.100 4.241 4.340 0.002 0.000 0.198 1165 Q C 2.338 177.864 176.000 -0.790 0.000 0.976 1165 Q CA 1.557 56.901 55.803 -0.766 0.000 0.828 1165 Q CB -0.177 28.150 28.738 -0.684 0.000 0.894 1165 Q HN 0.433 nan 8.270 nan 0.000 0.432 1166 I N -1.593 118.721 120.570 -0.425 0.000 2.335 1166 I HA -0.184 3.987 4.170 0.002 0.000 0.251 1166 I C 2.226 178.305 176.117 -0.064 0.000 1.129 1166 I CA 1.474 62.643 61.300 -0.219 0.000 1.402 1166 I CB -0.505 37.471 38.000 -0.040 0.000 1.069 1166 I HN -0.005 nan 8.210 nan 0.000 0.424 1167 A N 1.772 124.550 122.820 -0.070 0.000 1.929 1167 A HA -0.132 4.190 4.320 0.002 0.000 0.216 1167 A C 2.537 180.126 177.584 0.008 0.000 1.176 1167 A CA 1.852 53.900 52.037 0.019 0.000 0.628 1167 A CB -0.774 18.279 19.000 0.089 0.000 0.816 1167 A HN 0.667 nan 8.150 nan 0.000 0.444 1168 S N -1.707 113.940 115.700 -0.089 0.000 2.446 1168 S HA 0.005 4.476 4.470 0.002 0.000 0.225 1168 S C 1.832 176.564 174.600 0.219 0.000 1.016 1168 S CA 0.645 58.851 58.200 0.010 0.000 0.943 1168 S CB -0.675 62.489 63.200 -0.061 0.000 0.786 1168 S HN 0.677 nan 8.310 nan 0.000 0.508 1169 Y N 2.150 122.440 120.300 -0.018 0.000 2.205 1169 Y HA 0.257 4.808 4.550 0.001 0.000 0.292 1169 Y C 2.134 178.168 175.900 0.224 0.000 1.119 1169 Y CA -0.382 57.742 58.100 0.040 0.000 1.117 1169 Y CB -0.897 37.448 38.460 -0.192 0.000 1.037 1169 Y HN 0.402 nan 8.280 nan 0.000 0.510 1170 G N 1.321 110.416 108.800 0.491 0.000 2.614 1170 G HA2 0.318 4.279 3.960 0.002 0.000 0.239 1170 G HA3 0.318 4.279 3.960 0.002 0.000 0.239 1170 G C -0.290 174.703 174.900 0.154 0.000 1.240 1170 G CA -0.333 44.986 45.100 0.365 0.000 0.842 1170 G HN 0.120 nan 8.290 nan 0.000 0.584 1171 R N -0.365 120.161 120.500 0.045 0.000 2.855 1171 R HA 0.638 4.979 4.340 0.002 0.000 0.266 1171 R C 0.899 177.156 176.300 -0.071 0.000 1.034 1171 R CA -0.073 56.044 56.100 0.028 0.000 0.944 1171 R CB 1.028 31.361 30.300 0.056 0.000 1.219 1171 R HN 1.252 nan 8.270 nan 0.000 0.474 1172 G N 0.598 109.400 108.800 0.004 0.000 5.431 1172 G HA2 -0.365 3.596 3.960 0.002 0.000 0.322 1172 G HA3 -0.365 3.596 3.960 0.002 0.000 0.322 1172 G C -0.500 174.431 174.900 0.051 0.000 1.370 1172 G CA 1.159 46.206 45.100 -0.089 0.000 0.963 1172 G HN 0.776 nan 8.290 nan 0.000 0.797 1173 Y N -0.914 119.287 120.300 -0.165 0.000 2.656 1173 Y HA 0.704 5.255 4.550 0.002 0.000 0.334 1173 Y C -0.315 175.582 175.900 -0.006 0.000 1.179 1173 Y CA -0.185 57.908 58.100 -0.012 0.000 1.050 1173 Y CB 0.984 39.482 38.460 0.063 0.000 1.308 1173 Y HN 0.928 nan 8.280 nan 0.000 0.456 1174 T N 0.164 114.767 114.554 0.083 0.000 2.855 1174 T HA 0.426 4.777 4.350 0.002 0.000 0.281 1174 T C -1.651 173.204 174.700 0.258 0.000 1.007 1174 T CA -0.473 61.655 62.100 0.047 0.000 1.009 1174 T CB 0.950 69.868 68.868 0.084 0.000 0.983 1174 T HN 0.720 nan 8.240 nan 0.000 0.455 1175 Y N 3.835 124.214 120.300 0.130 0.000 2.404 1175 Y HA 0.532 5.083 4.550 0.002 0.000 0.344 1175 Y C -0.591 175.388 175.900 0.132 0.000 0.995 1175 Y CA -1.174 57.053 58.100 0.212 0.000 1.201 1175 Y CB 0.655 39.219 38.460 0.174 0.000 1.151 1175 Y HN 0.663 nan 8.280 nan 0.000 0.517 1176 L N 8.005 129.203 121.223 -0.042 0.000 2.264 1176 L HA 0.355 4.696 4.340 0.002 0.000 0.287 1176 L C -1.119 175.762 176.870 0.019 0.000 1.039 1176 L CA -0.562 54.292 54.840 0.024 0.000 0.829 1176 L CB 0.454 42.503 42.059 -0.017 0.000 1.211 1176 L HN 0.672 nan 8.230 nan 0.000 0.427 1177 L N 3.702 125.034 121.223 0.182 0.000 2.426 1177 L HA 0.295 4.636 4.340 0.002 0.000 0.271 1177 L C 1.059 177.998 176.870 0.115 0.000 1.169 1177 L CA 0.846 55.809 54.840 0.206 0.000 0.836 1177 L CB 1.149 43.300 42.059 0.154 0.000 1.112 1177 L HN 0.786 nan 8.230 nan 0.000 0.465 1178 S N 3.344 119.142 115.700 0.162 0.000 2.327 1178 S HA 0.240 4.711 4.470 0.002 0.000 0.157 1178 S C 0.078 174.741 174.600 0.106 0.000 1.227 1178 S CA 0.218 58.507 58.200 0.148 0.000 1.907 1178 S CB 0.029 63.366 63.200 0.228 0.000 0.563 1178 S HN 0.681 nan 8.310 nan 0.000 0.377 1179 R N 1.494 122.091 120.500 0.163 0.000 2.423 1179 R HA 0.758 5.100 4.340 0.002 0.000 0.293 1179 R C -0.745 175.556 176.300 0.003 0.000 1.196 1179 R CA -0.318 55.837 56.100 0.093 0.000 1.262 1179 R CB -0.130 30.247 30.300 0.127 0.000 1.116 1179 R HN 0.325 nan 8.270 nan 0.000 0.566 1190 A N -0.267 122.532 122.820 -0.035 0.000 1.794 1190 A HA 0.527 4.848 4.320 0.002 0.000 0.248 1190 A C -0.858 176.700 177.584 -0.042 0.000 1.467 1190 A CA -0.477 51.543 52.037 -0.028 0.000 1.390 1190 A CB -1.303 17.688 19.000 -0.015 0.000 1.000 1190 A HN 1.482 nan 8.150 nan 0.000 0.703 1191 L N 0.819 121.999 121.223 -0.070 0.000 2.476 1191 L HA 0.439 4.780 4.340 0.002 0.000 0.264 1191 L C -1.957 174.891 176.870 -0.037 0.000 1.224 1191 L CA -1.177 53.595 54.840 -0.112 0.000 0.821 1191 L CB -0.352 41.551 42.059 -0.260 0.000 1.101 1191 L HN 0.340 nan 8.230 nan 0.000 0.488 1192 P HA 0.074 nan 4.420 nan 0.000 0.271 1192 P C 0.547 177.880 177.300 0.055 0.000 1.216 1192 P CA -0.501 62.614 63.100 0.025 0.000 0.776 1192 P CB 0.547 32.267 31.700 0.032 0.000 0.881 1193 L N 2.334 123.582 121.223 0.041 0.000 2.137 1193 L HA -0.228 4.113 4.340 0.002 0.000 0.213 1193 L C 1.417 178.311 176.870 0.040 0.000 1.085 1193 L CA 2.032 56.896 54.840 0.039 0.000 0.760 1193 L CB -1.717 40.358 42.059 0.026 0.000 0.893 1193 L HN 0.452 nan 8.230 nan 0.000 0.434 1194 N N -1.150 117.575 118.700 0.041 0.000 2.149 1194 N HA -0.220 4.521 4.740 0.002 0.000 0.188 1194 N C 1.935 177.466 175.510 0.034 0.000 1.019 1194 N CA 1.169 54.235 53.050 0.027 0.000 0.857 1194 N CB -0.428 38.075 38.487 0.027 0.000 0.997 1194 N HN 0.432 nan 8.380 nan 0.000 0.426 1195 H N 0.657 119.711 119.070 -0.027 0.000 2.395 1195 H HA 0.105 4.662 4.556 0.002 0.000 0.299 1195 H C 1.889 177.189 175.328 -0.047 0.000 1.070 1195 H CA 0.934 56.961 56.048 -0.036 0.000 1.356 1195 H CB -0.136 29.610 29.762 -0.027 0.000 1.401 1195 H HN 0.168 nan 8.280 nan 0.000 0.524 1196 L N 0.761 122.071 121.223 0.145 0.000 2.017 1196 L HA -0.163 4.179 4.340 0.002 0.000 0.208 1196 L C 3.066 179.918 176.870 -0.031 0.000 1.073 1196 L CA 1.390 56.276 54.840 0.076 0.000 0.745 1196 L CB -0.536 41.568 42.059 0.074 0.000 0.894 1196 L HN 0.185 nan 8.230 nan 0.000 0.432 1197 V N -2.149 117.744 119.914 -0.034 0.000 2.453 1197 V HA -0.272 3.849 4.120 0.002 0.000 0.252 1197 V C 2.495 178.523 176.094 -0.110 0.000 1.068 1197 V CA 1.746 64.009 62.300 -0.062 0.000 1.070 1197 V CB -1.236 30.555 31.823 -0.052 0.000 0.664 1197 V HN 0.337 nan 8.190 nan 0.000 0.461 1198 A N 0.390 123.119 122.820 -0.151 0.000 1.898 1198 A HA -0.094 4.227 4.320 0.002 0.000 0.216 1198 A C 2.259 179.679 177.584 -0.274 0.000 1.181 1198 A CA 1.782 53.697 52.037 -0.203 0.000 0.620 1198 A CB -0.551 18.302 19.000 -0.245 0.000 0.819 1198 A HN 0.497 nan 8.150 nan 0.000 0.442 1199 K N -0.008 120.194 120.400 -0.329 0.000 2.097 1199 K HA -0.007 4.314 4.320 0.002 0.000 0.206 1199 K C 1.876 178.195 176.600 -0.469 0.000 1.049 1199 K CA 1.001 57.005 56.287 -0.472 0.000 0.933 1199 K CB -0.705 31.591 32.500 -0.340 0.000 0.717 1199 K HN 0.554 nan 8.250 nan 0.000 0.442 1200 L N 0.805 121.901 121.223 -0.212 0.000 2.046 1200 L HA -0.149 4.192 4.340 0.002 0.000 0.208 1200 L C 2.663 179.478 176.870 -0.092 0.000 1.077 1200 L CA 1.284 56.068 54.840 -0.092 0.000 0.747 1200 L CB -0.377 41.661 42.059 -0.036 0.000 0.896 1200 L HN 0.167 nan 8.230 nan 0.000 0.432 1201 K N 0.387 120.713 120.400 -0.124 0.000 2.097 1201 K HA -0.243 4.078 4.320 0.002 0.000 0.205 1201 K C 2.082 178.624 176.600 -0.096 0.000 1.050 1201 K CA 1.498 57.729 56.287 -0.093 0.000 0.938 1201 K CB 0.023 32.465 32.500 -0.096 0.000 0.718 1201 K HN 0.285 nan 8.250 nan 0.000 0.442 1202 E N -0.299 119.787 120.200 -0.192 0.000 2.110 1202 E HA -0.200 4.151 4.350 0.002 0.000 0.193 1202 E C 0.962 177.548 176.600 -0.023 0.000 0.988 1202 E CA 1.143 57.434 56.400 -0.182 0.000 0.804 1202 E CB -0.099 29.388 29.700 -0.355 0.000 0.745 1202 E HN 0.554 nan 8.360 nan 0.000 0.458 1203 Y N 0.120 120.400 120.300 -0.033 0.000 2.471 1203 Y HA 0.123 4.674 4.550 0.001 0.000 0.286 1203 Y C 0.113 176.001 175.900 -0.020 0.000 1.188 1203 Y CA -0.511 57.572 58.100 -0.029 0.000 1.286 1203 Y CB 0.183 38.621 38.460 -0.038 0.000 1.072 1203 Y HN 0.031 nan 8.280 nan 0.000 0.517 1204 N N 0.484 119.250 118.700 0.109 0.000 2.714 1204 N HA -0.184 4.557 4.740 0.002 0.000 0.253 1204 N C -0.481 175.070 175.510 0.069 0.000 1.024 1204 N CA 0.546 53.636 53.050 0.066 0.000 0.726 1204 N CB -0.916 37.609 38.487 0.063 0.000 0.908 1204 N HN 0.424 nan 8.380 nan 0.000 0.542 1205 A N -0.315 122.544 122.820 0.064 0.000 2.257 1205 A HA 0.829 5.150 4.320 0.002 0.000 0.289 1205 A C 0.844 178.451 177.584 0.037 0.000 1.095 1205 A CA 0.027 52.100 52.037 0.061 0.000 0.836 1205 A CB 0.571 19.611 19.000 0.067 0.000 1.111 1205 A HN 0.593 nan 8.150 nan 0.000 0.497 1206 A N 0.917 123.765 122.820 0.046 0.000 2.425 1206 A HA 0.531 4.852 4.320 0.002 0.000 0.242 1206 A C -2.322 175.255 177.584 -0.010 0.000 1.077 1206 A CA -1.022 51.040 52.037 0.041 0.000 0.781 1206 A CB -0.857 18.179 19.000 0.059 0.000 1.020 1206 A HN 0.589 nan 8.150 nan 0.000 0.494 1207 P HA 0.083 nan 4.420 nan 0.000 0.263 1207 P C -2.435 174.791 177.300 -0.123 0.000 1.175 1207 P CA -0.147 62.771 63.100 -0.303 0.000 0.761 1207 P CB 0.153 31.254 31.700 -0.998 0.000 0.794 1208 P HA 0.307 nan 4.420 nan 0.000 0.292 1208 P C -1.163 176.127 177.300 -0.016 0.000 1.283 1208 P CA -0.165 62.935 63.100 -0.000 0.000 0.835 1208 P CB 1.218 32.909 31.700 -0.016 0.000 1.017 1209 L N 2.385 123.618 121.223 0.017 0.000 2.381 1209 L HA 0.389 4.730 4.340 0.002 0.000 0.274 1209 L C 0.696 177.445 176.870 -0.202 0.000 0.988 1209 L CA -0.682 54.110 54.840 -0.080 0.000 0.824 1209 L CB 2.098 44.068 42.059 -0.149 0.000 1.263 1209 L HN 0.288 nan 8.230 nan 0.000 0.410 1210 Q N 1.134 120.838 119.800 -0.161 0.000 2.327 1210 Q HA 0.321 4.662 4.340 0.002 0.000 0.254 1210 Q C 0.533 176.378 176.000 -0.259 0.000 0.952 1210 Q CA 0.202 55.898 55.803 -0.179 0.000 0.884 1210 Q CB 1.727 30.430 28.738 -0.058 0.000 1.224 1210 Q HN 0.904 nan 8.270 nan 0.000 0.422 1211 G N 2.044 110.657 108.800 -0.311 0.000 4.000 1211 G HA2 0.087 4.048 3.960 0.002 0.000 0.260 1211 G HA3 0.087 4.048 3.960 0.002 0.000 0.260 1211 G C -0.790 174.226 174.900 0.193 0.000 1.047 1211 G CA -0.106 44.900 45.100 -0.158 0.000 0.860 1211 G HN 0.503 nan 8.290 nan 0.000 0.464 1212 F N 1.547 121.531 119.950 0.055 0.000 2.427 1212 F HA 0.530 5.058 4.527 0.002 0.000 0.348 1212 F C 0.898 176.729 175.800 0.051 0.000 1.125 1212 F CA 0.202 58.251 58.000 0.081 0.000 0.989 1212 F CB 1.753 40.815 39.000 0.104 0.000 1.165 1212 F HN 0.242 nan 8.300 nan 0.000 0.442 1213 G N 5.526 114.025 108.800 -0.502 0.000 2.137 1213 G HA2 -0.266 3.695 3.960 0.002 0.000 0.237 1213 G HA3 -0.266 3.695 3.960 0.002 0.000 0.237 1213 G C -0.232 174.609 174.900 -0.099 0.000 1.002 1213 G CA 0.047 44.935 45.100 -0.354 0.000 0.702 1213 G HN 0.661 nan 8.290 nan 0.000 0.515 1214 I N 2.140 122.689 120.570 -0.036 0.000 2.287 1214 I HA 0.381 4.553 4.170 0.002 0.000 0.290 1214 I C 1.188 177.361 176.117 0.094 0.000 1.069 1214 I CA 0.331 61.655 61.300 0.040 0.000 1.237 1214 I CB 1.311 39.352 38.000 0.067 0.000 1.418 1214 I HN 0.245 nan 8.210 nan 0.000 0.481 1215 S N 3.440 119.197 115.700 0.096 0.000 2.780 1215 S HA 0.591 5.062 4.470 0.002 0.000 0.248 1215 S C 0.202 174.917 174.600 0.191 0.000 1.036 1215 S CA -0.428 57.887 58.200 0.191 0.000 1.061 1215 S CB 0.704 63.977 63.200 0.123 0.000 1.037 1215 S HN 0.512 nan 8.310 nan 0.000 0.584 1216 A N 2.385 125.251 122.820 0.075 0.000 2.435 1216 A HA 0.820 5.141 4.320 0.002 0.000 0.304 1216 A C -2.174 175.369 177.584 -0.069 0.000 1.064 1216 A CA -1.936 50.102 52.037 0.002 0.000 0.727 1216 A CB 1.255 20.263 19.000 0.012 0.000 1.284 1216 A HN 0.067 nan 8.150 nan 0.000 0.415 1217 P HA -0.195 nan 4.420 nan 0.000 0.216 1217 P C 0.614 177.861 177.300 -0.089 0.000 1.150 1217 P CA 1.729 64.731 63.100 -0.163 0.000 0.837 1217 P CB -0.018 31.563 31.700 -0.199 0.000 0.786 1218 D N 0.074 120.437 120.400 -0.060 0.000 2.219 1218 D HA -0.185 4.456 4.640 0.002 0.000 0.205 1218 D C 1.772 178.060 176.300 -0.020 0.000 0.970 1218 D CA 0.882 54.860 54.000 -0.036 0.000 0.851 1218 D CB -0.587 40.198 40.800 -0.025 0.000 0.943 1218 D HN 0.306 nan 8.370 nan 0.000 0.488 1219 Q N 0.535 120.328 119.800 -0.013 0.000 2.123 1219 Q HA -0.031 4.311 4.340 0.002 0.000 0.199 1219 Q C 2.687 178.693 176.000 0.010 0.000 0.966 1219 Q CA 0.659 56.466 55.803 0.006 0.000 0.845 1219 Q CB 0.176 28.925 28.738 0.018 0.000 0.907 1219 Q HN 0.205 nan 8.270 nan 0.000 0.439 1220 V N 1.661 121.576 119.914 0.003 0.000 2.343 1220 V HA -0.267 3.854 4.120 0.002 0.000 0.247 1220 V C 2.325 178.423 176.094 0.006 0.000 1.051 1220 V CA 1.848 64.159 62.300 0.019 0.000 1.036 1220 V CB -0.535 31.290 31.823 0.004 0.000 0.654 1220 V HN 0.316 nan 8.190 nan 0.000 0.451 1221 K N 0.313 120.704 120.400 -0.015 0.000 2.063 1221 K HA -0.214 4.107 4.320 0.002 0.000 0.208 1221 K C 2.205 178.802 176.600 -0.005 0.000 1.048 1221 K CA 1.680 57.958 56.287 -0.014 0.000 0.928 1221 K CB -0.338 32.147 32.500 -0.025 0.000 0.713 1221 K HN 0.428 nan 8.250 nan 0.000 0.442 1222 A N 1.085 123.904 122.820 -0.003 0.000 1.902 1222 A HA -0.127 4.194 4.320 0.002 0.000 0.217 1222 A C 2.342 179.928 177.584 0.004 0.000 1.181 1222 A CA 1.947 53.985 52.037 0.002 0.000 0.623 1222 A CB -0.862 18.141 19.000 0.005 0.000 0.818 1222 A HN 0.498 nan 8.150 nan 0.000 0.443 1223 A N 0.019 122.844 122.820 0.008 0.000 1.892 1223 A HA -0.156 4.165 4.320 0.002 0.000 0.218 1223 A C 2.121 179.706 177.584 0.001 0.000 1.188 1223 A CA 1.745 53.786 52.037 0.007 0.000 0.631 1223 A CB -0.675 18.333 19.000 0.012 0.000 0.822 1223 A HN 0.526 nan 8.150 nan 0.000 0.447 1224 I N -0.336 120.237 120.570 0.004 0.000 2.315 1224 I HA -0.197 3.974 4.170 0.002 0.000 0.248 1224 I C 1.732 177.846 176.117 -0.005 0.000 1.117 1224 I CA 1.293 62.594 61.300 0.001 0.000 1.404 1224 I CB -0.415 37.590 38.000 0.008 0.000 1.071 1224 I HN 0.248 nan 8.210 nan 0.000 0.419 1225 D N 1.257 121.655 120.400 -0.005 0.000 2.144 1225 D HA -0.102 4.539 4.640 0.002 0.000 0.200 1225 D C 2.200 178.495 176.300 -0.008 0.000 0.978 1225 D CA 1.397 55.393 54.000 -0.007 0.000 0.833 1225 D CB -0.037 40.759 40.800 -0.005 0.000 0.961 1225 D HN 0.329 nan 8.370 nan 0.000 0.470 1226 A N -0.132 122.685 122.820 -0.006 0.000 2.216 1226 A HA 0.231 4.553 4.320 0.002 0.000 0.214 1226 A C 1.858 179.433 177.584 -0.015 0.000 1.160 1226 A CA 1.649 53.682 52.037 -0.006 0.000 0.725 1226 A CB -0.227 18.773 19.000 0.001 0.000 0.784 1226 A HN 0.324 nan 8.150 nan 0.000 0.472 1227 G N -2.507 106.281 108.800 -0.020 0.000 2.218 1227 G HA2 0.146 4.107 3.960 0.002 0.000 0.216 1227 G HA3 0.146 4.107 3.960 0.002 0.000 0.216 1227 G C 0.551 175.426 174.900 -0.042 0.000 0.994 1227 G CA 0.247 45.327 45.100 -0.032 0.000 0.637 1227 G HN 1.567 nan 8.290 nan 0.000 0.505 1228 A N 0.348 123.148 122.820 -0.034 0.000 2.492 1228 A HA 0.697 5.018 4.320 0.002 0.000 0.236 1228 A C 1.725 179.278 177.584 -0.052 0.000 1.078 1228 A CA 1.199 53.210 52.037 -0.043 0.000 0.773 1228 A CB 0.378 19.361 19.000 -0.029 0.000 1.023 1228 A HN 1.783 nan 8.150 nan 0.000 0.504 1229 A N 0.460 123.230 122.820 -0.084 0.000 2.147 1229 A HA 0.533 4.854 4.320 0.002 0.000 0.211 1229 A C 1.075 178.671 177.584 0.020 0.000 1.160 1229 A CA 1.285 53.263 52.037 -0.098 0.000 0.781 1229 A CB -0.378 18.417 19.000 -0.342 0.000 0.842 1229 A HN 2.225 nan 8.150 nan 0.000 0.475 1230 G N -2.693 106.120 108.800 0.023 0.000 2.441 1230 G HA2 0.630 4.591 3.960 0.002 0.000 0.294 1230 G HA3 0.630 4.591 3.960 0.002 0.000 0.294 1230 G C -1.355 173.556 174.900 0.019 0.000 1.393 1230 G CA 0.085 45.222 45.100 0.061 0.000 0.796 1230 G HN 1.059 nan 8.290 nan 0.000 0.494 1231 A N -0.724 122.120 122.820 0.039 0.000 2.498 1231 A HA 0.884 5.205 4.320 0.002 0.000 0.298 1231 A C -1.005 176.562 177.584 -0.028 0.000 1.075 1231 A CA -0.639 51.411 52.037 0.023 0.000 0.714 1231 A CB 1.313 20.372 19.000 0.099 0.000 1.299 1231 A HN 0.874 nan 8.150 nan 0.000 0.407 1232 I N 0.967 121.506 120.570 -0.051 0.000 2.474 1232 I HA 0.515 4.686 4.170 0.002 0.000 0.294 1232 I C -0.266 175.868 176.117 0.028 0.000 1.005 1232 I CA -0.375 60.882 61.300 -0.072 0.000 1.113 1232 I CB 2.354 40.325 38.000 -0.049 0.000 1.289 1232 I HN 0.508 nan 8.210 nan 0.000 0.436 1233 S N 2.710 118.442 115.700 0.053 0.000 2.557 1233 S HA 0.658 5.129 4.470 0.002 0.000 0.291 1233 S C 0.358 175.057 174.600 0.165 0.000 1.116 1233 S CA -0.551 57.747 58.200 0.164 0.000 0.992 1233 S CB 2.032 65.467 63.200 0.392 0.000 1.028 1233 S HN 0.914 nan 8.310 nan 0.000 0.484 1234 G N 1.189 110.050 108.800 0.102 0.000 2.639 1234 G HA2 0.083 4.044 3.960 0.002 0.000 0.201 1234 G HA3 0.083 4.044 3.960 0.002 0.000 0.201 1234 G C 1.257 176.207 174.900 0.082 0.000 1.260 1234 G CA 0.158 45.343 45.100 0.143 0.000 0.749 1234 G HN 0.573 nan 8.290 nan 0.000 0.611 1235 S N 1.584 117.277 115.700 -0.011 0.000 2.378 1235 S HA -0.228 4.244 4.470 0.002 0.000 0.229 1235 S C 2.711 177.274 174.600 -0.061 0.000 1.052 1235 S CA 1.960 60.141 58.200 -0.033 0.000 1.084 1235 S CB -0.580 62.575 63.200 -0.075 0.000 0.950 1235 S HN 0.673 nan 8.310 nan 0.000 0.440 1236 A N 0.717 123.490 122.820 -0.079 0.000 1.986 1236 A HA -0.093 4.228 4.320 0.002 0.000 0.220 1236 A C 2.049 179.352 177.584 -0.468 0.000 1.171 1236 A CA 1.415 53.308 52.037 -0.240 0.000 0.640 1236 A CB -0.654 18.268 19.000 -0.129 0.000 0.811 1236 A HN 0.555 nan 8.150 nan 0.000 0.451 1237 I N -0.849 119.555 120.570 -0.277 0.000 2.584 1237 I HA -0.123 4.049 4.170 0.002 0.000 0.255 1237 I C 2.189 178.235 176.117 -0.117 0.000 1.145 1237 I CA 0.540 61.703 61.300 -0.229 0.000 1.462 1237 I CB -0.133 37.854 38.000 -0.021 0.000 1.102 1237 I HN 0.137 nan 8.210 nan 0.000 0.433 1238 V N 0.982 120.868 119.914 -0.045 0.000 2.295 1238 V HA -0.263 3.858 4.120 0.002 0.000 0.246 1238 V C 2.490 178.567 176.094 -0.028 0.000 1.049 1238 V CA 1.634 63.930 62.300 -0.006 0.000 1.024 1238 V CB -0.801 31.045 31.823 0.039 0.000 0.648 1238 V HN 0.340 nan 8.190 nan 0.000 0.447 1239 K N 0.016 120.384 120.400 -0.053 0.000 2.059 1239 K HA -0.184 4.137 4.320 0.002 0.000 0.212 1239 K C 2.069 178.659 176.600 -0.016 0.000 1.050 1239 K CA 1.906 58.169 56.287 -0.039 0.000 0.927 1239 K CB -0.570 31.893 32.500 -0.061 0.000 0.714 1239 K HN 0.451 nan 8.250 nan 0.000 0.447 1240 I N 0.857 121.385 120.570 -0.070 0.000 2.361 1240 I HA -0.261 3.910 4.170 0.002 0.000 0.251 1240 I C 2.317 178.454 176.117 0.034 0.000 1.133 1240 I CA 1.027 62.309 61.300 -0.031 0.000 1.413 1240 I CB -0.305 37.593 38.000 -0.170 0.000 1.073 1240 I HN 0.103 nan 8.210 nan 0.000 0.424 1241 I N 1.109 121.676 120.570 -0.005 0.000 2.252 1241 I HA -0.271 3.901 4.170 0.002 0.000 0.245 1241 I C 2.596 178.745 176.117 0.054 0.000 1.102 1241 I CA 1.618 62.927 61.300 0.014 0.000 1.385 1241 I CB -0.402 37.594 38.000 -0.005 0.000 1.064 1241 I HN 0.361 nan 8.210 nan 0.000 0.414 1242 E N 0.731 120.958 120.200 0.045 0.000 2.371 1242 E HA -0.171 4.180 4.350 0.002 0.000 0.194 1242 E C 1.678 178.301 176.600 0.039 0.000 1.012 1242 E CA 0.420 56.843 56.400 0.037 0.000 0.860 1242 E CB -0.195 29.517 29.700 0.020 0.000 0.811 1242 E HN 0.577 nan 8.360 nan 0.000 0.502 1243 Q N -0.071 119.778 119.800 0.082 0.000 2.444 1243 Q HA 0.008 4.349 4.340 0.002 0.000 0.206 1243 Q C 0.031 175.920 176.000 -0.185 0.000 0.948 1243 Q CA 0.574 56.371 55.803 -0.010 0.000 0.946 1243 Q CB 0.259 29.013 28.738 0.027 0.000 1.027 1243 Q HN 0.507 nan 8.270 nan 0.000 0.513 1244 H N -1.526 117.536 119.070 -0.013 0.000 2.904 1244 H HA 0.159 4.716 4.556 0.002 0.000 0.242 1244 H C 0.762 176.086 175.328 -0.008 0.000 1.193 1244 H CA -0.307 55.736 56.048 -0.009 0.000 0.946 1244 H CB 0.192 29.949 29.762 -0.009 0.000 2.135 1244 H HN 0.068 nan 8.280 nan 0.000 0.652 1245 I N 1.178 121.795 120.570 0.077 0.000 2.248 1245 I HA -0.270 3.901 4.170 0.002 0.000 0.248 1245 I C 0.722 176.862 176.117 0.037 0.000 1.107 1245 I CA 1.421 62.749 61.300 0.047 0.000 1.373 1245 I CB 0.250 38.265 38.000 0.025 0.000 1.055 1245 I HN 0.373 nan 8.210 nan 0.000 0.418 1246 N N 1.058 119.775 118.700 0.029 0.000 2.671 1246 N HA 0.117 4.858 4.740 0.002 0.000 0.303 1246 N C -0.812 174.716 175.510 0.031 0.000 1.351 1246 N CA -0.018 53.045 53.050 0.022 0.000 0.991 1246 N CB 0.444 38.936 38.487 0.008 0.000 1.307 1246 N HN 0.459 nan 8.380 nan 0.000 0.512 1247 E N 0.523 120.756 120.200 0.056 0.000 3.364 1247 E HA 0.084 4.435 4.350 0.002 0.000 0.305 1247 E C -2.104 174.539 176.600 0.073 0.000 1.141 1247 E CA -0.944 55.498 56.400 0.070 0.000 1.079 1247 E CB 1.302 31.066 29.700 0.106 0.000 1.343 1247 E HN 0.103 nan 8.360 nan 0.000 0.391 1248 P HA -0.292 nan 4.420 nan 0.000 0.216 1248 P C 1.336 178.645 177.300 0.015 0.000 1.157 1248 P CA 1.405 64.520 63.100 0.025 0.000 0.880 1248 P CB 0.461 32.170 31.700 0.016 0.000 0.791 1249 E N 0.285 120.496 120.200 0.019 0.000 2.058 1249 E HA -0.236 4.115 4.350 0.002 0.000 0.194 1249 E C 2.173 178.778 176.600 0.008 0.000 0.997 1249 E CA 1.445 57.852 56.400 0.012 0.000 0.801 1249 E CB -0.185 29.525 29.700 0.016 0.000 0.746 1249 E HN -0.046 nan 8.360 nan 0.000 0.450 1250 K N 0.533 120.951 120.400 0.030 0.000 2.217 1250 K HA -0.059 4.262 4.320 0.002 0.000 0.202 1250 K C 2.046 178.600 176.600 -0.077 0.000 1.051 1250 K CA 1.066 57.373 56.287 0.033 0.000 0.952 1250 K CB -0.247 32.338 32.500 0.141 0.000 0.736 1250 K HN 0.207 nan 8.250 nan 0.000 0.453 1251 M N -0.122 119.437 119.600 -0.069 0.000 2.099 1251 M HA -0.128 4.354 4.480 0.002 0.000 0.262 1251 M C 1.536 177.746 176.300 -0.149 0.000 1.067 1251 M CA 1.552 56.745 55.300 -0.178 0.000 1.124 1251 M CB -0.059 32.518 32.600 -0.038 0.000 1.353 1251 M HN 0.170 nan 8.290 nan 0.000 0.410 1252 L N -0.033 121.147 121.223 -0.071 0.000 2.093 1252 L HA -0.134 4.207 4.340 0.002 0.000 0.208 1252 L C 2.742 179.585 176.870 -0.045 0.000 1.085 1252 L CA 1.092 55.905 54.840 -0.045 0.000 0.755 1252 L CB -1.024 41.022 42.059 -0.021 0.000 0.904 1252 L HN 0.370 nan 8.230 nan 0.000 0.435 1253 A N 0.155 122.945 122.820 -0.051 0.000 1.930 1253 A HA -0.106 4.215 4.320 0.002 0.000 0.217 1253 A C 2.527 180.080 177.584 -0.051 0.000 1.175 1253 A CA 1.584 53.599 52.037 -0.037 0.000 0.627 1253 A CB -0.596 18.389 19.000 -0.024 0.000 0.815 1253 A HN 0.380 nan 8.150 nan 0.000 0.443 1254 A N -0.723 122.023 122.820 -0.123 0.000 1.969 1254 A HA 0.057 4.378 4.320 0.002 0.000 0.218 1254 A C 1.986 179.540 177.584 -0.049 0.000 1.169 1254 A CA 1.338 53.294 52.037 -0.135 0.000 0.635 1254 A CB -0.370 18.401 19.000 -0.381 0.000 0.810 1254 A HN 0.372 nan 8.150 nan 0.000 0.445 1255 L N 0.082 121.275 121.223 -0.050 0.000 2.027 1255 L HA -0.136 4.205 4.340 0.002 0.000 0.206 1255 L C 2.387 179.317 176.870 0.100 0.000 1.074 1255 L CA 2.327 57.186 54.840 0.032 0.000 0.745 1255 L CB -1.181 40.883 42.059 0.009 0.000 0.898 1255 L HN 0.556 nan 8.230 nan 0.000 0.433 1256 K N -0.323 120.105 120.400 0.046 0.000 2.026 1256 K HA -0.147 4.174 4.320 0.002 0.000 0.208 1256 K C 1.986 178.605 176.600 0.033 0.000 1.048 1256 K CA 1.510 57.819 56.287 0.037 0.000 0.929 1256 K CB 0.046 32.554 32.500 0.013 0.000 0.713 1256 K HN 0.120 nan 8.250 nan 0.000 0.439 1257 V N 1.134 121.069 119.914 0.036 0.000 2.469 1257 V HA -0.225 3.897 4.120 0.002 0.000 0.251 1257 V C 2.010 178.131 176.094 0.045 0.000 1.064 1257 V CA 1.878 64.195 62.300 0.028 0.000 1.066 1257 V CB -0.598 31.245 31.823 0.033 0.000 0.667 1257 V HN 0.363 nan 8.190 nan 0.000 0.461 1258 F N 0.114 120.033 119.950 -0.052 0.000 2.270 1258 F HA -0.031 4.497 4.527 0.002 0.000 0.295 1258 F C 2.117 177.854 175.800 -0.105 0.000 1.087 1258 F CA 1.212 59.176 58.000 -0.059 0.000 1.365 1258 F CB 0.022 39.004 39.000 -0.030 0.000 1.056 1258 F HN -0.059 nan 8.300 nan 0.000 0.506 1259 V N 0.770 120.661 119.914 -0.038 0.000 2.453 1259 V HA -0.269 3.852 4.120 0.002 0.000 0.247 1259 V C 2.220 178.107 176.094 -0.345 0.000 1.048 1259 V CA 1.939 64.116 62.300 -0.205 0.000 1.049 1259 V CB -0.839 31.040 31.823 0.095 0.000 0.672 1259 V HN 0.376 nan 8.190 nan 0.000 0.457 1260 Q N -0.106 119.572 119.800 -0.203 0.000 2.014 1260 Q HA -0.230 4.111 4.340 0.002 0.000 0.207 1260 Q C 0.120 175.967 176.000 -0.256 0.000 0.993 1260 Q CA 2.457 58.151 55.803 -0.181 0.000 0.850 1260 Q CB -1.484 27.188 28.738 -0.110 0.000 0.916 1260 Q HN 0.533 nan 8.270 nan 0.000 0.417 1261 P HA -0.172 nan 4.420 nan 0.000 0.215 1261 P C 1.222 178.286 177.300 -0.393 0.000 1.153 1261 P CA 1.269 64.193 63.100 -0.294 0.000 0.853 1261 P CB -0.047 31.481 31.700 -0.286 0.000 0.788 1262 M N -0.569 118.653 119.600 -0.629 0.000 2.080 1262 M HA -0.180 4.301 4.480 0.002 0.000 0.260 1262 M C 2.100 177.988 176.300 -0.687 0.000 1.068 1262 M CA 1.837 56.658 55.300 -0.799 0.000 1.109 1262 M CB -1.582 30.167 32.600 -1.420 0.000 1.342 1262 M HN -0.111 nan 8.290 nan 0.000 0.405 1263 K N 0.751 120.750 120.400 -0.668 0.000 2.097 1263 K HA 0.029 4.350 4.320 0.002 0.000 0.205 1263 K C 1.875 178.378 176.600 -0.163 0.000 1.050 1263 K CA 1.684 57.793 56.287 -0.298 0.000 0.938 1263 K CB -0.580 31.831 32.500 -0.149 0.000 0.718 1263 K HN 0.208 nan 8.250 nan 0.000 0.442 1264 A N 0.770 123.480 122.820 -0.183 0.000 1.902 1264 A HA -0.040 4.281 4.320 0.002 0.000 0.217 1264 A C 2.320 179.843 177.584 -0.101 0.000 1.181 1264 A CA 1.906 53.873 52.037 -0.118 0.000 0.623 1264 A CB -1.088 17.840 19.000 -0.119 0.000 0.818 1264 A HN 0.427 nan 8.150 nan 0.000 0.443 1265 A N -1.701 121.038 122.820 -0.134 0.000 2.225 1265 A HA -0.022 4.299 4.320 0.002 0.000 0.215 1265 A C 2.029 179.579 177.584 -0.057 0.000 1.164 1265 A CA 1.922 53.900 52.037 -0.098 0.000 0.710 1265 A CB -0.856 18.070 19.000 -0.123 0.000 0.780 1265 A HN 0.406 nan 8.150 nan 0.000 0.473 1266 T N -0.916 113.611 114.554 -0.045 0.000 3.065 1266 T HA 0.132 4.483 4.350 0.002 0.000 0.252 1266 T C 0.883 175.585 174.700 0.003 0.000 1.099 1266 T CA -0.089 62.011 62.100 0.001 0.000 1.063 1266 T CB -0.189 68.703 68.868 0.041 0.000 0.948 1266 T HN 0.487 nan 8.240 nan 0.000 0.506 1267 R N 1.202 121.694 120.500 -0.013 0.000 2.459 1267 R HA 0.578 4.919 4.340 0.002 0.000 0.281 1267 R C -0.183 176.111 176.300 -0.009 0.000 1.050 1267 R CA -0.278 55.817 56.100 -0.008 0.000 1.055 1267 R CB 1.302 31.593 30.300 -0.015 0.000 1.045 1267 R HN 0.115 nan 8.270 nan 0.000 0.495 1268 S N 0.000 115.698 115.700 -0.003 0.000 2.498 1268 S HA 0.000 4.471 4.470 0.002 0.000 0.327 1268 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 1268 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 1268 S HN 0.000 nan 8.310 nan 0.000 0.517