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 1sq5_1_A DATA FIRST_RESID 1009 DATA SEQUENCE MTPYLQFDRN QWAALRDXXX MXLSEDEIAR LKGINEDLSL EEVAEIYLPL DATA SEQUENCE SRLLNFYISS NLRRQAVLEQ FLGTNXQRIP YIISIAGSVA VGKSTTARVL DATA SEQUENCE QALLSRWPEH RRVELITTDG FLHPNQVLKE RGLMKKKGFP ESYDMHRLVK DATA SEQUENCE FVSDLKSGVP NVTAPVYSHL IYDVIPDGDK TVVXPDILIL EGLNVLQSGM DATA SEQUENCE DYPHDPHHVF VSDFVDFSIY VDAPEDLLQT WYINRFLKFR EGAFTDPDSY DATA SEQUENCE FHNYAKLTKE EAIKTAMTLW KEINWLNLKQ NILPTRERAS LILTKSANHA DATA SEQUENCE VEEVRLRK 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 1009 M HA 0.000 nan 4.480 nan 0.000 0.227 1009 M C 0.000 176.313 176.300 0.022 0.000 1.140 1009 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1009 M CB 0.000 32.604 32.600 0.007 0.000 1.302 1010 T N -3.337 111.241 114.554 0.039 0.000 2.907 1010 T HA 0.658 5.007 4.350 -0.000 0.000 0.290 1010 T C -2.668 172.066 174.700 0.055 0.000 1.066 1010 T CA -1.712 60.430 62.100 0.069 0.000 1.012 1010 T CB 1.826 70.770 68.868 0.127 0.000 1.184 1010 T HN 0.406 nan 8.240 nan 0.000 0.522 1011 P HA 0.179 nan 4.420 nan 0.000 0.244 1011 P C -0.951 176.196 177.300 -0.255 0.000 1.211 1011 P CA 0.497 63.510 63.100 -0.146 0.000 0.760 1011 P CB -0.366 31.180 31.700 -0.257 0.000 0.961 1012 Y N -1.162 119.147 120.300 0.014 0.000 2.446 1012 Y HA 0.367 4.917 4.550 -0.000 0.000 0.345 1012 Y C 0.569 176.484 175.900 0.026 0.000 0.984 1012 Y CA -1.222 56.899 58.100 0.035 0.000 1.058 1012 Y CB 1.308 39.785 38.460 0.028 0.000 1.220 1012 Y HN -0.322 nan 8.280 nan 0.000 0.455 1013 L N 3.007 124.372 121.223 0.236 0.000 2.371 1013 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 1013 L C -0.204 176.682 176.870 0.027 0.000 1.124 1013 L CA -0.327 54.562 54.840 0.082 0.000 0.816 1013 L CB 1.198 43.373 42.059 0.195 0.000 1.129 1013 L HN 0.584 nan 8.230 nan 0.000 0.448 1014 Q N 2.307 121.947 119.800 -0.266 0.000 2.365 1014 Q HA 0.567 4.907 4.340 -0.000 0.000 0.269 1014 Q C -1.885 173.834 176.000 -0.470 0.000 1.061 1014 Q CA -0.614 55.077 55.803 -0.188 0.000 0.816 1014 Q CB 1.911 30.601 28.738 -0.080 0.000 1.325 1014 Q HN 0.420 nan 8.270 nan 0.000 0.446 1015 F N 2.109 122.145 119.950 0.142 0.000 2.557 1015 F HA 0.254 4.780 4.527 -0.000 0.000 0.316 1015 F C -0.243 175.634 175.800 0.128 0.000 1.141 1015 F CA -1.056 57.058 58.000 0.189 0.000 0.922 1015 F CB 1.418 40.654 39.000 0.393 0.000 1.194 1015 F HN 0.563 nan 8.300 nan 0.000 0.443 1016 D N 0.956 121.513 120.400 0.262 0.000 2.411 1016 D HA 0.244 4.884 4.640 -0.000 0.000 0.251 1016 D C 1.348 177.779 176.300 0.217 0.000 1.201 1016 D CA -0.680 53.423 54.000 0.171 0.000 0.996 1016 D CB 0.759 41.626 40.800 0.112 0.000 1.101 1016 D HN 0.510 nan 8.370 nan 0.000 0.504 1017 R N -0.188 120.400 120.500 0.147 0.000 2.112 1017 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 1017 R C 1.435 177.853 176.300 0.197 0.000 1.137 1017 R CA 1.704 57.899 56.100 0.158 0.000 0.944 1017 R CB -0.330 30.030 30.300 0.099 0.000 0.857 1017 R HN 0.489 nan 8.270 nan 0.000 0.435 1018 N N 0.670 119.462 118.700 0.152 0.000 2.120 1018 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 1018 N C 1.841 177.447 175.510 0.159 0.000 1.024 1018 N CA 1.520 54.650 53.050 0.132 0.000 0.852 1018 N CB -0.332 38.214 38.487 0.097 0.000 1.003 1018 N HN 0.455 nan 8.380 nan 0.000 0.424 1019 Q N -0.350 119.578 119.800 0.214 0.000 2.050 1019 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1019 Q C 1.987 178.155 176.000 0.280 0.000 0.980 1019 Q CA 0.981 56.945 55.803 0.268 0.000 0.840 1019 Q CB -0.239 28.722 28.738 0.372 0.000 0.898 1019 Q HN 0.538 nan 8.270 nan 0.000 0.424 1020 W N 0.981 122.359 121.300 0.130 0.000 2.358 1020 W HA -0.128 4.532 4.660 0.000 0.000 0.303 1020 W C 2.015 178.516 176.519 -0.030 0.000 1.208 1020 W CA 1.660 58.993 57.345 -0.021 0.000 1.274 1020 W CB -0.090 29.354 29.460 -0.028 0.000 1.138 1020 W HN 0.162 nan 8.180 nan 0.000 0.515 1021 A N 0.609 123.511 122.820 0.137 0.000 2.015 1021 A HA 0.019 4.338 4.320 -0.000 0.000 0.219 1021 A C 2.071 179.632 177.584 -0.039 0.000 1.163 1021 A CA 1.838 53.897 52.037 0.037 0.000 0.646 1021 A CB -1.103 17.954 19.000 0.095 0.000 0.806 1021 A HN 0.259 nan 8.150 nan 0.000 0.448 1022 A N -0.556 122.256 122.820 -0.013 0.000 2.070 1022 A HA 0.031 4.351 4.320 -0.000 0.000 0.220 1022 A C 1.792 179.332 177.584 -0.073 0.000 1.159 1022 A CA 1.339 53.366 52.037 -0.017 0.000 0.656 1022 A CB -0.447 18.571 19.000 0.029 0.000 0.800 1022 A HN 0.380 nan 8.150 nan 0.000 0.453 1023 L N -0.190 120.925 121.223 -0.180 0.000 2.187 1023 L HA -0.076 4.264 4.340 -0.000 0.000 0.213 1023 L C 1.464 178.242 176.870 -0.153 0.000 1.100 1023 L CA 1.107 55.806 54.840 -0.234 0.000 0.765 1023 L CB -0.820 40.932 42.059 -0.510 0.000 0.904 1023 L HN 0.334 nan 8.230 nan 0.000 0.437 1024 R N 0.157 120.580 120.500 -0.128 0.000 2.827 1024 R HA 0.059 4.399 4.340 -0.000 0.000 0.269 1024 R C 0.240 176.517 176.300 -0.038 0.000 1.048 1024 R CA -0.355 55.703 56.100 -0.070 0.000 1.173 1024 R CB 0.113 30.384 30.300 -0.048 0.000 1.070 1024 R HN 0.064 nan 8.270 nan 0.000 0.498 1032 S N 0.257 115.934 115.700 -0.039 0.000 2.652 1032 S HA 0.675 5.145 4.470 -0.000 0.000 0.267 1032 S C 1.303 175.887 174.600 -0.026 0.000 1.201 1032 S CA 1.200 59.380 58.200 -0.034 0.000 0.996 1032 S CB 1.031 64.208 63.200 -0.038 0.000 1.054 1032 S HN 2.411 nan 8.310 nan 0.000 0.561 1033 E N 0.438 120.624 120.200 -0.023 0.000 2.072 1033 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 1033 E C 1.382 177.970 176.600 -0.019 0.000 0.985 1033 E CA 1.809 58.198 56.400 -0.020 0.000 0.801 1033 E CB -1.632 28.058 29.700 -0.018 0.000 0.750 1033 E HN 0.851 nan 8.360 nan 0.000 0.452 1034 D N 0.441 120.829 120.400 -0.020 0.000 2.097 1034 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 1034 D C 1.954 178.243 176.300 -0.018 0.000 0.984 1034 D CA 1.366 55.355 54.000 -0.018 0.000 0.826 1034 D CB -0.200 40.589 40.800 -0.018 0.000 0.973 1034 D HN 0.660 nan 8.370 nan 0.000 0.460 1035 E N 0.175 120.362 120.200 -0.021 0.000 2.110 1035 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 1035 E C 2.147 178.736 176.600 -0.019 0.000 0.988 1035 E CA 0.567 56.955 56.400 -0.020 0.000 0.804 1035 E CB -0.066 29.619 29.700 -0.026 0.000 0.745 1035 E HN 0.364 nan 8.360 nan 0.000 0.458 1036 I N 1.029 121.587 120.570 -0.020 0.000 2.439 1036 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 1036 I C 2.491 178.594 176.117 -0.022 0.000 1.139 1036 I CA 0.660 61.949 61.300 -0.019 0.000 1.438 1036 I CB -0.221 37.769 38.000 -0.017 0.000 1.085 1036 I HN 0.061 nan 8.210 nan 0.000 0.427 1037 A N 0.750 123.557 122.820 -0.021 0.000 1.968 1037 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 1037 A C 2.444 180.013 177.584 -0.025 0.000 1.169 1037 A CA 1.187 53.211 52.037 -0.022 0.000 0.638 1037 A CB -0.501 18.488 19.000 -0.019 0.000 0.812 1037 A HN 0.309 nan 8.150 nan 0.000 0.446 1038 R N -0.351 120.135 120.500 -0.022 0.000 2.092 1038 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 1038 R C 1.842 178.123 176.300 -0.032 0.000 1.119 1038 R CA 1.189 57.275 56.100 -0.022 0.000 0.970 1038 R CB -0.316 29.974 30.300 -0.015 0.000 0.864 1038 R HN 0.515 nan 8.270 nan 0.000 0.440 1039 L N 0.566 121.767 121.223 -0.035 0.000 2.093 1039 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1039 L C 2.445 179.278 176.870 -0.062 0.000 1.085 1039 L CA 1.255 56.064 54.840 -0.051 0.000 0.755 1039 L CB -0.272 41.760 42.059 -0.045 0.000 0.904 1039 L HN 0.147 nan 8.230 nan 0.000 0.435 1040 K N -0.075 120.295 120.400 -0.050 0.000 2.155 1040 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 1040 K C 2.075 178.641 176.600 -0.056 0.000 1.052 1040 K CA 1.172 57.426 56.287 -0.055 0.000 0.948 1040 K CB -0.292 32.182 32.500 -0.043 0.000 0.728 1040 K HN 0.363 nan 8.250 nan 0.000 0.448 1041 G N 1.514 110.286 108.800 -0.046 0.000 2.448 1041 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 1041 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 1041 G C 1.536 176.406 174.900 -0.050 0.000 1.127 1041 G CA 0.373 45.448 45.100 -0.042 0.000 0.766 1041 G HN 0.135 nan 8.290 nan 0.000 0.552 1042 I N -0.265 120.270 120.570 -0.059 0.000 2.202 1042 I HA -0.032 4.137 4.170 -0.000 0.000 0.242 1042 I C 0.628 176.688 176.117 -0.094 0.000 1.091 1042 I CA 0.765 62.022 61.300 -0.071 0.000 1.368 1042 I CB 0.140 38.091 38.000 -0.082 0.000 1.058 1042 I HN 0.109 nan 8.210 nan 0.000 0.410 1043 N N -0.127 118.507 118.700 -0.110 0.000 2.655 1043 N HA 0.109 4.849 4.740 -0.000 0.000 0.277 1043 N C 0.268 175.704 175.510 -0.124 0.000 1.177 1043 N CA 0.618 53.586 53.050 -0.137 0.000 0.882 1043 N CB 1.230 39.605 38.487 -0.187 0.000 1.481 1043 N HN 0.122 nan 8.380 nan 0.000 0.547 1044 E N 1.580 121.715 120.200 -0.109 0.000 2.267 1044 E HA -0.170 4.179 4.350 -0.000 0.000 0.197 1044 E C 0.570 177.112 176.600 -0.096 0.000 0.998 1044 E CA 1.512 57.858 56.400 -0.091 0.000 0.830 1044 E CB -0.287 29.365 29.700 -0.081 0.000 0.751 1044 E HN 0.655 nan 8.360 nan 0.000 0.491 1045 D N -0.996 119.328 120.400 -0.127 0.000 2.339 1045 D HA 0.086 4.726 4.640 -0.000 0.000 0.217 1045 D C 0.245 176.463 176.300 -0.136 0.000 1.050 1045 D CA -0.236 53.687 54.000 -0.128 0.000 0.856 1045 D CB 0.150 40.853 40.800 -0.160 0.000 0.922 1045 D HN 0.352 nan 8.370 nan 0.000 0.518 1046 L N 1.596 122.734 121.223 -0.141 0.000 2.418 1046 L HA 0.061 4.401 4.340 -0.000 0.000 0.274 1046 L C 0.297 177.125 176.870 -0.071 0.000 1.135 1046 L CA -0.091 54.669 54.840 -0.133 0.000 0.870 1046 L CB 1.031 42.997 42.059 -0.155 0.000 1.154 1046 L HN -0.280 nan 8.230 nan 0.000 0.462 1047 S N 4.873 120.551 115.700 -0.036 0.000 2.510 1047 S HA 0.183 4.653 4.470 -0.000 0.000 0.279 1047 S C 1.351 175.964 174.600 0.023 0.000 1.284 1047 S CA -0.470 57.731 58.200 0.001 0.000 1.059 1047 S CB 0.217 63.433 63.200 0.026 0.000 0.901 1047 S HN 0.732 nan 8.310 nan 0.000 0.491 1048 L N 4.026 125.257 121.223 0.014 0.000 2.201 1048 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 1048 L C 2.634 179.532 176.870 0.046 0.000 1.105 1048 L CA 1.299 56.153 54.840 0.024 0.000 0.775 1048 L CB -0.339 41.725 42.059 0.009 0.000 0.913 1048 L HN 0.765 nan 8.230 nan 0.000 0.440 1049 E N 0.316 120.543 120.200 0.045 0.000 2.152 1049 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 1049 E C 2.004 178.653 176.600 0.081 0.000 0.983 1049 E CA 0.829 57.261 56.400 0.053 0.000 0.818 1049 E CB 0.276 30.002 29.700 0.043 0.000 0.758 1049 E HN 0.348 nan 8.360 nan 0.000 0.467 1050 E N 0.042 120.302 120.200 0.099 0.000 2.072 1050 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 1050 E C 1.949 178.687 176.600 0.232 0.000 0.985 1050 E CA 1.264 57.753 56.400 0.148 0.000 0.801 1050 E CB -0.118 29.687 29.700 0.174 0.000 0.750 1050 E HN 0.107 nan 8.360 nan 0.000 0.452 1051 V N 0.861 120.918 119.914 0.240 0.000 2.295 1051 V HA -0.281 3.838 4.120 -0.000 0.000 0.246 1051 V C 2.382 178.598 176.094 0.202 0.000 1.049 1051 V CA 1.961 64.436 62.300 0.291 0.000 1.024 1051 V CB -0.976 30.931 31.823 0.140 0.000 0.648 1051 V HN 0.479 nan 8.190 nan 0.000 0.447 1052 A N -0.470 122.423 122.820 0.122 0.000 1.933 1052 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 1052 A C 2.129 179.762 177.584 0.082 0.000 1.175 1052 A CA 1.856 53.943 52.037 0.084 0.000 0.628 1052 A CB -0.349 18.682 19.000 0.052 0.000 0.814 1052 A HN 0.675 nan 8.150 nan 0.000 0.444 1053 E N -1.169 119.087 120.200 0.093 0.000 2.340 1053 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 1053 E C 1.215 177.905 176.600 0.150 0.000 0.996 1053 E CA 0.352 56.809 56.400 0.094 0.000 0.869 1053 E CB 0.140 29.894 29.700 0.090 0.000 0.835 1053 E HN 0.541 nan 8.360 nan 0.000 0.493 1054 I N -0.734 119.906 120.570 0.116 0.000 3.345 1054 I HA -0.035 4.135 4.170 -0.000 0.000 0.258 1054 I C 1.784 177.906 176.117 0.008 0.000 1.134 1054 I CA 0.709 62.045 61.300 0.060 0.000 1.457 1054 I CB -1.106 36.689 38.000 -0.342 0.000 1.425 1054 I HN 0.036 nan 8.210 nan 0.000 0.461 1055 Y N 1.238 121.652 120.300 0.190 0.000 2.314 1055 Y HA -0.002 4.548 4.550 -0.000 0.000 0.293 1055 Y C 2.602 178.598 175.900 0.160 0.000 1.129 1055 Y CA 0.853 59.049 58.100 0.160 0.000 1.201 1055 Y CB -0.337 38.178 38.460 0.091 0.000 0.999 1055 Y HN 0.017 nan 8.280 nan 0.000 0.541 1056 L N -0.115 121.251 121.223 0.239 0.000 2.027 1056 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 1056 L C -0.508 176.452 176.870 0.150 0.000 1.074 1056 L CA 1.277 56.220 54.840 0.171 0.000 0.745 1056 L CB -1.381 40.737 42.059 0.100 0.000 0.898 1056 L HN 0.152 nan 8.230 nan 0.000 0.433 1057 P HA -0.193 nan 4.420 nan 0.000 0.217 1057 P C 1.641 178.994 177.300 0.088 0.000 1.150 1057 P CA 1.066 64.145 63.100 -0.034 0.000 0.832 1057 P CB 0.075 31.596 31.700 -0.298 0.000 0.787 1058 L N 0.077 121.495 121.223 0.325 0.000 2.056 1058 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 1058 L C 2.220 179.202 176.870 0.187 0.000 1.078 1058 L CA 2.301 57.377 54.840 0.393 0.000 0.749 1058 L CB -1.472 40.785 42.059 0.330 0.000 0.901 1058 L HN -0.007 nan 8.230 nan 0.000 0.433 1059 S N -1.074 114.737 115.700 0.186 0.000 2.402 1059 S HA -0.160 4.309 4.470 -0.000 0.000 0.229 1059 S C 2.122 176.741 174.600 0.031 0.000 1.021 1059 S CA 0.707 58.988 58.200 0.135 0.000 0.974 1059 S CB -0.547 62.822 63.200 0.281 0.000 0.800 1059 S HN 0.511 nan 8.310 nan 0.000 0.484 1060 R N 0.385 120.955 120.500 0.117 0.000 2.066 1060 R HA 0.080 4.419 4.340 -0.000 0.000 0.232 1060 R C 2.441 178.640 176.300 -0.167 0.000 1.131 1060 R CA 1.361 57.452 56.100 -0.015 0.000 0.955 1060 R CB -0.767 29.560 30.300 0.045 0.000 0.851 1060 R HN 0.425 nan 8.270 nan 0.000 0.432 1061 L N 1.367 122.620 121.223 0.051 0.000 2.012 1061 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1061 L C 2.074 179.002 176.870 0.096 0.000 1.073 1061 L CA 1.685 56.652 54.840 0.213 0.000 0.748 1061 L CB -0.370 41.824 42.059 0.225 0.000 0.891 1061 L HN 0.146 nan 8.230 nan 0.000 0.431 1062 L N -0.235 120.895 121.223 -0.155 0.000 2.042 1062 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 1062 L C 2.527 179.183 176.870 -0.356 0.000 1.076 1062 L CA 1.779 56.406 54.840 -0.356 0.000 0.749 1062 L CB -0.942 40.898 42.059 -0.366 0.000 0.893 1062 L HN 0.542 nan 8.230 nan 0.000 0.432 1063 N N 0.431 118.822 118.700 -0.516 0.000 2.166 1063 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 1063 N C 2.021 177.265 175.510 -0.444 0.000 1.019 1063 N CA 1.405 54.020 53.050 -0.726 0.000 0.856 1063 N CB -0.049 37.585 38.487 -1.422 0.000 0.993 1063 N HN 0.268 nan 8.380 nan 0.000 0.426 1064 F N -0.081 119.749 119.950 -0.199 0.000 2.134 1064 F HA -0.158 4.368 4.527 -0.000 0.000 0.299 1064 F C 1.962 177.666 175.800 -0.160 0.000 1.097 1064 F CA 0.814 58.729 58.000 -0.142 0.000 1.264 1064 F CB -0.318 38.626 39.000 -0.094 0.000 1.001 1064 F HN 0.042 nan 8.300 nan 0.000 0.479 1065 Y N 0.107 120.395 120.300 -0.020 0.000 2.200 1065 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 1065 Y C 2.270 178.049 175.900 -0.201 0.000 1.137 1065 Y CA 1.267 59.349 58.100 -0.031 0.000 1.163 1065 Y CB -0.618 37.846 38.460 0.007 0.000 0.988 1065 Y HN -0.003 nan 8.280 nan 0.000 0.518 1066 I N -1.334 119.022 120.570 -0.357 0.000 2.202 1066 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 1066 I C 2.351 178.305 176.117 -0.271 0.000 1.091 1066 I CA 1.341 62.231 61.300 -0.683 0.000 1.368 1066 I CB -0.535 36.964 38.000 -0.835 0.000 1.058 1066 I HN 0.048 nan 8.210 nan 0.000 0.410 1067 S N 0.163 115.761 115.700 -0.170 0.000 2.359 1067 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 1067 S C 2.203 176.789 174.600 -0.024 0.000 1.035 1067 S CA 1.882 60.041 58.200 -0.070 0.000 1.018 1067 S CB -0.401 62.774 63.200 -0.042 0.000 0.876 1067 S HN 0.459 nan 8.310 nan 0.000 0.448 1068 S N 1.938 117.628 115.700 -0.017 0.000 2.374 1068 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 1068 S C 1.934 176.548 174.600 0.024 0.000 1.037 1068 S CA 1.486 59.682 58.200 -0.006 0.000 1.024 1068 S CB -0.645 62.528 63.200 -0.045 0.000 0.861 1068 S HN 0.577 nan 8.310 nan 0.000 0.456 1069 N N 0.749 119.479 118.700 0.048 0.000 2.142 1069 N HA -0.052 4.687 4.740 -0.000 0.000 0.186 1069 N C 1.918 177.478 175.510 0.082 0.000 1.023 1069 N CA 1.423 54.542 53.050 0.114 0.000 0.852 1069 N CB -0.350 38.285 38.487 0.246 0.000 0.998 1069 N HN 0.455 nan 8.380 nan 0.000 0.424 1070 L N 0.945 122.195 121.223 0.045 0.000 2.046 1070 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 1070 L C 3.147 180.041 176.870 0.040 0.000 1.077 1070 L CA 1.733 56.600 54.840 0.045 0.000 0.747 1070 L CB -0.614 41.462 42.059 0.028 0.000 0.896 1070 L HN 0.246 nan 8.230 nan 0.000 0.432 1071 R N 0.050 120.568 120.500 0.030 0.000 2.075 1071 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 1071 R C 2.221 178.539 176.300 0.030 0.000 1.126 1071 R CA 1.418 57.533 56.100 0.026 0.000 0.963 1071 R CB -1.207 29.104 30.300 0.018 0.000 0.858 1071 R HN 0.269 nan 8.270 nan 0.000 0.435 1072 R N -0.008 120.512 120.500 0.034 0.000 2.080 1072 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 1072 R C 2.517 178.846 176.300 0.048 0.000 1.137 1072 R CA 1.995 58.116 56.100 0.036 0.000 0.943 1072 R CB -0.337 29.991 30.300 0.046 0.000 0.846 1072 R HN 0.617 nan 8.270 nan 0.000 0.431 1073 Q N 0.078 119.913 119.800 0.059 0.000 2.077 1073 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 1073 Q C 1.848 177.883 176.000 0.059 0.000 0.989 1073 Q CA 2.194 58.036 55.803 0.064 0.000 0.853 1073 Q CB -0.185 28.594 28.738 0.069 0.000 0.907 1073 Q HN 0.409 nan 8.270 nan 0.000 0.418 1074 A N -0.181 122.669 122.820 0.051 0.000 1.902 1074 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 1074 A C 2.356 179.973 177.584 0.054 0.000 1.181 1074 A CA 1.660 53.726 52.037 0.047 0.000 0.623 1074 A CB -0.774 18.249 19.000 0.038 0.000 0.818 1074 A HN 0.275 nan 8.150 nan 0.000 0.443 1075 V N 0.063 120.006 119.914 0.049 0.000 2.343 1075 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 1075 V C 2.539 178.688 176.094 0.091 0.000 1.051 1075 V CA 1.990 64.321 62.300 0.051 0.000 1.036 1075 V CB -0.685 31.151 31.823 0.021 0.000 0.654 1075 V HN 0.567 nan 8.190 nan 0.000 0.451 1076 L N -0.299 120.981 121.223 0.096 0.000 2.156 1076 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1076 L C 2.548 179.513 176.870 0.159 0.000 1.095 1076 L CA 1.597 56.531 54.840 0.157 0.000 0.770 1076 L CB -0.494 41.639 42.059 0.123 0.000 0.914 1076 L HN 0.433 nan 8.230 nan 0.000 0.439 1077 E N 0.212 120.473 120.200 0.102 0.000 2.110 1077 E HA -0.301 4.049 4.350 -0.000 0.000 0.193 1077 E C 2.174 178.817 176.600 0.071 0.000 0.988 1077 E CA 1.292 57.736 56.400 0.073 0.000 0.804 1077 E CB 0.056 29.788 29.700 0.054 0.000 0.745 1077 E HN 0.467 nan 8.360 nan 0.000 0.458 1078 Q N -0.459 119.396 119.800 0.092 0.000 2.046 1078 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 1078 Q C 2.053 178.127 176.000 0.123 0.000 0.975 1078 Q CA 1.522 57.379 55.803 0.089 0.000 0.836 1078 Q CB -0.258 28.533 28.738 0.089 0.000 0.896 1078 Q HN 0.370 nan 8.270 nan 0.000 0.428 1079 F N 0.984 120.940 119.950 0.009 0.000 2.102 1079 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 1079 F C 1.608 177.412 175.800 0.007 0.000 1.105 1079 F CA 1.385 59.389 58.000 0.008 0.000 1.239 1079 F CB -0.162 38.843 39.000 0.008 0.000 0.991 1079 F HN 0.069 nan 8.300 nan 0.000 0.474 1080 L N -0.080 121.086 121.223 -0.095 0.000 2.478 1080 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 1080 L C 1.767 178.556 176.870 -0.135 0.000 1.140 1080 L CA 0.629 55.347 54.840 -0.204 0.000 0.842 1080 L CB -1.177 40.864 42.059 -0.030 0.000 0.953 1080 L HN 0.424 nan 8.230 nan 0.000 0.452 1081 G N 1.177 109.933 108.800 -0.073 0.000 2.225 1081 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 1081 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 1081 G C 0.488 175.371 174.900 -0.029 0.000 1.024 1081 G CA 0.592 45.664 45.100 -0.047 0.000 0.784 1081 G HN 0.448 nan 8.290 nan 0.000 0.507 1082 T N -3.527 111.019 114.554 -0.013 0.000 2.770 1082 T HA 0.641 4.990 4.350 -0.000 0.000 0.281 1082 T C 0.660 175.363 174.700 0.005 0.000 0.981 1082 T CA 0.750 62.848 62.100 -0.004 0.000 0.955 1082 T CB 1.061 69.933 68.868 0.007 0.000 1.060 1082 T HN 1.523 nan 8.240 nan 0.000 0.531 1086 R N 2.065 122.581 120.500 0.028 0.000 2.265 1086 R HA 0.675 5.015 4.340 -0.000 0.000 0.314 1086 R C -0.896 175.424 176.300 0.033 0.000 1.053 1086 R CA 0.017 56.139 56.100 0.036 0.000 0.931 1086 R CB 0.237 30.559 30.300 0.037 0.000 1.024 1086 R HN 0.386 nan 8.270 nan 0.000 0.457 1087 I N 4.138 124.735 120.570 0.044 0.000 2.436 1087 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 1087 I C -2.132 174.020 176.117 0.058 0.000 1.010 1087 I CA -2.621 58.702 61.300 0.038 0.000 1.098 1087 I CB 2.177 40.201 38.000 0.040 0.000 1.266 1087 I HN 0.545 nan 8.210 nan 0.000 0.434 1088 P HA -0.011 nan 4.420 nan 0.000 0.265 1088 P C -1.196 176.161 177.300 0.095 0.000 1.193 1088 P CA 0.055 63.195 63.100 0.066 0.000 0.765 1088 P CB 0.134 31.849 31.700 0.025 0.000 0.823 1089 Y N 3.689 123.997 120.300 0.013 0.000 2.335 1089 Y HA 0.395 4.945 4.550 -0.000 0.000 0.331 1089 Y C -0.087 175.827 175.900 0.024 0.000 1.094 1089 Y CA -0.011 58.100 58.100 0.018 0.000 1.253 1089 Y CB 0.351 38.803 38.460 -0.013 0.000 1.203 1089 Y HN 0.216 nan 8.280 nan 0.000 0.508 1090 I N 7.896 128.293 120.570 -0.288 0.000 2.465 1090 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 1090 I C -0.924 175.139 176.117 -0.090 0.000 1.014 1090 I CA -0.689 60.552 61.300 -0.097 0.000 1.093 1090 I CB 1.709 39.678 38.000 -0.051 0.000 1.267 1090 I HN 0.480 nan 8.210 nan 0.000 0.431 1091 I N 5.229 125.841 120.570 0.070 0.000 2.406 1091 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 1091 I C 0.088 176.277 176.117 0.119 0.000 0.999 1091 I CA -0.277 61.108 61.300 0.142 0.000 1.124 1091 I CB 2.016 40.132 38.000 0.193 0.000 1.289 1091 I HN 0.592 nan 8.210 nan 0.000 0.441 1092 S N 6.840 122.609 115.700 0.114 0.000 2.578 1092 S HA 0.804 5.274 4.470 -0.000 0.000 0.301 1092 S C -0.688 173.972 174.600 0.100 0.000 1.091 1092 S CA -0.709 57.544 58.200 0.088 0.000 1.032 1092 S CB 1.919 65.154 63.200 0.058 0.000 1.064 1092 S HN 0.480 nan 8.310 nan 0.000 0.508 1093 I N 1.660 122.276 120.570 0.077 0.000 2.468 1093 I HA 0.607 4.777 4.170 -0.000 0.000 0.285 1093 I C 0.073 176.204 176.117 0.024 0.000 1.039 1093 I CA -0.683 60.657 61.300 0.066 0.000 1.074 1093 I CB 1.583 39.625 38.000 0.069 0.000 1.228 1093 I HN 0.928 nan 8.210 nan 0.000 0.436 1094 A N 4.443 127.259 122.820 -0.006 0.000 2.312 1094 A HA 1.056 5.376 4.320 -0.000 0.000 0.310 1094 A C 0.029 177.391 177.584 -0.369 0.000 1.139 1094 A CA -0.287 51.705 52.037 -0.076 0.000 0.886 1094 A CB 1.620 20.663 19.000 0.073 0.000 1.350 1094 A HN 1.002 nan 8.150 nan 0.000 0.479 1095 G N -1.331 107.192 108.800 -0.461 0.000 2.351 1095 G HA2 0.482 4.441 3.960 -0.000 0.000 0.353 1095 G HA3 0.482 4.441 3.960 -0.000 0.000 0.353 1095 G C -0.137 174.664 174.900 -0.165 0.000 1.358 1095 G CA 0.068 44.758 45.100 -0.683 0.000 0.995 1095 G HN 1.759 nan 8.290 nan 0.000 0.611 1096 S N -1.467 114.213 115.700 -0.033 0.000 2.569 1096 S HA 0.363 4.832 4.470 -0.000 0.000 0.274 1096 S C 1.066 175.799 174.600 0.223 0.000 1.353 1096 S CA 0.106 58.400 58.200 0.157 0.000 1.023 1096 S CB 0.632 64.008 63.200 0.295 0.000 0.876 1096 S HN 1.493 nan 8.310 nan 0.000 0.540 1097 V N 4.215 124.309 119.914 0.300 0.000 2.673 1097 V HA 0.382 4.502 4.120 -0.000 0.000 0.303 1097 V C 1.293 177.677 176.094 0.484 0.000 1.046 1097 V CA 1.061 63.586 62.300 0.376 0.000 1.126 1097 V CB -0.089 31.980 31.823 0.410 0.000 0.934 1097 V HN 1.652 nan 8.190 nan 0.000 0.487 1098 A N 3.587 126.651 122.820 0.405 0.000 3.021 1098 A HA -0.160 4.160 4.320 -0.000 0.000 0.257 1098 A C 1.303 179.133 177.584 0.409 0.000 1.277 1098 A CA 1.015 53.285 52.037 0.389 0.000 1.012 1098 A CB -1.980 17.307 19.000 0.477 0.000 1.147 1098 A HN 1.351 nan 8.150 nan 0.000 0.861 1099 V N -0.866 119.256 119.914 0.347 0.000 2.871 1099 V HA 0.412 4.532 4.120 -0.000 0.000 0.256 1099 V C 1.700 177.968 176.094 0.289 0.000 1.082 1099 V CA 2.703 65.248 62.300 0.408 0.000 1.105 1099 V CB 0.264 32.235 31.823 0.246 0.000 0.713 1099 V HN 2.479 nan 8.190 nan 0.000 0.473 1100 G N -0.229 108.660 108.800 0.148 0.000 2.157 1100 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.118 1100 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.118 1100 G C 0.536 175.439 174.900 0.005 0.000 1.032 1100 G CA 0.294 45.401 45.100 0.012 0.000 0.697 1100 G HN 0.430 nan 8.290 nan 0.000 0.495 1101 K N 0.359 120.781 120.400 0.037 0.000 2.026 1101 K HA -0.036 4.284 4.320 -0.000 0.000 0.208 1101 K C 2.661 179.272 176.600 0.018 0.000 1.048 1101 K CA 1.582 57.886 56.287 0.029 0.000 0.929 1101 K CB -0.223 32.301 32.500 0.040 0.000 0.713 1101 K HN 0.299 nan 8.250 nan 0.000 0.439 1102 S N 0.255 115.967 115.700 0.020 0.000 2.368 1102 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 1102 S C 1.942 176.521 174.600 -0.036 0.000 1.030 1102 S CA 1.834 60.040 58.200 0.011 0.000 0.999 1102 S CB -0.294 62.919 63.200 0.023 0.000 0.844 1102 S HN 0.278 nan 8.310 nan 0.000 0.459 1103 T N 1.210 115.713 114.554 -0.085 0.000 2.737 1103 T HA -0.060 4.289 4.350 -0.000 0.000 0.265 1103 T C 1.936 176.532 174.700 -0.173 0.000 1.038 1103 T CA 1.833 63.842 62.100 -0.152 0.000 1.144 1103 T CB -0.861 67.867 68.868 -0.232 0.000 0.866 1103 T HN 0.494 nan 8.240 nan 0.000 0.434 1104 T N 2.135 116.607 114.554 -0.136 0.000 2.684 1104 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 1104 T C 2.375 177.044 174.700 -0.051 0.000 1.036 1104 T CA 1.249 63.281 62.100 -0.114 0.000 1.148 1104 T CB -0.603 68.284 68.868 0.033 0.000 0.863 1104 T HN 0.424 nan 8.240 nan 0.000 0.436 1105 A N 1.863 124.677 122.820 -0.009 0.000 1.865 1105 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 1105 A C 2.383 179.970 177.584 0.005 0.000 1.191 1105 A CA 1.726 53.776 52.037 0.022 0.000 0.623 1105 A CB -0.576 18.448 19.000 0.039 0.000 0.826 1105 A HN 0.435 nan 8.150 nan 0.000 0.444 1106 R N -0.851 119.636 120.500 -0.021 0.000 2.096 1106 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 1106 R C 1.999 178.273 176.300 -0.043 0.000 1.127 1106 R CA 1.290 57.376 56.100 -0.024 0.000 0.968 1106 R CB -0.505 29.774 30.300 -0.035 0.000 0.861 1106 R HN 0.393 nan 8.270 nan 0.000 0.440 1107 V N 1.311 121.165 119.914 -0.100 0.000 2.307 1107 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 1107 V C 2.234 178.310 176.094 -0.029 0.000 1.045 1107 V CA 1.623 63.848 62.300 -0.126 0.000 1.024 1107 V CB -0.360 31.262 31.823 -0.335 0.000 0.651 1107 V HN 0.294 nan 8.190 nan 0.000 0.449 1108 L N -0.221 121.005 121.223 0.005 0.000 2.131 1108 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 1108 L C 2.630 179.543 176.870 0.071 0.000 1.092 1108 L CA 1.863 56.747 54.840 0.073 0.000 0.759 1108 L CB -0.573 41.538 42.059 0.087 0.000 0.903 1108 L HN 0.461 nan 8.230 nan 0.000 0.435 1109 Q N 0.262 120.092 119.800 0.051 0.000 2.084 1109 Q HA -0.222 4.117 4.340 -0.000 0.000 0.202 1109 Q C 2.274 178.317 176.000 0.071 0.000 0.978 1109 Q CA 1.823 57.662 55.803 0.059 0.000 0.844 1109 Q CB -0.037 28.730 28.738 0.048 0.000 0.898 1109 Q HN 0.488 nan 8.270 nan 0.000 0.426 1110 A N 0.910 123.761 122.820 0.052 0.000 1.873 1110 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 1110 A C 2.082 179.716 177.584 0.083 0.000 1.186 1110 A CA 1.296 53.363 52.037 0.050 0.000 0.616 1110 A CB -0.736 18.275 19.000 0.018 0.000 0.823 1110 A HN 0.450 nan 8.150 nan 0.000 0.442 1111 L N -0.696 120.590 121.223 0.105 0.000 2.056 1111 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 1111 L C 2.453 179.506 176.870 0.306 0.000 1.078 1111 L CA 0.948 55.886 54.840 0.163 0.000 0.749 1111 L CB -0.601 41.569 42.059 0.185 0.000 0.901 1111 L HN 0.334 nan 8.230 nan 0.000 0.433 1112 L N -0.805 120.591 121.223 0.290 0.000 2.265 1112 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 1112 L C 2.482 179.633 176.870 0.467 0.000 1.117 1112 L CA 0.587 55.656 54.840 0.383 0.000 0.782 1112 L CB -0.360 41.761 42.059 0.104 0.000 0.914 1112 L HN 0.176 nan 8.230 nan 0.000 0.441 1113 S N -0.555 115.312 115.700 0.277 0.000 2.515 1113 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 1113 S C 1.929 176.629 174.600 0.166 0.000 0.987 1113 S CA 0.611 58.936 58.200 0.209 0.000 0.936 1113 S CB -0.129 63.142 63.200 0.118 0.000 0.766 1113 S HN 0.382 nan 8.310 nan 0.000 0.528 1114 R N 0.034 120.625 120.500 0.151 0.000 2.120 1114 R HA -0.016 4.323 4.340 -0.000 0.000 0.234 1114 R C 0.311 176.516 176.300 -0.158 0.000 1.123 1114 R CA 0.599 56.650 56.100 -0.082 0.000 0.975 1114 R CB 0.076 30.195 30.300 -0.302 0.000 0.866 1114 R HN 0.388 nan 8.270 nan 0.000 0.446 1115 W N 1.078 122.329 121.300 -0.082 0.000 2.287 1115 W HA 0.117 4.777 4.660 -0.000 0.000 0.313 1115 W C -1.787 174.598 176.519 -0.224 0.000 1.267 1115 W CA -2.282 54.933 57.345 -0.216 0.000 1.201 1115 W CB 0.612 29.799 29.460 -0.456 0.000 1.196 1115 W HN -0.042 nan 8.180 nan 0.000 0.536 1116 P HA -0.204 nan 4.420 nan 0.000 0.219 1116 P C 1.029 178.309 177.300 -0.032 0.000 1.146 1116 P CA 1.757 64.845 63.100 -0.020 0.000 0.808 1116 P CB 0.441 32.125 31.700 -0.026 0.000 0.779 1117 E N -1.733 118.399 120.200 -0.113 0.000 2.150 1117 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 1117 E C 0.619 177.200 176.600 -0.032 0.000 0.985 1117 E CA 0.957 57.281 56.400 -0.127 0.000 0.814 1117 E CB -0.760 28.806 29.700 -0.224 0.000 0.752 1117 E HN 0.454 nan 8.360 nan 0.000 0.466 1118 H N -0.177 118.946 119.070 0.088 0.000 2.640 1118 H HA 0.327 4.883 4.556 -0.000 0.000 0.220 1118 H C 1.529 176.901 175.328 0.074 0.000 1.852 1118 H CA 0.422 56.509 56.048 0.066 0.000 1.275 1118 H CB -0.807 28.995 29.762 0.066 0.000 1.675 1118 H HN 0.133 nan 8.280 nan 0.000 0.523 1119 R N 1.706 122.287 120.500 0.136 0.000 2.120 1119 R HA -0.006 4.334 4.340 -0.000 0.000 0.234 1119 R C 1.002 177.359 176.300 0.094 0.000 1.123 1119 R CA 1.015 57.171 56.100 0.093 0.000 0.975 1119 R CB -0.364 29.974 30.300 0.064 0.000 0.866 1119 R HN 0.360 nan 8.270 nan 0.000 0.446 1120 R N -0.334 120.229 120.500 0.105 0.000 2.473 1120 R HA 0.480 4.820 4.340 -0.000 0.000 0.303 1120 R C -1.701 174.655 176.300 0.093 0.000 1.002 1120 R CA -0.624 55.529 56.100 0.088 0.000 0.884 1120 R CB 2.329 32.673 30.300 0.073 0.000 1.173 1120 R HN 0.115 nan 8.270 nan 0.000 0.464 1121 V N 3.400 123.368 119.914 0.090 0.000 2.350 1121 V HA 0.252 4.372 4.120 -0.000 0.000 0.285 1121 V C 0.030 176.172 176.094 0.080 0.000 1.014 1121 V CA -0.721 61.628 62.300 0.082 0.000 0.831 1121 V CB 1.547 33.420 31.823 0.083 0.000 1.000 1121 V HN 0.586 nan 8.190 nan 0.000 0.433 1122 E N 3.689 123.942 120.200 0.087 0.000 2.248 1122 E HA 0.548 4.898 4.350 -0.000 0.000 0.272 1122 E C -0.996 175.667 176.600 0.106 0.000 1.008 1122 E CA -0.560 55.899 56.400 0.099 0.000 0.856 1122 E CB 2.872 32.643 29.700 0.117 0.000 1.120 1122 E HN 0.465 nan 8.360 nan 0.000 0.397 1123 L N 4.125 125.411 121.223 0.105 0.000 2.406 1123 L HA 0.418 4.758 4.340 -0.000 0.000 0.272 1123 L C -1.403 175.535 176.870 0.114 0.000 0.980 1123 L CA -0.600 54.302 54.840 0.103 0.000 0.831 1123 L CB 0.940 43.046 42.059 0.079 0.000 1.253 1123 L HN 0.346 nan 8.230 nan 0.000 0.406 1124 I N 3.257 123.905 120.570 0.130 0.000 2.498 1124 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 1124 I C 0.316 176.502 176.117 0.115 0.000 1.032 1124 I CA -0.325 61.047 61.300 0.119 0.000 1.073 1124 I CB 2.241 40.322 38.000 0.136 0.000 1.251 1124 I HN 0.533 nan 8.210 nan 0.000 0.426 1125 T N -0.067 114.559 114.554 0.121 0.000 2.929 1125 T HA 0.346 4.696 4.350 -0.000 0.000 0.284 1125 T C 1.078 175.891 174.700 0.189 0.000 1.014 1125 T CA -0.261 61.921 62.100 0.137 0.000 1.051 1125 T CB 1.619 70.578 68.868 0.152 0.000 1.028 1125 T HN 0.736 nan 8.240 nan 0.000 0.485 1126 T N -1.541 113.114 114.554 0.168 0.000 3.085 1126 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 1126 T C 1.072 175.980 174.700 0.346 0.000 1.127 1126 T CA 0.452 62.694 62.100 0.237 0.000 1.103 1126 T CB -0.483 68.396 68.868 0.018 0.000 0.921 1126 T HN 0.582 nan 8.240 nan 0.000 0.510 1127 D N 2.311 122.828 120.400 0.195 0.000 2.149 1127 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 1127 D C 2.345 178.590 176.300 -0.092 0.000 1.001 1127 D CA 1.639 55.614 54.000 -0.040 0.000 0.849 1127 D CB -0.969 39.787 40.800 -0.073 0.000 0.939 1127 D HN 0.601 nan 8.370 nan 0.000 0.449 1128 G N -0.259 108.568 108.800 0.045 0.000 2.462 1128 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 1128 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 1128 G C 1.060 175.819 174.900 -0.235 0.000 1.121 1128 G CA 0.147 45.190 45.100 -0.095 0.000 0.758 1128 G HN 0.237 nan 8.290 nan 0.000 0.559 1129 F N 0.627 120.550 119.950 -0.044 0.000 2.804 1129 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 1129 F C 1.204 176.967 175.800 -0.062 0.000 1.154 1129 F CA -0.515 57.461 58.000 -0.039 0.000 1.401 1129 F CB -0.204 38.782 39.000 -0.024 0.000 1.106 1129 F HN -0.072 nan 8.300 nan 0.000 0.568 1130 L N 0.041 121.238 121.223 -0.043 0.000 2.464 1130 L HA 0.065 4.404 4.340 -0.000 0.000 0.264 1130 L C 0.771 177.534 176.870 -0.178 0.000 1.199 1130 L CA -0.330 54.340 54.840 -0.283 0.000 0.818 1130 L CB 0.263 42.037 42.059 -0.475 0.000 1.102 1130 L HN 0.065 nan 8.230 nan 0.000 0.473 1131 H N 1.600 120.623 119.070 -0.079 0.000 2.764 1131 H HA 0.150 4.705 4.556 -0.000 0.000 0.341 1131 H C -2.038 173.259 175.328 -0.053 0.000 1.072 1131 H CA -1.747 54.284 56.048 -0.029 0.000 1.444 1131 H CB 0.631 30.388 29.762 -0.009 0.000 1.458 1131 H HN 0.297 nan 8.280 nan 0.000 0.572 1132 P HA -0.064 nan 4.420 nan 0.000 0.269 1132 P C 0.874 178.186 177.300 0.019 0.000 1.217 1132 P CA -0.150 62.971 63.100 0.036 0.000 0.783 1132 P CB 0.787 32.503 31.700 0.027 0.000 0.898 1133 N N 0.779 119.473 118.700 -0.011 0.000 2.149 1133 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 1133 N C 1.590 177.103 175.510 0.005 0.000 1.019 1133 N CA 1.199 54.242 53.050 -0.011 0.000 0.857 1133 N CB -0.545 37.939 38.487 -0.004 0.000 0.997 1133 N HN 0.579 nan 8.380 nan 0.000 0.426 1134 Q N 0.691 120.494 119.800 0.005 0.000 2.030 1134 Q HA -0.125 4.214 4.340 -0.000 0.000 0.204 1134 Q C 1.787 177.783 176.000 -0.007 0.000 0.986 1134 Q CA 1.680 57.484 55.803 0.003 0.000 0.843 1134 Q CB 0.028 28.767 28.738 0.002 0.000 0.904 1134 Q HN 0.131 nan 8.270 nan 0.000 0.420 1135 V N 1.109 121.017 119.914 -0.009 0.000 2.343 1135 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 1135 V C 2.366 178.426 176.094 -0.057 0.000 1.051 1135 V CA 1.550 63.823 62.300 -0.044 0.000 1.036 1135 V CB -0.526 31.260 31.823 -0.062 0.000 0.654 1135 V HN 0.389 nan 8.190 nan 0.000 0.451 1136 L N -0.177 121.033 121.223 -0.021 0.000 2.046 1136 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1136 L C 2.587 179.442 176.870 -0.026 0.000 1.077 1136 L CA 1.886 56.712 54.840 -0.023 0.000 0.747 1136 L CB -0.644 41.408 42.059 -0.012 0.000 0.896 1136 L HN 0.315 nan 8.230 nan 0.000 0.432 1137 K N 0.637 121.030 120.400 -0.012 0.000 2.057 1137 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 1137 K C 1.933 178.522 176.600 -0.018 0.000 1.049 1137 K CA 1.645 57.928 56.287 -0.005 0.000 0.931 1137 K CB -0.001 32.503 32.500 0.007 0.000 0.714 1137 K HN 0.293 nan 8.250 nan 0.000 0.440 1138 E N 0.015 120.201 120.200 -0.025 0.000 2.085 1138 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 1138 E C 1.808 178.386 176.600 -0.037 0.000 0.994 1138 E CA 1.345 57.727 56.400 -0.030 0.000 0.801 1138 E CB 0.085 29.763 29.700 -0.036 0.000 0.743 1138 E HN 0.298 nan 8.360 nan 0.000 0.453 1139 R N -0.685 119.785 120.500 -0.051 0.000 2.310 1139 R HA 0.110 4.450 4.340 -0.000 0.000 0.202 1139 R C 0.893 177.160 176.300 -0.055 0.000 0.933 1139 R CA 0.476 56.542 56.100 -0.056 0.000 1.054 1139 R CB 0.542 30.797 30.300 -0.075 0.000 0.985 1139 R HN 0.179 nan 8.270 nan 0.000 0.489 1140 G N 1.698 110.471 108.800 -0.045 0.000 2.246 1140 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 1140 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 1140 G C 0.295 175.157 174.900 -0.064 0.000 1.055 1140 G CA -0.023 45.049 45.100 -0.046 0.000 0.851 1140 G HN 0.334 nan 8.290 nan 0.000 0.500 1141 L N -1.296 119.891 121.223 -0.059 0.000 3.014 1141 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 1141 L C 2.194 179.034 176.870 -0.051 0.000 1.207 1141 L CA -0.307 54.487 54.840 -0.077 0.000 1.017 1141 L CB 0.206 42.225 42.059 -0.067 0.000 1.360 1141 L HN 0.290 nan 8.230 nan 0.000 0.560 1142 M N 0.152 119.741 119.600 -0.018 0.000 2.549 1142 M HA -0.054 4.426 4.480 -0.000 0.000 0.260 1142 M C 1.456 177.792 176.300 0.059 0.000 1.076 1142 M CA 1.554 56.873 55.300 0.031 0.000 1.090 1142 M CB -0.061 32.577 32.600 0.063 0.000 1.418 1142 M HN -0.065 nan 8.290 nan 0.000 0.486 1143 K N -0.625 119.775 120.400 -0.001 0.000 2.440 1143 K HA 0.191 4.510 4.320 -0.000 0.000 0.206 1143 K C 0.161 176.700 176.600 -0.102 0.000 1.025 1143 K CA 0.087 56.371 56.287 -0.004 0.000 1.135 1143 K CB 0.593 33.075 32.500 -0.031 0.000 0.856 1143 K HN 0.123 nan 8.250 nan 0.000 0.502 1144 K N 0.924 121.251 120.400 -0.121 0.000 2.676 1144 K HA 0.182 4.501 4.320 -0.000 0.000 0.205 1144 K C -0.237 176.396 176.600 0.055 0.000 1.084 1144 K CA -0.141 56.002 56.287 -0.240 0.000 1.057 1144 K CB 0.997 33.256 32.500 -0.402 0.000 0.791 1144 K HN -0.017 nan 8.250 nan 0.000 0.484 1145 K N 0.355 120.793 120.400 0.062 0.000 2.447 1145 K HA 0.111 4.431 4.320 -0.000 0.000 0.281 1145 K C 0.996 177.663 176.600 0.112 0.000 1.031 1145 K CA 1.128 57.411 56.287 -0.006 0.000 1.019 1145 K CB 0.394 32.849 32.500 -0.074 0.000 0.918 1145 K HN 0.441 nan 8.250 nan 0.000 0.476 1146 G N 2.980 111.766 108.800 -0.023 0.000 2.259 1146 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 1146 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 1146 G C -0.164 174.883 174.900 0.244 0.000 1.001 1146 G CA -0.611 44.566 45.100 0.127 0.000 0.627 1146 G HN 0.453 nan 8.290 nan 0.000 0.501 1147 F N 1.455 121.438 119.950 0.054 0.000 2.410 1147 F HA 0.494 5.021 4.527 -0.000 0.000 0.334 1147 F C -0.295 175.594 175.800 0.149 0.000 1.134 1147 F CA -1.435 56.597 58.000 0.052 0.000 1.227 1147 F CB 0.747 39.724 39.000 -0.038 0.000 1.194 1147 F HN -0.164 nan 8.300 nan 0.000 0.571 1148 P HA -0.254 nan 4.420 nan 0.000 0.217 1148 P C 1.356 178.827 177.300 0.286 0.000 1.162 1148 P CA 2.125 65.204 63.100 -0.034 0.000 0.901 1148 P CB -0.038 31.240 31.700 -0.703 0.000 0.793 1149 E N 0.040 120.327 120.200 0.145 0.000 2.401 1149 E HA -0.128 4.222 4.350 -0.000 0.000 0.199 1149 E C 1.479 178.233 176.600 0.257 0.000 1.023 1149 E CA 1.606 58.087 56.400 0.135 0.000 0.859 1149 E CB -1.094 28.441 29.700 -0.275 0.000 0.780 1149 E HN 0.362 nan 8.360 nan 0.000 0.523 1150 S N -0.959 114.862 115.700 0.202 0.000 2.593 1150 S HA 0.041 4.510 4.470 -0.000 0.000 0.217 1150 S C 0.245 174.817 174.600 -0.047 0.000 0.966 1150 S CA -0.576 57.673 58.200 0.081 0.000 0.914 1150 S CB -0.458 62.678 63.200 -0.107 0.000 0.776 1150 S HN 0.188 nan 8.310 nan 0.000 0.523 1151 Y N 1.386 121.762 120.300 0.127 0.000 2.420 1151 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 1151 Y C 0.137 175.878 175.900 -0.265 0.000 1.094 1151 Y CA -1.211 56.853 58.100 -0.061 0.000 1.126 1151 Y CB 0.963 39.467 38.460 0.073 0.000 1.217 1151 Y HN 0.047 nan 8.280 nan 0.000 0.462 1152 D N 2.930 123.171 120.400 -0.266 0.000 2.631 1152 D HA 0.068 4.708 4.640 -0.000 0.000 0.227 1152 D C 0.919 177.194 176.300 -0.042 0.000 1.146 1152 D CA 0.095 53.961 54.000 -0.223 0.000 1.009 1152 D CB 0.237 40.932 40.800 -0.176 0.000 1.057 1152 D HN 0.490 nan 8.370 nan 0.000 0.509 1153 M N 1.236 120.745 119.600 -0.152 0.000 2.108 1153 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 1153 M C 1.487 177.520 176.300 -0.445 0.000 1.066 1153 M CA 1.320 56.352 55.300 -0.446 0.000 1.107 1153 M CB -0.704 31.325 32.600 -0.952 0.000 1.356 1153 M HN 0.499 nan 8.290 nan 0.000 0.406 1154 H N -1.083 117.865 119.070 -0.202 0.000 2.387 1154 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 1154 H C 2.217 177.503 175.328 -0.070 0.000 1.099 1154 H CA 1.605 57.572 56.048 -0.135 0.000 1.315 1154 H CB -0.384 29.359 29.762 -0.032 0.000 1.380 1154 H HN 0.398 nan 8.280 nan 0.000 0.513 1155 R N 0.436 121.003 120.500 0.110 0.000 2.073 1155 R HA -0.099 4.240 4.340 -0.000 0.000 0.229 1155 R C 2.313 178.680 176.300 0.111 0.000 1.120 1155 R CA 0.764 56.968 56.100 0.173 0.000 0.967 1155 R CB -0.191 30.268 30.300 0.266 0.000 0.862 1155 R HN 0.146 nan 8.270 nan 0.000 0.436 1156 L N 0.620 121.754 121.223 -0.149 0.000 2.046 1156 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 1156 L C 2.015 178.701 176.870 -0.306 0.000 1.077 1156 L CA 1.533 55.983 54.840 -0.649 0.000 0.747 1156 L CB -0.426 41.170 42.059 -0.770 0.000 0.896 1156 L HN -0.006 nan 8.230 nan 0.000 0.432 1157 V N 0.055 119.832 119.914 -0.228 0.000 2.295 1157 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 1157 V C 2.660 178.664 176.094 -0.149 0.000 1.049 1157 V CA 2.201 64.419 62.300 -0.136 0.000 1.024 1157 V CB -0.748 31.011 31.823 -0.108 0.000 0.648 1157 V HN 0.547 nan 8.190 nan 0.000 0.447 1158 K N -0.748 119.605 120.400 -0.077 0.000 2.209 1158 K HA -0.210 4.109 4.320 -0.000 0.000 0.204 1158 K C 2.069 178.623 176.600 -0.077 0.000 1.048 1158 K CA 1.537 57.774 56.287 -0.084 0.000 0.940 1158 K CB -0.240 32.267 32.500 0.011 0.000 0.729 1158 K HN 0.411 nan 8.250 nan 0.000 0.451 1159 F N 1.259 121.133 119.950 -0.127 0.000 2.051 1159 F HA -0.219 4.308 4.527 -0.000 0.000 0.296 1159 F C 1.865 177.577 175.800 -0.147 0.000 1.122 1159 F CA 1.873 59.832 58.000 -0.069 0.000 1.201 1159 F CB -0.508 38.493 39.000 0.001 0.000 0.978 1159 F HN -0.080 nan 8.300 nan 0.000 0.472 1160 V N -2.175 117.610 119.914 -0.216 0.000 2.548 1160 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 1160 V C 2.384 178.148 176.094 -0.550 0.000 1.055 1160 V CA 1.802 63.912 62.300 -0.316 0.000 1.065 1160 V CB -1.359 30.427 31.823 -0.061 0.000 0.681 1160 V HN 0.460 nan 8.190 nan 0.000 0.462 1161 S N 0.698 115.896 115.700 -0.837 0.000 2.356 1161 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 1161 S C 1.785 176.051 174.600 -0.557 0.000 1.032 1161 S CA 1.932 59.400 58.200 -1.219 0.000 1.005 1161 S CB -0.636 61.945 63.200 -1.032 0.000 0.867 1161 S HN 0.721 nan 8.310 nan 0.000 0.449 1162 D N 1.226 121.393 120.400 -0.389 0.000 2.117 1162 D HA -0.051 4.588 4.640 -0.000 0.000 0.197 1162 D C 1.986 178.134 176.300 -0.254 0.000 0.987 1162 D CA 0.915 54.760 54.000 -0.258 0.000 0.829 1162 D CB -0.454 40.226 40.800 -0.200 0.000 0.961 1162 D HN 0.383 nan 8.370 nan 0.000 0.460 1163 L N 0.111 121.125 121.223 -0.349 0.000 2.046 1163 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 1163 L C 2.045 178.819 176.870 -0.159 0.000 1.077 1163 L CA 1.047 55.721 54.840 -0.278 0.000 0.747 1163 L CB -0.145 41.698 42.059 -0.360 0.000 0.896 1163 L HN -0.128 nan 8.230 nan 0.000 0.432 1164 K N -0.711 119.595 120.400 -0.156 0.000 2.525 1164 K HA 0.035 4.355 4.320 -0.000 0.000 0.192 1164 K C 1.659 178.246 176.600 -0.021 0.000 1.029 1164 K CA 0.307 56.573 56.287 -0.035 0.000 1.029 1164 K CB 0.142 32.706 32.500 0.107 0.000 0.814 1164 K HN 0.040 nan 8.250 nan 0.000 0.503 1165 S N -1.449 114.206 115.700 -0.076 0.000 2.524 1165 S HA 0.191 4.661 4.470 -0.000 0.000 0.215 1165 S C 1.026 175.605 174.600 -0.035 0.000 0.986 1165 S CA 0.384 58.556 58.200 -0.046 0.000 0.911 1165 S CB 0.849 64.004 63.200 -0.074 0.000 0.805 1165 S HN 0.480 nan 8.310 nan 0.000 0.501 1166 G N 1.298 110.071 108.800 -0.045 0.000 2.157 1166 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.239 1166 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.239 1166 G C 0.110 174.988 174.900 -0.036 0.000 0.982 1166 G CA -0.097 44.986 45.100 -0.029 0.000 0.650 1166 G HN 0.380 nan 8.290 nan 0.000 0.527 1167 V N 2.741 122.621 119.914 -0.058 0.000 2.509 1167 V HA 0.092 4.212 4.120 -0.000 0.000 0.297 1167 V C 0.618 176.687 176.094 -0.043 0.000 1.014 1167 V CA -0.019 62.250 62.300 -0.051 0.000 1.127 1167 V CB 0.801 32.582 31.823 -0.069 0.000 0.925 1167 V HN 0.337 nan 8.190 nan 0.000 0.480 1168 P HA -0.140 nan 4.420 nan 0.000 0.214 1168 P C 0.209 177.505 177.300 -0.006 0.000 1.163 1168 P CA 1.312 64.406 63.100 -0.009 0.000 0.889 1168 P CB 0.254 31.953 31.700 -0.001 0.000 0.790 1169 N N -0.281 118.418 118.700 -0.001 0.000 2.354 1169 N HA 0.352 5.092 4.740 -0.000 0.000 0.287 1169 N C -0.953 174.568 175.510 0.018 0.000 1.016 1169 N CA -0.432 52.627 53.050 0.015 0.000 0.871 1169 N CB 2.881 41.383 38.487 0.025 0.000 1.299 1169 N HN -0.148 nan 8.380 nan 0.000 0.482 1170 V N 1.172 121.108 119.914 0.037 0.000 2.604 1170 V HA 0.505 4.625 4.120 -0.000 0.000 0.305 1170 V C 0.247 176.479 176.094 0.230 0.000 1.043 1170 V CA -0.566 61.779 62.300 0.075 0.000 0.888 1170 V CB 2.090 33.848 31.823 -0.108 0.000 0.995 1170 V HN 0.553 nan 8.190 nan 0.000 0.429 1171 T N 3.353 118.059 114.554 0.253 0.000 2.859 1171 T HA 0.786 5.136 4.350 -0.000 0.000 0.281 1171 T C -0.151 174.681 174.700 0.220 0.000 1.005 1171 T CA -0.292 61.933 62.100 0.208 0.000 1.025 1171 T CB 1.675 70.600 68.868 0.096 0.000 0.977 1171 T HN 1.030 nan 8.240 nan 0.000 0.458 1172 A N 4.343 127.170 122.820 0.013 0.000 2.386 1172 A HA 0.864 5.183 4.320 -0.000 0.000 0.311 1172 A C -2.774 174.570 177.584 -0.399 0.000 1.068 1172 A CA -2.017 49.818 52.037 -0.337 0.000 0.743 1172 A CB 1.242 19.908 19.000 -0.557 0.000 1.258 1172 A HN 0.543 nan 8.150 nan 0.000 0.429 1173 P HA 0.382 nan 4.420 nan 0.000 0.274 1173 P C -0.678 176.400 177.300 -0.371 0.000 1.237 1173 P CA -0.083 62.748 63.100 -0.448 0.000 0.793 1173 P CB 1.150 32.546 31.700 -0.507 0.000 0.977 1174 V N 2.215 122.014 119.914 -0.191 0.000 2.604 1174 V HA 0.298 4.418 4.120 -0.000 0.000 0.305 1174 V C -0.550 175.531 176.094 -0.020 0.000 1.043 1174 V CA -0.626 61.618 62.300 -0.092 0.000 0.888 1174 V CB 1.600 33.387 31.823 -0.060 0.000 0.995 1174 V HN 0.497 nan 8.190 nan 0.000 0.429 1175 Y N 2.483 122.713 120.300 -0.117 0.000 2.420 1175 Y HA 0.661 5.211 4.550 -0.000 0.000 0.334 1175 Y C 0.288 176.128 175.900 -0.099 0.000 1.094 1175 Y CA -0.315 57.703 58.100 -0.137 0.000 1.126 1175 Y CB 2.064 40.423 38.460 -0.167 0.000 1.217 1175 Y HN 0.590 nan 8.280 nan 0.000 0.462 1176 S N 3.520 118.790 115.700 -0.718 0.000 2.707 1176 S HA 0.264 4.734 4.470 -0.000 0.000 0.312 1176 S C -0.301 173.935 174.600 -0.606 0.000 1.116 1176 S CA -0.536 57.399 58.200 -0.442 0.000 1.078 1176 S CB 0.071 63.105 63.200 -0.278 0.000 0.997 1176 S HN 0.898 nan 8.310 nan 0.000 0.477 1177 H N 3.586 122.517 119.070 -0.230 0.000 2.545 1177 H HA 0.053 4.609 4.556 -0.000 0.000 0.282 1177 H C 2.158 177.441 175.328 -0.075 0.000 1.020 1177 H CA 1.604 57.600 56.048 -0.087 0.000 1.243 1177 H CB 0.071 29.825 29.762 -0.014 0.000 1.377 1177 H HN 0.604 nan 8.280 nan 0.000 0.581 1178 L N 0.687 121.901 121.223 -0.015 0.000 2.072 1178 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 1178 L C 2.121 179.037 176.870 0.077 0.000 1.079 1178 L CA 1.981 56.839 54.840 0.030 0.000 0.752 1178 L CB -1.110 40.948 42.059 -0.001 0.000 0.906 1178 L HN 0.588 nan 8.230 nan 0.000 0.436 1179 I N -6.870 113.677 120.570 -0.039 0.000 4.018 1179 I HA 0.305 4.474 4.170 -0.000 0.000 0.337 1179 I C 1.232 177.301 176.117 -0.080 0.000 1.327 1179 I CA -0.247 61.042 61.300 -0.018 0.000 1.100 1179 I CB 0.025 37.982 38.000 -0.071 0.000 1.025 1179 I HN 0.363 nan 8.210 nan 0.000 0.396 1180 Y N 2.571 122.610 120.300 -0.436 0.000 3.389 1180 Y HA -0.311 4.239 4.550 -0.000 0.000 0.213 1180 Y C -0.730 174.877 175.900 -0.488 0.000 1.272 1180 Y CA 0.844 58.587 58.100 -0.594 0.000 1.444 1180 Y CB -1.708 36.077 38.460 -1.126 0.000 1.445 1180 Y HN 0.785 nan 8.280 nan 0.000 0.583 1181 D N -1.760 118.201 120.400 -0.732 0.000 2.671 1181 D HA 0.526 5.166 4.640 -0.000 0.000 0.273 1181 D C -1.081 174.956 176.300 -0.439 0.000 1.264 1181 D CA 0.051 53.803 54.000 -0.414 0.000 0.788 1181 D CB 1.379 42.066 40.800 -0.188 0.000 1.324 1181 D HN 0.038 nan 8.370 nan 0.000 0.424 1182 V N 1.738 121.601 119.914 -0.084 0.000 2.715 1182 V HA 0.251 4.371 4.120 -0.000 0.000 0.299 1182 V C 0.564 176.596 176.094 -0.103 0.000 1.054 1182 V CA -0.182 62.099 62.300 -0.031 0.000 1.077 1182 V CB 0.785 32.614 31.823 0.010 0.000 0.972 1182 V HN 0.383 nan 8.190 nan 0.000 0.484 1183 I N 7.900 128.408 120.570 -0.105 0.000 2.363 1183 I HA 0.162 4.331 4.170 -0.000 0.000 0.292 1183 I C -0.574 175.505 176.117 -0.064 0.000 1.075 1183 I CA -1.358 59.889 61.300 -0.089 0.000 1.333 1183 I CB 0.970 38.919 38.000 -0.084 0.000 1.415 1183 I HN 0.576 nan 8.210 nan 0.000 0.502 1184 P HA -0.249 nan 4.420 nan 0.000 0.219 1184 P C 0.567 177.846 177.300 -0.035 0.000 1.159 1184 P CA 2.238 65.316 63.100 -0.037 0.000 0.944 1184 P CB -0.023 31.660 31.700 -0.028 0.000 0.792 1185 D N -1.121 119.260 120.400 -0.032 0.000 3.008 1185 D HA 0.441 5.081 4.640 -0.000 0.000 0.312 1185 D C 1.100 177.383 176.300 -0.030 0.000 1.361 1185 D CA 0.104 54.087 54.000 -0.027 0.000 0.858 1185 D CB -0.496 40.293 40.800 -0.018 0.000 1.098 1185 D HN 0.336 nan 8.370 nan 0.000 0.482 1186 G N 0.072 108.847 108.800 -0.041 0.000 3.651 1186 G HA2 0.314 4.274 3.960 -0.000 0.000 0.279 1186 G HA3 0.314 4.274 3.960 -0.000 0.000 0.279 1186 G C -0.169 174.703 174.900 -0.047 0.000 1.024 1186 G CA -0.241 44.835 45.100 -0.040 0.000 0.813 1186 G HN 0.311 nan 8.290 nan 0.000 0.518 1187 D N 1.269 121.637 120.400 -0.054 0.000 2.583 1187 D HA 0.093 4.733 4.640 -0.000 0.000 0.232 1187 D C 0.504 176.783 176.300 -0.035 0.000 1.128 1187 D CA 0.777 54.737 54.000 -0.066 0.000 0.859 1187 D CB 1.109 41.874 40.800 -0.057 0.000 1.169 1187 D HN 0.214 nan 8.370 nan 0.000 0.481 1188 K N 1.237 121.614 120.400 -0.038 0.000 2.156 1188 K HA 0.310 4.630 4.320 -0.000 0.000 0.271 1188 K C -0.834 175.793 176.600 0.045 0.000 0.995 1188 K CA -0.473 55.816 56.287 0.003 0.000 0.890 1188 K CB 0.792 33.293 32.500 0.002 0.000 1.073 1188 K HN 0.233 nan 8.250 nan 0.000 0.454 1189 T N 3.459 118.048 114.554 0.059 0.000 2.743 1189 T HA 0.207 4.557 4.350 -0.000 0.000 0.292 1189 T C -0.563 174.197 174.700 0.100 0.000 0.972 1189 T CA -0.590 61.560 62.100 0.084 0.000 0.967 1189 T CB 0.942 69.845 68.868 0.058 0.000 0.926 1189 T HN 0.299 nan 8.240 nan 0.000 0.459 1190 V N 5.702 125.703 119.914 0.146 0.000 2.432 1190 V HA 0.389 4.509 4.120 -0.000 0.000 0.271 1190 V C 0.681 176.823 176.094 0.081 0.000 1.046 1190 V CA -0.489 61.892 62.300 0.137 0.000 0.945 1190 V CB 0.685 32.635 31.823 0.213 0.000 0.992 1190 V HN 0.766 nan 8.190 nan 0.000 0.471 1194 D N 0.070 120.517 120.400 0.078 0.000 2.183 1194 D HA 0.144 4.784 4.640 -0.000 0.000 0.205 1194 D C 0.604 176.957 176.300 0.088 0.000 0.962 1194 D CA 1.147 55.201 54.000 0.090 0.000 0.849 1194 D CB 0.944 41.816 40.800 0.119 0.000 0.978 1194 D HN 0.316 nan 8.370 nan 0.000 0.488 1195 I N 0.758 121.373 120.570 0.074 0.000 2.619 1195 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 1195 I C -1.128 175.041 176.117 0.087 0.000 1.100 1195 I CA -0.851 60.497 61.300 0.079 0.000 1.043 1195 I CB 3.145 41.142 38.000 -0.005 0.000 1.239 1195 I HN -0.224 nan 8.210 nan 0.000 0.420 1196 L N 7.028 128.312 121.223 0.101 0.000 2.356 1196 L HA 0.622 4.961 4.340 -0.000 0.000 0.277 1196 L C -1.213 175.725 176.870 0.112 0.000 0.996 1196 L CA -0.221 54.684 54.840 0.107 0.000 0.822 1196 L CB 1.497 43.618 42.059 0.104 0.000 1.256 1196 L HN 0.453 nan 8.230 nan 0.000 0.413 1197 I N 5.814 126.452 120.570 0.114 0.000 2.312 1197 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 1197 I C -0.840 175.348 176.117 0.117 0.000 1.008 1197 I CA -0.555 60.810 61.300 0.108 0.000 1.226 1197 I CB 1.622 39.677 38.000 0.092 0.000 1.371 1197 I HN 0.434 nan 8.210 nan 0.000 0.468 1198 L N 7.760 129.050 121.223 0.111 0.000 2.276 1198 L HA 0.387 4.727 4.340 -0.000 0.000 0.286 1198 L C -0.152 176.763 176.870 0.076 0.000 1.024 1198 L CA 0.101 55.002 54.840 0.103 0.000 0.826 1198 L CB 0.874 42.991 42.059 0.096 0.000 1.211 1198 L HN 0.513 nan 8.230 nan 0.000 0.422 1199 E N 4.257 124.503 120.200 0.076 0.000 2.151 1199 E HA 0.721 5.071 4.350 -0.000 0.000 0.275 1199 E C -0.940 175.698 176.600 0.063 0.000 0.936 1199 E CA -0.506 55.935 56.400 0.067 0.000 0.777 1199 E CB 1.619 31.364 29.700 0.075 0.000 1.108 1199 E HN 0.807 nan 8.360 nan 0.000 0.401 1200 G N 2.857 111.683 108.800 0.042 0.000 2.473 1200 G HA2 0.194 4.154 3.960 -0.000 0.000 0.298 1200 G HA3 0.194 4.154 3.960 -0.000 0.000 0.298 1200 G C 0.183 175.089 174.900 0.011 0.000 1.575 1200 G CA -0.329 44.794 45.100 0.037 0.000 0.846 1200 G HN 0.475 nan 8.290 nan 0.000 0.585 1201 L N -0.177 121.066 121.223 0.033 0.000 2.362 1201 L HA 0.146 4.486 4.340 -0.000 0.000 0.219 1201 L C 1.546 178.406 176.870 -0.016 0.000 1.134 1201 L CA 2.015 56.867 54.840 0.019 0.000 0.807 1201 L CB -0.356 41.740 42.059 0.063 0.000 0.927 1201 L HN 0.497 nan 8.230 nan 0.000 0.447 1202 N N 0.057 118.701 118.700 -0.093 0.000 2.214 1202 N HA -0.008 4.732 4.740 -0.000 0.000 0.214 1202 N C 1.326 176.772 175.510 -0.105 0.000 1.132 1202 N CA 0.609 53.579 53.050 -0.134 0.000 0.856 1202 N CB -0.401 37.883 38.487 -0.337 0.000 1.020 1202 N HN 0.405 nan 8.380 nan 0.000 0.509 1203 V N -2.012 117.863 119.914 -0.065 0.000 3.026 1203 V HA 0.028 4.148 4.120 -0.000 0.000 0.265 1203 V C 1.555 177.650 176.094 0.001 0.000 1.121 1203 V CA 1.070 63.346 62.300 -0.039 0.000 1.142 1203 V CB -0.750 31.067 31.823 -0.009 0.000 0.730 1203 V HN 0.202 nan 8.190 nan 0.000 0.503 1204 L N -0.795 120.439 121.223 0.019 0.000 2.640 1204 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 1204 L C 1.406 178.266 176.870 -0.016 0.000 1.123 1204 L CA 0.020 54.874 54.840 0.022 0.000 0.900 1204 L CB 0.031 42.126 42.059 0.058 0.000 1.146 1204 L HN 0.379 nan 8.230 nan 0.000 0.484 1205 Q N 0.098 119.890 119.800 -0.013 0.000 2.471 1205 Q HA 0.239 4.579 4.340 -0.000 0.000 0.223 1205 Q C 0.255 176.206 176.000 -0.082 0.000 1.045 1205 Q CA 0.221 56.013 55.803 -0.020 0.000 0.956 1205 Q CB 1.261 30.047 28.738 0.081 0.000 1.249 1205 Q HN 0.299 nan 8.270 nan 0.000 0.549 1206 S N -1.822 113.760 115.700 -0.197 0.000 2.973 1206 S HA 0.474 4.944 4.470 -0.000 0.000 0.317 1206 S C 0.917 175.182 174.600 -0.559 0.000 1.196 1206 S CA -0.415 57.401 58.200 -0.641 0.000 0.894 1206 S CB 0.459 62.733 63.200 -1.545 0.000 1.292 1206 S HN 0.681 nan 8.310 nan 0.000 0.614 1207 G N 1.438 109.639 108.800 -0.998 0.000 2.469 1207 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 1207 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 1207 G C 1.444 176.183 174.900 -0.268 0.000 1.136 1207 G CA 1.358 46.051 45.100 -0.678 0.000 0.759 1207 G HN 0.896 nan 8.290 nan 0.000 0.562 1208 M N -0.417 119.031 119.600 -0.253 0.000 2.358 1208 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 1208 M C 1.013 177.262 176.300 -0.084 0.000 1.064 1208 M CA 1.829 57.048 55.300 -0.134 0.000 1.093 1208 M CB -0.254 32.263 32.600 -0.139 0.000 1.401 1208 M HN -0.086 nan 8.290 nan 0.000 0.440 1209 D N -0.184 120.185 120.400 -0.051 0.000 2.349 1209 D HA 0.007 4.646 4.640 -0.000 0.000 0.215 1209 D C -0.244 175.880 176.300 -0.294 0.000 1.016 1209 D CA 0.793 54.719 54.000 -0.123 0.000 0.870 1209 D CB 0.166 40.903 40.800 -0.104 0.000 0.917 1209 D HN 0.527 nan 8.370 nan 0.000 0.524 1210 Y N 0.164 120.429 120.300 -0.058 0.000 2.480 1210 Y HA 0.215 4.765 4.550 0.000 0.000 0.356 1210 Y C -1.639 174.119 175.900 -0.237 0.000 0.922 1210 Y CA -2.074 55.933 58.100 -0.154 0.000 1.146 1210 Y CB 0.996 39.344 38.460 -0.187 0.000 1.185 1210 Y HN -0.093 nan 8.280 nan 0.000 0.624 1211 P HA -0.235 nan 4.420 nan 0.000 0.219 1211 P C 1.156 178.494 177.300 0.063 0.000 1.146 1211 P CA 1.855 64.981 63.100 0.043 0.000 0.808 1211 P CB 0.138 31.878 31.700 0.068 0.000 0.779 1212 H N -1.073 118.049 119.070 0.087 0.000 2.495 1212 H HA 0.084 4.639 4.556 -0.000 0.000 0.287 1212 H C -0.105 175.308 175.328 0.141 0.000 1.033 1212 H CA 0.842 56.948 56.048 0.097 0.000 1.307 1212 H CB -0.315 29.498 29.762 0.086 0.000 1.401 1212 H HN 0.130 nan 8.280 nan 0.000 0.555 1213 D N 1.184 121.431 120.400 -0.256 0.000 3.036 1213 D HA 0.158 4.798 4.640 -0.000 0.000 0.244 1213 D C -2.974 173.333 176.300 0.011 0.000 1.337 1213 D CA -1.565 52.422 54.000 -0.021 0.000 0.829 1213 D CB 1.149 41.987 40.800 0.064 0.000 1.478 1213 D HN 0.097 nan 8.370 nan 0.000 0.570 1214 P HA 0.130 nan 4.420 nan 0.000 0.268 1214 P C -0.414 176.882 177.300 -0.006 0.000 1.205 1214 P CA 0.090 63.160 63.100 -0.050 0.000 0.771 1214 P CB 0.581 32.217 31.700 -0.106 0.000 0.858 1215 H N 1.325 120.288 119.070 -0.179 0.000 2.622 1215 H HA 0.370 4.926 4.556 -0.000 0.000 0.363 1215 H C 0.107 175.307 175.328 -0.213 0.000 1.151 1215 H CA -0.703 55.301 56.048 -0.074 0.000 1.184 1215 H CB 1.214 30.964 29.762 -0.020 0.000 1.643 1215 H HN 0.520 nan 8.280 nan 0.000 0.531 1216 H N 1.189 120.371 119.070 0.188 0.000 2.652 1216 H HA 0.263 4.819 4.556 -0.000 0.000 0.274 1216 H C -0.125 175.042 175.328 -0.268 0.000 1.021 1216 H CA 0.096 56.162 56.048 0.031 0.000 1.187 1216 H CB 1.313 31.083 29.762 0.013 0.000 1.505 1216 H HN 0.186 nan 8.280 nan 0.000 0.530 1217 V N 2.156 122.023 119.914 -0.079 0.000 2.531 1217 V HA 0.243 4.363 4.120 -0.000 0.000 0.301 1217 V C -0.370 175.722 176.094 -0.003 0.000 1.034 1217 V CA -0.736 61.391 62.300 -0.290 0.000 0.865 1217 V CB 1.506 33.337 31.823 0.014 0.000 0.995 1217 V HN 0.047 nan 8.190 nan 0.000 0.424 1218 F N 2.158 122.165 119.950 0.096 0.000 2.411 1218 F HA 0.438 4.965 4.527 -0.000 0.000 0.324 1218 F C 1.554 177.421 175.800 0.111 0.000 1.086 1218 F CA -0.953 57.129 58.000 0.137 0.000 1.028 1218 F CB 0.961 39.990 39.000 0.048 0.000 1.284 1218 F HN 0.186 nan 8.300 nan 0.000 0.501 1219 V N 0.687 120.781 119.914 0.299 0.000 2.324 1219 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 1219 V C 2.299 178.493 176.094 0.166 0.000 1.060 1219 V CA 2.518 64.938 62.300 0.200 0.000 1.042 1219 V CB -0.913 30.941 31.823 0.051 0.000 0.650 1219 V HN 0.939 nan 8.190 nan 0.000 0.450 1220 S N -0.354 115.425 115.700 0.131 0.000 2.440 1220 S HA -0.243 4.227 4.470 -0.000 0.000 0.238 1220 S C 1.508 176.085 174.600 -0.039 0.000 1.010 1220 S CA 1.571 59.805 58.200 0.057 0.000 0.972 1220 S CB -0.541 62.703 63.200 0.075 0.000 0.774 1220 S HN 0.630 nan 8.310 nan 0.000 0.501 1221 D N 0.569 120.880 120.400 -0.148 0.000 2.348 1221 D HA 0.069 4.709 4.640 -0.000 0.000 0.216 1221 D C 0.274 176.155 176.300 -0.698 0.000 0.970 1221 D CA 0.725 54.442 54.000 -0.471 0.000 0.889 1221 D CB -0.180 40.191 40.800 -0.714 0.000 0.912 1221 D HN 0.604 nan 8.370 nan 0.000 0.524 1222 F N -0.197 119.732 119.950 -0.034 0.000 2.735 1222 F HA 0.186 4.713 4.527 -0.000 0.000 0.308 1222 F C 0.195 175.953 175.800 -0.071 0.000 1.112 1222 F CA -0.365 57.602 58.000 -0.055 0.000 1.235 1222 F CB 0.959 39.924 39.000 -0.057 0.000 1.027 1222 F HN -0.350 nan 8.300 nan 0.000 0.528 1223 V N 0.929 120.860 119.914 0.028 0.000 2.459 1223 V HA 0.175 4.295 4.120 -0.000 0.000 0.295 1223 V C 0.297 176.335 176.094 -0.094 0.000 1.029 1223 V CA -0.626 61.660 62.300 -0.023 0.000 0.874 1223 V CB 1.833 33.659 31.823 0.005 0.000 0.985 1223 V HN 0.170 nan 8.190 nan 0.000 0.438 1224 D N 2.642 122.915 120.400 -0.212 0.000 2.162 1224 D HA 0.039 4.678 4.640 -0.000 0.000 0.205 1224 D C -0.057 176.223 176.300 -0.033 0.000 0.964 1224 D CA 1.585 55.423 54.000 -0.270 0.000 0.847 1224 D CB 0.595 40.836 40.800 -0.931 0.000 0.988 1224 D HN 0.389 nan 8.370 nan 0.000 0.480 1225 F N 0.838 120.690 119.950 -0.164 0.000 2.561 1225 F HA 0.224 4.751 4.527 -0.000 0.000 0.313 1225 F C -0.844 174.943 175.800 -0.022 0.000 1.126 1225 F CA -0.786 57.184 58.000 -0.050 0.000 0.918 1225 F CB 1.875 40.886 39.000 0.018 0.000 1.199 1225 F HN -0.296 nan 8.300 nan 0.000 0.444 1226 S N 6.022 121.552 115.700 -0.284 0.000 2.500 1226 S HA 0.825 5.294 4.470 -0.000 0.000 0.301 1226 S C -1.076 173.480 174.600 -0.074 0.000 1.092 1226 S CA -0.660 57.494 58.200 -0.076 0.000 1.030 1226 S CB 1.655 64.820 63.200 -0.059 0.000 1.031 1226 S HN 0.548 nan 8.310 nan 0.000 0.483 1227 I N 2.839 123.474 120.570 0.109 0.000 2.465 1227 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 1227 I C -1.398 174.815 176.117 0.159 0.000 1.014 1227 I CA -0.857 60.536 61.300 0.154 0.000 1.093 1227 I CB 1.901 40.027 38.000 0.209 0.000 1.267 1227 I HN 0.820 nan 8.210 nan 0.000 0.431 1228 Y N 6.610 126.932 120.300 0.037 0.000 2.356 1228 Y HA 0.530 5.080 4.550 -0.000 0.000 0.334 1228 Y C -0.660 175.266 175.900 0.043 0.000 0.958 1228 Y CA -0.780 57.341 58.100 0.034 0.000 1.196 1228 Y CB 1.208 39.674 38.460 0.011 0.000 1.137 1228 Y HN 0.238 nan 8.280 nan 0.000 0.485 1229 V N 6.050 125.845 119.914 -0.199 0.000 2.455 1229 V HA 0.171 4.291 4.120 -0.000 0.000 0.273 1229 V C -0.310 175.730 176.094 -0.090 0.000 1.045 1229 V CA -0.176 62.089 62.300 -0.059 0.000 0.976 1229 V CB 0.933 32.745 31.823 -0.018 0.000 0.993 1229 V HN 0.710 nan 8.190 nan 0.000 0.475 1230 D N 3.079 123.562 120.400 0.138 0.000 2.342 1230 D HA 0.836 5.476 4.640 -0.000 0.000 0.243 1230 D C -0.470 175.937 176.300 0.178 0.000 1.019 1230 D CA 0.022 54.161 54.000 0.232 0.000 0.864 1230 D CB 2.100 43.083 40.800 0.304 0.000 1.315 1230 D HN 0.901 nan 8.370 nan 0.000 0.468 1231 A N 2.550 125.463 122.820 0.155 0.000 2.599 1231 A HA 0.621 4.940 4.320 -0.000 0.000 0.294 1231 A C -2.823 174.756 177.584 -0.009 0.000 1.055 1231 A CA -1.188 50.892 52.037 0.073 0.000 0.683 1231 A CB 0.882 19.942 19.000 0.099 0.000 1.278 1231 A HN 0.450 nan 8.150 nan 0.000 0.412 1232 P HA 0.165 nan 4.420 nan 0.000 0.269 1232 P C 0.725 177.922 177.300 -0.171 0.000 1.215 1232 P CA -0.175 62.863 63.100 -0.103 0.000 0.780 1232 P CB 0.710 32.331 31.700 -0.132 0.000 0.898 1233 E N 2.337 122.481 120.200 -0.092 0.000 2.085 1233 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 1233 E C 1.117 177.520 176.600 -0.328 0.000 0.994 1233 E CA 1.808 58.129 56.400 -0.131 0.000 0.801 1233 E CB -0.306 29.311 29.700 -0.139 0.000 0.743 1233 E HN 0.572 nan 8.360 nan 0.000 0.453 1234 D N 0.260 120.469 120.400 -0.318 0.000 2.144 1234 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 1234 D C 2.321 178.315 176.300 -0.510 0.000 0.984 1234 D CA 0.788 54.572 54.000 -0.361 0.000 0.834 1234 D CB -0.631 40.016 40.800 -0.256 0.000 0.955 1234 D HN 0.302 nan 8.370 nan 0.000 0.465 1235 L N -0.031 120.807 121.223 -0.643 0.000 2.131 1235 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 1235 L C 2.871 178.809 176.870 -1.553 0.000 1.087 1235 L CA 0.336 54.505 54.840 -1.119 0.000 0.767 1235 L CB -0.281 41.039 42.059 -1.231 0.000 0.917 1235 L HN -0.021 nan 8.230 nan 0.000 0.441 1236 L N -0.451 120.129 121.223 -1.072 0.000 2.046 1236 L HA -0.264 4.075 4.340 -0.000 0.000 0.208 1236 L C 2.712 178.946 176.870 -1.060 0.000 1.077 1236 L CA 1.370 55.714 54.840 -0.827 0.000 0.747 1236 L CB -0.502 41.306 42.059 -0.418 0.000 0.896 1236 L HN 0.393 nan 8.230 nan 0.000 0.432 1237 Q N -0.327 118.764 119.800 -1.182 0.000 2.050 1237 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 1237 Q C 2.081 177.723 176.000 -0.598 0.000 0.980 1237 Q CA 2.351 57.411 55.803 -1.238 0.000 0.840 1237 Q CB -0.003 28.223 28.738 -0.854 0.000 0.898 1237 Q HN 0.439 nan 8.270 nan 0.000 0.424 1238 T N 0.133 114.389 114.554 -0.497 0.000 2.708 1238 T HA -0.170 4.179 4.350 -0.000 0.000 0.266 1238 T C 1.166 175.843 174.700 -0.039 0.000 1.037 1238 T CA 1.430 63.379 62.100 -0.252 0.000 1.146 1238 T CB -0.362 68.353 68.868 -0.257 0.000 0.865 1238 T HN 0.453 nan 8.240 nan 0.000 0.435 1239 W N 0.698 121.887 121.300 -0.185 0.000 2.363 1239 W HA 0.017 4.678 4.660 0.000 0.000 0.296 1239 W C 2.179 178.649 176.519 -0.082 0.000 1.212 1239 W CA -0.331 56.958 57.345 -0.093 0.000 1.260 1239 W CB -1.641 27.793 29.460 -0.042 0.000 1.131 1239 W HN 0.335 nan 8.180 nan 0.000 0.530 1240 Y N 0.728 121.011 120.300 -0.029 0.000 2.114 1240 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 1240 Y C 2.409 178.353 175.900 0.074 0.000 1.143 1240 Y CA 2.116 60.220 58.100 0.006 0.000 1.135 1240 Y CB -0.796 37.576 38.460 -0.147 0.000 0.980 1240 Y HN -0.196 nan 8.280 nan 0.000 0.499 1241 I N 0.399 120.976 120.570 0.011 0.000 2.179 1241 I HA -0.374 3.796 4.170 -0.000 0.000 0.242 1241 I C 1.937 178.059 176.117 0.009 0.000 1.088 1241 I CA 1.591 62.891 61.300 -0.001 0.000 1.357 1241 I CB -0.574 37.432 38.000 0.010 0.000 1.051 1241 I HN 0.304 nan 8.210 nan 0.000 0.409 1242 N N 0.687 119.384 118.700 -0.004 0.000 2.223 1242 N HA -0.204 4.536 4.740 -0.000 0.000 0.185 1242 N C 1.875 177.307 175.510 -0.129 0.000 1.016 1242 N CA 1.100 54.133 53.050 -0.028 0.000 0.863 1242 N CB -0.454 38.036 38.487 0.006 0.000 0.983 1242 N HN 0.374 nan 8.380 nan 0.000 0.429 1243 R N -0.212 120.179 120.500 -0.183 0.000 2.090 1243 R HA -0.051 4.289 4.340 -0.000 0.000 0.228 1243 R C 2.092 178.097 176.300 -0.491 0.000 1.110 1243 R CA 0.636 56.491 56.100 -0.407 0.000 0.973 1243 R CB -0.330 29.755 30.300 -0.357 0.000 0.869 1243 R HN 0.157 nan 8.270 nan 0.000 0.440 1244 F N 1.364 121.081 119.950 -0.389 0.000 2.102 1244 F HA -0.184 4.343 4.527 0.000 0.000 0.298 1244 F C 1.755 177.470 175.800 -0.142 0.000 1.105 1244 F CA 1.554 59.444 58.000 -0.184 0.000 1.239 1244 F CB -0.252 38.636 39.000 -0.187 0.000 0.991 1244 F HN -0.033 nan 8.300 nan 0.000 0.474 1245 L N 0.572 121.802 121.223 0.011 0.000 2.042 1245 L HA -0.257 4.082 4.340 -0.000 0.000 0.210 1245 L C 2.888 179.604 176.870 -0.256 0.000 1.076 1245 L CA 1.895 56.694 54.840 -0.068 0.000 0.749 1245 L CB -1.467 40.607 42.059 0.024 0.000 0.893 1245 L HN 0.263 nan 8.230 nan 0.000 0.432 1246 K N 0.211 120.412 120.400 -0.332 0.000 2.057 1246 K HA -0.177 4.142 4.320 -0.000 0.000 0.207 1246 K C 1.756 178.109 176.600 -0.411 0.000 1.049 1246 K CA 1.704 57.761 56.287 -0.383 0.000 0.931 1246 K CB -1.392 30.839 32.500 -0.448 0.000 0.714 1246 K HN 0.261 nan 8.250 nan 0.000 0.440 1247 F N 0.281 119.884 119.950 -0.579 0.000 2.134 1247 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 1247 F C 2.876 178.242 175.800 -0.724 0.000 1.097 1247 F CA 1.269 58.757 58.000 -0.855 0.000 1.264 1247 F CB 0.086 38.071 39.000 -1.692 0.000 1.001 1247 F HN 0.186 nan 8.300 nan 0.000 0.479 1248 R N 1.026 121.265 120.500 -0.435 0.000 2.070 1248 R HA -0.201 4.139 4.340 -0.000 0.000 0.233 1248 R C 1.959 177.947 176.300 -0.521 0.000 1.137 1248 R CA 2.050 58.007 56.100 -0.237 0.000 0.945 1248 R CB -0.398 29.777 30.300 -0.207 0.000 0.845 1248 R HN 0.237 nan 8.270 nan 0.000 0.430 1249 E N -0.839 118.923 120.200 -0.731 0.000 2.097 1249 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 1249 E C 1.675 177.747 176.600 -0.879 0.000 1.000 1249 E CA 1.354 56.999 56.400 -1.260 0.000 0.804 1249 E CB -0.273 29.053 29.700 -0.624 0.000 0.740 1249 E HN 0.634 nan 8.360 nan 0.000 0.454 1250 G N -0.438 108.098 108.800 -0.439 0.000 2.776 1250 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.209 1250 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.209 1250 G C 1.014 175.847 174.900 -0.112 0.000 1.145 1250 G CA 0.561 45.529 45.100 -0.219 0.000 0.791 1250 G HN 0.288 nan 8.290 nan 0.000 0.530 1251 A N -0.501 122.247 122.820 -0.119 0.000 2.469 1251 A HA 0.520 4.840 4.320 -0.000 0.000 0.245 1251 A C 1.530 179.255 177.584 0.235 0.000 1.221 1251 A CA -0.496 51.599 52.037 0.096 0.000 0.946 1251 A CB -0.131 18.978 19.000 0.181 0.000 1.049 1251 A HN 0.303 nan 8.150 nan 0.000 0.529 1252 F N 1.088 121.052 119.950 0.024 0.000 2.192 1252 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 1252 F C 2.318 178.162 175.800 0.074 0.000 1.079 1252 F CA 1.378 59.367 58.000 -0.017 0.000 1.303 1252 F CB 0.149 39.140 39.000 -0.015 0.000 1.024 1252 F HN 0.402 nan 8.300 nan 0.000 0.494 1253 T N -4.211 110.522 114.554 0.299 0.000 3.266 1253 T HA 0.110 4.460 4.350 -0.000 0.000 0.278 1253 T C -0.443 174.369 174.700 0.186 0.000 1.010 1253 T CA -0.414 61.818 62.100 0.220 0.000 0.909 1253 T CB 0.056 69.010 68.868 0.143 0.000 1.122 1253 T HN -0.067 nan 8.240 nan 0.000 0.536 1254 D N 2.248 122.804 120.400 0.259 0.000 2.400 1254 D HA 0.298 4.938 4.640 -0.000 0.000 0.272 1254 D C -1.885 174.457 176.300 0.070 0.000 1.220 1254 D CA -2.309 51.775 54.000 0.141 0.000 0.897 1254 D CB 1.982 42.853 40.800 0.118 0.000 1.134 1254 D HN 0.008 nan 8.370 nan 0.000 0.507 1255 P HA -0.026 nan 4.420 nan 0.000 0.236 1255 P C 0.178 177.333 177.300 -0.240 0.000 1.172 1255 P CA 0.512 63.248 63.100 -0.608 0.000 0.759 1255 P CB 0.618 32.008 31.700 -0.517 0.000 0.843 1256 D N -1.021 119.328 120.400 -0.085 0.000 2.350 1256 D HA 0.021 4.661 4.640 -0.000 0.000 0.213 1256 D C 0.726 177.047 176.300 0.036 0.000 1.031 1256 D CA 0.461 54.446 54.000 -0.025 0.000 0.861 1256 D CB 0.028 40.821 40.800 -0.011 0.000 0.926 1256 D HN 0.083 nan 8.370 nan 0.000 0.520 1257 S N -0.165 115.582 115.700 0.077 0.000 2.545 1257 S HA 0.032 4.502 4.470 -0.000 0.000 0.275 1257 S C 0.932 175.647 174.600 0.193 0.000 1.299 1257 S CA -0.622 57.671 58.200 0.155 0.000 1.048 1257 S CB 0.689 64.001 63.200 0.186 0.000 0.938 1257 S HN 0.164 nan 8.310 nan 0.000 0.496 1258 Y N 5.233 125.588 120.300 0.092 0.000 2.165 1258 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 1258 Y C 1.140 177.018 175.900 -0.038 0.000 1.155 1258 Y CA 1.789 59.889 58.100 -0.001 0.000 1.164 1258 Y CB -0.375 38.071 38.460 -0.024 0.000 0.978 1258 Y HN 0.806 nan 8.280 nan 0.000 0.513 1259 F N -0.608 119.365 119.950 0.039 0.000 2.641 1259 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 1259 F C 2.563 178.372 175.800 0.014 0.000 1.146 1259 F CA 1.277 59.299 58.000 0.036 0.000 1.464 1259 F CB -0.570 38.469 39.000 0.064 0.000 1.101 1259 F HN 0.304 nan 8.300 nan 0.000 0.585 1260 H N 0.562 119.668 119.070 0.060 0.000 2.489 1260 H HA -0.102 4.453 4.556 -0.000 0.000 0.293 1260 H C 1.616 176.911 175.328 -0.056 0.000 1.066 1260 H CA 1.098 57.179 56.048 0.055 0.000 1.305 1260 H CB -0.005 29.779 29.762 0.037 0.000 1.386 1260 H HN 0.224 nan 8.280 nan 0.000 0.551 1261 N N 0.218 118.825 118.700 -0.156 0.000 2.381 1261 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 1261 N C 1.024 176.299 175.510 -0.391 0.000 1.025 1261 N CA 0.834 53.670 53.050 -0.356 0.000 0.888 1261 N CB -0.287 37.776 38.487 -0.707 0.000 0.965 1261 N HN 0.534 nan 8.380 nan 0.000 0.438 1262 Y N 0.277 120.533 120.300 -0.073 0.000 2.482 1262 Y HA 0.240 4.790 4.550 -0.001 0.000 0.270 1262 Y C 2.174 178.120 175.900 0.076 0.000 1.152 1262 Y CA -0.031 58.091 58.100 0.038 0.000 1.292 1262 Y CB 0.164 38.689 38.460 0.109 0.000 1.070 1262 Y HN 0.001 nan 8.280 nan 0.000 0.528 1263 A N 0.859 123.753 122.820 0.124 0.000 2.066 1263 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 1263 A C 2.245 179.800 177.584 -0.048 0.000 1.157 1263 A CA 1.625 53.717 52.037 0.092 0.000 0.670 1263 A CB -0.723 18.242 19.000 -0.059 0.000 0.804 1263 A HN 0.365 nan 8.150 nan 0.000 0.453 1264 K N -0.096 120.274 120.400 -0.050 0.000 2.365 1264 K HA 0.332 4.652 4.320 -0.000 0.000 0.199 1264 K C 0.778 177.381 176.600 0.005 0.000 1.045 1264 K CA 0.897 57.159 56.287 -0.041 0.000 0.962 1264 K CB -0.813 31.667 32.500 -0.034 0.000 0.759 1264 K HN 0.568 nan 8.250 nan 0.000 0.469 1265 L N 1.894 123.156 121.223 0.065 0.000 2.399 1265 L HA 0.268 4.608 4.340 -0.000 0.000 0.266 1265 L C 1.055 177.980 176.870 0.091 0.000 1.114 1265 L CA -0.940 53.959 54.840 0.098 0.000 0.804 1265 L CB 1.644 43.812 42.059 0.182 0.000 1.146 1265 L HN 0.400 nan 8.230 nan 0.000 0.451 1266 T N -2.139 112.459 114.554 0.074 0.000 2.860 1266 T HA 0.066 4.416 4.350 -0.000 0.000 0.299 1266 T C 0.954 175.718 174.700 0.106 0.000 1.045 1266 T CA -0.561 61.578 62.100 0.064 0.000 1.071 1266 T CB 1.212 70.108 68.868 0.046 0.000 0.985 1266 T HN 0.666 nan 8.240 nan 0.000 0.537 1267 K N 0.896 121.359 120.400 0.105 0.000 2.044 1267 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 1267 K C 2.777 179.447 176.600 0.116 0.000 1.049 1267 K CA 2.043 58.410 56.287 0.134 0.000 0.927 1267 K CB -0.850 31.718 32.500 0.112 0.000 0.713 1267 K HN 0.860 nan 8.250 nan 0.000 0.443 1268 E N 1.129 121.378 120.200 0.081 0.000 2.058 1268 E HA -0.267 4.082 4.350 -0.000 0.000 0.194 1268 E C 1.678 178.319 176.600 0.068 0.000 0.997 1268 E CA 1.813 58.252 56.400 0.064 0.000 0.801 1268 E CB -0.672 29.055 29.700 0.045 0.000 0.746 1268 E HN 0.685 nan 8.360 nan 0.000 0.450 1269 E N -0.554 119.693 120.200 0.078 0.000 2.208 1269 E HA 0.097 4.447 4.350 -0.000 0.000 0.193 1269 E C 2.235 178.900 176.600 0.108 0.000 0.988 1269 E CA 0.815 57.264 56.400 0.081 0.000 0.828 1269 E CB -0.170 29.578 29.700 0.080 0.000 0.763 1269 E HN 0.474 nan 8.360 nan 0.000 0.478 1270 A N 0.946 123.862 122.820 0.160 0.000 1.930 1270 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 1270 A C 2.116 179.758 177.584 0.097 0.000 1.175 1270 A CA 1.012 53.196 52.037 0.246 0.000 0.627 1270 A CB -0.485 18.747 19.000 0.387 0.000 0.815 1270 A HN 0.333 nan 8.150 nan 0.000 0.443 1271 I N -0.498 120.124 120.570 0.085 0.000 2.226 1271 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 1271 I C 2.402 178.490 176.117 -0.048 0.000 1.100 1271 I CA 1.538 62.844 61.300 0.010 0.000 1.374 1271 I CB -0.250 37.775 38.000 0.041 0.000 1.057 1271 I HN 0.297 nan 8.210 nan 0.000 0.413 1272 K N 0.095 120.490 120.400 -0.008 0.000 2.097 1272 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 1272 K C 2.071 178.656 176.600 -0.025 0.000 1.050 1272 K CA 1.663 57.948 56.287 -0.004 0.000 0.938 1272 K CB -0.242 32.270 32.500 0.020 0.000 0.718 1272 K HN 0.303 nan 8.250 nan 0.000 0.442 1273 T N 1.169 115.694 114.554 -0.048 0.000 2.708 1273 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 1273 T C 2.045 176.623 174.700 -0.203 0.000 1.037 1273 T CA 1.419 63.481 62.100 -0.062 0.000 1.146 1273 T CB -0.262 68.615 68.868 0.015 0.000 0.865 1273 T HN 0.314 nan 8.240 nan 0.000 0.435 1274 A N 1.399 123.913 122.820 -0.510 0.000 1.902 1274 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 1274 A C 2.323 179.909 177.584 0.004 0.000 1.181 1274 A CA 1.751 53.444 52.037 -0.575 0.000 0.623 1274 A CB -0.749 17.625 19.000 -1.043 0.000 0.818 1274 A HN 0.495 nan 8.150 nan 0.000 0.443 1275 M N -0.609 118.987 119.600 -0.006 0.000 2.159 1275 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 1275 M C 1.947 178.322 176.300 0.126 0.000 1.063 1275 M CA 2.094 57.452 55.300 0.097 0.000 1.110 1275 M CB -0.255 32.369 32.600 0.040 0.000 1.374 1275 M HN 0.443 nan 8.290 nan 0.000 0.411 1276 T N 1.143 115.738 114.554 0.067 0.000 2.857 1276 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 1276 T C 1.714 176.456 174.700 0.070 0.000 1.048 1276 T CA 1.065 63.206 62.100 0.067 0.000 1.139 1276 T CB -0.257 68.641 68.868 0.049 0.000 0.874 1276 T HN 0.376 nan 8.240 nan 0.000 0.455 1277 L N 0.007 121.279 121.223 0.082 0.000 2.083 1277 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 1277 L C 2.535 179.398 176.870 -0.012 0.000 1.083 1277 L CA 1.318 56.215 54.840 0.095 0.000 0.752 1277 L CB -0.469 41.715 42.059 0.209 0.000 0.899 1277 L HN 0.504 nan 8.230 nan 0.000 0.433 1278 W N 1.792 122.972 121.300 -0.199 0.000 2.378 1278 W HA -0.192 4.468 4.660 -0.000 0.000 0.313 1278 W C 2.253 178.755 176.519 -0.030 0.000 1.197 1278 W CA 1.422 58.566 57.345 -0.334 0.000 1.304 1278 W CB -0.055 29.190 29.460 -0.359 0.000 1.148 1278 W HN 0.068 nan 8.180 nan 0.000 0.494 1279 K N 0.260 120.600 120.400 -0.099 0.000 2.025 1279 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 1279 K C 1.868 178.504 176.600 0.059 0.000 1.049 1279 K CA 1.877 58.194 56.287 0.051 0.000 0.933 1279 K CB -0.346 32.270 32.500 0.194 0.000 0.714 1279 K HN 0.190 nan 8.250 nan 0.000 0.438 1280 E N 0.031 120.239 120.200 0.013 0.000 2.299 1280 E HA -0.003 4.346 4.350 -0.000 0.000 0.193 1280 E C 1.712 178.306 176.600 -0.009 0.000 0.998 1280 E CA 0.629 57.031 56.400 0.004 0.000 0.851 1280 E CB 0.274 29.982 29.700 0.014 0.000 0.795 1280 E HN 0.279 nan 8.360 nan 0.000 0.492 1281 I N 0.261 120.815 120.570 -0.026 0.000 3.523 1281 I HA -0.048 4.122 4.170 -0.000 0.000 0.244 1281 I C 1.752 177.884 176.117 0.024 0.000 1.110 1281 I CA -0.058 61.290 61.300 0.080 0.000 1.517 1281 I CB -0.105 37.958 38.000 0.105 0.000 1.505 1281 I HN -0.079 nan 8.210 nan 0.000 0.460 1282 N N 0.593 119.152 118.700 -0.235 0.000 2.142 1282 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 1282 N C 1.562 176.674 175.510 -0.664 0.000 1.023 1282 N CA 1.389 54.180 53.050 -0.432 0.000 0.852 1282 N CB -0.355 37.826 38.487 -0.510 0.000 0.998 1282 N HN 0.431 nan 8.380 nan 0.000 0.424 1283 W N 1.890 122.454 121.300 -1.226 0.000 2.418 1283 W HA 0.043 4.703 4.660 -0.001 0.000 0.292 1283 W C 2.026 178.296 176.519 -0.416 0.000 1.213 1283 W CA 0.278 57.066 57.345 -0.927 0.000 1.283 1283 W CB -0.683 28.227 29.460 -0.917 0.000 1.119 1283 W HN -0.006 nan 8.180 nan 0.000 0.542 1284 L N 1.726 122.724 121.223 -0.376 0.000 2.046 1284 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 1284 L C 2.215 178.895 176.870 -0.317 0.000 1.077 1284 L CA 2.493 57.123 54.840 -0.350 0.000 0.747 1284 L CB -1.353 40.663 42.059 -0.073 0.000 0.896 1284 L HN 0.020 nan 8.230 nan 0.000 0.432 1285 N N -0.496 117.967 118.700 -0.395 0.000 2.166 1285 N HA -0.212 4.528 4.740 -0.000 0.000 0.186 1285 N C 1.834 177.090 175.510 -0.423 0.000 1.019 1285 N CA 1.661 54.249 53.050 -0.770 0.000 0.856 1285 N CB -0.356 37.558 38.487 -0.955 0.000 0.993 1285 N HN 0.375 nan 8.380 nan 0.000 0.426 1286 L N 1.038 122.093 121.223 -0.280 0.000 1.994 1286 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 1286 L C 1.927 178.723 176.870 -0.123 0.000 1.071 1286 L CA 1.869 56.644 54.840 -0.109 0.000 0.745 1286 L CB -0.676 41.416 42.059 0.054 0.000 0.892 1286 L HN 0.046 nan 8.230 nan 0.000 0.431 1287 K N -0.934 119.324 120.400 -0.237 0.000 2.057 1287 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 1287 K C 2.106 178.592 176.600 -0.190 0.000 1.050 1287 K CA 1.910 58.058 56.287 -0.232 0.000 0.935 1287 K CB -0.180 32.072 32.500 -0.414 0.000 0.715 1287 K HN 0.516 nan 8.250 nan 0.000 0.439 1288 Q N -0.273 119.397 119.800 -0.216 0.000 2.212 1288 Q HA 0.039 4.379 4.340 -0.000 0.000 0.199 1288 Q C 1.141 177.049 176.000 -0.153 0.000 0.950 1288 Q CA 0.795 56.500 55.803 -0.163 0.000 0.863 1288 Q CB 0.315 28.975 28.738 -0.130 0.000 0.944 1288 Q HN 0.326 nan 8.270 nan 0.000 0.465 1289 N N -0.744 117.840 118.700 -0.193 0.000 2.419 1289 N HA 0.165 4.905 4.740 -0.000 0.000 0.216 1289 N C 1.574 177.022 175.510 -0.103 0.000 1.118 1289 N CA 0.307 53.258 53.050 -0.165 0.000 0.850 1289 N CB 0.783 39.130 38.487 -0.235 0.000 1.292 1289 N HN 0.130 nan 8.380 nan 0.000 0.467 1290 I N 0.687 121.210 120.570 -0.078 0.000 2.499 1290 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 1290 I C 2.120 178.306 176.117 0.116 0.000 1.085 1290 I CA 0.343 61.666 61.300 0.037 0.000 1.422 1290 I CB -0.090 37.943 38.000 0.055 0.000 1.165 1290 I HN -0.071 nan 8.210 nan 0.000 0.440 1291 L N 2.511 123.786 121.223 0.087 0.000 2.081 1291 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 1291 L C -0.642 176.178 176.870 -0.083 0.000 1.080 1291 L CA 2.360 57.230 54.840 0.050 0.000 0.754 1291 L CB -1.604 40.481 42.059 0.044 0.000 0.893 1291 L HN 0.069 nan 8.230 nan 0.000 0.433 1292 P HA -0.084 nan 4.420 nan 0.000 0.225 1292 P C 1.308 178.545 177.300 -0.105 0.000 1.148 1292 P CA 1.631 64.677 63.100 -0.091 0.000 0.779 1292 P CB -0.272 31.380 31.700 -0.080 0.000 0.780 1293 T N -4.245 110.253 114.554 -0.094 0.000 3.129 1293 T HA 0.076 4.426 4.350 -0.000 0.000 0.251 1293 T C 1.785 176.386 174.700 -0.165 0.000 1.117 1293 T CA -0.132 61.918 62.100 -0.083 0.000 1.034 1293 T CB -0.430 68.434 68.868 -0.008 0.000 0.968 1293 T HN -0.018 nan 8.240 nan 0.000 0.526 1294 R N 1.320 121.579 120.500 -0.400 0.000 2.103 1294 R HA -0.136 4.203 4.340 -0.000 0.000 0.242 1294 R C 1.548 177.647 176.300 -0.336 0.000 1.142 1294 R CA 1.827 57.463 56.100 -0.773 0.000 0.960 1294 R CB -0.213 29.449 30.300 -1.063 0.000 0.858 1294 R HN 0.325 nan 8.270 nan 0.000 0.439 1295 E N -0.160 119.937 120.200 -0.173 0.000 2.516 1295 E HA -0.051 4.299 4.350 -0.000 0.000 0.199 1295 E C 1.203 177.838 176.600 0.058 0.000 1.069 1295 E CA 0.496 56.903 56.400 0.012 0.000 0.876 1295 E CB 0.120 29.837 29.700 0.028 0.000 0.843 1295 E HN 0.299 nan 8.360 nan 0.000 0.530 1296 R N -0.095 120.401 120.500 -0.007 0.000 2.300 1296 R HA 0.308 4.648 4.340 -0.000 0.000 0.199 1296 R C 0.438 176.739 176.300 0.001 0.000 0.920 1296 R CA 0.157 56.253 56.100 -0.007 0.000 1.046 1296 R CB 0.466 30.753 30.300 -0.022 0.000 0.984 1296 R HN -0.000 nan 8.270 nan 0.000 0.493 1297 A N 0.441 123.285 122.820 0.040 0.000 2.351 1297 A HA 0.223 4.542 4.320 -0.000 0.000 0.257 1297 A C 0.995 178.574 177.584 -0.009 0.000 1.087 1297 A CA -0.317 51.736 52.037 0.027 0.000 0.798 1297 A CB 0.819 19.878 19.000 0.099 0.000 1.033 1297 A HN 0.113 nan 8.150 nan 0.000 0.488 1298 S N 0.032 115.587 115.700 -0.240 0.000 2.387 1298 S HA 0.060 4.530 4.470 -0.000 0.000 0.226 1298 S C 0.522 175.002 174.600 -0.199 0.000 1.026 1298 S CA 1.052 58.977 58.200 -0.458 0.000 0.972 1298 S CB -0.319 62.081 63.200 -1.333 0.000 0.814 1298 S HN 0.639 nan 8.310 nan 0.000 0.477 1299 L N 0.719 121.885 121.223 -0.094 0.000 2.455 1299 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 1299 L C -1.975 174.964 176.870 0.115 0.000 0.968 1299 L CA -0.683 54.234 54.840 0.130 0.000 0.827 1299 L CB 1.646 43.857 42.059 0.254 0.000 1.317 1299 L HN 0.025 nan 8.230 nan 0.000 0.407 1300 I N 5.450 126.052 120.570 0.052 0.000 2.362 1300 I HA 0.334 4.503 4.170 -0.000 0.000 0.289 1300 I C -0.666 175.441 176.117 -0.018 0.000 0.994 1300 I CA -0.486 60.825 61.300 0.018 0.000 1.158 1300 I CB 1.781 39.698 38.000 -0.140 0.000 1.315 1300 I HN 0.452 nan 8.210 nan 0.000 0.451 1301 L N 6.381 127.619 121.223 0.024 0.000 2.283 1301 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 1301 L C -0.321 176.559 176.870 0.017 0.000 1.033 1301 L CA -0.172 54.643 54.840 -0.041 0.000 0.848 1301 L CB 1.203 43.252 42.059 -0.017 0.000 1.226 1301 L HN 0.619 nan 8.230 nan 0.000 0.429 1302 T N 3.695 118.241 114.554 -0.012 0.000 2.728 1302 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 1302 T C 0.104 174.834 174.700 0.050 0.000 0.940 1302 T CA -0.412 61.708 62.100 0.035 0.000 1.013 1302 T CB 1.046 69.921 68.868 0.012 0.000 0.912 1302 T HN 0.388 nan 8.240 nan 0.000 0.484 1303 K N 1.769 122.241 120.400 0.120 0.000 2.095 1303 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 1303 K C 0.340 177.046 176.600 0.177 0.000 0.977 1303 K CA -0.561 55.831 56.287 0.177 0.000 0.900 1303 K CB 1.578 34.269 32.500 0.318 0.000 1.060 1303 K HN 0.535 nan 8.250 nan 0.000 0.449 1304 S N 0.119 115.925 115.700 0.176 0.000 2.874 1304 S HA 0.628 5.098 4.470 -0.000 0.000 0.318 1304 S C -1.052 173.665 174.600 0.195 0.000 1.109 1304 S CA -0.547 57.732 58.200 0.131 0.000 0.878 1304 S CB 0.930 64.176 63.200 0.076 0.000 1.307 1304 S HN 0.670 nan 8.310 nan 0.000 0.592 1305 A N 1.699 124.591 122.820 0.119 0.000 2.586 1305 A HA 0.239 4.559 4.320 -0.000 0.000 0.231 1305 A C 0.684 178.356 177.584 0.147 0.000 1.055 1305 A CA 0.630 52.747 52.037 0.134 0.000 0.756 1305 A CB -0.778 18.261 19.000 0.065 0.000 0.988 1305 A HN 1.025 nan 8.150 nan 0.000 0.509 1306 N N 0.962 119.756 118.700 0.157 0.000 2.708 1306 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 1306 N C 0.084 175.636 175.510 0.069 0.000 1.123 1306 N CA 1.438 54.543 53.050 0.091 0.000 0.739 1306 N CB -1.430 37.103 38.487 0.078 0.000 1.113 1306 N HN 0.975 nan 8.380 nan 0.000 0.561 1307 H N -3.947 115.109 119.070 -0.023 0.000 3.211 1307 H HA -0.186 4.370 4.556 -0.000 0.000 0.240 1307 H C 0.767 176.087 175.328 -0.013 0.000 1.148 1307 H CA 1.255 57.186 56.048 -0.196 0.000 1.160 1307 H CB -1.680 27.820 29.762 -0.437 0.000 1.232 1307 H HN 0.592 nan 8.280 nan 0.000 0.321 1308 A N 1.397 124.289 122.820 0.121 0.000 2.488 1308 A HA 0.419 4.739 4.320 -0.000 0.000 0.249 1308 A C 0.875 178.508 177.584 0.081 0.000 1.083 1308 A CA 0.016 52.111 52.037 0.096 0.000 0.768 1308 A CB 0.532 19.578 19.000 0.078 0.000 1.017 1308 A HN 0.132 nan 8.150 nan 0.000 0.496 1309 V N 3.249 123.187 119.914 0.040 0.000 2.555 1309 V HA 0.104 4.224 4.120 -0.000 0.000 0.286 1309 V C 1.228 177.318 176.094 -0.007 0.000 1.044 1309 V CA 0.977 63.267 62.300 -0.016 0.000 1.026 1309 V CB 0.747 32.484 31.823 -0.143 0.000 0.981 1309 V HN 1.133 nan 8.190 nan 0.000 0.480 1310 E N 2.958 123.159 120.200 0.000 0.000 2.514 1310 E HA 0.289 4.639 4.350 -0.000 0.000 0.215 1310 E C 0.420 177.027 176.600 0.011 0.000 0.946 1310 E CA -0.234 56.176 56.400 0.018 0.000 1.038 1310 E CB 1.039 30.757 29.700 0.030 0.000 1.069 1310 E HN 0.704 nan 8.360 nan 0.000 0.503 1311 E N 0.490 120.673 120.200 -0.028 0.000 2.372 1311 E HA 0.409 4.759 4.350 -0.000 0.000 0.279 1311 E C -1.886 174.647 176.600 -0.111 0.000 0.946 1311 E CA -0.907 55.479 56.400 -0.024 0.000 0.769 1311 E CB 2.606 32.303 29.700 -0.005 0.000 1.230 1311 E HN 0.012 nan 8.360 nan 0.000 0.442 1312 V N 3.685 123.549 119.914 -0.083 0.000 2.525 1312 V HA 0.538 4.658 4.120 -0.000 0.000 0.299 1312 V C -0.546 175.605 176.094 0.095 0.000 1.034 1312 V CA -0.722 61.451 62.300 -0.212 0.000 0.863 1312 V CB 1.756 33.080 31.823 -0.833 0.000 0.999 1312 V HN 0.610 nan 8.190 nan 0.000 0.423 1313 R N 3.533 124.063 120.500 0.050 0.000 2.437 1313 R HA 0.725 5.065 4.340 -0.000 0.000 0.310 1313 R C -1.503 174.997 176.300 0.333 0.000 0.955 1313 R CA -0.811 55.385 56.100 0.159 0.000 0.851 1313 R CB 2.290 32.504 30.300 -0.144 0.000 1.161 1313 R HN 0.540 nan 8.270 nan 0.000 0.446 1314 L N 2.605 124.140 121.223 0.519 0.000 2.362 1314 L HA 0.458 4.797 4.340 -0.000 0.000 0.275 1314 L C -0.418 176.677 176.870 0.375 0.000 0.998 1314 L CA -0.665 54.467 54.840 0.487 0.000 0.820 1314 L CB 1.437 43.814 42.059 0.531 0.000 1.270 1314 L HN 0.400 nan 8.230 nan 0.000 0.415 1315 R N 3.759 124.337 120.500 0.130 0.000 2.538 1315 R HA 0.100 4.440 4.340 -0.000 0.000 0.282 1315 R C -0.043 176.271 176.300 0.023 0.000 1.009 1315 R CA 0.179 56.172 56.100 -0.178 0.000 1.063 1315 R CB 0.111 30.256 30.300 -0.257 0.000 0.945 1315 R HN 0.686 nan 8.270 nan 0.000 0.414 1316 K N 0.000 120.386 120.400 -0.024 0.000 2.780 1316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1316 K CA 0.000 56.312 56.287 0.042 0.000 0.838 1316 K CB 0.000 32.508 32.500 0.013 0.000 1.064 1316 K HN 0.000 nan 8.250 nan 0.000 0.543