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 1x14_1_B DATA FIRST_RESID 998 DATA SEQUENCE HHHGRIGIPR ERLTNETRVA ATPKTVEQLL KLGFTVAVES GAGQLASFDD DATA SEQUENCE KAFVQAGAEI VEGNSVWQSE IILKVNAPLD DEIALLNPGT TLVSFIWPAQ DATA SEQUENCE NPELMQKLAE RNVTVMAMDS VPRISRAQSL DALSSMANIA GYRAIVEAAH DATA SEQUENCE EFGRFFTGQI TAAGKVPPAK VMVIGAGVAG LAAIGAANSL GAIVRAFDTR DATA SEQUENCE PEVKEQVQSM GAEFLELDXX XXXXXXXXXX XXMSDAFIKA EMELFAAQAK DATA SEQUENCE EVDIIVTTAL IPGKPAPKLI TREMVDSMKA GSVIVDLAAQ NGGNCEYTVP DATA SEQUENCE GEIFTTENGV KVIGYTDLPG RLPTQSSQLY GTNLVNLLKL LCKEKDGNIT DATA SEQUENCE VDFDDVVIRG VTVIRAGEIT WPAPPIQV 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 998 H HA 0.000 nan 4.556 nan 0.000 0.296 998 H C 0.000 175.010 175.328 -0.530 0.000 0.993 998 H CA 0.000 55.894 56.048 -0.257 0.000 1.023 998 H CB 0.000 29.766 29.762 0.006 0.000 1.292 999 H N 1.639 120.786 119.070 0.129 0.000 2.597 999 H HA 0.126 4.680 4.556 -0.003 0.000 0.225 999 H C -0.568 174.779 175.328 0.033 0.000 1.422 999 H CA -0.424 55.669 56.048 0.075 0.000 1.335 999 H CB 0.276 30.049 29.762 0.018 0.000 1.783 999 H HN 0.549 nan 8.280 nan 0.000 0.513 1000 H N 0.426 119.580 119.070 0.141 0.000 2.764 1000 H HA 0.101 4.655 4.556 -0.003 0.000 0.341 1000 H C 1.278 176.677 175.328 0.119 0.000 1.072 1000 H CA 1.308 57.422 56.048 0.110 0.000 1.444 1000 H CB 1.487 31.284 29.762 0.058 0.000 1.458 1000 H HN 0.905 nan 8.280 nan 0.000 0.572 1001 G N 3.182 112.133 108.800 0.253 0.000 2.168 1001 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.263 1001 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.263 1001 G C 0.524 175.621 174.900 0.329 0.000 0.977 1001 G CA 0.335 45.613 45.100 0.298 0.000 0.659 1001 G HN 0.641 nan 8.290 nan 0.000 0.533 1002 R N -0.164 120.458 120.500 0.203 0.000 2.368 1002 R HA 0.696 5.034 4.340 -0.003 0.000 0.302 1002 R C -0.059 176.247 176.300 0.009 0.000 1.002 1002 R CA -0.781 55.390 56.100 0.118 0.000 0.929 1002 R CB 0.451 30.811 30.300 0.099 0.000 1.073 1002 R HN 0.216 nan 8.270 nan 0.000 0.464 1003 I N 2.604 123.134 120.570 -0.067 0.000 2.377 1003 I HA 0.319 4.487 4.170 -0.003 0.000 0.293 1003 I C 0.527 176.528 176.117 -0.194 0.000 0.987 1003 I CA -0.501 60.689 61.300 -0.184 0.000 1.185 1003 I CB 2.065 39.901 38.000 -0.274 0.000 1.341 1003 I HN 0.686 nan 8.210 nan 0.000 0.455 1004 G N 7.238 115.892 108.800 -0.243 0.000 2.368 1004 G HA2 0.591 4.549 3.960 -0.003 0.000 0.320 1004 G HA3 0.591 4.549 3.960 -0.003 0.000 0.320 1004 G C -0.516 174.173 174.900 -0.351 0.000 1.158 1004 G CA -0.347 44.567 45.100 -0.310 0.000 0.912 1004 G HN 0.376 nan 8.290 nan 0.000 0.456 1005 I N 3.985 124.352 120.570 -0.338 0.000 2.388 1005 I HA 0.260 4.428 4.170 -0.003 0.000 0.281 1005 I C -2.321 173.593 176.117 -0.337 0.000 1.046 1005 I CA -2.664 58.446 61.300 -0.317 0.000 1.187 1005 I CB 1.098 38.910 38.000 -0.312 0.000 1.351 1005 I HN 0.199 nan 8.210 nan 0.000 0.472 1006 P HA 0.239 nan 4.420 nan 0.000 0.274 1006 P C -0.052 177.165 177.300 -0.138 0.000 1.237 1006 P CA -0.635 62.285 63.100 -0.299 0.000 0.793 1006 P CB 0.822 32.283 31.700 -0.398 0.000 0.977 1007 R N 1.700 122.158 120.500 -0.069 0.000 2.537 1007 R HA 0.062 4.400 4.340 -0.003 0.000 0.280 1007 R C 0.126 176.445 176.300 0.032 0.000 1.058 1007 R CA -0.127 55.967 56.100 -0.010 0.000 1.057 1007 R CB 0.206 30.512 30.300 0.009 0.000 0.973 1007 R HN 0.421 nan 8.270 nan 0.000 0.438 1008 E N 3.590 123.814 120.200 0.041 0.000 2.344 1008 E HA 0.007 4.355 4.350 -0.003 0.000 0.270 1008 E C 0.373 177.009 176.600 0.060 0.000 1.021 1008 E CA 0.065 56.500 56.400 0.058 0.000 0.887 1008 E CB 1.061 30.793 29.700 0.052 0.000 0.997 1008 E HN 0.516 nan 8.360 nan 0.000 0.429 1009 R N 1.510 122.053 120.500 0.072 0.000 2.282 1009 R HA 0.127 4.465 4.340 -0.003 0.000 0.195 1009 R C 0.480 176.806 176.300 0.044 0.000 0.909 1009 R CA -0.435 55.702 56.100 0.061 0.000 1.039 1009 R CB 0.049 30.394 30.300 0.075 0.000 1.015 1009 R HN 0.322 nan 8.270 nan 0.000 0.513 1010 L N 2.218 123.467 121.223 0.044 0.000 2.490 1010 L HA 0.004 4.342 4.340 -0.003 0.000 0.274 1010 L C -0.085 176.796 176.870 0.018 0.000 1.201 1010 L CA 0.833 55.691 54.840 0.030 0.000 0.869 1010 L CB 0.785 42.862 42.059 0.030 0.000 1.123 1010 L HN 0.008 nan 8.230 nan 0.000 0.484 1011 T N 6.108 120.668 114.554 0.010 0.000 2.871 1011 T HA 0.023 4.371 4.350 -0.003 0.000 0.296 1011 T C 0.835 175.534 174.700 -0.002 0.000 0.998 1011 T CA 0.469 62.571 62.100 0.004 0.000 1.162 1011 T CB -0.212 68.657 68.868 0.002 0.000 0.947 1011 T HN 0.813 nan 8.240 nan 0.000 0.536 1012 N N -0.030 118.668 118.700 -0.003 0.000 2.863 1012 N HA -0.158 4.580 4.740 -0.003 0.000 0.245 1012 N C -0.031 175.472 175.510 -0.012 0.000 1.001 1012 N CA 0.810 53.853 53.050 -0.012 0.000 0.901 1012 N CB -0.620 37.855 38.487 -0.020 0.000 1.124 1012 N HN 0.724 nan 8.380 nan 0.000 0.582 1013 E N 1.560 121.758 120.200 -0.002 0.000 2.366 1013 E HA 0.143 4.491 4.350 -0.003 0.000 0.266 1013 E C 1.270 177.875 176.600 0.009 0.000 1.015 1013 E CA 0.758 57.159 56.400 0.001 0.000 0.906 1013 E CB 0.617 30.325 29.700 0.013 0.000 0.979 1013 E HN 0.316 nan 8.360 nan 0.000 0.443 1014 T N 1.280 115.838 114.554 0.006 0.000 3.001 1014 T HA 0.265 4.613 4.350 -0.003 0.000 0.251 1014 T C 0.632 175.359 174.700 0.045 0.000 1.040 1014 T CA -0.232 61.877 62.100 0.015 0.000 0.985 1014 T CB 0.159 69.023 68.868 -0.007 0.000 1.011 1014 T HN 0.241 nan 8.240 nan 0.000 0.509 1015 R N 0.466 120.996 120.500 0.049 0.000 2.528 1015 R HA 0.737 5.075 4.340 -0.003 0.000 0.271 1015 R C -1.059 175.311 176.300 0.117 0.000 1.056 1015 R CA -0.642 55.511 56.100 0.088 0.000 1.117 1015 R CB 1.526 31.861 30.300 0.058 0.000 1.085 1015 R HN 0.136 nan 8.270 nan 0.000 0.530 1016 V N 0.432 120.454 119.914 0.181 0.000 2.876 1016 V HA 0.469 4.587 4.120 -0.003 0.000 0.312 1016 V C 0.025 176.251 176.094 0.219 0.000 1.085 1016 V CA -0.359 62.052 62.300 0.185 0.000 0.945 1016 V CB 2.009 33.980 31.823 0.247 0.000 1.017 1016 V HN 0.921 nan 8.190 nan 0.000 0.428 1017 A N 4.392 127.316 122.820 0.172 0.000 2.238 1017 A HA 0.810 5.128 4.320 -0.003 0.000 0.208 1017 A C 0.738 178.364 177.584 0.070 0.000 1.177 1017 A CA 0.835 53.000 52.037 0.214 0.000 0.804 1017 A CB -0.343 18.753 19.000 0.161 0.000 0.823 1017 A HN 1.694 nan 8.150 nan 0.000 0.482 1018 A N -1.121 121.737 122.820 0.064 0.000 2.572 1018 A HA 0.687 5.005 4.320 -0.003 0.000 0.295 1018 A C -0.168 177.476 177.584 0.099 0.000 1.072 1018 A CA 0.141 52.199 52.037 0.033 0.000 0.691 1018 A CB 0.676 19.669 19.000 -0.013 0.000 1.291 1018 A HN 0.684 nan 8.150 nan 0.000 0.404 1019 T N -1.477 113.019 114.554 -0.097 0.000 2.926 1019 T HA 0.697 5.046 4.350 -0.003 0.000 0.289 1019 T C -2.371 172.073 174.700 -0.426 0.000 1.054 1019 T CA -1.878 59.862 62.100 -0.599 0.000 1.015 1019 T CB 1.577 69.892 68.868 -0.922 0.000 1.167 1019 T HN 0.157 nan 8.240 nan 0.000 0.526 1020 P HA -0.095 nan 4.420 nan 0.000 0.216 1020 P C 1.405 178.588 177.300 -0.194 0.000 1.154 1020 P CA 1.107 63.975 63.100 -0.387 0.000 0.865 1020 P CB 0.086 31.540 31.700 -0.410 0.000 0.789 1021 K N -0.626 119.644 120.400 -0.217 0.000 2.026 1021 K HA -0.113 4.205 4.320 -0.003 0.000 0.208 1021 K C 2.053 178.602 176.600 -0.084 0.000 1.048 1021 K CA 2.157 58.373 56.287 -0.118 0.000 0.929 1021 K CB -1.340 31.098 32.500 -0.104 0.000 0.713 1021 K HN 0.224 nan 8.250 nan 0.000 0.439 1022 T N -2.133 112.361 114.554 -0.100 0.000 2.867 1022 T HA -0.070 4.278 4.350 -0.003 0.000 0.268 1022 T C 1.929 176.605 174.700 -0.039 0.000 1.057 1022 T CA 1.198 63.258 62.100 -0.067 0.000 1.136 1022 T CB -0.576 68.245 68.868 -0.079 0.000 0.874 1022 T HN -0.073 nan 8.240 nan 0.000 0.466 1023 V N 2.158 122.060 119.914 -0.020 0.000 2.332 1023 V HA -0.189 3.929 4.120 -0.003 0.000 0.248 1023 V C 2.777 178.880 176.094 0.014 0.000 1.055 1023 V CA 2.172 64.481 62.300 0.015 0.000 1.038 1023 V CB -0.738 31.131 31.823 0.077 0.000 0.651 1023 V HN 0.604 nan 8.190 nan 0.000 0.450 1024 E N -0.335 119.864 120.200 -0.002 0.000 2.118 1024 E HA -0.291 4.057 4.350 -0.003 0.000 0.195 1024 E C 2.282 178.889 176.600 0.011 0.000 0.992 1024 E CA 1.436 57.838 56.400 0.003 0.000 0.804 1024 E CB -0.180 29.513 29.700 -0.011 0.000 0.741 1024 E HN 0.697 nan 8.360 nan 0.000 0.458 1025 Q N 0.241 120.043 119.800 0.003 0.000 2.172 1025 Q HA -0.071 4.268 4.340 -0.003 0.000 0.200 1025 Q C 2.324 178.353 176.000 0.048 0.000 0.964 1025 Q CA 0.737 56.548 55.803 0.013 0.000 0.855 1025 Q CB 0.028 28.764 28.738 -0.004 0.000 0.918 1025 Q HN 0.316 nan 8.270 nan 0.000 0.444 1026 L N 0.291 121.547 121.223 0.054 0.000 2.109 1026 L HA -0.160 4.178 4.340 -0.003 0.000 0.207 1026 L C 2.206 179.197 176.870 0.202 0.000 1.086 1026 L CA 0.821 55.739 54.840 0.130 0.000 0.760 1026 L CB -0.317 41.764 42.059 0.035 0.000 0.910 1026 L HN 0.244 nan 8.230 nan 0.000 0.437 1027 L N -0.375 120.915 121.223 0.111 0.000 2.131 1027 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 1027 L C 2.454 179.352 176.870 0.047 0.000 1.092 1027 L CA 1.203 56.094 54.840 0.085 0.000 0.759 1027 L CB -0.555 41.535 42.059 0.051 0.000 0.903 1027 L HN 0.231 nan 8.230 nan 0.000 0.435 1028 K N 0.318 120.742 120.400 0.040 0.000 2.360 1028 K HA -0.073 4.246 4.320 -0.003 0.000 0.201 1028 K C 1.691 178.292 176.600 0.003 0.000 1.046 1028 K CA 0.890 57.186 56.287 0.015 0.000 0.945 1028 K CB -0.023 32.485 32.500 0.014 0.000 0.750 1028 K HN 0.374 nan 8.250 nan 0.000 0.464 1029 L N -0.311 120.932 121.223 0.034 0.000 2.592 1029 L HA 0.128 4.466 4.340 -0.003 0.000 0.227 1029 L C 0.953 177.665 176.870 -0.263 0.000 1.127 1029 L CA 0.164 54.986 54.840 -0.028 0.000 0.884 1029 L CB 0.170 42.329 42.059 0.166 0.000 1.065 1029 L HN 0.353 nan 8.230 nan 0.000 0.457 1030 G N -0.314 108.374 108.800 -0.186 0.000 2.141 1030 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.242 1030 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.242 1030 G C 0.011 174.724 174.900 -0.313 0.000 0.982 1030 G CA -0.408 44.546 45.100 -0.243 0.000 0.662 1030 G HN 0.158 nan 8.290 nan 0.000 0.527 1031 F N 1.275 121.223 119.950 -0.004 0.000 2.380 1031 F HA 0.698 5.223 4.527 -0.003 0.000 0.321 1031 F C 1.264 177.065 175.800 0.001 0.000 1.103 1031 F CA 0.175 58.174 58.000 -0.001 0.000 1.067 1031 F CB 1.257 40.248 39.000 -0.014 0.000 1.265 1031 F HN 0.158 nan 8.300 nan 0.000 0.517 1032 T N -1.404 113.285 114.554 0.225 0.000 2.952 1032 T HA 0.787 5.135 4.350 -0.003 0.000 0.286 1032 T C -0.965 173.785 174.700 0.082 0.000 1.024 1032 T CA -0.832 61.344 62.100 0.127 0.000 1.029 1032 T CB 1.650 70.577 68.868 0.098 0.000 1.094 1032 T HN 0.335 nan 8.240 nan 0.000 0.515 1033 V N 0.966 120.898 119.914 0.029 0.000 2.525 1033 V HA 0.703 4.822 4.120 -0.003 0.000 0.299 1033 V C -0.076 175.976 176.094 -0.069 0.000 1.034 1033 V CA -1.053 61.225 62.300 -0.037 0.000 0.863 1033 V CB 1.252 33.054 31.823 -0.036 0.000 0.999 1033 V HN 1.298 nan 8.190 nan 0.000 0.423 1034 A N 5.016 127.763 122.820 -0.122 0.000 2.258 1034 A HA 0.802 5.120 4.320 -0.003 0.000 0.316 1034 A C -0.571 176.875 177.584 -0.231 0.000 1.279 1034 A CA -0.464 51.481 52.037 -0.155 0.000 0.876 1034 A CB 1.055 19.954 19.000 -0.169 0.000 1.170 1034 A HN 0.670 nan 8.150 nan 0.000 0.520 1035 V N 3.159 122.913 119.914 -0.266 0.000 2.394 1035 V HA 0.200 4.318 4.120 -0.003 0.000 0.282 1035 V C 0.653 176.577 176.094 -0.284 0.000 1.031 1035 V CA -0.606 61.457 62.300 -0.395 0.000 0.881 1035 V CB 1.338 32.737 31.823 -0.707 0.000 0.982 1035 V HN 1.000 nan 8.190 nan 0.000 0.451 1036 E N 3.311 123.356 120.200 -0.259 0.000 2.417 1036 E HA 0.042 4.390 4.350 -0.003 0.000 0.261 1036 E C 0.371 176.895 176.600 -0.126 0.000 1.000 1036 E CA -0.106 56.196 56.400 -0.163 0.000 0.919 1036 E CB 0.611 30.228 29.700 -0.138 0.000 0.955 1036 E HN 0.720 nan 8.360 nan 0.000 0.455 1037 S N 3.043 118.701 115.700 -0.070 0.000 2.642 1037 S HA 0.054 4.523 4.470 -0.003 0.000 0.308 1037 S C 1.138 175.736 174.600 -0.002 0.000 1.255 1037 S CA 1.213 59.399 58.200 -0.023 0.000 1.057 1037 S CB -0.161 63.037 63.200 -0.002 0.000 0.785 1037 S HN 0.911 nan 8.310 nan 0.000 0.500 1038 G N 3.376 112.197 108.800 0.035 0.000 2.189 1038 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.267 1038 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.267 1038 G C 1.087 176.026 174.900 0.065 0.000 0.975 1038 G CA 0.737 45.873 45.100 0.059 0.000 0.644 1038 G HN 1.441 nan 8.290 nan 0.000 0.537 1039 A N 0.064 122.895 122.820 0.018 0.000 1.917 1039 A HA 0.232 4.550 4.320 -0.003 0.000 0.219 1039 A C 2.580 180.238 177.584 0.123 0.000 1.182 1039 A CA 2.374 54.413 52.037 0.003 0.000 0.633 1039 A CB -0.704 18.208 19.000 -0.145 0.000 0.819 1039 A HN 1.687 nan 8.150 nan 0.000 0.448 1040 G N -2.007 106.964 108.800 0.285 0.000 3.189 1040 G HA2 0.208 4.166 3.960 -0.003 0.000 0.225 1040 G HA3 0.208 4.166 3.960 -0.003 0.000 0.225 1040 G C 1.225 176.294 174.900 0.282 0.000 1.159 1040 G CA 0.767 46.146 45.100 0.464 0.000 0.763 1040 G HN 0.461 nan 8.290 nan 0.000 0.549 1041 Q N 0.556 120.460 119.800 0.173 0.000 2.084 1041 Q HA 0.058 4.396 4.340 -0.003 0.000 0.202 1041 Q C 2.280 178.300 176.000 0.033 0.000 0.978 1041 Q CA 1.192 57.050 55.803 0.092 0.000 0.844 1041 Q CB -0.400 28.380 28.738 0.070 0.000 0.898 1041 Q HN 0.468 nan 8.270 nan 0.000 0.426 1042 L N -0.437 120.809 121.223 0.038 0.000 2.275 1042 L HA -0.023 4.315 4.340 -0.003 0.000 0.215 1042 L C 1.691 178.544 176.870 -0.028 0.000 1.119 1042 L CA 0.832 55.674 54.840 0.004 0.000 0.790 1042 L CB -0.353 41.715 42.059 0.015 0.000 0.919 1042 L HN 0.229 nan 8.230 nan 0.000 0.443 1043 A N -1.711 121.099 122.820 -0.017 0.000 2.345 1043 A HA 0.173 4.491 4.320 -0.003 0.000 0.225 1043 A C 1.201 178.523 177.584 -0.437 0.000 1.243 1043 A CA 0.360 52.332 52.037 -0.108 0.000 0.875 1043 A CB 0.089 19.147 19.000 0.096 0.000 0.929 1043 A HN 0.276 nan 8.150 nan 0.000 0.502 1044 S N -1.687 113.825 115.700 -0.314 0.000 3.672 1044 S HA -0.151 4.317 4.470 -0.003 0.000 0.319 1044 S C -0.569 173.708 174.600 -0.538 0.000 1.151 1044 S CA 0.864 58.832 58.200 -0.387 0.000 0.911 1044 S CB -2.166 60.794 63.200 -0.400 0.000 0.939 1044 S HN 0.533 nan 8.310 nan 0.000 0.524 1045 F N 2.386 122.315 119.950 -0.034 0.000 2.366 1045 F HA 0.434 4.960 4.527 -0.002 0.000 0.366 1045 F C 0.403 176.187 175.800 -0.027 0.000 1.096 1045 F CA -2.008 55.903 58.000 -0.149 0.000 1.060 1045 F CB 0.859 39.678 39.000 -0.301 0.000 1.282 1045 F HN 0.091 nan 8.300 nan 0.000 0.450 1046 D N 0.111 120.572 120.400 0.102 0.000 2.329 1046 D HA 0.131 4.770 4.640 -0.003 0.000 0.246 1046 D C 0.668 177.094 176.300 0.209 0.000 1.111 1046 D CA -0.418 53.661 54.000 0.131 0.000 0.941 1046 D CB 0.864 41.702 40.800 0.064 0.000 1.169 1046 D HN 0.241 nan 8.370 nan 0.000 0.441 1047 D N -0.018 120.517 120.400 0.226 0.000 2.133 1047 D HA -0.180 4.458 4.640 -0.003 0.000 0.192 1047 D C 1.540 177.962 176.300 0.204 0.000 1.001 1047 D CA 1.408 55.557 54.000 0.248 0.000 0.844 1047 D CB 0.006 40.887 40.800 0.134 0.000 0.944 1047 D HN 0.265 nan 8.370 nan 0.000 0.447 1048 K N 0.410 120.879 120.400 0.116 0.000 2.147 1048 K HA 0.056 4.374 4.320 -0.003 0.000 0.205 1048 K C 1.863 178.493 176.600 0.051 0.000 1.049 1048 K CA 1.005 57.336 56.287 0.074 0.000 0.936 1048 K CB -0.664 31.864 32.500 0.046 0.000 0.722 1048 K HN 0.130 nan 8.250 nan 0.000 0.446 1049 A N -0.323 122.505 122.820 0.013 0.000 1.930 1049 A HA -0.071 4.247 4.320 -0.003 0.000 0.217 1049 A C 1.962 179.484 177.584 -0.104 0.000 1.175 1049 A CA 1.017 53.011 52.037 -0.073 0.000 0.627 1049 A CB -0.646 18.278 19.000 -0.127 0.000 0.815 1049 A HN 0.209 nan 8.150 nan 0.000 0.443 1050 F N -0.168 119.788 119.950 0.010 0.000 2.171 1050 F HA -0.131 4.394 4.527 -0.003 0.000 0.300 1050 F C 2.414 178.204 175.800 -0.017 0.000 1.090 1050 F CA 1.422 59.408 58.000 -0.023 0.000 1.293 1050 F CB -0.599 38.385 39.000 -0.027 0.000 1.013 1050 F HN 0.027 nan 8.300 nan 0.000 0.486 1051 V N -0.269 119.751 119.914 0.178 0.000 2.358 1051 V HA -0.291 3.827 4.120 -0.003 0.000 0.246 1051 V C 2.217 178.348 176.094 0.062 0.000 1.047 1051 V CA 1.796 64.156 62.300 0.100 0.000 1.035 1051 V CB -0.764 31.105 31.823 0.077 0.000 0.658 1051 V HN 0.361 nan 8.190 nan 0.000 0.452 1052 Q N -0.075 119.750 119.800 0.043 0.000 2.181 1052 Q HA -0.180 4.158 4.340 -0.003 0.000 0.205 1052 Q C 2.270 178.279 176.000 0.014 0.000 0.980 1052 Q CA 1.713 57.527 55.803 0.019 0.000 0.862 1052 Q CB -0.361 28.379 28.738 0.004 0.000 0.905 1052 Q HN 0.683 nan 8.270 nan 0.000 0.429 1053 A N -0.226 122.604 122.820 0.016 0.000 2.119 1053 A HA 0.208 4.527 4.320 -0.003 0.000 0.216 1053 A C 1.536 179.139 177.584 0.031 0.000 1.152 1053 A CA 1.109 53.152 52.037 0.012 0.000 0.708 1053 A CB 0.014 19.012 19.000 -0.003 0.000 0.805 1053 A HN 0.481 nan 8.150 nan 0.000 0.460 1054 G N -2.778 106.050 108.800 0.045 0.000 2.183 1054 G HA2 0.246 4.204 3.960 -0.003 0.000 0.168 1054 G HA3 0.246 4.204 3.960 -0.003 0.000 0.168 1054 G C 0.288 175.217 174.900 0.048 0.000 1.008 1054 G CA 0.069 45.193 45.100 0.041 0.000 0.677 1054 G HN 1.337 nan 8.290 nan 0.000 0.498 1055 A N -0.050 122.810 122.820 0.068 0.000 2.304 1055 A HA 0.743 5.061 4.320 -0.003 0.000 0.271 1055 A C 0.276 177.880 177.584 0.033 0.000 1.091 1055 A CA 0.267 52.332 52.037 0.048 0.000 0.812 1055 A CB 0.758 19.798 19.000 0.067 0.000 1.056 1055 A HN 0.527 nan 8.150 nan 0.000 0.489 1056 E N 1.047 121.248 120.200 0.000 0.000 2.175 1056 E HA 0.427 4.775 4.350 -0.003 0.000 0.278 1056 E C -0.934 175.644 176.600 -0.038 0.000 0.969 1056 E CA -0.677 55.720 56.400 -0.006 0.000 0.796 1056 E CB 0.649 30.345 29.700 -0.008 0.000 1.104 1056 E HN 0.478 nan 8.360 nan 0.000 0.395 1057 I N 5.253 125.810 120.570 -0.021 0.000 2.395 1057 I HA 0.176 4.345 4.170 -0.003 0.000 0.289 1057 I C 0.384 176.474 176.117 -0.044 0.000 1.023 1057 I CA -0.390 60.886 61.300 -0.041 0.000 1.350 1057 I CB 0.664 38.662 38.000 -0.003 0.000 1.409 1057 I HN 0.367 nan 8.210 nan 0.000 0.507 1058 V N 3.450 123.323 119.914 -0.068 0.000 3.126 1058 V HA 0.659 4.777 4.120 -0.003 0.000 0.314 1058 V C 0.066 176.132 176.094 -0.047 0.000 1.138 1058 V CA -0.574 61.691 62.300 -0.059 0.000 1.034 1058 V CB 2.311 34.081 31.823 -0.089 0.000 1.075 1058 V HN 0.652 nan 8.190 nan 0.000 0.442 1059 E N 0.801 120.985 120.200 -0.027 0.000 2.354 1059 E HA 0.386 4.735 4.350 -0.003 0.000 0.203 1059 E C 1.233 177.838 176.600 0.008 0.000 0.841 1059 E CA 1.011 57.406 56.400 -0.008 0.000 1.046 1059 E CB 0.563 30.263 29.700 0.001 0.000 1.040 1059 E HN 1.016 nan 8.360 nan 0.000 0.504 1060 G N 0.147 108.957 108.800 0.016 0.000 2.928 1060 G HA2 -0.051 3.908 3.960 -0.003 0.000 0.163 1060 G HA3 -0.051 3.908 3.960 -0.003 0.000 0.163 1060 G C 0.309 175.268 174.900 0.098 0.000 1.573 1060 G CA 0.002 45.129 45.100 0.044 0.000 1.084 1060 G HN 0.208 nan 8.290 nan 0.000 0.569 1061 N N 0.477 119.254 118.700 0.128 0.000 2.626 1061 N HA -0.005 4.733 4.740 -0.003 0.000 0.193 1061 N C 1.918 177.543 175.510 0.192 0.000 1.213 1061 N CA 0.368 53.570 53.050 0.254 0.000 0.914 1061 N CB 0.236 38.807 38.487 0.140 0.000 0.994 1061 N HN 0.168 nan 8.380 nan 0.000 0.447 1062 S N 0.179 115.920 115.700 0.067 0.000 2.399 1062 S HA -0.113 4.355 4.470 -0.003 0.000 0.231 1062 S C 2.048 176.592 174.600 -0.092 0.000 1.022 1062 S CA 0.498 58.688 58.200 -0.016 0.000 0.983 1062 S CB -0.174 63.003 63.200 -0.039 0.000 0.803 1062 S HN 0.322 nan 8.310 nan 0.000 0.480 1063 V N 0.279 120.122 119.914 -0.118 0.000 2.490 1063 V HA -0.134 3.985 4.120 -0.003 0.000 0.250 1063 V C 1.394 177.275 176.094 -0.355 0.000 1.061 1063 V CA 1.488 63.613 62.300 -0.291 0.000 1.064 1063 V CB -0.499 31.091 31.823 -0.388 0.000 0.670 1063 V HN 0.727 nan 8.190 nan 0.000 0.461 1064 W N -0.509 120.734 121.300 -0.095 0.000 2.721 1064 W HA -0.004 4.655 4.660 -0.003 0.000 0.245 1064 W C 1.834 178.303 176.519 -0.084 0.000 1.276 1064 W CA 0.234 57.532 57.345 -0.078 0.000 1.342 1064 W CB -0.133 29.294 29.460 -0.055 0.000 1.135 1064 W HN 0.249 nan 8.180 nan 0.000 0.654 1065 Q N 0.092 119.905 119.800 0.022 0.000 2.239 1065 Q HA 0.148 4.486 4.340 -0.003 0.000 0.219 1065 Q C 0.141 176.085 176.000 -0.093 0.000 0.901 1065 Q CA 0.328 56.120 55.803 -0.019 0.000 0.949 1065 Q CB -0.087 28.627 28.738 -0.041 0.000 1.038 1065 Q HN 0.019 nan 8.270 nan 0.000 0.458 1066 S N 0.456 116.095 115.700 -0.101 0.000 2.617 1066 S HA 0.130 4.598 4.470 -0.003 0.000 0.283 1066 S C 1.181 175.762 174.600 -0.032 0.000 1.189 1066 S CA -0.585 57.560 58.200 -0.092 0.000 1.036 1066 S CB 1.841 64.943 63.200 -0.163 0.000 1.014 1066 S HN 0.346 nan 8.310 nan 0.000 0.522 1067 E N 0.932 121.123 120.200 -0.015 0.000 2.208 1067 E HA 0.028 4.376 4.350 -0.003 0.000 0.193 1067 E C -0.348 176.240 176.600 -0.021 0.000 0.988 1067 E CA 0.871 57.259 56.400 -0.019 0.000 0.828 1067 E CB 0.183 29.881 29.700 -0.004 0.000 0.763 1067 E HN 0.564 nan 8.360 nan 0.000 0.478 1068 I N 1.423 121.958 120.570 -0.059 0.000 2.582 1068 I HA 0.287 4.455 4.170 -0.003 0.000 0.292 1068 I C -0.886 175.136 176.117 -0.157 0.000 1.066 1068 I CA -0.952 60.284 61.300 -0.107 0.000 1.053 1068 I CB 2.184 40.077 38.000 -0.179 0.000 1.241 1068 I HN -0.067 nan 8.210 nan 0.000 0.421 1069 I N 6.712 127.191 120.570 -0.152 0.000 2.418 1069 I HA 0.436 4.605 4.170 -0.003 0.000 0.287 1069 I C -0.497 175.512 176.117 -0.181 0.000 1.008 1069 I CA -0.479 60.691 61.300 -0.217 0.000 1.104 1069 I CB 1.699 39.568 38.000 -0.218 0.000 1.264 1069 I HN 0.360 nan 8.210 nan 0.000 0.438 1070 L N 6.667 127.769 121.223 -0.203 0.000 2.307 1070 L HA 0.584 4.922 4.340 -0.003 0.000 0.284 1070 L C 0.008 176.822 176.870 -0.093 0.000 1.023 1070 L CA -0.604 54.150 54.840 -0.144 0.000 0.810 1070 L CB 1.361 43.318 42.059 -0.170 0.000 1.231 1070 L HN 0.515 nan 8.230 nan 0.000 0.423 1071 K N 1.701 122.105 120.400 0.008 0.000 2.466 1071 K HA 0.503 4.821 4.320 -0.003 0.000 0.260 1071 K C 0.104 176.831 176.600 0.211 0.000 1.011 1071 K CA -0.921 55.411 56.287 0.075 0.000 0.871 1071 K CB 2.564 35.106 32.500 0.071 0.000 1.404 1071 K HN 0.151 nan 8.250 nan 0.000 0.450 1072 V N 0.189 120.201 119.914 0.164 0.000 2.326 1072 V HA -0.059 4.060 4.120 -0.003 0.000 0.237 1072 V C 0.570 176.784 176.094 0.200 0.000 1.044 1072 V CA 0.906 63.263 62.300 0.094 0.000 1.035 1072 V CB -0.234 31.578 31.823 -0.018 0.000 0.675 1072 V HN 0.637 nan 8.190 nan 0.000 0.470 1073 N N 0.436 119.225 118.700 0.147 0.000 2.508 1073 N HA 0.484 5.222 4.740 -0.003 0.000 0.285 1073 N C -0.084 175.523 175.510 0.161 0.000 1.144 1073 N CA 0.197 53.347 53.050 0.167 0.000 0.978 1073 N CB 1.379 39.932 38.487 0.109 0.000 1.180 1073 N HN 0.399 nan 8.380 nan 0.000 0.484 1074 A N 1.991 124.910 122.820 0.165 0.000 2.507 1074 A HA 0.211 4.530 4.320 -0.003 0.000 0.235 1074 A C -1.944 175.716 177.584 0.127 0.000 1.070 1074 A CA -0.604 51.513 52.037 0.134 0.000 0.768 1074 A CB -0.576 18.494 19.000 0.117 0.000 1.011 1074 A HN 0.459 nan 8.150 nan 0.000 0.502 1075 P HA 0.322 nan 4.420 nan 0.000 0.275 1075 P C -0.551 176.778 177.300 0.048 0.000 1.228 1075 P CA -0.068 63.109 63.100 0.127 0.000 0.786 1075 P CB 0.507 32.288 31.700 0.135 0.000 0.927 1076 L N 1.964 123.201 121.223 0.023 0.000 2.468 1076 L HA 0.144 4.482 4.340 -0.003 0.000 0.254 1076 L C 1.893 178.729 176.870 -0.057 0.000 1.171 1076 L CA -0.489 54.345 54.840 -0.010 0.000 0.809 1076 L CB -0.065 41.991 42.059 -0.005 0.000 1.155 1076 L HN 0.332 nan 8.230 nan 0.000 0.473 1077 D N 1.029 121.398 120.400 -0.051 0.000 2.157 1077 D HA -0.247 4.391 4.640 -0.003 0.000 0.191 1077 D C 1.397 177.629 176.300 -0.113 0.000 1.004 1077 D CA 2.321 56.279 54.000 -0.069 0.000 0.854 1077 D CB -0.205 40.565 40.800 -0.049 0.000 0.936 1077 D HN 0.795 nan 8.370 nan 0.000 0.446 1078 D N -0.006 120.323 120.400 -0.118 0.000 2.317 1078 D HA -0.079 4.559 4.640 -0.003 0.000 0.211 1078 D C 1.589 177.720 176.300 -0.281 0.000 0.966 1078 D CA 0.616 54.522 54.000 -0.156 0.000 0.876 1078 D CB -0.231 40.502 40.800 -0.111 0.000 0.927 1078 D HN 0.249 nan 8.370 nan 0.000 0.519 1079 E N 0.219 120.219 120.200 -0.333 0.000 2.076 1079 E HA 0.007 4.355 4.350 -0.003 0.000 0.190 1079 E C 2.076 178.258 176.600 -0.698 0.000 0.979 1079 E CA 0.407 56.384 56.400 -0.705 0.000 0.807 1079 E CB -0.007 29.387 29.700 -0.510 0.000 0.761 1079 E HN 0.368 nan 8.360 nan 0.000 0.454 1080 I N 1.315 121.678 120.570 -0.345 0.000 2.335 1080 I HA -0.265 3.904 4.170 -0.003 0.000 0.251 1080 I C 2.392 178.384 176.117 -0.207 0.000 1.129 1080 I CA 0.920 62.092 61.300 -0.214 0.000 1.402 1080 I CB -0.208 37.728 38.000 -0.106 0.000 1.069 1080 I HN 0.082 nan 8.210 nan 0.000 0.424 1081 A N 0.288 122.976 122.820 -0.221 0.000 2.119 1081 A HA 0.004 4.322 4.320 -0.003 0.000 0.217 1081 A C 2.108 179.582 177.584 -0.185 0.000 1.153 1081 A CA 0.848 52.787 52.037 -0.163 0.000 0.692 1081 A CB -0.458 18.461 19.000 -0.134 0.000 0.799 1081 A HN 0.425 nan 8.150 nan 0.000 0.458 1082 L N -0.472 120.562 121.223 -0.316 0.000 2.591 1082 L HA 0.189 4.527 4.340 -0.003 0.000 0.228 1082 L C -0.076 176.722 176.870 -0.120 0.000 1.133 1082 L CA -0.205 54.467 54.840 -0.280 0.000 0.880 1082 L CB -0.196 41.540 42.059 -0.540 0.000 1.033 1082 L HN 0.245 nan 8.230 nan 0.000 0.450 1083 L N 1.188 122.349 121.223 -0.102 0.000 2.369 1083 L HA 0.078 4.417 4.340 -0.003 0.000 0.279 1083 L C 0.027 176.918 176.870 0.036 0.000 1.108 1083 L CA 0.056 54.929 54.840 0.055 0.000 0.852 1083 L CB 0.227 42.321 42.059 0.058 0.000 1.169 1083 L HN 0.214 nan 8.230 nan 0.000 0.452 1084 N N 5.099 123.836 118.700 0.061 0.000 2.529 1084 N HA 0.232 4.970 4.740 -0.003 0.000 0.278 1084 N C -2.480 173.051 175.510 0.036 0.000 1.146 1084 N CA -1.442 51.632 53.050 0.040 0.000 0.980 1084 N CB 0.382 38.895 38.487 0.043 0.000 1.124 1084 N HN 0.330 nan 8.380 nan 0.000 0.458 1085 P HA -0.103 nan 4.420 nan 0.000 0.263 1085 P C 0.893 178.209 177.300 0.027 0.000 1.162 1085 P CA 1.280 64.396 63.100 0.027 0.000 0.758 1085 P CB 0.334 32.049 31.700 0.025 0.000 0.773 1086 G N 1.372 110.188 108.800 0.026 0.000 2.217 1086 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.246 1086 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.246 1086 G C 0.385 175.298 174.900 0.020 0.000 0.990 1086 G CA 0.085 45.198 45.100 0.023 0.000 0.627 1086 G HN 0.612 nan 8.290 nan 0.000 0.522 1087 T N 1.976 116.545 114.554 0.026 0.000 2.907 1087 T HA 0.507 4.856 4.350 -0.003 0.000 0.298 1087 T C 0.309 175.025 174.700 0.025 0.000 1.017 1087 T CA 0.895 63.011 62.100 0.027 0.000 1.118 1087 T CB 1.278 70.177 68.868 0.052 0.000 0.948 1087 T HN 0.183 nan 8.240 nan 0.000 0.531 1088 T N 4.076 118.636 114.554 0.011 0.000 2.756 1088 T HA 0.454 4.802 4.350 -0.003 0.000 0.290 1088 T C -0.521 174.171 174.700 -0.014 0.000 0.985 1088 T CA -0.574 61.528 62.100 0.003 0.000 0.955 1088 T CB 0.459 69.324 68.868 -0.005 0.000 0.930 1088 T HN 0.327 nan 8.240 nan 0.000 0.451 1089 L N 5.834 127.058 121.223 0.002 0.000 2.307 1089 L HA 0.744 5.082 4.340 -0.003 0.000 0.284 1089 L C -1.045 175.809 176.870 -0.028 0.000 1.023 1089 L CA -0.436 54.405 54.840 0.001 0.000 0.810 1089 L CB 1.169 43.259 42.059 0.053 0.000 1.231 1089 L HN 0.385 nan 8.230 nan 0.000 0.423 1090 V N 4.905 124.784 119.914 -0.059 0.000 2.407 1090 V HA 0.881 4.999 4.120 -0.003 0.000 0.291 1090 V C -0.183 175.873 176.094 -0.063 0.000 1.018 1090 V CA 0.193 62.441 62.300 -0.086 0.000 0.842 1090 V CB 0.942 32.683 31.823 -0.137 0.000 0.996 1090 V HN 1.029 nan 8.190 nan 0.000 0.426 1091 S N 4.026 119.685 115.700 -0.070 0.000 2.655 1091 S HA 0.699 5.167 4.470 -0.003 0.000 0.266 1091 S C -0.962 173.548 174.600 -0.151 0.000 1.149 1091 S CA -0.807 57.380 58.200 -0.022 0.000 0.818 1091 S CB 0.924 64.165 63.200 0.069 0.000 1.130 1091 S HN 0.223 nan 8.310 nan 0.000 0.476 1092 F N 1.344 121.293 119.950 -0.002 0.000 2.572 1092 F HA 0.367 4.892 4.527 -0.003 0.000 0.370 1092 F C 1.347 177.072 175.800 -0.125 0.000 1.103 1092 F CA -0.023 57.883 58.000 -0.156 0.000 1.286 1092 F CB 0.322 39.271 39.000 -0.085 0.000 1.105 1092 F HN 0.452 nan 8.300 nan 0.000 0.583 1093 I N 0.182 120.692 120.570 -0.100 0.000 4.046 1093 I HA 0.036 4.205 4.170 -0.003 0.000 0.285 1093 I C -0.347 175.788 176.117 0.030 0.000 1.183 1093 I CA -0.087 61.187 61.300 -0.042 0.000 1.337 1093 I CB -0.683 37.252 38.000 -0.109 0.000 1.478 1093 I HN 0.775 nan 8.210 nan 0.000 0.452 1094 W N 1.546 122.830 121.300 -0.028 0.000 5.822 1094 W HA -0.146 4.512 4.660 -0.003 0.000 0.422 1094 W C -1.857 174.521 176.519 -0.235 0.000 1.673 1094 W CA -0.499 56.797 57.345 -0.081 0.000 0.989 1094 W CB -1.936 27.508 29.460 -0.027 0.000 2.899 1094 W HN 0.113 nan 8.180 nan 0.000 1.375 1095 P HA -0.264 nan 4.420 nan 0.000 0.215 1095 P C 1.762 178.669 177.300 -0.656 0.000 1.153 1095 P CA 3.062 65.748 63.100 -0.690 0.000 0.853 1095 P CB -0.121 30.669 31.700 -1.518 0.000 0.788 1096 A N -0.223 122.261 122.820 -0.560 0.000 1.917 1096 A HA -0.268 4.051 4.320 -0.003 0.000 0.219 1096 A C 2.051 179.629 177.584 -0.011 0.000 1.182 1096 A CA 1.941 53.913 52.037 -0.108 0.000 0.633 1096 A CB -1.462 17.666 19.000 0.213 0.000 0.819 1096 A HN 0.223 nan 8.150 nan 0.000 0.448 1097 Q N -0.280 119.524 119.800 0.006 0.000 2.403 1097 Q HA 0.155 4.493 4.340 -0.003 0.000 0.203 1097 Q C -0.419 175.580 176.000 -0.003 0.000 0.932 1097 Q CA 0.286 56.095 55.803 0.011 0.000 0.945 1097 Q CB 0.362 29.100 28.738 0.001 0.000 1.045 1097 Q HN 0.571 nan 8.270 nan 0.000 0.511 1098 N N -0.100 118.581 118.700 -0.031 0.000 2.711 1098 N HA 0.140 4.878 4.740 -0.003 0.000 0.263 1098 N C -2.467 173.014 175.510 -0.049 0.000 1.667 1098 N CA -0.777 52.257 53.050 -0.026 0.000 0.785 1098 N CB 1.495 39.981 38.487 -0.003 0.000 1.231 1098 N HN 0.011 nan 8.380 nan 0.000 0.503 1099 P HA -0.028 nan 4.420 nan 0.000 0.218 1099 P C 1.085 178.384 177.300 -0.000 0.000 1.152 1099 P CA 1.102 64.196 63.100 -0.010 0.000 0.826 1099 P CB 0.666 32.381 31.700 0.025 0.000 0.790 1100 E N -0.393 119.808 120.200 0.001 0.000 2.072 1100 E HA -0.136 4.212 4.350 -0.003 0.000 0.190 1100 E C 1.941 178.540 176.600 -0.002 0.000 0.982 1100 E CA 0.615 57.016 56.400 0.003 0.000 0.803 1100 E CB -0.809 28.893 29.700 0.003 0.000 0.755 1100 E HN 0.107 nan 8.360 nan 0.000 0.453 1101 L N 0.930 122.150 121.223 -0.005 0.000 2.043 1101 L HA -0.230 4.108 4.340 -0.003 0.000 0.212 1101 L C 2.176 179.041 176.870 -0.008 0.000 1.075 1101 L CA 1.745 56.582 54.840 -0.005 0.000 0.752 1101 L CB -0.279 41.781 42.059 0.001 0.000 0.891 1101 L HN 0.118 nan 8.230 nan 0.000 0.432 1102 M N -1.074 118.514 119.600 -0.019 0.000 2.117 1102 M HA -0.202 4.276 4.480 -0.003 0.000 0.262 1102 M C 2.387 178.694 176.300 0.011 0.000 1.065 1102 M CA 1.789 57.080 55.300 -0.016 0.000 1.114 1102 M CB -1.098 31.480 32.600 -0.036 0.000 1.361 1102 M HN 0.441 nan 8.290 nan 0.000 0.408 1103 Q N 0.779 120.588 119.800 0.014 0.000 2.084 1103 Q HA -0.139 4.200 4.340 -0.003 0.000 0.202 1103 Q C 1.819 177.827 176.000 0.013 0.000 0.978 1103 Q CA 1.870 57.685 55.803 0.020 0.000 0.844 1103 Q CB -0.073 28.678 28.738 0.021 0.000 0.898 1103 Q HN 0.340 nan 8.270 nan 0.000 0.426 1104 K N -0.539 119.864 120.400 0.004 0.000 2.097 1104 K HA -0.055 4.263 4.320 -0.003 0.000 0.206 1104 K C 1.960 178.559 176.600 -0.002 0.000 1.049 1104 K CA 1.227 57.511 56.287 -0.003 0.000 0.933 1104 K CB -0.135 32.357 32.500 -0.012 0.000 0.717 1104 K HN 0.190 nan 8.250 nan 0.000 0.442 1105 L N 0.058 121.283 121.223 0.004 0.000 2.056 1105 L HA -0.168 4.171 4.340 -0.003 0.000 0.207 1105 L C 2.470 179.352 176.870 0.020 0.000 1.078 1105 L CA 1.246 56.093 54.840 0.012 0.000 0.749 1105 L CB -0.585 41.484 42.059 0.018 0.000 0.901 1105 L HN 0.197 nan 8.230 nan 0.000 0.433 1106 A N -0.033 122.801 122.820 0.024 0.000 1.908 1106 A HA -0.263 4.055 4.320 -0.003 0.000 0.218 1106 A C 2.160 179.758 177.584 0.024 0.000 1.181 1106 A CA 1.893 53.949 52.037 0.031 0.000 0.627 1106 A CB -0.569 18.454 19.000 0.040 0.000 0.818 1106 A HN 0.456 nan 8.150 nan 0.000 0.445 1107 E N -0.775 119.435 120.200 0.017 0.000 2.267 1107 E HA -0.168 4.180 4.350 -0.003 0.000 0.197 1107 E C 1.659 178.263 176.600 0.007 0.000 0.998 1107 E CA 0.651 57.058 56.400 0.011 0.000 0.830 1107 E CB -0.018 29.685 29.700 0.004 0.000 0.751 1107 E HN 0.334 nan 8.360 nan 0.000 0.491 1108 R N 0.566 121.070 120.500 0.008 0.000 2.313 1108 R HA 0.059 4.397 4.340 -0.003 0.000 0.199 1108 R C 0.172 176.482 176.300 0.016 0.000 0.958 1108 R CA 0.022 56.127 56.100 0.007 0.000 1.047 1108 R CB -0.444 29.859 30.300 0.004 0.000 0.955 1108 R HN 0.129 nan 8.270 nan 0.000 0.481 1109 N N 0.665 119.377 118.700 0.019 0.000 2.727 1109 N HA -0.135 4.603 4.740 -0.003 0.000 0.251 1109 N C -0.277 175.248 175.510 0.025 0.000 1.040 1109 N CA 1.079 54.142 53.050 0.022 0.000 0.712 1109 N CB -1.206 37.293 38.487 0.019 0.000 0.912 1109 N HN 0.187 nan 8.380 nan 0.000 0.545 1110 V N -3.530 116.401 119.914 0.029 0.000 3.096 1110 V HA 0.758 4.876 4.120 -0.003 0.000 0.319 1110 V C 0.841 176.956 176.094 0.035 0.000 1.103 1110 V CA -0.621 61.699 62.300 0.033 0.000 1.016 1110 V CB 2.199 34.047 31.823 0.042 0.000 1.090 1110 V HN 0.076 nan 8.190 nan 0.000 0.449 1111 T N 1.576 116.150 114.554 0.033 0.000 2.829 1111 T HA 0.695 5.043 4.350 -0.003 0.000 0.282 1111 T C -0.561 174.160 174.700 0.036 0.000 0.990 1111 T CA -0.270 61.853 62.100 0.038 0.000 1.028 1111 T CB 1.377 70.263 68.868 0.030 0.000 0.951 1111 T HN 0.719 nan 8.240 nan 0.000 0.460 1112 V N 4.370 124.311 119.914 0.044 0.000 2.577 1112 V HA 0.501 4.619 4.120 -0.003 0.000 0.303 1112 V C -0.550 175.559 176.094 0.025 0.000 1.042 1112 V CA -0.767 61.550 62.300 0.028 0.000 0.872 1112 V CB 1.733 33.571 31.823 0.025 0.000 0.998 1112 V HN 0.856 nan 8.190 nan 0.000 0.423 1113 M N 3.987 123.582 119.600 -0.008 0.000 2.243 1113 M HA 0.719 5.197 4.480 -0.003 0.000 0.324 1113 M C -0.087 176.161 176.300 -0.087 0.000 1.031 1113 M CA -0.354 54.929 55.300 -0.029 0.000 0.949 1113 M CB 2.051 34.632 32.600 -0.033 0.000 1.615 1113 M HN 0.717 nan 8.290 nan 0.000 0.430 1114 A N 4.301 127.056 122.820 -0.107 0.000 2.269 1114 A HA 0.477 4.795 4.320 -0.003 0.000 0.302 1114 A C 0.850 178.282 177.584 -0.254 0.000 1.266 1114 A CA -0.609 51.315 52.037 -0.189 0.000 0.894 1114 A CB 0.433 19.323 19.000 -0.184 0.000 1.147 1114 A HN 0.945 nan 8.150 nan 0.000 0.537 1115 M N 1.506 120.863 119.600 -0.405 0.000 2.319 1115 M HA -0.100 4.378 4.480 -0.003 0.000 0.265 1115 M C 1.530 177.581 176.300 -0.414 0.000 1.068 1115 M CA 1.388 56.394 55.300 -0.490 0.000 1.118 1115 M CB -1.027 31.103 32.600 -0.783 0.000 1.395 1115 M HN 0.908 nan 8.290 nan 0.000 0.435 1116 D N -1.056 119.072 120.400 -0.454 0.000 2.309 1116 D HA -0.091 4.547 4.640 -0.003 0.000 0.212 1116 D C 0.815 176.963 176.300 -0.253 0.000 0.968 1116 D CA 0.912 54.641 54.000 -0.452 0.000 0.882 1116 D CB -0.302 39.687 40.800 -1.352 0.000 0.918 1116 D HN 0.240 nan 8.370 nan 0.000 0.503 1117 S N 0.123 115.721 115.700 -0.169 0.000 2.572 1117 S HA 0.154 4.622 4.470 -0.003 0.000 0.228 1117 S C 0.520 175.110 174.600 -0.016 0.000 0.963 1117 S CA -0.517 57.666 58.200 -0.028 0.000 0.939 1117 S CB 0.756 63.983 63.200 0.045 0.000 0.804 1117 S HN 0.090 nan 8.310 nan 0.000 0.480 1118 V N 4.818 124.705 119.914 -0.045 0.000 2.493 1118 V HA 0.114 4.233 4.120 -0.003 0.000 0.292 1118 V C -2.185 173.908 176.094 -0.002 0.000 1.016 1118 V CA -1.461 60.822 62.300 -0.029 0.000 1.097 1118 V CB -0.094 31.705 31.823 -0.039 0.000 0.947 1118 V HN 0.195 nan 8.190 nan 0.000 0.479 1119 P HA 0.178 nan 4.420 nan 0.000 0.268 1119 P C -0.232 177.074 177.300 0.010 0.000 1.204 1119 P CA -0.378 62.724 63.100 0.004 0.000 0.768 1119 P CB 0.361 32.055 31.700 -0.011 0.000 0.842 1120 R N 3.505 124.017 120.500 0.020 0.000 4.556 1120 R HA 0.225 4.563 4.340 -0.003 0.000 0.197 1120 R C 0.485 176.795 176.300 0.017 0.000 1.791 1120 R CA -0.234 55.881 56.100 0.025 0.000 1.526 1120 R CB -1.419 28.904 30.300 0.038 0.000 1.410 1120 R HN 0.584 nan 8.270 nan 0.000 0.826 1121 I N -3.264 117.312 120.570 0.010 0.000 2.793 1121 I HA 0.344 4.513 4.170 -0.003 0.000 0.313 1121 I C 1.121 177.243 176.117 0.007 0.000 0.998 1121 I CA -0.675 60.629 61.300 0.006 0.000 1.140 1121 I CB 1.705 39.705 38.000 0.001 0.000 1.327 1121 I HN -0.147 nan 8.210 nan 0.000 0.491 1122 S N 1.325 117.029 115.700 0.006 0.000 2.382 1122 S HA -0.153 4.316 4.470 -0.003 0.000 0.228 1122 S C 1.764 176.367 174.600 0.005 0.000 1.027 1122 S CA 1.810 60.014 58.200 0.007 0.000 0.991 1122 S CB -0.487 62.716 63.200 0.005 0.000 0.823 1122 S HN 0.812 nan 8.310 nan 0.000 0.469 1123 R N 1.333 121.835 120.500 0.003 0.000 2.235 1123 R HA 0.211 4.549 4.340 -0.003 0.000 0.213 1123 R C 1.635 177.935 176.300 -0.000 0.000 1.059 1123 R CA 1.106 57.206 56.100 0.001 0.000 0.997 1123 R CB -0.285 30.015 30.300 0.000 0.000 0.884 1123 R HN 0.269 nan 8.270 nan 0.000 0.462 1124 A N 0.499 123.319 122.820 0.000 0.000 2.275 1124 A HA 0.105 4.424 4.320 -0.003 0.000 0.212 1124 A C 1.417 179.002 177.584 0.001 0.000 1.201 1124 A CA -0.186 51.850 52.037 -0.003 0.000 0.843 1124 A CB 0.084 19.082 19.000 -0.003 0.000 0.873 1124 A HN 0.147 nan 8.150 nan 0.000 0.492 1125 Q N 0.577 120.381 119.800 0.006 0.000 2.170 1125 Q HA -0.145 4.194 4.340 -0.003 0.000 0.203 1125 Q C 2.334 178.339 176.000 0.009 0.000 0.976 1125 Q CA 1.887 57.698 55.803 0.013 0.000 0.858 1125 Q CB -0.605 28.142 28.738 0.016 0.000 0.907 1125 Q HN 0.807 nan 8.270 nan 0.000 0.433 1126 S N -0.926 114.774 115.700 0.000 0.000 2.515 1126 S HA -0.051 4.417 4.470 -0.003 0.000 0.231 1126 S C 1.360 175.948 174.600 -0.020 0.000 0.987 1126 S CA 0.500 58.697 58.200 -0.006 0.000 0.936 1126 S CB 0.030 63.225 63.200 -0.009 0.000 0.766 1126 S HN 0.220 nan 8.310 nan 0.000 0.528 1127 L N 1.041 122.250 121.223 -0.023 0.000 2.766 1127 L HA 0.428 4.766 4.340 -0.003 0.000 0.242 1127 L C 0.341 177.190 176.870 -0.035 0.000 1.136 1127 L CA 0.077 54.888 54.840 -0.048 0.000 0.933 1127 L CB 0.029 42.056 42.059 -0.054 0.000 1.241 1127 L HN 0.144 nan 8.230 nan 0.000 0.522 1128 D N 0.870 121.272 120.400 0.003 0.000 2.402 1128 D HA 0.230 4.868 4.640 -0.003 0.000 0.235 1128 D C 1.229 177.582 176.300 0.087 0.000 1.226 1128 D CA 0.346 54.367 54.000 0.035 0.000 0.918 1128 D CB 1.407 42.234 40.800 0.044 0.000 1.043 1128 D HN 0.170 nan 8.370 nan 0.000 0.506 1129 A N 4.395 127.284 122.820 0.116 0.000 1.969 1129 A HA -0.107 4.211 4.320 -0.003 0.000 0.218 1129 A C 2.297 180.087 177.584 0.343 0.000 1.169 1129 A CA 0.704 52.909 52.037 0.280 0.000 0.635 1129 A CB -0.300 18.930 19.000 0.384 0.000 0.810 1129 A HN 0.677 nan 8.150 nan 0.000 0.445 1130 L N -0.501 120.901 121.223 0.299 0.000 2.017 1130 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 1130 L C 2.884 179.861 176.870 0.179 0.000 1.073 1130 L CA 1.539 56.535 54.840 0.260 0.000 0.745 1130 L CB -0.573 41.633 42.059 0.245 0.000 0.894 1130 L HN 0.325 nan 8.230 nan 0.000 0.432 1131 S N -0.661 115.125 115.700 0.142 0.000 2.359 1131 S HA -0.204 4.264 4.470 -0.003 0.000 0.224 1131 S C 2.229 176.898 174.600 0.115 0.000 1.035 1131 S CA 1.586 59.853 58.200 0.111 0.000 1.018 1131 S CB -0.258 62.993 63.200 0.085 0.000 0.876 1131 S HN 0.305 nan 8.310 nan 0.000 0.448 1132 S N 1.021 116.798 115.700 0.129 0.000 2.372 1132 S HA -0.122 4.346 4.470 -0.003 0.000 0.227 1132 S C 1.938 176.618 174.600 0.132 0.000 1.044 1132 S CA 1.341 59.619 58.200 0.130 0.000 1.050 1132 S CB -0.316 62.986 63.200 0.169 0.000 0.901 1132 S HN 0.308 nan 8.310 nan 0.000 0.447 1133 M N 0.650 120.344 119.600 0.156 0.000 2.193 1133 M HA 0.141 4.619 4.480 -0.003 0.000 0.265 1133 M C 2.458 178.817 176.300 0.099 0.000 1.071 1133 M CA 1.167 56.540 55.300 0.122 0.000 1.140 1133 M CB -1.807 30.858 32.600 0.109 0.000 1.369 1133 M HN 0.344 nan 8.290 nan 0.000 0.423 1134 A N 0.544 123.426 122.820 0.104 0.000 1.978 1134 A HA -0.202 4.116 4.320 -0.003 0.000 0.220 1134 A C 2.130 179.769 177.584 0.092 0.000 1.170 1134 A CA 1.960 54.052 52.037 0.092 0.000 0.636 1134 A CB -1.082 17.974 19.000 0.093 0.000 0.810 1134 A HN 0.639 nan 8.150 nan 0.000 0.448 1135 N N 0.038 118.794 118.700 0.093 0.000 2.084 1135 N HA -0.144 4.595 4.740 -0.003 0.000 0.190 1135 N C 1.708 177.283 175.510 0.109 0.000 1.030 1135 N CA 1.672 54.777 53.050 0.092 0.000 0.849 1135 N CB -0.158 38.375 38.487 0.076 0.000 1.012 1135 N HN 0.374 nan 8.380 nan 0.000 0.423 1136 I N 1.721 122.349 120.570 0.096 0.000 2.163 1136 I HA -0.211 3.957 4.170 -0.003 0.000 0.243 1136 I C 2.598 178.809 176.117 0.155 0.000 1.085 1136 I CA 1.029 62.392 61.300 0.104 0.000 1.347 1136 I CB -1.564 36.483 38.000 0.078 0.000 1.044 1136 I HN 0.136 nan 8.210 nan 0.000 0.408 1137 A N 0.979 123.869 122.820 0.118 0.000 1.933 1137 A HA -0.117 4.201 4.320 -0.003 0.000 0.218 1137 A C 2.501 180.151 177.584 0.109 0.000 1.175 1137 A CA 1.880 53.981 52.037 0.106 0.000 0.628 1137 A CB -1.308 17.739 19.000 0.079 0.000 0.814 1137 A HN 0.447 nan 8.150 nan 0.000 0.444 1138 G N -1.498 107.369 108.800 0.112 0.000 2.421 1138 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.216 1138 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.216 1138 G C 1.561 176.524 174.900 0.106 0.000 1.171 1138 G CA 1.295 46.454 45.100 0.098 0.000 0.775 1138 G HN 0.639 nan 8.290 nan 0.000 0.543 1139 Y N 1.404 121.722 120.300 0.031 0.000 2.097 1139 Y HA -0.145 4.404 4.550 -0.002 0.000 0.282 1139 Y C 2.935 178.844 175.900 0.014 0.000 1.152 1139 Y CA 2.311 60.423 58.100 0.021 0.000 1.136 1139 Y CB -0.133 38.339 38.460 0.020 0.000 0.975 1139 Y HN 0.149 nan 8.280 nan 0.000 0.498 1140 R N 1.048 121.663 120.500 0.192 0.000 2.115 1140 R HA -0.067 4.271 4.340 -0.003 0.000 0.230 1140 R C 2.234 178.533 176.300 -0.003 0.000 1.111 1140 R CA 1.298 57.452 56.100 0.088 0.000 0.976 1140 R CB -1.001 29.393 30.300 0.157 0.000 0.870 1140 R HN 0.494 nan 8.270 nan 0.000 0.445 1141 A N 0.770 123.599 122.820 0.015 0.000 1.883 1141 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 1141 A C 1.997 179.558 177.584 -0.038 0.000 1.186 1141 A CA 1.625 53.668 52.037 0.011 0.000 0.624 1141 A CB -0.537 18.475 19.000 0.020 0.000 0.822 1141 A HN 0.279 nan 8.150 nan 0.000 0.444 1142 I N -0.168 120.338 120.570 -0.108 0.000 2.394 1142 I HA -0.142 4.026 4.170 -0.003 0.000 0.251 1142 I C 2.452 178.408 176.117 -0.267 0.000 1.136 1142 I CA 0.982 62.180 61.300 -0.169 0.000 1.425 1142 I CB -1.161 36.712 38.000 -0.213 0.000 1.079 1142 I HN 0.129 nan 8.210 nan 0.000 0.425 1143 V N 0.842 120.577 119.914 -0.299 0.000 2.427 1143 V HA -0.201 3.917 4.120 -0.003 0.000 0.248 1143 V C 2.520 178.570 176.094 -0.073 0.000 1.051 1143 V CA 1.485 63.638 62.300 -0.244 0.000 1.048 1143 V CB -0.477 31.204 31.823 -0.236 0.000 0.666 1143 V HN 0.360 nan 8.190 nan 0.000 0.456 1144 E N 0.261 120.456 120.200 -0.008 0.000 2.106 1144 E HA -0.132 4.216 4.350 -0.003 0.000 0.192 1144 E C 2.323 178.991 176.600 0.115 0.000 0.984 1144 E CA 1.390 57.853 56.400 0.106 0.000 0.806 1144 E CB -0.414 29.383 29.700 0.162 0.000 0.750 1144 E HN 0.582 nan 8.360 nan 0.000 0.458 1145 A N 1.627 124.476 122.820 0.049 0.000 1.873 1145 A HA -0.022 4.297 4.320 -0.003 0.000 0.215 1145 A C 2.454 180.136 177.584 0.163 0.000 1.186 1145 A CA 1.891 53.988 52.037 0.101 0.000 0.616 1145 A CB -0.628 18.444 19.000 0.119 0.000 0.823 1145 A HN 0.259 nan 8.150 nan 0.000 0.442 1146 A N -0.843 121.952 122.820 -0.042 0.000 1.883 1146 A HA -0.237 4.081 4.320 -0.003 0.000 0.217 1146 A C 2.028 179.687 177.584 0.125 0.000 1.186 1146 A CA 2.286 54.283 52.037 -0.067 0.000 0.624 1146 A CB -1.008 17.749 19.000 -0.405 0.000 0.822 1146 A HN 0.741 nan 8.150 nan 0.000 0.444 1147 H N -0.123 118.958 119.070 0.018 0.000 2.353 1147 H HA -0.107 4.448 4.556 -0.001 0.000 0.298 1147 H C 1.743 177.125 175.328 0.091 0.000 1.103 1147 H CA 2.075 58.152 56.048 0.049 0.000 1.293 1147 H CB 0.137 29.923 29.762 0.041 0.000 1.372 1147 H HN 0.439 nan 8.280 nan 0.000 0.501 1148 E N -0.665 119.601 120.200 0.110 0.000 2.318 1148 E HA -0.030 4.319 4.350 -0.003 0.000 0.193 1148 E C -0.025 176.648 176.600 0.121 0.000 0.998 1148 E CA -0.125 56.311 56.400 0.061 0.000 0.859 1148 E CB -0.148 29.617 29.700 0.109 0.000 0.812 1148 E HN 0.275 nan 8.360 nan 0.000 0.492 1149 F N 1.225 121.196 119.950 0.036 0.000 2.429 1149 F HA 0.361 4.891 4.527 0.004 0.000 0.348 1149 F C 1.470 177.277 175.800 0.011 0.000 1.109 1149 F CA -0.217 57.818 58.000 0.059 0.000 1.232 1149 F CB 1.313 40.434 39.000 0.201 0.000 1.157 1149 F HN -0.112 nan 8.300 nan 0.000 0.564 1150 G N 5.355 113.873 108.800 -0.470 0.000 3.088 1150 G HA2 0.167 4.125 3.960 -0.003 0.000 0.217 1150 G HA3 0.167 4.125 3.960 -0.003 0.000 0.217 1150 G C 0.355 174.913 174.900 -0.571 0.000 1.159 1150 G CA -0.309 44.536 45.100 -0.425 0.000 0.760 1150 G HN 0.509 nan 8.290 nan 0.000 0.550 1151 R N -0.877 119.061 120.500 -0.936 0.000 2.888 1151 R HA 0.466 4.805 4.340 -0.003 0.000 0.266 1151 R C -0.950 175.237 176.300 -0.188 0.000 1.020 1151 R CA -0.998 54.708 56.100 -0.656 0.000 0.963 1151 R CB 1.229 31.114 30.300 -0.691 0.000 1.197 1151 R HN 0.027 nan 8.270 nan 0.000 0.481 1152 F N 1.290 121.250 119.950 0.017 0.000 2.623 1152 F HA -0.077 4.445 4.527 -0.009 0.000 0.386 1152 F C 1.448 177.458 175.800 0.351 0.000 1.068 1152 F CA 0.226 58.331 58.000 0.175 0.000 1.265 1152 F CB -0.118 38.947 39.000 0.108 0.000 1.026 1152 F HN 0.495 nan 8.300 nan 0.000 0.568 1153 F N 0.786 120.992 119.950 0.427 0.000 2.206 1153 F HA -0.069 4.454 4.527 -0.007 0.000 0.298 1153 F C 1.562 177.470 175.800 0.179 0.000 1.090 1153 F CA 1.033 59.197 58.000 0.273 0.000 1.323 1153 F CB -0.314 38.781 39.000 0.158 0.000 1.028 1153 F HN 0.212 nan 8.300 nan 0.000 0.492 1154 T N 0.692 115.438 114.554 0.320 0.000 2.743 1154 T HA 0.456 4.805 4.350 -0.003 0.000 0.293 1154 T C 0.629 175.349 174.700 0.033 0.000 0.945 1154 T CA -0.329 61.840 62.100 0.115 0.000 1.030 1154 T CB 0.848 69.716 68.868 0.001 0.000 0.912 1154 T HN 0.260 nan 8.240 nan 0.000 0.483 1155 G N 2.052 110.875 108.800 0.037 0.000 2.690 1155 G HA2 0.425 4.383 3.960 -0.003 0.000 0.239 1155 G HA3 0.425 4.383 3.960 -0.003 0.000 0.239 1155 G C -0.524 174.348 174.900 -0.047 0.000 1.233 1155 G CA -0.146 44.966 45.100 0.020 0.000 0.847 1155 G HN 0.695 nan 8.290 nan 0.000 0.588 1156 Q N -0.913 118.868 119.800 -0.030 0.000 2.616 1156 Q HA 0.181 4.520 4.340 -0.003 0.000 0.254 1156 Q C -1.298 174.694 176.000 -0.012 0.000 0.975 1156 Q CA -0.745 55.016 55.803 -0.069 0.000 0.976 1156 Q CB 1.517 30.138 28.738 -0.196 0.000 1.594 1156 Q HN 0.454 nan 8.270 nan 0.000 0.425 1157 I N 2.830 123.390 120.570 -0.015 0.000 2.315 1157 I HA 0.429 4.597 4.170 -0.003 0.000 0.291 1157 I C -0.115 176.007 176.117 0.008 0.000 1.006 1157 I CA -0.057 61.246 61.300 0.005 0.000 1.265 1157 I CB 1.087 39.088 38.000 0.001 0.000 1.387 1157 I HN 0.572 nan 8.210 nan 0.000 0.475 1158 T N 4.186 118.758 114.554 0.029 0.000 2.907 1158 T HA 0.439 4.787 4.350 -0.003 0.000 0.292 1158 T C 1.106 175.825 174.700 0.033 0.000 1.043 1158 T CA -0.369 61.755 62.100 0.040 0.000 1.003 1158 T CB 2.258 71.174 68.868 0.081 0.000 1.084 1158 T HN 0.642 nan 8.240 nan 0.000 0.483 1159 A N 1.196 124.034 122.820 0.029 0.000 2.024 1159 A HA 0.177 4.495 4.320 -0.003 0.000 0.220 1159 A C 1.905 179.503 177.584 0.023 0.000 1.164 1159 A CA 1.623 53.674 52.037 0.022 0.000 0.643 1159 A CB -0.627 18.384 19.000 0.019 0.000 0.806 1159 A HN 0.895 nan 8.150 nan 0.000 0.451 1160 A N -1.095 121.744 122.820 0.031 0.000 2.462 1160 A HA 0.526 4.844 4.320 -0.003 0.000 0.261 1160 A C 0.948 178.551 177.584 0.032 0.000 1.323 1160 A CA 0.748 52.802 52.037 0.028 0.000 0.913 1160 A CB -1.081 17.936 19.000 0.028 0.000 1.028 1160 A HN 1.983 nan 8.150 nan 0.000 0.511 1161 G N -0.390 108.430 108.800 0.034 0.000 2.459 1161 G HA2 0.013 3.971 3.960 -0.003 0.000 0.685 1161 G HA3 0.013 3.971 3.960 -0.003 0.000 0.685 1161 G C -0.803 174.125 174.900 0.046 0.000 1.303 1161 G CA -1.066 44.055 45.100 0.034 0.000 0.907 1161 G HN 0.331 nan 8.290 nan 0.000 0.632 1162 K N -0.489 119.934 120.400 0.040 0.000 2.326 1162 K HA 0.488 4.806 4.320 -0.003 0.000 0.275 1162 K C 0.068 176.708 176.600 0.066 0.000 1.018 1162 K CA -0.370 55.944 56.287 0.045 0.000 0.962 1162 K CB 1.506 34.026 32.500 0.033 0.000 0.953 1162 K HN 0.395 nan 8.250 nan 0.000 0.475 1163 V N 5.326 125.295 119.914 0.093 0.000 2.448 1163 V HA 0.255 4.373 4.120 -0.003 0.000 0.295 1163 V C -1.894 174.261 176.094 0.102 0.000 1.025 1163 V CA -2.009 60.369 62.300 0.130 0.000 0.859 1163 V CB 1.251 33.241 31.823 0.279 0.000 0.988 1163 V HN 0.778 nan 8.190 nan 0.000 0.431 1164 P HA 0.308 nan 4.420 nan 0.000 0.272 1164 P C -2.786 174.565 177.300 0.084 0.000 1.230 1164 P CA -1.467 61.671 63.100 0.064 0.000 0.788 1164 P CB 0.052 31.781 31.700 0.047 0.000 0.949 1165 P HA 0.163 nan 4.420 nan 0.000 0.274 1165 P C -0.337 176.970 177.300 0.011 0.000 1.231 1165 P CA -0.186 62.944 63.100 0.051 0.000 0.790 1165 P CB 0.198 31.915 31.700 0.028 0.000 0.951 1166 A N 2.734 125.522 122.820 -0.054 0.000 2.483 1166 A HA 0.168 4.486 4.320 -0.003 0.000 0.238 1166 A C 0.097 177.539 177.584 -0.236 0.000 1.070 1166 A CA 0.119 52.016 52.037 -0.233 0.000 0.770 1166 A CB -0.307 18.249 19.000 -0.740 0.000 1.008 1166 A HN 0.452 nan 8.150 nan 0.000 0.497 1167 K N 1.119 121.389 120.400 -0.217 0.000 2.235 1167 K HA 0.542 4.861 4.320 -0.003 0.000 0.266 1167 K C -1.371 175.104 176.600 -0.207 0.000 0.980 1167 K CA -0.472 55.721 56.287 -0.157 0.000 0.849 1167 K CB 1.930 34.380 32.500 -0.083 0.000 1.098 1167 K HN 0.382 nan 8.250 nan 0.000 0.445 1168 V N 4.132 123.953 119.914 -0.154 0.000 2.487 1168 V HA 0.378 4.496 4.120 -0.003 0.000 0.298 1168 V C -0.442 175.614 176.094 -0.065 0.000 1.028 1168 V CA -0.849 61.374 62.300 -0.128 0.000 0.860 1168 V CB 1.566 33.341 31.823 -0.080 0.000 0.991 1168 V HN 0.804 nan 8.190 nan 0.000 0.427 1169 M N 5.394 124.952 119.600 -0.070 0.000 2.205 1169 M HA 0.630 5.108 4.480 -0.003 0.000 0.344 1169 M C -1.402 174.865 176.300 -0.055 0.000 1.085 1169 M CA -0.443 54.825 55.300 -0.052 0.000 1.001 1169 M CB 1.513 34.068 32.600 -0.075 0.000 1.626 1169 M HN 0.467 nan 8.290 nan 0.000 0.442 1170 V N 7.036 126.938 119.914 -0.020 0.000 2.347 1170 V HA 0.377 4.495 4.120 -0.003 0.000 0.280 1170 V C -0.108 175.977 176.094 -0.014 0.000 1.021 1170 V CA -0.516 61.777 62.300 -0.012 0.000 0.847 1170 V CB 1.179 33.019 31.823 0.029 0.000 0.990 1170 V HN 0.767 nan 8.190 nan 0.000 0.444 1171 I N 4.996 125.522 120.570 -0.073 0.000 2.291 1171 I HA 0.625 4.793 4.170 -0.003 0.000 0.292 1171 I C 0.845 176.982 176.117 0.032 0.000 1.064 1171 I CA 0.176 61.438 61.300 -0.064 0.000 1.269 1171 I CB 0.820 38.646 38.000 -0.290 0.000 1.418 1171 I HN 0.881 nan 8.210 nan 0.000 0.485 1172 G N 4.696 113.556 108.800 0.100 0.000 3.338 1172 G HA2 0.094 4.052 3.960 -0.003 0.000 0.686 1172 G HA3 0.094 4.052 3.960 -0.003 0.000 0.686 1172 G C -0.315 174.635 174.900 0.083 0.000 1.053 1172 G CA -0.336 44.822 45.100 0.096 0.000 0.852 1172 G HN 0.938 nan 8.290 nan 0.000 0.545 1173 A N 2.064 124.939 122.820 0.093 0.000 2.911 1173 A HA 0.803 5.122 4.320 -0.003 0.000 0.304 1173 A C 1.398 179.030 177.584 0.081 0.000 1.144 1173 A CA 1.068 53.164 52.037 0.098 0.000 0.988 1173 A CB -0.149 18.938 19.000 0.145 0.000 1.141 1173 A HN 2.134 nan 8.150 nan 0.000 0.552 1174 G N -0.664 108.179 108.800 0.072 0.000 2.514 1174 G HA2 0.306 4.264 3.960 -0.003 0.000 0.245 1174 G HA3 0.306 4.264 3.960 -0.003 0.000 0.245 1174 G C 1.159 176.098 174.900 0.065 0.000 1.488 1174 G CA 0.450 45.589 45.100 0.065 0.000 1.063 1174 G HN 0.229 nan 8.290 nan 0.000 0.557 1175 V N 0.898 120.851 119.914 0.066 0.000 2.343 1175 V HA -0.153 3.966 4.120 -0.003 0.000 0.247 1175 V C 3.274 179.412 176.094 0.073 0.000 1.051 1175 V CA 2.531 64.871 62.300 0.068 0.000 1.036 1175 V CB -1.113 30.753 31.823 0.072 0.000 0.654 1175 V HN 0.744 nan 8.190 nan 0.000 0.451 1176 A N 0.569 123.433 122.820 0.073 0.000 1.873 1176 A HA -0.018 4.300 4.320 -0.003 0.000 0.215 1176 A C 2.442 180.068 177.584 0.070 0.000 1.186 1176 A CA 1.762 53.843 52.037 0.074 0.000 0.616 1176 A CB -1.304 17.736 19.000 0.067 0.000 0.823 1176 A HN 0.511 nan 8.150 nan 0.000 0.442 1177 G N -0.276 108.563 108.800 0.065 0.000 2.442 1177 G HA2 -0.164 3.795 3.960 -0.003 0.000 0.219 1177 G HA3 -0.164 3.795 3.960 -0.003 0.000 0.219 1177 G C 1.545 176.487 174.900 0.069 0.000 1.141 1177 G CA 1.045 46.182 45.100 0.062 0.000 0.763 1177 G HN 0.414 nan 8.290 nan 0.000 0.554 1178 L N 0.391 121.657 121.223 0.072 0.000 2.072 1178 L HA 0.008 4.346 4.340 -0.003 0.000 0.205 1178 L C 3.417 180.332 176.870 0.076 0.000 1.079 1178 L CA 0.837 55.719 54.840 0.071 0.000 0.752 1178 L CB -0.432 41.665 42.059 0.063 0.000 0.906 1178 L HN 0.315 nan 8.230 nan 0.000 0.436 1179 A N 0.283 123.153 122.820 0.083 0.000 1.908 1179 A HA -0.241 4.077 4.320 -0.003 0.000 0.218 1179 A C 2.506 180.150 177.584 0.100 0.000 1.181 1179 A CA 1.975 54.075 52.037 0.104 0.000 0.627 1179 A CB -0.664 18.409 19.000 0.121 0.000 0.818 1179 A HN 0.425 nan 8.150 nan 0.000 0.445 1180 A N -0.232 122.634 122.820 0.077 0.000 1.898 1180 A HA -0.035 4.283 4.320 -0.003 0.000 0.216 1180 A C 2.113 179.731 177.584 0.056 0.000 1.181 1180 A CA 1.386 53.455 52.037 0.053 0.000 0.620 1180 A CB -0.589 18.436 19.000 0.043 0.000 0.819 1180 A HN 0.497 nan 8.150 nan 0.000 0.442 1181 I N -0.162 120.446 120.570 0.064 0.000 2.163 1181 I HA -0.264 3.904 4.170 -0.003 0.000 0.243 1181 I C 2.703 178.862 176.117 0.070 0.000 1.085 1181 I CA 1.283 62.624 61.300 0.068 0.000 1.347 1181 I CB -0.647 37.397 38.000 0.072 0.000 1.044 1181 I HN 0.410 nan 8.210 nan 0.000 0.408 1182 G N 0.306 109.150 108.800 0.074 0.000 2.418 1182 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.217 1182 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.217 1182 G C 1.842 176.790 174.900 0.080 0.000 1.158 1182 G CA 0.854 46.002 45.100 0.080 0.000 0.771 1182 G HN 0.507 nan 8.290 nan 0.000 0.545 1183 A N 1.050 123.912 122.820 0.069 0.000 1.898 1183 A HA 0.346 4.664 4.320 -0.003 0.000 0.216 1183 A C 2.796 180.379 177.584 -0.000 0.000 1.181 1183 A CA 2.117 54.159 52.037 0.009 0.000 0.620 1183 A CB -0.719 18.201 19.000 -0.135 0.000 0.819 1183 A HN 0.761 nan 8.150 nan 0.000 0.442 1184 A N 0.158 123.007 122.820 0.049 0.000 1.930 1184 A HA -0.166 4.152 4.320 -0.003 0.000 0.217 1184 A C 1.910 179.574 177.584 0.134 0.000 1.175 1184 A CA 1.686 53.807 52.037 0.140 0.000 0.627 1184 A CB -0.585 18.519 19.000 0.173 0.000 0.815 1184 A HN 0.516 nan 8.150 nan 0.000 0.443 1185 N N 0.455 119.209 118.700 0.090 0.000 2.166 1185 N HA -0.098 4.640 4.740 -0.003 0.000 0.186 1185 N C 1.910 177.463 175.510 0.072 0.000 1.019 1185 N CA 1.574 54.670 53.050 0.078 0.000 0.856 1185 N CB -0.429 38.096 38.487 0.064 0.000 0.993 1185 N HN 0.433 nan 8.380 nan 0.000 0.426 1186 S N 0.805 116.543 115.700 0.063 0.000 2.382 1186 S HA 0.014 4.482 4.470 -0.003 0.000 0.228 1186 S C 1.746 176.375 174.600 0.049 0.000 1.027 1186 S CA 0.568 58.800 58.200 0.052 0.000 0.991 1186 S CB -0.114 63.118 63.200 0.054 0.000 0.823 1186 S HN 0.298 nan 8.310 nan 0.000 0.469 1187 L N 1.075 122.334 121.223 0.060 0.000 2.627 1187 L HA 0.164 4.503 4.340 -0.003 0.000 0.233 1187 L C 1.582 178.547 176.870 0.158 0.000 1.144 1187 L CA 0.218 55.116 54.840 0.096 0.000 0.892 1187 L CB -0.780 41.320 42.059 0.069 0.000 1.039 1187 L HN 0.487 nan 8.230 nan 0.000 0.442 1188 G N 0.257 109.125 108.800 0.113 0.000 2.168 1188 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.257 1188 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.257 1188 G C 0.482 175.441 174.900 0.097 0.000 0.997 1188 G CA 0.232 45.387 45.100 0.092 0.000 0.708 1188 G HN 0.543 nan 8.290 nan 0.000 0.520 1189 A N -0.732 122.166 122.820 0.130 0.000 2.346 1189 A HA 0.683 5.001 4.320 -0.003 0.000 0.252 1189 A C 0.623 178.221 177.584 0.024 0.000 1.089 1189 A CA -0.010 52.058 52.037 0.052 0.000 0.797 1189 A CB 0.411 19.429 19.000 0.031 0.000 1.047 1189 A HN 0.790 nan 8.150 nan 0.000 0.494 1190 I N 1.435 121.997 120.570 -0.012 0.000 2.312 1190 I HA 0.257 4.425 4.170 -0.003 0.000 0.291 1190 I C -0.634 175.478 176.117 -0.008 0.000 1.031 1190 I CA -0.170 61.129 61.300 -0.001 0.000 1.293 1190 I CB 1.166 39.163 38.000 -0.005 0.000 1.403 1190 I HN 0.238 nan 8.210 nan 0.000 0.484 1191 V N 7.286 127.210 119.914 0.017 0.000 2.459 1191 V HA 0.498 4.616 4.120 -0.003 0.000 0.295 1191 V C 0.009 176.126 176.094 0.037 0.000 1.029 1191 V CA -0.716 61.598 62.300 0.024 0.000 0.874 1191 V CB 1.768 33.618 31.823 0.045 0.000 0.985 1191 V HN 0.666 nan 8.190 nan 0.000 0.438 1192 R N 2.438 122.957 120.500 0.032 0.000 2.637 1192 R HA 0.874 5.213 4.340 -0.003 0.000 0.291 1192 R C -0.694 175.642 176.300 0.060 0.000 0.963 1192 R CA -0.386 55.745 56.100 0.051 0.000 0.901 1192 R CB 2.204 32.526 30.300 0.037 0.000 1.160 1192 R HN 0.858 nan 8.270 nan 0.000 0.457 1193 A N 2.353 125.226 122.820 0.088 0.000 2.435 1193 A HA 0.737 5.056 4.320 -0.003 0.000 0.304 1193 A C -1.716 175.895 177.584 0.046 0.000 1.064 1193 A CA -0.543 51.550 52.037 0.094 0.000 0.727 1193 A CB 1.172 20.261 19.000 0.149 0.000 1.284 1193 A HN 0.621 nan 8.150 nan 0.000 0.415 1194 F N 1.279 121.177 119.950 -0.088 0.000 2.565 1194 F HA 0.661 5.186 4.527 -0.004 0.000 0.313 1194 F C -0.890 174.907 175.800 -0.005 0.000 1.091 1194 F CA -0.367 57.533 58.000 -0.167 0.000 0.915 1194 F CB 1.850 40.886 39.000 0.060 0.000 1.208 1194 F HN 0.614 nan 8.300 nan 0.000 0.453 1195 D N 2.068 121.939 120.400 -0.881 0.000 2.753 1195 D HA 0.157 4.796 4.640 -0.003 0.000 0.224 1195 D C 0.387 176.303 176.300 -0.639 0.000 1.213 1195 D CA -0.103 53.660 54.000 -0.396 0.000 0.833 1195 D CB 2.618 43.419 40.800 0.002 0.000 1.607 1195 D HN 0.681 nan 8.370 nan 0.000 0.463 1196 T N -0.095 114.377 114.554 -0.138 0.000 2.995 1196 T HA 0.042 4.391 4.350 -0.003 0.000 0.269 1196 T C 0.948 175.662 174.700 0.023 0.000 1.091 1196 T CA 0.437 62.565 62.100 0.047 0.000 1.128 1196 T CB 0.044 69.003 68.868 0.152 0.000 0.891 1196 T HN 0.192 nan 8.240 nan 0.000 0.492 1197 R N 2.626 123.139 120.500 0.022 0.000 2.220 1197 R HA 0.232 4.570 4.340 -0.003 0.000 0.340 1197 R C -1.711 174.625 176.300 0.060 0.000 1.076 1197 R CA -1.886 54.233 56.100 0.031 0.000 0.920 1197 R CB 0.599 30.912 30.300 0.021 0.000 1.062 1197 R HN 0.259 nan 8.270 nan 0.000 0.469 1198 P HA -0.212 nan 4.420 nan 0.000 0.222 1198 P C 0.514 177.747 177.300 -0.113 0.000 1.147 1198 P CA 1.142 64.263 63.100 0.036 0.000 0.790 1198 P CB 0.300 32.032 31.700 0.054 0.000 0.780 1199 E N 0.792 120.950 120.200 -0.071 0.000 2.331 1199 E HA -0.104 4.244 4.350 -0.003 0.000 0.199 1199 E C 1.815 178.335 176.600 -0.134 0.000 1.008 1199 E CA 1.378 57.725 56.400 -0.089 0.000 0.843 1199 E CB -1.298 28.375 29.700 -0.045 0.000 0.761 1199 E HN 0.318 nan 8.360 nan 0.000 0.507 1200 V N -1.112 118.708 119.914 -0.156 0.000 3.461 1200 V HA 0.033 4.151 4.120 -0.003 0.000 0.267 1200 V C 2.331 178.184 176.094 -0.401 0.000 1.186 1200 V CA 1.040 63.240 62.300 -0.167 0.000 1.154 1200 V CB -0.516 31.296 31.823 -0.018 0.000 0.802 1200 V HN 0.013 nan 8.190 nan 0.000 0.474 1201 K N 1.143 121.073 120.400 -0.784 0.000 2.034 1201 K HA -0.294 4.024 4.320 -0.003 0.000 0.214 1201 K C 2.127 178.422 176.600 -0.508 0.000 1.051 1201 K CA 2.614 58.184 56.287 -1.194 0.000 0.931 1201 K CB -0.252 31.694 32.500 -0.924 0.000 0.715 1201 K HN 0.547 nan 8.250 nan 0.000 0.446 1202 E N 0.166 120.186 120.200 -0.300 0.000 2.110 1202 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 1202 E C 2.105 178.643 176.600 -0.103 0.000 0.988 1202 E CA 1.604 57.909 56.400 -0.158 0.000 0.804 1202 E CB 0.126 29.761 29.700 -0.109 0.000 0.745 1202 E HN 0.435 nan 8.360 nan 0.000 0.458 1203 Q N -0.247 119.494 119.800 -0.099 0.000 2.046 1203 Q HA -0.121 4.218 4.340 -0.003 0.000 0.200 1203 Q C 2.305 178.294 176.000 -0.019 0.000 0.975 1203 Q CA 1.511 57.288 55.803 -0.043 0.000 0.836 1203 Q CB -0.220 28.504 28.738 -0.023 0.000 0.896 1203 Q HN 0.173 nan 8.270 nan 0.000 0.428 1204 V N 1.665 121.563 119.914 -0.025 0.000 2.332 1204 V HA -0.286 3.832 4.120 -0.003 0.000 0.248 1204 V C 2.215 178.342 176.094 0.055 0.000 1.055 1204 V CA 2.068 64.402 62.300 0.056 0.000 1.038 1204 V CB -0.591 31.338 31.823 0.177 0.000 0.651 1204 V HN 0.379 nan 8.190 nan 0.000 0.450 1205 Q N 0.095 119.902 119.800 0.012 0.000 2.172 1205 Q HA -0.127 4.211 4.340 -0.003 0.000 0.200 1205 Q C 2.433 178.445 176.000 0.020 0.000 0.964 1205 Q CA 1.562 57.382 55.803 0.028 0.000 0.855 1205 Q CB -0.278 28.464 28.738 0.006 0.000 0.918 1205 Q HN 0.793 nan 8.270 nan 0.000 0.444 1206 S N 0.311 116.013 115.700 0.004 0.000 2.440 1206 S HA -0.120 4.349 4.470 -0.003 0.000 0.238 1206 S C 1.674 176.286 174.600 0.021 0.000 1.010 1206 S CA 0.965 59.170 58.200 0.008 0.000 0.972 1206 S CB -0.162 63.037 63.200 -0.001 0.000 0.774 1206 S HN 0.306 nan 8.310 nan 0.000 0.501 1207 M N 0.825 120.444 119.600 0.031 0.000 2.453 1207 M HA 0.313 4.791 4.480 -0.003 0.000 0.239 1207 M C 1.369 177.696 176.300 0.045 0.000 1.151 1207 M CA 0.396 55.720 55.300 0.040 0.000 0.989 1207 M CB 0.201 32.831 32.600 0.049 0.000 1.548 1207 M HN 0.524 nan 8.290 nan 0.000 0.479 1208 G N 1.183 110.009 108.800 0.042 0.000 2.153 1208 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.252 1208 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.252 1208 G C 0.050 174.983 174.900 0.054 0.000 0.994 1208 G CA 0.234 45.360 45.100 0.044 0.000 0.698 1208 G HN 0.675 nan 8.290 nan 0.000 0.521 1209 A N -0.491 122.370 122.820 0.068 0.000 2.306 1209 A HA 0.750 5.068 4.320 -0.003 0.000 0.330 1209 A C 0.304 177.953 177.584 0.108 0.000 1.146 1209 A CA -0.137 51.950 52.037 0.083 0.000 0.827 1209 A CB 0.840 19.897 19.000 0.094 0.000 1.178 1209 A HN 0.462 nan 8.150 nan 0.000 0.490 1210 E N 1.232 121.496 120.200 0.106 0.000 2.223 1210 E HA 0.216 4.564 4.350 -0.003 0.000 0.282 1210 E C -1.442 175.273 176.600 0.193 0.000 1.046 1210 E CA -0.185 56.293 56.400 0.130 0.000 0.857 1210 E CB 0.329 30.082 29.700 0.089 0.000 1.055 1210 E HN 0.454 nan 8.360 nan 0.000 0.409 1211 F N 6.047 126.034 119.950 0.062 0.000 2.438 1211 F HA 0.218 4.743 4.527 -0.003 0.000 0.360 1211 F C -0.357 175.514 175.800 0.119 0.000 1.118 1211 F CA -0.435 57.611 58.000 0.076 0.000 1.164 1211 F CB 0.288 39.312 39.000 0.041 0.000 1.131 1211 F HN 0.387 nan 8.300 nan 0.000 0.527 1212 L N 5.249 126.389 121.223 -0.138 0.000 2.452 1212 L HA 0.271 4.610 4.340 -0.003 0.000 0.267 1212 L C 0.030 176.917 176.870 0.028 0.000 1.188 1212 L CA -0.107 54.736 54.840 0.007 0.000 0.821 1212 L CB 0.733 42.846 42.059 0.089 0.000 1.102 1212 L HN 0.564 nan 8.230 nan 0.000 0.470 1213 E N 1.080 121.324 120.200 0.074 0.000 2.277 1213 E HA 0.522 4.870 4.350 -0.003 0.000 0.266 1213 E C -0.876 175.731 176.600 0.011 0.000 0.901 1213 E CA -0.740 55.721 56.400 0.103 0.000 0.782 1213 E CB 2.294 32.051 29.700 0.096 0.000 1.228 1213 E HN 0.358 nan 8.360 nan 0.000 0.424 1214 L N 0.709 121.934 121.223 0.003 0.000 2.744 1214 L HA 0.335 4.673 4.340 -0.003 0.000 0.218 1214 L C 0.405 177.211 176.870 -0.107 0.000 1.190 1214 L CA -0.340 54.411 54.840 -0.148 0.000 0.869 1214 L CB 0.343 42.274 42.059 -0.213 0.000 1.652 1214 L HN 0.531 nan 8.230 nan 0.000 0.519 1231 S N 1.340 116.994 115.700 -0.076 0.000 3.131 1231 S HA -0.082 4.387 4.470 -0.003 0.000 0.767 1231 S C -0.331 174.305 174.600 0.061 0.000 0.744 1231 S CA 0.720 58.915 58.200 -0.008 0.000 1.466 1231 S CB -0.758 62.429 63.200 -0.022 0.000 1.035 1231 S HN 1.003 nan 8.310 nan 0.000 0.730 1232 D N 1.488 121.930 120.400 0.071 0.000 2.352 1232 D HA 0.560 5.198 4.640 -0.003 0.000 0.238 1232 D C 1.257 177.612 176.300 0.092 0.000 1.286 1232 D CA 0.670 54.729 54.000 0.098 0.000 0.923 1232 D CB -0.031 40.806 40.800 0.062 0.000 1.146 1232 D HN 1.930 nan 8.370 nan 0.000 0.471 1233 A N -0.514 122.347 122.820 0.069 0.000 4.152 1233 A HA -0.310 4.008 4.320 -0.003 0.000 0.256 1233 A C 1.419 179.041 177.584 0.064 0.000 0.844 1233 A CA 1.415 53.478 52.037 0.043 0.000 1.324 1233 A CB -2.683 16.340 19.000 0.038 0.000 1.032 1233 A HN 0.688 nan 8.150 nan 0.000 0.773 1234 F N 1.491 121.428 119.950 -0.022 0.000 2.206 1234 F HA 0.048 4.573 4.527 -0.003 0.000 0.298 1234 F C 2.078 177.845 175.800 -0.054 0.000 1.090 1234 F CA 1.829 59.815 58.000 -0.023 0.000 1.323 1234 F CB -0.176 38.829 39.000 0.009 0.000 1.028 1234 F HN 0.571 nan 8.300 nan 0.000 0.492 1235 I N -1.034 119.622 120.570 0.144 0.000 2.163 1235 I HA -0.255 3.913 4.170 -0.003 0.000 0.243 1235 I C 2.256 178.287 176.117 -0.144 0.000 1.085 1235 I CA 1.457 62.767 61.300 0.017 0.000 1.347 1235 I CB -0.702 37.336 38.000 0.062 0.000 1.044 1235 I HN -0.073 nan 8.210 nan 0.000 0.408 1236 K N 1.570 121.902 120.400 -0.113 0.000 2.063 1236 K HA -0.086 4.232 4.320 -0.003 0.000 0.208 1236 K C 2.328 178.793 176.600 -0.224 0.000 1.048 1236 K CA 1.809 58.013 56.287 -0.139 0.000 0.928 1236 K CB -0.537 31.910 32.500 -0.088 0.000 0.713 1236 K HN 0.586 nan 8.250 nan 0.000 0.442 1237 A N 0.874 123.523 122.820 -0.284 0.000 1.969 1237 A HA -0.162 4.156 4.320 -0.003 0.000 0.218 1237 A C 2.089 179.345 177.584 -0.546 0.000 1.169 1237 A CA 1.603 53.422 52.037 -0.364 0.000 0.635 1237 A CB -0.302 18.482 19.000 -0.361 0.000 0.810 1237 A HN 0.464 nan 8.150 nan 0.000 0.445 1238 E N -0.738 119.054 120.200 -0.681 0.000 2.106 1238 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 1238 E C 1.897 177.883 176.600 -1.024 0.000 0.984 1238 E CA 1.177 56.987 56.400 -0.982 0.000 0.806 1238 E CB -0.130 29.093 29.700 -0.795 0.000 0.750 1238 E HN 0.479 nan 8.360 nan 0.000 0.458 1239 M N 0.429 119.698 119.600 -0.552 0.000 2.200 1239 M HA -0.084 4.394 4.480 -0.003 0.000 0.265 1239 M C 1.921 178.053 176.300 -0.281 0.000 1.066 1239 M CA 1.319 56.415 55.300 -0.339 0.000 1.127 1239 M CB -0.693 31.811 32.600 -0.160 0.000 1.379 1239 M HN 0.144 nan 8.290 nan 0.000 0.420 1240 E N 0.442 120.471 120.200 -0.285 0.000 2.153 1240 E HA -0.195 4.153 4.350 -0.003 0.000 0.194 1240 E C 1.999 178.462 176.600 -0.230 0.000 0.988 1240 E CA 0.833 57.109 56.400 -0.208 0.000 0.811 1240 E CB -0.168 29.421 29.700 -0.186 0.000 0.746 1240 E HN 0.251 nan 8.360 nan 0.000 0.466 1241 L N 0.220 121.212 121.223 -0.386 0.000 2.017 1241 L HA -0.142 4.196 4.340 -0.003 0.000 0.208 1241 L C 1.909 178.694 176.870 -0.141 0.000 1.073 1241 L CA 1.700 56.330 54.840 -0.351 0.000 0.745 1241 L CB -0.459 41.230 42.059 -0.615 0.000 0.894 1241 L HN 0.096 nan 8.230 nan 0.000 0.432 1242 F N -0.583 119.240 119.950 -0.211 0.000 2.234 1242 F HA -0.135 4.391 4.527 -0.002 0.000 0.299 1242 F C 2.482 178.222 175.800 -0.100 0.000 1.087 1242 F CA 0.284 58.195 58.000 -0.149 0.000 1.340 1242 F CB -0.563 38.354 39.000 -0.138 0.000 1.031 1242 F HN 0.258 nan 8.300 nan 0.000 0.500 1243 A N 0.523 123.380 122.820 0.061 0.000 1.933 1243 A HA -0.122 4.196 4.320 -0.003 0.000 0.218 1243 A C 2.366 179.955 177.584 0.007 0.000 1.175 1243 A CA 1.680 53.730 52.037 0.020 0.000 0.628 1243 A CB -1.021 17.969 19.000 -0.017 0.000 0.814 1243 A HN 0.325 nan 8.150 nan 0.000 0.444 1244 A N -1.167 121.645 122.820 -0.012 0.000 1.873 1244 A HA -0.150 4.168 4.320 -0.003 0.000 0.215 1244 A C 2.133 179.717 177.584 0.000 0.000 1.186 1244 A CA 1.530 53.556 52.037 -0.017 0.000 0.616 1244 A CB -0.489 18.488 19.000 -0.039 0.000 0.823 1244 A HN 0.480 nan 8.150 nan 0.000 0.442 1245 Q N -0.477 119.334 119.800 0.018 0.000 2.124 1245 Q HA -0.115 4.223 4.340 -0.003 0.000 0.202 1245 Q C 2.373 178.378 176.000 0.008 0.000 0.977 1245 Q CA 1.488 57.303 55.803 0.020 0.000 0.850 1245 Q CB -0.653 28.114 28.738 0.048 0.000 0.901 1245 Q HN 0.660 nan 8.270 nan 0.000 0.429 1246 A N 0.975 123.805 122.820 0.017 0.000 2.019 1246 A HA -0.189 4.129 4.320 -0.003 0.000 0.219 1246 A C 2.071 179.658 177.584 0.005 0.000 1.164 1246 A CA 1.691 53.732 52.037 0.006 0.000 0.644 1246 A CB -0.275 18.737 19.000 0.020 0.000 0.805 1246 A HN 0.195 nan 8.150 nan 0.000 0.449 1247 K N -0.246 120.158 120.400 0.006 0.000 2.432 1247 K HA -0.001 4.317 4.320 -0.003 0.000 0.196 1247 K C 1.472 178.072 176.600 -0.000 0.000 1.038 1247 K CA 1.021 57.310 56.287 0.004 0.000 0.986 1247 K CB 0.036 32.538 32.500 0.003 0.000 0.782 1247 K HN 0.642 nan 8.250 nan 0.000 0.485 1248 E N -0.349 119.848 120.200 -0.004 0.000 2.340 1248 E HA 0.011 4.359 4.350 -0.003 0.000 0.198 1248 E C 0.233 176.823 176.600 -0.017 0.000 0.961 1248 E CA 0.200 56.595 56.400 -0.008 0.000 0.905 1248 E CB 0.784 30.480 29.700 -0.007 0.000 0.884 1248 E HN 0.140 nan 8.360 nan 0.000 0.491 1249 V N -0.834 119.063 119.914 -0.027 0.000 2.850 1249 V HA 0.270 4.388 4.120 -0.003 0.000 0.315 1249 V C 0.344 176.398 176.094 -0.067 0.000 1.064 1249 V CA -0.700 61.566 62.300 -0.056 0.000 0.979 1249 V CB 1.940 33.721 31.823 -0.070 0.000 1.039 1249 V HN -0.138 nan 8.190 nan 0.000 0.452 1250 D N 1.129 121.454 120.400 -0.125 0.000 2.277 1250 D HA 0.204 4.842 4.640 -0.003 0.000 0.209 1250 D C 0.323 176.465 176.300 -0.264 0.000 0.970 1250 D CA 1.210 55.112 54.000 -0.163 0.000 0.874 1250 D CB 0.618 41.263 40.800 -0.259 0.000 0.982 1250 D HN 0.412 nan 8.370 nan 0.000 0.504 1251 I N 1.588 121.980 120.570 -0.298 0.000 2.498 1251 I HA 0.375 4.544 4.170 -0.003 0.000 0.290 1251 I C -0.262 175.767 176.117 -0.145 0.000 1.032 1251 I CA -0.655 60.494 61.300 -0.252 0.000 1.073 1251 I CB 2.239 40.054 38.000 -0.309 0.000 1.251 1251 I HN -0.220 nan 8.210 nan 0.000 0.426 1252 I N 5.670 126.178 120.570 -0.102 0.000 2.436 1252 I HA 0.425 4.594 4.170 -0.003 0.000 0.289 1252 I C -0.505 175.570 176.117 -0.069 0.000 1.010 1252 I CA -0.930 60.315 61.300 -0.092 0.000 1.098 1252 I CB 2.371 40.312 38.000 -0.099 0.000 1.266 1252 I HN 0.134 nan 8.210 nan 0.000 0.434 1253 V N 4.723 124.601 119.914 -0.061 0.000 2.334 1253 V HA 0.334 4.452 4.120 -0.003 0.000 0.281 1253 V C 0.111 176.174 176.094 -0.052 0.000 1.016 1253 V CA -0.374 61.903 62.300 -0.038 0.000 0.832 1253 V CB 1.487 33.305 31.823 -0.009 0.000 0.999 1253 V HN 0.754 nan 8.190 nan 0.000 0.439 1254 T N 2.854 117.377 114.554 -0.051 0.000 2.779 1254 T HA 0.495 4.844 4.350 -0.003 0.000 0.280 1254 T C 0.574 175.264 174.700 -0.017 0.000 0.987 1254 T CA 0.231 62.297 62.100 -0.057 0.000 0.966 1254 T CB 1.112 69.928 68.868 -0.086 0.000 0.933 1254 T HN 0.920 nan 8.240 nan 0.000 0.442 1255 T N 1.367 115.923 114.554 0.003 0.000 3.275 1255 T HA 0.527 4.875 4.350 -0.003 0.000 0.298 1255 T C 0.446 175.169 174.700 0.039 0.000 0.988 1255 T CA -0.223 61.892 62.100 0.025 0.000 0.936 1255 T CB 0.136 69.026 68.868 0.037 0.000 1.159 1255 T HN 0.657 nan 8.240 nan 0.000 0.519 1256 A N 1.972 124.817 122.820 0.041 0.000 2.302 1256 A HA 0.746 5.065 4.320 -0.003 0.000 0.295 1256 A C -0.347 177.270 177.584 0.055 0.000 1.235 1256 A CA -0.444 51.632 52.037 0.065 0.000 0.876 1256 A CB -0.037 19.019 19.000 0.093 0.000 1.133 1256 A HN 0.613 nan 8.150 nan 0.000 0.533 1257 L N 2.817 124.074 121.223 0.057 0.000 2.354 1257 L HA 0.623 4.961 4.340 -0.003 0.000 0.264 1257 L C -0.504 176.401 176.870 0.058 0.000 1.008 1257 L CA -0.448 54.421 54.840 0.049 0.000 0.819 1257 L CB 2.101 44.186 42.059 0.043 0.000 1.339 1257 L HN 0.535 nan 8.230 nan 0.000 0.420 1258 I N 2.437 123.038 120.570 0.051 0.000 2.406 1258 I HA 0.334 4.502 4.170 -0.003 0.000 0.290 1258 I C -2.191 173.957 176.117 0.051 0.000 0.999 1258 I CA -1.900 59.431 61.300 0.051 0.000 1.124 1258 I CB 1.892 39.920 38.000 0.046 0.000 1.289 1258 I HN 0.317 nan 8.210 nan 0.000 0.441 1259 P HA 0.071 nan 4.420 nan 0.000 0.261 1259 P C 0.681 178.020 177.300 0.066 0.000 1.203 1259 P CA 0.608 63.753 63.100 0.074 0.000 0.767 1259 P CB 0.459 32.208 31.700 0.081 0.000 0.785 1260 G N 1.874 110.714 108.800 0.066 0.000 2.141 1260 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.195 1260 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.195 1260 G C -0.158 174.766 174.900 0.039 0.000 1.012 1260 G CA -0.405 44.732 45.100 0.061 0.000 0.696 1260 G HN 0.597 nan 8.290 nan 0.000 0.508 1261 K N -0.330 120.086 120.400 0.027 0.000 2.548 1261 K HA 0.564 4.882 4.320 -0.003 0.000 0.282 1261 K C -2.476 174.126 176.600 0.004 0.000 1.006 1261 K CA -1.525 54.772 56.287 0.017 0.000 0.892 1261 K CB 2.374 34.888 32.500 0.024 0.000 1.499 1261 K HN 0.073 nan 8.250 nan 0.000 0.433 1262 P HA 0.200 nan 4.420 nan 0.000 0.274 1262 P C -1.116 176.185 177.300 0.000 0.000 1.256 1262 P CA -0.521 62.574 63.100 -0.008 0.000 0.795 1262 P CB 0.453 32.148 31.700 -0.009 0.000 1.038 1263 A N 1.937 124.754 122.820 -0.004 0.000 2.362 1263 A HA 0.459 4.777 4.320 -0.003 0.000 0.276 1263 A C -2.038 175.554 177.584 0.013 0.000 1.153 1263 A CA -1.362 50.679 52.037 0.006 0.000 0.813 1263 A CB -0.835 18.164 19.000 -0.003 0.000 1.081 1263 A HN 0.400 nan 8.150 nan 0.000 0.507 1264 P HA 0.146 nan 4.420 nan 0.000 0.271 1264 P C -0.830 176.492 177.300 0.036 0.000 1.220 1264 P CA -0.280 62.844 63.100 0.041 0.000 0.768 1264 P CB 0.506 32.248 31.700 0.070 0.000 0.848 1265 K N 3.284 123.697 120.400 0.022 0.000 2.351 1265 K HA 0.144 4.463 4.320 -0.003 0.000 0.287 1265 K C 0.985 177.612 176.600 0.045 0.000 1.068 1265 K CA 0.230 56.525 56.287 0.014 0.000 0.998 1265 K CB -0.672 31.822 32.500 -0.010 0.000 0.968 1265 K HN 0.465 nan 8.250 nan 0.000 0.464 1266 L N 2.204 123.466 121.223 0.065 0.000 2.470 1266 L HA 0.239 4.577 4.340 -0.003 0.000 0.219 1266 L C 0.233 177.181 176.870 0.131 0.000 1.071 1266 L CA 0.164 55.090 54.840 0.144 0.000 0.850 1266 L CB 0.299 42.465 42.059 0.178 0.000 1.040 1266 L HN 0.401 nan 8.230 nan 0.000 0.475 1267 I N 0.936 121.529 120.570 0.038 0.000 2.410 1267 I HA 0.221 4.389 4.170 -0.003 0.000 0.286 1267 I C 0.427 176.540 176.117 -0.007 0.000 1.009 1267 I CA -0.126 61.185 61.300 0.018 0.000 1.111 1267 I CB 1.193 39.181 38.000 -0.020 0.000 1.262 1267 I HN 0.030 nan 8.210 nan 0.000 0.443 1268 T N 2.708 117.253 114.554 -0.015 0.000 2.862 1268 T HA 0.446 4.794 4.350 -0.003 0.000 0.276 1268 T C 1.252 175.882 174.700 -0.117 0.000 0.974 1268 T CA -0.618 61.438 62.100 -0.073 0.000 0.966 1268 T CB 1.666 70.499 68.868 -0.057 0.000 1.072 1268 T HN 0.524 nan 8.240 nan 0.000 0.538 1269 R N -0.032 120.313 120.500 -0.258 0.000 2.120 1269 R HA -0.076 4.262 4.340 -0.003 0.000 0.234 1269 R C 2.391 178.639 176.300 -0.087 0.000 1.123 1269 R CA 1.527 57.369 56.100 -0.431 0.000 0.975 1269 R CB -0.217 29.696 30.300 -0.646 0.000 0.866 1269 R HN 0.811 nan 8.270 nan 0.000 0.446 1270 E N 0.485 120.652 120.200 -0.055 0.000 2.107 1270 E HA -0.128 4.220 4.350 -0.003 0.000 0.191 1270 E C 1.947 178.565 176.600 0.031 0.000 0.982 1270 E CA 0.775 57.177 56.400 0.004 0.000 0.809 1270 E CB 0.142 29.834 29.700 -0.013 0.000 0.756 1270 E HN 0.245 nan 8.360 nan 0.000 0.459 1271 M N -0.055 119.559 119.600 0.024 0.000 2.059 1271 M HA -0.194 4.284 4.480 -0.003 0.000 0.259 1271 M C 2.341 178.682 176.300 0.068 0.000 1.072 1271 M CA 1.304 56.627 55.300 0.039 0.000 1.117 1271 M CB -0.293 32.329 32.600 0.038 0.000 1.320 1271 M HN 0.046 nan 8.290 nan 0.000 0.408 1272 V N 0.596 120.575 119.914 0.110 0.000 2.317 1272 V HA -0.320 3.798 4.120 -0.003 0.000 0.251 1272 V C 1.725 177.909 176.094 0.149 0.000 1.065 1272 V CA 2.044 64.442 62.300 0.163 0.000 1.049 1272 V CB -0.997 31.025 31.823 0.332 0.000 0.651 1272 V HN 0.442 nan 8.190 nan 0.000 0.450 1273 D N 0.414 120.922 120.400 0.180 0.000 2.263 1273 D HA -0.098 4.540 4.640 -0.003 0.000 0.208 1273 D C 2.337 178.681 176.300 0.073 0.000 0.971 1273 D CA 1.648 55.730 54.000 0.138 0.000 0.867 1273 D CB -0.117 40.766 40.800 0.139 0.000 0.929 1273 D HN 0.669 nan 8.370 nan 0.000 0.492 1274 S N -0.758 114.977 115.700 0.060 0.000 2.527 1274 S HA 0.049 4.517 4.470 -0.003 0.000 0.222 1274 S C 1.109 175.727 174.600 0.029 0.000 0.985 1274 S CA -0.172 58.050 58.200 0.036 0.000 0.921 1274 S CB -0.032 63.184 63.200 0.027 0.000 0.772 1274 S HN 0.065 nan 8.310 nan 0.000 0.529 1275 M N 1.929 121.550 119.600 0.034 0.000 2.226 1275 M HA 0.230 4.708 4.480 -0.003 0.000 0.324 1275 M C 0.391 176.704 176.300 0.020 0.000 1.112 1275 M CA -0.198 55.116 55.300 0.025 0.000 1.176 1275 M CB 0.388 33.004 32.600 0.026 0.000 1.430 1275 M HN 0.100 nan 8.290 nan 0.000 0.462 1276 K N 1.626 122.037 120.400 0.019 0.000 2.484 1276 K HA 0.228 4.547 4.320 -0.003 0.000 0.280 1276 K C -0.429 176.185 176.600 0.022 0.000 1.013 1276 K CA -0.307 55.992 56.287 0.019 0.000 1.029 1276 K CB 0.526 33.042 32.500 0.026 0.000 0.902 1276 K HN 0.753 nan 8.250 nan 0.000 0.481 1277 A N 3.115 125.939 122.820 0.007 0.000 2.531 1277 A HA 0.336 4.655 4.320 -0.003 0.000 0.236 1277 A C 1.208 178.795 177.584 0.006 0.000 1.062 1277 A CA 0.706 52.740 52.037 -0.004 0.000 0.760 1277 A CB -0.353 18.635 19.000 -0.020 0.000 0.995 1277 A HN 1.159 nan 8.150 nan 0.000 0.501 1278 G N 1.321 110.126 108.800 0.007 0.000 2.176 1278 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.253 1278 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.253 1278 G C 0.574 175.572 174.900 0.164 0.000 0.979 1278 G CA 0.449 45.569 45.100 0.033 0.000 0.641 1278 G HN 1.171 nan 8.290 nan 0.000 0.530 1279 S N -0.879 114.899 115.700 0.130 0.000 2.589 1279 S HA 0.573 5.042 4.470 -0.003 0.000 0.265 1279 S C 0.386 175.041 174.600 0.092 0.000 1.342 1279 S CA 0.205 58.483 58.200 0.130 0.000 1.005 1279 S CB 2.013 65.243 63.200 0.051 0.000 0.909 1279 S HN 0.870 nan 8.310 nan 0.000 0.555 1280 V N 2.417 122.348 119.914 0.027 0.000 2.709 1280 V HA 0.506 4.624 4.120 -0.003 0.000 0.308 1280 V C -0.565 175.513 176.094 -0.026 0.000 1.062 1280 V CA -0.600 61.709 62.300 0.014 0.000 0.901 1280 V CB 1.723 33.571 31.823 0.043 0.000 1.003 1280 V HN 0.708 nan 8.190 nan 0.000 0.425 1281 I N 3.915 124.477 120.570 -0.014 0.000 2.406 1281 I HA 0.481 4.649 4.170 -0.003 0.000 0.290 1281 I C -0.831 175.267 176.117 -0.032 0.000 0.999 1281 I CA -0.822 60.464 61.300 -0.023 0.000 1.124 1281 I CB 2.121 40.121 38.000 -0.000 0.000 1.289 1281 I HN 0.271 nan 8.210 nan 0.000 0.441 1282 V N 4.640 124.533 119.914 -0.035 0.000 2.347 1282 V HA 0.216 4.334 4.120 -0.003 0.000 0.280 1282 V C -0.259 175.813 176.094 -0.036 0.000 1.021 1282 V CA -0.447 61.828 62.300 -0.042 0.000 0.847 1282 V CB 1.622 33.432 31.823 -0.022 0.000 0.990 1282 V HN 0.619 nan 8.190 nan 0.000 0.444 1283 D N 4.412 124.786 120.400 -0.042 0.000 2.485 1283 D HA 0.278 4.916 4.640 -0.003 0.000 0.221 1283 D C 0.578 176.868 176.300 -0.016 0.000 1.112 1283 D CA -0.373 53.610 54.000 -0.028 0.000 0.911 1283 D CB 1.419 42.204 40.800 -0.025 0.000 1.019 1283 D HN 0.311 nan 8.370 nan 0.000 0.516 1284 L N 2.663 123.884 121.223 -0.004 0.000 2.551 1284 L HA 0.120 4.458 4.340 -0.003 0.000 0.228 1284 L C 2.030 178.905 176.870 0.008 0.000 1.153 1284 L CA 0.702 55.549 54.840 0.012 0.000 0.851 1284 L CB -0.144 41.929 42.059 0.023 0.000 0.959 1284 L HN 0.482 nan 8.230 nan 0.000 0.451 1285 A N -1.153 121.667 122.820 0.000 0.000 2.370 1285 A HA 0.417 4.736 4.320 -0.003 0.000 0.238 1285 A C 2.262 179.837 177.584 -0.015 0.000 1.289 1285 A CA 0.631 52.665 52.037 -0.004 0.000 0.885 1285 A CB -0.474 18.526 19.000 0.001 0.000 0.961 1285 A HN 0.263 nan 8.150 nan 0.000 0.499 1286 A N 0.706 123.518 122.820 -0.013 0.000 1.940 1286 A HA -0.233 4.085 4.320 -0.003 0.000 0.219 1286 A C 2.149 179.717 177.584 -0.027 0.000 1.176 1286 A CA 1.682 53.709 52.037 -0.017 0.000 0.631 1286 A CB -0.390 18.605 19.000 -0.007 0.000 0.814 1286 A HN 0.690 nan 8.150 nan 0.000 0.446 1287 Q N 0.104 119.883 119.800 -0.035 0.000 2.224 1287 Q HA -0.151 4.187 4.340 -0.003 0.000 0.203 1287 Q C 0.247 176.201 176.000 -0.078 0.000 0.970 1287 Q CA 1.634 57.400 55.803 -0.061 0.000 0.865 1287 Q CB -0.791 27.896 28.738 -0.085 0.000 0.922 1287 Q HN 0.810 nan 8.270 nan 0.000 0.445 1288 N N 0.526 119.187 118.700 -0.066 0.000 2.295 1288 N HA 0.310 5.048 4.740 -0.003 0.000 0.221 1288 N C 0.572 176.056 175.510 -0.043 0.000 1.129 1288 N CA 0.503 53.516 53.050 -0.063 0.000 0.836 1288 N CB 0.991 39.446 38.487 -0.053 0.000 1.040 1288 N HN 0.459 nan 8.380 nan 0.000 0.494 1289 G N -0.414 108.362 108.800 -0.040 0.000 2.217 1289 G HA2 -0.104 3.855 3.960 -0.003 0.000 0.246 1289 G HA3 -0.104 3.855 3.960 -0.003 0.000 0.246 1289 G C 0.489 175.372 174.900 -0.029 0.000 0.990 1289 G CA -0.063 45.017 45.100 -0.034 0.000 0.627 1289 G HN 0.941 nan 8.290 nan 0.000 0.522 1290 G N -0.658 108.128 108.800 -0.023 0.000 2.721 1290 G HA2 0.044 4.002 3.960 -0.003 0.000 0.686 1290 G HA3 0.044 4.002 3.960 -0.003 0.000 0.686 1290 G C 0.222 175.114 174.900 -0.014 0.000 1.236 1290 G CA 0.405 45.494 45.100 -0.019 0.000 0.786 1290 G HN 0.837 nan 8.290 nan 0.000 0.616 1291 N N -0.903 117.791 118.700 -0.010 0.000 2.457 1291 N HA -0.010 4.728 4.740 -0.003 0.000 0.180 1291 N C 0.930 176.433 175.510 -0.012 0.000 1.050 1291 N CA 1.232 54.279 53.050 -0.005 0.000 0.906 1291 N CB 0.138 38.619 38.487 -0.010 0.000 0.968 1291 N HN 0.736 nan 8.380 nan 0.000 0.445 1292 C N 1.004 120.295 119.300 -0.016 0.000 2.329 1292 C HA 0.267 4.725 4.460 -0.003 0.000 0.329 1292 C C 1.749 176.720 174.990 -0.031 0.000 1.275 1292 C CA -0.698 58.313 59.018 -0.011 0.000 1.726 1292 C CB 0.464 28.213 27.740 0.014 0.000 2.291 1292 C HN 0.373 nan 8.230 nan 0.000 0.514 1293 E N 1.923 122.079 120.200 -0.075 0.000 2.268 1293 E HA -0.138 4.210 4.350 -0.003 0.000 0.195 1293 E C 0.394 176.883 176.600 -0.186 0.000 0.995 1293 E CA 1.446 57.754 56.400 -0.153 0.000 0.836 1293 E CB 0.074 29.630 29.700 -0.240 0.000 0.763 1293 E HN 0.863 nan 8.360 nan 0.000 0.491 1294 Y N 0.565 120.802 120.300 -0.106 0.000 2.511 1294 Y HA 0.045 4.594 4.550 -0.002 0.000 0.279 1294 Y C 0.793 176.547 175.900 -0.243 0.000 1.157 1294 Y CA 0.293 58.273 58.100 -0.200 0.000 1.300 1294 Y CB 0.154 38.579 38.460 -0.060 0.000 1.052 1294 Y HN -0.219 nan 8.280 nan 0.000 0.529 1295 T N 1.308 115.869 114.554 0.012 0.000 2.908 1295 T HA 0.171 4.519 4.350 -0.003 0.000 0.301 1295 T C -0.102 174.562 174.700 -0.060 0.000 1.019 1295 T CA 0.187 62.280 62.100 -0.011 0.000 1.152 1295 T CB 0.615 69.476 68.868 -0.012 0.000 0.966 1295 T HN -0.235 nan 8.240 nan 0.000 0.540 1296 V N 8.076 127.971 119.914 -0.032 0.000 2.293 1296 V HA 0.262 4.380 4.120 -0.003 0.000 0.275 1296 V C -2.112 173.988 176.094 0.011 0.000 1.021 1296 V CA -2.106 60.181 62.300 -0.021 0.000 0.815 1296 V CB 0.982 32.817 31.823 0.019 0.000 1.025 1296 V HN 0.697 nan 8.190 nan 0.000 0.448 1297 P HA 0.188 nan 4.420 nan 0.000 0.264 1297 P C 1.126 178.453 177.300 0.046 0.000 1.183 1297 P CA 1.465 64.574 63.100 0.015 0.000 0.763 1297 P CB 0.673 32.371 31.700 -0.004 0.000 0.807 1298 G N 1.657 110.508 108.800 0.086 0.000 2.267 1298 G HA2 -0.236 3.723 3.960 -0.003 0.000 0.257 1298 G HA3 -0.236 3.723 3.960 -0.003 0.000 0.257 1298 G C 0.038 175.067 174.900 0.215 0.000 0.998 1298 G CA 0.046 45.230 45.100 0.140 0.000 0.620 1298 G HN 0.566 nan 8.290 nan 0.000 0.529 1299 E N -0.819 119.471 120.200 0.149 0.000 2.378 1299 E HA 0.701 5.049 4.350 -0.003 0.000 0.265 1299 E C -0.414 176.198 176.600 0.019 0.000 0.932 1299 E CA -1.113 55.378 56.400 0.151 0.000 0.795 1299 E CB 1.849 31.626 29.700 0.128 0.000 1.296 1299 E HN 0.197 nan 8.360 nan 0.000 0.438 1300 I N 1.824 122.414 120.570 0.033 0.000 2.331 1300 I HA 0.241 4.410 4.170 -0.003 0.000 0.292 1300 I C -0.820 175.344 176.117 0.078 0.000 0.998 1300 I CA -0.422 60.866 61.300 -0.021 0.000 1.267 1300 I CB 0.503 38.490 38.000 -0.022 0.000 1.386 1300 I HN 0.332 nan 8.210 nan 0.000 0.476 1301 F N 5.470 125.380 119.950 -0.067 0.000 2.436 1301 F HA 0.417 4.943 4.527 -0.001 0.000 0.340 1301 F C -0.049 175.688 175.800 -0.105 0.000 1.113 1301 F CA -0.270 57.690 58.000 -0.068 0.000 1.022 1301 F CB 1.456 40.423 39.000 -0.055 0.000 1.128 1301 F HN 0.258 nan 8.300 nan 0.000 0.466 1302 T N 4.748 118.813 114.554 -0.816 0.000 2.756 1302 T HA 0.296 4.645 4.350 -0.003 0.000 0.290 1302 T C 0.130 174.310 174.700 -0.867 0.000 0.985 1302 T CA -0.542 61.194 62.100 -0.607 0.000 0.955 1302 T CB 0.644 69.294 68.868 -0.363 0.000 0.930 1302 T HN 0.753 nan 8.240 nan 0.000 0.451 1303 T N 1.113 115.339 114.554 -0.547 0.000 2.766 1303 T HA 0.215 4.563 4.350 -0.003 0.000 0.295 1303 T C 1.285 175.822 174.700 -0.272 0.000 1.024 1303 T CA -0.501 61.338 62.100 -0.435 0.000 1.018 1303 T CB 0.821 69.434 68.868 -0.426 0.000 1.002 1303 T HN 0.580 nan 8.240 nan 0.000 0.532 1304 E N 0.868 120.972 120.200 -0.160 0.000 2.150 1304 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 1304 E C 1.927 178.486 176.600 -0.070 0.000 0.985 1304 E CA 1.082 57.429 56.400 -0.088 0.000 0.814 1304 E CB -0.084 29.604 29.700 -0.020 0.000 0.752 1304 E HN 0.767 nan 8.360 nan 0.000 0.466 1305 N N -0.253 118.414 118.700 -0.056 0.000 2.461 1305 N HA -0.036 4.702 4.740 -0.003 0.000 0.188 1305 N C 0.852 176.332 175.510 -0.050 0.000 1.134 1305 N CA 1.066 54.094 53.050 -0.036 0.000 0.878 1305 N CB 0.768 39.253 38.487 -0.003 0.000 0.972 1305 N HN 0.155 nan 8.380 nan 0.000 0.456 1306 G N -0.473 108.277 108.800 -0.085 0.000 2.140 1306 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.211 1306 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.211 1306 G C -0.628 174.232 174.900 -0.066 0.000 1.013 1306 G CA 0.025 45.075 45.100 -0.083 0.000 0.705 1306 G HN 0.257 nan 8.290 nan 0.000 0.508 1307 V N 0.743 120.609 119.914 -0.080 0.000 2.407 1307 V HA 0.406 4.524 4.120 -0.003 0.000 0.278 1307 V C 0.659 176.711 176.094 -0.069 0.000 1.037 1307 V CA -0.580 61.692 62.300 -0.046 0.000 0.900 1307 V CB 1.604 33.415 31.823 -0.020 0.000 0.983 1307 V HN 0.304 nan 8.190 nan 0.000 0.459 1308 K N 3.849 124.230 120.400 -0.031 0.000 2.285 1308 K HA 0.439 4.757 4.320 -0.003 0.000 0.286 1308 K C -0.837 175.756 176.600 -0.010 0.000 1.072 1308 K CA -0.363 55.904 56.287 -0.034 0.000 0.913 1308 K CB 1.362 33.855 32.500 -0.013 0.000 1.067 1308 K HN 0.467 nan 8.250 nan 0.000 0.479 1309 V N 6.049 125.970 119.914 0.012 0.000 2.334 1309 V HA 0.228 4.346 4.120 -0.003 0.000 0.267 1309 V C 0.158 176.234 176.094 -0.031 0.000 1.040 1309 V CA -0.624 61.697 62.300 0.034 0.000 0.866 1309 V CB 0.285 32.187 31.823 0.131 0.000 1.019 1309 V HN 0.634 nan 8.190 nan 0.000 0.468 1310 I N 4.210 124.716 120.570 -0.106 0.000 2.312 1310 I HA 0.397 4.565 4.170 -0.003 0.000 0.291 1310 I C 1.215 177.176 176.117 -0.259 0.000 1.031 1310 I CA 0.277 61.407 61.300 -0.282 0.000 1.293 1310 I CB 1.223 39.033 38.000 -0.315 0.000 1.403 1310 I HN 0.694 nan 8.210 nan 0.000 0.484 1311 G N 5.771 114.396 108.800 -0.292 0.000 3.899 1311 G HA2 0.158 4.117 3.960 -0.003 0.000 0.293 1311 G HA3 0.158 4.117 3.960 -0.003 0.000 0.293 1311 G C -0.035 174.838 174.900 -0.045 0.000 1.054 1311 G CA -0.219 44.803 45.100 -0.128 0.000 0.846 1311 G HN 0.353 nan 8.290 nan 0.000 0.525 1312 Y N 1.343 121.655 120.300 0.020 0.000 2.805 1312 Y HA 0.105 4.652 4.550 -0.005 0.000 0.337 1312 Y C 1.923 177.821 175.900 -0.003 0.000 1.252 1312 Y CA 0.370 58.476 58.100 0.009 0.000 1.515 1312 Y CB 0.495 38.960 38.460 0.009 0.000 1.305 1312 Y HN 0.140 nan 8.280 nan 0.000 0.600 1313 T N -2.869 111.776 114.554 0.152 0.000 3.134 1313 T HA 0.102 4.450 4.350 -0.003 0.000 0.260 1313 T C -0.049 174.669 174.700 0.030 0.000 1.027 1313 T CA 0.128 62.262 62.100 0.057 0.000 0.913 1313 T CB -0.216 68.662 68.868 0.016 0.000 1.046 1313 T HN 0.647 nan 8.240 nan 0.000 0.553 1314 D N 0.663 121.093 120.400 0.050 0.000 2.992 1314 D HA 0.167 4.806 4.640 -0.003 0.000 0.372 1314 D C 1.062 177.371 176.300 0.015 0.000 1.374 1314 D CA -0.532 53.471 54.000 0.005 0.000 0.769 1314 D CB -0.614 40.171 40.800 -0.025 0.000 1.215 1314 D HN 0.284 nan 8.370 nan 0.000 0.473 1315 L N -0.068 121.189 121.223 0.055 0.000 2.046 1315 L HA -0.040 4.298 4.340 -0.003 0.000 0.208 1315 L C -0.534 176.363 176.870 0.046 0.000 1.077 1315 L CA 1.453 56.334 54.840 0.069 0.000 0.747 1315 L CB -1.453 40.666 42.059 0.099 0.000 0.896 1315 L HN 0.137 nan 8.230 nan 0.000 0.432 1316 P HA -0.120 nan 4.420 nan 0.000 0.218 1316 P C 1.497 178.806 177.300 0.015 0.000 1.149 1316 P CA 1.638 64.757 63.100 0.033 0.000 0.817 1316 P CB -0.180 31.532 31.700 0.021 0.000 0.785 1317 G N -0.303 108.493 108.800 -0.006 0.000 2.572 1317 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.216 1317 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.216 1317 G C 1.441 176.323 174.900 -0.031 0.000 1.133 1317 G CA 0.003 45.093 45.100 -0.017 0.000 0.791 1317 G HN 0.252 nan 8.290 nan 0.000 0.538 1318 R N -0.908 119.571 120.500 -0.034 0.000 2.319 1318 R HA 0.256 4.594 4.340 -0.003 0.000 0.204 1318 R C -0.067 176.225 176.300 -0.013 0.000 0.954 1318 R CA -0.026 56.043 56.100 -0.051 0.000 1.066 1318 R CB 0.123 30.376 30.300 -0.078 0.000 0.991 1318 R HN 0.229 nan 8.270 nan 0.000 0.486 1319 L N 0.837 122.066 121.223 0.009 0.000 2.725 1319 L HA 0.271 4.609 4.340 -0.003 0.000 0.270 1319 L C -2.112 174.764 176.870 0.010 0.000 1.422 1319 L CA -1.582 53.270 54.840 0.020 0.000 0.770 1319 L CB 1.487 43.582 42.059 0.059 0.000 1.081 1319 L HN -0.163 nan 8.230 nan 0.000 0.527 1320 P HA -0.086 nan 4.420 nan 0.000 0.217 1320 P C 1.200 178.524 177.300 0.040 0.000 1.151 1320 P CA 1.241 64.349 63.100 0.013 0.000 0.828 1320 P CB 0.243 31.936 31.700 -0.012 0.000 0.788 1321 T N 0.006 114.539 114.554 -0.035 0.000 2.708 1321 T HA -0.174 4.174 4.350 -0.003 0.000 0.266 1321 T C 2.053 176.820 174.700 0.111 0.000 1.037 1321 T CA 1.607 63.673 62.100 -0.057 0.000 1.146 1321 T CB -0.667 68.067 68.868 -0.223 0.000 0.865 1321 T HN 0.105 nan 8.240 nan 0.000 0.435 1322 Q N 1.015 120.843 119.800 0.045 0.000 2.123 1322 Q HA 0.027 4.365 4.340 -0.003 0.000 0.199 1322 Q C 2.472 178.523 176.000 0.085 0.000 0.966 1322 Q CA 1.360 57.190 55.803 0.045 0.000 0.845 1322 Q CB -0.488 28.230 28.738 -0.033 0.000 0.907 1322 Q HN 0.394 nan 8.270 nan 0.000 0.439 1323 S N -0.457 115.297 115.700 0.091 0.000 2.382 1323 S HA -0.107 4.361 4.470 -0.003 0.000 0.228 1323 S C 1.998 176.712 174.600 0.190 0.000 1.027 1323 S CA 1.147 59.420 58.200 0.121 0.000 0.991 1323 S CB -0.276 62.977 63.200 0.089 0.000 0.823 1323 S HN 0.374 nan 8.310 nan 0.000 0.469 1324 S N 1.265 117.094 115.700 0.215 0.000 2.355 1324 S HA -0.139 4.329 4.470 -0.003 0.000 0.222 1324 S C 2.011 176.744 174.600 0.221 0.000 1.031 1324 S CA 1.273 59.637 58.200 0.274 0.000 0.993 1324 S CB -0.433 62.984 63.200 0.362 0.000 0.859 1324 S HN 0.425 nan 8.310 nan 0.000 0.453 1325 Q N 1.607 121.529 119.800 0.203 0.000 2.045 1325 Q HA -0.088 4.250 4.340 -0.003 0.000 0.206 1325 Q C 1.915 177.961 176.000 0.078 0.000 0.991 1325 Q CA 1.773 57.641 55.803 0.108 0.000 0.851 1325 Q CB -0.666 28.143 28.738 0.119 0.000 0.911 1325 Q HN 0.553 nan 8.270 nan 0.000 0.418 1326 L N -1.082 120.203 121.223 0.103 0.000 2.109 1326 L HA -0.114 4.224 4.340 -0.003 0.000 0.207 1326 L C 2.335 179.268 176.870 0.104 0.000 1.086 1326 L CA 1.222 56.113 54.840 0.085 0.000 0.760 1326 L CB -0.704 41.407 42.059 0.087 0.000 0.910 1326 L HN 0.295 nan 8.230 nan 0.000 0.437 1327 Y N 1.362 121.695 120.300 0.055 0.000 2.181 1327 Y HA -0.144 4.404 4.550 -0.003 0.000 0.288 1327 Y C 2.346 178.252 175.900 0.009 0.000 1.146 1327 Y CA 1.452 59.583 58.100 0.052 0.000 1.164 1327 Y CB -0.594 37.930 38.460 0.107 0.000 0.982 1327 Y HN 0.051 nan 8.280 nan 0.000 0.515 1328 G N -1.496 107.269 108.800 -0.058 0.000 2.443 1328 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.219 1328 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.219 1328 G C 1.590 176.392 174.900 -0.163 0.000 1.131 1328 G CA 1.348 46.357 45.100 -0.152 0.000 0.775 1328 G HN 0.436 nan 8.290 nan 0.000 0.547 1329 T N 0.908 115.400 114.554 -0.103 0.000 2.812 1329 T HA -0.094 4.254 4.350 -0.003 0.000 0.264 1329 T C 2.210 176.842 174.700 -0.114 0.000 1.042 1329 T CA 1.202 63.252 62.100 -0.084 0.000 1.140 1329 T CB -0.322 68.523 68.868 -0.040 0.000 0.870 1329 T HN 0.436 nan 8.240 nan 0.000 0.445 1330 N N 1.128 119.744 118.700 -0.139 0.000 2.061 1330 N HA -0.079 4.659 4.740 -0.003 0.000 0.193 1330 N C 1.761 177.132 175.510 -0.232 0.000 1.030 1330 N CA 1.122 54.072 53.050 -0.167 0.000 0.856 1330 N CB -0.392 37.994 38.487 -0.168 0.000 1.023 1330 N HN 0.282 nan 8.380 nan 0.000 0.424 1331 L N 0.287 121.299 121.223 -0.353 0.000 2.056 1331 L HA -0.106 4.232 4.340 -0.003 0.000 0.207 1331 L C 2.224 178.970 176.870 -0.207 0.000 1.078 1331 L CA 0.670 55.314 54.840 -0.326 0.000 0.749 1331 L CB -0.626 41.187 42.059 -0.410 0.000 0.901 1331 L HN 0.075 nan 8.230 nan 0.000 0.433 1332 V N 0.494 120.306 119.914 -0.169 0.000 2.324 1332 V HA -0.309 3.809 4.120 -0.003 0.000 0.250 1332 V C 2.214 178.267 176.094 -0.068 0.000 1.060 1332 V CA 2.009 64.248 62.300 -0.101 0.000 1.042 1332 V CB -0.696 31.082 31.823 -0.074 0.000 0.650 1332 V HN 0.511 nan 8.190 nan 0.000 0.450 1333 N N -0.260 118.395 118.700 -0.075 0.000 2.331 1333 N HA -0.084 4.654 4.740 -0.003 0.000 0.180 1333 N C 1.581 177.064 175.510 -0.046 0.000 1.019 1333 N CA 1.042 54.063 53.050 -0.048 0.000 0.881 1333 N CB -0.294 38.166 38.487 -0.045 0.000 0.972 1333 N HN 0.477 nan 8.380 nan 0.000 0.435 1334 L N 0.543 121.722 121.223 -0.075 0.000 2.072 1334 L HA 0.089 4.427 4.340 -0.003 0.000 0.205 1334 L C 1.813 178.661 176.870 -0.036 0.000 1.079 1334 L CA 1.240 56.042 54.840 -0.064 0.000 0.752 1334 L CB -0.466 41.531 42.059 -0.104 0.000 0.906 1334 L HN 0.032 nan 8.230 nan 0.000 0.436 1335 L N -0.597 120.599 121.223 -0.045 0.000 2.141 1335 L HA -0.161 4.178 4.340 -0.003 0.000 0.209 1335 L C 2.526 179.441 176.870 0.076 0.000 1.094 1335 L CA 1.081 55.926 54.840 0.009 0.000 0.763 1335 L CB -0.489 41.545 42.059 -0.042 0.000 0.908 1335 L HN 0.249 nan 8.230 nan 0.000 0.437 1336 K N -0.297 120.129 120.400 0.044 0.000 2.103 1336 K HA -0.204 4.114 4.320 -0.003 0.000 0.207 1336 K C 1.950 178.569 176.600 0.032 0.000 1.048 1336 K CA 1.107 57.418 56.287 0.041 0.000 0.930 1336 K CB -0.101 32.409 32.500 0.018 0.000 0.716 1336 K HN 0.076 nan 8.250 nan 0.000 0.444 1337 L N 0.482 121.719 121.223 0.022 0.000 2.093 1337 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 1337 L C 1.885 178.777 176.870 0.036 0.000 1.085 1337 L CA 1.589 56.442 54.840 0.023 0.000 0.755 1337 L CB -0.434 41.634 42.059 0.016 0.000 0.904 1337 L HN 0.170 nan 8.230 nan 0.000 0.435 1338 L N -2.419 118.833 121.223 0.049 0.000 2.446 1338 L HA -0.020 4.318 4.340 -0.003 0.000 0.219 1338 L C 0.987 177.903 176.870 0.077 0.000 1.116 1338 L CA 0.128 55.006 54.840 0.063 0.000 0.844 1338 L CB 0.038 42.137 42.059 0.068 0.000 0.970 1338 L HN 0.251 nan 8.230 nan 0.000 0.457 1339 C N 0.506 119.856 119.300 0.085 0.000 3.273 1339 C HA 0.221 4.679 4.460 -0.003 0.000 0.227 1339 C C 1.755 176.753 174.990 0.013 0.000 1.409 1339 C CA -0.799 58.253 59.018 0.056 0.000 1.516 1339 C CB -0.825 26.976 27.740 0.101 0.000 1.853 1339 C HN 0.324 nan 8.230 nan 0.000 0.472 1340 K N 0.289 120.694 120.400 0.008 0.000 2.209 1340 K HA -0.083 4.235 4.320 -0.003 0.000 0.204 1340 K C 1.486 178.076 176.600 -0.018 0.000 1.048 1340 K CA 1.262 57.549 56.287 -0.001 0.000 0.940 1340 K CB 0.214 32.716 32.500 0.002 0.000 0.729 1340 K HN 0.616 nan 8.250 nan 0.000 0.451 1341 E N 0.648 120.829 120.200 -0.032 0.000 2.478 1341 E HA -0.011 4.337 4.350 -0.003 0.000 0.194 1341 E C -0.224 176.334 176.600 -0.069 0.000 1.045 1341 E CA 0.240 56.612 56.400 -0.046 0.000 0.868 1341 E CB 0.304 29.976 29.700 -0.047 0.000 0.885 1341 E HN 0.188 nan 8.360 nan 0.000 0.505 1342 K N 1.218 121.563 120.400 -0.091 0.000 3.167 1342 K HA -0.153 4.165 4.320 -0.003 0.000 0.272 1342 K C -0.258 176.233 176.600 -0.182 0.000 1.137 1342 K CA 0.954 57.164 56.287 -0.127 0.000 0.800 1342 K CB -1.337 31.118 32.500 -0.075 0.000 1.253 1342 K HN 0.149 nan 8.250 nan 0.000 0.497 1343 D N -0.835 119.434 120.400 -0.219 0.000 2.479 1343 D HA 0.189 4.827 4.640 -0.003 0.000 0.218 1343 D C 0.995 177.116 176.300 -0.299 0.000 1.177 1343 D CA 0.421 54.299 54.000 -0.204 0.000 0.830 1343 D CB 0.387 41.111 40.800 -0.127 0.000 1.014 1343 D HN 0.359 nan 8.370 nan 0.000 0.503 1344 G N 0.407 108.850 108.800 -0.595 0.000 2.143 1344 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.248 1344 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.248 1344 G C -0.190 174.486 174.900 -0.373 0.000 0.991 1344 G CA -0.109 44.472 45.100 -0.866 0.000 0.689 1344 G HN 0.473 nan 8.290 nan 0.000 0.522 1345 N N -0.013 118.556 118.700 -0.218 0.000 2.342 1345 N HA 0.550 5.288 4.740 -0.003 0.000 0.293 1345 N C -0.466 175.079 175.510 0.058 0.000 1.026 1345 N CA -0.650 52.392 53.050 -0.013 0.000 0.857 1345 N CB 1.049 39.520 38.487 -0.026 0.000 1.256 1345 N HN -0.036 nan 8.380 nan 0.000 0.484 1346 I N 2.112 122.755 120.570 0.121 0.000 2.365 1346 I HA 0.254 4.422 4.170 -0.003 0.000 0.291 1346 I C 0.385 176.536 176.117 0.057 0.000 1.004 1346 I CA -0.131 61.239 61.300 0.116 0.000 1.311 1346 I CB 0.943 39.014 38.000 0.118 0.000 1.401 1346 I HN 0.309 nan 8.210 nan 0.000 0.491 1347 T N 5.812 120.392 114.554 0.043 0.000 2.890 1347 T HA 0.416 4.764 4.350 -0.003 0.000 0.295 1347 T C -0.291 174.419 174.700 0.017 0.000 0.993 1347 T CA -0.410 61.700 62.100 0.017 0.000 0.979 1347 T CB 1.725 70.598 68.868 0.009 0.000 0.967 1347 T HN 0.166 nan 8.240 nan 0.000 0.441 1348 V N 3.560 123.468 119.914 -0.010 0.000 2.432 1348 V HA 0.390 4.508 4.120 -0.003 0.000 0.275 1348 V C -0.051 176.037 176.094 -0.009 0.000 1.043 1348 V CA -0.522 61.777 62.300 -0.002 0.000 0.925 1348 V CB 1.286 33.064 31.823 -0.075 0.000 0.985 1348 V HN 0.809 nan 8.190 nan 0.000 0.466 1349 D N 3.628 124.084 120.400 0.093 0.000 2.454 1349 D HA 0.315 4.954 4.640 -0.003 0.000 0.247 1349 D C 0.472 176.935 176.300 0.273 0.000 1.129 1349 D CA -0.410 53.658 54.000 0.114 0.000 0.877 1349 D CB 0.710 41.555 40.800 0.075 0.000 1.082 1349 D HN 0.433 nan 8.370 nan 0.000 0.537 1350 F N 1.093 121.046 119.950 0.005 0.000 2.699 1350 F HA -0.062 4.463 4.527 -0.003 0.000 0.298 1350 F C 1.533 177.334 175.800 0.001 0.000 1.154 1350 F CA -0.102 57.900 58.000 0.004 0.000 1.457 1350 F CB 0.556 39.559 39.000 0.005 0.000 1.106 1350 F HN 0.308 nan 8.300 nan 0.000 0.585 1351 D N -0.039 120.460 120.400 0.164 0.000 2.178 1351 D HA -0.141 4.497 4.640 -0.003 0.000 0.202 1351 D C 0.693 177.023 176.300 0.050 0.000 0.974 1351 D CA 0.986 55.034 54.000 0.080 0.000 0.841 1351 D CB -0.360 40.476 40.800 0.059 0.000 0.953 1351 D HN 0.150 nan 8.370 nan 0.000 0.478 1352 D N 0.909 121.345 120.400 0.060 0.000 2.344 1352 D HA -0.025 4.613 4.640 -0.003 0.000 0.253 1352 D C 1.761 178.065 176.300 0.007 0.000 1.255 1352 D CA -0.198 53.822 54.000 0.034 0.000 0.894 1352 D CB 1.222 42.047 40.800 0.043 0.000 1.067 1352 D HN -0.111 nan 8.370 nan 0.000 0.492 1353 V N 2.683 122.588 119.914 -0.015 0.000 2.546 1353 V HA -0.236 3.882 4.120 -0.003 0.000 0.254 1353 V C 2.031 178.095 176.094 -0.050 0.000 1.076 1353 V CA 1.298 63.570 62.300 -0.046 0.000 1.087 1353 V CB -0.925 30.874 31.823 -0.040 0.000 0.674 1353 V HN 0.408 nan 8.190 nan 0.000 0.470 1354 V N 0.258 120.157 119.914 -0.025 0.000 2.261 1354 V HA -0.188 3.930 4.120 -0.003 0.000 0.246 1354 V C 2.586 178.667 176.094 -0.022 0.000 1.047 1354 V CA 2.260 64.547 62.300 -0.021 0.000 1.015 1354 V CB -0.638 31.180 31.823 -0.009 0.000 0.642 1354 V HN 0.427 nan 8.190 nan 0.000 0.446 1355 I N 0.178 120.750 120.570 0.003 0.000 2.226 1355 I HA -0.183 3.985 4.170 -0.003 0.000 0.245 1355 I C 2.578 178.687 176.117 -0.014 0.000 1.100 1355 I CA 1.564 62.889 61.300 0.043 0.000 1.374 1355 I CB -1.347 36.723 38.000 0.117 0.000 1.057 1355 I HN 0.302 nan 8.210 nan 0.000 0.413 1356 R N 1.461 121.871 120.500 -0.149 0.000 2.096 1356 R HA -0.105 4.233 4.340 -0.003 0.000 0.235 1356 R C 2.315 178.419 176.300 -0.327 0.000 1.127 1356 R CA 1.670 57.469 56.100 -0.502 0.000 0.968 1356 R CB -1.108 28.921 30.300 -0.453 0.000 0.861 1356 R HN 0.365 nan 8.270 nan 0.000 0.440 1357 G N -0.880 107.825 108.800 -0.158 0.000 2.402 1357 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.216 1357 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.216 1357 G C 1.409 176.293 174.900 -0.028 0.000 1.162 1357 G CA 0.760 45.810 45.100 -0.082 0.000 0.777 1357 G HN 0.288 nan 8.290 nan 0.000 0.539 1358 V N 0.987 120.883 119.914 -0.029 0.000 2.719 1358 V HA 0.081 4.199 4.120 -0.003 0.000 0.252 1358 V C 1.184 177.290 176.094 0.020 0.000 1.065 1358 V CA 1.393 63.685 62.300 -0.014 0.000 1.086 1358 V CB -0.258 31.546 31.823 -0.032 0.000 0.700 1358 V HN 0.239 nan 8.190 nan 0.000 0.467 1359 T N 1.108 115.692 114.554 0.049 0.000 2.738 1359 T HA 0.235 4.583 4.350 -0.003 0.000 0.294 1359 T C 0.904 175.690 174.700 0.143 0.000 0.914 1359 T CA 0.554 62.736 62.100 0.137 0.000 1.052 1359 T CB 1.241 70.319 68.868 0.349 0.000 0.897 1359 T HN 0.352 nan 8.240 nan 0.000 0.522 1360 V N 1.636 121.634 119.914 0.139 0.000 3.431 1360 V HA 0.506 4.624 4.120 -0.003 0.000 0.253 1360 V C 0.441 176.637 176.094 0.171 0.000 1.184 1360 V CA 0.345 62.754 62.300 0.182 0.000 1.104 1360 V CB -0.196 31.676 31.823 0.082 0.000 0.799 1360 V HN 0.685 nan 8.190 nan 0.000 0.462 1361 I N 0.833 121.484 120.570 0.136 0.000 2.647 1361 I HA 0.590 4.758 4.170 -0.003 0.000 0.295 1361 I C -0.520 175.676 176.117 0.132 0.000 1.078 1361 I CA -0.752 60.624 61.300 0.126 0.000 1.048 1361 I CB 2.497 40.545 38.000 0.080 0.000 1.239 1361 I HN 0.054 nan 8.210 nan 0.000 0.421 1362 R N 4.523 125.096 120.500 0.123 0.000 2.476 1362 R HA 0.623 4.961 4.340 -0.003 0.000 0.305 1362 R C 0.045 176.362 176.300 0.029 0.000 0.965 1362 R CA -0.307 55.833 56.100 0.067 0.000 0.867 1362 R CB 1.690 32.010 30.300 0.034 0.000 1.176 1362 R HN 0.881 nan 8.270 nan 0.000 0.447 1363 A N 3.213 126.042 122.820 0.015 0.000 2.409 1363 A HA -0.196 4.122 4.320 -0.003 0.000 0.290 1363 A C 1.143 178.741 177.584 0.022 0.000 1.440 1363 A CA 1.604 53.649 52.037 0.013 0.000 0.775 1363 A CB -1.951 17.047 19.000 -0.004 0.000 1.069 1363 A HN 1.639 nan 8.150 nan 0.000 0.389 1364 G N -1.955 106.865 108.800 0.034 0.000 2.194 1364 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.236 1364 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.236 1364 G C -0.202 174.724 174.900 0.044 0.000 0.987 1364 G CA 0.412 45.533 45.100 0.035 0.000 0.635 1364 G HN 0.974 nan 8.290 nan 0.000 0.520 1365 E N 0.539 120.770 120.200 0.053 0.000 2.134 1365 E HA 0.495 4.843 4.350 -0.003 0.000 0.278 1365 E C 0.616 177.275 176.600 0.097 0.000 0.959 1365 E CA -0.695 55.746 56.400 0.068 0.000 0.783 1365 E CB 1.266 31.004 29.700 0.064 0.000 1.095 1365 E HN 0.436 nan 8.360 nan 0.000 0.399 1366 I N 2.512 123.144 120.570 0.103 0.000 2.587 1366 I HA -0.091 4.077 4.170 -0.003 0.000 0.284 1366 I C 1.443 177.657 176.117 0.162 0.000 1.134 1366 I CA 0.632 62.015 61.300 0.138 0.000 1.410 1366 I CB 0.271 38.356 38.000 0.142 0.000 1.392 1366 I HN 0.473 nan 8.210 nan 0.000 0.545 1367 T N 1.206 115.879 114.554 0.199 0.000 3.129 1367 T HA 0.094 4.442 4.350 -0.003 0.000 0.267 1367 T C -0.432 174.369 174.700 0.168 0.000 1.018 1367 T CA -0.526 61.688 62.100 0.190 0.000 0.903 1367 T CB -0.173 68.865 68.868 0.283 0.000 1.067 1367 T HN 0.540 nan 8.240 nan 0.000 0.549 1368 W N 3.809 125.121 121.300 0.021 0.000 2.496 1368 W HA 0.600 5.258 4.660 -0.003 0.000 0.327 1368 W C -2.579 173.946 176.519 0.010 0.000 1.086 1368 W CA -2.164 55.181 57.345 0.002 0.000 1.222 1368 W CB 1.334 30.800 29.460 0.010 0.000 1.304 1368 W HN -0.061 nan 8.180 nan 0.000 0.547 1369 P HA 0.384 nan 4.420 nan 0.000 0.286 1369 P C -0.882 176.112 177.300 -0.510 0.000 1.261 1369 P CA -0.395 61.953 63.100 -1.254 0.000 0.821 1369 P CB 1.228 32.100 31.700 -1.380 0.000 1.013 1370 A N 4.299 126.889 122.820 -0.383 0.000 2.483 1370 A HA 0.373 4.691 4.320 -0.003 0.000 0.238 1370 A C -1.727 175.724 177.584 -0.220 0.000 1.070 1370 A CA -0.848 51.041 52.037 -0.247 0.000 0.770 1370 A CB -1.525 17.356 19.000 -0.199 0.000 1.008 1370 A HN 0.481 nan 8.150 nan 0.000 0.497 1371 P HA 0.102 nan 4.420 nan 0.000 0.266 1371 P C -2.380 174.850 177.300 -0.115 0.000 1.180 1371 P CA -0.488 62.535 63.100 -0.128 0.000 0.765 1371 P CB -0.735 30.906 31.700 -0.099 0.000 0.806 1372 P HA 0.105 nan 4.420 nan 0.000 0.265 1372 P C 0.013 177.277 177.300 -0.060 0.000 1.187 1372 P CA 0.553 63.607 63.100 -0.076 0.000 0.766 1372 P CB 0.482 32.146 31.700 -0.060 0.000 0.820 1373 I N 1.574 122.114 120.570 -0.050 0.000 3.206 1373 I HA 0.302 4.470 4.170 -0.003 0.000 0.313 1373 I C -0.856 175.246 176.117 -0.026 0.000 1.103 1373 I CA -1.271 60.006 61.300 -0.039 0.000 0.985 1373 I CB 2.605 40.580 38.000 -0.042 0.000 1.240 1373 I HN 0.252 nan 8.210 nan 0.000 0.464 1374 Q N 2.389 122.178 119.800 -0.020 0.000 2.339 1374 Q HA 0.483 4.822 4.340 -0.003 0.000 0.268 1374 Q C -0.932 175.063 176.000 -0.008 0.000 1.027 1374 Q CA -0.338 55.458 55.803 -0.013 0.000 0.759 1374 Q CB 2.143 30.874 28.738 -0.012 0.000 1.244 1374 Q HN 0.416 nan 8.270 nan 0.000 0.464 1375 V N 0.000 119.912 119.914 -0.003 0.000 2.409 1375 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 1375 V CA 0.000 62.301 62.300 0.002 0.000 1.235 1375 V CB 0.000 31.829 31.823 0.009 0.000 1.184 1375 V HN 0.000 nan 8.190 nan 0.000 0.556