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 1z1j_1_B DATA FIRST_RESID 1001 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSAGSVGF DATA SEQUENCE NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC DATA SEQUENCE SGVTFQ 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1001 S C 0.000 174.627 174.600 0.045 0.000 1.055 1001 S CA 0.000 58.218 58.200 0.029 0.000 1.107 1001 S CB 0.000 63.210 63.200 0.016 0.000 0.593 1002 G N 0.681 109.511 108.800 0.051 0.000 2.705 1002 G HA2 0.688 4.649 3.960 0.002 0.000 0.299 1002 G HA3 0.688 4.649 3.960 0.002 0.000 0.299 1002 G C -1.581 173.401 174.900 0.137 0.000 1.315 1002 G CA -0.724 44.423 45.100 0.078 0.000 1.045 1002 G HN 0.321 nan 8.290 nan 0.000 0.517 1003 F N 1.054 120.996 119.950 -0.013 0.000 2.771 1003 F HA 0.527 5.055 4.527 0.002 0.000 0.365 1003 F C 0.293 176.116 175.800 0.038 0.000 1.169 1003 F CA -0.958 57.025 58.000 -0.029 0.000 1.093 1003 F CB 0.989 39.930 39.000 -0.098 0.000 1.363 1003 F HN 0.153 nan 8.300 nan 0.000 0.496 1004 R N 2.221 122.556 120.500 -0.274 0.000 2.700 1004 R HA 0.361 4.702 4.340 0.002 0.000 0.253 1004 R C -0.636 175.607 176.300 -0.095 0.000 1.091 1004 R CA -1.290 54.753 56.100 -0.094 0.000 1.104 1004 R CB 1.196 31.450 30.300 -0.077 0.000 1.202 1004 R HN 0.349 nan 8.270 nan 0.000 0.532 1005 K N 1.595 122.043 120.400 0.079 0.000 2.262 1005 K HA 0.146 4.468 4.320 0.002 0.000 0.288 1005 K C -0.204 176.345 176.600 -0.085 0.000 1.090 1005 K CA 0.196 56.531 56.287 0.080 0.000 0.918 1005 K CB 0.061 32.527 32.500 -0.057 0.000 1.139 1005 K HN 0.399 nan 8.250 nan 0.000 0.462 1006 M N 3.054 122.577 119.600 -0.128 0.000 2.288 1006 M HA 0.498 4.980 4.480 0.002 0.000 0.334 1006 M C -0.713 175.424 176.300 -0.272 0.000 1.150 1006 M CA 0.015 55.190 55.300 -0.208 0.000 1.118 1006 M CB 1.358 33.800 32.600 -0.264 0.000 1.501 1006 M HN 0.725 nan 8.290 nan 0.000 0.462 1007 A N 2.439 125.103 122.820 -0.260 0.000 2.423 1007 A HA 0.776 5.097 4.320 0.002 0.000 0.304 1007 A C -1.447 175.965 177.584 -0.287 0.000 1.104 1007 A CA -0.684 51.191 52.037 -0.270 0.000 0.757 1007 A CB 0.757 19.678 19.000 -0.132 0.000 1.313 1007 A HN 0.682 nan 8.150 nan 0.000 0.423 1008 F N 0.863 120.721 119.950 -0.154 0.000 2.418 1008 F HA 0.429 4.957 4.527 0.002 0.000 0.341 1008 F C -1.795 174.007 175.800 0.002 0.000 1.120 1008 F CA -1.475 56.456 58.000 -0.116 0.000 1.232 1008 F CB 0.456 39.319 39.000 -0.228 0.000 1.175 1008 F HN 0.268 nan 8.300 nan 0.000 0.569 1009 P HA 0.022 nan 4.420 nan 0.000 0.264 1009 P C -0.321 177.091 177.300 0.187 0.000 1.193 1009 P CA 0.140 63.327 63.100 0.144 0.000 0.763 1009 P CB 0.456 32.217 31.700 0.102 0.000 0.810 1010 S N 1.189 116.988 115.700 0.166 0.000 2.519 1010 S HA 0.251 4.722 4.470 0.002 0.000 0.245 1010 S C 1.475 176.076 174.600 0.002 0.000 1.152 1010 S CA -0.065 58.216 58.200 0.135 0.000 1.175 1010 S CB -0.405 62.910 63.200 0.192 0.000 0.829 1010 S HN 0.475 nan 8.310 nan 0.000 0.472 1011 G N 2.494 111.281 108.800 -0.022 0.000 2.437 1011 G HA2 0.004 3.965 3.960 0.002 0.000 0.212 1011 G HA3 0.004 3.965 3.960 0.002 0.000 0.212 1011 G C 1.282 176.133 174.900 -0.082 0.000 1.174 1011 G CA -0.259 44.819 45.100 -0.036 0.000 0.811 1011 G HN 0.559 nan 8.290 nan 0.000 0.537 1012 K N 0.243 120.567 120.400 -0.126 0.000 2.574 1012 K HA 0.146 4.467 4.320 0.002 0.000 0.193 1012 K C 1.599 178.083 176.600 -0.193 0.000 1.035 1012 K CA 0.175 56.371 56.287 -0.152 0.000 0.982 1012 K CB 0.406 32.802 32.500 -0.174 0.000 0.795 1012 K HN 0.268 nan 8.250 nan 0.000 0.491 1013 V N 0.024 119.790 119.914 -0.248 0.000 3.219 1013 V HA -0.044 4.077 4.120 0.002 0.000 0.240 1013 V C 1.754 177.780 176.094 -0.114 0.000 1.222 1013 V CA 0.514 62.672 62.300 -0.236 0.000 1.181 1013 V CB 0.279 31.734 31.823 -0.613 0.000 0.941 1013 V HN 0.170 nan 8.190 nan 0.000 0.471 1014 E N 1.219 121.368 120.200 -0.084 0.000 2.058 1014 E HA -0.188 4.163 4.350 0.002 0.000 0.194 1014 E C 2.040 178.627 176.600 -0.022 0.000 0.997 1014 E CA 1.449 57.833 56.400 -0.027 0.000 0.801 1014 E CB -0.408 29.289 29.700 -0.006 0.000 0.746 1014 E HN 0.589 nan 8.360 nan 0.000 0.450 1015 G N -0.557 108.217 108.800 -0.044 0.000 2.843 1015 G HA2 -0.182 3.780 3.960 0.002 0.000 0.205 1015 G HA3 -0.182 3.780 3.960 0.002 0.000 0.205 1015 G C 0.966 175.819 174.900 -0.078 0.000 1.160 1015 G CA 0.285 45.353 45.100 -0.054 0.000 0.819 1015 G HN 0.277 nan 8.290 nan 0.000 0.516 1016 C N -0.509 118.762 119.300 -0.048 0.000 3.270 1016 C HA 0.402 4.864 4.460 0.002 0.000 0.369 1016 C C 0.732 175.761 174.990 0.065 0.000 1.326 1016 C CA -0.572 58.425 59.018 -0.036 0.000 1.846 1016 C CB -0.205 27.479 27.740 -0.094 0.000 2.534 1016 C HN 0.297 nan 8.230 nan 0.000 0.649 1017 M N 2.467 122.089 119.600 0.037 0.000 2.219 1017 M HA 0.374 4.855 4.480 0.002 0.000 0.353 1017 M C 0.007 176.363 176.300 0.093 0.000 1.304 1017 M CA 0.559 55.886 55.300 0.045 0.000 1.115 1017 M CB -0.162 32.450 32.600 0.020 0.000 1.664 1017 M HN 0.253 nan 8.290 nan 0.000 0.459 1018 V N 1.197 121.153 119.914 0.071 0.000 3.156 1018 V HA 0.683 4.805 4.120 0.002 0.000 0.310 1018 V C -0.886 175.205 176.094 -0.005 0.000 1.234 1018 V CA -1.105 61.222 62.300 0.045 0.000 1.065 1018 V CB 1.999 33.826 31.823 0.007 0.000 1.088 1018 V HN 0.845 nan 8.190 nan 0.000 0.451 1019 Q N 0.140 119.926 119.800 -0.024 0.000 2.245 1019 Q HA 0.749 5.090 4.340 0.002 0.000 0.256 1019 Q C -1.727 174.244 176.000 -0.048 0.000 0.942 1019 Q CA -0.697 55.093 55.803 -0.022 0.000 0.896 1019 Q CB 2.172 30.909 28.738 -0.002 0.000 1.272 1019 Q HN 0.763 nan 8.270 nan 0.000 0.442 1020 V N 3.866 123.759 119.914 -0.035 0.000 2.383 1020 V HA 0.218 4.340 4.120 0.002 0.000 0.264 1020 V C -0.601 175.500 176.094 0.013 0.000 1.001 1020 V CA -0.586 61.697 62.300 -0.029 0.000 0.828 1020 V CB 1.258 33.046 31.823 -0.058 0.000 1.069 1020 V HN 0.879 nan 8.190 nan 0.000 0.451 1021 T N 2.034 116.600 114.554 0.019 0.000 2.913 1021 T HA 0.336 4.687 4.350 0.002 0.000 0.297 1021 T C -0.129 174.592 174.700 0.035 0.000 1.029 1021 T CA -0.148 61.965 62.100 0.021 0.000 1.104 1021 T CB 1.229 70.103 68.868 0.010 0.000 0.964 1021 T HN 0.688 nan 8.240 nan 0.000 0.532 1022 C N 3.129 122.428 119.300 -0.002 0.000 3.027 1022 C HA 0.642 5.103 4.460 0.002 0.000 0.350 1022 C C 0.991 175.933 174.990 -0.081 0.000 1.042 1022 C CA 0.614 59.587 59.018 -0.075 0.000 1.350 1022 C CB -1.183 26.510 27.740 -0.079 0.000 1.809 1022 C HN 1.303 nan 8.230 nan 0.000 0.513 1023 G N 5.218 113.970 108.800 -0.080 0.000 2.588 1023 G HA2 -0.285 3.676 3.960 0.002 0.000 0.273 1023 G HA3 -0.285 3.676 3.960 0.002 0.000 0.273 1023 G C 0.869 175.754 174.900 -0.026 0.000 1.211 1023 G CA 1.158 46.224 45.100 -0.057 0.000 0.958 1023 G HN 1.424 nan 8.290 nan 0.000 0.543 1024 T N -0.515 114.032 114.554 -0.012 0.000 3.034 1024 T HA 0.367 4.719 4.350 0.002 0.000 0.248 1024 T C 1.640 176.350 174.700 0.015 0.000 1.040 1024 T CA 1.727 63.830 62.100 0.004 0.000 1.107 1024 T CB -0.383 68.491 68.868 0.010 0.000 0.932 1024 T HN 1.839 nan 8.240 nan 0.000 0.474 1025 T N 2.019 116.582 114.554 0.015 0.000 2.903 1025 T HA 0.406 4.757 4.350 0.002 0.000 0.314 1025 T C -0.478 174.234 174.700 0.020 0.000 1.078 1025 T CA -0.057 62.059 62.100 0.027 0.000 1.114 1025 T CB 0.414 69.298 68.868 0.026 0.000 0.987 1025 T HN 0.255 nan 8.240 nan 0.000 0.548 1026 T N 3.158 117.730 114.554 0.030 0.000 3.105 1026 T HA 0.578 4.929 4.350 0.002 0.000 0.321 1026 T C -0.568 174.147 174.700 0.026 0.000 1.135 1026 T CA -0.746 61.370 62.100 0.026 0.000 1.053 1026 T CB 1.028 69.920 68.868 0.039 0.000 1.133 1026 T HN 0.682 nan 8.240 nan 0.000 0.463 1027 L N 1.814 123.037 121.223 -0.001 0.000 2.161 1027 L HA 0.704 5.045 4.340 0.002 0.000 0.248 1027 L C -0.419 176.437 176.870 -0.023 0.000 1.088 1027 L CA -1.398 53.431 54.840 -0.020 0.000 0.987 1027 L CB 1.302 43.316 42.059 -0.075 0.000 1.563 1027 L HN 0.482 nan 8.230 nan 0.000 0.472 1028 N N -0.130 118.543 118.700 -0.045 0.000 2.284 1028 N HA 0.540 5.281 4.740 0.002 0.000 0.300 1028 N C -0.796 174.675 175.510 -0.064 0.000 1.047 1028 N CA -0.287 52.735 53.050 -0.046 0.000 0.821 1028 N CB 2.528 40.981 38.487 -0.057 0.000 1.337 1028 N HN 0.723 nan 8.380 nan 0.000 0.482 1029 G N 0.179 108.945 108.800 -0.058 0.000 2.568 1029 G HA2 0.586 4.547 3.960 0.002 0.000 0.313 1029 G HA3 0.586 4.547 3.960 0.002 0.000 0.313 1029 G C -1.303 173.572 174.900 -0.041 0.000 1.227 1029 G CA -0.387 44.675 45.100 -0.064 0.000 0.979 1029 G HN 0.357 nan 8.290 nan 0.000 0.486 1030 L N 0.365 121.576 121.223 -0.019 0.000 2.287 1030 L HA 0.684 5.025 4.340 0.002 0.000 0.287 1030 L C -1.532 175.422 176.870 0.140 0.000 1.022 1030 L CA -1.147 53.667 54.840 -0.042 0.000 0.814 1030 L CB 1.325 43.245 42.059 -0.231 0.000 1.217 1030 L HN 0.541 nan 8.230 nan 0.000 0.420 1031 W N 8.024 129.253 121.300 -0.119 0.000 2.299 1031 W HA 0.594 5.255 4.660 0.002 0.000 0.319 1031 W C -1.931 174.527 176.519 -0.103 0.000 1.008 1031 W CA -1.390 55.902 57.345 -0.088 0.000 1.384 1031 W CB 0.676 30.086 29.460 -0.083 0.000 1.220 1031 W HN 0.369 nan 8.180 nan 0.000 0.402 1032 L N 7.417 128.727 121.223 0.145 0.000 2.362 1032 L HA 0.303 4.644 4.340 0.002 0.000 0.275 1032 L C 0.884 177.777 176.870 0.039 0.000 0.998 1032 L CA -0.815 53.963 54.840 -0.103 0.000 0.820 1032 L CB 1.745 43.641 42.059 -0.272 0.000 1.270 1032 L HN 0.418 nan 8.230 nan 0.000 0.415 1033 D N 1.695 122.066 120.400 -0.049 0.000 3.750 1033 D HA -0.333 4.308 4.640 0.002 0.000 0.149 1033 D C 0.614 177.010 176.300 0.160 0.000 0.867 1033 D CA 2.482 56.503 54.000 0.035 0.000 1.010 1033 D CB -0.178 40.686 40.800 0.106 0.000 0.462 1033 D HN 0.983 nan 8.370 nan 0.000 0.436 1034 D N 0.096 120.594 120.400 0.164 0.000 2.216 1034 D HA 0.011 4.652 4.640 0.002 0.000 0.208 1034 D C 0.553 176.930 176.300 0.128 0.000 0.960 1034 D CA 0.940 55.048 54.000 0.181 0.000 0.861 1034 D CB -0.575 40.270 40.800 0.076 0.000 0.985 1034 D HN 0.289 nan 8.370 nan 0.000 0.493 1035 T N 0.217 114.809 114.554 0.063 0.000 2.906 1035 T HA 0.381 4.732 4.350 0.002 0.000 0.320 1035 T C 0.078 174.709 174.700 -0.116 0.000 1.088 1035 T CA -0.294 61.741 62.100 -0.107 0.000 1.120 1035 T CB 1.501 70.272 68.868 -0.162 0.000 1.000 1035 T HN -0.022 nan 8.240 nan 0.000 0.550 1036 V N 2.282 121.972 119.914 -0.373 0.000 2.569 1036 V HA 0.378 4.499 4.120 0.002 0.000 0.301 1036 V C -1.230 174.592 176.094 -0.453 0.000 1.044 1036 V CA -1.099 61.023 62.300 -0.297 0.000 0.874 1036 V CB 1.043 32.669 31.823 -0.328 0.000 1.002 1036 V HN 0.802 nan 8.190 nan 0.000 0.424 1037 Y N 3.214 123.435 120.300 -0.131 0.000 2.387 1037 Y HA 0.783 5.334 4.550 0.002 0.000 0.330 1037 Y C 0.523 176.315 175.900 -0.180 0.000 1.133 1037 Y CA -0.422 57.581 58.100 -0.163 0.000 1.152 1037 Y CB 1.895 40.234 38.460 -0.201 0.000 1.215 1037 Y HN 0.972 nan 8.280 nan 0.000 0.466 1038 C N 0.649 119.933 119.300 -0.026 0.000 3.253 1038 C HA 0.498 4.959 4.460 0.002 0.000 0.342 1038 C C -3.208 171.742 174.990 -0.066 0.000 1.306 1038 C CA -2.338 56.632 59.018 -0.080 0.000 1.207 1038 C CB 1.315 28.986 27.740 -0.116 0.000 1.479 1038 C HN 0.540 nan 8.230 nan 0.000 0.469 1039 P HA 0.247 nan 4.420 nan 0.000 0.270 1039 P C 0.961 178.122 177.300 -0.232 0.000 1.242 1039 P CA 0.308 63.382 63.100 -0.042 0.000 0.768 1039 P CB 0.456 32.085 31.700 -0.118 0.000 0.820 1040 R N 4.346 124.743 120.500 -0.172 0.000 2.134 1040 R HA -0.239 4.102 4.340 0.002 0.000 0.248 1040 R C 1.619 177.689 176.300 -0.382 0.000 1.143 1040 R CA 1.754 57.678 56.100 -0.294 0.000 0.957 1040 R CB -0.589 29.463 30.300 -0.413 0.000 0.867 1040 R HN 0.683 nan 8.270 nan 0.000 0.441 1041 H N -0.137 118.708 119.070 -0.375 0.000 2.602 1041 H HA -0.036 4.521 4.556 0.002 0.000 0.285 1041 H C 1.316 176.615 175.328 -0.048 0.000 1.093 1041 H CA 0.656 56.584 56.048 -0.200 0.000 1.201 1041 H CB -0.451 29.292 29.762 -0.030 0.000 1.294 1041 H HN 0.142 nan 8.280 nan 0.000 0.633 1042 V N 1.447 121.201 119.914 -0.267 0.000 3.541 1042 V HA -0.022 4.099 4.120 0.002 0.000 0.267 1042 V C 1.850 177.928 176.094 -0.026 0.000 1.213 1042 V CA 0.462 62.670 62.300 -0.152 0.000 1.149 1042 V CB -0.558 31.200 31.823 -0.108 0.000 0.822 1042 V HN 0.603 nan 8.190 nan 0.000 0.462 1043 I N -2.515 118.053 120.570 -0.004 0.000 3.883 1043 I HA 0.290 4.461 4.170 0.002 0.000 0.326 1043 I C 0.498 176.637 176.117 0.037 0.000 1.283 1043 I CA -0.310 60.990 61.300 0.000 0.000 1.161 1043 I CB -0.674 37.339 38.000 0.020 0.000 1.012 1043 I HN 0.139 nan 8.210 nan 0.000 0.421 1044 C N 1.568 120.920 119.300 0.087 0.000 2.388 1044 C HA 0.574 5.035 4.460 0.002 0.000 0.362 1044 C C 0.654 175.689 174.990 0.076 0.000 1.266 1044 C CA -0.034 59.053 59.018 0.116 0.000 2.028 1044 C CB 0.766 28.630 27.740 0.208 0.000 2.440 1044 C HN 0.369 nan 8.230 nan 0.000 0.547 1045 T N 2.560 117.147 114.554 0.054 0.000 2.815 1045 T HA 0.625 4.976 4.350 0.002 0.000 0.289 1045 T C 0.506 175.229 174.700 0.038 0.000 1.000 1045 T CA 1.026 63.149 62.100 0.038 0.000 0.958 1045 T CB 1.272 70.150 68.868 0.017 0.000 0.944 1045 T HN 1.466 nan 8.240 nan 0.000 0.442 1046 A N 4.217 127.062 122.820 0.042 0.000 5.327 1046 A HA -0.197 4.125 4.320 0.002 0.000 0.280 1046 A C 0.861 178.467 177.584 0.036 0.000 2.126 1046 A CA 0.932 52.990 52.037 0.035 0.000 0.716 1046 A CB -1.480 17.534 19.000 0.023 0.000 1.154 1046 A HN 0.747 nan 8.150 nan 0.000 0.349 1047 E N 1.251 121.465 120.200 0.023 0.000 2.382 1047 E HA 0.225 4.577 4.350 0.002 0.000 0.190 1047 E C 0.467 177.074 176.600 0.011 0.000 1.125 1047 E CA 0.538 56.947 56.400 0.015 0.000 0.929 1047 E CB -0.216 29.488 29.700 0.006 0.000 1.053 1047 E HN 0.521 nan 8.360 nan 0.000 0.475 1048 D N 0.279 120.695 120.400 0.027 0.000 2.178 1048 D HA -0.130 4.511 4.640 0.002 0.000 0.202 1048 D C 1.081 177.391 176.300 0.017 0.000 0.974 1048 D CA 1.019 55.036 54.000 0.028 0.000 0.841 1048 D CB 0.037 40.876 40.800 0.064 0.000 0.953 1048 D HN 0.221 nan 8.370 nan 0.000 0.478 1049 M N -0.155 119.473 119.600 0.047 0.000 2.686 1049 M HA 0.032 4.513 4.480 0.002 0.000 0.246 1049 M C 1.593 177.874 176.300 -0.031 0.000 1.096 1049 M CA 0.355 55.675 55.300 0.033 0.000 1.076 1049 M CB -0.032 32.599 32.600 0.051 0.000 1.504 1049 M HN 0.000 nan 8.290 nan 0.000 0.524 1050 L N -0.288 120.916 121.223 -0.033 0.000 2.168 1050 L HA 0.125 4.466 4.340 0.002 0.000 0.203 1050 L C -0.110 176.714 176.870 -0.075 0.000 1.078 1050 L CA 1.351 56.165 54.840 -0.043 0.000 0.780 1050 L CB 0.102 42.145 42.059 -0.025 0.000 0.939 1050 L HN 0.159 nan 8.230 nan 0.000 0.451 1051 N N 1.175 119.824 118.700 -0.085 0.000 2.851 1051 N HA 0.319 5.060 4.740 0.002 0.000 0.248 1051 N C -2.641 172.759 175.510 -0.183 0.000 1.221 1051 N CA -1.192 51.790 53.050 -0.113 0.000 0.847 1051 N CB 0.820 39.263 38.487 -0.074 0.000 1.150 1051 N HN 0.158 nan 8.380 nan 0.000 0.507 1052 P HA 0.244 nan 4.420 nan 0.000 0.294 1052 P C -0.256 176.674 177.300 -0.617 0.000 1.389 1052 P CA -0.329 62.358 63.100 -0.688 0.000 0.875 1052 P CB 1.411 32.432 31.700 -1.132 0.000 1.018 1053 N N 3.180 121.666 118.700 -0.357 0.000 2.356 1053 N HA -0.054 4.687 4.740 0.002 0.000 0.178 1053 N C 1.067 176.552 175.510 -0.041 0.000 1.075 1053 N CA -0.176 52.772 53.050 -0.170 0.000 0.889 1053 N CB -0.153 38.287 38.487 -0.078 0.000 0.999 1053 N HN 0.361 nan 8.380 nan 0.000 0.464 1054 Y N 0.857 121.156 120.300 -0.002 0.000 2.662 1054 Y HA -0.493 4.058 4.550 0.002 0.000 0.485 1054 Y C 1.782 177.684 175.900 0.003 0.000 0.993 1054 Y CA 2.080 60.184 58.100 0.006 0.000 3.171 1054 Y CB -1.197 37.269 38.460 0.011 0.000 0.961 1054 Y HN 0.158 nan 8.280 nan 0.000 0.582 1055 E N -0.315 119.998 120.200 0.188 0.000 2.253 1055 E HA -0.308 4.043 4.350 0.002 0.000 0.202 1055 E C 1.595 178.228 176.600 0.055 0.000 1.014 1055 E CA 1.526 57.982 56.400 0.093 0.000 0.823 1055 E CB -0.261 29.477 29.700 0.064 0.000 0.736 1055 E HN 0.586 nan 8.360 nan 0.000 0.478 1056 D N 0.173 120.603 120.400 0.051 0.000 2.379 1056 D HA -0.075 4.566 4.640 0.002 0.000 0.218 1056 D C 1.837 178.154 176.300 0.028 0.000 1.006 1056 D CA 0.007 54.020 54.000 0.023 0.000 0.893 1056 D CB 0.188 40.992 40.800 0.007 0.000 1.019 1056 D HN 0.093 nan 8.370 nan 0.000 0.503 1057 L N 1.726 122.987 121.223 0.063 0.000 2.549 1057 L HA 0.056 4.397 4.340 0.002 0.000 0.229 1057 L C 2.037 178.944 176.870 0.062 0.000 1.158 1057 L CA 0.829 55.711 54.840 0.070 0.000 0.842 1057 L CB -0.603 41.532 42.059 0.126 0.000 0.952 1057 L HN 0.257 nan 8.230 nan 0.000 0.452 1058 L N -3.469 117.789 121.223 0.058 0.000 2.408 1058 L HA 0.121 4.463 4.340 0.002 0.000 0.215 1058 L C 2.195 179.054 176.870 -0.018 0.000 1.081 1058 L CA 0.563 55.425 54.840 0.037 0.000 0.840 1058 L CB -0.243 41.853 42.059 0.060 0.000 1.002 1058 L HN 0.063 nan 8.230 nan 0.000 0.468 1059 I N 0.873 121.424 120.570 -0.032 0.000 2.113 1059 I HA -0.342 3.829 4.170 0.002 0.000 0.242 1059 I C 2.815 178.889 176.117 -0.071 0.000 1.064 1059 I CA 1.826 63.084 61.300 -0.070 0.000 1.320 1059 I CB -0.424 37.549 38.000 -0.045 0.000 1.028 1059 I HN 0.306 nan 8.210 nan 0.000 0.406 1060 R N 0.660 121.132 120.500 -0.046 0.000 2.096 1060 R HA -0.089 4.252 4.340 0.002 0.000 0.235 1060 R C 0.600 176.865 176.300 -0.058 0.000 1.127 1060 R CA 0.806 56.878 56.100 -0.046 0.000 0.968 1060 R CB -0.083 30.195 30.300 -0.037 0.000 0.861 1060 R HN 0.151 nan 8.270 nan 0.000 0.440 1061 K N 0.615 120.973 120.400 -0.069 0.000 2.414 1061 K HA 0.086 4.408 4.320 0.002 0.000 0.272 1061 K C -0.288 176.277 176.600 -0.059 0.000 0.993 1061 K CA 0.438 56.658 56.287 -0.112 0.000 0.964 1061 K CB 1.220 33.614 32.500 -0.177 0.000 0.925 1061 K HN -0.083 nan 8.250 nan 0.000 0.487 1062 S N 1.226 116.893 115.700 -0.054 0.000 2.677 1062 S HA 0.256 4.728 4.470 0.002 0.000 0.304 1062 S C 0.735 175.464 174.600 0.216 0.000 1.108 1062 S CA -0.905 57.358 58.200 0.104 0.000 0.944 1062 S CB 1.368 64.617 63.200 0.081 0.000 1.127 1062 S HN 0.581 nan 8.310 nan 0.000 0.511 1063 N N 1.468 120.402 118.700 0.390 0.000 2.023 1063 N HA -0.196 4.545 4.740 0.002 0.000 0.200 1063 N C 1.353 177.074 175.510 0.351 0.000 1.048 1063 N CA 2.030 55.348 53.050 0.447 0.000 0.872 1063 N CB -0.810 37.814 38.487 0.227 0.000 1.070 1063 N HN 0.621 nan 8.380 nan 0.000 0.441 1064 H N -0.406 118.729 119.070 0.108 0.000 2.368 1064 H HA -0.093 4.464 4.556 0.002 0.000 0.292 1064 H C 1.097 176.421 175.328 -0.006 0.000 1.117 1064 H CA 1.631 57.705 56.048 0.043 0.000 1.231 1064 H CB -0.561 29.206 29.762 0.008 0.000 1.359 1064 H HN 0.098 nan 8.280 nan 0.000 0.490 1065 S N 0.098 115.804 115.700 0.010 0.000 3.544 1065 S HA 0.122 4.593 4.470 0.002 0.000 0.227 1065 S C -1.092 173.228 174.600 -0.467 0.000 1.387 1065 S CA -0.144 57.930 58.200 -0.211 0.000 1.182 1065 S CB -1.079 61.941 63.200 -0.302 0.000 1.243 1065 S HN 0.223 nan 8.310 nan 0.000 0.467 1066 F N 0.961 120.899 119.950 -0.020 0.000 3.051 1066 F HA 0.340 4.868 4.527 0.002 0.000 0.363 1066 F C -0.321 175.429 175.800 -0.084 0.000 1.257 1066 F CA -0.686 57.279 58.000 -0.058 0.000 1.126 1066 F CB 1.200 40.158 39.000 -0.069 0.000 1.476 1066 F HN 0.021 nan 8.300 nan 0.000 0.576 1067 L N 4.653 125.933 121.223 0.095 0.000 2.598 1067 L HA 0.356 4.697 4.340 0.002 0.000 0.241 1067 L C -0.379 176.475 176.870 -0.027 0.000 1.244 1067 L CA -0.512 54.336 54.840 0.013 0.000 1.198 1067 L CB 0.079 42.138 42.059 -0.000 0.000 1.448 1067 L HN 0.250 nan 8.230 nan 0.000 0.406 1068 V N 2.176 122.046 119.914 -0.072 0.000 2.540 1068 V HA -0.007 4.114 4.120 0.002 0.000 0.297 1068 V C 0.221 176.217 176.094 -0.163 0.000 1.024 1068 V CA 0.191 62.398 62.300 -0.156 0.000 1.105 1068 V CB 0.612 32.275 31.823 -0.267 0.000 0.938 1068 V HN 0.633 nan 8.190 nan 0.000 0.482 1069 Q N 3.009 122.726 119.800 -0.139 0.000 2.347 1069 Q HA 0.696 5.038 4.340 0.002 0.000 0.271 1069 Q C -0.229 175.723 176.000 -0.081 0.000 1.064 1069 Q CA -0.646 55.096 55.803 -0.101 0.000 0.800 1069 Q CB 2.310 31.020 28.738 -0.046 0.000 1.304 1069 Q HN 0.782 nan 8.270 nan 0.000 0.438 1070 A N 1.288 124.079 122.820 -0.049 0.000 2.827 1070 A HA 0.566 4.887 4.320 0.002 0.000 0.300 1070 A C 1.005 178.628 177.584 0.066 0.000 1.237 1070 A CA 0.273 52.340 52.037 0.050 0.000 0.964 1070 A CB -0.610 18.483 19.000 0.154 0.000 1.143 1070 A HN 1.072 nan 8.150 nan 0.000 0.554 1071 G N 0.424 109.246 108.800 0.037 0.000 2.157 1071 G HA2 -0.286 3.675 3.960 0.002 0.000 0.248 1071 G HA3 -0.286 3.675 3.960 0.002 0.000 0.248 1071 G C 0.278 175.196 174.900 0.029 0.000 0.979 1071 G CA 0.837 45.961 45.100 0.038 0.000 0.650 1071 G HN 1.519 nan 8.290 nan 0.000 0.529 1072 N N -3.224 115.488 118.700 0.020 0.000 2.541 1072 N HA -0.070 4.671 4.740 0.002 0.000 0.298 1072 N C 0.170 175.682 175.510 0.003 0.000 0.851 1072 N CA 0.304 53.362 53.050 0.014 0.000 1.535 1072 N CB 0.021 38.521 38.487 0.022 0.000 2.005 1072 N HN 0.849 nan 8.380 nan 0.000 1.477 1073 V N 2.181 122.101 119.914 0.010 0.000 2.814 1073 V HA 0.133 4.255 4.120 0.002 0.000 0.307 1073 V C 0.536 176.605 176.094 -0.042 0.000 1.089 1073 V CA 0.553 62.851 62.300 -0.003 0.000 1.212 1073 V CB 0.399 32.237 31.823 0.025 0.000 0.912 1073 V HN 0.640 nan 8.190 nan 0.000 0.497 1074 Q N 4.767 124.533 119.800 -0.057 0.000 2.241 1074 Q HA 0.495 4.836 4.340 0.002 0.000 0.254 1074 Q C -1.125 174.795 176.000 -0.133 0.000 0.917 1074 Q CA -0.251 55.497 55.803 -0.092 0.000 0.919 1074 Q CB 1.345 30.040 28.738 -0.072 0.000 1.237 1074 Q HN 0.677 nan 8.270 nan 0.000 0.434 1075 L N 4.935 126.032 121.223 -0.209 0.000 2.262 1075 L HA 0.486 4.827 4.340 0.002 0.000 0.288 1075 L C 0.051 176.791 176.870 -0.217 0.000 1.035 1075 L CA -0.684 53.995 54.840 -0.268 0.000 0.820 1075 L CB 0.879 42.633 42.059 -0.508 0.000 1.204 1075 L HN 0.654 nan 8.230 nan 0.000 0.424 1076 R N 2.216 122.619 120.500 -0.161 0.000 2.513 1076 R HA 0.052 4.393 4.340 0.002 0.000 0.333 1076 R C -0.090 176.110 176.300 -0.167 0.000 0.925 1076 R CA -0.090 55.920 56.100 -0.149 0.000 1.072 1076 R CB 0.508 30.742 30.300 -0.109 0.000 0.914 1076 R HN 0.362 nan 8.270 nan 0.000 0.408 1077 V N 5.864 125.674 119.914 -0.174 0.000 2.904 1077 V HA 0.506 4.627 4.120 0.002 0.000 0.305 1077 V C 0.167 176.171 176.094 -0.150 0.000 1.067 1077 V CA -0.387 61.804 62.300 -0.181 0.000 1.044 1077 V CB 0.950 32.672 31.823 -0.168 0.000 1.050 1077 V HN 0.762 nan 8.190 nan 0.000 0.475 1078 I N 3.311 123.777 120.570 -0.173 0.000 2.605 1078 I HA 0.528 4.699 4.170 0.002 0.000 0.252 1078 I C -0.222 175.763 176.117 -0.219 0.000 1.500 1078 I CA -0.102 61.099 61.300 -0.165 0.000 0.967 1078 I CB 0.609 38.536 38.000 -0.121 0.000 1.465 1078 I HN 0.807 nan 8.210 nan 0.000 0.495 1079 G N 2.970 111.593 108.800 -0.295 0.000 4.003 1079 G HA2 0.101 4.062 3.960 0.002 0.000 0.234 1079 G HA3 0.101 4.062 3.960 0.002 0.000 0.234 1079 G C -0.091 174.635 174.900 -0.290 0.000 3.841 1079 G CA -0.648 44.261 45.100 -0.318 0.000 0.584 1079 G HN 0.847 nan 8.290 nan 0.000 0.240 1080 H N 0.147 119.158 119.070 -0.098 0.000 4.635 1080 H HA 0.348 4.905 4.556 0.002 0.000 0.197 1080 H C 0.932 176.225 175.328 -0.059 0.000 1.041 1080 H CA -0.338 55.664 56.048 -0.076 0.000 1.280 1080 H CB -0.955 28.860 29.762 0.088 0.000 1.415 1080 H HN 0.273 nan 8.280 nan 0.000 0.875 1081 S N 0.573 116.294 115.700 0.034 0.000 2.409 1081 S HA 0.204 4.675 4.470 0.002 0.000 0.308 1081 S C 0.256 174.851 174.600 -0.008 0.000 1.080 1081 S CA -1.015 57.207 58.200 0.037 0.000 1.081 1081 S CB 0.576 63.761 63.200 -0.025 0.000 1.009 1081 S HN 0.592 nan 8.310 nan 0.000 0.502 1082 M N 3.685 123.297 119.600 0.020 0.000 2.217 1082 M HA 0.221 4.702 4.480 0.002 0.000 0.354 1082 M C -0.432 175.872 176.300 0.007 0.000 1.225 1082 M CA 0.202 55.501 55.300 -0.002 0.000 1.137 1082 M CB 0.705 33.311 32.600 0.010 0.000 1.576 1082 M HN 0.695 nan 8.290 nan 0.000 0.461 1083 Q N 4.983 124.786 119.800 0.005 0.000 2.290 1083 Q HA 0.299 4.640 4.340 0.002 0.000 0.269 1083 Q C -0.482 175.537 176.000 0.031 0.000 1.016 1083 Q CA -0.214 55.605 55.803 0.027 0.000 0.754 1083 Q CB 1.262 30.026 28.738 0.044 0.000 1.247 1083 Q HN 1.076 nan 8.270 nan 0.000 0.451 1084 N N 1.437 120.159 118.700 0.037 0.000 1.129 1084 N HA -0.286 4.456 4.740 0.002 0.000 0.117 1084 N C 0.471 176.011 175.510 0.049 0.000 0.722 1084 N CA 1.946 55.024 53.050 0.048 0.000 0.850 1084 N CB -0.944 37.572 38.487 0.048 0.000 1.124 1084 N HN 0.769 nan 8.380 nan 0.000 0.607 1085 C N 0.971 120.316 119.300 0.076 0.000 2.551 1085 C HA 0.328 4.789 4.460 0.002 0.000 0.284 1085 C C 0.440 175.443 174.990 0.021 0.000 1.329 1085 C CA -0.230 58.829 59.018 0.069 0.000 1.683 1085 C CB -1.598 26.264 27.740 0.204 0.000 1.730 1085 C HN 0.199 nan 8.230 nan 0.000 0.591 1086 L N -0.939 120.296 121.223 0.020 0.000 2.283 1086 L HA 0.622 4.963 4.340 0.002 0.000 0.259 1086 L C -0.091 176.758 176.870 -0.035 0.000 1.027 1086 L CA -0.485 54.361 54.840 0.010 0.000 0.828 1086 L CB 0.480 42.567 42.059 0.046 0.000 1.380 1086 L HN -0.072 nan 8.230 nan 0.000 0.425 1087 L N 0.365 121.545 121.223 -0.073 0.000 2.331 1087 L HA 0.611 4.952 4.340 0.002 0.000 0.268 1087 L C 0.170 176.932 176.870 -0.181 0.000 1.015 1087 L CA -0.722 54.039 54.840 -0.131 0.000 0.807 1087 L CB 1.403 43.345 42.059 -0.196 0.000 1.293 1087 L HN 0.537 nan 8.230 nan 0.000 0.451 1088 R N 1.589 121.946 120.500 -0.237 0.000 2.648 1088 R HA 0.243 4.584 4.340 0.002 0.000 0.341 1088 R C -1.053 175.047 176.300 -0.333 0.000 1.154 1088 R CA -0.316 55.584 56.100 -0.333 0.000 1.228 1088 R CB 0.341 30.512 30.300 -0.215 0.000 1.311 1088 R HN 0.441 nan 8.270 nan 0.000 0.659 1089 L N -0.037 120.954 121.223 -0.386 0.000 2.536 1089 L HA 0.313 4.654 4.340 0.002 0.000 0.282 1089 L C -0.047 176.617 176.870 -0.345 0.000 1.174 1089 L CA -0.273 54.326 54.840 -0.401 0.000 0.989 1089 L CB -0.398 41.308 42.059 -0.589 0.000 1.311 1089 L HN -0.148 nan 8.230 nan 0.000 0.455 1090 K N 2.463 122.701 120.400 -0.270 0.000 2.440 1090 K HA 0.313 4.634 4.320 0.002 0.000 0.270 1090 K C 0.255 176.733 176.600 -0.202 0.000 0.980 1090 K CA -0.141 56.022 56.287 -0.207 0.000 0.953 1090 K CB 1.138 33.550 32.500 -0.147 0.000 0.925 1090 K HN 0.632 nan 8.250 nan 0.000 0.497 1091 V N -1.737 118.077 119.914 -0.166 0.000 3.166 1091 V HA 0.199 4.320 4.120 0.002 0.000 0.317 1091 V C 0.714 176.758 176.094 -0.083 0.000 1.136 1091 V CA -0.539 61.658 62.300 -0.171 0.000 1.035 1091 V CB 1.598 33.257 31.823 -0.274 0.000 1.110 1091 V HN 0.903 nan 8.190 nan 0.000 0.450 1092 D N 1.386 121.741 120.400 -0.075 0.000 2.077 1092 D HA -0.060 4.582 4.640 0.002 0.000 0.193 1092 D C 0.916 177.231 176.300 0.025 0.000 0.989 1092 D CA 1.768 55.751 54.000 -0.029 0.000 0.831 1092 D CB -0.847 39.932 40.800 -0.034 0.000 0.979 1092 D HN 0.918 nan 8.370 nan 0.000 0.449 1093 T N -1.193 113.404 114.554 0.071 0.000 2.875 1093 T HA 0.514 4.865 4.350 0.002 0.000 0.284 1093 T C 0.268 175.120 174.700 0.255 0.000 0.995 1093 T CA -0.714 61.468 62.100 0.136 0.000 1.060 1093 T CB 1.498 70.455 68.868 0.148 0.000 0.967 1093 T HN 0.307 nan 8.240 nan 0.000 0.476 1094 S N 2.261 118.064 115.700 0.172 0.000 2.565 1094 S HA 0.169 4.640 4.470 0.002 0.000 0.276 1094 S C 0.190 174.796 174.600 0.012 0.000 1.326 1094 S CA -1.002 57.290 58.200 0.154 0.000 1.045 1094 S CB -0.020 63.215 63.200 0.057 0.000 0.918 1094 S HN 0.870 nan 8.310 nan 0.000 0.505 1095 N N 4.017 122.524 118.700 -0.322 0.000 2.417 1095 N HA 0.030 4.771 4.740 0.002 0.000 0.272 1095 N C -1.117 174.090 175.510 -0.504 0.000 1.304 1095 N CA -1.419 51.009 53.050 -1.036 0.000 0.906 1095 N CB 0.664 38.145 38.487 -1.676 0.000 1.135 1095 N HN 0.527 nan 8.380 nan 0.000 0.483 1096 P HA -0.155 nan 4.420 nan 0.000 0.220 1096 P C 0.321 177.500 177.300 -0.202 0.000 1.148 1096 P CA 1.197 64.178 63.100 -0.197 0.000 0.803 1096 P CB 0.242 31.866 31.700 -0.126 0.000 0.782 1097 K N -0.405 119.823 120.400 -0.286 0.000 2.486 1097 K HA 0.071 4.392 4.320 0.002 0.000 0.194 1097 K C 0.668 177.146 176.600 -0.204 0.000 1.033 1097 K CA 0.247 56.403 56.287 -0.219 0.000 1.004 1097 K CB -1.183 31.181 32.500 -0.225 0.000 0.798 1097 K HN 0.137 nan 8.250 nan 0.000 0.495 1098 T N 4.863 119.267 114.554 -0.249 0.000 2.819 1098 T HA -0.020 4.331 4.350 0.002 0.000 0.282 1098 T C -1.814 172.858 174.700 -0.046 0.000 1.013 1098 T CA -0.341 61.661 62.100 -0.163 0.000 1.159 1098 T CB 0.374 69.175 68.868 -0.111 0.000 1.007 1098 T HN 0.213 nan 8.240 nan 0.000 0.514 1099 P HA 0.376 nan 4.420 nan 0.000 0.301 1099 P C -0.789 176.613 177.300 0.169 0.000 1.309 1099 P CA -0.940 62.186 63.100 0.043 0.000 0.782 1099 P CB 1.035 32.730 31.700 -0.009 0.000 1.282 1100 K N 0.504 120.959 120.400 0.092 0.000 2.276 1100 K HA 0.276 4.597 4.320 0.002 0.000 0.285 1100 K C -0.856 175.800 176.600 0.095 0.000 1.062 1100 K CA -0.354 55.968 56.287 0.058 0.000 0.918 1100 K CB -0.194 32.301 32.500 -0.007 0.000 1.055 1100 K HN 0.486 nan 8.250 nan 0.000 0.477 1101 Y N 0.840 121.102 120.300 -0.064 0.000 2.609 1101 Y HA 0.574 5.125 4.550 0.002 0.000 0.342 1101 Y C -1.107 174.745 175.900 -0.079 0.000 1.058 1101 Y CA -1.282 56.779 58.100 -0.066 0.000 1.055 1101 Y CB 1.366 39.871 38.460 0.074 0.000 1.292 1101 Y HN 0.278 nan 8.280 nan 0.000 0.476 1102 K N 0.640 121.096 120.400 0.093 0.000 2.378 1102 K HA 0.503 4.824 4.320 0.002 0.000 0.244 1102 K C -1.500 175.367 176.600 0.445 0.000 1.039 1102 K CA -0.977 55.349 56.287 0.065 0.000 0.863 1102 K CB 1.778 34.302 32.500 0.039 0.000 1.326 1102 K HN 0.628 nan 8.250 nan 0.000 0.460 1103 F N 1.134 121.154 119.950 0.116 0.000 2.814 1103 F HA 0.085 4.613 4.527 0.002 0.000 0.326 1103 F C 0.381 176.220 175.800 0.066 0.000 1.159 1103 F CA -1.088 56.983 58.000 0.118 0.000 1.234 1103 F CB -0.049 39.001 39.000 0.083 0.000 1.016 1103 F HN 0.240 nan 8.300 nan 0.000 0.510 1104 V N 0.666 120.714 119.914 0.224 0.000 3.552 1104 V HA 0.060 4.181 4.120 0.002 0.000 0.296 1104 V C 0.418 176.589 176.094 0.127 0.000 1.193 1104 V CA -0.412 61.972 62.300 0.141 0.000 1.314 1104 V CB 0.481 32.367 31.823 0.105 0.000 1.053 1104 V HN 0.484 nan 8.190 nan 0.000 0.507 1105 R N 2.177 122.751 120.500 0.125 0.000 2.513 1105 R HA 0.671 5.012 4.340 0.002 0.000 0.301 1105 R C -0.498 175.930 176.300 0.214 0.000 0.968 1105 R CA -0.902 55.300 56.100 0.170 0.000 0.872 1105 R CB 1.401 31.772 30.300 0.118 0.000 1.177 1105 R HN 0.938 nan 8.270 nan 0.000 0.444 1106 I N 0.250 120.977 120.570 0.261 0.000 2.823 1106 I HA 0.305 4.476 4.170 0.002 0.000 0.290 1106 I C -0.125 176.128 176.117 0.226 0.000 1.091 1106 I CA -0.139 61.275 61.300 0.190 0.000 1.365 1106 I CB 0.728 38.792 38.000 0.107 0.000 1.427 1106 I HN 0.469 nan 8.210 nan 0.000 0.583 1107 Q N 2.797 122.698 119.800 0.169 0.000 2.306 1107 Q HA 0.568 4.910 4.340 0.002 0.000 0.269 1107 Q C -2.434 173.644 176.000 0.131 0.000 1.053 1107 Q CA -1.895 54.016 55.803 0.179 0.000 0.879 1107 Q CB 1.239 30.069 28.738 0.154 0.000 1.344 1107 Q HN 0.474 nan 8.270 nan 0.000 0.464 1108 P HA 0.029 nan 4.420 nan 0.000 0.265 1108 P C 0.472 177.802 177.300 0.051 0.000 1.187 1108 P CA 1.301 64.435 63.100 0.056 0.000 0.766 1108 P CB 0.340 32.053 31.700 0.021 0.000 0.820 1109 G N 0.850 109.660 108.800 0.017 0.000 2.284 1109 G HA2 -0.285 3.676 3.960 0.002 0.000 0.247 1109 G HA3 -0.285 3.676 3.960 0.002 0.000 0.247 1109 G C 0.434 175.354 174.900 0.035 0.000 1.012 1109 G CA 0.344 45.457 45.100 0.021 0.000 0.618 1109 G HN 0.680 nan 8.290 nan 0.000 0.521 1110 Q N 1.788 121.625 119.800 0.062 0.000 2.454 1110 Q HA 0.579 4.920 4.340 0.002 0.000 0.247 1110 Q C 0.821 176.872 176.000 0.085 0.000 1.028 1110 Q CA 0.919 56.780 55.803 0.097 0.000 0.910 1110 Q CB 0.631 29.446 28.738 0.128 0.000 1.276 1110 Q HN 0.787 nan 8.270 nan 0.000 0.489 1111 T N -0.246 114.371 114.554 0.105 0.000 2.926 1111 T HA 0.842 5.193 4.350 0.002 0.000 0.289 1111 T C -0.788 174.005 174.700 0.154 0.000 1.054 1111 T CA -0.606 61.496 62.100 0.003 0.000 1.015 1111 T CB 0.950 69.774 68.868 -0.072 0.000 1.167 1111 T HN 0.695 nan 8.240 nan 0.000 0.526 1112 F N -2.154 117.762 119.950 -0.057 0.000 2.770 1112 F HA 0.742 5.270 4.527 0.002 0.000 0.313 1112 F C -1.184 174.510 175.800 -0.177 0.000 1.154 1112 F CA -1.244 56.711 58.000 -0.076 0.000 0.923 1112 F CB 0.699 39.640 39.000 -0.097 0.000 1.301 1112 F HN 0.636 nan 8.300 nan 0.000 0.449 1113 S N 0.718 116.366 115.700 -0.086 0.000 2.617 1113 S HA 0.828 5.299 4.470 0.002 0.000 0.283 1113 S C -0.949 173.512 174.600 -0.231 0.000 1.189 1113 S CA -0.756 57.257 58.200 -0.312 0.000 1.036 1113 S CB 1.887 64.830 63.200 -0.429 0.000 1.014 1113 S HN 0.600 nan 8.310 nan 0.000 0.522 1114 V N 2.578 122.300 119.914 -0.320 0.000 2.531 1114 V HA 0.383 4.504 4.120 0.002 0.000 0.301 1114 V C -0.939 174.996 176.094 -0.264 0.000 1.034 1114 V CA -0.686 61.450 62.300 -0.273 0.000 0.865 1114 V CB 1.581 33.011 31.823 -0.656 0.000 0.995 1114 V HN 0.695 nan 8.190 nan 0.000 0.424 1115 L N 5.456 126.706 121.223 0.044 0.000 2.407 1115 L HA 0.705 5.046 4.340 0.002 0.000 0.261 1115 L C 0.741 177.621 176.870 0.016 0.000 1.108 1115 L CA -0.322 54.556 54.840 0.063 0.000 0.995 1115 L CB 0.323 42.490 42.059 0.180 0.000 1.349 1115 L HN 0.759 nan 8.230 nan 0.000 0.423 1116 A N 3.935 126.721 122.820 -0.057 0.000 2.522 1116 A HA 0.403 4.724 4.320 0.002 0.000 0.256 1116 A C 0.094 177.675 177.584 -0.005 0.000 1.086 1116 A CA 0.002 52.040 52.037 0.003 0.000 0.763 1116 A CB -0.541 18.488 19.000 0.048 0.000 1.024 1116 A HN 0.771 nan 8.150 nan 0.000 0.502 1117 C N 1.164 120.361 119.300 -0.171 0.000 2.848 1117 C HA 0.860 5.321 4.460 0.002 0.000 0.317 1117 C C -0.919 173.739 174.990 -0.554 0.000 1.260 1117 C CA -0.609 58.316 59.018 -0.156 0.000 1.656 1117 C CB 1.068 28.773 27.740 -0.059 0.000 2.174 1117 C HN 0.795 nan 8.230 nan 0.000 0.479 1118 Y N 0.272 120.624 120.300 0.087 0.000 2.441 1118 Y HA 0.325 4.876 4.550 0.002 0.000 0.334 1118 Y C 0.244 176.180 175.900 0.061 0.000 1.061 1118 Y CA -0.616 57.534 58.100 0.084 0.000 1.032 1118 Y CB 0.964 39.474 38.460 0.084 0.000 1.266 1118 Y HN 0.843 nan 8.280 nan 0.000 0.441 1119 N N 1.326 120.119 118.700 0.155 0.000 2.735 1119 N HA -0.191 4.550 4.740 0.002 0.000 0.248 1119 N C 1.001 176.553 175.510 0.070 0.000 1.083 1119 N CA 1.651 54.763 53.050 0.103 0.000 0.703 1119 N CB -1.055 37.501 38.487 0.115 0.000 1.005 1119 N HN 1.266 nan 8.380 nan 0.000 0.550 1120 G N -1.818 107.010 108.800 0.045 0.000 2.189 1120 G HA2 -0.329 3.632 3.960 0.002 0.000 0.267 1120 G HA3 -0.329 3.632 3.960 0.002 0.000 0.267 1120 G C 0.077 175.007 174.900 0.050 0.000 0.975 1120 G CA 0.799 45.919 45.100 0.032 0.000 0.644 1120 G HN 1.402 nan 8.290 nan 0.000 0.537 1121 S N 0.085 115.830 115.700 0.075 0.000 2.433 1121 S HA 0.675 5.146 4.470 0.002 0.000 0.310 1121 S C -2.490 172.172 174.600 0.104 0.000 1.097 1121 S CA -1.753 56.499 58.200 0.086 0.000 1.103 1121 S CB 2.765 66.021 63.200 0.093 0.000 0.992 1121 S HN 0.047 nan 8.310 nan 0.000 0.469 1122 P HA 0.117 nan 4.420 nan 0.000 0.262 1122 P C 0.438 177.811 177.300 0.123 0.000 1.199 1122 P CA 0.146 63.299 63.100 0.088 0.000 0.763 1122 P CB 0.932 32.671 31.700 0.065 0.000 0.790 1123 S N 2.825 118.631 115.700 0.177 0.000 2.384 1123 S HA 0.323 4.795 4.470 0.002 0.000 0.217 1123 S C 0.770 175.453 174.600 0.138 0.000 1.041 1123 S CA 0.989 59.311 58.200 0.202 0.000 0.948 1123 S CB -0.249 63.179 63.200 0.380 0.000 0.872 1123 S HN 0.526 nan 8.310 nan 0.000 0.512 1124 G N -0.077 108.805 108.800 0.138 0.000 2.692 1124 G HA2 0.574 4.535 3.960 0.002 0.000 0.291 1124 G HA3 0.574 4.535 3.960 0.002 0.000 0.291 1124 G C -2.002 172.940 174.900 0.070 0.000 1.423 1124 G CA -0.212 44.950 45.100 0.104 0.000 0.843 1124 G HN 0.509 nan 8.290 nan 0.000 0.486 1125 V N 0.734 120.683 119.914 0.057 0.000 2.769 1125 V HA 0.954 5.075 4.120 0.002 0.000 0.312 1125 V C -1.165 174.948 176.094 0.032 0.000 1.061 1125 V CA -0.703 61.590 62.300 -0.011 0.000 0.931 1125 V CB 1.479 33.326 31.823 0.039 0.000 1.010 1125 V HN 1.335 nan 8.190 nan 0.000 0.433 1126 Y N 2.446 122.688 120.300 -0.097 0.000 2.725 1126 Y HA 0.754 5.305 4.550 0.001 0.000 0.333 1126 Y C -1.056 174.707 175.900 -0.229 0.000 1.242 1126 Y CA -1.304 56.696 58.100 -0.166 0.000 1.059 1126 Y CB 1.432 39.773 38.460 -0.198 0.000 1.306 1126 Y HN 0.611 nan 8.280 nan 0.000 0.454 1127 Q N 1.404 121.232 119.800 0.047 0.000 2.340 1127 Q HA 0.752 5.094 4.340 0.002 0.000 0.268 1127 Q C -1.362 174.499 176.000 -0.232 0.000 1.031 1127 Q CA -0.430 55.265 55.803 -0.180 0.000 0.804 1127 Q CB 1.831 30.409 28.738 -0.267 0.000 1.286 1127 Q HN 1.074 nan 8.270 nan 0.000 0.448 1128 C N 1.092 120.128 119.300 -0.440 0.000 3.086 1128 C HA 1.025 5.486 4.460 0.002 0.000 0.311 1128 C C -0.804 173.779 174.990 -0.678 0.000 1.260 1128 C CA -0.750 57.983 59.018 -0.475 0.000 1.426 1128 C CB 0.900 28.431 27.740 -0.348 0.000 1.826 1128 C HN 0.960 nan 8.230 nan 0.000 0.474 1129 A N 3.122 125.669 122.820 -0.456 0.000 2.317 1129 A HA 0.716 5.037 4.320 0.002 0.000 0.327 1129 A C -0.081 177.368 177.584 -0.225 0.000 1.178 1129 A CA -0.458 51.372 52.037 -0.345 0.000 0.817 1129 A CB 0.797 19.659 19.000 -0.229 0.000 1.189 1129 A HN 1.534 nan 8.150 nan 0.000 0.489 1130 M N 3.834 123.373 119.600 -0.102 0.000 2.734 1130 M HA 0.058 4.539 4.480 0.002 0.000 0.356 1130 M C 0.358 176.629 176.300 -0.049 0.000 1.790 1130 M CA -0.069 55.221 55.300 -0.016 0.000 1.231 1130 M CB -0.717 31.895 32.600 0.020 0.000 2.102 1130 M HN 0.579 nan 8.290 nan 0.000 0.463 1131 R N 5.880 126.352 120.500 -0.048 0.000 2.734 1131 R HA 0.136 4.477 4.340 0.002 0.000 0.266 1131 R C -1.707 174.533 176.300 -0.100 0.000 1.044 1131 R CA -1.817 54.247 56.100 -0.060 0.000 1.128 1131 R CB -0.872 29.410 30.300 -0.029 0.000 1.010 1131 R HN 0.415 nan 8.270 nan 0.000 0.461 1132 P HA -0.112 nan 4.420 nan 0.000 0.217 1132 P C 0.442 177.553 177.300 -0.314 0.000 1.150 1132 P CA 1.256 64.216 63.100 -0.232 0.000 0.832 1132 P CB 0.088 31.713 31.700 -0.124 0.000 0.787 1133 N N -1.444 117.206 118.700 -0.084 0.000 2.627 1133 N HA -0.163 4.578 4.740 0.002 0.000 0.196 1133 N C -0.227 175.439 175.510 0.259 0.000 1.268 1133 N CA 0.374 53.468 53.050 0.073 0.000 0.904 1133 N CB -1.488 37.073 38.487 0.123 0.000 1.016 1133 N HN 0.203 nan 8.380 nan 0.000 0.448 1134 H N -1.260 117.945 119.070 0.226 0.000 2.748 1134 H HA -0.139 4.418 4.556 0.002 0.000 0.322 1134 H C -0.444 175.108 175.328 0.374 0.000 1.208 1134 H CA 1.262 57.496 56.048 0.310 0.000 1.151 1134 H CB -2.243 27.752 29.762 0.389 0.000 1.505 1134 H HN 0.726 nan 8.280 nan 0.000 0.429 1135 T N -2.570 112.146 114.554 0.270 0.000 2.816 1135 T HA 0.661 5.012 4.350 0.002 0.000 0.299 1135 T C -0.198 174.569 174.700 0.112 0.000 1.230 1135 T CA -1.046 61.163 62.100 0.181 0.000 1.007 1135 T CB 2.362 71.296 68.868 0.110 0.000 1.289 1135 T HN 0.022 nan 8.240 nan 0.000 0.508 1136 I N 2.089 122.734 120.570 0.125 0.000 2.405 1136 I HA 0.295 4.466 4.170 0.002 0.000 0.280 1136 I C 0.245 176.452 176.117 0.148 0.000 1.027 1136 I CA -0.773 60.564 61.300 0.060 0.000 1.161 1136 I CB 1.462 39.438 38.000 -0.040 0.000 1.300 1136 I HN 0.689 nan 8.210 nan 0.000 0.463 1137 K N 4.949 125.382 120.400 0.056 0.000 2.402 1137 K HA 0.654 4.975 4.320 0.002 0.000 0.285 1137 K C 0.267 176.873 176.600 0.011 0.000 1.054 1137 K CA -0.245 56.079 56.287 0.061 0.000 1.001 1137 K CB 0.532 33.016 32.500 -0.027 0.000 0.946 1137 K HN 0.672 nan 8.250 nan 0.000 0.473 1138 G N 1.522 110.391 108.800 0.115 0.000 2.677 1138 G HA2 0.415 4.376 3.960 0.002 0.000 0.283 1138 G HA3 0.415 4.376 3.960 0.002 0.000 0.283 1138 G C -1.535 173.283 174.900 -0.136 0.000 1.221 1138 G CA -0.873 44.125 45.100 -0.170 0.000 0.851 1138 G HN 0.612 nan 8.290 nan 0.000 0.504 1139 S N -0.776 114.580 115.700 -0.573 0.000 2.594 1139 S HA 0.798 5.269 4.470 0.002 0.000 0.296 1139 S C -1.529 172.689 174.600 -0.636 0.000 1.124 1139 S CA -0.638 57.336 58.200 -0.376 0.000 1.011 1139 S CB 1.303 64.294 63.200 -0.347 0.000 1.016 1139 S HN 0.618 nan 8.310 nan 0.000 0.485 1140 F N 1.881 121.916 119.950 0.142 0.000 3.152 1140 F HA 0.357 4.885 4.527 0.002 0.000 0.367 1140 F C -0.087 175.905 175.800 0.319 0.000 1.272 1140 F CA -0.850 57.248 58.000 0.165 0.000 1.172 1140 F CB 0.805 39.733 39.000 -0.121 0.000 1.552 1140 F HN 0.421 nan 8.300 nan 0.000 0.616 1141 L N 1.448 122.979 121.223 0.513 0.000 2.475 1141 L HA 0.207 4.549 4.340 0.002 0.000 0.212 1141 L C 1.083 178.236 176.870 0.471 0.000 1.204 1141 L CA -0.428 54.626 54.840 0.357 0.000 0.843 1141 L CB 0.256 42.395 42.059 0.133 0.000 1.360 1141 L HN 0.614 nan 8.230 nan 0.000 0.527 1142 N N -0.052 118.843 118.700 0.325 0.000 2.416 1142 N HA -0.032 4.709 4.740 0.002 0.000 0.246 1142 N C 0.652 176.419 175.510 0.427 0.000 1.260 1142 N CA 0.905 54.142 53.050 0.310 0.000 0.897 1142 N CB 0.628 39.233 38.487 0.197 0.000 1.110 1142 N HN 0.784 nan 8.380 nan 0.000 0.439 1143 G N 0.580 109.571 108.800 0.319 0.000 2.160 1143 G HA2 -0.283 3.679 3.960 0.002 0.000 0.251 1143 G HA3 -0.283 3.679 3.960 0.002 0.000 0.251 1143 G C 0.688 175.676 174.900 0.147 0.000 1.008 1143 G CA 0.710 45.978 45.100 0.280 0.000 0.724 1143 G HN 0.740 nan 8.290 nan 0.000 0.514 1144 S N -1.158 114.636 115.700 0.157 0.000 2.517 1144 S HA 0.656 5.127 4.470 0.002 0.000 0.214 1144 S C 1.545 176.198 174.600 0.088 0.000 0.991 1144 S CA 1.241 59.425 58.200 -0.026 0.000 0.906 1144 S CB 0.393 63.767 63.200 0.291 0.000 0.789 1144 S HN 1.925 nan 8.310 nan 0.000 0.513 1145 A N 1.025 123.914 122.820 0.115 0.000 2.547 1145 A HA 0.473 4.794 4.320 0.002 0.000 0.233 1145 A C 1.621 179.189 177.584 -0.027 0.000 1.067 1145 A CA 0.495 52.554 52.037 0.037 0.000 0.763 1145 A CB -1.093 18.004 19.000 0.161 0.000 1.007 1145 A HN 1.602 nan 8.150 nan 0.000 0.506 1146 G N 0.646 109.391 108.800 -0.092 0.000 2.225 1146 G HA2 -0.237 3.725 3.960 0.002 0.000 0.254 1146 G HA3 -0.237 3.725 3.960 0.002 0.000 0.254 1146 G C 0.727 175.564 174.900 -0.105 0.000 0.988 1146 G CA 0.589 45.618 45.100 -0.118 0.000 0.625 1146 G HN 1.280 nan 8.290 nan 0.000 0.527 1147 S N -0.885 114.786 115.700 -0.049 0.000 2.572 1147 S HA 0.471 4.942 4.470 0.002 0.000 0.267 1147 S C 0.244 174.866 174.600 0.037 0.000 1.361 1147 S CA 0.595 58.806 58.200 0.019 0.000 1.009 1147 S CB 1.971 65.245 63.200 0.124 0.000 0.888 1147 S HN 1.329 nan 8.310 nan 0.000 0.553 1148 V N 0.330 120.312 119.914 0.113 0.000 2.925 1148 V HA 0.806 4.927 4.120 0.002 0.000 0.311 1148 V C -0.104 176.194 176.094 0.341 0.000 1.104 1148 V CA -0.310 62.086 62.300 0.161 0.000 0.954 1148 V CB 1.967 33.824 31.823 0.057 0.000 1.022 1148 V HN 0.927 nan 8.190 nan 0.000 0.427 1149 G N 4.599 113.594 108.800 0.324 0.000 2.470 1149 G HA2 0.751 4.712 3.960 0.002 0.000 0.320 1149 G HA3 0.751 4.712 3.960 0.002 0.000 0.320 1149 G C -1.232 173.791 174.900 0.205 0.000 1.245 1149 G CA -0.474 44.779 45.100 0.255 0.000 0.935 1149 G HN 1.046 nan 8.290 nan 0.000 0.476 1150 F N 0.303 120.316 119.950 0.104 0.000 2.790 1150 F HA 0.728 5.255 4.527 0.001 0.000 0.337 1150 F C -0.693 175.066 175.800 -0.070 0.000 1.163 1150 F CA -1.600 56.363 58.000 -0.063 0.000 0.997 1150 F CB 1.586 40.445 39.000 -0.235 0.000 1.437 1150 F HN 0.310 nan 8.300 nan 0.000 0.512 1151 N N 0.120 118.695 118.700 -0.208 0.000 2.416 1151 N HA 0.595 5.337 4.740 0.002 0.000 0.276 1151 N C -1.853 173.241 175.510 -0.693 0.000 1.261 1151 N CA -0.453 52.243 53.050 -0.590 0.000 0.790 1151 N CB 2.996 41.363 38.487 -0.200 0.000 1.554 1151 N HN 0.610 nan 8.380 nan 0.000 0.481 1152 I N 0.667 120.473 120.570 -1.274 0.000 2.466 1152 I HA 0.225 4.396 4.170 0.002 0.000 0.289 1152 I C -0.790 175.189 176.117 -0.229 0.000 1.026 1152 I CA -0.574 60.279 61.300 -0.745 0.000 1.078 1152 I CB 1.980 39.317 38.000 -1.105 0.000 1.249 1152 I HN 0.307 nan 8.210 nan 0.000 0.429 1153 D N 6.992 127.383 120.400 -0.014 0.000 2.404 1153 D HA 0.239 4.880 4.640 0.002 0.000 0.267 1153 D C -0.903 175.570 176.300 0.288 0.000 1.194 1153 D CA -0.428 53.706 54.000 0.224 0.000 0.910 1153 D CB 0.271 41.170 40.800 0.165 0.000 1.090 1153 D HN 0.309 nan 8.370 nan 0.000 0.511 1154 Y N 2.130 122.622 120.300 0.321 0.000 2.664 1154 Y HA -0.272 4.279 4.550 0.002 0.000 0.111 1154 Y C 0.798 176.778 175.900 0.134 0.000 1.763 1154 Y CA 1.039 59.286 58.100 0.245 0.000 1.283 1154 Y CB -0.499 38.049 38.460 0.147 0.000 1.919 1154 Y HN 0.508 nan 8.280 nan 0.000 0.282 1155 D N 1.121 121.631 120.400 0.183 0.000 2.697 1155 D HA -0.217 4.425 4.640 0.002 0.000 0.235 1155 D C -0.793 175.536 176.300 0.049 0.000 1.167 1155 D CA 1.543 55.603 54.000 0.100 0.000 0.656 1155 D CB -1.044 39.826 40.800 0.117 0.000 1.025 1155 D HN 0.760 nan 8.370 nan 0.000 0.419 1156 C N 1.227 120.527 119.300 0.001 0.000 3.098 1156 C HA 0.397 4.858 4.460 0.002 0.000 0.391 1156 C C -0.824 174.099 174.990 -0.112 0.000 1.088 1156 C CA -0.756 58.242 59.018 -0.034 0.000 1.294 1156 C CB -0.044 27.695 27.740 -0.002 0.000 1.677 1156 C HN 0.174 nan 8.230 nan 0.000 0.510 1157 V N 6.316 126.126 119.914 -0.172 0.000 2.408 1157 V HA 0.479 4.600 4.120 0.002 0.000 0.267 1157 V C 0.689 176.561 176.094 -0.370 0.000 1.047 1157 V CA 0.258 62.346 62.300 -0.354 0.000 0.937 1157 V CB 1.518 33.002 31.823 -0.565 0.000 0.999 1157 V HN 0.941 nan 8.190 nan 0.000 0.472 1158 S N 5.284 120.811 115.700 -0.289 0.000 2.448 1158 S HA 0.688 5.159 4.470 0.002 0.000 0.320 1158 S C -0.690 173.817 174.600 -0.155 0.000 1.071 1158 S CA -0.618 57.510 58.200 -0.121 0.000 1.113 1158 S CB 0.347 63.533 63.200 -0.023 0.000 0.972 1158 S HN 0.316 nan 8.310 nan 0.000 0.465 1159 F N 1.576 121.634 119.950 0.180 0.000 2.410 1159 F HA 0.420 4.948 4.527 0.002 0.000 0.334 1159 F C 1.575 177.348 175.800 -0.044 0.000 1.134 1159 F CA -0.953 57.073 58.000 0.043 0.000 1.227 1159 F CB 0.937 39.873 39.000 -0.107 0.000 1.194 1159 F HN 0.919 nan 8.300 nan 0.000 0.571 1160 C N 0.619 119.961 119.300 0.070 0.000 4.150 1160 C HA 0.442 4.903 4.460 0.002 0.000 0.330 1160 C C -0.926 174.031 174.990 -0.055 0.000 1.905 1160 C CA -0.657 58.346 59.018 -0.025 0.000 1.724 1160 C CB -1.309 26.393 27.740 -0.062 0.000 3.096 1160 C HN 0.748 nan 8.230 nan 0.000 0.601 1161 Y N 1.183 121.319 120.300 -0.272 0.000 2.521 1161 Y HA 0.662 5.213 4.550 0.002 0.000 0.332 1161 Y C -1.177 174.580 175.900 -0.239 0.000 1.121 1161 Y CA -0.878 57.056 58.100 -0.277 0.000 1.037 1161 Y CB 1.756 39.876 38.460 -0.565 0.000 1.330 1161 Y HN 0.219 nan 8.280 nan 0.000 0.452 1162 M N 6.087 125.145 119.600 -0.903 0.000 2.067 1162 M HA 0.340 4.821 4.480 0.002 0.000 0.286 1162 M C -1.938 173.730 176.300 -1.052 0.000 0.922 1162 M CA -0.416 54.438 55.300 -0.743 0.000 0.937 1162 M CB 0.316 32.501 32.600 -0.691 0.000 1.550 1162 M HN 0.769 nan 8.290 nan 0.000 0.433 1163 H N 2.878 121.561 119.070 -0.645 0.000 2.928 1163 H HA 0.238 4.795 4.556 0.002 0.000 0.338 1163 H C -0.554 174.475 175.328 -0.499 0.000 1.047 1163 H CA 1.643 57.384 56.048 -0.511 0.000 1.435 1163 H CB 0.516 29.967 29.762 -0.517 0.000 1.428 1163 H HN 0.907 nan 8.280 nan 0.000 0.590 1164 H N 2.084 120.614 119.070 -0.900 0.000 5.025 1164 H HA 0.262 4.819 4.556 0.002 0.000 0.095 1164 H C 0.279 175.226 175.328 -0.636 0.000 1.287 1164 H CA -0.605 55.110 56.048 -0.555 0.000 0.619 1164 H CB 0.477 30.031 29.762 -0.345 0.000 1.585 1164 H HN 0.395 nan 8.280 nan 0.000 0.173 1165 M N 0.992 120.477 119.600 -0.191 0.000 2.371 1165 M HA 0.249 4.730 4.480 0.002 0.000 0.301 1165 M C -0.348 175.971 176.300 0.032 0.000 1.173 1165 M CA -0.172 55.071 55.300 -0.095 0.000 1.020 1165 M CB 1.082 33.684 32.600 0.004 0.000 1.490 1165 M HN 0.396 nan 8.290 nan 0.000 0.485 1166 E N 1.423 121.681 120.200 0.096 0.000 2.199 1166 E HA 0.397 4.748 4.350 0.002 0.000 0.265 1166 E C -1.212 175.392 176.600 0.006 0.000 0.882 1166 E CA -0.628 55.842 56.400 0.117 0.000 0.759 1166 E CB 1.428 31.232 29.700 0.173 0.000 1.148 1166 E HN 0.403 nan 8.360 nan 0.000 0.412 1167 L N 5.394 126.587 121.223 -0.050 0.000 2.474 1167 L HA 0.105 4.447 4.340 0.002 0.000 0.259 1167 L C -1.041 175.815 176.870 -0.024 0.000 1.232 1167 L CA -1.075 53.746 54.840 -0.031 0.000 0.821 1167 L CB -0.236 41.801 42.059 -0.037 0.000 1.108 1167 L HN 0.648 nan 8.230 nan 0.000 0.495 1168 P HA -0.128 nan 4.420 nan 0.000 0.219 1168 P C 1.298 178.596 177.300 -0.003 0.000 1.150 1168 P CA 1.118 64.223 63.100 0.008 0.000 0.814 1168 P CB 0.156 31.870 31.700 0.024 0.000 0.787 1169 T N -2.466 112.087 114.554 -0.002 0.000 3.098 1169 T HA 0.165 4.516 4.350 0.002 0.000 0.266 1169 T C 1.452 176.130 174.700 -0.036 0.000 1.145 1169 T CA 1.663 63.759 62.100 -0.006 0.000 1.092 1169 T CB -0.845 68.031 68.868 0.013 0.000 0.908 1169 T HN 0.325 nan 8.240 nan 0.000 0.526 1170 G N 0.185 108.939 108.800 -0.076 0.000 2.397 1170 G HA2 -0.252 3.709 3.960 0.002 0.000 0.211 1170 G HA3 -0.252 3.709 3.960 0.002 0.000 0.211 1170 G C 0.367 175.086 174.900 -0.302 0.000 1.077 1170 G CA 0.111 45.132 45.100 -0.132 0.000 0.649 1170 G HN 1.346 nan 8.290 nan 0.000 0.511 1171 V N 0.319 120.121 119.914 -0.187 0.000 3.237 1171 V HA 0.697 4.818 4.120 0.002 0.000 0.305 1171 V C 0.577 176.529 176.094 -0.238 0.000 1.096 1171 V CA 0.299 62.513 62.300 -0.143 0.000 1.130 1171 V CB 0.683 32.512 31.823 0.010 0.000 1.048 1171 V HN 0.675 nan 8.190 nan 0.000 0.484 1172 H N 0.830 119.985 119.070 0.141 0.000 2.896 1172 H HA 0.987 5.544 4.556 0.002 0.000 0.318 1172 H C -0.054 175.334 175.328 0.100 0.000 1.409 1172 H CA -0.290 55.867 56.048 0.182 0.000 1.328 1172 H CB 1.456 31.487 29.762 0.449 0.000 1.940 1172 H HN 1.158 nan 8.280 nan 0.000 0.665 1173 A N -0.679 122.299 122.820 0.264 0.000 2.604 1173 A HA 0.759 5.080 4.320 0.002 0.000 0.295 1173 A C -0.421 177.212 177.584 0.081 0.000 1.067 1173 A CA 0.025 52.163 52.037 0.169 0.000 0.683 1173 A CB 1.488 20.388 19.000 -0.167 0.000 1.281 1173 A HN 1.045 nan 8.150 nan 0.000 0.407 1174 G N -0.697 108.055 108.800 -0.080 0.000 2.772 1174 G HA2 0.862 4.823 3.960 0.002 0.000 0.284 1174 G HA3 0.862 4.823 3.960 0.002 0.000 0.284 1174 G C -0.409 173.971 174.900 -0.867 0.000 1.217 1174 G CA 0.471 45.133 45.100 -0.729 0.000 0.831 1174 G HN 1.827 nan 8.290 nan 0.000 0.523 1175 T N -1.412 112.567 114.554 -0.959 0.000 2.865 1175 T HA 0.610 4.961 4.350 0.002 0.000 0.294 1175 T C -0.758 173.630 174.700 -0.521 0.000 1.119 1175 T CA -0.224 61.494 62.100 -0.637 0.000 1.007 1175 T CB 2.134 70.722 68.868 -0.466 0.000 1.225 1175 T HN 0.805 nan 8.240 nan 0.000 0.515 1176 D N 0.627 120.733 120.400 -0.490 0.000 2.393 1176 D HA 0.032 4.674 4.640 0.002 0.000 0.246 1176 D C 0.727 176.805 176.300 -0.370 0.000 1.275 1176 D CA -0.803 52.994 54.000 -0.338 0.000 0.979 1176 D CB 0.459 41.050 40.800 -0.349 0.000 1.101 1176 D HN 0.338 nan 8.370 nan 0.000 0.505 1177 L N 0.012 120.979 121.223 -0.427 0.000 2.718 1177 L HA 0.102 4.443 4.340 0.002 0.000 0.242 1177 L C 1.364 177.965 176.870 -0.450 0.000 1.203 1177 L CA 0.799 55.233 54.840 -0.678 0.000 1.011 1177 L CB -1.446 39.785 42.059 -1.381 0.000 1.250 1177 L HN 0.629 nan 8.230 nan 0.000 0.437 1178 E N -0.939 119.129 120.200 -0.222 0.000 2.572 1178 E HA 0.192 4.543 4.350 0.002 0.000 0.220 1178 E C 1.387 177.962 176.600 -0.042 0.000 0.945 1178 E CA 0.636 56.999 56.400 -0.061 0.000 1.070 1178 E CB 0.799 30.486 29.700 -0.022 0.000 1.090 1178 E HN 0.426 nan 8.360 nan 0.000 0.506 1179 G N 1.877 110.621 108.800 -0.093 0.000 2.284 1179 G HA2 -0.260 3.701 3.960 0.002 0.000 0.216 1179 G HA3 -0.260 3.701 3.960 0.002 0.000 0.216 1179 G C 0.082 174.973 174.900 -0.016 0.000 1.009 1179 G CA -0.023 45.061 45.100 -0.027 0.000 0.625 1179 G HN 0.136 nan 8.290 nan 0.000 0.501 1180 K N 1.169 121.526 120.400 -0.072 0.000 2.366 1180 K HA 0.328 4.649 4.320 0.002 0.000 0.279 1180 K C 0.356 176.872 176.600 -0.141 0.000 1.098 1180 K CA -0.324 55.919 56.287 -0.072 0.000 1.087 1180 K CB 0.092 32.515 32.500 -0.129 0.000 0.901 1180 K HN 0.210 nan 8.250 nan 0.000 0.463 1181 F N 2.001 121.884 119.950 -0.112 0.000 2.587 1181 F HA -0.077 4.451 4.527 0.002 0.000 0.327 1181 F C 0.534 176.269 175.800 -0.109 0.000 1.232 1181 F CA 0.649 58.627 58.000 -0.036 0.000 1.353 1181 F CB 0.321 39.369 39.000 0.080 0.000 1.156 1181 F HN 0.355 nan 8.300 nan 0.000 0.599 1182 Y N 1.074 121.564 120.300 0.317 0.000 2.352 1182 Y HA 0.504 5.055 4.550 0.002 0.000 0.339 1182 Y C 0.608 176.743 175.900 0.392 0.000 0.992 1182 Y CA -0.289 57.983 58.100 0.287 0.000 1.100 1182 Y CB 1.118 39.757 38.460 0.298 0.000 1.192 1182 Y HN 0.835 nan 8.280 nan 0.000 0.458 1183 G N 4.582 113.517 108.800 0.226 0.000 2.796 1183 G HA2 -0.188 3.773 3.960 0.002 0.000 0.226 1183 G HA3 -0.188 3.773 3.960 0.002 0.000 0.226 1183 G C -2.319 172.556 174.900 -0.041 0.000 1.381 1183 G CA -0.716 44.338 45.100 -0.077 0.000 0.867 1183 G HN 0.552 nan 8.290 nan 0.000 0.552 1184 P HA 0.317 nan 4.420 nan 0.000 0.243 1184 P C -0.245 176.802 177.300 -0.421 0.000 1.668 1184 P CA 0.049 62.962 63.100 -0.312 0.000 0.898 1184 P CB -0.471 31.046 31.700 -0.306 0.000 1.637 1185 F N 0.726 120.687 119.950 0.018 0.000 2.378 1185 F HA 0.380 4.909 4.527 0.002 0.000 0.325 1185 F C 1.258 176.585 175.800 -0.789 0.000 1.097 1185 F CA -0.672 57.250 58.000 -0.131 0.000 1.079 1185 F CB 1.080 40.216 39.000 0.227 0.000 1.240 1185 F HN -0.146 nan 8.300 nan 0.000 0.519 1186 V N -1.769 117.788 119.914 -0.596 0.000 3.167 1186 V HA 0.629 4.750 4.120 0.002 0.000 0.310 1186 V C -1.547 174.227 176.094 -0.534 0.000 1.207 1186 V CA -1.066 60.729 62.300 -0.843 0.000 1.059 1186 V CB 2.235 33.842 31.823 -0.361 0.000 1.079 1186 V HN 0.734 nan 8.190 nan 0.000 0.446 1187 D N 0.349 120.581 120.400 -0.281 0.000 2.432 1187 D HA 0.550 5.191 4.640 0.002 0.000 0.265 1187 D C -0.042 176.256 176.300 -0.003 0.000 1.160 1187 D CA -0.495 53.481 54.000 -0.039 0.000 0.911 1187 D CB 1.439 42.267 40.800 0.046 0.000 1.052 1187 D HN 0.765 nan 8.370 nan 0.000 0.508 1188 R N 1.004 121.476 120.500 -0.048 0.000 2.892 1188 R HA 0.315 4.656 4.340 0.002 0.000 0.093 1188 R C -0.036 176.238 176.300 -0.042 0.000 0.584 1188 R CA -0.525 55.537 56.100 -0.063 0.000 0.395 1188 R CB 0.111 30.351 30.300 -0.101 0.000 0.346 1188 R HN 0.149 nan 8.270 nan 0.000 0.322 1189 Q N 0.702 120.477 119.800 -0.041 0.000 1.989 1189 Q HA 0.081 4.422 4.340 0.002 0.000 0.215 1189 Q C -0.283 175.706 176.000 -0.018 0.000 0.809 1189 Q CA 0.173 55.963 55.803 -0.021 0.000 1.024 1189 Q CB 0.763 29.489 28.738 -0.020 0.000 1.236 1189 Q HN 0.648 nan 8.270 nan 0.000 0.429 1190 T N -1.558 112.980 114.554 -0.026 0.000 3.309 1190 T HA 0.138 4.489 4.350 0.002 0.000 0.265 1190 T C 0.984 175.683 174.700 -0.001 0.000 1.194 1190 T CA 0.449 62.536 62.100 -0.022 0.000 1.037 1190 T CB -0.734 68.112 68.868 -0.036 0.000 0.917 1190 T HN 0.753 nan 8.240 nan 0.000 0.558 1191 A N 1.339 124.165 122.820 0.010 0.000 2.415 1191 A HA -0.158 4.163 4.320 0.002 0.000 0.292 1191 A C 0.673 178.283 177.584 0.042 0.000 1.452 1191 A CA 0.777 52.828 52.037 0.025 0.000 0.750 1191 A CB -1.808 17.201 19.000 0.016 0.000 1.099 1191 A HN 0.915 nan 8.150 nan 0.000 0.391 1192 Q N -0.305 119.537 119.800 0.070 0.000 2.221 1192 Q HA 0.812 5.154 4.340 0.002 0.000 0.242 1192 Q C -0.054 176.045 176.000 0.165 0.000 0.940 1192 Q CA 0.005 55.873 55.803 0.110 0.000 0.896 1192 Q CB 1.677 30.505 28.738 0.150 0.000 1.226 1192 Q HN 1.673 nan 8.270 nan 0.000 0.463 1193 A N 0.320 123.252 122.820 0.187 0.000 2.479 1193 A HA 0.807 5.128 4.320 0.002 0.000 0.296 1193 A C -1.223 176.552 177.584 0.319 0.000 1.121 1193 A CA -0.375 51.788 52.037 0.210 0.000 0.743 1193 A CB 1.642 20.712 19.000 0.118 0.000 1.323 1193 A HN 0.929 nan 8.150 nan 0.000 0.415 1194 A N 0.229 123.248 122.820 0.332 0.000 2.304 1194 A HA 0.686 5.007 4.320 0.002 0.000 0.301 1194 A C 0.805 178.518 177.584 0.214 0.000 1.132 1194 A CA 0.176 52.459 52.037 0.410 0.000 0.819 1194 A CB 0.197 19.432 19.000 0.392 0.000 1.094 1194 A HN 1.889 nan 8.150 nan 0.000 0.492 1195 G N 0.175 109.086 108.800 0.184 0.000 2.570 1195 G HA2 0.437 4.398 3.960 0.002 0.000 0.276 1195 G HA3 0.437 4.398 3.960 0.002 0.000 0.276 1195 G C 0.481 175.437 174.900 0.094 0.000 1.346 1195 G CA 0.381 45.546 45.100 0.108 0.000 1.034 1195 G HN 1.231 nan 8.290 nan 0.000 0.512 1196 T N -2.001 112.590 114.554 0.063 0.000 2.907 1196 T HA 0.408 4.759 4.350 0.002 0.000 0.298 1196 T C -0.508 174.214 174.700 0.037 0.000 1.017 1196 T CA -0.410 61.717 62.100 0.046 0.000 1.118 1196 T CB 1.677 70.566 68.868 0.034 0.000 0.948 1196 T HN 0.404 nan 8.240 nan 0.000 0.531 1197 D N 0.638 121.051 120.400 0.022 0.000 2.272 1197 D HA 0.619 5.260 4.640 0.002 0.000 0.247 1197 D C -0.140 176.148 176.300 -0.019 0.000 0.990 1197 D CA -0.330 53.668 54.000 -0.004 0.000 0.931 1197 D CB 1.709 42.501 40.800 -0.013 0.000 1.195 1197 D HN 0.875 nan 8.370 nan 0.000 0.477 1198 T N -1.508 113.019 114.554 -0.045 0.000 2.916 1198 T HA 0.557 4.908 4.350 0.002 0.000 0.292 1198 T C -0.209 174.406 174.700 -0.142 0.000 1.064 1198 T CA -0.869 61.193 62.100 -0.063 0.000 1.011 1198 T CB 1.363 70.213 68.868 -0.030 0.000 1.152 1198 T HN 0.190 nan 8.240 nan 0.000 0.510 1199 T N 1.912 116.303 114.554 -0.271 0.000 2.832 1199 T HA 0.264 4.615 4.350 0.002 0.000 0.296 1199 T C 1.397 175.959 174.700 -0.231 0.000 0.968 1199 T CA -0.418 61.438 62.100 -0.407 0.000 1.107 1199 T CB 0.191 68.441 68.868 -1.030 0.000 0.916 1199 T HN 0.507 nan 8.240 nan 0.000 0.517 1200 I N 2.743 123.224 120.570 -0.148 0.000 2.657 1200 I HA -0.159 4.013 4.170 0.002 0.000 0.261 1200 I C 2.098 178.227 176.117 0.020 0.000 1.212 1200 I CA 1.047 62.324 61.300 -0.038 0.000 1.453 1200 I CB -1.369 36.621 38.000 -0.016 0.000 1.092 1200 I HN 0.893 nan 8.210 nan 0.000 0.452 1201 T N -0.144 114.392 114.554 -0.031 0.000 12.566 1201 T HA -0.375 3.976 4.350 0.002 0.000 0.419 1201 T C 1.383 176.188 174.700 0.175 0.000 1.442 1201 T CA 2.042 64.204 62.100 0.103 0.000 2.381 1201 T CB -1.404 67.564 68.868 0.167 0.000 2.842 1201 T HN 0.382 nan 8.240 nan 0.000 0.781 1202 L N 2.432 123.769 121.223 0.190 0.000 2.450 1202 L HA -0.072 4.269 4.340 0.002 0.000 0.225 1202 L C 1.721 178.704 176.870 0.188 0.000 1.145 1202 L CA 2.009 56.978 54.840 0.214 0.000 0.801 1202 L CB -0.376 41.826 42.059 0.238 0.000 0.924 1202 L HN 0.349 nan 8.230 nan 0.000 0.447 1203 N N -1.611 117.184 118.700 0.158 0.000 2.428 1203 N HA 0.008 4.749 4.740 0.002 0.000 0.181 1203 N C 1.784 177.430 175.510 0.226 0.000 1.028 1203 N CA 1.317 54.474 53.050 0.178 0.000 0.877 1203 N CB -0.277 38.273 38.487 0.105 0.000 1.064 1203 N HN 0.196 nan 8.380 nan 0.000 0.434 1204 V N 2.143 122.156 119.914 0.166 0.000 2.490 1204 V HA -0.148 3.973 4.120 0.002 0.000 0.250 1204 V C 2.290 178.565 176.094 0.301 0.000 1.061 1204 V CA 1.172 63.599 62.300 0.211 0.000 1.064 1204 V CB -0.479 31.441 31.823 0.162 0.000 0.670 1204 V HN 0.181 nan 8.190 nan 0.000 0.461 1205 L N 0.130 121.503 121.223 0.250 0.000 1.961 1205 L HA -0.067 4.274 4.340 0.002 0.000 0.209 1205 L C 2.664 179.666 176.870 0.221 0.000 1.075 1205 L CA 1.623 56.587 54.840 0.207 0.000 0.749 1205 L CB -0.933 41.262 42.059 0.226 0.000 0.890 1205 L HN 0.291 nan 8.230 nan 0.000 0.433 1206 A N -1.133 121.848 122.820 0.268 0.000 2.245 1206 A HA -0.260 4.061 4.320 0.002 0.000 0.217 1206 A C 1.922 179.636 177.584 0.216 0.000 1.171 1206 A CA 1.288 53.492 52.037 0.279 0.000 0.688 1206 A CB -0.994 18.133 19.000 0.212 0.000 0.781 1206 A HN 0.708 nan 8.150 nan 0.000 0.479 1207 W N 0.279 121.575 121.300 -0.008 0.000 2.453 1207 W HA -0.008 4.653 4.660 0.001 0.000 0.289 1207 W C 1.578 177.948 176.519 -0.248 0.000 1.215 1207 W CA 1.351 58.591 57.345 -0.174 0.000 1.297 1207 W CB -0.403 29.031 29.460 -0.043 0.000 1.113 1207 W HN 0.252 nan 8.180 nan 0.000 0.551 1208 L N -0.488 120.602 121.223 -0.222 0.000 2.083 1208 L HA -0.264 4.077 4.340 0.002 0.000 0.209 1208 L C 2.316 178.997 176.870 -0.314 0.000 1.083 1208 L CA 1.357 55.927 54.840 -0.451 0.000 0.752 1208 L CB -1.348 40.429 42.059 -0.470 0.000 0.899 1208 L HN -0.072 nan 8.230 nan 0.000 0.433 1209 Y N 0.376 120.547 120.300 -0.216 0.000 2.207 1209 Y HA -0.273 4.278 4.550 0.002 0.000 0.287 1209 Y C 2.560 178.322 175.900 -0.230 0.000 1.156 1209 Y CA 1.435 59.440 58.100 -0.159 0.000 1.182 1209 Y CB -0.340 38.065 38.460 -0.093 0.000 0.979 1209 Y HN 0.146 nan 8.280 nan 0.000 0.521 1210 A N -1.133 121.529 122.820 -0.263 0.000 2.132 1210 A HA 0.218 4.539 4.320 0.002 0.000 0.213 1210 A C 2.272 179.577 177.584 -0.464 0.000 1.154 1210 A CA 0.882 52.648 52.037 -0.453 0.000 0.753 1210 A CB -0.797 17.562 19.000 -1.068 0.000 0.826 1210 A HN 0.351 nan 8.150 nan 0.000 0.469 1211 A N -0.282 122.245 122.820 -0.489 0.000 1.897 1211 A HA 0.061 4.382 4.320 0.002 0.000 0.215 1211 A C 2.147 179.637 177.584 -0.157 0.000 1.181 1211 A CA 1.610 53.427 52.037 -0.367 0.000 0.620 1211 A CB -0.817 17.955 19.000 -0.380 0.000 0.821 1211 A HN 0.290 nan 8.150 nan 0.000 0.443 1212 V N 0.637 120.486 119.914 -0.109 0.000 2.233 1212 V HA -0.301 3.820 4.120 0.002 0.000 0.247 1212 V C 2.429 178.482 176.094 -0.068 0.000 1.050 1212 V CA 2.191 64.445 62.300 -0.076 0.000 1.010 1212 V CB -0.789 30.992 31.823 -0.069 0.000 0.637 1212 V HN 0.592 nan 8.190 nan 0.000 0.444 1213 I N 0.464 121.002 120.570 -0.053 0.000 2.300 1213 I HA -0.279 3.892 4.170 0.002 0.000 0.252 1213 I C 1.282 177.380 176.117 -0.031 0.000 1.119 1213 I CA 1.691 62.975 61.300 -0.027 0.000 1.384 1213 I CB -0.537 37.457 38.000 -0.009 0.000 1.062 1213 I HN 0.442 nan 8.210 nan 0.000 0.426 1214 N N 1.014 119.683 118.700 -0.052 0.000 2.575 1214 N HA 0.148 4.889 4.740 0.002 0.000 0.275 1214 N C 1.214 176.697 175.510 -0.045 0.000 1.202 1214 N CA 0.464 53.494 53.050 -0.033 0.000 0.945 1214 N CB 0.702 39.176 38.487 -0.021 0.000 1.247 1214 N HN 0.495 nan 8.380 nan 0.000 0.510 1215 G N 2.288 111.057 108.800 -0.052 0.000 4.862 1215 G HA2 -0.441 3.521 3.960 0.002 0.000 0.344 1215 G HA3 -0.441 3.521 3.960 0.002 0.000 0.344 1215 G C 0.238 175.087 174.900 -0.087 0.000 1.365 1215 G CA 0.694 45.756 45.100 -0.064 0.000 1.066 1215 G HN 0.565 nan 8.290 nan 0.000 0.808 1216 D N 2.309 122.664 120.400 -0.074 0.000 8.139 1216 D HA 0.033 4.674 4.640 0.002 0.000 0.164 1216 D C 0.823 177.057 176.300 -0.111 0.000 1.327 1216 D CA 1.570 55.530 54.000 -0.066 0.000 0.890 1216 D CB -0.647 40.136 40.800 -0.029 0.000 1.703 1216 D HN 0.891 nan 8.370 nan 0.000 0.970 1217 R N 2.746 123.135 120.500 -0.186 0.000 2.575 1217 R HA 0.642 4.983 4.340 0.002 0.000 0.293 1217 R C -0.861 175.237 176.300 -0.335 0.000 0.983 1217 R CA -1.074 54.731 56.100 -0.493 0.000 0.887 1217 R CB 1.298 31.367 30.300 -0.385 0.000 1.184 1217 R HN 0.343 nan 8.270 nan 0.000 0.445 1218 W N 3.710 124.361 121.300 -1.083 0.000 0.617 1218 W HA 0.209 4.870 4.660 0.002 0.000 0.320 1218 W C -1.803 174.461 176.519 -0.426 0.000 0.869 1218 W CA -1.290 55.721 57.345 -0.558 0.000 1.107 1218 W CB -1.209 28.067 29.460 -0.308 0.000 1.097 1218 W HN 0.744 nan 8.180 nan 0.000 0.514 1219 F N -2.134 117.635 119.950 -0.301 0.000 3.110 1219 F HA 0.142 4.670 4.527 0.002 0.000 0.415 1219 F C 1.091 176.735 175.800 -0.259 0.000 1.036 1219 F CA -0.351 57.418 58.000 -0.385 0.000 0.860 1219 F CB -1.371 37.274 39.000 -0.591 0.000 1.568 1219 F HN -0.135 nan 8.300 nan 0.000 0.517 1220 L N 2.129 123.377 121.223 0.041 0.000 2.351 1220 L HA 0.089 4.430 4.340 0.002 0.000 0.220 1220 L C 0.792 177.639 176.870 -0.039 0.000 1.127 1220 L CA 1.400 56.258 54.840 0.031 0.000 0.786 1220 L CB -0.796 41.213 42.059 -0.083 0.000 0.914 1220 L HN 0.403 nan 8.230 nan 0.000 0.443 1221 N N -0.104 118.559 118.700 -0.061 0.000 2.459 1221 N HA 0.411 5.152 4.740 0.002 0.000 0.288 1221 N C -0.619 174.837 175.510 -0.090 0.000 1.186 1221 N CA -0.421 52.579 53.050 -0.082 0.000 0.917 1221 N CB 1.240 39.670 38.487 -0.095 0.000 1.219 1221 N HN 0.042 nan 8.380 nan 0.000 0.525 1222 R N 0.487 120.916 120.500 -0.118 0.000 3.452 1222 R HA 0.032 4.373 4.340 0.002 0.000 0.279 1222 R C -1.440 174.796 176.300 -0.106 0.000 0.955 1222 R CA -0.555 55.471 56.100 -0.124 0.000 0.835 1222 R CB -0.511 29.756 30.300 -0.054 0.000 1.357 1222 R HN 0.495 nan 8.270 nan 0.000 0.536 1223 F N 1.895 121.826 119.950 -0.032 0.000 2.531 1223 F HA 0.001 4.529 4.527 0.002 0.000 0.340 1223 F C 1.517 177.294 175.800 -0.037 0.000 1.247 1223 F CA 1.011 58.996 58.000 -0.025 0.000 1.027 1223 F CB -0.050 38.942 39.000 -0.012 0.000 1.241 1223 F HN 0.262 nan 8.300 nan 0.000 0.622 1224 T N 3.138 117.753 114.554 0.102 0.000 2.561 1224 T HA -0.117 4.234 4.350 0.002 0.000 0.245 1224 T C 0.839 175.567 174.700 0.047 0.000 1.071 1224 T CA 0.154 62.276 62.100 0.036 0.000 1.368 1224 T CB -0.417 68.460 68.868 0.016 0.000 1.061 1224 T HN 0.712 nan 8.240 nan 0.000 0.511 1225 T N 4.150 118.712 114.554 0.013 0.000 2.701 1225 T HA 0.390 4.742 4.350 0.002 0.000 0.303 1225 T C 1.158 175.866 174.700 0.014 0.000 1.030 1225 T CA -0.020 62.091 62.100 0.018 0.000 1.010 1225 T CB 0.380 69.250 68.868 0.002 0.000 1.007 1225 T HN 0.932 nan 8.240 nan 0.000 0.532 1226 T N 0.582 115.164 114.554 0.046 0.000 2.914 1226 T HA 0.337 4.688 4.350 0.002 0.000 0.313 1226 T C 1.240 175.989 174.700 0.081 0.000 1.137 1226 T CA 0.071 62.203 62.100 0.054 0.000 0.946 1226 T CB 0.004 68.905 68.868 0.055 0.000 1.558 1226 T HN 0.458 nan 8.240 nan 0.000 0.565 1227 L N -1.229 120.046 121.223 0.086 0.000 2.664 1227 L HA 0.543 4.884 4.340 0.002 0.000 0.233 1227 L C 1.585 178.527 176.870 0.120 0.000 1.113 1227 L CA 0.269 55.174 54.840 0.109 0.000 0.896 1227 L CB -1.389 40.714 42.059 0.075 0.000 1.163 1227 L HN 0.641 nan 8.230 nan 0.000 0.497 1228 N N 0.713 119.472 118.700 0.099 0.000 2.672 1228 N HA -0.078 4.664 4.740 0.002 0.000 0.229 1228 N C 0.998 176.551 175.510 0.072 0.000 1.043 1228 N CA 1.016 54.107 53.050 0.068 0.000 0.932 1228 N CB 0.362 38.872 38.487 0.039 0.000 1.500 1228 N HN 0.182 nan 8.380 nan 0.000 0.445 1229 D N 0.539 120.985 120.400 0.077 0.000 2.203 1229 D HA -0.161 4.481 4.640 0.002 0.000 0.199 1229 D C 1.489 177.861 176.300 0.120 0.000 0.997 1229 D CA 1.022 55.065 54.000 0.071 0.000 0.863 1229 D CB -0.259 40.579 40.800 0.064 0.000 0.928 1229 D HN 0.278 nan 8.370 nan 0.000 0.458 1230 F N 2.411 122.363 119.950 0.004 0.000 2.009 1230 F HA -0.167 4.361 4.527 0.002 0.000 0.293 1230 F C 1.757 177.563 175.800 0.010 0.000 1.156 1230 F CA 1.704 59.709 58.000 0.008 0.000 1.168 1230 F CB -1.022 37.987 39.000 0.016 0.000 0.981 1230 F HN -0.010 nan 8.300 nan 0.000 0.475 1231 N N 1.107 119.606 118.700 -0.335 0.000 2.513 1231 N HA -0.220 4.521 4.740 0.002 0.000 0.187 1231 N C 1.791 177.165 175.510 -0.226 0.000 1.056 1231 N CA 1.512 54.319 53.050 -0.405 0.000 0.907 1231 N CB -1.059 37.330 38.487 -0.164 0.000 0.954 1231 N HN 0.615 nan 8.380 nan 0.000 0.445 1232 L N -0.244 120.898 121.223 -0.136 0.000 2.027 1232 L HA -0.042 4.299 4.340 0.002 0.000 0.206 1232 L C 1.670 178.467 176.870 -0.122 0.000 1.074 1232 L CA 1.043 55.829 54.840 -0.091 0.000 0.745 1232 L CB -0.180 41.852 42.059 -0.044 0.000 0.898 1232 L HN 0.084 nan 8.230 nan 0.000 0.433 1233 V N 0.538 120.375 119.914 -0.128 0.000 2.626 1233 V HA -0.203 3.918 4.120 0.002 0.000 0.252 1233 V C 2.841 178.826 176.094 -0.182 0.000 1.067 1233 V CA 1.272 63.492 62.300 -0.132 0.000 1.081 1233 V CB -0.986 30.823 31.823 -0.023 0.000 0.686 1233 V HN 0.595 nan 8.190 nan 0.000 0.468 1234 A N 0.174 122.838 122.820 -0.261 0.000 1.883 1234 A HA -0.231 4.090 4.320 0.002 0.000 0.217 1234 A C 2.059 179.595 177.584 -0.080 0.000 1.186 1234 A CA 2.000 53.893 52.037 -0.240 0.000 0.624 1234 A CB -0.457 18.373 19.000 -0.283 0.000 0.822 1234 A HN 0.427 nan 8.150 nan 0.000 0.444 1235 M N -0.614 118.932 119.600 -0.090 0.000 2.686 1235 M HA 0.032 4.513 4.480 0.002 0.000 0.246 1235 M C 1.600 177.836 176.300 -0.106 0.000 1.096 1235 M CA 1.080 56.346 55.300 -0.055 0.000 1.076 1235 M CB -1.131 31.435 32.600 -0.057 0.000 1.504 1235 M HN 0.569 nan 8.290 nan 0.000 0.524 1236 K N -0.776 119.500 120.400 -0.206 0.000 2.361 1236 K HA -0.030 4.291 4.320 0.002 0.000 0.194 1236 K C 0.215 176.448 176.600 -0.611 0.000 1.032 1236 K CA 0.586 56.634 56.287 -0.397 0.000 1.048 1236 K CB 0.522 32.724 32.500 -0.497 0.000 0.842 1236 K HN 0.165 nan 8.250 nan 0.000 0.526 1237 Y N -0.191 120.065 120.300 -0.073 0.000 2.717 1237 Y HA 0.210 4.761 4.550 0.002 0.000 0.250 1237 Y C -0.489 175.510 175.900 0.165 0.000 1.149 1237 Y CA -0.788 57.284 58.100 -0.047 0.000 1.211 1237 Y CB 0.410 38.715 38.460 -0.259 0.000 1.289 1237 Y HN 0.137 nan 8.280 nan 0.000 0.552 1238 N N 0.258 119.112 118.700 0.257 0.000 2.806 1238 N HA -0.234 4.507 4.740 0.002 0.000 0.248 1238 N C -2.063 173.691 175.510 0.407 0.000 1.081 1238 N CA 0.377 53.586 53.050 0.265 0.000 0.680 1238 N CB -1.645 36.960 38.487 0.198 0.000 0.941 1238 N HN 0.185 nan 8.380 nan 0.000 0.554 1239 Y N 0.394 120.686 120.300 -0.013 0.000 2.326 1239 Y HA 0.349 4.901 4.550 0.002 0.000 0.329 1239 Y C 0.592 176.455 175.900 -0.061 0.000 0.973 1239 Y CA -1.353 56.727 58.100 -0.033 0.000 1.162 1239 Y CB 1.096 39.524 38.460 -0.054 0.000 1.147 1239 Y HN 0.226 nan 8.280 nan 0.000 0.456 1240 E N 5.096 125.327 120.200 0.051 0.000 2.442 1240 E HA 0.081 4.433 4.350 0.002 0.000 0.262 1240 E C -2.168 174.433 176.600 0.000 0.000 1.004 1240 E CA -1.269 55.140 56.400 0.014 0.000 0.928 1240 E CB 0.706 30.406 29.700 -0.000 0.000 0.937 1240 E HN 0.315 nan 8.360 nan 0.000 0.446 1241 P HA -0.021 nan 4.420 nan 0.000 0.276 1241 P C -1.215 176.045 177.300 -0.067 0.000 1.264 1241 P CA 0.151 63.218 63.100 -0.054 0.000 0.815 1241 P CB 0.300 31.969 31.700 -0.052 0.000 1.121 1242 L N -3.892 117.289 121.223 -0.071 0.000 2.434 1242 L HA 0.857 5.198 4.340 0.002 0.000 0.260 1242 L C -0.378 176.420 176.870 -0.121 0.000 0.983 1242 L CA -0.670 54.099 54.840 -0.118 0.000 0.820 1242 L CB 1.159 43.257 42.059 0.066 0.000 1.361 1242 L HN 0.396 nan 8.230 nan 0.000 0.410 1243 T N -2.125 112.296 114.554 -0.222 0.000 2.930 1243 T HA 0.449 4.800 4.350 0.002 0.000 0.290 1243 T C 0.592 175.336 174.700 0.074 0.000 1.052 1243 T CA -0.341 61.722 62.100 -0.062 0.000 1.017 1243 T CB 1.769 70.595 68.868 -0.070 0.000 1.137 1243 T HN 0.639 nan 8.240 nan 0.000 0.511 1244 Q N 0.174 120.026 119.800 0.085 0.000 2.291 1244 Q HA -0.008 4.333 4.340 0.002 0.000 0.206 1244 Q C 1.242 177.324 176.000 0.137 0.000 0.976 1244 Q CA 1.433 57.299 55.803 0.104 0.000 0.875 1244 Q CB -0.476 28.308 28.738 0.075 0.000 0.927 1244 Q HN 0.702 nan 8.270 nan 0.000 0.450 1245 D N -1.571 118.931 120.400 0.171 0.000 2.392 1245 D HA -0.095 4.546 4.640 0.002 0.000 0.228 1245 D C 0.665 177.125 176.300 0.266 0.000 1.003 1245 D CA 0.694 54.811 54.000 0.195 0.000 0.917 1245 D CB 0.119 41.041 40.800 0.204 0.000 0.890 1245 D HN 0.367 nan 8.370 nan 0.000 0.532 1246 H N -1.681 117.428 119.070 0.065 0.000 2.885 1246 H HA 0.211 4.768 4.556 0.002 0.000 0.260 1246 H C 1.843 177.218 175.328 0.079 0.000 0.985 1246 H CA 0.181 56.275 56.048 0.076 0.000 1.210 1246 H CB 0.662 30.476 29.762 0.087 0.000 1.466 1246 H HN -0.065 nan 8.280 nan 0.000 0.493 1247 V N 0.097 120.125 119.914 0.190 0.000 3.125 1247 V HA -0.070 4.051 4.120 0.002 0.000 0.249 1247 V C 1.371 177.517 176.094 0.086 0.000 1.113 1247 V CA 0.960 63.340 62.300 0.134 0.000 1.106 1247 V CB 0.141 32.040 31.823 0.125 0.000 0.768 1247 V HN 0.355 nan 8.190 nan 0.000 0.468 1248 D N 1.150 121.597 120.400 0.078 0.000 2.351 1248 D HA -0.072 4.569 4.640 0.002 0.000 0.216 1248 D C 1.908 178.225 176.300 0.028 0.000 0.968 1248 D CA 1.346 55.375 54.000 0.049 0.000 0.899 1248 D CB 0.165 40.995 40.800 0.049 0.000 0.907 1248 D HN 0.591 nan 8.370 nan 0.000 0.514 1249 I N -2.446 118.141 120.570 0.028 0.000 3.228 1249 I HA 0.006 4.177 4.170 0.002 0.000 0.279 1249 I C 1.850 177.961 176.117 -0.010 0.000 1.221 1249 I CA 0.218 61.521 61.300 0.004 0.000 1.458 1249 I CB -0.281 37.717 38.000 -0.004 0.000 1.105 1249 I HN -0.165 nan 8.210 nan 0.000 0.445 1250 L N 2.065 123.288 121.223 -0.000 0.000 2.650 1250 L HA 0.169 4.511 4.340 0.002 0.000 0.235 1250 L C 2.412 179.237 176.870 -0.074 0.000 1.149 1250 L CA 0.375 55.182 54.840 -0.056 0.000 0.887 1250 L CB -0.804 41.269 42.059 0.024 0.000 1.021 1250 L HN 0.352 nan 8.230 nan 0.000 0.441 1251 G N 1.955 110.736 108.800 -0.031 0.000 2.679 1251 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 1251 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 1251 G C -0.627 174.243 174.900 -0.049 0.000 1.267 1251 G CA 0.777 45.864 45.100 -0.020 0.000 0.799 1251 G HN 0.289 nan 8.290 nan 0.000 0.606 1252 P HA -0.081 nan 4.420 nan 0.000 0.216 1252 P C 2.094 179.313 177.300 -0.135 0.000 1.150 1252 P CA 0.678 63.739 63.100 -0.064 0.000 0.843 1252 P CB -0.044 31.631 31.700 -0.042 0.000 0.787 1253 L N -0.489 120.565 121.223 -0.281 0.000 1.941 1253 L HA -0.228 4.113 4.340 0.002 0.000 0.224 1253 L C 2.493 179.087 176.870 -0.460 0.000 1.081 1253 L CA 2.435 56.856 54.840 -0.699 0.000 0.784 1253 L CB -2.149 39.130 42.059 -1.300 0.000 0.894 1253 L HN 0.083 nan 8.230 nan 0.000 0.436 1254 S N -0.678 114.927 115.700 -0.158 0.000 2.370 1254 S HA -0.160 4.311 4.470 0.002 0.000 0.226 1254 S C 1.974 176.643 174.600 0.115 0.000 1.033 1254 S CA 1.267 59.614 58.200 0.245 0.000 1.011 1254 S CB -0.224 63.107 63.200 0.218 0.000 0.852 1254 S HN 0.479 nan 8.310 nan 0.000 0.457 1255 A N 0.068 122.907 122.820 0.032 0.000 2.194 1255 A HA -0.063 4.258 4.320 0.002 0.000 0.220 1255 A C 1.469 179.070 177.584 0.028 0.000 1.162 1255 A CA 1.092 53.143 52.037 0.023 0.000 0.674 1255 A CB -0.315 18.686 19.000 0.002 0.000 0.789 1255 A HN 0.713 nan 8.150 nan 0.000 0.470 1256 Q N -0.692 119.132 119.800 0.039 0.000 2.647 1256 Q HA 0.281 4.623 4.340 0.002 0.000 0.400 1256 Q C 0.099 176.155 176.000 0.092 0.000 0.959 1256 Q CA 0.462 56.293 55.803 0.047 0.000 1.079 1256 Q CB 0.414 29.166 28.738 0.024 0.000 1.351 1256 Q HN 0.755 nan 8.270 nan 0.000 0.411 1257 T N -5.911 108.696 114.554 0.088 0.000 3.785 1257 T HA 0.095 4.446 4.350 0.002 0.000 0.210 1257 T C 1.009 175.742 174.700 0.054 0.000 0.600 1257 T CA 0.088 62.237 62.100 0.081 0.000 1.026 1257 T CB -0.357 68.590 68.868 0.133 0.000 0.743 1257 T HN 0.314 nan 8.240 nan 0.000 0.328 1258 G N 2.250 111.093 108.800 0.071 0.000 2.227 1258 G HA2 -0.012 3.949 3.960 0.002 0.000 0.168 1258 G HA3 -0.012 3.949 3.960 0.002 0.000 0.168 1258 G C 0.072 174.989 174.900 0.029 0.000 1.006 1258 G CA -0.199 44.926 45.100 0.043 0.000 0.684 1258 G HN 1.402 nan 8.290 nan 0.000 0.489 1259 I N 0.160 120.747 120.570 0.028 0.000 2.471 1259 I HA 0.739 4.910 4.170 0.002 0.000 0.286 1259 I C 0.842 176.954 176.117 -0.008 0.000 1.079 1259 I CA -0.424 60.857 61.300 -0.032 0.000 1.398 1259 I CB 1.023 38.945 38.000 -0.131 0.000 1.403 1259 I HN 0.321 nan 8.210 nan 0.000 0.530 1260 A N 5.763 128.568 122.820 -0.024 0.000 2.407 1260 A HA 0.272 4.593 4.320 0.002 0.000 0.257 1260 A C 1.144 178.719 177.584 -0.015 0.000 1.131 1260 A CA -0.028 52.005 52.037 -0.007 0.000 0.803 1260 A CB 0.383 19.369 19.000 -0.024 0.000 1.083 1260 A HN 0.761 nan 8.150 nan 0.000 0.512 1261 V N -0.388 119.531 119.914 0.007 0.000 2.521 1261 V HA -0.065 4.056 4.120 0.002 0.000 0.239 1261 V C 2.373 178.417 176.094 -0.085 0.000 1.053 1261 V CA 1.375 63.681 62.300 0.010 0.000 1.073 1261 V CB -1.153 30.706 31.823 0.061 0.000 0.746 1261 V HN 0.770 nan 8.190 nan 0.000 0.476 1262 L N 0.313 121.490 121.223 -0.077 0.000 1.955 1262 L HA -0.250 4.091 4.340 0.002 0.000 0.213 1262 L C 2.333 179.093 176.870 -0.183 0.000 1.072 1262 L CA 2.278 57.040 54.840 -0.131 0.000 0.755 1262 L CB -1.019 41.005 42.059 -0.059 0.000 0.888 1262 L HN 0.321 nan 8.230 nan 0.000 0.432 1263 D N -0.324 120.005 120.400 -0.118 0.000 2.133 1263 D HA -0.271 4.370 4.640 0.002 0.000 0.192 1263 D C 2.001 178.203 176.300 -0.164 0.000 1.001 1263 D CA 1.556 55.488 54.000 -0.114 0.000 0.844 1263 D CB -0.166 40.587 40.800 -0.079 0.000 0.944 1263 D HN 0.175 nan 8.370 nan 0.000 0.447 1264 M N 0.249 119.738 119.600 -0.186 0.000 2.080 1264 M HA -0.158 4.323 4.480 0.002 0.000 0.260 1264 M C 1.788 177.903 176.300 -0.308 0.000 1.068 1264 M CA 1.463 56.626 55.300 -0.229 0.000 1.109 1264 M CB -0.590 31.859 32.600 -0.251 0.000 1.342 1264 M HN 0.164 nan 8.290 nan 0.000 0.405 1265 C N 0.220 119.252 119.300 -0.446 0.000 2.403 1265 C HA -0.116 4.345 4.460 0.002 0.000 0.277 1265 C C 2.869 177.426 174.990 -0.722 0.000 1.248 1265 C CA 0.974 59.429 59.018 -0.938 0.000 1.762 1265 C CB -2.098 24.684 27.740 -1.597 0.000 2.014 1265 C HN 0.736 nan 8.230 nan 0.000 0.486 1266 A N 0.545 123.125 122.820 -0.401 0.000 1.972 1266 A HA 0.096 4.417 4.320 0.002 0.000 0.219 1266 A C 2.356 179.878 177.584 -0.103 0.000 1.169 1266 A CA 1.862 53.803 52.037 -0.160 0.000 0.635 1266 A CB -0.729 18.232 19.000 -0.065 0.000 0.810 1266 A HN 0.604 nan 8.150 nan 0.000 0.446 1267 A N -0.585 122.142 122.820 -0.155 0.000 2.024 1267 A HA 0.011 4.332 4.320 0.002 0.000 0.220 1267 A C 1.960 179.448 177.584 -0.160 0.000 1.164 1267 A CA 1.632 53.578 52.037 -0.152 0.000 0.643 1267 A CB -0.437 18.436 19.000 -0.211 0.000 0.806 1267 A HN 0.417 nan 8.150 nan 0.000 0.451 1268 L N -0.306 120.848 121.223 -0.114 0.000 2.044 1268 L HA -0.074 4.267 4.340 0.002 0.000 0.205 1268 L C 2.354 179.216 176.870 -0.014 0.000 1.075 1268 L CA 2.151 56.971 54.840 -0.033 0.000 0.747 1268 L CB -0.702 41.456 42.059 0.165 0.000 0.903 1268 L HN 0.407 nan 8.230 nan 0.000 0.435 1269 K N 0.205 120.659 120.400 0.090 0.000 2.015 1269 K HA -0.304 4.017 4.320 0.002 0.000 0.216 1269 K C 2.169 178.782 176.600 0.022 0.000 1.052 1269 K CA 2.169 58.518 56.287 0.103 0.000 0.937 1269 K CB -0.225 32.366 32.500 0.153 0.000 0.719 1269 K HN 0.369 nan 8.250 nan 0.000 0.446 1270 E N 0.384 120.588 120.200 0.008 0.000 2.338 1270 E HA -0.156 4.195 4.350 0.002 0.000 0.197 1270 E C 1.874 178.433 176.600 -0.068 0.000 1.007 1270 E CA 0.496 56.890 56.400 -0.010 0.000 0.849 1270 E CB 0.061 29.754 29.700 -0.011 0.000 0.774 1270 E HN 0.406 nan 8.360 nan 0.000 0.506 1271 L N 0.183 121.337 121.223 -0.114 0.000 2.418 1271 L HA -0.014 4.327 4.340 0.002 0.000 0.218 1271 L C 1.879 178.637 176.870 -0.187 0.000 1.125 1271 L CA 0.313 55.064 54.840 -0.149 0.000 0.835 1271 L CB 0.158 42.117 42.059 -0.167 0.000 0.953 1271 L HN 0.231 nan 8.230 nan 0.000 0.454 1272 L N -1.715 119.328 121.223 -0.299 0.000 2.586 1272 L HA 0.004 4.345 4.340 0.002 0.000 0.204 1272 L C 2.398 178.994 176.870 -0.456 0.000 1.053 1272 L CA 0.193 54.687 54.840 -0.577 0.000 0.856 1272 L CB -0.459 40.853 42.059 -1.246 0.000 1.192 1272 L HN 0.175 nan 8.230 nan 0.000 0.484 1273 Q N 0.450 120.122 119.800 -0.213 0.000 2.224 1273 Q HA -0.120 4.221 4.340 0.002 0.000 0.203 1273 Q C 0.916 176.941 176.000 0.042 0.000 0.970 1273 Q CA 1.520 57.381 55.803 0.097 0.000 0.865 1273 Q CB 0.002 28.849 28.738 0.182 0.000 0.922 1273 Q HN 0.517 nan 8.270 nan 0.000 0.445 1274 N N -0.095 118.601 118.700 -0.007 0.000 2.672 1274 N HA 0.236 4.977 4.740 0.002 0.000 0.229 1274 N C 0.901 176.412 175.510 0.002 0.000 1.043 1274 N CA 1.226 54.285 53.050 0.016 0.000 0.932 1274 N CB 1.216 39.719 38.487 0.027 0.000 1.500 1274 N HN 0.389 nan 8.380 nan 0.000 0.445 1275 G N 1.450 110.230 108.800 -0.032 0.000 2.460 1275 G HA2 -0.149 3.812 3.960 0.002 0.000 0.207 1275 G HA3 -0.149 3.812 3.960 0.002 0.000 0.207 1275 G C -0.037 174.879 174.900 0.027 0.000 1.170 1275 G CA 0.334 45.425 45.100 -0.016 0.000 1.151 1275 G HN 0.312 nan 8.290 nan 0.000 0.575 1276 M N -2.005 117.668 119.600 0.123 0.000 2.096 1276 M HA 0.362 4.843 4.480 0.002 0.000 0.422 1276 M C -0.095 176.401 176.300 0.326 0.000 0.886 1276 M CA -0.018 55.468 55.300 0.309 0.000 1.103 1276 M CB 0.123 32.941 32.600 0.364 0.000 2.239 1276 M HN 0.340 nan 8.290 nan 0.000 0.758 1277 N N 3.782 122.589 118.700 0.178 0.000 1.628 1277 N HA 0.170 4.911 4.740 0.002 0.000 0.321 1277 N C 0.815 176.393 175.510 0.113 0.000 1.268 1277 N CA 2.078 55.203 53.050 0.124 0.000 0.886 1277 N CB -0.372 38.167 38.487 0.086 0.000 1.182 1277 N HN 0.831 nan 8.380 nan 0.000 0.495 1278 G N 1.449 110.302 108.800 0.088 0.000 1.819 1278 G HA2 -0.204 3.757 3.960 0.002 0.000 0.217 1278 G HA3 -0.204 3.757 3.960 0.002 0.000 0.217 1278 G C -0.273 174.604 174.900 -0.038 0.000 1.982 1278 G CA -0.597 44.513 45.100 0.017 0.000 1.468 1278 G HN 0.549 nan 8.290 nan 0.000 0.474 1279 R N 1.714 122.101 120.500 -0.188 0.000 2.784 1279 R HA 0.511 4.852 4.340 0.002 0.000 0.266 1279 R C 0.655 176.916 176.300 -0.066 0.000 1.044 1279 R CA 0.982 56.792 56.100 -0.484 0.000 1.151 1279 R CB 0.548 29.925 30.300 -1.538 0.000 1.037 1279 R HN 0.759 nan 8.270 nan 0.000 0.478 1280 T N -1.978 112.580 114.554 0.006 0.000 2.858 1280 T HA 0.610 4.961 4.350 0.002 0.000 0.285 1280 T C -0.057 174.903 174.700 0.432 0.000 1.052 1280 T CA -0.914 61.372 62.100 0.309 0.000 1.009 1280 T CB 1.081 70.062 68.868 0.189 0.000 1.241 1280 T HN 0.379 nan 8.240 nan 0.000 0.542 1281 I N 1.984 122.804 120.570 0.416 0.000 2.390 1281 I HA 0.335 4.506 4.170 0.002 0.000 0.283 1281 I C 0.113 176.342 176.117 0.186 0.000 1.016 1281 I CA -0.913 60.556 61.300 0.283 0.000 1.151 1281 I CB 1.054 39.082 38.000 0.048 0.000 1.293 1281 I HN 0.721 nan 8.210 nan 0.000 0.458 1282 L N 6.384 127.672 121.223 0.109 0.000 3.737 1282 L HA -0.356 3.985 4.340 0.002 0.000 0.418 1282 L C 1.224 178.227 176.870 0.221 0.000 1.216 1282 L CA 0.738 55.657 54.840 0.132 0.000 0.915 1282 L CB -1.828 40.293 42.059 0.103 0.000 1.834 1282 L HN 1.132 nan 8.230 nan 0.000 0.943 1283 G N -1.548 107.365 108.800 0.189 0.000 3.586 1283 G HA2 -0.349 3.612 3.960 0.002 0.000 0.212 1283 G HA3 -0.349 3.612 3.960 0.002 0.000 0.212 1283 G C 0.258 175.276 174.900 0.196 0.000 1.411 1283 G CA 0.383 45.585 45.100 0.170 0.000 0.898 1283 G HN 0.748 nan 8.290 nan 0.000 0.575 1284 S N 1.404 117.265 115.700 0.268 0.000 2.568 1284 S HA 0.426 4.897 4.470 0.002 0.000 0.282 1284 S C 1.976 176.716 174.600 0.233 0.000 1.338 1284 S CA 1.401 59.733 58.200 0.220 0.000 1.045 1284 S CB 1.064 64.383 63.200 0.199 0.000 0.873 1284 S HN 1.570 nan 8.310 nan 0.000 0.516 1285 T N 3.621 118.266 114.554 0.152 0.000 2.866 1285 T HA 0.161 4.512 4.350 0.002 0.000 0.250 1285 T C 1.185 175.970 174.700 0.141 0.000 1.033 1285 T CA 0.435 62.624 62.100 0.149 0.000 1.145 1285 T CB -0.684 68.242 68.868 0.096 0.000 0.866 1285 T HN 0.629 nan 8.240 nan 0.000 0.434 1286 I N 1.408 122.023 120.570 0.075 0.000 3.246 1286 I HA 0.233 4.405 4.170 0.002 0.000 0.280 1286 I C -0.178 175.938 176.117 -0.002 0.000 1.239 1286 I CA -0.775 60.542 61.300 0.030 0.000 1.336 1286 I CB 0.055 38.042 38.000 -0.022 0.000 1.383 1286 I HN 0.084 nan 8.210 nan 0.000 0.617 1287 L N 2.824 124.028 121.223 -0.032 0.000 2.265 1287 L HA 0.251 4.592 4.340 0.002 0.000 0.288 1287 L C 0.317 176.961 176.870 -0.376 0.000 1.058 1287 L CA -0.021 54.750 54.840 -0.115 0.000 0.809 1287 L CB 0.450 42.567 42.059 0.096 0.000 1.179 1287 L HN 0.422 nan 8.230 nan 0.000 0.429 1288 E N 2.759 122.392 120.200 -0.945 0.000 2.316 1288 E HA 0.055 4.406 4.350 0.002 0.000 0.275 1288 E C -0.153 176.191 176.600 -0.427 0.000 1.029 1288 E CA 0.043 55.981 56.400 -0.770 0.000 0.871 1288 E CB 1.222 30.275 29.700 -1.078 0.000 1.022 1288 E HN 0.553 nan 8.360 nan 0.000 0.418 1289 D N 1.798 122.034 120.400 -0.274 0.000 2.433 1289 D HA -0.013 4.628 4.640 0.002 0.000 0.211 1289 D C -0.141 176.070 176.300 -0.148 0.000 1.114 1289 D CA 0.023 53.927 54.000 -0.160 0.000 0.837 1289 D CB 0.223 40.908 40.800 -0.191 0.000 0.984 1289 D HN 0.296 nan 8.370 nan 0.000 0.505 1290 E N 0.260 120.295 120.200 -0.275 0.000 2.201 1290 E HA 0.272 4.623 4.350 0.002 0.000 0.272 1290 E C -1.119 175.146 176.600 -0.557 0.000 1.228 1290 E CA -0.324 55.847 56.400 -0.382 0.000 1.305 1290 E CB 0.006 29.418 29.700 -0.479 0.000 1.381 1290 E HN 0.027 nan 8.360 nan 0.000 0.475 1291 F N 0.295 120.236 119.950 -0.015 0.000 3.483 1291 F HA 0.027 4.554 4.527 0.002 0.000 0.393 1291 F C 0.400 176.268 175.800 0.114 0.000 1.240 1291 F CA -1.018 57.038 58.000 0.093 0.000 1.320 1291 F CB 0.857 39.992 39.000 0.225 0.000 1.965 1291 F HN -0.058 nan 8.300 nan 0.000 0.715 1292 T N -0.231 114.479 114.554 0.261 0.000 2.813 1292 T HA 0.281 4.632 4.350 0.002 0.000 0.297 1292 T C -1.929 172.913 174.700 0.237 0.000 1.036 1292 T CA -1.492 60.737 62.100 0.215 0.000 1.044 1292 T CB 1.429 70.411 68.868 0.191 0.000 0.993 1292 T HN 0.151 nan 8.240 nan 0.000 0.535 1293 P HA -0.058 nan 4.420 nan 0.000 0.218 1293 P C 1.124 178.563 177.300 0.231 0.000 1.148 1293 P CA 0.601 63.799 63.100 0.162 0.000 0.822 1293 P CB -0.092 31.670 31.700 0.102 0.000 0.784 1294 F N 0.896 120.908 119.950 0.104 0.000 2.163 1294 F HA -0.109 4.419 4.527 0.002 0.000 0.297 1294 F C 1.627 177.523 175.800 0.161 0.000 1.094 1294 F CA 1.309 59.381 58.000 0.120 0.000 1.290 1294 F CB -1.000 38.080 39.000 0.133 0.000 1.017 1294 F HN -0.176 nan 8.300 nan 0.000 0.483 1295 D N 0.244 120.655 120.400 0.018 0.000 2.133 1295 D HA -0.172 4.469 4.640 0.002 0.000 0.195 1295 D C 2.534 178.885 176.300 0.084 0.000 0.997 1295 D CA 1.639 55.604 54.000 -0.059 0.000 0.840 1295 D CB -0.473 40.421 40.800 0.157 0.000 0.947 1295 D HN 0.250 nan 8.370 nan 0.000 0.452 1296 V N 0.397 120.444 119.914 0.220 0.000 2.427 1296 V HA -0.167 3.954 4.120 0.002 0.000 0.248 1296 V C 2.526 178.723 176.094 0.172 0.000 1.051 1296 V CA 0.916 63.376 62.300 0.267 0.000 1.048 1296 V CB -0.119 31.776 31.823 0.119 0.000 0.666 1296 V HN 0.059 nan 8.190 nan 0.000 0.456 1297 V N -0.014 119.977 119.914 0.128 0.000 2.407 1297 V HA -0.122 3.999 4.120 0.002 0.000 0.245 1297 V C 2.593 178.744 176.094 0.094 0.000 1.041 1297 V CA 1.649 64.026 62.300 0.129 0.000 1.040 1297 V CB -0.858 31.080 31.823 0.192 0.000 0.671 1297 V HN 0.447 nan 8.190 nan 0.000 0.455 1298 R N 0.291 120.775 120.500 -0.026 0.000 2.133 1298 R HA -0.232 4.109 4.340 0.002 0.000 0.247 1298 R C 2.140 178.385 176.300 -0.093 0.000 1.151 1298 R CA 2.060 58.057 56.100 -0.172 0.000 0.971 1298 R CB -0.304 29.553 30.300 -0.738 0.000 0.866 1298 R HN 0.603 nan 8.270 nan 0.000 0.447 1299 Q N -0.582 119.185 119.800 -0.055 0.000 1.990 1299 Q HA -0.069 4.273 4.340 0.002 0.000 0.195 1299 Q C 2.361 178.378 176.000 0.027 0.000 0.977 1299 Q CA 1.559 57.335 55.803 -0.045 0.000 0.828 1299 Q CB -0.051 28.639 28.738 -0.080 0.000 0.896 1299 Q HN 0.429 nan 8.270 nan 0.000 0.447 1300 C N 0.245 119.614 119.300 0.115 0.000 2.401 1300 C HA -0.093 4.369 4.460 0.002 0.000 0.286 1300 C C 2.916 177.941 174.990 0.059 0.000 1.332 1300 C CA 0.974 60.053 59.018 0.102 0.000 1.795 1300 C CB -0.902 26.906 27.740 0.113 0.000 1.922 1300 C HN 0.492 nan 8.230 nan 0.000 0.520 1301 S N -1.257 114.475 115.700 0.053 0.000 2.421 1301 S HA 0.277 4.749 4.470 0.002 0.000 0.224 1301 S C 1.613 176.230 174.600 0.028 0.000 1.035 1301 S CA 1.529 59.758 58.200 0.048 0.000 0.953 1301 S CB -0.043 63.202 63.200 0.075 0.000 0.810 1301 S HN 0.869 nan 8.310 nan 0.000 0.497 1302 G N 0.730 109.534 108.800 0.006 0.000 2.163 1302 G HA2 -0.232 3.730 3.960 0.002 0.000 0.213 1302 G HA3 -0.232 3.730 3.960 0.002 0.000 0.213 1302 G C 0.172 175.040 174.900 -0.053 0.000 0.991 1302 G CA -0.058 45.030 45.100 -0.021 0.000 0.653 1302 G HN 1.353 nan 8.290 nan 0.000 0.518 1303 V N 1.252 121.139 119.914 -0.045 0.000 2.536 1303 V HA 0.414 4.536 4.120 0.002 0.000 0.287 1303 V C 1.232 177.051 176.094 -0.458 0.000 0.979 1303 V CA 0.980 63.225 62.300 -0.091 0.000 1.161 1303 V CB -0.701 31.152 31.823 0.050 0.000 0.915 1303 V HN 1.288 nan 8.190 nan 0.000 0.467 1304 T N 3.267 117.579 114.554 -0.404 0.000 3.560 1304 T HA 0.657 5.008 4.350 0.002 0.000 0.350 1304 T C 0.081 174.031 174.700 -1.251 0.000 1.264 1304 T CA 0.491 62.252 62.100 -0.566 0.000 0.924 1304 T CB 0.593 69.360 68.868 -0.168 0.000 1.997 1304 T HN 0.610 nan 8.240 nan 0.000 0.553 1305 F N -0.815 119.035 119.950 -0.168 0.000 4.061 1305 F HA 0.682 5.210 4.527 0.001 0.000 0.317 1305 F C -0.291 175.467 175.800 -0.071 0.000 1.288 1305 F CA -0.806 57.031 58.000 -0.272 0.000 0.922 1305 F CB 0.632 39.530 39.000 -0.170 0.000 1.794 1305 F HN 0.835 nan 8.300 nan 0.000 0.495 1306 Q N 0.000 119.935 119.800 0.225 0.000 2.315 1306 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 1306 Q CA 0.000 55.884 55.803 0.136 0.000 1.022 1306 Q CB 0.000 28.818 28.738 0.133 0.000 1.108 1306 Q HN 0.000 nan 8.270 nan 0.000 0.481