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 1wv2_1_A DATA FIRST_RESID 1009 DATA SEQUENCE TPFVIAGRTY GSRLLVGTGK YKDLDETRRA IEASGAEIVT VAVRRTNXXX DATA SEQUENCE XXXXXXXXXX IPPDRYTILP NTAGCYDAVE AVRTCRLARE LLDGHNLVKL DATA SEQUENCE EVLADQKTLF PNVVETLKAA EQLVKDGFDV MVYTSDDPII ARQLAEIGCI DATA SEQUENCE AVMPLAGLIG SGLGICNPYN LRIILEEAKV PVLVDAGVGT ASDAAIAMEL DATA SEQUENCE GCEAVLMNTA IAHAKDPVMM AEAMKHAIVA GRLAYLAGRM PRK 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1009 T C 0.000 174.758 174.700 0.097 0.000 1.109 1009 T CA 0.000 62.146 62.100 0.077 0.000 1.349 1009 T CB 0.000 68.919 68.868 0.086 0.000 0.612 1010 P HA 0.465 nan 4.420 nan 0.000 0.287 1010 P C -1.451 175.952 177.300 0.171 0.000 1.281 1010 P CA -0.366 62.797 63.100 0.106 0.000 0.781 1010 P CB 0.370 32.099 31.700 0.048 0.000 0.903 1011 F N 5.618 125.603 119.950 0.059 0.000 2.405 1011 F HA 0.274 4.801 4.527 0.000 0.000 0.358 1011 F C -0.300 175.580 175.800 0.132 0.000 1.151 1011 F CA -1.158 56.895 58.000 0.090 0.000 1.161 1011 F CB 0.196 39.258 39.000 0.104 0.000 1.245 1011 F HN 0.137 nan 8.300 nan 0.000 0.545 1012 V N 5.949 125.688 119.914 -0.292 0.000 2.417 1012 V HA 0.619 4.739 4.120 -0.000 0.000 0.291 1012 V C -0.557 175.320 176.094 -0.361 0.000 1.024 1012 V CA -0.738 61.377 62.300 -0.309 0.000 0.861 1012 V CB 1.509 33.249 31.823 -0.139 0.000 0.985 1012 V HN 0.500 nan 8.190 nan 0.000 0.436 1013 I N 4.137 124.541 120.570 -0.277 0.000 2.478 1013 I HA 0.639 4.809 4.170 -0.000 0.000 0.287 1013 I C 0.720 176.823 176.117 -0.025 0.000 1.042 1013 I CA -0.085 61.126 61.300 -0.148 0.000 1.067 1013 I CB 1.218 39.117 38.000 -0.169 0.000 1.233 1013 I HN 1.143 nan 8.210 nan 0.000 0.431 1014 A N 4.859 127.664 122.820 -0.025 0.000 2.687 1014 A HA -0.045 4.275 4.320 -0.000 0.000 0.299 1014 A C 1.509 179.077 177.584 -0.026 0.000 1.497 1014 A CA 1.686 53.719 52.037 -0.006 0.000 0.751 1014 A CB -1.747 17.267 19.000 0.024 0.000 1.048 1014 A HN 2.054 nan 8.150 nan 0.000 0.464 1015 G N -1.336 107.433 108.800 -0.052 0.000 2.900 1015 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.223 1015 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.223 1015 G C 0.422 175.250 174.900 -0.120 0.000 1.293 1015 G CA 0.692 45.750 45.100 -0.069 0.000 0.792 1015 G HN 1.338 nan 8.290 nan 0.000 0.527 1016 R N 1.600 122.008 120.500 -0.152 0.000 2.623 1016 R HA 0.465 4.805 4.340 -0.000 0.000 0.271 1016 R C 0.335 176.361 176.300 -0.457 0.000 1.043 1016 R CA 0.922 56.830 56.100 -0.321 0.000 1.083 1016 R CB 0.641 30.701 30.300 -0.400 0.000 0.974 1016 R HN 0.432 nan 8.270 nan 0.000 0.436 1017 T N 1.819 116.056 114.554 -0.529 0.000 2.829 1017 T HA 0.498 4.848 4.350 -0.000 0.000 0.280 1017 T C -1.012 173.366 174.700 -0.536 0.000 0.999 1017 T CA -0.591 61.263 62.100 -0.410 0.000 0.983 1017 T CB 0.611 69.365 68.868 -0.190 0.000 0.968 1017 T HN 0.416 nan 8.240 nan 0.000 0.446 1018 Y N 1.385 121.667 120.300 -0.030 0.000 2.621 1018 Y HA 0.649 5.199 4.550 0.000 0.000 0.334 1018 Y C 1.424 177.427 175.900 0.172 0.000 1.074 1018 Y CA -0.815 57.346 58.100 0.103 0.000 1.149 1018 Y CB 1.677 40.271 38.460 0.223 0.000 1.302 1018 Y HN 0.739 nan 8.280 nan 0.000 0.501 1019 G N -0.577 108.399 108.800 0.292 0.000 2.556 1019 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.209 1019 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.209 1019 G C 0.266 175.250 174.900 0.139 0.000 1.159 1019 G CA 0.167 45.369 45.100 0.170 0.000 0.828 1019 G HN 0.415 nan 8.290 nan 0.000 0.553 1020 S N 0.109 115.883 115.700 0.124 0.000 2.523 1020 S HA 0.370 4.840 4.470 -0.000 0.000 0.275 1020 S C 0.817 175.370 174.600 -0.079 0.000 1.281 1020 S CA -0.521 57.691 58.200 0.019 0.000 1.050 1020 S CB 0.907 64.115 63.200 0.013 0.000 0.937 1020 S HN 0.303 nan 8.310 nan 0.000 0.492 1021 R N 2.692 123.054 120.500 -0.230 0.000 2.515 1021 R HA 0.259 4.599 4.340 -0.000 0.000 0.294 1021 R C -0.579 175.507 176.300 -0.357 0.000 1.021 1021 R CA -0.160 55.616 56.100 -0.539 0.000 1.081 1021 R CB 0.105 30.103 30.300 -0.504 0.000 1.263 1021 R HN 0.435 nan 8.270 nan 0.000 0.557 1022 L N 1.500 122.602 121.223 -0.202 0.000 2.387 1022 L HA 0.358 4.698 4.340 -0.000 0.000 0.259 1022 L C -1.111 175.709 176.870 -0.084 0.000 1.050 1022 L CA -0.840 53.924 54.840 -0.128 0.000 0.922 1022 L CB 0.565 42.577 42.059 -0.078 0.000 1.280 1022 L HN -0.106 nan 8.230 nan 0.000 0.449 1023 L N 3.855 125.021 121.223 -0.094 0.000 2.461 1023 L HA 0.445 4.785 4.340 -0.000 0.000 0.272 1023 L C 0.186 177.036 176.870 -0.034 0.000 1.197 1023 L CA 0.371 55.178 54.840 -0.055 0.000 0.836 1023 L CB 1.282 43.308 42.059 -0.055 0.000 1.105 1023 L HN 0.416 nan 8.230 nan 0.000 0.477 1024 V N 1.988 121.894 119.914 -0.013 0.000 2.789 1024 V HA 0.890 5.010 4.120 -0.000 0.000 0.311 1024 V C 0.189 176.284 176.094 0.002 0.000 1.073 1024 V CA -0.227 62.075 62.300 0.004 0.000 0.921 1024 V CB 1.944 33.789 31.823 0.038 0.000 1.009 1024 V HN 0.798 nan 8.190 nan 0.000 0.426 1025 G N 3.027 111.829 108.800 0.004 0.000 2.535 1025 G HA2 0.713 4.673 3.960 -0.000 0.000 0.303 1025 G HA3 0.713 4.673 3.960 -0.000 0.000 0.303 1025 G C -0.124 174.819 174.900 0.073 0.000 1.237 1025 G CA 0.224 45.321 45.100 -0.005 0.000 0.986 1025 G HN 1.214 nan 8.290 nan 0.000 0.494 1026 T N -5.136 109.447 114.554 0.049 0.000 2.742 1026 T HA 0.602 4.952 4.350 -0.000 0.000 0.282 1026 T C 1.057 175.797 174.700 0.066 0.000 1.025 1026 T CA 0.415 62.593 62.100 0.129 0.000 1.020 1026 T CB 1.393 70.296 68.868 0.057 0.000 1.317 1026 T HN 2.248 nan 8.240 nan 0.000 0.538 1027 G N 0.576 109.447 108.800 0.117 0.000 2.205 1027 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 1027 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 1027 G C 0.853 175.768 174.900 0.024 0.000 0.980 1027 G CA 0.549 45.683 45.100 0.057 0.000 0.632 1027 G HN 0.738 nan 8.290 nan 0.000 0.533 1028 K N -0.454 119.912 120.400 -0.057 0.000 2.367 1028 K HA 0.253 4.573 4.320 -0.000 0.000 0.194 1028 K C 0.963 177.482 176.600 -0.135 0.000 1.027 1028 K CA -0.030 56.183 56.287 -0.125 0.000 1.075 1028 K CB 0.195 32.531 32.500 -0.274 0.000 0.845 1028 K HN 0.513 nan 8.250 nan 0.000 0.529 1029 Y N 1.207 121.534 120.300 0.046 0.000 2.262 1029 Y HA 0.012 4.562 4.550 -0.000 0.000 0.368 1029 Y C 1.824 177.735 175.900 0.017 0.000 1.352 1029 Y CA -0.034 58.085 58.100 0.032 0.000 1.760 1029 Y CB 0.417 38.883 38.460 0.009 0.000 1.627 1029 Y HN -0.309 nan 8.280 nan 0.000 0.606 1030 K N 0.030 120.544 120.400 0.191 0.000 2.308 1030 K HA 0.125 4.445 4.320 -0.000 0.000 0.197 1030 K C -0.712 175.932 176.600 0.073 0.000 1.049 1030 K CA 0.833 57.175 56.287 0.090 0.000 0.991 1030 K CB -0.356 32.179 32.500 0.058 0.000 0.836 1030 K HN 0.880 nan 8.250 nan 0.000 0.500 1031 D N -2.865 117.584 120.400 0.083 0.000 2.792 1031 D HA 0.107 4.747 4.640 -0.000 0.000 0.335 1031 D C 0.337 176.642 176.300 0.008 0.000 1.353 1031 D CA -0.733 53.290 54.000 0.038 0.000 0.839 1031 D CB 0.222 41.033 40.800 0.018 0.000 1.396 1031 D HN -0.304 nan 8.370 nan 0.000 0.479 1032 L N 0.227 121.440 121.223 -0.017 0.000 2.179 1032 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 1032 L C 1.379 178.202 176.870 -0.079 0.000 1.096 1032 L CA 1.510 56.318 54.840 -0.054 0.000 0.779 1032 L CB -0.915 41.120 42.059 -0.040 0.000 0.922 1032 L HN 0.482 nan 8.230 nan 0.000 0.443 1033 D N -0.436 119.934 120.400 -0.050 0.000 2.092 1033 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 1033 D C 2.106 178.358 176.300 -0.081 0.000 0.994 1033 D CA 1.465 55.434 54.000 -0.050 0.000 0.828 1033 D CB 0.011 40.796 40.800 -0.025 0.000 0.963 1033 D HN 0.415 nan 8.370 nan 0.000 0.450 1034 E N -0.220 119.936 120.200 -0.074 0.000 2.012 1034 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 1034 E C 2.103 178.503 176.600 -0.334 0.000 1.007 1034 E CA 2.103 58.444 56.400 -0.100 0.000 0.816 1034 E CB -0.131 29.581 29.700 0.021 0.000 0.762 1034 E HN 0.350 nan 8.360 nan 0.000 0.451 1035 T N -0.342 113.895 114.554 -0.528 0.000 2.803 1035 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 1035 T C 2.028 176.407 174.700 -0.535 0.000 1.052 1035 T CA 1.304 62.801 62.100 -1.005 0.000 1.136 1035 T CB -0.282 68.207 68.868 -0.631 0.000 0.864 1035 T HN 0.026 nan 8.240 nan 0.000 0.467 1036 R N 0.942 121.263 120.500 -0.297 0.000 2.062 1036 R HA 0.060 4.400 4.340 -0.000 0.000 0.231 1036 R C 2.612 178.830 176.300 -0.137 0.000 1.136 1036 R CA 1.147 57.137 56.100 -0.184 0.000 0.948 1036 R CB -0.638 29.596 30.300 -0.110 0.000 0.845 1036 R HN 0.264 nan 8.270 nan 0.000 0.430 1037 R N 0.460 120.885 120.500 -0.123 0.000 2.148 1037 R HA 0.021 4.361 4.340 -0.000 0.000 0.227 1037 R C 1.952 178.209 176.300 -0.072 0.000 1.103 1037 R CA 1.274 57.332 56.100 -0.070 0.000 0.983 1037 R CB -0.586 29.686 30.300 -0.047 0.000 0.874 1037 R HN 0.341 nan 8.270 nan 0.000 0.451 1038 A N 1.396 124.125 122.820 -0.152 0.000 1.832 1038 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 1038 A C 2.106 179.652 177.584 -0.064 0.000 1.204 1038 A CA 1.254 53.228 52.037 -0.105 0.000 0.606 1038 A CB -0.663 18.224 19.000 -0.188 0.000 0.849 1038 A HN 0.404 nan 8.150 nan 0.000 0.445 1039 I N -2.221 118.267 120.570 -0.136 0.000 3.010 1039 I HA -0.105 4.065 4.170 -0.000 0.000 0.271 1039 I C 1.781 177.929 176.117 0.051 0.000 1.293 1039 I CA 2.125 63.400 61.300 -0.042 0.000 1.452 1039 I CB -0.282 37.641 38.000 -0.129 0.000 1.082 1039 I HN 0.492 nan 8.210 nan 0.000 0.484 1040 E N 1.706 121.925 120.200 0.031 0.000 2.086 1040 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 1040 E C 2.356 178.988 176.600 0.053 0.000 0.975 1040 E CA 1.010 57.461 56.400 0.085 0.000 0.813 1040 E CB -0.009 29.721 29.700 0.050 0.000 0.768 1040 E HN 0.606 nan 8.360 nan 0.000 0.457 1041 A N 0.724 123.562 122.820 0.030 0.000 1.929 1041 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1041 A C 2.278 179.879 177.584 0.029 0.000 1.176 1041 A CA 1.598 53.653 52.037 0.030 0.000 0.628 1041 A CB -0.698 18.322 19.000 0.033 0.000 0.816 1041 A HN 0.399 nan 8.150 nan 0.000 0.444 1042 S N -1.214 114.508 115.700 0.037 0.000 2.419 1042 S HA 0.161 4.631 4.470 -0.000 0.000 0.235 1042 S C 1.721 176.328 174.600 0.013 0.000 1.019 1042 S CA 1.565 59.784 58.200 0.032 0.000 0.982 1042 S CB -0.861 62.367 63.200 0.047 0.000 0.789 1042 S HN 2.007 nan 8.310 nan 0.000 0.490 1043 G N 0.971 109.789 108.800 0.030 0.000 2.159 1043 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.256 1043 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.256 1043 G C 0.273 175.194 174.900 0.035 0.000 0.977 1043 G CA 0.186 45.295 45.100 0.014 0.000 0.652 1043 G HN 1.410 nan 8.290 nan 0.000 0.531 1044 A N -0.363 122.502 122.820 0.074 0.000 2.483 1044 A HA 0.593 4.913 4.320 -0.000 0.000 0.238 1044 A C 1.033 178.709 177.584 0.153 0.000 1.070 1044 A CA 1.365 53.456 52.037 0.091 0.000 0.770 1044 A CB 0.275 19.330 19.000 0.092 0.000 1.008 1044 A HN 0.517 nan 8.150 nan 0.000 0.497 1045 E N 0.627 120.896 120.200 0.115 0.000 2.330 1045 E HA 0.211 4.561 4.350 -0.000 0.000 0.200 1045 E C -0.429 176.272 176.600 0.169 0.000 0.922 1045 E CA 0.238 56.713 56.400 0.126 0.000 0.935 1045 E CB 0.312 30.116 29.700 0.173 0.000 0.917 1045 E HN 0.726 nan 8.360 nan 0.000 0.491 1046 I N 1.924 122.526 120.570 0.054 0.000 2.362 1046 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 1046 I C -0.832 175.301 176.117 0.027 0.000 0.994 1046 I CA -0.864 60.431 61.300 -0.009 0.000 1.158 1046 I CB 2.110 39.999 38.000 -0.185 0.000 1.315 1046 I HN -0.185 nan 8.210 nan 0.000 0.451 1047 V N 5.378 125.310 119.914 0.028 0.000 2.531 1047 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 1047 V C -0.313 175.760 176.094 -0.034 0.000 1.034 1047 V CA -0.069 62.217 62.300 -0.023 0.000 0.865 1047 V CB 1.980 33.740 31.823 -0.104 0.000 0.995 1047 V HN 0.797 nan 8.190 nan 0.000 0.424 1048 T N 5.111 119.644 114.554 -0.036 0.000 2.882 1048 T HA 0.625 4.975 4.350 -0.000 0.000 0.287 1048 T C -0.813 173.863 174.700 -0.040 0.000 0.992 1048 T CA 0.026 62.102 62.100 -0.038 0.000 1.076 1048 T CB 1.282 70.120 68.868 -0.049 0.000 0.961 1048 T HN 1.258 nan 8.240 nan 0.000 0.490 1049 V N 3.876 123.768 119.914 -0.037 0.000 2.789 1049 V HA 0.807 4.927 4.120 -0.000 0.000 0.311 1049 V C -0.229 175.841 176.094 -0.040 0.000 1.073 1049 V CA -0.773 61.506 62.300 -0.034 0.000 0.921 1049 V CB 1.749 33.556 31.823 -0.026 0.000 1.009 1049 V HN 1.150 nan 8.190 nan 0.000 0.426 1050 A N 5.495 128.288 122.820 -0.045 0.000 2.671 1050 A HA 0.431 4.751 4.320 -0.000 0.000 0.306 1050 A C 1.120 178.680 177.584 -0.040 0.000 1.473 1050 A CA 0.178 52.182 52.037 -0.055 0.000 1.155 1050 A CB 0.067 19.028 19.000 -0.064 0.000 1.123 1050 A HN 1.219 nan 8.150 nan 0.000 0.545 1051 V N 3.453 123.346 119.914 -0.035 0.000 2.277 1051 V HA -0.334 3.785 4.120 -0.000 0.000 0.253 1051 V C 2.445 178.525 176.094 -0.024 0.000 1.067 1051 V CA 2.491 64.778 62.300 -0.021 0.000 1.047 1051 V CB -0.723 31.091 31.823 -0.016 0.000 0.649 1051 V HN 0.880 nan 8.190 nan 0.000 0.447 1052 R N 0.289 120.766 120.500 -0.038 0.000 2.339 1052 R HA -0.012 4.328 4.340 -0.000 0.000 0.199 1052 R C 1.313 177.596 176.300 -0.028 0.000 1.018 1052 R CA 0.799 56.877 56.100 -0.036 0.000 1.036 1052 R CB -0.132 30.134 30.300 -0.056 0.000 0.899 1052 R HN 0.717 nan 8.270 nan 0.000 0.473 1053 R N -1.710 118.775 120.500 -0.026 0.000 2.493 1053 R HA 0.165 4.505 4.340 -0.000 0.000 0.404 1053 R C -1.112 175.181 176.300 -0.013 0.000 0.834 1053 R CA -0.322 55.767 56.100 -0.018 0.000 1.056 1053 R CB 0.500 30.787 30.300 -0.023 0.000 1.620 1053 R HN -0.196 nan 8.270 nan 0.000 0.570 1054 T N 0.404 114.951 114.554 -0.011 0.000 4.054 1054 T HA 0.230 4.580 4.350 -0.000 0.000 0.353 1054 T C -1.660 173.037 174.700 -0.006 0.000 0.979 1054 T CA -0.610 61.486 62.100 -0.007 0.000 1.047 1054 T CB 1.581 70.444 68.868 -0.009 0.000 1.121 1054 T HN 0.235 nan 8.240 nan 0.000 0.469 1070 P HA 0.097 nan 4.420 nan 0.000 0.253 1070 P C -1.920 175.502 177.300 0.205 0.000 1.170 1070 P CA -0.453 62.734 63.100 0.144 0.000 0.806 1070 P CB 0.033 31.833 31.700 0.167 0.000 0.775 1071 P HA -0.044 nan 4.420 nan 0.000 0.249 1071 P C 0.006 177.373 177.300 0.112 0.000 1.241 1071 P CA 0.821 64.000 63.100 0.132 0.000 0.781 1071 P CB 0.504 32.267 31.700 0.105 0.000 1.088 1072 D N -0.473 119.987 120.400 0.099 0.000 2.398 1072 D HA 0.098 4.738 4.640 -0.000 0.000 0.210 1072 D C 1.652 177.972 176.300 0.033 0.000 1.094 1072 D CA 0.097 54.133 54.000 0.060 0.000 0.839 1072 D CB 0.639 41.468 40.800 0.048 0.000 0.963 1072 D HN 0.234 nan 8.370 nan 0.000 0.506 1073 R N -0.467 120.066 120.500 0.055 0.000 2.383 1073 R HA 0.141 4.481 4.340 -0.000 0.000 0.205 1073 R C 0.014 176.171 176.300 -0.238 0.000 0.875 1073 R CA 0.225 56.272 56.100 -0.089 0.000 1.039 1073 R CB 0.821 31.087 30.300 -0.056 0.000 1.267 1073 R HN 0.095 nan 8.270 nan 0.000 0.635 1074 Y N 0.418 120.735 120.300 0.027 0.000 2.524 1074 Y HA 0.359 4.909 4.550 -0.000 0.000 0.344 1074 Y C 0.112 176.032 175.900 0.035 0.000 1.012 1074 Y CA -0.826 57.295 58.100 0.034 0.000 1.068 1074 Y CB 1.753 40.223 38.460 0.016 0.000 1.249 1074 Y HN -0.294 nan 8.280 nan 0.000 0.468 1075 T N 3.816 118.501 114.554 0.220 0.000 2.728 1075 T HA 0.319 4.669 4.350 -0.000 0.000 0.296 1075 T C -0.589 174.163 174.700 0.086 0.000 0.940 1075 T CA -0.208 61.971 62.100 0.131 0.000 1.013 1075 T CB -0.030 68.950 68.868 0.188 0.000 0.912 1075 T HN 0.388 nan 8.240 nan 0.000 0.484 1076 I N 4.572 125.169 120.570 0.045 0.000 2.365 1076 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 1076 I C -0.778 175.345 176.117 0.010 0.000 1.004 1076 I CA -1.223 60.093 61.300 0.026 0.000 1.311 1076 I CB 0.853 38.872 38.000 0.031 0.000 1.401 1076 I HN 0.436 nan 8.210 nan 0.000 0.491 1077 L N 10.940 132.163 121.223 -0.000 0.000 2.321 1077 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 1077 L C -2.325 174.544 176.870 -0.002 0.000 1.050 1077 L CA -2.039 52.800 54.840 -0.002 0.000 0.893 1077 L CB 0.480 42.528 42.059 -0.019 0.000 1.272 1077 L HN 0.474 nan 8.230 nan 0.000 0.435 1078 P HA 0.080 nan 4.420 nan 0.000 0.271 1078 P C -1.122 176.170 177.300 -0.014 0.000 1.226 1078 P CA 0.067 63.172 63.100 0.009 0.000 0.765 1078 P CB 0.537 32.261 31.700 0.041 0.000 0.835 1079 N N 1.987 120.663 118.700 -0.040 0.000 2.319 1079 N HA 0.131 4.871 4.740 -0.000 0.000 0.305 1079 N C 0.261 175.722 175.510 -0.081 0.000 1.103 1079 N CA -0.612 52.399 53.050 -0.065 0.000 0.815 1079 N CB 1.415 39.850 38.487 -0.087 0.000 1.288 1079 N HN 0.211 nan 8.380 nan 0.000 0.493 1080 T N -1.227 113.269 114.554 -0.097 0.000 3.565 1080 T HA 0.271 4.621 4.350 -0.000 0.000 0.248 1080 T C 0.821 175.433 174.700 -0.147 0.000 1.033 1080 T CA -0.536 61.496 62.100 -0.113 0.000 0.952 1080 T CB -1.023 67.774 68.868 -0.119 0.000 1.072 1080 T HN 0.684 nan 8.240 nan 0.000 0.609 1081 A N 0.223 122.955 122.820 -0.147 0.000 2.567 1081 A HA 0.504 4.824 4.320 -0.000 0.000 0.240 1081 A C 1.661 179.127 177.584 -0.197 0.000 1.053 1081 A CA 0.307 52.237 52.037 -0.177 0.000 0.755 1081 A CB -0.951 17.957 19.000 -0.153 0.000 0.978 1081 A HN 1.558 nan 8.150 nan 0.000 0.507 1082 G N 0.777 109.400 108.800 -0.296 0.000 2.253 1082 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.209 1082 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.209 1082 G C 0.388 174.901 174.900 -0.645 0.000 0.997 1082 G CA -0.025 44.853 45.100 -0.370 0.000 0.640 1082 G HN 1.121 nan 8.290 nan 0.000 0.496 1083 C N 0.400 119.394 119.300 -0.511 0.000 2.539 1083 C HA 0.678 5.138 4.460 -0.000 0.000 0.392 1083 C C 1.036 175.664 174.990 -0.602 0.000 1.269 1083 C CA 0.401 59.160 59.018 -0.433 0.000 2.250 1083 C CB -0.121 27.495 27.740 -0.205 0.000 2.584 1083 C HN 0.413 nan 8.230 nan 0.000 0.589 1084 Y N -0.817 119.483 120.300 0.000 0.000 2.563 1084 Y HA 0.257 4.807 4.550 -0.000 0.000 0.250 1084 Y C 0.454 176.359 175.900 0.009 0.000 1.126 1084 Y CA -0.229 57.876 58.100 0.009 0.000 1.231 1084 Y CB 0.061 38.528 38.460 0.011 0.000 1.288 1084 Y HN 0.598 nan 8.280 nan 0.000 0.537 1085 D N -1.151 119.310 120.400 0.102 0.000 2.493 1085 D HA 0.514 5.154 4.640 -0.000 0.000 0.239 1085 D C 0.814 177.126 176.300 0.019 0.000 1.049 1085 D CA -0.129 53.909 54.000 0.063 0.000 1.008 1085 D CB 1.803 42.637 40.800 0.055 0.000 1.398 1085 D HN -0.020 nan 8.370 nan 0.000 0.513 1086 A N 0.151 122.979 122.820 0.013 0.000 1.930 1086 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 1086 A C 1.970 179.544 177.584 -0.017 0.000 1.176 1086 A CA 0.940 52.972 52.037 -0.009 0.000 0.632 1086 A CB -0.547 18.450 19.000 -0.004 0.000 0.819 1086 A HN 0.333 nan 8.150 nan 0.000 0.445 1087 V N 0.475 120.388 119.914 -0.001 0.000 2.392 1087 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 1087 V C 2.237 178.327 176.094 -0.008 0.000 1.059 1087 V CA 2.749 65.049 62.300 -0.000 0.000 1.051 1087 V CB -0.526 31.304 31.823 0.011 0.000 0.658 1087 V HN 0.726 nan 8.190 nan 0.000 0.455 1088 E N 0.127 120.322 120.200 -0.007 0.000 2.046 1088 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 1088 E C 2.316 178.887 176.600 -0.049 0.000 0.982 1088 E CA 1.119 57.508 56.400 -0.019 0.000 0.800 1088 E CB -0.396 29.296 29.700 -0.013 0.000 0.756 1088 E HN 0.660 nan 8.360 nan 0.000 0.449 1089 A N 1.313 124.095 122.820 -0.064 0.000 1.908 1089 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 1089 A C 2.528 180.041 177.584 -0.119 0.000 1.181 1089 A CA 1.254 53.233 52.037 -0.096 0.000 0.627 1089 A CB -0.758 18.186 19.000 -0.093 0.000 0.818 1089 A HN 0.115 nan 8.150 nan 0.000 0.445 1090 V N -0.426 119.427 119.914 -0.102 0.000 2.490 1090 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 1090 V C 2.618 178.672 176.094 -0.068 0.000 1.061 1090 V CA 2.304 64.533 62.300 -0.118 0.000 1.064 1090 V CB -0.767 31.018 31.823 -0.063 0.000 0.670 1090 V HN 0.611 nan 8.190 nan 0.000 0.461 1091 R N -0.209 120.271 120.500 -0.034 0.000 2.073 1091 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 1091 R C 2.438 178.737 176.300 -0.002 0.000 1.120 1091 R CA 1.792 57.891 56.100 -0.002 0.000 0.967 1091 R CB -0.447 29.854 30.300 0.002 0.000 0.862 1091 R HN 0.524 nan 8.270 nan 0.000 0.436 1092 T N -0.270 114.266 114.554 -0.029 0.000 2.720 1092 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 1092 T C 1.956 176.648 174.700 -0.014 0.000 1.037 1092 T CA 1.421 63.505 62.100 -0.027 0.000 1.144 1092 T CB -0.434 68.402 68.868 -0.054 0.000 0.864 1092 T HN 0.369 nan 8.240 nan 0.000 0.444 1093 C N 1.070 120.332 119.300 -0.065 0.000 2.425 1093 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 1093 C C 2.918 178.025 174.990 0.195 0.000 1.280 1093 C CA 0.425 59.400 59.018 -0.072 0.000 1.744 1093 C CB -0.955 26.485 27.740 -0.500 0.000 1.989 1093 C HN 0.527 nan 8.230 nan 0.000 0.491 1094 R N 0.051 120.674 120.500 0.205 0.000 2.075 1094 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 1094 R C 1.672 178.065 176.300 0.156 0.000 1.126 1094 R CA 1.087 57.360 56.100 0.288 0.000 0.963 1094 R CB -0.323 30.094 30.300 0.194 0.000 0.858 1094 R HN 0.338 nan 8.270 nan 0.000 0.435 1095 L N -0.175 121.105 121.223 0.095 0.000 2.551 1095 L HA 0.022 4.362 4.340 -0.000 0.000 0.228 1095 L C 1.819 178.725 176.870 0.061 0.000 1.153 1095 L CA 1.101 55.977 54.840 0.061 0.000 0.851 1095 L CB -0.229 41.851 42.059 0.036 0.000 0.959 1095 L HN 0.164 nan 8.230 nan 0.000 0.451 1096 A N -1.564 121.308 122.820 0.087 0.000 2.140 1096 A HA 0.053 4.373 4.320 -0.000 0.000 0.209 1096 A C 2.368 180.019 177.584 0.111 0.000 1.181 1096 A CA -0.021 52.066 52.037 0.083 0.000 0.824 1096 A CB -0.150 18.894 19.000 0.074 0.000 0.879 1096 A HN 0.187 nan 8.150 nan 0.000 0.480 1097 R N 0.967 121.560 120.500 0.154 0.000 2.148 1097 R HA -0.119 4.221 4.340 -0.000 0.000 0.223 1097 R C 1.660 177.981 176.300 0.035 0.000 1.088 1097 R CA 1.716 57.890 56.100 0.124 0.000 0.985 1097 R CB -0.054 30.319 30.300 0.121 0.000 0.880 1097 R HN 0.818 nan 8.270 nan 0.000 0.451 1098 E N -0.527 119.693 120.200 0.034 0.000 2.400 1098 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 1098 E C 1.775 178.375 176.600 0.001 0.000 1.012 1098 E CA 0.107 56.508 56.400 0.001 0.000 0.875 1098 E CB -0.049 29.653 29.700 0.004 0.000 0.859 1098 E HN 0.277 nan 8.360 nan 0.000 0.498 1099 L N 0.576 121.811 121.223 0.021 0.000 2.341 1099 L HA 0.105 4.445 4.340 -0.000 0.000 0.214 1099 L C 1.744 178.628 176.870 0.022 0.000 1.115 1099 L CA 0.442 55.294 54.840 0.019 0.000 0.820 1099 L CB 0.089 42.164 42.059 0.028 0.000 0.944 1099 L HN 0.202 nan 8.230 nan 0.000 0.452 1100 L N -0.600 120.643 121.223 0.033 0.000 2.791 1100 L HA 0.150 4.490 4.340 -0.000 0.000 0.239 1100 L C -0.406 176.414 176.870 -0.084 0.000 1.203 1100 L CA -0.256 54.620 54.840 0.060 0.000 1.002 1100 L CB -0.123 42.038 42.059 0.169 0.000 1.295 1100 L HN 0.173 nan 8.230 nan 0.000 0.504 1101 D N 1.582 121.916 120.400 -0.110 0.000 2.927 1101 D HA -0.169 4.471 4.640 -0.000 0.000 0.236 1101 D C 1.168 177.283 176.300 -0.308 0.000 1.163 1101 D CA 1.055 54.939 54.000 -0.193 0.000 0.801 1101 D CB -0.842 39.833 40.800 -0.208 0.000 0.975 1101 D HN 0.656 nan 8.370 nan 0.000 0.413 1102 G N 0.969 109.661 108.800 -0.180 0.000 2.321 1102 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.287 1102 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.287 1102 G C 0.143 174.963 174.900 -0.134 0.000 1.018 1102 G CA 0.350 45.354 45.100 -0.159 0.000 0.855 1102 G HN 0.712 nan 8.290 nan 0.000 0.507 1103 H N 0.219 119.279 119.070 -0.016 0.000 2.668 1103 H HA 0.241 4.797 4.556 -0.000 0.000 0.303 1103 H C 1.322 176.654 175.328 0.007 0.000 1.074 1103 H CA -0.716 55.333 56.048 0.002 0.000 1.406 1103 H CB 0.976 30.757 29.762 0.031 0.000 1.442 1103 H HN 0.167 nan 8.280 nan 0.000 0.482 1104 N N 2.692 121.466 118.700 0.125 0.000 2.467 1104 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 1104 N C 0.410 176.041 175.510 0.203 0.000 1.106 1104 N CA 0.049 53.144 53.050 0.075 0.000 0.892 1104 N CB 0.462 38.940 38.487 -0.014 0.000 0.969 1104 N HN 0.358 nan 8.380 nan 0.000 0.454 1105 L N 1.749 123.065 121.223 0.155 0.000 2.433 1105 L HA 0.137 4.477 4.340 -0.000 0.000 0.275 1105 L C -0.530 176.421 176.870 0.136 0.000 1.128 1105 L CA 0.148 55.061 54.840 0.121 0.000 0.875 1105 L CB 0.374 42.467 42.059 0.056 0.000 1.171 1105 L HN -0.251 nan 8.230 nan 0.000 0.463 1106 V N 4.858 124.847 119.914 0.125 0.000 2.925 1106 V HA 0.391 4.511 4.120 -0.000 0.000 0.311 1106 V C -0.448 175.656 176.094 0.018 0.000 1.104 1106 V CA -1.133 61.209 62.300 0.070 0.000 0.954 1106 V CB 2.090 33.943 31.823 0.049 0.000 1.022 1106 V HN 0.654 nan 8.190 nan 0.000 0.427 1107 K N 4.295 124.689 120.400 -0.009 0.000 2.299 1107 K HA 0.475 4.795 4.320 -0.000 0.000 0.268 1107 K C -0.691 175.886 176.600 -0.039 0.000 1.075 1107 K CA -0.456 55.820 56.287 -0.017 0.000 0.936 1107 K CB 0.777 33.259 32.500 -0.029 0.000 1.228 1107 K HN 0.689 nan 8.250 nan 0.000 0.454 1108 L N 3.817 125.019 121.223 -0.035 0.000 2.410 1108 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 1108 L C -0.416 176.451 176.870 -0.004 0.000 1.152 1108 L CA 0.573 55.383 54.840 -0.050 0.000 0.855 1108 L CB 0.567 42.595 42.059 -0.052 0.000 1.129 1108 L HN 0.858 nan 8.230 nan 0.000 0.463 1109 E N 4.436 124.619 120.200 -0.028 0.000 2.908 1109 E HA 0.218 4.568 4.350 -0.000 0.000 0.291 1109 E C -1.650 174.937 176.600 -0.021 0.000 1.154 1109 E CA -0.461 55.941 56.400 0.004 0.000 0.784 1109 E CB 1.152 30.789 29.700 -0.106 0.000 1.500 1109 E HN 0.417 nan 8.360 nan 0.000 0.382 1110 V N 5.045 124.971 119.914 0.021 0.000 2.353 1110 V HA 0.315 4.435 4.120 -0.000 0.000 0.264 1110 V C 0.558 176.694 176.094 0.070 0.000 1.049 1110 V CA -0.397 61.907 62.300 0.007 0.000 0.896 1110 V CB 0.470 32.303 31.823 0.016 0.000 1.025 1110 V HN 0.576 nan 8.190 nan 0.000 0.475 1111 L N 3.192 124.454 121.223 0.065 0.000 2.431 1111 L HA 0.557 4.897 4.340 -0.000 0.000 0.260 1111 L C 1.546 178.595 176.870 0.297 0.000 1.098 1111 L CA -0.222 54.724 54.840 0.176 0.000 0.800 1111 L CB 1.251 43.407 42.059 0.162 0.000 1.210 1111 L HN 0.662 nan 8.230 nan 0.000 0.465 1112 A N 0.562 123.544 122.820 0.270 0.000 1.862 1112 A HA 0.036 4.356 4.320 -0.000 0.000 0.211 1112 A C 0.029 177.696 177.584 0.138 0.000 1.220 1112 A CA 1.153 53.317 52.037 0.212 0.000 0.616 1112 A CB -0.059 19.059 19.000 0.198 0.000 0.878 1112 A HN 0.841 nan 8.150 nan 0.000 0.453 1113 D N -2.945 117.534 120.400 0.131 0.000 2.655 1113 D HA 0.208 4.848 4.640 -0.000 0.000 0.229 1113 D C 0.348 176.697 176.300 0.082 0.000 1.229 1113 D CA -0.262 53.725 54.000 -0.021 0.000 0.807 1113 D CB 0.374 41.147 40.800 -0.044 0.000 1.514 1113 D HN 0.044 nan 8.370 nan 0.000 0.444 1114 Q N 1.086 120.897 119.800 0.019 0.000 2.443 1114 Q HA -0.201 4.139 4.340 -0.000 0.000 0.213 1114 Q C 0.891 176.930 176.000 0.065 0.000 0.982 1114 Q CA 1.422 57.283 55.803 0.097 0.000 0.894 1114 Q CB -0.237 28.537 28.738 0.061 0.000 0.947 1114 Q HN 0.714 nan 8.270 nan 0.000 0.480 1115 K N 0.904 121.331 120.400 0.044 0.000 2.017 1115 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 1115 K C 2.007 178.647 176.600 0.066 0.000 1.035 1115 K CA 1.686 57.998 56.287 0.041 0.000 0.947 1115 K CB -0.088 32.424 32.500 0.021 0.000 0.749 1115 K HN 0.360 nan 8.250 nan 0.000 0.443 1116 T N -0.486 114.121 114.554 0.089 0.000 3.023 1116 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 1116 T C 1.146 175.957 174.700 0.185 0.000 1.093 1116 T CA 0.622 62.802 62.100 0.133 0.000 1.129 1116 T CB -0.373 68.581 68.868 0.144 0.000 0.899 1116 T HN 0.406 nan 8.240 nan 0.000 0.491 1117 L N 0.029 121.357 121.223 0.175 0.000 3.839 1117 L HA -0.155 4.185 4.340 -0.000 0.000 0.416 1117 L C 0.012 177.008 176.870 0.210 0.000 1.195 1117 L CA -0.166 54.774 54.840 0.166 0.000 0.946 1117 L CB -2.094 40.021 42.059 0.094 0.000 1.891 1117 L HN 0.416 nan 8.230 nan 0.000 0.963 1118 F N 3.187 123.207 119.950 0.117 0.000 2.394 1118 F HA 0.525 5.052 4.527 -0.000 0.000 0.340 1118 F C -1.409 174.466 175.800 0.125 0.000 1.105 1118 F CA -2.257 55.811 58.000 0.113 0.000 1.124 1118 F CB 1.062 40.097 39.000 0.059 0.000 1.145 1118 F HN -0.189 nan 8.300 nan 0.000 0.505 1119 P HA -0.083 nan 4.420 nan 0.000 0.266 1119 P C -1.084 176.272 177.300 0.093 0.000 1.195 1119 P CA 0.018 63.053 63.100 -0.108 0.000 0.768 1119 P CB 0.567 32.008 31.700 -0.433 0.000 0.838 1120 N N 3.022 121.785 118.700 0.105 0.000 2.678 1120 N HA 0.061 4.801 4.740 -0.000 0.000 0.231 1120 N C 1.144 176.691 175.510 0.062 0.000 1.038 1120 N CA -0.341 52.779 53.050 0.118 0.000 0.932 1120 N CB 0.353 38.909 38.487 0.115 0.000 1.176 1120 N HN 0.127 nan 8.380 nan 0.000 0.511 1121 V N 1.949 121.896 119.914 0.054 0.000 2.688 1121 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 1121 V C 1.664 177.769 176.094 0.019 0.000 1.084 1121 V CA 1.336 63.645 62.300 0.016 0.000 1.103 1121 V CB -0.696 31.137 31.823 0.016 0.000 0.688 1121 V HN 0.303 nan 8.190 nan 0.000 0.480 1122 V N -0.076 119.858 119.914 0.033 0.000 2.379 1122 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 1122 V C 2.863 178.970 176.094 0.022 0.000 1.044 1122 V CA 1.940 64.255 62.300 0.025 0.000 1.036 1122 V CB -0.759 31.081 31.823 0.028 0.000 0.664 1122 V HN 0.483 nan 8.190 nan 0.000 0.453 1123 E N 0.430 120.648 120.200 0.030 0.000 2.152 1123 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 1123 E C 2.369 178.976 176.600 0.013 0.000 0.983 1123 E CA 1.549 57.965 56.400 0.026 0.000 0.818 1123 E CB -0.458 29.268 29.700 0.044 0.000 0.758 1123 E HN 0.593 nan 8.360 nan 0.000 0.467 1124 T N 1.726 116.286 114.554 0.010 0.000 2.821 1124 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 1124 T C 1.789 176.483 174.700 -0.010 0.000 1.046 1124 T CA 0.530 62.628 62.100 -0.004 0.000 1.139 1124 T CB -0.088 68.773 68.868 -0.012 0.000 0.871 1124 T HN 0.001 nan 8.240 nan 0.000 0.454 1125 L N 1.117 122.337 121.223 -0.004 0.000 2.056 1125 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 1125 L C 2.377 179.246 176.870 -0.002 0.000 1.078 1125 L CA 1.596 56.434 54.840 -0.003 0.000 0.749 1125 L CB -0.778 41.282 42.059 0.002 0.000 0.901 1125 L HN 0.077 nan 8.230 nan 0.000 0.433 1126 K N -0.627 119.774 120.400 0.001 0.000 1.991 1126 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 1126 K C 1.995 178.591 176.600 -0.007 0.000 1.049 1126 K CA 1.697 57.984 56.287 0.001 0.000 0.932 1126 K CB -0.433 32.070 32.500 0.006 0.000 0.717 1126 K HN 0.326 nan 8.250 nan 0.000 0.441 1127 A N 1.096 123.906 122.820 -0.017 0.000 1.933 1127 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 1127 A C 2.346 179.901 177.584 -0.048 0.000 1.175 1127 A CA 2.025 54.038 52.037 -0.039 0.000 0.628 1127 A CB -0.561 18.407 19.000 -0.055 0.000 0.814 1127 A HN 0.385 nan 8.150 nan 0.000 0.444 1128 A N -0.489 122.310 122.820 -0.034 0.000 1.940 1128 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 1128 A C 2.026 179.605 177.584 -0.008 0.000 1.176 1128 A CA 1.816 53.837 52.037 -0.028 0.000 0.631 1128 A CB -0.467 18.523 19.000 -0.016 0.000 0.814 1128 A HN 0.666 nan 8.150 nan 0.000 0.446 1129 E N -1.075 119.124 120.200 -0.001 0.000 2.072 1129 E HA -0.239 4.111 4.350 -0.000 0.000 0.190 1129 E C 2.233 178.846 176.600 0.022 0.000 0.982 1129 E CA 1.287 57.695 56.400 0.012 0.000 0.803 1129 E CB -0.087 29.620 29.700 0.011 0.000 0.755 1129 E HN 0.611 nan 8.360 nan 0.000 0.453 1130 Q N 0.779 120.587 119.800 0.012 0.000 2.050 1130 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 1130 Q C 2.124 178.157 176.000 0.054 0.000 0.980 1130 Q CA 1.506 57.325 55.803 0.026 0.000 0.840 1130 Q CB -0.289 28.453 28.738 0.008 0.000 0.898 1130 Q HN 0.337 nan 8.270 nan 0.000 0.424 1131 L N -0.834 120.393 121.223 0.006 0.000 2.083 1131 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1131 L C 2.287 179.286 176.870 0.215 0.000 1.083 1131 L CA 0.747 55.599 54.840 0.020 0.000 0.752 1131 L CB -0.472 41.438 42.059 -0.249 0.000 0.899 1131 L HN 0.117 nan 8.230 nan 0.000 0.433 1132 V N 0.765 120.749 119.914 0.117 0.000 2.358 1132 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 1132 V C 2.214 178.375 176.094 0.112 0.000 1.047 1132 V CA 2.070 64.441 62.300 0.118 0.000 1.035 1132 V CB -0.537 31.325 31.823 0.066 0.000 0.658 1132 V HN 0.594 nan 8.190 nan 0.000 0.452 1133 K N -0.542 119.914 120.400 0.092 0.000 2.522 1133 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 1133 K C 0.165 176.816 176.600 0.085 0.000 1.026 1133 K CA 0.911 57.240 56.287 0.071 0.000 1.119 1133 K CB 0.027 32.557 32.500 0.050 0.000 0.856 1133 K HN 0.290 nan 8.250 nan 0.000 0.513 1134 D N 0.343 120.831 120.400 0.148 0.000 2.501 1134 D HA 0.164 4.804 4.640 -0.000 0.000 0.224 1134 D C 0.562 176.886 176.300 0.040 0.000 1.202 1134 D CA 0.536 54.631 54.000 0.157 0.000 0.829 1134 D CB 0.959 41.954 40.800 0.325 0.000 1.023 1134 D HN 0.403 nan 8.370 nan 0.000 0.499 1135 G N 0.149 108.966 108.800 0.028 0.000 2.162 1135 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 1135 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 1135 G C 0.203 175.040 174.900 -0.106 0.000 0.976 1135 G CA -0.169 44.887 45.100 -0.074 0.000 0.655 1135 G HN 0.293 nan 8.290 nan 0.000 0.533 1136 F N 0.751 120.711 119.950 0.016 0.000 2.380 1136 F HA 0.513 5.040 4.527 0.000 0.000 0.325 1136 F C 0.537 176.348 175.800 0.018 0.000 1.136 1136 F CA -0.463 57.549 58.000 0.020 0.000 1.171 1136 F CB 0.857 39.867 39.000 0.017 0.000 1.230 1136 F HN -0.133 nan 8.300 nan 0.000 0.554 1137 D N 1.767 122.315 120.400 0.245 0.000 2.485 1137 D HA 0.284 4.924 4.640 -0.000 0.000 0.229 1137 D C -0.788 175.591 176.300 0.132 0.000 1.101 1137 D CA -0.017 54.066 54.000 0.139 0.000 0.906 1137 D CB 1.141 41.999 40.800 0.096 0.000 1.019 1137 D HN 0.027 nan 8.370 nan 0.000 0.516 1138 V N 2.968 122.943 119.914 0.102 0.000 2.432 1138 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 1138 V C 0.629 176.745 176.094 0.037 0.000 1.043 1138 V CA -0.387 61.946 62.300 0.054 0.000 0.925 1138 V CB 1.178 33.015 31.823 0.024 0.000 0.985 1138 V HN 0.347 nan 8.190 nan 0.000 0.466 1139 M N 5.328 124.945 119.600 0.028 0.000 2.072 1139 M HA 0.429 4.909 4.480 -0.000 0.000 0.331 1139 M C -0.784 175.531 176.300 0.026 0.000 1.004 1139 M CA -0.458 54.859 55.300 0.029 0.000 0.952 1139 M CB 1.830 34.447 32.600 0.029 0.000 1.511 1139 M HN 0.485 nan 8.290 nan 0.000 0.422 1140 V N 5.444 125.373 119.914 0.024 0.000 2.394 1140 V HA 0.329 4.449 4.120 -0.000 0.000 0.282 1140 V C -1.153 174.971 176.094 0.050 0.000 1.031 1140 V CA -0.429 61.887 62.300 0.026 0.000 0.881 1140 V CB 1.146 32.968 31.823 -0.001 0.000 0.982 1140 V HN 0.691 nan 8.190 nan 0.000 0.451 1141 Y N 6.090 126.350 120.300 -0.066 0.000 2.346 1141 Y HA 0.574 5.124 4.550 -0.000 0.000 0.330 1141 Y C 0.372 176.215 175.900 -0.095 0.000 1.178 1141 Y CA 1.068 59.117 58.100 -0.084 0.000 1.331 1141 Y CB 1.243 39.645 38.460 -0.097 0.000 1.253 1141 Y HN 0.851 nan 8.280 nan 0.000 0.529 1142 T N 2.864 116.976 114.554 -0.737 0.000 2.693 1142 T HA 0.474 4.824 4.350 -0.000 0.000 0.304 1142 T C -0.659 173.646 174.700 -0.658 0.000 1.471 1142 T CA -0.230 61.517 62.100 -0.588 0.000 0.993 1142 T CB 0.017 68.728 68.868 -0.262 0.000 1.554 1142 T HN 0.884 nan 8.240 nan 0.000 0.496 1143 S N 0.653 116.097 115.700 -0.427 0.000 2.625 1143 S HA 0.350 4.820 4.470 -0.000 0.000 0.262 1143 S C 0.228 174.737 174.600 -0.152 0.000 1.223 1143 S CA -0.078 57.940 58.200 -0.304 0.000 0.993 1143 S CB 0.055 63.229 63.200 -0.044 0.000 1.051 1143 S HN 0.694 nan 8.310 nan 0.000 0.562 1144 D N 0.179 120.555 120.400 -0.040 0.000 2.328 1144 D HA 0.176 4.816 4.640 -0.000 0.000 0.221 1144 D C -0.315 175.991 176.300 0.010 0.000 1.072 1144 D CA 0.141 54.133 54.000 -0.013 0.000 0.850 1144 D CB -0.383 40.432 40.800 0.024 0.000 0.922 1144 D HN 0.530 nan 8.370 nan 0.000 0.516 1145 D N 1.669 122.077 120.400 0.013 0.000 2.389 1145 D HA -0.037 4.603 4.640 -0.000 0.000 0.263 1145 D C -1.315 174.988 176.300 0.004 0.000 1.255 1145 D CA -1.244 52.768 54.000 0.019 0.000 0.914 1145 D CB 1.576 42.390 40.800 0.024 0.000 1.116 1145 D HN 0.064 nan 8.370 nan 0.000 0.502 1146 P HA -0.117 nan 4.420 nan 0.000 0.223 1146 P C 1.597 178.900 177.300 0.006 0.000 1.151 1146 P CA 0.695 63.800 63.100 0.008 0.000 0.787 1146 P CB 0.062 31.773 31.700 0.018 0.000 0.788 1147 I N -1.943 118.631 120.570 0.008 0.000 2.480 1147 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 1147 I C 2.198 178.316 176.117 0.002 0.000 1.124 1147 I CA 0.942 62.245 61.300 0.006 0.000 1.444 1147 I CB -1.434 36.571 38.000 0.008 0.000 1.098 1147 I HN -0.206 nan 8.210 nan 0.000 0.428 1148 I N 0.811 121.381 120.570 -0.000 0.000 2.546 1148 I HA 0.183 4.353 4.170 -0.000 0.000 0.255 1148 I C 2.340 178.449 176.117 -0.014 0.000 1.163 1148 I CA 1.262 62.559 61.300 -0.006 0.000 1.457 1148 I CB -1.328 36.667 38.000 -0.008 0.000 1.092 1148 I HN 0.134 nan 8.210 nan 0.000 0.434 1149 A N 0.780 123.590 122.820 -0.017 0.000 2.066 1149 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 1149 A C 2.501 180.079 177.584 -0.009 0.000 1.157 1149 A CA 1.223 53.247 52.037 -0.021 0.000 0.670 1149 A CB -0.633 18.352 19.000 -0.024 0.000 0.804 1149 A HN 0.464 nan 8.150 nan 0.000 0.453 1150 R N -0.516 119.982 120.500 -0.003 0.000 2.062 1150 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 1150 R C 2.288 178.590 176.300 0.003 0.000 1.125 1150 R CA 1.531 57.632 56.100 0.002 0.000 0.966 1150 R CB -0.254 30.050 30.300 0.005 0.000 0.861 1150 R HN 0.626 nan 8.270 nan 0.000 0.433 1151 Q N 0.054 119.855 119.800 0.002 0.000 2.170 1151 Q HA -0.131 4.209 4.340 -0.000 0.000 0.203 1151 Q C 2.114 178.115 176.000 0.002 0.000 0.976 1151 Q CA 1.230 57.035 55.803 0.003 0.000 0.858 1151 Q CB 0.017 28.757 28.738 0.002 0.000 0.907 1151 Q HN 0.370 nan 8.270 nan 0.000 0.433 1152 L N -0.158 121.063 121.223 -0.002 0.000 2.083 1152 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 1152 L C 2.348 179.221 176.870 0.003 0.000 1.083 1152 L CA 0.963 55.802 54.840 -0.003 0.000 0.752 1152 L CB -0.395 41.657 42.059 -0.012 0.000 0.899 1152 L HN 0.209 nan 8.230 nan 0.000 0.433 1153 A N -0.587 122.235 122.820 0.004 0.000 2.067 1153 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 1153 A C 2.095 179.686 177.584 0.011 0.000 1.156 1153 A CA 1.041 53.083 52.037 0.009 0.000 0.683 1153 A CB -0.221 18.784 19.000 0.009 0.000 0.808 1153 A HN 0.426 nan 8.150 nan 0.000 0.455 1154 E N -0.029 120.176 120.200 0.009 0.000 2.076 1154 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 1154 E C 1.725 178.332 176.600 0.012 0.000 0.979 1154 E CA 1.192 57.598 56.400 0.011 0.000 0.807 1154 E CB -0.295 29.410 29.700 0.009 0.000 0.761 1154 E HN 0.868 nan 8.360 nan 0.000 0.454 1155 I N -2.472 118.106 120.570 0.012 0.000 3.550 1155 I HA 0.236 4.406 4.170 -0.000 0.000 0.295 1155 I C 0.930 177.059 176.117 0.020 0.000 1.291 1155 I CA 0.528 61.837 61.300 0.015 0.000 1.298 1155 I CB -0.150 37.857 38.000 0.013 0.000 1.026 1155 I HN 0.133 nan 8.210 nan 0.000 0.491 1156 G N 0.515 109.326 108.800 0.020 0.000 2.436 1156 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.205 1156 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.205 1156 G C -0.035 174.880 174.900 0.024 0.000 1.188 1156 G CA -0.379 44.736 45.100 0.025 0.000 1.267 1156 G HN 0.501 nan 8.290 nan 0.000 0.536 1157 C N 0.623 119.942 119.300 0.031 0.000 1.269 1157 C HA -0.109 4.351 4.460 -0.000 0.000 0.191 1157 C C 2.124 177.130 174.990 0.027 0.000 0.636 1157 C CA -0.080 58.955 59.018 0.028 0.000 3.232 1157 C CB -1.812 25.939 27.740 0.018 0.000 2.126 1157 C HN 0.807 nan 8.230 nan 0.000 0.434 1158 I N 1.142 121.731 120.570 0.032 0.000 2.226 1158 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 1158 I C 1.527 177.659 176.117 0.025 0.000 1.100 1158 I CA 2.390 63.706 61.300 0.027 0.000 1.374 1158 I CB -1.149 36.869 38.000 0.030 0.000 1.057 1158 I HN 0.998 nan 8.210 nan 0.000 0.413 1159 A N 0.200 123.037 122.820 0.029 0.000 2.547 1159 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 1159 A C -0.983 176.617 177.584 0.025 0.000 1.056 1159 A CA -0.454 51.603 52.037 0.033 0.000 0.688 1159 A CB 1.688 20.718 19.000 0.050 0.000 1.282 1159 A HN -0.147 nan 8.150 nan 0.000 0.400 1160 V N 2.409 122.334 119.914 0.018 0.000 2.398 1160 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 1160 V C 0.007 176.102 176.094 0.002 0.000 1.026 1160 V CA -0.116 62.185 62.300 0.002 0.000 0.868 1160 V CB 1.204 33.022 31.823 -0.008 0.000 0.982 1160 V HN 0.855 nan 8.190 nan 0.000 0.443 1161 M N 7.210 126.809 119.600 -0.001 0.000 2.561 1161 M HA 0.325 4.805 4.480 -0.000 0.000 0.266 1161 M C -2.688 173.590 176.300 -0.037 0.000 1.080 1161 M CA -1.549 53.757 55.300 0.010 0.000 0.993 1161 M CB 1.255 33.895 32.600 0.065 0.000 1.303 1161 M HN 0.345 nan 8.290 nan 0.000 0.462 1162 P HA 0.105 nan 4.420 nan 0.000 0.269 1162 P C -0.578 176.658 177.300 -0.107 0.000 1.209 1162 P CA -0.367 62.649 63.100 -0.140 0.000 0.776 1162 P CB 0.525 32.171 31.700 -0.091 0.000 0.876 1163 L N 0.842 121.955 121.223 -0.184 0.000 2.476 1163 L HA 0.515 4.855 4.340 -0.000 0.000 0.255 1163 L C 1.389 178.248 176.870 -0.018 0.000 1.218 1163 L CA 0.193 55.009 54.840 -0.040 0.000 0.819 1163 L CB -1.325 40.686 42.059 -0.080 0.000 1.119 1163 L HN 0.432 nan 8.230 nan 0.000 0.485 1164 A N -0.057 122.772 122.820 0.015 0.000 1.944 1164 A HA 0.701 5.021 4.320 -0.000 0.000 0.207 1164 A C 1.002 178.600 177.584 0.023 0.000 1.265 1164 A CA 0.672 52.712 52.037 0.006 0.000 0.712 1164 A CB -0.579 18.421 19.000 -0.000 0.000 0.915 1164 A HN 1.054 nan 8.150 nan 0.000 0.470 1165 G N -1.528 107.294 108.800 0.037 0.000 2.682 1165 G HA2 0.507 4.467 3.960 -0.000 0.000 0.290 1165 G HA3 0.507 4.467 3.960 -0.000 0.000 0.290 1165 G C -0.808 174.137 174.900 0.075 0.000 1.425 1165 G CA -0.821 44.313 45.100 0.056 0.000 0.807 1165 G HN 0.224 nan 8.290 nan 0.000 0.482 1166 L N 0.451 121.736 121.223 0.102 0.000 2.499 1166 L HA 0.139 4.479 4.340 -0.000 0.000 0.281 1166 L C 0.686 177.594 176.870 0.064 0.000 1.234 1166 L CA -0.079 54.833 54.840 0.120 0.000 0.839 1166 L CB 0.424 42.568 42.059 0.141 0.000 1.104 1166 L HN 0.333 nan 8.230 nan 0.000 0.500 1167 I N 2.372 122.974 120.570 0.052 0.000 2.742 1167 I HA -0.084 4.086 4.170 -0.000 0.000 0.287 1167 I C 1.340 177.435 176.117 -0.038 0.000 1.186 1167 I CA 1.092 62.379 61.300 -0.021 0.000 1.417 1167 I CB 0.081 38.041 38.000 -0.066 0.000 1.377 1167 I HN 0.953 nan 8.210 nan 0.000 0.556 1168 G N 4.172 112.928 108.800 -0.073 0.000 2.168 1168 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.263 1168 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.263 1168 G C 0.992 175.865 174.900 -0.045 0.000 0.977 1168 G CA 0.720 45.762 45.100 -0.096 0.000 0.659 1168 G HN 0.762 nan 8.290 nan 0.000 0.533 1169 S N -0.357 115.335 115.700 -0.014 0.000 2.496 1169 S HA 0.384 4.854 4.470 -0.000 0.000 0.224 1169 S C 2.162 176.765 174.600 0.004 0.000 0.996 1169 S CA 1.239 59.444 58.200 0.008 0.000 0.927 1169 S CB -0.031 63.187 63.200 0.030 0.000 0.774 1169 S HN 2.278 nan 8.310 nan 0.000 0.524 1170 G N 1.300 110.095 108.800 -0.010 0.000 2.341 1170 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.292 1170 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.292 1170 G C 0.356 175.258 174.900 0.004 0.000 1.021 1170 G CA 0.749 45.845 45.100 -0.007 0.000 0.905 1170 G HN 0.570 nan 8.290 nan 0.000 0.508 1171 L N -0.583 120.645 121.223 0.009 0.000 2.513 1171 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 1171 L C 1.944 178.820 176.870 0.011 0.000 1.096 1171 L CA 0.676 55.525 54.840 0.015 0.000 0.857 1171 L CB -0.235 41.840 42.059 0.026 0.000 1.026 1171 L HN 1.025 nan 8.230 nan 0.000 0.469 1172 G N 0.820 109.624 108.800 0.005 0.000 2.642 1172 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.231 1172 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.231 1172 G C -0.159 174.741 174.900 0.001 0.000 1.338 1172 G CA -0.721 44.378 45.100 -0.001 0.000 0.883 1172 G HN -0.059 nan 8.290 nan 0.000 0.570 1173 I N 0.999 121.563 120.570 -0.010 0.000 2.578 1173 I HA 0.119 4.289 4.170 -0.000 0.000 0.286 1173 I C 1.541 177.655 176.117 -0.005 0.000 1.126 1173 I CA 0.088 61.379 61.300 -0.015 0.000 1.380 1173 I CB -0.145 37.832 38.000 -0.038 0.000 1.408 1173 I HN 0.583 nan 8.210 nan 0.000 0.532 1174 C N 4.764 124.074 119.300 0.016 0.000 2.735 1174 C HA 0.130 4.590 4.460 -0.000 0.000 0.271 1174 C C 1.322 176.344 174.990 0.053 0.000 1.281 1174 C CA 0.101 59.141 59.018 0.037 0.000 1.719 1174 C CB -0.751 27.023 27.740 0.057 0.000 2.024 1174 C HN 0.805 nan 8.230 nan 0.000 0.566 1175 N N 0.306 119.030 118.700 0.039 0.000 2.726 1175 N HA 0.166 4.906 4.740 -0.000 0.000 0.253 1175 N C -1.897 173.611 175.510 -0.004 0.000 1.530 1175 N CA -1.182 51.913 53.050 0.074 0.000 0.772 1175 N CB 0.864 39.413 38.487 0.103 0.000 1.220 1175 N HN 0.126 nan 8.380 nan 0.000 0.508 1176 P HA -0.127 nan 4.420 nan 0.000 0.222 1176 P C 0.806 177.958 177.300 -0.246 0.000 1.147 1176 P CA 0.996 63.951 63.100 -0.241 0.000 0.790 1176 P CB 0.279 31.762 31.700 -0.361 0.000 0.780 1177 Y N 1.195 121.501 120.300 0.010 0.000 2.089 1177 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 1177 Y C 2.466 178.371 175.900 0.009 0.000 1.139 1177 Y CA 1.739 59.845 58.100 0.010 0.000 1.123 1177 Y CB -1.907 36.559 38.460 0.010 0.000 0.980 1177 Y HN -0.055 nan 8.280 nan 0.000 0.493 1178 N N -0.222 118.580 118.700 0.170 0.000 2.166 1178 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 1178 N C 1.790 177.326 175.510 0.044 0.000 1.019 1178 N CA 0.695 53.799 53.050 0.091 0.000 0.856 1178 N CB -0.431 38.103 38.487 0.078 0.000 0.993 1178 N HN 0.169 nan 8.380 nan 0.000 0.426 1179 L N 0.890 122.125 121.223 0.020 0.000 2.083 1179 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 1179 L C 2.017 178.883 176.870 -0.008 0.000 1.083 1179 L CA 1.512 56.346 54.840 -0.010 0.000 0.752 1179 L CB -0.537 41.501 42.059 -0.035 0.000 0.899 1179 L HN 0.233 nan 8.230 nan 0.000 0.433 1180 R N -0.582 119.917 120.500 -0.001 0.000 2.075 1180 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 1180 R C 2.230 178.547 176.300 0.027 0.000 1.126 1180 R CA 1.194 57.300 56.100 0.011 0.000 0.963 1180 R CB -0.166 30.145 30.300 0.019 0.000 0.858 1180 R HN 0.334 nan 8.270 nan 0.000 0.435 1181 I N 0.539 121.133 120.570 0.039 0.000 2.142 1181 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 1181 I C 2.260 178.391 176.117 0.024 0.000 1.078 1181 I CA 1.419 62.741 61.300 0.036 0.000 1.343 1181 I CB -0.339 37.686 38.000 0.042 0.000 1.046 1181 I HN 0.137 nan 8.210 nan 0.000 0.405 1182 I N 0.628 121.208 120.570 0.016 0.000 2.194 1182 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 1182 I C 2.485 178.605 176.117 0.005 0.000 1.093 1182 I CA 1.622 62.925 61.300 0.006 0.000 1.355 1182 I CB -0.256 37.741 38.000 -0.005 0.000 1.046 1182 I HN 0.247 nan 8.210 nan 0.000 0.413 1183 L N -0.198 121.027 121.223 0.003 0.000 2.072 1183 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 1183 L C 2.499 179.382 176.870 0.021 0.000 1.079 1183 L CA 1.051 55.893 54.840 0.003 0.000 0.752 1183 L CB -0.536 41.516 42.059 -0.011 0.000 0.906 1183 L HN 0.141 nan 8.230 nan 0.000 0.436 1184 E N 0.703 120.920 120.200 0.028 0.000 2.118 1184 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 1184 E C 1.705 178.323 176.600 0.031 0.000 0.992 1184 E CA 1.437 57.859 56.400 0.036 0.000 0.804 1184 E CB -0.067 29.655 29.700 0.036 0.000 0.741 1184 E HN 0.640 nan 8.360 nan 0.000 0.458 1185 E N -0.588 119.627 120.200 0.024 0.000 2.481 1185 E HA 0.361 4.711 4.350 -0.000 0.000 0.198 1185 E C 0.002 176.613 176.600 0.019 0.000 1.027 1185 E CA 0.033 56.446 56.400 0.021 0.000 0.900 1185 E CB 0.479 30.191 29.700 0.019 0.000 0.993 1185 E HN 0.053 nan 8.360 nan 0.000 0.482 1186 A N 1.969 124.800 122.820 0.018 0.000 2.522 1186 A HA 0.041 4.361 4.320 -0.000 0.000 0.256 1186 A C 0.533 178.129 177.584 0.020 0.000 1.086 1186 A CA -0.027 52.019 52.037 0.016 0.000 0.763 1186 A CB 0.200 19.208 19.000 0.013 0.000 1.024 1186 A HN 0.207 nan 8.150 nan 0.000 0.502 1187 K N 1.245 121.656 120.400 0.018 0.000 2.358 1187 K HA 0.253 4.573 4.320 -0.000 0.000 0.197 1187 K C 0.028 176.640 176.600 0.020 0.000 1.025 1187 K CA 0.466 56.764 56.287 0.019 0.000 1.104 1187 K CB 0.289 32.798 32.500 0.016 0.000 0.855 1187 K HN 0.739 nan 8.250 nan 0.000 0.531 1188 V N -2.954 116.972 119.914 0.021 0.000 3.181 1188 V HA 0.543 4.663 4.120 -0.000 0.000 0.308 1188 V C -3.044 173.068 176.094 0.031 0.000 1.214 1188 V CA -3.037 59.277 62.300 0.023 0.000 1.053 1188 V CB 1.584 33.419 31.823 0.020 0.000 1.069 1188 V HN -0.213 nan 8.190 nan 0.000 0.441 1189 P HA 0.328 nan 4.420 nan 0.000 0.266 1189 P C -0.897 176.436 177.300 0.054 0.000 1.195 1189 P CA 0.121 63.261 63.100 0.067 0.000 0.768 1189 P CB 0.678 32.437 31.700 0.097 0.000 0.838 1190 V N 4.923 124.863 119.914 0.043 0.000 2.409 1190 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 1190 V C -0.173 175.925 176.094 0.006 0.000 1.020 1190 V CA -0.414 61.895 62.300 0.014 0.000 0.848 1190 V CB 1.313 33.130 31.823 -0.010 0.000 0.990 1190 V HN 0.318 nan 8.190 nan 0.000 0.430 1191 L N 5.208 126.437 121.223 0.009 0.000 2.349 1191 L HA 0.522 4.862 4.340 -0.000 0.000 0.278 1191 L C -0.130 176.732 176.870 -0.013 0.000 0.996 1191 L CA -0.254 54.582 54.840 -0.006 0.000 0.825 1191 L CB 2.067 44.139 42.059 0.021 0.000 1.243 1191 L HN 0.392 nan 8.230 nan 0.000 0.412 1192 V N 2.591 122.485 119.914 -0.033 0.000 2.439 1192 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 1192 V C -0.364 175.728 176.094 -0.004 0.000 1.040 1192 V CA 0.022 62.308 62.300 -0.023 0.000 1.002 1192 V CB 1.139 32.939 31.823 -0.038 0.000 1.000 1192 V HN 0.694 nan 8.190 nan 0.000 0.477 1193 D N 5.038 125.462 120.400 0.040 0.000 2.408 1193 D HA 0.661 5.301 4.640 -0.000 0.000 0.243 1193 D C -0.111 176.244 176.300 0.091 0.000 1.075 1193 D CA 0.856 54.895 54.000 0.065 0.000 0.832 1193 D CB 1.454 42.332 40.800 0.130 0.000 1.162 1193 D HN 1.076 nan 8.370 nan 0.000 0.515 1194 A N 2.274 125.098 122.820 0.007 0.000 2.454 1194 A HA 0.368 4.688 4.320 -0.000 0.000 0.685 1194 A C 1.258 178.847 177.584 0.009 0.000 0.152 1194 A CA 0.667 52.694 52.037 -0.016 0.000 0.038 1194 A CB -1.527 17.445 19.000 -0.048 0.000 3.970 1194 A HN 1.866 nan 8.150 nan 0.000 0.548 1195 G N -1.726 107.067 108.800 -0.012 0.000 2.234 1195 G HA2 0.072 4.032 3.960 -0.000 0.000 0.235 1195 G HA3 0.072 4.032 3.960 -0.000 0.000 0.235 1195 G C 0.862 175.757 174.900 -0.009 0.000 0.997 1195 G CA 0.555 45.655 45.100 0.001 0.000 0.623 1195 G HN 2.186 nan 8.290 nan 0.000 0.514 1196 V N 1.051 120.953 119.914 -0.019 0.000 2.901 1196 V HA 0.422 4.542 4.120 -0.000 0.000 0.307 1196 V C 1.773 177.855 176.094 -0.019 0.000 1.084 1196 V CA 1.717 64.005 62.300 -0.019 0.000 1.184 1196 V CB 1.366 33.174 31.823 -0.025 0.000 0.941 1196 V HN 0.731 nan 8.190 nan 0.000 0.493 1197 G N 2.767 111.561 108.800 -0.010 0.000 2.780 1197 G HA2 0.376 4.336 3.960 -0.000 0.000 0.198 1197 G HA3 0.376 4.336 3.960 -0.000 0.000 0.198 1197 G C 0.361 175.261 174.900 -0.001 0.000 1.067 1197 G CA 0.841 45.938 45.100 -0.005 0.000 0.765 1197 G HN 0.772 nan 8.290 nan 0.000 0.581 1198 T N -2.801 111.752 114.554 -0.000 0.000 2.645 1198 T HA 0.607 4.957 4.350 -0.000 0.000 0.300 1198 T C 1.411 176.113 174.700 0.004 0.000 1.210 1198 T CA 0.236 62.339 62.100 0.004 0.000 1.034 1198 T CB 1.092 69.964 68.868 0.006 0.000 1.537 1198 T HN 0.293 nan 8.240 nan 0.000 0.492 1199 A N 1.122 123.947 122.820 0.009 0.000 1.865 1199 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 1199 A C 2.495 180.083 177.584 0.006 0.000 1.191 1199 A CA 2.837 54.882 52.037 0.013 0.000 0.623 1199 A CB -1.658 17.354 19.000 0.020 0.000 0.826 1199 A HN 1.265 nan 8.150 nan 0.000 0.444 1200 S N 0.337 116.040 115.700 0.004 0.000 2.383 1200 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 1200 S C 1.442 176.039 174.600 -0.005 0.000 1.030 1200 S CA 1.640 59.840 58.200 0.001 0.000 1.002 1200 S CB -0.672 62.528 63.200 0.000 0.000 0.829 1200 S HN 0.526 nan 8.310 nan 0.000 0.467 1201 D N 2.599 122.995 120.400 -0.007 0.000 2.092 1201 D HA 0.004 4.644 4.640 -0.000 0.000 0.193 1201 D C 2.341 178.629 176.300 -0.019 0.000 0.994 1201 D CA 1.673 55.665 54.000 -0.013 0.000 0.828 1201 D CB -0.826 39.967 40.800 -0.011 0.000 0.963 1201 D HN 0.563 nan 8.370 nan 0.000 0.450 1202 A N 0.872 123.681 122.820 -0.019 0.000 1.930 1202 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 1202 A C 2.297 179.864 177.584 -0.029 0.000 1.175 1202 A CA 2.172 54.192 52.037 -0.028 0.000 0.627 1202 A CB -0.728 18.256 19.000 -0.026 0.000 0.815 1202 A HN 0.232 nan 8.150 nan 0.000 0.443 1203 A N 0.102 122.913 122.820 -0.014 0.000 1.908 1203 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 1203 A C 2.116 179.692 177.584 -0.013 0.000 1.181 1203 A CA 1.587 53.619 52.037 -0.008 0.000 0.627 1203 A CB -0.634 18.369 19.000 0.005 0.000 0.818 1203 A HN 0.503 nan 8.150 nan 0.000 0.445 1204 I N -0.320 120.240 120.570 -0.016 0.000 2.208 1204 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 1204 I C 3.001 179.096 176.117 -0.036 0.000 1.097 1204 I CA 1.004 62.292 61.300 -0.020 0.000 1.363 1204 I CB -0.396 37.589 38.000 -0.025 0.000 1.051 1204 I HN 0.389 nan 8.210 nan 0.000 0.413 1205 A N 0.889 123.681 122.820 -0.047 0.000 1.873 1205 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 1205 A C 2.329 179.854 177.584 -0.098 0.000 1.193 1205 A CA 1.765 53.762 52.037 -0.068 0.000 0.629 1205 A CB -0.514 18.447 19.000 -0.066 0.000 0.826 1205 A HN 0.282 nan 8.150 nan 0.000 0.447 1206 M N -0.312 119.231 119.600 -0.094 0.000 2.080 1206 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 1206 M C 1.910 178.133 176.300 -0.128 0.000 1.068 1206 M CA 1.675 56.897 55.300 -0.130 0.000 1.109 1206 M CB -1.776 30.776 32.600 -0.080 0.000 1.342 1206 M HN 0.553 nan 8.290 nan 0.000 0.405 1207 E N 0.224 120.413 120.200 -0.019 0.000 2.130 1207 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 1207 E C 2.169 178.825 176.600 0.093 0.000 0.998 1207 E CA 0.999 57.448 56.400 0.082 0.000 0.806 1207 E CB -0.307 29.428 29.700 0.060 0.000 0.738 1207 E HN 0.454 nan 8.360 nan 0.000 0.459 1208 L N -0.850 120.361 121.223 -0.021 0.000 2.201 1208 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 1208 L C 1.607 178.414 176.870 -0.106 0.000 1.105 1208 L CA 1.072 55.897 54.840 -0.026 0.000 0.775 1208 L CB 0.038 42.063 42.059 -0.057 0.000 0.913 1208 L HN 0.416 nan 8.230 nan 0.000 0.440 1209 G N -2.381 106.191 108.800 -0.380 0.000 2.234 1209 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.153 1209 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.153 1209 G C 0.109 174.723 174.900 -0.478 0.000 1.013 1209 G CA -0.339 44.314 45.100 -0.746 0.000 0.712 1209 G HN 0.170 nan 8.290 nan 0.000 0.491 1210 C N 1.276 120.391 119.300 -0.308 0.000 2.676 1210 C HA 0.332 4.792 4.460 -0.000 0.000 0.416 1210 C C 1.927 176.798 174.990 -0.197 0.000 1.299 1210 C CA -0.030 58.872 59.018 -0.193 0.000 2.048 1210 C CB 1.043 28.697 27.740 -0.143 0.000 2.713 1210 C HN 0.499 nan 8.230 nan 0.000 0.624 1211 E N 0.329 120.468 120.200 -0.101 0.000 2.216 1211 E HA 0.110 4.460 4.350 -0.000 0.000 0.192 1211 E C 0.698 177.168 176.600 -0.217 0.000 0.988 1211 E CA 0.822 57.199 56.400 -0.038 0.000 0.834 1211 E CB 0.319 30.118 29.700 0.165 0.000 0.772 1211 E HN 0.823 nan 8.360 nan 0.000 0.479 1212 A N -0.501 122.178 122.820 -0.234 0.000 2.536 1212 A HA 0.569 4.889 4.320 -0.000 0.000 0.293 1212 A C -1.352 176.109 177.584 -0.205 0.000 1.119 1212 A CA -0.585 51.221 52.037 -0.386 0.000 0.654 1212 A CB 1.427 20.019 19.000 -0.679 0.000 1.291 1212 A HN -0.078 nan 8.150 nan 0.000 0.439 1213 V N 0.140 119.939 119.914 -0.190 0.000 3.007 1213 V HA 0.700 4.820 4.120 -0.000 0.000 0.311 1213 V C -0.929 175.109 176.094 -0.093 0.000 1.120 1213 V CA -0.516 61.716 62.300 -0.113 0.000 0.980 1213 V CB 1.977 33.741 31.823 -0.098 0.000 1.033 1213 V HN 0.885 nan 8.190 nan 0.000 0.429 1214 L N 5.313 126.499 121.223 -0.060 0.000 2.410 1214 L HA 0.817 5.157 4.340 -0.000 0.000 0.270 1214 L C -0.897 175.943 176.870 -0.050 0.000 0.983 1214 L CA -0.416 54.393 54.840 -0.052 0.000 0.822 1214 L CB 1.655 43.690 42.059 -0.041 0.000 1.285 1214 L HN 0.937 nan 8.230 nan 0.000 0.409 1215 M N 2.626 122.196 119.600 -0.051 0.000 2.683 1215 M HA 0.482 4.962 4.480 -0.000 0.000 0.274 1215 M C -1.370 174.893 176.300 -0.062 0.000 1.272 1215 M CA -0.721 54.544 55.300 -0.057 0.000 0.833 1215 M CB 2.480 35.053 32.600 -0.045 0.000 1.708 1215 M HN 0.601 nan 8.290 nan 0.000 0.463 1216 N N -0.821 117.823 118.700 -0.094 0.000 2.994 1216 N HA 0.077 4.817 4.740 -0.000 0.000 0.287 1216 N C 0.740 176.133 175.510 -0.194 0.000 0.846 1216 N CA 0.609 53.585 53.050 -0.123 0.000 1.256 1216 N CB 0.611 39.014 38.487 -0.139 0.000 1.330 1216 N HN 0.776 nan 8.380 nan 0.000 1.205 1217 T N 1.312 115.722 114.554 -0.240 0.000 2.699 1217 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 1217 T C 1.849 176.431 174.700 -0.195 0.000 1.036 1217 T CA 1.592 63.486 62.100 -0.343 0.000 1.147 1217 T CB -0.496 68.145 68.868 -0.378 0.000 0.862 1217 T HN 0.466 nan 8.240 nan 0.000 0.446 1218 A N 0.926 123.679 122.820 -0.112 0.000 1.908 1218 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 1218 A C 2.264 179.838 177.584 -0.018 0.000 1.181 1218 A CA 1.399 53.408 52.037 -0.046 0.000 0.627 1218 A CB -0.694 18.287 19.000 -0.032 0.000 0.818 1218 A HN 0.551 nan 8.150 nan 0.000 0.445 1219 I N -0.765 119.788 120.570 -0.030 0.000 2.185 1219 I HA -0.140 4.030 4.170 -0.000 0.000 0.235 1219 I C 2.881 178.991 176.117 -0.012 0.000 1.069 1219 I CA 0.937 62.246 61.300 0.015 0.000 1.354 1219 I CB -0.581 37.460 38.000 0.068 0.000 1.093 1219 I HN 0.294 nan 8.210 nan 0.000 0.411 1220 A N -0.261 122.437 122.820 -0.204 0.000 2.186 1220 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 1220 A C 1.668 179.257 177.584 0.008 0.000 1.159 1220 A CA 1.756 53.548 52.037 -0.408 0.000 0.680 1220 A CB -0.877 17.485 19.000 -1.064 0.000 0.787 1220 A HN 0.509 nan 8.150 nan 0.000 0.467 1221 H N -1.408 117.567 119.070 -0.158 0.000 2.594 1221 H HA 0.555 5.111 4.556 0.000 0.000 0.279 1221 H C 0.847 176.146 175.328 -0.049 0.000 1.042 1221 H CA -0.315 55.676 56.048 -0.095 0.000 1.177 1221 H CB -0.024 29.685 29.762 -0.087 0.000 1.524 1221 H HN 0.478 nan 8.280 nan 0.000 0.537 1222 A N 0.643 123.500 122.820 0.061 0.000 2.351 1222 A HA 0.169 4.489 4.320 -0.000 0.000 0.257 1222 A C 1.298 178.891 177.584 0.016 0.000 1.087 1222 A CA -0.479 51.580 52.037 0.036 0.000 0.798 1222 A CB 0.678 19.700 19.000 0.037 0.000 1.033 1222 A HN 0.143 nan 8.150 nan 0.000 0.488 1223 K N 0.257 120.661 120.400 0.007 0.000 2.173 1223 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 1223 K C -0.060 176.547 176.600 0.011 0.000 1.046 1223 K CA 1.907 58.194 56.287 -0.001 0.000 0.929 1223 K CB -0.108 32.393 32.500 0.000 0.000 0.720 1223 K HN 0.792 nan 8.250 nan 0.000 0.453 1224 D N -0.711 119.703 120.400 0.024 0.000 2.443 1224 D HA 0.199 4.839 4.640 -0.000 0.000 0.281 1224 D C -2.131 174.201 176.300 0.055 0.000 1.210 1224 D CA -2.320 51.700 54.000 0.034 0.000 0.875 1224 D CB 1.153 41.969 40.800 0.027 0.000 1.125 1224 D HN -0.236 nan 8.370 nan 0.000 0.503 1225 P HA -0.273 nan 4.420 nan 0.000 0.222 1225 P C 1.506 178.884 177.300 0.131 0.000 1.159 1225 P CA 1.029 64.206 63.100 0.129 0.000 0.920 1225 P CB 0.331 32.157 31.700 0.209 0.000 0.793 1226 V N -1.602 118.372 119.914 0.100 0.000 2.490 1226 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 1226 V C 2.408 178.540 176.094 0.064 0.000 1.061 1226 V CA 1.767 64.110 62.300 0.071 0.000 1.064 1226 V CB -0.969 30.879 31.823 0.043 0.000 0.670 1226 V HN 0.180 nan 8.190 nan 0.000 0.461 1227 M N -1.129 118.506 119.600 0.058 0.000 2.193 1227 M HA -0.113 4.367 4.480 -0.000 0.000 0.265 1227 M C 2.176 178.511 176.300 0.059 0.000 1.071 1227 M CA 1.670 57.002 55.300 0.052 0.000 1.140 1227 M CB -0.095 32.528 32.600 0.039 0.000 1.369 1227 M HN 0.365 nan 8.290 nan 0.000 0.423 1228 M N 0.663 120.299 119.600 0.059 0.000 2.149 1228 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 1228 M C 2.015 178.353 176.300 0.064 0.000 1.064 1228 M CA 2.068 57.401 55.300 0.056 0.000 1.102 1228 M CB -0.795 31.837 32.600 0.052 0.000 1.369 1228 M HN 0.329 nan 8.290 nan 0.000 0.408 1229 A N -0.704 122.161 122.820 0.076 0.000 1.865 1229 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 1229 A C 2.144 179.767 177.584 0.065 0.000 1.191 1229 A CA 2.105 54.185 52.037 0.072 0.000 0.623 1229 A CB -1.037 18.010 19.000 0.079 0.000 0.826 1229 A HN 0.655 nan 8.150 nan 0.000 0.444 1230 E N -0.314 119.933 120.200 0.077 0.000 2.153 1230 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 1230 E C 2.072 178.783 176.600 0.185 0.000 0.988 1230 E CA 1.029 57.495 56.400 0.111 0.000 0.811 1230 E CB -0.253 29.520 29.700 0.121 0.000 0.746 1230 E HN 0.560 nan 8.360 nan 0.000 0.466 1231 A N 0.951 123.849 122.820 0.130 0.000 1.858 1231 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 1231 A C 2.152 179.802 177.584 0.110 0.000 1.190 1231 A CA 1.773 53.882 52.037 0.119 0.000 0.617 1231 A CB -0.430 18.608 19.000 0.063 0.000 0.827 1231 A HN 0.268 nan 8.150 nan 0.000 0.443 1232 M N -0.007 119.632 119.600 0.065 0.000 2.149 1232 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 1232 M C 2.023 178.334 176.300 0.019 0.000 1.064 1232 M CA 1.932 57.253 55.300 0.034 0.000 1.102 1232 M CB -1.326 31.285 32.600 0.018 0.000 1.369 1232 M HN 0.610 nan 8.290 nan 0.000 0.408 1233 K N -0.094 120.311 120.400 0.009 0.000 2.044 1233 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 1233 K C 1.750 178.276 176.600 -0.123 0.000 1.049 1233 K CA 1.981 58.223 56.287 -0.075 0.000 0.927 1233 K CB -0.129 32.301 32.500 -0.117 0.000 0.713 1233 K HN 0.387 nan 8.250 nan 0.000 0.443 1234 H N -0.575 118.494 119.070 -0.002 0.000 2.403 1234 H HA 0.116 4.672 4.556 0.000 0.000 0.298 1234 H C 1.940 177.264 175.328 -0.006 0.000 1.059 1234 H CA 1.083 57.130 56.048 -0.002 0.000 1.363 1234 H CB 0.007 29.770 29.762 0.002 0.000 1.410 1234 H HN 0.389 nan 8.280 nan 0.000 0.528 1235 A N 1.256 124.144 122.820 0.114 0.000 1.873 1235 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 1235 A C 2.268 179.863 177.584 0.019 0.000 1.193 1235 A CA 2.245 54.314 52.037 0.053 0.000 0.629 1235 A CB -0.909 18.111 19.000 0.033 0.000 0.826 1235 A HN 0.552 nan 8.150 nan 0.000 0.447 1236 I N -2.336 118.229 120.570 -0.009 0.000 2.676 1236 I HA -0.020 4.150 4.170 -0.000 0.000 0.259 1236 I C 1.994 178.090 176.117 -0.036 0.000 1.194 1236 I CA 1.448 62.724 61.300 -0.040 0.000 1.473 1236 I CB -0.360 37.593 38.000 -0.079 0.000 1.096 1236 I HN 0.085 nan 8.210 nan 0.000 0.443 1237 V N 1.154 121.055 119.914 -0.021 0.000 2.535 1237 V HA 0.046 4.166 4.120 -0.000 0.000 0.246 1237 V C 2.738 178.844 176.094 0.021 0.000 1.045 1237 V CA 1.537 63.830 62.300 -0.011 0.000 1.058 1237 V CB -0.349 31.460 31.823 -0.023 0.000 0.689 1237 V HN 0.519 nan 8.190 nan 0.000 0.461 1238 A N 0.469 123.313 122.820 0.040 0.000 1.877 1238 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 1238 A C 2.361 179.968 177.584 0.038 0.000 1.186 1238 A CA 2.015 54.080 52.037 0.047 0.000 0.620 1238 A CB -1.527 17.506 19.000 0.054 0.000 0.822 1238 A HN 0.689 nan 8.150 nan 0.000 0.443 1239 G N -0.797 108.020 108.800 0.028 0.000 2.422 1239 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 1239 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 1239 G C 1.667 176.600 174.900 0.054 0.000 1.140 1239 G CA 1.174 46.293 45.100 0.032 0.000 0.775 1239 G HN 0.519 nan 8.290 nan 0.000 0.545 1240 R N 0.520 121.040 120.500 0.033 0.000 2.075 1240 R HA 0.140 4.480 4.340 -0.000 0.000 0.232 1240 R C 2.393 178.760 176.300 0.111 0.000 1.126 1240 R CA 1.069 57.201 56.100 0.054 0.000 0.963 1240 R CB -0.852 29.450 30.300 0.005 0.000 0.858 1240 R HN 0.383 nan 8.270 nan 0.000 0.435 1241 L N -0.159 121.108 121.223 0.073 0.000 2.056 1241 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 1241 L C 2.460 179.370 176.870 0.066 0.000 1.078 1241 L CA 1.265 56.144 54.840 0.065 0.000 0.749 1241 L CB -0.623 41.462 42.059 0.044 0.000 0.901 1241 L HN 0.331 nan 8.230 nan 0.000 0.433 1242 A N -0.635 122.227 122.820 0.071 0.000 1.933 1242 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 1242 A C 2.173 179.805 177.584 0.080 0.000 1.175 1242 A CA 1.584 53.657 52.037 0.060 0.000 0.628 1242 A CB -0.843 18.191 19.000 0.056 0.000 0.814 1242 A HN 0.482 nan 8.150 nan 0.000 0.444 1243 Y N 0.673 120.972 120.300 -0.002 0.000 2.089 1243 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 1243 Y C 1.965 177.867 175.900 0.002 0.000 1.139 1243 Y CA 2.009 60.108 58.100 -0.002 0.000 1.123 1243 Y CB -0.460 37.998 38.460 -0.003 0.000 0.980 1243 Y HN 0.207 nan 8.280 nan 0.000 0.493 1244 L N -0.056 121.155 121.223 -0.021 0.000 2.046 1244 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 1244 L C 2.779 179.584 176.870 -0.108 0.000 1.077 1244 L CA 1.190 55.966 54.840 -0.106 0.000 0.747 1244 L CB -1.108 40.971 42.059 0.034 0.000 0.896 1244 L HN 0.370 nan 8.230 nan 0.000 0.432 1245 A N 0.051 122.841 122.820 -0.050 0.000 2.019 1245 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 1245 A C 1.477 179.022 177.584 -0.065 0.000 1.164 1245 A CA 1.012 53.025 52.037 -0.041 0.000 0.644 1245 A CB -0.885 18.108 19.000 -0.012 0.000 0.805 1245 A HN 0.560 nan 8.150 nan 0.000 0.449 1246 G N -0.024 108.716 108.800 -0.101 0.000 2.694 1246 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.247 1246 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.247 1246 G C -0.126 174.742 174.900 -0.052 0.000 0.989 1246 G CA 0.087 45.127 45.100 -0.101 0.000 1.252 1246 G HN 1.247 nan 8.290 nan 0.000 0.483 1247 R N 1.962 122.441 120.500 -0.035 0.000 2.784 1247 R HA 0.550 4.890 4.340 -0.000 0.000 0.266 1247 R C 1.418 177.710 176.300 -0.014 0.000 1.044 1247 R CA 0.183 56.274 56.100 -0.015 0.000 1.151 1247 R CB 0.346 30.645 30.300 -0.001 0.000 1.037 1247 R HN 0.919 nan 8.270 nan 0.000 0.478 1248 M N 0.637 120.232 119.600 -0.007 0.000 2.226 1248 M HA 0.372 4.852 4.480 -0.000 0.000 0.324 1248 M C -1.870 174.428 176.300 -0.003 0.000 1.112 1248 M CA -1.689 53.608 55.300 -0.006 0.000 1.176 1248 M CB 0.110 32.708 32.600 -0.003 0.000 1.430 1248 M HN 0.527 nan 8.290 nan 0.000 0.462 1249 P HA 0.190 nan 4.420 nan 0.000 0.277 1249 P C -1.223 176.079 177.300 0.003 0.000 1.276 1249 P CA -0.283 62.818 63.100 0.001 0.000 0.788 1249 P CB 0.455 32.155 31.700 0.001 0.000 1.114 1250 R N 0.396 120.900 120.500 0.006 0.000 2.247 1250 R HA 0.277 4.617 4.340 -0.000 0.000 0.329 1250 R C 0.766 177.070 176.300 0.007 0.000 1.014 1250 R CA -0.651 55.453 56.100 0.007 0.000 0.907 1250 R CB 1.018 31.324 30.300 0.010 0.000 1.146 1250 R HN 0.450 nan 8.270 nan 0.000 0.499 1251 K N 0.000 120.403 120.400 0.006 0.000 2.780 1251 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1251 K CA 0.000 56.290 56.287 0.005 0.000 0.838 1251 K CB 0.000 32.502 32.500 0.004 0.000 1.064 1251 K HN 0.000 nan 8.250 nan 0.000 0.543