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 1p0c_1_A DATA FIRST_RESID 1001 DATA SEQUENCE CTAGKDITCK AAVAWEPHKP LSLETITVAP PKAHEVRIKI LASGICGSDS DATA SEQUENCE SVLKEIIPSK FPVILGHEAV GVVESIGAGV TCVKPGDKVI PLFVPQCGSC DATA SEQUENCE RACKSSNSNF CEKNDMGAKT GLMADMTSRF TCRGKPIYNL MGTSTFTEYT DATA SEQUENCE VVADIAVAKI DPKAPLESCL IGCGFATGYG AAVNTAKVTP GSTCAVFGLG DATA SEQUENCE GVGFSAIVGC KAAGASRIIG VGTHKDKFPK AIELGATECL NPKDYDKPIY DATA SEQUENCE EVICEKTNGG VDYAVECAGR IETMMNALQS TYCGSGVTVV LGLASPNERL DATA SEQUENCE PLDPLLLLTG RSLKGSVFGG FKGEEVSRLV DDYMKKKINV NFLVSTKLTL DATA SEQUENCE DQINKAFELL SSGQGVRSIM IY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 C HA 0.000 nan 4.460 nan 0.000 0.325 1001 C C 0.000 174.982 174.990 -0.013 0.000 1.270 1001 C CA 0.000 59.017 59.018 -0.001 0.000 1.963 1001 C CB 0.000 27.745 27.740 0.009 0.000 2.134 1002 T N 0.131 114.674 114.554 -0.017 0.000 3.003 1002 T HA 0.573 4.924 4.350 0.001 0.000 0.261 1002 T C 0.624 175.302 174.700 -0.038 0.000 1.003 1002 T CA 0.947 63.022 62.100 -0.043 0.000 0.917 1002 T CB -0.071 68.748 68.868 -0.082 0.000 1.084 1002 T HN 1.233 nan 8.240 nan 0.000 0.522 1003 A N 1.072 123.881 122.820 -0.019 0.000 2.567 1003 A HA 0.488 4.809 4.320 0.001 0.000 0.240 1003 A C 1.770 179.341 177.584 -0.022 0.000 1.053 1003 A CA 0.487 52.515 52.037 -0.016 0.000 0.755 1003 A CB -1.196 17.799 19.000 -0.008 0.000 0.978 1003 A HN 1.594 nan 8.150 nan 0.000 0.507 1004 G N 1.729 110.514 108.800 -0.025 0.000 2.155 1004 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 1004 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 1004 G C 0.145 175.027 174.900 -0.030 0.000 0.983 1004 G CA 1.084 46.169 45.100 -0.026 0.000 0.676 1004 G HN 0.930 nan 8.290 nan 0.000 0.528 1005 K N 0.200 120.577 120.400 -0.038 0.000 2.328 1005 K HA 0.468 4.789 4.320 0.001 0.000 0.246 1005 K C -0.935 175.632 176.600 -0.054 0.000 0.955 1005 K CA -1.133 55.130 56.287 -0.041 0.000 0.817 1005 K CB 1.468 33.943 32.500 -0.042 0.000 1.208 1005 K HN 0.029 nan 8.250 nan 0.000 0.432 1006 D N 1.719 122.092 120.400 -0.046 0.000 2.382 1006 D HA 0.176 4.817 4.640 0.001 0.000 0.245 1006 D C -0.099 176.156 176.300 -0.074 0.000 1.120 1006 D CA 0.264 54.236 54.000 -0.047 0.000 0.890 1006 D CB 0.849 41.633 40.800 -0.026 0.000 1.201 1006 D HN 0.276 nan 8.370 nan 0.000 0.433 1007 I N 1.154 121.663 120.570 -0.102 0.000 2.412 1007 I HA 0.117 4.287 4.170 0.001 0.000 0.296 1007 I C 0.445 176.508 176.117 -0.090 0.000 0.987 1007 I CA -0.426 60.772 61.300 -0.169 0.000 1.180 1007 I CB 1.785 39.544 38.000 -0.401 0.000 1.340 1007 I HN 0.026 nan 8.210 nan 0.000 0.455 1008 T N 5.366 119.879 114.554 -0.067 0.000 2.799 1008 T HA 0.511 4.862 4.350 0.001 0.000 0.286 1008 T C -0.336 174.367 174.700 0.005 0.000 0.973 1008 T CA -0.376 61.715 62.100 -0.014 0.000 1.035 1008 T CB 0.703 69.567 68.868 -0.006 0.000 0.932 1008 T HN 0.837 nan 8.240 nan 0.000 0.469 1009 C N 2.395 121.720 119.300 0.040 0.000 3.293 1009 C HA 0.800 5.261 4.460 0.001 0.000 0.362 1009 C C -1.055 173.957 174.990 0.037 0.000 1.539 1009 C CA -1.279 57.784 59.018 0.074 0.000 1.201 1009 C CB 1.142 29.001 27.740 0.199 0.000 1.770 1009 C HN 0.865 nan 8.230 nan 0.000 0.440 1010 K N 0.837 121.243 120.400 0.010 0.000 2.110 1010 K HA 0.793 5.114 4.320 0.001 0.000 0.263 1010 K C -0.512 176.034 176.600 -0.091 0.000 0.975 1010 K CA 0.186 56.445 56.287 -0.047 0.000 0.895 1010 K CB 1.513 33.966 32.500 -0.079 0.000 1.060 1010 K HN 1.389 nan 8.250 nan 0.000 0.448 1011 A N 1.738 124.499 122.820 -0.097 0.000 2.604 1011 A HA 0.693 5.014 4.320 0.001 0.000 0.295 1011 A C -1.721 175.804 177.584 -0.099 0.000 1.067 1011 A CA -0.775 51.191 52.037 -0.118 0.000 0.683 1011 A CB 1.602 20.499 19.000 -0.172 0.000 1.281 1011 A HN 0.710 nan 8.150 nan 0.000 0.407 1012 A N 1.058 123.838 122.820 -0.067 0.000 2.253 1012 A HA 0.609 4.930 4.320 0.001 0.000 0.316 1012 A C -0.475 177.066 177.584 -0.072 0.000 1.327 1012 A CA -0.327 51.675 52.037 -0.059 0.000 0.917 1012 A CB -0.042 18.916 19.000 -0.070 0.000 1.162 1012 A HN 1.242 nan 8.150 nan 0.000 0.535 1013 V N 2.122 121.940 119.914 -0.160 0.000 2.472 1013 V HA 0.586 4.707 4.120 0.001 0.000 0.290 1013 V C 0.672 176.591 176.094 -0.291 0.000 1.037 1013 V CA -0.259 61.836 62.300 -0.341 0.000 0.908 1013 V CB 1.581 32.987 31.823 -0.695 0.000 0.985 1013 V HN 1.006 nan 8.190 nan 0.000 0.454 1014 A N 3.912 126.601 122.820 -0.217 0.000 2.444 1014 A HA 0.378 4.699 4.320 0.001 0.000 0.332 1014 A C 0.226 177.860 177.584 0.082 0.000 1.430 1014 A CA -0.444 51.597 52.037 0.007 0.000 0.975 1014 A CB -0.176 18.901 19.000 0.129 0.000 1.147 1014 A HN 0.996 nan 8.150 nan 0.000 0.524 1015 W N 1.474 122.877 121.300 0.172 0.000 2.467 1015 W HA 0.079 4.740 4.660 0.001 0.000 0.275 1015 W C 1.191 177.827 176.519 0.196 0.000 1.239 1015 W CA 1.208 58.655 57.345 0.170 0.000 1.266 1015 W CB 0.380 29.890 29.460 0.083 0.000 1.112 1015 W HN 0.787 nan 8.180 nan 0.000 0.576 1016 E N -1.847 118.536 120.200 0.306 0.000 2.416 1016 E HA 0.302 4.653 4.350 0.001 0.000 0.280 1016 E C -2.933 173.459 176.600 -0.347 0.000 1.055 1016 E CA -2.252 54.073 56.400 -0.125 0.000 0.825 1016 E CB 1.707 31.383 29.700 -0.040 0.000 1.312 1016 E HN -0.361 nan 8.360 nan 0.000 0.452 1017 P HA 0.062 nan 4.420 nan 0.000 0.273 1017 P C -0.604 176.531 177.300 -0.276 0.000 1.250 1017 P CA 0.081 62.800 63.100 -0.636 0.000 0.793 1017 P CB 0.084 31.269 31.700 -0.858 0.000 1.011 1018 H N -2.765 116.277 119.070 -0.047 0.000 2.921 1018 H HA -0.159 4.398 4.556 0.001 0.000 0.281 1018 H C -0.179 175.142 175.328 -0.012 0.000 1.165 1018 H CA 1.071 57.109 56.048 -0.016 0.000 1.151 1018 H CB -1.615 28.130 29.762 -0.029 0.000 1.311 1018 H HN 0.476 nan 8.280 nan 0.000 0.361 1019 K N 0.207 120.635 120.400 0.048 0.000 2.482 1019 K HA 0.428 4.749 4.320 0.001 0.000 0.257 1019 K C -2.488 174.108 176.600 -0.006 0.000 0.969 1019 K CA -1.772 54.538 56.287 0.038 0.000 0.842 1019 K CB 2.206 34.737 32.500 0.051 0.000 1.359 1019 K HN -0.163 nan 8.250 nan 0.000 0.441 1020 P HA 0.084 nan 4.420 nan 0.000 0.269 1020 P C -0.439 176.821 177.300 -0.067 0.000 1.215 1020 P CA -0.162 62.897 63.100 -0.070 0.000 0.780 1020 P CB 0.436 32.116 31.700 -0.033 0.000 0.898 1021 L N 1.120 122.247 121.223 -0.160 0.000 2.461 1021 L HA 0.132 4.473 4.340 0.001 0.000 0.272 1021 L C 0.478 177.330 176.870 -0.029 0.000 1.197 1021 L CA 0.243 55.014 54.840 -0.115 0.000 0.836 1021 L CB 0.189 42.119 42.059 -0.214 0.000 1.105 1021 L HN 0.380 nan 8.230 nan 0.000 0.477 1022 S N 3.640 119.365 115.700 0.041 0.000 2.442 1022 S HA 0.480 4.951 4.470 0.001 0.000 0.297 1022 S C -0.213 174.420 174.600 0.056 0.000 1.131 1022 S CA -0.693 57.572 58.200 0.107 0.000 1.092 1022 S CB 1.128 64.521 63.200 0.322 0.000 0.998 1022 S HN 0.341 nan 8.310 nan 0.000 0.478 1023 L N 4.119 125.362 121.223 0.034 0.000 2.315 1023 L HA 0.335 4.676 4.340 0.001 0.000 0.283 1023 L C 0.511 177.406 176.870 0.041 0.000 1.089 1023 L CA 0.048 54.891 54.840 0.005 0.000 0.833 1023 L CB 0.152 42.202 42.059 -0.015 0.000 1.170 1023 L HN 0.566 nan 8.230 nan 0.000 0.442 1024 E N 1.911 122.131 120.200 0.032 0.000 2.378 1024 E HA 0.460 4.810 4.350 0.001 0.000 0.265 1024 E C -0.817 175.800 176.600 0.027 0.000 0.932 1024 E CA -0.748 55.693 56.400 0.067 0.000 0.795 1024 E CB 2.101 31.879 29.700 0.130 0.000 1.296 1024 E HN 0.271 nan 8.360 nan 0.000 0.438 1025 T N 1.903 116.484 114.554 0.046 0.000 2.749 1025 T HA 0.526 4.877 4.350 0.001 0.000 0.287 1025 T C 0.346 175.070 174.700 0.041 0.000 0.970 1025 T CA -0.428 61.691 62.100 0.031 0.000 0.980 1025 T CB -0.082 68.806 68.868 0.033 0.000 0.924 1025 T HN 0.363 nan 8.240 nan 0.000 0.456 1026 I N 0.114 120.700 120.570 0.026 0.000 3.264 1026 I HA 0.817 4.988 4.170 0.001 0.000 0.309 1026 I C -0.598 175.551 176.117 0.052 0.000 1.099 1026 I CA -0.901 60.419 61.300 0.034 0.000 0.989 1026 I CB 2.411 40.400 38.000 -0.019 0.000 1.250 1026 I HN 0.279 nan 8.210 nan 0.000 0.478 1027 T N 2.222 116.822 114.554 0.075 0.000 2.824 1027 T HA 0.564 4.915 4.350 0.001 0.000 0.282 1027 T C -0.668 174.108 174.700 0.127 0.000 0.993 1027 T CA -0.397 61.746 62.100 0.071 0.000 0.967 1027 T CB 1.760 70.657 68.868 0.049 0.000 0.960 1027 T HN 0.414 nan 8.240 nan 0.000 0.441 1028 V N 2.875 122.855 119.914 0.109 0.000 2.357 1028 V HA 0.684 4.805 4.120 0.001 0.000 0.284 1028 V C 0.553 176.663 176.094 0.028 0.000 1.018 1028 V CA -1.078 61.308 62.300 0.145 0.000 0.841 1028 V CB 1.136 33.089 31.823 0.216 0.000 0.991 1028 V HN 1.109 nan 8.190 nan 0.000 0.437 1029 A N 7.527 130.342 122.820 -0.008 0.000 2.366 1029 A HA 0.673 4.994 4.320 0.001 0.000 0.249 1029 A C -2.378 175.178 177.584 -0.046 0.000 1.084 1029 A CA -1.101 50.914 52.037 -0.036 0.000 0.794 1029 A CB -0.090 18.879 19.000 -0.051 0.000 1.034 1029 A HN 0.658 nan 8.150 nan 0.000 0.491 1030 P HA 0.207 nan 4.420 nan 0.000 0.272 1030 P C -2.474 174.800 177.300 -0.043 0.000 1.230 1030 P CA -0.890 62.187 63.100 -0.039 0.000 0.788 1030 P CB -0.025 31.654 31.700 -0.036 0.000 0.949 1031 P HA 0.131 nan 4.420 nan 0.000 0.276 1031 P C -0.448 176.826 177.300 -0.043 0.000 1.230 1031 P CA 0.210 63.286 63.100 -0.040 0.000 0.776 1031 P CB 0.998 32.683 31.700 -0.025 0.000 0.888 1032 K N 1.390 121.763 120.400 -0.045 0.000 2.520 1032 K HA 0.539 4.860 4.320 0.001 0.000 0.256 1032 K C 0.377 176.948 176.600 -0.049 0.000 1.033 1032 K CA -0.853 55.408 56.287 -0.043 0.000 1.007 1032 K CB 0.402 32.880 32.500 -0.035 0.000 1.330 1032 K HN 0.494 nan 8.250 nan 0.000 0.507 1033 A N 1.574 124.360 122.820 -0.056 0.000 2.584 1033 A HA -0.086 4.235 4.320 0.001 0.000 0.239 1033 A C -0.117 177.440 177.584 -0.047 0.000 1.043 1033 A CA 0.498 52.468 52.037 -0.113 0.000 0.756 1033 A CB -0.591 18.373 19.000 -0.060 0.000 0.963 1033 A HN 0.878 nan 8.150 nan 0.000 0.511 1034 H N 0.016 119.074 119.070 -0.020 0.000 2.820 1034 H HA -0.131 4.426 4.556 0.001 0.000 0.295 1034 H C 0.021 175.335 175.328 -0.024 0.000 1.187 1034 H CA 1.649 57.685 56.048 -0.020 0.000 1.144 1034 H CB -1.455 28.294 29.762 -0.021 0.000 1.354 1034 H HN 0.898 nan 8.280 nan 0.000 0.395 1035 E N -0.326 119.890 120.200 0.026 0.000 2.336 1035 E HA 0.698 5.049 4.350 0.001 0.000 0.267 1035 E C -0.279 176.321 176.600 0.000 0.000 0.906 1035 E CA -1.080 55.326 56.400 0.009 0.000 0.781 1035 E CB 3.017 32.707 29.700 -0.016 0.000 1.261 1035 E HN -0.031 nan 8.360 nan 0.000 0.436 1036 V N 1.432 121.348 119.914 0.004 0.000 2.686 1036 V HA 0.397 4.518 4.120 0.001 0.000 0.306 1036 V C -0.539 175.570 176.094 0.025 0.000 1.065 1036 V CA -0.834 61.474 62.300 0.014 0.000 0.894 1036 V CB 1.918 33.753 31.823 0.020 0.000 1.004 1036 V HN 0.548 nan 8.190 nan 0.000 0.424 1037 R N 3.951 124.476 120.500 0.042 0.000 2.265 1037 R HA 0.751 5.092 4.340 0.001 0.000 0.319 1037 R C -1.238 175.136 176.300 0.123 0.000 1.006 1037 R CA -0.372 55.778 56.100 0.084 0.000 0.880 1037 R CB 0.923 31.274 30.300 0.085 0.000 1.077 1037 R HN 0.726 nan 8.270 nan 0.000 0.454 1038 I N 3.581 124.237 120.570 0.143 0.000 2.474 1038 I HA 0.279 4.450 4.170 0.001 0.000 0.294 1038 I C -0.258 175.898 176.117 0.066 0.000 1.005 1038 I CA -0.841 60.522 61.300 0.105 0.000 1.113 1038 I CB 2.040 40.077 38.000 0.061 0.000 1.289 1038 I HN 0.459 nan 8.210 nan 0.000 0.436 1039 K N 6.950 127.322 120.400 -0.046 0.000 2.263 1039 K HA 0.345 4.666 4.320 0.001 0.000 0.282 1039 K C -0.490 175.985 176.600 -0.209 0.000 1.089 1039 K CA -0.609 55.449 56.287 -0.382 0.000 0.907 1039 K CB 0.539 32.870 32.500 -0.283 0.000 1.148 1039 K HN 0.457 nan 8.250 nan 0.000 0.470 1040 I N 6.502 126.973 120.570 -0.165 0.000 2.598 1040 I HA -0.083 4.088 4.170 0.001 0.000 0.284 1040 I C 1.270 177.302 176.117 -0.140 0.000 1.140 1040 I CA 0.403 61.646 61.300 -0.095 0.000 1.420 1040 I CB 0.640 38.642 38.000 0.004 0.000 1.387 1040 I HN 0.807 nan 8.210 nan 0.000 0.553 1041 L N 5.310 126.422 121.223 -0.185 0.000 2.316 1041 L HA 0.286 4.627 4.340 0.001 0.000 0.207 1041 L C 0.781 177.478 176.870 -0.288 0.000 1.070 1041 L CA 0.421 55.164 54.840 -0.160 0.000 0.820 1041 L CB 0.058 42.059 42.059 -0.096 0.000 0.992 1041 L HN 0.755 nan 8.230 nan 0.000 0.466 1042 A N -1.140 121.456 122.820 -0.373 0.000 2.574 1042 A HA 0.665 4.986 4.320 0.001 0.000 0.297 1042 A C -1.113 176.240 177.584 -0.385 0.000 1.062 1042 A CA -0.318 51.473 52.037 -0.410 0.000 0.686 1042 A CB 1.893 20.775 19.000 -0.196 0.000 1.285 1042 A HN -0.124 nan 8.150 nan 0.000 0.403 1043 S N 0.009 115.504 115.700 -0.342 0.000 2.540 1043 S HA 0.766 5.236 4.470 0.001 0.000 0.275 1043 S C 0.017 174.603 174.600 -0.022 0.000 1.123 1043 S CA 0.208 58.331 58.200 -0.129 0.000 0.907 1043 S CB 1.465 64.662 63.200 -0.005 0.000 1.081 1043 S HN 1.937 nan 8.310 nan 0.000 0.476 1044 G N 1.941 110.746 108.800 0.007 0.000 2.491 1044 G HA2 0.671 4.632 3.960 0.001 0.000 0.327 1044 G HA3 0.671 4.632 3.960 0.001 0.000 0.327 1044 G C -1.297 173.639 174.900 0.060 0.000 1.189 1044 G CA -0.615 44.483 45.100 -0.003 0.000 0.956 1044 G HN 0.609 nan 8.290 nan 0.000 0.491 1045 I N 0.225 120.784 120.570 -0.018 0.000 2.362 1045 I HA 0.327 4.498 4.170 0.001 0.000 0.289 1045 I C 0.228 176.268 176.117 -0.128 0.000 0.994 1045 I CA -0.511 60.758 61.300 -0.052 0.000 1.158 1045 I CB 1.389 39.216 38.000 -0.288 0.000 1.315 1045 I HN 0.478 nan 8.210 nan 0.000 0.451 1046 C N 4.227 123.460 119.300 -0.111 0.000 2.399 1046 C HA 0.675 5.136 4.460 0.001 0.000 0.348 1046 C C 1.963 176.916 174.990 -0.062 0.000 1.183 1046 C CA -0.065 58.891 59.018 -0.103 0.000 2.023 1046 C CB 0.968 28.610 27.740 -0.163 0.000 2.361 1046 C HN 0.996 nan 8.230 nan 0.000 0.521 1047 G N 2.065 110.850 108.800 -0.024 0.000 2.450 1047 G HA2 -0.145 3.816 3.960 0.001 0.000 0.220 1047 G HA3 -0.145 3.816 3.960 0.001 0.000 0.220 1047 G C 1.602 176.535 174.900 0.054 0.000 1.130 1047 G CA 1.312 46.416 45.100 0.007 0.000 0.760 1047 G HN 0.777 nan 8.290 nan 0.000 0.557 1048 S N 0.698 116.446 115.700 0.080 0.000 2.368 1048 S HA -0.105 4.365 4.470 0.001 0.000 0.225 1048 S C 2.012 176.684 174.600 0.121 0.000 1.030 1048 S CA 1.299 59.552 58.200 0.088 0.000 0.999 1048 S CB -0.242 63.012 63.200 0.090 0.000 0.844 1048 S HN 0.408 nan 8.310 nan 0.000 0.459 1049 D N 0.844 121.366 120.400 0.202 0.000 2.117 1049 D HA -0.077 4.564 4.640 0.001 0.000 0.197 1049 D C 2.132 178.644 176.300 0.353 0.000 0.987 1049 D CA 1.039 55.200 54.000 0.270 0.000 0.829 1049 D CB -0.410 40.606 40.800 0.360 0.000 0.961 1049 D HN 0.357 nan 8.370 nan 0.000 0.460 1050 S N 0.050 115.914 115.700 0.274 0.000 2.368 1050 S HA -0.121 4.350 4.470 0.001 0.000 0.225 1050 S C 2.146 176.879 174.600 0.221 0.000 1.030 1050 S CA 1.339 59.739 58.200 0.333 0.000 0.999 1050 S CB -0.053 63.256 63.200 0.182 0.000 0.844 1050 S HN 0.054 nan 8.310 nan 0.000 0.459 1051 S N 0.645 116.433 115.700 0.145 0.000 2.382 1051 S HA -0.065 4.406 4.470 0.001 0.000 0.228 1051 S C 1.843 176.501 174.600 0.097 0.000 1.027 1051 S CA 1.319 59.582 58.200 0.104 0.000 0.991 1051 S CB -0.424 62.819 63.200 0.071 0.000 0.823 1051 S HN 0.428 nan 8.310 nan 0.000 0.469 1052 V N 1.907 121.881 119.914 0.100 0.000 2.358 1052 V HA -0.123 3.997 4.120 0.001 0.000 0.246 1052 V C 2.183 178.380 176.094 0.172 0.000 1.047 1052 V CA 1.372 63.727 62.300 0.091 0.000 1.035 1052 V CB -0.609 31.223 31.823 0.015 0.000 0.658 1052 V HN 0.424 nan 8.190 nan 0.000 0.452 1053 L N -0.338 120.992 121.223 0.179 0.000 2.042 1053 L HA -0.190 4.151 4.340 0.001 0.000 0.210 1053 L C 2.254 179.075 176.870 -0.082 0.000 1.076 1053 L CA 1.654 56.574 54.840 0.132 0.000 0.749 1053 L CB -0.410 41.722 42.059 0.123 0.000 0.893 1053 L HN 0.302 nan 8.230 nan 0.000 0.432 1054 K N 0.035 120.431 120.400 -0.007 0.000 2.522 1054 K HA 0.004 4.324 4.320 0.001 0.000 0.194 1054 K C -0.012 176.588 176.600 0.000 0.000 1.026 1054 K CA 0.045 56.318 56.287 -0.023 0.000 1.119 1054 K CB 0.193 32.768 32.500 0.124 0.000 0.856 1054 K HN 0.257 nan 8.250 nan 0.000 0.513 1055 E N -0.585 119.598 120.200 -0.027 0.000 2.971 1055 E HA -0.263 4.088 4.350 0.001 0.000 0.278 1055 E C 0.722 177.368 176.600 0.078 0.000 1.009 1055 E CA 0.485 56.914 56.400 0.047 0.000 0.862 1055 E CB -1.834 27.899 29.700 0.055 0.000 1.436 1055 E HN 0.435 nan 8.360 nan 0.000 0.434 1056 I N 0.212 120.828 120.570 0.076 0.000 2.353 1056 I HA -0.063 4.108 4.170 0.001 0.000 0.248 1056 I C 1.328 177.476 176.117 0.052 0.000 1.119 1056 I CA 1.001 62.342 61.300 0.068 0.000 1.417 1056 I CB 0.133 38.175 38.000 0.069 0.000 1.078 1056 I HN 0.073 nan 8.210 nan 0.000 0.421 1057 I N 1.583 122.182 120.570 0.048 0.000 2.362 1057 I HA 0.273 4.444 4.170 0.001 0.000 0.289 1057 I C -2.305 173.831 176.117 0.033 0.000 0.994 1057 I CA -2.070 59.246 61.300 0.026 0.000 1.158 1057 I CB 1.405 39.405 38.000 0.000 0.000 1.315 1057 I HN -0.263 nan 8.210 nan 0.000 0.451 1058 P HA 0.094 nan 4.420 nan 0.000 0.267 1058 P C -0.640 176.657 177.300 -0.004 0.000 1.200 1058 P CA 0.077 63.197 63.100 0.032 0.000 0.772 1058 P CB 0.738 32.450 31.700 0.020 0.000 0.855 1059 S N 0.740 116.445 115.700 0.008 0.000 2.614 1059 S HA 0.275 4.746 4.470 0.001 0.000 0.280 1059 S C -1.451 173.077 174.600 -0.119 0.000 1.111 1059 S CA -0.952 57.177 58.200 -0.119 0.000 0.847 1059 S CB 0.626 63.671 63.200 -0.259 0.000 1.079 1059 S HN 0.228 nan 8.310 nan 0.000 0.452 1060 K N 1.253 121.473 120.400 -0.300 0.000 2.126 1060 K HA 0.620 4.941 4.320 0.001 0.000 0.257 1060 K C -1.221 175.169 176.600 -0.350 0.000 1.007 1060 K CA -0.189 55.887 56.287 -0.351 0.000 0.928 1060 K CB 0.498 32.431 32.500 -0.945 0.000 1.013 1060 K HN 0.420 nan 8.250 nan 0.000 0.473 1061 F N 1.108 121.000 119.950 -0.096 0.000 2.588 1061 F HA 0.323 4.851 4.527 0.001 0.000 0.314 1061 F C -1.950 173.995 175.800 0.242 0.000 1.069 1061 F CA -2.239 55.807 58.000 0.076 0.000 0.931 1061 F CB 1.458 40.495 39.000 0.062 0.000 1.260 1061 F HN 0.396 nan 8.300 nan 0.000 0.465 1062 P HA 0.308 nan 4.420 nan 0.000 0.275 1062 P C -1.201 176.139 177.300 0.066 0.000 1.228 1062 P CA -0.139 63.092 63.100 0.218 0.000 0.786 1062 P CB 2.185 33.887 31.700 0.003 0.000 0.927 1063 V N 3.451 123.273 119.914 -0.154 0.000 3.049 1063 V HA 0.465 4.586 4.120 0.001 0.000 0.309 1063 V C -0.926 175.031 176.094 -0.227 0.000 1.148 1063 V CA -1.144 61.042 62.300 -0.190 0.000 0.990 1063 V CB 2.248 33.847 31.823 -0.374 0.000 1.039 1063 V HN 0.362 nan 8.190 nan 0.000 0.430 1064 I N 6.333 126.786 120.570 -0.195 0.000 2.312 1064 I HA 0.377 4.547 4.170 0.001 0.000 0.290 1064 I C 0.032 176.044 176.117 -0.175 0.000 1.008 1064 I CA -0.265 60.907 61.300 -0.213 0.000 1.226 1064 I CB 1.360 39.118 38.000 -0.404 0.000 1.371 1064 I HN 0.483 nan 8.210 nan 0.000 0.468 1065 L N 5.029 126.151 121.223 -0.168 0.000 2.657 1065 L HA 0.786 5.126 4.340 0.001 0.000 0.240 1065 L C 0.584 176.799 176.870 -1.092 0.000 1.151 1065 L CA -0.668 53.936 54.840 -0.393 0.000 0.831 1065 L CB 0.609 42.586 42.059 -0.137 0.000 1.539 1065 L HN 0.776 nan 8.230 nan 0.000 0.511 1066 G N 0.255 108.345 108.800 -1.183 0.000 3.055 1066 G HA2 -0.049 3.911 3.960 0.001 0.000 0.686 1066 G HA3 -0.049 3.911 3.960 0.001 0.000 0.686 1066 G C -0.587 174.161 174.900 -0.253 0.000 1.087 1066 G CA -0.178 44.215 45.100 -1.178 0.000 0.779 1066 G HN 1.088 nan 8.290 nan 0.000 0.599 1067 H N 0.239 119.154 119.070 -0.258 0.000 3.043 1067 H HA 0.447 5.004 4.556 0.001 0.000 0.244 1067 H C -0.215 175.113 175.328 0.001 0.000 1.199 1067 H CA 0.163 56.143 56.048 -0.114 0.000 0.956 1067 H CB 0.463 30.116 29.762 -0.181 0.000 2.305 1067 H HN 0.602 nan 8.280 nan 0.000 0.665 1068 E N 1.255 121.358 120.200 -0.162 0.000 2.325 1068 E HA 0.661 5.012 4.350 0.001 0.000 0.248 1068 E C -1.336 175.246 176.600 -0.030 0.000 0.912 1068 E CA -0.555 55.796 56.400 -0.081 0.000 0.782 1068 E CB 1.384 30.988 29.700 -0.159 0.000 1.264 1068 E HN 0.552 nan 8.360 nan 0.000 0.417 1069 A N 2.410 125.227 122.820 -0.005 0.000 2.564 1069 A HA 0.693 5.014 4.320 0.001 0.000 0.291 1069 A C -1.817 175.748 177.584 -0.032 0.000 1.102 1069 A CA -0.581 51.432 52.037 -0.039 0.000 0.660 1069 A CB 1.865 20.837 19.000 -0.047 0.000 1.283 1069 A HN 0.376 nan 8.150 nan 0.000 0.430 1070 V N -0.194 119.679 119.914 -0.067 0.000 2.841 1070 V HA 0.918 5.038 4.120 0.001 0.000 0.310 1070 V C 0.064 176.116 176.094 -0.070 0.000 1.090 1070 V CA 0.759 63.029 62.300 -0.051 0.000 0.930 1070 V CB 1.774 33.569 31.823 -0.047 0.000 1.014 1070 V HN 2.221 nan 8.190 nan 0.000 0.425 1071 G N 3.104 111.877 108.800 -0.044 0.000 2.682 1071 G HA2 0.651 4.612 3.960 0.001 0.000 0.303 1071 G HA3 0.651 4.612 3.960 0.001 0.000 0.303 1071 G C -1.722 173.163 174.900 -0.025 0.000 1.341 1071 G CA 0.015 45.086 45.100 -0.049 0.000 0.784 1071 G HN 1.396 nan 8.290 nan 0.000 0.497 1072 V N -0.003 119.899 119.914 -0.021 0.000 2.656 1072 V HA 0.636 4.757 4.120 0.001 0.000 0.307 1072 V C -0.257 175.850 176.094 0.022 0.000 1.051 1072 V CA -0.713 61.588 62.300 0.001 0.000 0.893 1072 V CB 1.688 33.513 31.823 0.003 0.000 0.999 1072 V HN 0.716 nan 8.190 nan 0.000 0.426 1073 V N 6.462 126.394 119.914 0.029 0.000 2.540 1073 V HA 0.140 4.261 4.120 0.001 0.000 0.297 1073 V C 1.359 177.492 176.094 0.064 0.000 1.024 1073 V CA 0.661 62.988 62.300 0.045 0.000 1.105 1073 V CB 1.028 32.870 31.823 0.032 0.000 0.938 1073 V HN 1.064 nan 8.190 nan 0.000 0.482 1074 E N 3.454 123.713 120.200 0.098 0.000 2.166 1074 E HA 0.027 4.378 4.350 0.001 0.000 0.192 1074 E C 0.643 177.287 176.600 0.073 0.000 0.967 1074 E CA 1.039 57.511 56.400 0.120 0.000 0.840 1074 E CB 0.832 30.671 29.700 0.232 0.000 0.795 1074 E HN 0.843 nan 8.360 nan 0.000 0.470 1075 S N -0.178 115.557 115.700 0.058 0.000 2.587 1075 S HA 0.563 5.034 4.470 0.001 0.000 0.269 1075 S C -0.466 174.145 174.600 0.019 0.000 1.154 1075 S CA -0.883 57.334 58.200 0.029 0.000 0.824 1075 S CB 1.000 64.210 63.200 0.017 0.000 1.118 1075 S HN 0.256 nan 8.310 nan 0.000 0.462 1076 I N -0.940 119.631 120.570 0.002 0.000 2.785 1076 I HA 0.938 5.108 4.170 0.001 0.000 0.302 1076 I C 0.315 176.414 176.117 -0.029 0.000 1.069 1076 I CA -1.087 60.207 61.300 -0.009 0.000 1.045 1076 I CB 1.652 39.647 38.000 -0.010 0.000 1.236 1076 I HN 0.872 nan 8.210 nan 0.000 0.429 1077 G N 2.263 111.037 108.800 -0.044 0.000 2.547 1077 G HA2 0.594 4.555 3.960 0.001 0.000 0.291 1077 G HA3 0.594 4.555 3.960 0.001 0.000 0.291 1077 G C -0.169 174.662 174.900 -0.115 0.000 1.211 1077 G CA -0.549 44.509 45.100 -0.071 0.000 0.950 1077 G HN 1.063 nan 8.290 nan 0.000 0.504 1078 A N -1.167 121.571 122.820 -0.136 0.000 2.540 1078 A HA 0.493 4.814 4.320 0.001 0.000 0.239 1078 A C 1.637 179.025 177.584 -0.326 0.000 1.061 1078 A CA 1.325 53.260 52.037 -0.171 0.000 0.758 1078 A CB -0.472 18.446 19.000 -0.136 0.000 0.991 1078 A HN 2.587 nan 8.150 nan 0.000 0.502 1079 G N 0.966 109.616 108.800 -0.251 0.000 2.179 1079 G HA2 -0.180 3.781 3.960 0.001 0.000 0.260 1079 G HA3 -0.180 3.781 3.960 0.001 0.000 0.260 1079 G C 0.244 175.039 174.900 -0.175 0.000 0.977 1079 G CA 0.133 45.057 45.100 -0.294 0.000 0.641 1079 G HN 1.447 nan 8.290 nan 0.000 0.533 1080 V N 1.944 121.780 119.914 -0.131 0.000 2.470 1080 V HA 0.492 4.612 4.120 0.001 0.000 0.276 1080 V C 1.566 177.665 176.094 0.007 0.000 1.040 1080 V CA 1.262 63.555 62.300 -0.012 0.000 1.008 1080 V CB 1.173 32.986 31.823 -0.017 0.000 0.990 1080 V HN 0.741 nan 8.190 nan 0.000 0.477 1081 T N -0.773 113.802 114.554 0.035 0.000 2.955 1081 T HA -0.062 4.289 4.350 0.001 0.000 0.251 1081 T C 1.679 176.392 174.700 0.022 0.000 1.002 1081 T CA 0.709 62.824 62.100 0.024 0.000 0.970 1081 T CB -0.267 68.618 68.868 0.028 0.000 1.091 1081 T HN 0.777 nan 8.240 nan 0.000 0.495 1082 C N 2.459 121.775 119.300 0.027 0.000 2.432 1082 C HA 0.522 4.983 4.460 0.001 0.000 0.280 1082 C C 0.962 175.962 174.990 0.016 0.000 1.353 1082 C CA -0.128 58.902 59.018 0.020 0.000 1.766 1082 C CB -1.586 26.167 27.740 0.022 0.000 1.924 1082 C HN 0.606 nan 8.230 nan 0.000 0.509 1083 V N -1.636 118.287 119.914 0.015 0.000 3.159 1083 V HA 0.779 4.900 4.120 0.001 0.000 0.308 1083 V C -1.046 175.054 176.094 0.010 0.000 1.190 1083 V CA -0.869 61.439 62.300 0.012 0.000 1.037 1083 V CB 1.892 33.724 31.823 0.014 0.000 1.060 1083 V HN 0.610 nan 8.190 nan 0.000 0.437 1084 K N 0.416 120.822 120.400 0.010 0.000 2.480 1084 K HA 0.774 5.095 4.320 0.001 0.000 0.258 1084 K C -3.278 173.330 176.600 0.013 0.000 0.990 1084 K CA -2.128 54.164 56.287 0.009 0.000 0.857 1084 K CB 1.882 34.386 32.500 0.006 0.000 1.384 1084 K HN 0.420 nan 8.250 nan 0.000 0.446 1085 P HA -0.028 nan 4.420 nan 0.000 0.264 1085 P C 0.538 177.849 177.300 0.020 0.000 1.183 1085 P CA 1.588 64.701 63.100 0.022 0.000 0.763 1085 P CB 0.511 32.224 31.700 0.021 0.000 0.807 1086 G N 2.021 110.835 108.800 0.023 0.000 2.254 1086 G HA2 -0.183 3.778 3.960 0.001 0.000 0.225 1086 G HA3 -0.183 3.778 3.960 0.001 0.000 0.225 1086 G C -0.041 174.866 174.900 0.011 0.000 1.003 1086 G CA -0.353 44.757 45.100 0.017 0.000 0.622 1086 G HN 0.504 nan 8.290 nan 0.000 0.507 1087 D N 1.248 121.654 120.400 0.011 0.000 2.414 1087 D HA 0.404 5.045 4.640 0.001 0.000 0.242 1087 D C 0.591 176.894 176.300 0.005 0.000 1.129 1087 D CA 0.311 54.315 54.000 0.006 0.000 0.885 1087 D CB 1.196 42.001 40.800 0.008 0.000 1.198 1087 D HN 0.519 nan 8.370 nan 0.000 0.437 1088 K N 1.311 121.711 120.400 -0.001 0.000 2.205 1088 K HA 0.441 4.762 4.320 0.001 0.000 0.279 1088 K C -0.562 176.037 176.600 -0.002 0.000 1.027 1088 K CA -0.587 55.697 56.287 -0.005 0.000 0.932 1088 K CB 0.682 33.175 32.500 -0.011 0.000 1.032 1088 K HN 0.301 nan 8.250 nan 0.000 0.466 1089 V N 0.897 120.810 119.914 -0.002 0.000 3.182 1089 V HA 0.628 4.749 4.120 0.001 0.000 0.308 1089 V C -0.903 175.193 176.094 0.004 0.000 1.240 1089 V CA -1.113 61.190 62.300 0.004 0.000 1.063 1089 V CB 1.657 33.485 31.823 0.009 0.000 1.076 1089 V HN 0.736 nan 8.190 nan 0.000 0.446 1090 I N 1.701 122.279 120.570 0.013 0.000 2.478 1090 I HA 0.523 4.694 4.170 0.001 0.000 0.287 1090 I C -2.719 173.412 176.117 0.023 0.000 1.042 1090 I CA -2.015 59.299 61.300 0.022 0.000 1.067 1090 I CB 2.825 40.849 38.000 0.040 0.000 1.233 1090 I HN 0.509 nan 8.210 nan 0.000 0.431 1091 P HA 0.237 nan 4.420 nan 0.000 0.271 1091 P C -1.083 176.219 177.300 0.003 0.000 1.218 1091 P CA -0.130 62.984 63.100 0.024 0.000 0.780 1091 P CB 0.574 32.303 31.700 0.048 0.000 0.901 1092 L N 3.495 124.685 121.223 -0.054 0.000 2.319 1092 L HA 0.376 4.717 4.340 0.001 0.000 0.281 1092 L C 1.135 177.900 176.870 -0.175 0.000 1.005 1092 L CA -0.604 54.111 54.840 -0.209 0.000 0.828 1092 L CB 0.836 42.744 42.059 -0.252 0.000 1.227 1092 L HN 0.448 nan 8.230 nan 0.000 0.415 1093 F N 2.265 122.087 119.950 -0.214 0.000 2.661 1093 F HA 0.187 4.715 4.527 0.001 0.000 0.298 1093 F C 0.383 176.091 175.800 -0.153 0.000 1.137 1093 F CA -0.183 57.734 58.000 -0.138 0.000 1.454 1093 F CB -0.081 38.873 39.000 -0.076 0.000 1.103 1093 F HN 0.057 nan 8.300 nan 0.000 0.577 1094 V N 4.485 123.940 119.914 -0.766 0.000 2.304 1094 V HA 0.330 4.450 4.120 0.001 0.000 0.278 1094 V C -1.886 173.990 176.094 -0.363 0.000 1.018 1094 V CA -2.015 59.975 62.300 -0.517 0.000 0.814 1094 V CB 0.942 32.394 31.823 -0.618 0.000 1.021 1094 V HN -0.009 nan 8.190 nan 0.000 0.440 1095 P HA 0.208 nan 4.420 nan 0.000 0.277 1095 P C -0.940 176.287 177.300 -0.122 0.000 1.276 1095 P CA -0.489 62.518 63.100 -0.155 0.000 0.788 1095 P CB 1.197 32.826 31.700 -0.118 0.000 1.114 1096 Q N -0.364 119.386 119.800 -0.084 0.000 2.786 1096 Q HA 0.265 4.605 4.340 0.001 0.000 0.240 1096 Q C 0.630 176.600 176.000 -0.050 0.000 0.928 1096 Q CA -0.527 55.244 55.803 -0.054 0.000 0.721 1096 Q CB 0.030 28.753 28.738 -0.025 0.000 1.318 1096 Q HN 0.590 nan 8.270 nan 0.000 0.474 1097 C N 1.005 120.268 119.300 -0.061 0.000 2.468 1097 C HA 0.420 4.881 4.460 0.001 0.000 0.277 1097 C C 1.706 176.668 174.990 -0.048 0.000 1.400 1097 C CA 0.864 59.846 59.018 -0.061 0.000 1.770 1097 C CB -0.984 26.712 27.740 -0.073 0.000 1.905 1097 C HN 1.085 nan 8.230 nan 0.000 0.519 1098 G N 0.402 109.180 108.800 -0.036 0.000 2.212 1098 G HA2 -0.298 3.663 3.960 0.001 0.000 0.266 1098 G HA3 -0.298 3.663 3.960 0.001 0.000 0.266 1098 G C 1.042 175.928 174.900 -0.025 0.000 0.978 1098 G CA 0.832 45.917 45.100 -0.024 0.000 0.632 1098 G HN 0.707 nan 8.290 nan 0.000 0.537 1099 S N -0.863 114.817 115.700 -0.034 0.000 2.524 1099 S HA 0.204 4.675 4.470 0.001 0.000 0.222 1099 S C 1.696 176.279 174.600 -0.029 0.000 1.040 1099 S CA 0.558 58.740 58.200 -0.031 0.000 0.915 1099 S CB 0.134 63.311 63.200 -0.038 0.000 0.831 1099 S HN 1.423 nan 8.310 nan 0.000 0.492 1100 C N 2.169 121.448 119.300 -0.035 0.000 2.553 1100 C HA 0.530 4.991 4.460 0.001 0.000 0.345 1100 C C 2.095 177.074 174.990 -0.019 0.000 1.369 1100 C CA -0.671 58.327 59.018 -0.033 0.000 2.447 1100 C CB 0.228 27.938 27.740 -0.050 0.000 2.358 1100 C HN 0.595 nan 8.230 nan 0.000 0.676 1101 R N 0.963 121.456 120.500 -0.013 0.000 2.094 1101 R HA -0.140 4.201 4.340 0.001 0.000 0.239 1101 R C 2.193 178.499 176.300 0.009 0.000 1.137 1101 R CA 2.373 58.473 56.100 0.000 0.000 0.943 1101 R CB -0.887 29.417 30.300 0.006 0.000 0.850 1101 R HN 0.929 nan 8.270 nan 0.000 0.433 1102 A N 0.163 122.991 122.820 0.012 0.000 1.933 1102 A HA -0.168 4.153 4.320 0.001 0.000 0.218 1102 A C 2.468 180.065 177.584 0.022 0.000 1.175 1102 A CA 1.575 53.631 52.037 0.032 0.000 0.628 1102 A CB -0.848 18.184 19.000 0.053 0.000 0.814 1102 A HN 0.629 nan 8.150 nan 0.000 0.444 1103 C N -0.712 118.589 119.300 0.002 0.000 2.432 1103 C HA 0.008 4.469 4.460 0.001 0.000 0.280 1103 C C 2.453 177.447 174.990 0.006 0.000 1.353 1103 C CA 1.101 60.120 59.018 0.002 0.000 1.766 1103 C CB -0.965 26.766 27.740 -0.015 0.000 1.924 1103 C HN 0.571 nan 8.230 nan 0.000 0.509 1104 K N 0.475 120.877 120.400 0.004 0.000 2.459 1104 K HA 0.059 4.380 4.320 0.001 0.000 0.193 1104 K C 0.320 176.926 176.600 0.010 0.000 1.030 1104 K CA 0.361 56.651 56.287 0.005 0.000 1.026 1104 K CB 0.146 32.646 32.500 0.001 0.000 0.809 1104 K HN 0.339 nan 8.250 nan 0.000 0.504 1105 S N 0.155 115.864 115.700 0.014 0.000 2.472 1105 S HA 0.075 4.546 4.470 0.001 0.000 0.303 1105 S C 0.808 175.420 174.600 0.020 0.000 1.099 1105 S CA -0.782 57.427 58.200 0.016 0.000 1.077 1105 S CB 1.823 65.034 63.200 0.018 0.000 1.031 1105 S HN 0.227 nan 8.310 nan 0.000 0.487 1106 S N 1.615 117.324 115.700 0.015 0.000 2.527 1106 S HA -0.092 4.379 4.470 0.001 0.000 0.222 1106 S C 1.092 175.698 174.600 0.010 0.000 0.985 1106 S CA 0.430 58.640 58.200 0.016 0.000 0.921 1106 S CB -0.421 62.786 63.200 0.012 0.000 0.772 1106 S HN 0.766 nan 8.310 nan 0.000 0.529 1107 N N 1.330 120.035 118.700 0.009 0.000 2.313 1107 N HA 0.179 4.920 4.740 0.001 0.000 0.207 1107 N C -0.240 175.278 175.510 0.013 0.000 1.141 1107 N CA 0.010 53.061 53.050 0.003 0.000 0.830 1107 N CB 0.194 38.681 38.487 0.000 0.000 1.008 1107 N HN 0.314 nan 8.380 nan 0.000 0.481 1108 S N 0.200 115.918 115.700 0.029 0.000 2.533 1108 S HA 0.348 4.819 4.470 0.001 0.000 0.271 1108 S C -0.727 173.920 174.600 0.078 0.000 1.143 1108 S CA -0.742 57.492 58.200 0.057 0.000 0.891 1108 S CB 0.737 63.980 63.200 0.072 0.000 1.105 1108 S HN 0.365 nan 8.310 nan 0.000 0.468 1109 N N 2.396 121.166 118.700 0.116 0.000 2.159 1109 N HA 0.109 4.850 4.740 0.001 0.000 0.217 1109 N C -0.369 175.251 175.510 0.183 0.000 1.223 1109 N CA -0.202 52.928 53.050 0.133 0.000 0.896 1109 N CB -0.123 38.457 38.487 0.155 0.000 1.064 1109 N HN 0.423 nan 8.380 nan 0.000 0.518 1110 F N 2.960 122.916 119.950 0.010 0.000 2.662 1110 F HA 0.245 4.773 4.527 0.001 0.000 0.365 1110 F C 0.528 176.323 175.800 -0.009 0.000 1.222 1110 F CA -1.660 56.341 58.000 0.002 0.000 1.315 1110 F CB -0.935 38.072 39.000 0.012 0.000 1.711 1110 F HN 0.091 nan 8.300 nan 0.000 0.651 1111 C N 4.057 123.256 119.300 -0.168 0.000 2.437 1111 C HA -0.070 4.391 4.460 0.001 0.000 0.399 1111 C C 1.916 176.681 174.990 -0.375 0.000 1.478 1111 C CA -0.006 58.886 59.018 -0.210 0.000 1.538 1111 C CB -0.612 27.033 27.740 -0.158 0.000 2.506 1111 C HN 0.871 nan 8.230 nan 0.000 0.603 1112 E N 2.061 122.105 120.200 -0.260 0.000 2.463 1112 E HA -0.127 4.223 4.350 0.001 0.000 0.201 1112 E C 1.367 177.835 176.600 -0.220 0.000 1.045 1112 E CA 0.890 57.136 56.400 -0.256 0.000 0.872 1112 E CB 0.125 29.743 29.700 -0.136 0.000 0.797 1112 E HN 0.690 nan 8.360 nan 0.000 0.538 1113 K N 1.748 122.031 120.400 -0.195 0.000 2.437 1113 K HA 0.034 4.355 4.320 0.001 0.000 0.198 1113 K C 0.308 176.813 176.600 -0.158 0.000 1.024 1113 K CA -0.232 55.967 56.287 -0.147 0.000 1.148 1113 K CB -0.060 32.373 32.500 -0.112 0.000 0.860 1113 K HN 0.220 nan 8.250 nan 0.000 0.515 1114 N N 0.580 119.136 118.700 -0.240 0.000 2.482 1114 N HA -0.069 4.672 4.740 0.001 0.000 0.260 1114 N C -0.284 175.155 175.510 -0.118 0.000 1.236 1114 N CA 0.223 53.154 53.050 -0.200 0.000 0.938 1114 N CB 1.248 39.541 38.487 -0.324 0.000 1.128 1114 N HN -0.132 nan 8.380 nan 0.000 0.448 1115 D N 0.715 121.085 120.400 -0.050 0.000 2.388 1115 D HA 0.199 4.840 4.640 0.001 0.000 0.221 1115 D C 1.131 177.434 176.300 0.005 0.000 1.133 1115 D CA -0.065 53.921 54.000 -0.024 0.000 0.831 1115 D CB 0.017 40.807 40.800 -0.017 0.000 0.962 1115 D HN 0.510 nan 8.370 nan 0.000 0.502 1116 M N -1.170 118.456 119.600 0.044 0.000 2.419 1116 M HA 0.147 4.627 4.480 0.001 0.000 0.264 1116 M C 1.871 178.225 176.300 0.090 0.000 1.082 1116 M CA 0.999 56.357 55.300 0.096 0.000 1.119 1116 M CB 0.417 33.151 32.600 0.225 0.000 1.398 1116 M HN 0.153 nan 8.290 nan 0.000 0.453 1117 G N -0.467 108.378 108.800 0.075 0.000 2.556 1117 G HA2 0.147 4.108 3.960 0.001 0.000 0.209 1117 G HA3 0.147 4.108 3.960 0.001 0.000 0.209 1117 G C 1.555 176.471 174.900 0.027 0.000 1.159 1117 G CA 0.593 45.733 45.100 0.066 0.000 0.828 1117 G HN 0.447 nan 8.290 nan 0.000 0.553 1118 A N -0.056 122.769 122.820 0.008 0.000 1.930 1118 A HA 0.232 4.553 4.320 0.001 0.000 0.215 1118 A C 1.570 179.148 177.584 -0.011 0.000 1.176 1118 A CA 1.406 53.441 52.037 -0.002 0.000 0.632 1118 A CB -0.171 18.824 19.000 -0.010 0.000 0.819 1118 A HN 0.109 nan 8.150 nan 0.000 0.445 1119 K N -0.199 120.192 120.400 -0.015 0.000 3.077 1119 K HA -0.171 4.150 4.320 0.001 0.000 0.264 1119 K C 1.067 177.636 176.600 -0.051 0.000 1.008 1119 K CA 1.129 57.394 56.287 -0.037 0.000 0.740 1119 K CB -2.493 29.981 32.500 -0.043 0.000 1.273 1119 K HN 0.895 nan 8.250 nan 0.000 0.477 1120 T N -3.638 110.903 114.554 -0.021 0.000 2.867 1120 T HA -0.030 4.321 4.350 0.001 0.000 0.268 1120 T C 1.556 176.281 174.700 0.042 0.000 1.057 1120 T CA 1.659 63.763 62.100 0.005 0.000 1.136 1120 T CB -0.088 68.797 68.868 0.029 0.000 0.874 1120 T HN 0.843 nan 8.240 nan 0.000 0.466 1121 G N 1.105 109.929 108.800 0.039 0.000 2.168 1121 G HA2 -0.197 3.764 3.960 0.001 0.000 0.257 1121 G HA3 -0.197 3.764 3.960 0.001 0.000 0.257 1121 G C -0.102 174.935 174.900 0.229 0.000 0.997 1121 G CA 0.685 45.858 45.100 0.122 0.000 0.708 1121 G HN 0.705 nan 8.290 nan 0.000 0.520 1122 L N -1.068 120.231 121.223 0.128 0.000 2.277 1122 L HA 0.715 5.056 4.340 0.001 0.000 0.254 1122 L C 0.836 177.712 176.870 0.010 0.000 1.044 1122 L CA -1.722 53.161 54.840 0.072 0.000 0.842 1122 L CB 1.168 43.278 42.059 0.086 0.000 1.422 1122 L HN -0.051 nan 8.230 nan 0.000 0.422 1123 M N 0.183 119.767 119.600 -0.027 0.000 2.055 1123 M HA 0.200 4.681 4.480 0.001 0.000 0.279 1123 M C 1.341 177.628 176.300 -0.022 0.000 1.236 1123 M CA 0.132 55.408 55.300 -0.040 0.000 1.074 1123 M CB 0.037 32.598 32.600 -0.066 0.000 1.394 1123 M HN 0.815 nan 8.290 nan 0.000 0.492 1124 A N 0.717 123.523 122.820 -0.022 0.000 1.986 1124 A HA -0.182 4.139 4.320 0.001 0.000 0.220 1124 A C 1.191 178.768 177.584 -0.011 0.000 1.171 1124 A CA 2.171 54.198 52.037 -0.017 0.000 0.640 1124 A CB -0.963 18.028 19.000 -0.015 0.000 0.811 1124 A HN 0.864 nan 8.150 nan 0.000 0.451 1125 D N -2.329 118.064 120.400 -0.012 0.000 2.319 1125 D HA 0.086 4.727 4.640 0.001 0.000 0.230 1125 D C 0.593 176.890 176.300 -0.006 0.000 1.094 1125 D CA 0.163 54.158 54.000 -0.008 0.000 0.856 1125 D CB -0.153 40.641 40.800 -0.011 0.000 0.915 1125 D HN 0.203 nan 8.370 nan 0.000 0.517 1126 M N -0.018 119.581 119.600 -0.002 0.000 2.818 1126 M HA -0.155 4.326 4.480 0.001 0.000 0.204 1126 M C -0.295 176.007 176.300 0.003 0.000 0.552 1126 M CA 0.925 56.232 55.300 0.011 0.000 0.687 1126 M CB -3.119 29.492 32.600 0.019 0.000 2.512 1126 M HN 0.440 nan 8.290 nan 0.000 0.563 1127 T N -3.646 110.896 114.554 -0.020 0.000 2.926 1127 T HA 0.767 5.118 4.350 0.001 0.000 0.289 1127 T C 0.033 174.690 174.700 -0.072 0.000 1.054 1127 T CA -0.215 61.860 62.100 -0.041 0.000 1.015 1127 T CB 3.002 71.845 68.868 -0.041 0.000 1.167 1127 T HN 0.224 nan 8.240 nan 0.000 0.526 1128 S N -0.824 114.816 115.700 -0.101 0.000 2.578 1128 S HA 0.496 4.967 4.470 0.001 0.000 0.301 1128 S C 0.588 175.090 174.600 -0.163 0.000 1.091 1128 S CA -0.945 57.169 58.200 -0.143 0.000 1.032 1128 S CB 1.010 64.120 63.200 -0.151 0.000 1.064 1128 S HN 0.659 nan 8.310 nan 0.000 0.508 1129 R N 1.853 122.173 120.500 -0.299 0.000 2.362 1129 R HA 0.245 4.586 4.340 0.001 0.000 0.227 1129 R C -0.680 175.500 176.300 -0.200 0.000 0.905 1129 R CA 0.193 56.119 56.100 -0.291 0.000 1.067 1129 R CB -0.254 29.802 30.300 -0.407 0.000 1.078 1129 R HN 0.579 nan 8.270 nan 0.000 0.516 1130 F N 0.685 120.606 119.950 -0.048 0.000 2.420 1130 F HA 0.339 4.866 4.527 0.001 0.000 0.342 1130 F C 0.429 176.195 175.800 -0.057 0.000 1.113 1130 F CA -0.667 57.304 58.000 -0.049 0.000 1.059 1130 F CB 1.980 40.941 39.000 -0.065 0.000 1.128 1130 F HN -0.322 nan 8.300 nan 0.000 0.475 1131 T N 2.361 117.018 114.554 0.172 0.000 2.881 1131 T HA 0.440 4.790 4.350 0.001 0.000 0.290 1131 T C -1.583 173.171 174.700 0.091 0.000 1.000 1131 T CA -0.618 61.539 62.100 0.096 0.000 0.978 1131 T CB 1.595 70.505 68.868 0.069 0.000 0.997 1131 T HN 0.741 nan 8.240 nan 0.000 0.443 1132 C N 3.862 123.232 119.300 0.118 0.000 2.811 1132 C HA 0.591 5.052 4.460 0.001 0.000 0.352 1132 C C 0.443 175.606 174.990 0.289 0.000 1.098 1132 C CA -0.559 58.566 59.018 0.178 0.000 1.295 1132 C CB 0.286 28.110 27.740 0.140 0.000 1.758 1132 C HN 1.102 nan 8.230 nan 0.000 0.488 1133 R N 3.614 124.241 120.500 0.212 0.000 3.502 1133 R HA -0.202 4.139 4.340 0.001 0.000 0.266 1133 R C 1.219 177.586 176.300 0.112 0.000 1.077 1133 R CA 1.252 57.437 56.100 0.141 0.000 0.718 1133 R CB -1.761 28.600 30.300 0.101 0.000 1.120 1133 R HN 2.073 nan 8.270 nan 0.000 0.457 1134 G N -1.061 107.801 108.800 0.103 0.000 2.184 1134 G HA2 -0.346 3.615 3.960 0.001 0.000 0.264 1134 G HA3 -0.346 3.615 3.960 0.001 0.000 0.264 1134 G C -0.015 174.938 174.900 0.089 0.000 0.975 1134 G CA 0.842 45.987 45.100 0.075 0.000 0.642 1134 G HN 0.237 nan 8.290 nan 0.000 0.536 1135 K N 0.505 120.990 120.400 0.142 0.000 2.156 1135 K HA 0.562 4.883 4.320 0.001 0.000 0.254 1135 K C -2.825 173.823 176.600 0.080 0.000 0.950 1135 K CA -2.311 54.057 56.287 0.135 0.000 0.849 1135 K CB 1.805 34.450 32.500 0.242 0.000 1.100 1135 K HN -0.025 nan 8.250 nan 0.000 0.434 1136 P HA 0.210 nan 4.420 nan 0.000 0.276 1136 P C -0.449 176.754 177.300 -0.160 0.000 1.235 1136 P CA -0.203 62.848 63.100 -0.081 0.000 0.772 1136 P CB 0.479 32.091 31.700 -0.146 0.000 0.871 1137 I N 3.989 124.493 120.570 -0.111 0.000 2.377 1137 I HA 0.282 4.453 4.170 0.001 0.000 0.293 1137 I C 0.383 176.442 176.117 -0.097 0.000 0.987 1137 I CA -1.122 60.104 61.300 -0.124 0.000 1.185 1137 I CB 0.344 38.287 38.000 -0.096 0.000 1.341 1137 I HN 0.361 nan 8.210 nan 0.000 0.455 1138 Y N 4.645 124.963 120.300 0.030 0.000 2.314 1138 Y HA 0.141 4.691 4.550 0.001 0.000 0.334 1138 Y C 0.984 176.926 175.900 0.070 0.000 1.266 1138 Y CA -0.087 58.031 58.100 0.029 0.000 1.391 1138 Y CB 0.658 39.091 38.460 -0.045 0.000 1.306 1138 Y HN 0.644 nan 8.280 nan 0.000 0.558 1139 N N 0.681 119.529 118.700 0.246 0.000 2.518 1139 N HA 0.509 5.249 4.740 0.001 0.000 0.284 1139 N C -1.992 173.554 175.510 0.059 0.000 1.230 1139 N CA -0.936 52.234 53.050 0.200 0.000 0.941 1139 N CB 1.048 39.659 38.487 0.206 0.000 1.219 1139 N HN 0.509 nan 8.380 nan 0.000 0.560 1140 L N 0.259 121.489 121.223 0.011 0.000 2.319 1140 L HA 0.479 4.820 4.340 0.001 0.000 0.281 1140 L C -0.152 176.684 176.870 -0.056 0.000 1.005 1140 L CA -0.205 54.589 54.840 -0.077 0.000 0.828 1140 L CB 0.290 42.257 42.059 -0.153 0.000 1.227 1140 L HN 0.744 nan 8.230 nan 0.000 0.415 1141 M N 5.194 124.761 119.600 -0.054 0.000 2.210 1141 M HA -0.253 4.228 4.480 0.001 0.000 0.198 1141 M C 1.214 177.531 176.300 0.029 0.000 0.319 1141 M CA 1.140 56.436 55.300 -0.006 0.000 0.399 1141 M CB -2.036 30.564 32.600 0.001 0.000 1.227 1141 M HN 1.063 nan 8.290 nan 0.000 0.931 1142 G N -1.271 107.539 108.800 0.016 0.000 2.168 1142 G HA2 -0.392 3.569 3.960 0.001 0.000 0.263 1142 G HA3 -0.392 3.569 3.960 0.001 0.000 0.263 1142 G C 0.462 175.381 174.900 0.032 0.000 0.977 1142 G CA 1.714 46.822 45.100 0.013 0.000 0.659 1142 G HN 0.832 nan 8.290 nan 0.000 0.533 1143 T N -4.253 110.335 114.554 0.057 0.000 3.330 1143 T HA 0.591 4.942 4.350 0.001 0.000 0.185 1143 T C 0.775 175.546 174.700 0.119 0.000 0.874 1143 T CA 1.064 63.213 62.100 0.081 0.000 1.268 1143 T CB 0.479 69.407 68.868 0.101 0.000 1.866 1143 T HN 1.591 nan 8.240 nan 0.000 0.395 1144 S N 0.994 116.737 115.700 0.070 0.000 3.080 1144 S HA -0.022 4.449 4.470 0.001 0.000 0.790 1144 S C 0.428 175.064 174.600 0.061 0.000 0.736 1144 S CA 0.378 58.601 58.200 0.039 0.000 1.493 1144 S CB -1.353 61.972 63.200 0.209 0.000 1.047 1144 S HN 1.317 nan 8.310 nan 0.000 0.709 1145 T N -0.865 113.666 114.554 -0.038 0.000 3.040 1145 T HA 0.347 4.698 4.350 0.001 0.000 0.266 1145 T C 0.415 175.336 174.700 0.369 0.000 1.005 1145 T CA -0.214 61.957 62.100 0.117 0.000 0.906 1145 T CB -0.129 68.783 68.868 0.074 0.000 1.082 1145 T HN 0.579 nan 8.240 nan 0.000 0.531 1146 F N 3.009 123.031 119.950 0.120 0.000 2.859 1146 F HA 0.401 4.929 4.527 0.001 0.000 0.315 1146 F C 0.948 176.751 175.800 0.004 0.000 1.207 1146 F CA -0.550 57.520 58.000 0.116 0.000 1.370 1146 F CB -0.024 39.011 39.000 0.058 0.000 1.314 1146 F HN 0.198 nan 8.300 nan 0.000 0.555 1147 T N -1.584 113.119 114.554 0.248 0.000 2.942 1147 T HA 0.131 4.482 4.350 0.001 0.000 0.327 1147 T C 0.603 175.394 174.700 0.152 0.000 1.360 1147 T CA -0.498 61.638 62.100 0.059 0.000 1.055 1147 T CB 1.664 70.502 68.868 -0.050 0.000 1.261 1147 T HN 0.330 nan 8.240 nan 0.000 0.485 1148 E N 1.267 121.473 120.200 0.010 0.000 2.153 1148 E HA 0.006 4.357 4.350 0.001 0.000 0.194 1148 E C -0.556 175.991 176.600 -0.088 0.000 0.988 1148 E CA 1.229 57.640 56.400 0.019 0.000 0.811 1148 E CB 0.151 29.873 29.700 0.036 0.000 0.746 1148 E HN 0.533 nan 8.360 nan 0.000 0.466 1149 Y N -1.361 119.032 120.300 0.155 0.000 2.492 1149 Y HA 0.389 4.940 4.550 0.001 0.000 0.346 1149 Y C 0.030 176.084 175.900 0.258 0.000 0.997 1149 Y CA -0.681 57.523 58.100 0.174 0.000 1.025 1149 Y CB 2.495 41.035 38.460 0.134 0.000 1.263 1149 Y HN -0.310 nan 8.280 nan 0.000 0.454 1150 T N 1.474 116.249 114.554 0.368 0.000 2.841 1150 T HA 0.791 5.142 4.350 0.001 0.000 0.296 1150 T C -1.970 172.829 174.700 0.165 0.000 1.166 1150 T CA -0.553 61.768 62.100 0.368 0.000 1.007 1150 T CB 1.264 70.331 68.868 0.332 0.000 1.253 1150 T HN 0.334 nan 8.240 nan 0.000 0.511 1151 V N 3.186 123.107 119.914 0.012 0.000 2.531 1151 V HA 0.759 4.880 4.120 0.001 0.000 0.301 1151 V C -0.126 175.934 176.094 -0.057 0.000 1.034 1151 V CA -0.625 61.643 62.300 -0.053 0.000 0.865 1151 V CB 1.338 33.070 31.823 -0.152 0.000 0.995 1151 V HN 0.874 nan 8.190 nan 0.000 0.424 1152 V N 1.833 121.737 119.914 -0.017 0.000 3.102 1152 V HA 1.033 5.154 4.120 0.001 0.000 0.312 1152 V C 0.211 176.298 176.094 -0.011 0.000 1.135 1152 V CA -0.895 61.398 62.300 -0.013 0.000 1.022 1152 V CB 1.874 33.703 31.823 0.009 0.000 1.056 1152 V HN 1.123 nan 8.190 nan 0.000 0.436 1153 A N 1.435 124.247 122.820 -0.013 0.000 2.386 1153 A HA 0.442 4.763 4.320 0.001 0.000 0.248 1153 A C 0.973 178.561 177.584 0.007 0.000 1.082 1153 A CA 0.382 52.417 52.037 -0.002 0.000 0.789 1153 A CB 0.075 19.066 19.000 -0.016 0.000 1.025 1153 A HN 1.264 nan 8.150 nan 0.000 0.490 1154 D N 0.777 121.197 120.400 0.032 0.000 2.378 1154 D HA -0.164 4.477 4.640 0.001 0.000 0.222 1154 D C 1.015 177.321 176.300 0.010 0.000 0.980 1154 D CA 1.300 55.321 54.000 0.035 0.000 0.907 1154 D CB -0.488 40.361 40.800 0.081 0.000 0.899 1154 D HN 0.634 nan 8.370 nan 0.000 0.527 1155 I N -3.996 116.567 120.570 -0.012 0.000 3.883 1155 I HA 0.437 4.608 4.170 0.001 0.000 0.326 1155 I C 1.206 177.297 176.117 -0.043 0.000 1.283 1155 I CA -0.179 61.102 61.300 -0.032 0.000 1.161 1155 I CB 0.239 38.208 38.000 -0.052 0.000 1.012 1155 I HN -0.008 nan 8.210 nan 0.000 0.421 1156 A N 1.171 123.969 122.820 -0.037 0.000 2.701 1156 A HA 0.636 4.957 4.320 0.001 0.000 0.297 1156 A C -0.108 177.454 177.584 -0.036 0.000 1.197 1156 A CA -0.266 51.740 52.037 -0.052 0.000 0.963 1156 A CB 0.222 19.194 19.000 -0.047 0.000 1.175 1156 A HN 0.246 nan 8.150 nan 0.000 0.531 1157 V N -0.103 119.798 119.914 -0.021 0.000 2.760 1157 V HA 0.802 4.923 4.120 0.001 0.000 0.309 1157 V C -0.992 175.101 176.094 -0.002 0.000 1.077 1157 V CA -0.185 62.111 62.300 -0.007 0.000 0.910 1157 V CB 1.871 33.697 31.823 0.005 0.000 1.008 1157 V HN 0.756 nan 8.190 nan 0.000 0.424 1158 A N 5.957 128.781 122.820 0.006 0.000 2.310 1158 A HA 0.635 4.956 4.320 0.001 0.000 0.304 1158 A C -0.382 177.209 177.584 0.012 0.000 1.231 1158 A CA -0.678 51.368 52.037 0.014 0.000 0.799 1158 A CB 0.872 19.889 19.000 0.028 0.000 1.162 1158 A HN 0.883 nan 8.150 nan 0.000 0.486 1159 K N 3.113 123.519 120.400 0.010 0.000 2.350 1159 K HA 0.510 4.830 4.320 0.001 0.000 0.279 1159 K C -0.292 176.311 176.600 0.004 0.000 1.027 1159 K CA -0.020 56.271 56.287 0.007 0.000 0.969 1159 K CB 0.265 32.769 32.500 0.006 0.000 0.954 1159 K HN 0.751 nan 8.250 nan 0.000 0.474 1160 I N -1.153 119.417 120.570 -0.001 0.000 3.343 1160 I HA 0.347 4.518 4.170 0.001 0.000 0.315 1160 I C -0.438 175.672 176.117 -0.012 0.000 1.153 1160 I CA -1.266 60.030 61.300 -0.006 0.000 0.952 1160 I CB 1.376 39.373 38.000 -0.007 0.000 1.287 1160 I HN 0.499 nan 8.210 nan 0.000 0.472 1161 D N 2.455 122.843 120.400 -0.019 0.000 2.531 1161 D HA 0.058 4.699 4.640 0.001 0.000 0.239 1161 D C -1.755 174.529 176.300 -0.026 0.000 1.144 1161 D CA -0.909 53.075 54.000 -0.027 0.000 0.869 1161 D CB 1.546 42.322 40.800 -0.041 0.000 1.160 1161 D HN 0.305 nan 8.370 nan 0.000 0.484 1162 P HA -0.143 nan 4.420 nan 0.000 0.217 1162 P C 0.100 177.383 177.300 -0.028 0.000 1.148 1162 P CA 1.490 64.577 63.100 -0.021 0.000 0.828 1162 P CB 0.238 31.927 31.700 -0.018 0.000 0.783 1163 K N -0.985 119.392 120.400 -0.038 0.000 2.500 1163 K HA 0.355 4.676 4.320 0.001 0.000 0.206 1163 K C 0.369 176.932 176.600 -0.063 0.000 1.034 1163 K CA -0.240 56.018 56.287 -0.048 0.000 1.179 1163 K CB -0.353 32.114 32.500 -0.055 0.000 0.884 1163 K HN -0.019 nan 8.250 nan 0.000 0.493 1164 A N 2.362 125.152 122.820 -0.051 0.000 2.488 1164 A HA 0.275 4.596 4.320 0.001 0.000 0.249 1164 A C -2.210 175.353 177.584 -0.034 0.000 1.083 1164 A CA -1.130 50.878 52.037 -0.049 0.000 0.768 1164 A CB -0.194 18.794 19.000 -0.019 0.000 1.017 1164 A HN 0.069 nan 8.150 nan 0.000 0.496 1165 P HA 0.083 nan 4.420 nan 0.000 0.269 1165 P C 0.878 178.194 177.300 0.026 0.000 1.215 1165 P CA -0.284 62.813 63.100 -0.005 0.000 0.780 1165 P CB 0.424 32.125 31.700 0.002 0.000 0.898 1166 L N 1.137 122.360 121.223 0.001 0.000 2.127 1166 L HA -0.212 4.129 4.340 0.001 0.000 0.211 1166 L C 1.689 178.544 176.870 -0.025 0.000 1.089 1166 L CA 1.704 56.531 54.840 -0.023 0.000 0.757 1166 L CB -0.726 41.313 42.059 -0.034 0.000 0.899 1166 L HN 0.425 nan 8.230 nan 0.000 0.434 1167 E N -0.465 119.737 120.200 0.004 0.000 2.515 1167 E HA -0.105 4.246 4.350 0.001 0.000 0.201 1167 E C 2.066 178.595 176.600 -0.119 0.000 1.071 1167 E CA 0.440 56.812 56.400 -0.047 0.000 0.880 1167 E CB -0.078 29.604 29.700 -0.029 0.000 0.828 1167 E HN 0.265 nan 8.360 nan 0.000 0.540 1168 S N 0.038 115.719 115.700 -0.031 0.000 2.469 1168 S HA -0.173 4.297 4.470 0.001 0.000 0.238 1168 S C 2.061 176.602 174.600 -0.098 0.000 0.998 1168 S CA 1.000 59.155 58.200 -0.075 0.000 0.957 1168 S CB -0.598 62.622 63.200 0.034 0.000 0.764 1168 S HN 0.726 nan 8.310 nan 0.000 0.514 1169 C N 1.254 120.509 119.300 -0.076 0.000 2.410 1169 C HA 0.027 4.488 4.460 0.001 0.000 0.281 1169 C C 2.154 177.123 174.990 -0.037 0.000 1.318 1169 C CA 0.076 59.062 59.018 -0.054 0.000 1.776 1169 C CB -1.873 25.825 27.740 -0.070 0.000 1.942 1169 C HN 0.496 nan 8.230 nan 0.000 0.508 1170 L N 0.508 121.687 121.223 -0.075 0.000 2.275 1170 L HA -0.016 4.325 4.340 0.001 0.000 0.215 1170 L C 2.686 179.593 176.870 0.062 0.000 1.119 1170 L CA 1.239 56.066 54.840 -0.023 0.000 0.790 1170 L CB -0.551 41.470 42.059 -0.063 0.000 0.919 1170 L HN 0.343 nan 8.230 nan 0.000 0.443 1171 I N 0.075 120.643 120.570 -0.003 0.000 2.830 1171 I HA -0.136 4.034 4.170 0.001 0.000 0.263 1171 I C 2.479 178.717 176.117 0.202 0.000 1.230 1171 I CA 0.910 62.247 61.300 0.062 0.000 1.480 1171 I CB -0.531 37.427 38.000 -0.070 0.000 1.095 1171 I HN 0.248 nan 8.210 nan 0.000 0.455 1172 G N -0.580 108.341 108.800 0.201 0.000 2.470 1172 G HA2 -0.225 3.735 3.960 0.001 0.000 0.220 1172 G HA3 -0.225 3.735 3.960 0.001 0.000 0.220 1172 G C 1.294 176.522 174.900 0.548 0.000 1.121 1172 G CA 1.097 46.383 45.100 0.311 0.000 0.766 1172 G HN 0.507 nan 8.290 nan 0.000 0.553 1173 C N -2.789 116.772 119.300 0.435 0.000 3.269 1173 C HA 0.440 4.901 4.460 0.001 0.000 0.227 1173 C C 2.891 178.072 174.990 0.319 0.000 2.518 1173 C CA 1.459 60.789 59.018 0.521 0.000 1.174 1173 C CB -0.539 27.350 27.740 0.248 0.000 1.363 1173 C HN 0.404 nan 8.230 nan 0.000 0.689 1174 G N 0.788 109.690 108.800 0.170 0.000 2.631 1174 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 1174 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 1174 G C 1.338 176.325 174.900 0.145 0.000 1.214 1174 G CA 1.775 46.955 45.100 0.134 0.000 0.785 1174 G HN 0.609 nan 8.290 nan 0.000 0.596 1175 F N 2.349 122.314 119.950 0.026 0.000 2.051 1175 F HA 0.069 4.596 4.527 0.001 0.000 0.296 1175 F C 2.943 178.764 175.800 0.035 0.000 1.122 1175 F CA 1.697 59.697 58.000 0.001 0.000 1.201 1175 F CB -0.541 38.389 39.000 -0.116 0.000 0.978 1175 F HN 0.250 nan 8.300 nan 0.000 0.472 1176 A N -0.466 122.388 122.820 0.057 0.000 1.917 1176 A HA -0.245 4.075 4.320 0.001 0.000 0.219 1176 A C 2.181 179.760 177.584 -0.009 0.000 1.182 1176 A CA 2.551 54.520 52.037 -0.113 0.000 0.633 1176 A CB -1.518 17.159 19.000 -0.538 0.000 0.819 1176 A HN 0.491 nan 8.150 nan 0.000 0.448 1177 T N -0.527 114.051 114.554 0.039 0.000 2.674 1177 T HA -0.028 4.323 4.350 0.001 0.000 0.265 1177 T C 1.978 176.691 174.700 0.022 0.000 1.039 1177 T CA 1.618 63.775 62.100 0.094 0.000 1.150 1177 T CB -0.692 68.290 68.868 0.190 0.000 0.864 1177 T HN 0.596 nan 8.240 nan 0.000 0.427 1178 G N -0.332 108.456 108.800 -0.021 0.000 2.404 1178 G HA2 -0.189 3.772 3.960 0.001 0.000 0.214 1178 G HA3 -0.189 3.772 3.960 0.001 0.000 0.214 1178 G C 1.401 176.235 174.900 -0.110 0.000 1.189 1178 G CA 0.575 45.643 45.100 -0.053 0.000 0.789 1178 G HN 0.494 nan 8.290 nan 0.000 0.533 1179 Y N 1.951 122.019 120.300 -0.386 0.000 2.128 1179 Y HA -0.104 4.447 4.550 0.001 0.000 0.284 1179 Y C 2.808 178.617 175.900 -0.152 0.000 1.154 1179 Y CA 1.910 59.785 58.100 -0.375 0.000 1.149 1179 Y CB -0.533 37.470 38.460 -0.761 0.000 0.976 1179 Y HN 0.133 nan 8.280 nan 0.000 0.505 1180 G N -0.503 108.332 108.800 0.057 0.000 2.422 1180 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 1180 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 1180 G C 1.833 176.567 174.900 -0.276 0.000 1.146 1180 G CA 0.916 45.884 45.100 -0.219 0.000 0.769 1180 G HN 0.615 nan 8.290 nan 0.000 0.547 1181 A N 0.928 123.651 122.820 -0.162 0.000 1.986 1181 A HA 0.203 4.524 4.320 0.001 0.000 0.220 1181 A C 2.713 180.194 177.584 -0.171 0.000 1.171 1181 A CA 2.397 54.355 52.037 -0.131 0.000 0.640 1181 A CB -0.541 18.420 19.000 -0.064 0.000 0.811 1181 A HN 0.734 nan 8.150 nan 0.000 0.451 1182 A N -1.078 121.604 122.820 -0.230 0.000 1.861 1182 A HA 0.186 4.507 4.320 0.001 0.000 0.212 1182 A C 2.155 179.532 177.584 -0.346 0.000 1.199 1182 A CA 1.389 53.261 52.037 -0.276 0.000 0.613 1182 A CB -0.667 18.161 19.000 -0.287 0.000 0.846 1182 A HN 0.351 nan 8.150 nan 0.000 0.446 1183 V N 0.730 120.392 119.914 -0.419 0.000 2.488 1183 V HA -0.178 3.943 4.120 0.001 0.000 0.246 1183 V C 1.879 177.781 176.094 -0.321 0.000 1.046 1183 V CA 2.208 64.271 62.300 -0.394 0.000 1.053 1183 V CB -0.921 30.611 31.823 -0.484 0.000 0.679 1183 V HN 0.645 nan 8.190 nan 0.000 0.458 1184 N N -1.126 117.359 118.700 -0.358 0.000 2.545 1184 N HA -0.033 4.708 4.740 0.001 0.000 0.190 1184 N C 1.700 177.079 175.510 -0.218 0.000 1.043 1184 N CA 0.996 53.856 53.050 -0.317 0.000 0.879 1184 N CB 0.145 38.346 38.487 -0.476 0.000 1.210 1184 N HN 0.300 nan 8.380 nan 0.000 0.437 1185 T N 0.636 115.069 114.554 -0.202 0.000 2.755 1185 T HA 0.075 4.426 4.350 0.001 0.000 0.251 1185 T C 2.127 176.774 174.700 -0.087 0.000 1.044 1185 T CA 1.060 63.084 62.100 -0.125 0.000 1.154 1185 T CB -0.378 68.428 68.868 -0.103 0.000 0.866 1185 T HN 0.211 nan 8.240 nan 0.000 0.416 1186 A N 1.111 123.871 122.820 -0.099 0.000 1.930 1186 A HA 0.032 4.353 4.320 0.001 0.000 0.217 1186 A C 0.936 178.454 177.584 -0.111 0.000 1.175 1186 A CA 1.094 53.109 52.037 -0.038 0.000 0.627 1186 A CB -0.476 18.485 19.000 -0.066 0.000 0.815 1186 A HN 0.606 nan 8.150 nan 0.000 0.443 1187 K N -1.033 119.233 120.400 -0.223 0.000 3.239 1187 K HA -0.104 4.217 4.320 0.001 0.000 0.270 1187 K C -0.549 175.804 176.600 -0.413 0.000 1.049 1187 K CA 0.323 56.474 56.287 -0.228 0.000 0.769 1187 K CB -2.310 30.133 32.500 -0.094 0.000 1.305 1187 K HN 0.239 nan 8.250 nan 0.000 0.469 1188 V N 1.747 121.275 119.914 -0.644 0.000 2.617 1188 V HA -0.030 4.091 4.120 0.001 0.000 0.304 1188 V C 1.317 177.152 176.094 -0.431 0.000 1.040 1188 V CA 0.911 62.661 62.300 -0.916 0.000 1.149 1188 V CB 0.919 32.360 31.823 -0.637 0.000 0.914 1188 V HN 0.519 nan 8.190 nan 0.000 0.487 1189 T N 4.303 118.694 114.554 -0.272 0.000 2.929 1189 T HA 0.553 4.904 4.350 0.001 0.000 0.284 1189 T C -2.762 171.922 174.700 -0.026 0.000 1.014 1189 T CA -2.474 59.590 62.100 -0.061 0.000 1.051 1189 T CB 1.714 70.618 68.868 0.060 0.000 1.028 1189 T HN 0.414 nan 8.240 nan 0.000 0.485 1190 P HA 0.291 nan 4.420 nan 0.000 0.264 1190 P C 1.129 178.435 177.300 0.011 0.000 1.193 1190 P CA 1.090 64.185 63.100 -0.008 0.000 0.763 1190 P CB 0.203 31.899 31.700 -0.006 0.000 0.810 1191 G N 1.790 110.595 108.800 0.009 0.000 2.176 1191 G HA2 -0.246 3.715 3.960 0.001 0.000 0.253 1191 G HA3 -0.246 3.715 3.960 0.001 0.000 0.253 1191 G C 0.450 175.366 174.900 0.026 0.000 0.979 1191 G CA 0.323 45.431 45.100 0.013 0.000 0.641 1191 G HN 0.769 nan 8.290 nan 0.000 0.530 1192 S N -0.205 115.530 115.700 0.058 0.000 2.655 1192 S HA 0.700 5.171 4.470 0.001 0.000 0.265 1192 S C 0.304 174.953 174.600 0.082 0.000 1.240 1192 S CA 0.630 58.894 58.200 0.106 0.000 0.986 1192 S CB 1.593 64.966 63.200 0.288 0.000 0.985 1192 S HN 1.597 nan 8.310 nan 0.000 0.562 1193 T N -1.412 113.194 114.554 0.086 0.000 2.779 1193 T HA 0.646 4.996 4.350 0.001 0.000 0.280 1193 T C -0.329 174.434 174.700 0.105 0.000 0.987 1193 T CA -0.804 61.328 62.100 0.054 0.000 0.966 1193 T CB -0.202 68.670 68.868 0.007 0.000 0.933 1193 T HN 0.729 nan 8.240 nan 0.000 0.442 1194 C N 2.473 121.818 119.300 0.075 0.000 2.614 1194 C HA 0.981 5.442 4.460 0.001 0.000 0.320 1194 C C 0.379 175.391 174.990 0.036 0.000 1.200 1194 C CA -0.755 58.319 59.018 0.095 0.000 1.700 1194 C CB 0.992 28.769 27.740 0.061 0.000 2.275 1194 C HN 1.212 nan 8.230 nan 0.000 0.492 1195 A N 1.459 124.323 122.820 0.073 0.000 2.359 1195 A HA 0.765 5.085 4.320 0.001 0.000 0.303 1195 A C -1.218 176.408 177.584 0.070 0.000 1.066 1195 A CA -0.269 51.779 52.037 0.018 0.000 0.730 1195 A CB 0.901 19.975 19.000 0.124 0.000 1.211 1195 A HN 0.729 nan 8.150 nan 0.000 0.439 1196 V N 2.925 122.784 119.914 -0.092 0.000 2.378 1196 V HA 0.439 4.560 4.120 0.001 0.000 0.288 1196 V C -1.181 174.848 176.094 -0.109 0.000 1.016 1196 V CA -0.253 62.041 62.300 -0.010 0.000 0.840 1196 V CB 0.742 32.522 31.823 -0.071 0.000 0.994 1196 V HN 0.693 nan 8.190 nan 0.000 0.431 1197 F N 2.826 122.768 119.950 -0.014 0.000 2.385 1197 F HA 0.745 5.273 4.527 0.001 0.000 0.360 1197 F C 0.866 176.680 175.800 0.023 0.000 1.122 1197 F CA -0.399 57.606 58.000 0.007 0.000 1.090 1197 F CB 1.544 40.556 39.000 0.021 0.000 1.150 1197 F HN 0.742 nan 8.300 nan 0.000 0.472 1198 G N 4.077 112.968 108.800 0.152 0.000 3.380 1198 G HA2 -0.118 3.843 3.960 0.001 0.000 0.685 1198 G HA3 -0.118 3.843 3.960 0.001 0.000 0.685 1198 G C -0.976 173.981 174.900 0.094 0.000 1.136 1198 G CA -1.133 44.047 45.100 0.134 0.000 1.011 1198 G HN 0.670 nan 8.290 nan 0.000 0.471 1199 L N 2.989 124.279 121.223 0.112 0.000 2.783 1199 L HA 0.518 4.859 4.340 0.001 0.000 0.235 1199 L C 1.408 178.490 176.870 0.354 0.000 1.260 1199 L CA 0.185 55.107 54.840 0.138 0.000 1.184 1199 L CB 0.014 42.135 42.059 0.103 0.000 1.472 1199 L HN 0.717 nan 8.230 nan 0.000 0.426 1200 G N -0.702 108.264 108.800 0.278 0.000 2.890 1200 G HA2 0.416 4.377 3.960 0.001 0.000 0.189 1200 G HA3 0.416 4.377 3.960 0.001 0.000 0.189 1200 G C 0.938 175.997 174.900 0.265 0.000 1.342 1200 G CA 0.203 45.437 45.100 0.223 0.000 1.026 1200 G HN 0.283 nan 8.290 nan 0.000 0.579 1201 G N -0.875 108.000 108.800 0.125 0.000 2.446 1201 G HA2 -0.146 3.814 3.960 0.001 0.000 0.217 1201 G HA3 -0.146 3.814 3.960 0.001 0.000 0.217 1201 G C 1.627 176.623 174.900 0.160 0.000 1.168 1201 G CA 1.654 46.820 45.100 0.110 0.000 0.771 1201 G HN 0.419 nan 8.290 nan 0.000 0.551 1202 V N 1.467 121.459 119.914 0.130 0.000 2.379 1202 V HA -0.014 4.107 4.120 0.001 0.000 0.245 1202 V C 3.149 179.310 176.094 0.112 0.000 1.044 1202 V CA 1.869 64.233 62.300 0.107 0.000 1.036 1202 V CB -1.035 30.841 31.823 0.089 0.000 0.664 1202 V HN 0.443 nan 8.190 nan 0.000 0.453 1203 G N -0.486 108.397 108.800 0.138 0.000 2.459 1203 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 1203 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 1203 G C 1.501 176.441 174.900 0.067 0.000 1.183 1203 G CA 1.000 46.153 45.100 0.088 0.000 0.776 1203 G HN 0.428 nan 8.290 nan 0.000 0.552 1204 F N 1.694 121.675 119.950 0.052 0.000 2.126 1204 F HA -0.081 4.447 4.527 0.001 0.000 0.299 1204 F C 3.158 179.001 175.800 0.072 0.000 1.096 1204 F CA 1.607 59.649 58.000 0.070 0.000 1.255 1204 F CB -0.331 38.723 39.000 0.091 0.000 0.997 1204 F HN 0.087 nan 8.300 nan 0.000 0.479 1205 S N -0.236 115.601 115.700 0.229 0.000 2.399 1205 S HA -0.189 4.281 4.470 0.001 0.000 0.231 1205 S C 2.317 176.910 174.600 -0.012 0.000 1.022 1205 S CA 0.957 59.190 58.200 0.055 0.000 0.983 1205 S CB -0.657 62.471 63.200 -0.120 0.000 0.803 1205 S HN 0.387 nan 8.310 nan 0.000 0.480 1206 A N 1.396 124.213 122.820 -0.006 0.000 1.930 1206 A HA -0.000 4.321 4.320 0.001 0.000 0.217 1206 A C 2.036 179.593 177.584 -0.044 0.000 1.175 1206 A CA 0.979 52.987 52.037 -0.047 0.000 0.627 1206 A CB -0.608 18.375 19.000 -0.029 0.000 0.815 1206 A HN 0.478 nan 8.150 nan 0.000 0.443 1207 I N -0.379 120.177 120.570 -0.024 0.000 2.142 1207 I HA -0.219 3.951 4.170 0.001 0.000 0.240 1207 I C 2.330 178.466 176.117 0.032 0.000 1.078 1207 I CA 1.246 62.527 61.300 -0.031 0.000 1.343 1207 I CB -0.423 37.528 38.000 -0.081 0.000 1.046 1207 I HN 0.144 nan 8.210 nan 0.000 0.405 1208 V N 1.212 121.195 119.914 0.116 0.000 2.380 1208 V HA -0.260 3.861 4.120 0.001 0.000 0.251 1208 V C 2.531 178.737 176.094 0.187 0.000 1.063 1208 V CA 2.194 64.620 62.300 0.210 0.000 1.055 1208 V CB -1.469 30.563 31.823 0.347 0.000 0.657 1208 V HN 0.609 nan 8.190 nan 0.000 0.455 1209 G N -1.269 107.563 108.800 0.053 0.000 2.404 1209 G HA2 -0.234 3.727 3.960 0.001 0.000 0.215 1209 G HA3 -0.234 3.727 3.960 0.001 0.000 0.215 1209 G C 1.724 176.495 174.900 -0.216 0.000 1.174 1209 G CA 1.195 46.145 45.100 -0.251 0.000 0.780 1209 G HN 0.543 nan 8.290 nan 0.000 0.537 1210 C N 0.211 119.427 119.300 -0.140 0.000 2.425 1210 C HA 0.048 4.509 4.460 0.001 0.000 0.277 1210 C C 2.736 177.681 174.990 -0.075 0.000 1.280 1210 C CA 1.105 60.046 59.018 -0.128 0.000 1.744 1210 C CB -0.538 27.148 27.740 -0.090 0.000 1.989 1210 C HN 0.475 nan 8.230 nan 0.000 0.491 1211 K N 1.813 122.200 120.400 -0.021 0.000 2.026 1211 K HA -0.056 4.265 4.320 0.001 0.000 0.208 1211 K C 2.060 178.675 176.600 0.025 0.000 1.048 1211 K CA 1.869 58.166 56.287 0.017 0.000 0.929 1211 K CB -0.555 31.982 32.500 0.061 0.000 0.713 1211 K HN 0.362 nan 8.250 nan 0.000 0.439 1212 A N 0.095 122.944 122.820 0.049 0.000 2.019 1212 A HA 0.007 4.328 4.320 0.001 0.000 0.219 1212 A C 2.143 179.723 177.584 -0.006 0.000 1.164 1212 A CA 1.720 53.801 52.037 0.072 0.000 0.644 1212 A CB -0.703 18.418 19.000 0.201 0.000 0.805 1212 A HN 0.400 nan 8.150 nan 0.000 0.449 1213 A N -1.844 120.927 122.820 -0.081 0.000 2.208 1213 A HA 0.409 4.729 4.320 0.001 0.000 0.209 1213 A C 1.721 179.262 177.584 -0.073 0.000 1.161 1213 A CA 1.205 53.175 52.037 -0.113 0.000 0.782 1213 A CB -0.745 18.135 19.000 -0.200 0.000 0.816 1213 A HN 1.846 nan 8.150 nan 0.000 0.477 1214 G N -1.878 106.897 108.800 -0.041 0.000 2.130 1214 G HA2 0.144 4.105 3.960 0.001 0.000 0.216 1214 G HA3 0.144 4.105 3.960 0.001 0.000 0.216 1214 G C 0.349 175.236 174.900 -0.022 0.000 0.999 1214 G CA 0.187 45.274 45.100 -0.022 0.000 0.686 1214 G HN 1.522 nan 8.290 nan 0.000 0.515 1215 A N 0.308 123.109 122.820 -0.032 0.000 2.462 1215 A HA 0.679 5.000 4.320 0.001 0.000 0.243 1215 A C 1.680 179.261 177.584 -0.005 0.000 1.076 1215 A CA 1.187 53.214 52.037 -0.016 0.000 0.773 1215 A CB 0.394 19.379 19.000 -0.024 0.000 1.010 1215 A HN 1.666 nan 8.150 nan 0.000 0.493 1216 S N 2.053 117.754 115.700 0.002 0.000 2.439 1216 S HA 0.114 4.585 4.470 0.001 0.000 0.224 1216 S C 0.791 175.387 174.600 -0.007 0.000 1.029 1216 S CA 0.342 58.541 58.200 -0.002 0.000 0.946 1216 S CB 0.056 63.255 63.200 -0.002 0.000 0.797 1216 S HN 0.698 nan 8.310 nan 0.000 0.504 1217 R N 0.285 120.781 120.500 -0.007 0.000 2.575 1217 R HA 0.644 4.984 4.340 0.001 0.000 0.293 1217 R C -1.582 174.705 176.300 -0.022 0.000 0.983 1217 R CA -0.376 55.713 56.100 -0.019 0.000 0.887 1217 R CB 1.859 32.146 30.300 -0.022 0.000 1.184 1217 R HN 0.262 nan 8.270 nan 0.000 0.445 1218 I N 5.033 125.578 120.570 -0.042 0.000 2.476 1218 I HA 0.349 4.519 4.170 0.001 0.000 0.281 1218 I C -0.397 175.659 176.117 -0.101 0.000 1.040 1218 I CA -0.539 60.725 61.300 -0.059 0.000 1.094 1218 I CB 1.662 39.628 38.000 -0.056 0.000 1.219 1218 I HN 0.434 nan 8.210 nan 0.000 0.450 1219 I N 5.193 125.690 120.570 -0.122 0.000 2.325 1219 I HA 0.380 4.551 4.170 0.001 0.000 0.291 1219 I C 0.912 176.868 176.117 -0.269 0.000 1.019 1219 I CA -0.261 60.924 61.300 -0.191 0.000 1.302 1219 I CB 1.307 39.195 38.000 -0.187 0.000 1.401 1219 I HN 0.583 nan 8.210 nan 0.000 0.485 1220 G N 5.740 114.344 108.800 -0.327 0.000 2.338 1220 G HA2 0.556 4.516 3.960 0.001 0.000 0.298 1220 G HA3 0.556 4.516 3.960 0.001 0.000 0.298 1220 G C -0.746 173.876 174.900 -0.463 0.000 1.140 1220 G CA -0.271 44.600 45.100 -0.382 0.000 0.860 1220 G HN 0.375 nan 8.290 nan 0.000 0.470 1221 V N 1.605 121.256 119.914 -0.437 0.000 2.483 1221 V HA 0.910 5.031 4.120 0.001 0.000 0.297 1221 V C 0.481 176.501 176.094 -0.123 0.000 1.027 1221 V CA -0.014 62.046 62.300 -0.401 0.000 0.855 1221 V CB 1.230 32.573 31.823 -0.799 0.000 0.995 1221 V HN 1.227 nan 8.190 nan 0.000 0.424 1222 G N 1.817 110.660 108.800 0.072 0.000 2.601 1222 G HA2 0.484 4.445 3.960 0.001 0.000 0.291 1222 G HA3 0.484 4.445 3.960 0.001 0.000 0.291 1222 G C 0.015 175.132 174.900 0.361 0.000 1.456 1222 G CA 0.239 45.490 45.100 0.252 0.000 0.804 1222 G HN 0.682 nan 8.290 nan 0.000 0.499 1223 T N -2.139 112.605 114.554 0.316 0.000 3.206 1223 T HA 0.265 4.616 4.350 0.001 0.000 0.253 1223 T C 0.009 174.696 174.700 -0.021 0.000 1.042 1223 T CA 0.189 62.392 62.100 0.172 0.000 0.931 1223 T CB -0.335 68.586 68.868 0.088 0.000 1.029 1223 T HN 0.419 nan 8.240 nan 0.000 0.564 1224 H N 1.502 120.593 119.070 0.036 0.000 2.645 1224 H HA 0.348 4.905 4.556 0.001 0.000 0.257 1224 H C 1.173 176.253 175.328 -0.413 0.000 1.269 1224 H CA -0.934 55.057 56.048 -0.095 0.000 1.409 1224 H CB 1.220 30.983 29.762 0.001 0.000 1.434 1224 H HN 0.320 nan 8.280 nan 0.000 0.505 1225 K N 0.729 120.725 120.400 -0.675 0.000 2.360 1225 K HA -0.138 4.183 4.320 0.001 0.000 0.201 1225 K C 0.231 176.358 176.600 -0.788 0.000 1.046 1225 K CA 1.314 56.722 56.287 -1.465 0.000 0.940 1225 K CB 0.305 32.307 32.500 -0.830 0.000 0.748 1225 K HN 0.369 nan 8.250 nan 0.000 0.465 1226 D N 1.764 121.968 120.400 -0.326 0.000 2.309 1226 D HA -0.098 4.543 4.640 0.001 0.000 0.212 1226 D C 1.268 177.555 176.300 -0.023 0.000 0.968 1226 D CA 1.046 54.972 54.000 -0.124 0.000 0.882 1226 D CB 0.142 40.919 40.800 -0.039 0.000 0.918 1226 D HN 0.445 nan 8.370 nan 0.000 0.503 1227 K N -0.251 120.163 120.400 0.023 0.000 2.323 1227 K HA 0.101 4.421 4.320 0.001 0.000 0.197 1227 K C 2.031 178.882 176.600 0.417 0.000 1.043 1227 K CA -0.118 56.331 56.287 0.270 0.000 0.997 1227 K CB 0.130 32.870 32.500 0.401 0.000 0.807 1227 K HN 0.165 nan 8.250 nan 0.000 0.497 1228 F N 1.643 121.657 119.950 0.108 0.000 2.087 1228 F HA -0.206 4.321 4.527 0.001 0.000 0.299 1228 F C -0.623 175.214 175.800 0.062 0.000 1.100 1228 F CA 0.670 58.702 58.000 0.052 0.000 1.226 1228 F CB -1.417 37.600 39.000 0.030 0.000 0.983 1228 F HN 0.042 nan 8.300 nan 0.000 0.479 1229 P HA -0.193 nan 4.420 nan 0.000 0.215 1229 P C 1.416 178.817 177.300 0.167 0.000 1.157 1229 P CA 1.524 64.722 63.100 0.163 0.000 0.874 1229 P CB -0.081 31.683 31.700 0.107 0.000 0.790 1230 K N -0.546 119.994 120.400 0.232 0.000 2.057 1230 K HA -0.066 4.254 4.320 0.001 0.000 0.207 1230 K C 2.092 178.935 176.600 0.406 0.000 1.049 1230 K CA 1.592 58.062 56.287 0.303 0.000 0.931 1230 K CB -1.081 31.632 32.500 0.354 0.000 0.714 1230 K HN 0.043 nan 8.250 nan 0.000 0.440 1231 A N 1.960 124.978 122.820 0.329 0.000 1.892 1231 A HA -0.187 4.134 4.320 0.001 0.000 0.218 1231 A C 2.136 179.731 177.584 0.018 0.000 1.188 1231 A CA 1.486 53.502 52.037 -0.035 0.000 0.631 1231 A CB -0.497 18.366 19.000 -0.229 0.000 0.822 1231 A HN 0.139 nan 8.150 nan 0.000 0.447 1232 I N 0.195 120.794 120.570 0.050 0.000 2.226 1232 I HA -0.226 3.945 4.170 0.001 0.000 0.245 1232 I C 2.322 178.475 176.117 0.059 0.000 1.100 1232 I CA 1.632 62.952 61.300 0.033 0.000 1.374 1232 I CB -1.792 36.233 38.000 0.040 0.000 1.057 1232 I HN 0.492 nan 8.210 nan 0.000 0.413 1233 E N 0.725 120.976 120.200 0.085 0.000 2.118 1233 E HA -0.194 4.157 4.350 0.001 0.000 0.195 1233 E C 2.195 178.861 176.600 0.110 0.000 0.992 1233 E CA 1.041 57.484 56.400 0.073 0.000 0.804 1233 E CB -0.158 29.568 29.700 0.043 0.000 0.741 1233 E HN 0.466 nan 8.360 nan 0.000 0.458 1234 L N -1.097 120.224 121.223 0.163 0.000 2.558 1234 L HA 0.127 4.468 4.340 0.001 0.000 0.225 1234 L C 1.599 178.558 176.870 0.148 0.000 1.128 1234 L CA 0.546 55.514 54.840 0.213 0.000 0.868 1234 L CB 0.436 42.692 42.059 0.328 0.000 1.006 1234 L HN 0.331 nan 8.230 nan 0.000 0.454 1235 G N -1.110 107.740 108.800 0.084 0.000 3.302 1235 G HA2 -0.090 3.870 3.960 0.001 0.000 0.216 1235 G HA3 -0.090 3.870 3.960 0.001 0.000 0.216 1235 G C 0.378 175.277 174.900 -0.001 0.000 1.008 1235 G CA -0.168 44.961 45.100 0.048 0.000 0.852 1235 G HN 0.262 nan 8.290 nan 0.000 0.485 1236 A N 1.206 124.004 122.820 -0.037 0.000 2.531 1236 A HA 0.521 4.842 4.320 0.001 0.000 0.236 1236 A C 1.657 179.206 177.584 -0.057 0.000 1.062 1236 A CA 1.682 53.670 52.037 -0.081 0.000 0.760 1236 A CB 0.257 19.169 19.000 -0.146 0.000 0.995 1236 A HN 1.280 nan 8.150 nan 0.000 0.501 1237 T N -1.093 113.422 114.554 -0.064 0.000 3.065 1237 T HA 0.296 4.647 4.350 0.001 0.000 0.252 1237 T C 0.294 174.957 174.700 -0.062 0.000 1.099 1237 T CA 0.765 62.837 62.100 -0.047 0.000 1.063 1237 T CB -0.488 68.357 68.868 -0.039 0.000 0.948 1237 T HN 0.985 nan 8.240 nan 0.000 0.506 1238 E N -1.293 118.844 120.200 -0.104 0.000 2.403 1238 E HA 0.512 4.862 4.350 0.001 0.000 0.280 1238 E C -1.991 174.461 176.600 -0.247 0.000 1.101 1238 E CA -1.279 55.041 56.400 -0.133 0.000 0.856 1238 E CB 0.629 30.268 29.700 -0.101 0.000 1.303 1238 E HN 0.114 nan 8.360 nan 0.000 0.441 1239 C N 1.116 120.209 119.300 -0.344 0.000 2.712 1239 C HA 0.723 5.184 4.460 0.001 0.000 0.308 1239 C C -0.860 173.789 174.990 -0.569 0.000 1.201 1239 C CA -0.558 58.052 59.018 -0.680 0.000 1.554 1239 C CB 0.873 27.789 27.740 -1.373 0.000 2.117 1239 C HN 0.559 nan 8.230 nan 0.000 0.480 1240 L N 2.316 123.227 121.223 -0.520 0.000 2.381 1240 L HA 0.539 4.880 4.340 0.001 0.000 0.268 1240 L C -0.404 176.472 176.870 0.009 0.000 0.997 1240 L CA -0.325 54.416 54.840 -0.164 0.000 0.818 1240 L CB 1.676 43.639 42.059 -0.159 0.000 1.310 1240 L HN 0.741 nan 8.230 nan 0.000 0.416 1241 N N 2.797 121.664 118.700 0.279 0.000 2.476 1241 N HA 0.311 5.052 4.740 0.001 0.000 0.257 1241 N C -2.096 173.600 175.510 0.309 0.000 0.970 1241 N CA -1.670 51.577 53.050 0.329 0.000 0.938 1241 N CB 2.128 40.825 38.487 0.350 0.000 1.144 1241 N HN 0.270 nan 8.380 nan 0.000 0.500 1242 P HA -0.184 nan 4.420 nan 0.000 0.218 1242 P C 0.195 177.632 177.300 0.229 0.000 1.146 1242 P CA 1.358 64.585 63.100 0.213 0.000 0.820 1242 P CB 0.213 31.999 31.700 0.143 0.000 0.778 1243 K N -0.945 119.550 120.400 0.159 0.000 2.525 1243 K HA -0.028 4.293 4.320 0.001 0.000 0.192 1243 K C 0.408 177.029 176.600 0.034 0.000 1.029 1243 K CA 0.591 56.929 56.287 0.086 0.000 1.029 1243 K CB -0.175 32.351 32.500 0.044 0.000 0.814 1243 K HN 0.187 nan 8.250 nan 0.000 0.503 1244 D N -0.378 120.036 120.400 0.024 0.000 2.368 1244 D HA 0.067 4.707 4.640 0.001 0.000 0.218 1244 D C -0.663 175.269 176.300 -0.613 0.000 1.112 1244 D CA 0.320 54.149 54.000 -0.286 0.000 0.834 1244 D CB 0.330 40.888 40.800 -0.402 0.000 0.953 1244 D HN 0.073 nan 8.370 nan 0.000 0.505 1245 Y N -0.503 119.797 120.300 -0.001 0.000 2.562 1245 Y HA 0.233 4.784 4.550 0.001 0.000 0.345 1245 Y C 0.797 176.686 175.900 -0.019 0.000 1.045 1245 Y CA -1.055 57.038 58.100 -0.013 0.000 1.028 1245 Y CB 1.533 39.980 38.460 -0.023 0.000 1.297 1245 Y HN -0.375 nan 8.280 nan 0.000 0.463 1246 D N 0.304 120.780 120.400 0.127 0.000 2.277 1246 D HA 0.004 4.644 4.640 0.001 0.000 0.209 1246 D C 0.161 176.483 176.300 0.036 0.000 0.970 1246 D CA 0.748 54.784 54.000 0.059 0.000 0.874 1246 D CB 0.340 41.160 40.800 0.033 0.000 0.982 1246 D HN 0.578 nan 8.370 nan 0.000 0.504 1247 K N 1.031 121.453 120.400 0.036 0.000 2.098 1247 K HA 0.474 4.795 4.320 0.001 0.000 0.257 1247 K C -2.687 173.838 176.600 -0.126 0.000 0.999 1247 K CA -1.647 54.612 56.287 -0.046 0.000 0.924 1247 K CB 0.384 32.854 32.500 -0.050 0.000 1.028 1247 K HN -0.300 nan 8.250 nan 0.000 0.466 1248 P HA -0.101 nan 4.420 nan 0.000 0.265 1248 P C 0.682 177.702 177.300 -0.468 0.000 1.187 1248 P CA -0.285 62.525 63.100 -0.482 0.000 0.766 1248 P CB 0.309 31.376 31.700 -1.054 0.000 0.820 1249 I N 3.016 123.419 120.570 -0.278 0.000 2.264 1249 I HA -0.253 3.918 4.170 0.001 0.000 0.248 1249 I C 1.739 177.801 176.117 -0.092 0.000 1.111 1249 I CA 1.954 63.163 61.300 -0.151 0.000 1.382 1249 I CB -0.917 37.113 38.000 0.051 0.000 1.060 1249 I HN 0.445 nan 8.210 nan 0.000 0.418 1250 Y N 0.392 120.716 120.300 0.040 0.000 2.274 1250 Y HA -0.088 4.463 4.550 0.001 0.000 0.290 1250 Y C 2.211 178.112 175.900 0.002 0.000 1.145 1250 Y CA 0.921 59.045 58.100 0.041 0.000 1.203 1250 Y CB -1.351 37.124 38.460 0.025 0.000 0.984 1250 Y HN 0.197 nan 8.280 nan 0.000 0.533 1251 E N 0.684 120.797 120.200 -0.147 0.000 2.107 1251 E HA -0.091 4.260 4.350 0.001 0.000 0.191 1251 E C 2.249 178.801 176.600 -0.080 0.000 0.982 1251 E CA 1.238 57.602 56.400 -0.060 0.000 0.809 1251 E CB -0.113 29.497 29.700 -0.150 0.000 0.756 1251 E HN 0.392 nan 8.360 nan 0.000 0.459 1252 V N 1.517 121.325 119.914 -0.176 0.000 2.427 1252 V HA -0.236 3.884 4.120 0.001 0.000 0.248 1252 V C 2.188 178.188 176.094 -0.157 0.000 1.051 1252 V CA 1.389 63.549 62.300 -0.233 0.000 1.048 1252 V CB -0.340 31.157 31.823 -0.544 0.000 0.666 1252 V HN 0.266 nan 8.190 nan 0.000 0.456 1253 I N -0.773 119.737 120.570 -0.101 0.000 2.286 1253 I HA -0.223 3.948 4.170 0.001 0.000 0.245 1253 I C 2.542 178.659 176.117 0.001 0.000 1.104 1253 I CA 1.295 62.569 61.300 -0.043 0.000 1.397 1253 I CB -0.445 37.572 38.000 0.028 0.000 1.072 1253 I HN 0.345 nan 8.210 nan 0.000 0.417 1254 C N 0.420 119.743 119.300 0.039 0.000 2.446 1254 C HA -0.159 4.301 4.460 0.001 0.000 0.277 1254 C C 2.732 177.736 174.990 0.023 0.000 1.275 1254 C CA 0.837 59.888 59.018 0.054 0.000 1.727 1254 C CB -0.957 26.838 27.740 0.091 0.000 2.010 1254 C HN 0.511 nan 8.230 nan 0.000 0.486 1255 E N 0.623 120.826 120.200 0.005 0.000 2.265 1255 E HA -0.183 4.167 4.350 0.001 0.000 0.196 1255 E C 1.780 178.372 176.600 -0.013 0.000 0.996 1255 E CA 1.010 57.408 56.400 -0.004 0.000 0.832 1255 E CB 0.056 29.747 29.700 -0.015 0.000 0.756 1255 E HN 0.598 nan 8.360 nan 0.000 0.491 1256 K N -0.855 119.530 120.400 -0.025 0.000 2.361 1256 K HA 0.041 4.362 4.320 0.001 0.000 0.194 1256 K C 0.911 177.494 176.600 -0.029 0.000 1.032 1256 K CA 1.001 57.270 56.287 -0.029 0.000 1.048 1256 K CB 0.858 33.330 32.500 -0.047 0.000 0.842 1256 K HN 0.083 nan 8.250 nan 0.000 0.526 1257 T N -1.387 113.152 114.554 -0.025 0.000 3.288 1257 T HA 0.046 4.396 4.350 0.001 0.000 0.293 1257 T C -0.375 174.296 174.700 -0.049 0.000 1.008 1257 T CA -0.456 61.623 62.100 -0.035 0.000 0.929 1257 T CB -0.744 68.108 68.868 -0.027 0.000 1.152 1257 T HN 0.284 nan 8.240 nan 0.000 0.517 1258 N N 0.598 119.277 118.700 -0.035 0.000 2.667 1258 N HA -0.064 4.677 4.740 0.001 0.000 0.263 1258 N C 1.009 176.493 175.510 -0.042 0.000 1.038 1258 N CA 1.122 54.148 53.050 -0.039 0.000 0.749 1258 N CB -1.752 36.696 38.487 -0.064 0.000 0.892 1258 N HN 1.134 nan 8.380 nan 0.000 0.546 1259 G N -2.135 106.687 108.800 0.037 0.000 2.391 1259 G HA2 0.411 4.372 3.960 0.001 0.000 0.204 1259 G HA3 0.411 4.372 3.960 0.001 0.000 0.204 1259 G C 0.802 175.824 174.900 0.204 0.000 1.012 1259 G CA 0.555 45.753 45.100 0.163 0.000 0.651 1259 G HN 2.243 nan 8.290 nan 0.000 0.494 1260 G N -1.634 107.226 108.800 0.100 0.000 2.334 1260 G HA2 0.520 4.481 3.960 0.001 0.000 0.566 1260 G HA3 0.520 4.481 3.960 0.001 0.000 0.566 1260 G C -0.062 174.872 174.900 0.057 0.000 1.413 1260 G CA 0.337 45.498 45.100 0.102 0.000 0.993 1260 G HN 1.860 nan 8.290 nan 0.000 0.642 1261 V N -1.229 118.718 119.914 0.054 0.000 3.133 1261 V HA 0.530 4.651 4.120 0.001 0.000 0.305 1261 V C 1.020 177.106 176.094 -0.014 0.000 1.084 1261 V CA 0.740 63.056 62.300 0.027 0.000 1.089 1261 V CB 1.429 33.289 31.823 0.061 0.000 1.073 1261 V HN 0.695 nan 8.190 nan 0.000 0.477 1262 D N 0.311 120.667 120.400 -0.074 0.000 2.162 1262 D HA 0.053 4.693 4.640 0.001 0.000 0.203 1262 D C -0.199 175.731 176.300 -0.618 0.000 0.967 1262 D CA 1.888 55.690 54.000 -0.330 0.000 0.840 1262 D CB 0.052 40.636 40.800 -0.359 0.000 0.972 1262 D HN 0.727 nan 8.370 nan 0.000 0.482 1263 Y N -0.473 119.839 120.300 0.021 0.000 2.421 1263 Y HA 0.561 5.111 4.550 0.001 0.000 0.339 1263 Y C -0.285 175.638 175.900 0.038 0.000 0.996 1263 Y CA -1.196 56.912 58.100 0.014 0.000 1.046 1263 Y CB 2.165 40.619 38.460 -0.011 0.000 1.226 1263 Y HN -0.213 nan 8.280 nan 0.000 0.445 1264 A N 2.288 125.215 122.820 0.179 0.000 2.371 1264 A HA 0.890 5.211 4.320 0.001 0.000 0.311 1264 A C -1.636 176.029 177.584 0.135 0.000 1.068 1264 A CA -0.773 51.373 52.037 0.182 0.000 0.744 1264 A CB 1.153 20.233 19.000 0.134 0.000 1.239 1264 A HN 0.500 nan 8.150 nan 0.000 0.435 1265 V N 2.208 122.227 119.914 0.174 0.000 2.531 1265 V HA 0.438 4.559 4.120 0.001 0.000 0.301 1265 V C -0.355 175.832 176.094 0.155 0.000 1.034 1265 V CA -0.659 61.708 62.300 0.111 0.000 0.865 1265 V CB 1.693 33.559 31.823 0.072 0.000 0.995 1265 V HN 0.911 nan 8.190 nan 0.000 0.424 1266 E N 2.807 123.047 120.200 0.068 0.000 2.134 1266 E HA 0.355 4.705 4.350 0.001 0.000 0.278 1266 E C -0.983 175.663 176.600 0.076 0.000 0.959 1266 E CA -0.274 56.165 56.400 0.064 0.000 0.783 1266 E CB 1.554 31.228 29.700 -0.044 0.000 1.095 1266 E HN 0.819 nan 8.360 nan 0.000 0.399 1267 C N 3.906 123.273 119.300 0.111 0.000 2.667 1267 C HA 0.617 5.078 4.460 0.001 0.000 0.261 1267 C C 0.931 175.977 174.990 0.093 0.000 1.590 1267 C CA -0.046 59.027 59.018 0.092 0.000 1.668 1267 C CB -0.827 26.970 27.740 0.095 0.000 2.962 1267 C HN 0.690 nan 8.230 nan 0.000 0.525 1268 A N -0.091 122.779 122.820 0.083 0.000 2.150 1268 A HA 0.592 4.913 4.320 0.001 0.000 0.191 1268 A C 1.643 179.265 177.584 0.063 0.000 1.591 1268 A CA 1.001 53.086 52.037 0.081 0.000 1.142 1268 A CB -0.496 18.565 19.000 0.101 0.000 1.326 1268 A HN 1.374 nan 8.150 nan 0.000 0.470 1269 G N -0.252 108.577 108.800 0.048 0.000 2.176 1269 G HA2 -0.245 3.716 3.960 0.001 0.000 0.253 1269 G HA3 -0.245 3.716 3.960 0.001 0.000 0.253 1269 G C 0.242 175.161 174.900 0.033 0.000 0.979 1269 G CA 0.368 45.489 45.100 0.036 0.000 0.641 1269 G HN 0.621 nan 8.290 nan 0.000 0.530 1270 R N 0.233 120.756 120.500 0.038 0.000 2.308 1270 R HA 0.499 4.839 4.340 0.001 0.000 0.305 1270 R C 1.679 177.989 176.300 0.016 0.000 1.053 1270 R CA -0.837 55.285 56.100 0.036 0.000 0.957 1270 R CB 0.646 30.979 30.300 0.055 0.000 1.022 1270 R HN 0.062 nan 8.270 nan 0.000 0.461 1271 I N 2.370 122.947 120.570 0.012 0.000 2.163 1271 I HA -0.308 3.863 4.170 0.001 0.000 0.243 1271 I C 2.346 178.458 176.117 -0.008 0.000 1.085 1271 I CA 1.578 62.876 61.300 -0.004 0.000 1.347 1271 I CB -0.834 37.166 38.000 0.001 0.000 1.044 1271 I HN 0.787 nan 8.210 nan 0.000 0.408 1272 E N 1.078 121.286 120.200 0.014 0.000 2.048 1272 E HA -0.293 4.057 4.350 0.001 0.000 0.202 1272 E C 2.067 178.676 176.600 0.015 0.000 1.021 1272 E CA 2.993 59.409 56.400 0.027 0.000 0.825 1272 E CB -0.001 29.730 29.700 0.051 0.000 0.756 1272 E HN 0.604 nan 8.360 nan 0.000 0.454 1273 T N -1.061 113.503 114.554 0.016 0.000 2.915 1273 T HA -0.096 4.255 4.350 0.001 0.000 0.269 1273 T C 1.985 176.588 174.700 -0.162 0.000 1.071 1273 T CA 1.261 63.351 62.100 -0.017 0.000 1.132 1273 T CB -0.213 68.693 68.868 0.063 0.000 0.878 1273 T HN 0.140 nan 8.240 nan 0.000 0.479 1274 M N 0.118 119.649 119.600 -0.115 0.000 2.132 1274 M HA 0.033 4.514 4.480 0.001 0.000 0.263 1274 M C 2.359 178.547 176.300 -0.186 0.000 1.065 1274 M CA 1.362 56.570 55.300 -0.154 0.000 1.122 1274 M CB -0.394 32.153 32.600 -0.089 0.000 1.365 1274 M HN 0.169 nan 8.290 nan 0.000 0.411 1275 M N 0.093 119.612 119.600 -0.135 0.000 2.132 1275 M HA -0.146 4.335 4.480 0.001 0.000 0.263 1275 M C 1.687 177.870 176.300 -0.195 0.000 1.065 1275 M CA 1.489 56.701 55.300 -0.147 0.000 1.122 1275 M CB -1.646 30.898 32.600 -0.093 0.000 1.365 1275 M HN 0.251 nan 8.290 nan 0.000 0.411 1276 N N 0.896 119.514 118.700 -0.136 0.000 2.120 1276 N HA -0.074 4.667 4.740 0.001 0.000 0.188 1276 N C 1.776 177.108 175.510 -0.297 0.000 1.024 1276 N CA 1.735 54.760 53.050 -0.042 0.000 0.852 1276 N CB -0.378 38.160 38.487 0.086 0.000 1.003 1276 N HN 0.359 nan 8.380 nan 0.000 0.424 1277 A N 1.223 123.625 122.820 -0.697 0.000 1.877 1277 A HA -0.105 4.216 4.320 0.001 0.000 0.216 1277 A C 2.251 179.637 177.584 -0.331 0.000 1.186 1277 A CA 1.062 52.570 52.037 -0.881 0.000 0.620 1277 A CB -0.821 17.648 19.000 -0.885 0.000 0.822 1277 A HN 0.242 nan 8.150 nan 0.000 0.443 1278 L N 0.026 121.090 121.223 -0.265 0.000 2.042 1278 L HA -0.213 4.128 4.340 0.001 0.000 0.210 1278 L C 2.302 179.068 176.870 -0.174 0.000 1.076 1278 L CA 2.400 57.130 54.840 -0.183 0.000 0.749 1278 L CB -0.678 41.277 42.059 -0.174 0.000 0.893 1278 L HN 0.531 nan 8.230 nan 0.000 0.432 1279 Q N -1.457 118.199 119.800 -0.240 0.000 2.472 1279 Q HA -0.015 4.326 4.340 0.001 0.000 0.208 1279 Q C 1.841 177.800 176.000 -0.070 0.000 0.958 1279 Q CA 0.908 56.545 55.803 -0.275 0.000 0.932 1279 Q CB 0.062 28.360 28.738 -0.732 0.000 1.007 1279 Q HN 0.478 nan 8.270 nan 0.000 0.508 1280 S N 0.512 116.227 115.700 0.024 0.000 2.558 1280 S HA -0.016 4.454 4.470 0.001 0.000 0.217 1280 S C 0.879 175.540 174.600 0.101 0.000 0.975 1280 S CA 0.350 58.640 58.200 0.151 0.000 0.912 1280 S CB 0.087 63.473 63.200 0.311 0.000 0.776 1280 S HN 0.494 nan 8.310 nan 0.000 0.526 1281 T N -0.573 114.004 114.554 0.038 0.000 2.922 1281 T HA 0.432 4.783 4.350 0.001 0.000 0.285 1281 T C -0.347 174.387 174.700 0.057 0.000 1.005 1281 T CA -0.727 61.393 62.100 0.033 0.000 1.061 1281 T CB 0.598 69.453 68.868 -0.022 0.000 1.007 1281 T HN 0.140 nan 8.240 nan 0.000 0.502 1282 Y N 2.171 122.429 120.300 -0.070 0.000 2.717 1282 Y HA 0.168 4.719 4.550 0.001 0.000 0.330 1282 Y C 1.769 177.625 175.900 -0.074 0.000 1.217 1282 Y CA -1.483 56.577 58.100 -0.066 0.000 1.506 1282 Y CB -0.060 38.353 38.460 -0.078 0.000 1.268 1282 Y HN 0.994 nan 8.280 nan 0.000 0.561 1283 C N 2.895 121.914 119.300 -0.467 0.000 2.419 1283 C HA 0.053 4.513 4.460 0.001 0.000 0.283 1283 C C 2.389 177.054 174.990 -0.542 0.000 1.373 1283 C CA 0.804 59.564 59.018 -0.430 0.000 1.781 1283 C CB -1.568 25.980 27.740 -0.320 0.000 1.886 1283 C HN 1.006 nan 8.230 nan 0.000 0.520 1284 G N 0.419 108.601 108.800 -1.030 0.000 2.511 1284 G HA2 0.193 4.154 3.960 0.001 0.000 0.217 1284 G HA3 0.193 4.154 3.960 0.001 0.000 0.217 1284 G C 1.277 176.030 174.900 -0.245 0.000 1.133 1284 G CA 1.304 46.047 45.100 -0.596 0.000 0.792 1284 G HN 1.127 nan 8.290 nan 0.000 0.539 1285 S N -1.757 113.841 115.700 -0.170 0.000 2.849 1285 S HA 0.304 4.775 4.470 0.001 0.000 0.226 1285 S C 0.784 175.326 174.600 -0.098 0.000 0.809 1285 S CA 0.134 58.291 58.200 -0.071 0.000 1.324 1285 S CB -0.424 62.778 63.200 0.002 0.000 1.275 1285 S HN 0.571 nan 8.310 nan 0.000 0.585 1286 G N 1.235 109.975 108.800 -0.100 0.000 2.432 1286 G HA2 0.487 4.448 3.960 0.001 0.000 0.239 1286 G HA3 0.487 4.448 3.960 0.001 0.000 0.239 1286 G C -0.491 174.322 174.900 -0.144 0.000 1.291 1286 G CA -0.123 44.899 45.100 -0.130 0.000 0.863 1286 G HN 0.552 nan 8.290 nan 0.000 0.560 1287 V N 2.132 121.936 119.914 -0.184 0.000 2.409 1287 V HA 0.434 4.555 4.120 0.001 0.000 0.291 1287 V C 0.193 176.288 176.094 0.003 0.000 1.020 1287 V CA -0.556 61.705 62.300 -0.066 0.000 0.848 1287 V CB 1.702 33.539 31.823 0.022 0.000 0.990 1287 V HN 0.795 nan 8.190 nan 0.000 0.430 1288 T N 4.596 119.142 114.554 -0.012 0.000 2.797 1288 T HA 0.592 4.943 4.350 0.001 0.000 0.279 1288 T C -0.418 174.276 174.700 -0.009 0.000 0.991 1288 T CA -0.370 61.721 62.100 -0.014 0.000 0.979 1288 T CB 1.685 70.515 68.868 -0.064 0.000 0.943 1288 T HN 0.320 nan 8.240 nan 0.000 0.444 1289 V N 4.454 124.370 119.914 0.004 0.000 2.409 1289 V HA 0.490 4.610 4.120 0.001 0.000 0.291 1289 V C 0.059 176.145 176.094 -0.014 0.000 1.020 1289 V CA -0.858 61.438 62.300 -0.006 0.000 0.848 1289 V CB 1.593 33.416 31.823 0.000 0.000 0.990 1289 V HN 0.805 nan 8.190 nan 0.000 0.430 1290 V N 4.612 124.512 119.914 -0.023 0.000 2.472 1290 V HA 0.606 4.727 4.120 0.001 0.000 0.290 1290 V C 0.153 176.243 176.094 -0.006 0.000 1.037 1290 V CA -0.305 61.983 62.300 -0.020 0.000 0.908 1290 V CB 1.438 33.241 31.823 -0.033 0.000 0.985 1290 V HN 0.715 nan 8.190 nan 0.000 0.454 1291 L N 3.275 124.505 121.223 0.012 0.000 2.993 1291 L HA 0.538 4.879 4.340 0.001 0.000 0.264 1291 L C 1.220 178.112 176.870 0.038 0.000 1.154 1291 L CA 0.541 55.398 54.840 0.030 0.000 0.972 1291 L CB 0.525 42.611 42.059 0.045 0.000 1.373 1291 L HN 0.861 nan 8.230 nan 0.000 0.564 1292 G N 0.503 109.322 108.800 0.030 0.000 2.441 1292 G HA2 0.634 4.595 3.960 0.001 0.000 0.334 1292 G HA3 0.634 4.595 3.960 0.001 0.000 0.334 1292 G C -1.193 173.720 174.900 0.022 0.000 1.161 1292 G CA -0.396 44.724 45.100 0.034 0.000 0.935 1292 G HN -0.138 nan 8.290 nan 0.000 0.488 1293 L N 1.066 122.304 121.223 0.026 0.000 2.295 1293 L HA 0.673 5.014 4.340 0.001 0.000 0.285 1293 L C 0.882 177.768 176.870 0.027 0.000 1.035 1293 L CA -0.540 54.312 54.840 0.020 0.000 0.806 1293 L CB 1.088 43.159 42.059 0.019 0.000 1.214 1293 L HN 0.674 nan 8.230 nan 0.000 0.426 1294 A N 1.632 124.466 122.820 0.022 0.000 2.257 1294 A HA 0.635 4.956 4.320 0.001 0.000 0.290 1294 A C 0.469 178.071 177.584 0.031 0.000 1.201 1294 A CA -0.391 51.663 52.037 0.028 0.000 0.863 1294 A CB 0.429 19.441 19.000 0.020 0.000 1.256 1294 A HN 0.638 nan 8.150 nan 0.000 0.506 1295 S N -0.049 115.673 115.700 0.036 0.000 2.558 1295 S HA 0.114 4.585 4.470 0.001 0.000 0.291 1295 S C -1.373 173.247 174.600 0.032 0.000 1.306 1295 S CA -0.466 57.758 58.200 0.040 0.000 1.056 1295 S CB 0.031 63.256 63.200 0.042 0.000 0.836 1295 S HN 0.400 nan 8.310 nan 0.000 0.504 1296 P HA -0.208 nan 4.420 nan 0.000 0.226 1296 P C 0.162 177.475 177.300 0.023 0.000 1.154 1296 P CA 2.074 65.192 63.100 0.029 0.000 0.901 1296 P CB -0.212 31.509 31.700 0.035 0.000 0.788 1297 N N -2.830 115.884 118.700 0.022 0.000 2.497 1297 N HA 0.134 4.875 4.740 0.001 0.000 0.284 1297 N C -0.434 175.085 175.510 0.014 0.000 1.459 1297 N CA -0.400 52.659 53.050 0.016 0.000 0.899 1297 N CB 0.428 38.925 38.487 0.016 0.000 1.316 1297 N HN 0.103 nan 8.380 nan 0.000 0.500 1298 E N 1.153 121.362 120.200 0.014 0.000 2.319 1298 E HA 0.349 4.699 4.350 0.001 0.000 0.268 1298 E C -0.300 176.303 176.600 0.005 0.000 1.050 1298 E CA -0.512 55.895 56.400 0.012 0.000 0.878 1298 E CB 1.157 30.866 29.700 0.015 0.000 1.066 1298 E HN 0.209 nan 8.360 nan 0.000 0.406 1299 R N 1.334 121.835 120.500 0.001 0.000 2.750 1299 R HA 0.396 4.736 4.340 0.001 0.000 0.281 1299 R C -0.969 175.325 176.300 -0.010 0.000 0.972 1299 R CA -1.218 54.879 56.100 -0.005 0.000 0.912 1299 R CB 1.277 31.574 30.300 -0.005 0.000 1.187 1299 R HN 0.351 nan 8.270 nan 0.000 0.464 1300 L N 4.013 125.226 121.223 -0.018 0.000 2.261 1300 L HA 0.395 4.736 4.340 0.001 0.000 0.289 1300 L C -1.960 174.893 176.870 -0.028 0.000 1.059 1300 L CA -1.548 53.276 54.840 -0.026 0.000 0.816 1300 L CB 0.966 43.004 42.059 -0.036 0.000 1.191 1300 L HN 0.368 nan 8.230 nan 0.000 0.431 1301 P HA 0.131 nan 4.420 nan 0.000 0.241 1301 P C -0.861 176.416 177.300 -0.039 0.000 1.760 1301 P CA -0.342 62.741 63.100 -0.027 0.000 1.081 1301 P CB -0.072 31.616 31.700 -0.020 0.000 1.975 1302 L N 2.279 123.476 121.223 -0.043 0.000 2.360 1302 L HA 0.260 4.600 4.340 0.001 0.000 0.276 1302 L C 0.072 176.912 176.870 -0.051 0.000 1.121 1302 L CA -0.225 54.583 54.840 -0.054 0.000 0.845 1302 L CB 0.265 42.291 42.059 -0.055 0.000 1.143 1302 L HN 0.069 nan 8.230 nan 0.000 0.452 1303 D N 6.448 126.812 120.400 -0.060 0.000 2.313 1303 D HA 0.318 4.958 4.640 0.001 0.000 0.239 1303 D C -1.823 174.442 176.300 -0.058 0.000 1.142 1303 D CA -1.968 52.000 54.000 -0.054 0.000 0.847 1303 D CB 1.644 42.410 40.800 -0.057 0.000 1.082 1303 D HN 0.354 nan 8.370 nan 0.000 0.480 1304 P HA -0.201 nan 4.420 nan 0.000 0.218 1304 P C 1.678 178.945 177.300 -0.056 0.000 1.154 1304 P CA 0.767 63.837 63.100 -0.049 0.000 0.872 1304 P CB 0.098 31.774 31.700 -0.040 0.000 0.790 1305 L N -1.044 120.146 121.223 -0.056 0.000 2.129 1305 L HA -0.208 4.133 4.340 0.001 0.000 0.212 1305 L C 2.016 178.840 176.870 -0.076 0.000 1.087 1305 L CA 1.494 56.297 54.840 -0.061 0.000 0.757 1305 L CB -0.592 41.434 42.059 -0.055 0.000 0.896 1305 L HN -0.037 nan 8.230 nan 0.000 0.434 1306 L N -0.769 120.403 121.223 -0.085 0.000 2.265 1306 L HA -0.224 4.117 4.340 0.001 0.000 0.215 1306 L C 2.140 178.947 176.870 -0.104 0.000 1.117 1306 L CA 0.916 55.693 54.840 -0.105 0.000 0.782 1306 L CB -0.311 41.676 42.059 -0.119 0.000 0.914 1306 L HN 0.383 nan 8.230 nan 0.000 0.441 1307 L N -1.675 119.494 121.223 -0.089 0.000 2.425 1307 L HA 0.003 4.344 4.340 0.001 0.000 0.215 1307 L C 2.245 179.066 176.870 -0.081 0.000 1.065 1307 L CA 0.079 54.868 54.840 -0.085 0.000 0.842 1307 L CB -0.174 41.843 42.059 -0.071 0.000 1.033 1307 L HN 0.143 nan 8.230 nan 0.000 0.474 1308 L N 0.574 121.753 121.223 -0.074 0.000 2.189 1308 L HA -0.211 4.130 4.340 0.001 0.000 0.214 1308 L C 2.614 179.438 176.870 -0.077 0.000 1.097 1308 L CA 1.957 56.757 54.840 -0.067 0.000 0.764 1308 L CB -0.788 41.237 42.059 -0.058 0.000 0.900 1308 L HN 0.476 nan 8.230 nan 0.000 0.436 1309 T N -4.299 110.196 114.554 -0.098 0.000 3.088 1309 T HA 0.185 4.536 4.350 0.001 0.000 0.259 1309 T C 1.300 175.920 174.700 -0.133 0.000 1.122 1309 T CA 0.640 62.669 62.100 -0.119 0.000 1.095 1309 T CB 0.539 69.315 68.868 -0.153 0.000 0.930 1309 T HN 0.467 nan 8.240 nan 0.000 0.508 1310 G N 0.706 109.434 108.800 -0.119 0.000 2.456 1310 G HA2 -0.050 3.910 3.960 0.001 0.000 0.208 1310 G HA3 -0.050 3.910 3.960 0.001 0.000 0.208 1310 G C 0.009 174.843 174.900 -0.111 0.000 1.004 1310 G CA -0.857 44.176 45.100 -0.111 0.000 0.791 1310 G HN 0.500 nan 8.290 nan 0.000 0.537 1311 R N 0.430 120.861 120.500 -0.114 0.000 2.528 1311 R HA 0.717 5.058 4.340 0.001 0.000 0.271 1311 R C -0.410 175.843 176.300 -0.080 0.000 1.056 1311 R CA -0.052 55.986 56.100 -0.105 0.000 1.117 1311 R CB 1.211 31.444 30.300 -0.112 0.000 1.085 1311 R HN 0.169 nan 8.270 nan 0.000 0.530 1312 S N 1.221 116.879 115.700 -0.071 0.000 2.526 1312 S HA 0.456 4.926 4.470 0.001 0.000 0.293 1312 S C -1.477 173.093 174.600 -0.051 0.000 1.092 1312 S CA -0.717 57.452 58.200 -0.053 0.000 0.980 1312 S CB 1.748 64.926 63.200 -0.037 0.000 1.048 1312 S HN 0.315 nan 8.310 nan 0.000 0.483 1313 L N 3.407 124.601 121.223 -0.048 0.000 2.372 1313 L HA 0.637 4.978 4.340 0.001 0.000 0.274 1313 L C -1.121 175.725 176.870 -0.040 0.000 0.988 1313 L CA -0.073 54.738 54.840 -0.049 0.000 0.833 1313 L CB 0.735 42.760 42.059 -0.058 0.000 1.236 1313 L HN 0.619 nan 8.230 nan 0.000 0.410 1314 K N 2.957 123.337 120.400 -0.034 0.000 2.400 1314 K HA 0.961 5.282 4.320 0.001 0.000 0.246 1314 K C -0.585 175.992 176.600 -0.038 0.000 0.995 1314 K CA -0.884 55.382 56.287 -0.034 0.000 0.840 1314 K CB 2.173 34.657 32.500 -0.026 0.000 1.293 1314 K HN 0.694 nan 8.250 nan 0.000 0.445 1315 G N -0.292 108.480 108.800 -0.047 0.000 2.672 1315 G HA2 0.654 4.615 3.960 0.001 0.000 0.292 1315 G HA3 0.654 4.615 3.960 0.001 0.000 0.292 1315 G C -1.303 173.561 174.900 -0.059 0.000 1.375 1315 G CA -0.624 44.446 45.100 -0.050 0.000 0.890 1315 G HN 0.615 nan 8.290 nan 0.000 0.476 1316 S N -1.735 113.936 115.700 -0.048 0.000 2.615 1316 S HA 0.736 5.207 4.470 0.001 0.000 0.268 1316 S C -1.617 172.991 174.600 0.013 0.000 1.146 1316 S CA -0.665 57.510 58.200 -0.040 0.000 0.818 1316 S CB 1.616 64.796 63.200 -0.034 0.000 1.111 1316 S HN 1.096 nan 8.310 nan 0.000 0.465 1317 V N 1.736 121.689 119.914 0.065 0.000 2.769 1317 V HA 0.653 4.774 4.120 0.001 0.000 0.312 1317 V C 0.217 176.512 176.094 0.336 0.000 1.061 1317 V CA -0.487 61.941 62.300 0.214 0.000 0.931 1317 V CB 1.128 33.088 31.823 0.229 0.000 1.010 1317 V HN 1.321 nan 8.190 nan 0.000 0.433 1318 F N 3.168 123.275 119.950 0.261 0.000 3.100 1318 F HA -0.289 4.239 4.527 0.002 0.000 0.284 1318 F C 1.455 177.389 175.800 0.222 0.000 0.875 1318 F CA 1.040 59.179 58.000 0.232 0.000 1.039 1318 F CB -0.585 38.404 39.000 -0.018 0.000 1.111 1318 F HN 1.093 nan 8.300 nan 0.000 0.575 1319 G N 0.174 109.045 108.800 0.119 0.000 2.203 1319 G HA2 0.010 3.971 3.960 0.001 0.000 0.263 1319 G HA3 0.010 3.971 3.960 0.001 0.000 0.263 1319 G C 1.661 176.432 174.900 -0.214 0.000 1.012 1319 G CA 1.006 46.080 45.100 -0.043 0.000 0.749 1319 G HN 2.186 nan 8.290 nan 0.000 0.512 1320 G N -2.153 106.601 108.800 -0.077 0.000 2.184 1320 G HA2 -0.267 3.694 3.960 0.001 0.000 0.264 1320 G HA3 -0.267 3.694 3.960 0.001 0.000 0.264 1320 G C 0.447 175.272 174.900 -0.125 0.000 0.975 1320 G CA 0.548 45.577 45.100 -0.119 0.000 0.642 1320 G HN 1.171 nan 8.290 nan 0.000 0.536 1321 F N 0.665 120.609 119.950 -0.010 0.000 2.418 1321 F HA 0.582 5.110 4.527 0.001 0.000 0.341 1321 F C 1.013 176.922 175.800 0.181 0.000 1.120 1321 F CA -0.273 57.729 58.000 0.004 0.000 1.232 1321 F CB 0.868 39.737 39.000 -0.218 0.000 1.175 1321 F HN -0.124 nan 8.300 nan 0.000 0.569 1322 K N 0.680 121.304 120.400 0.373 0.000 2.098 1322 K HA 0.340 4.660 4.320 0.001 0.000 0.258 1322 K C 1.056 177.820 176.600 0.274 0.000 0.973 1322 K CA -0.093 56.350 56.287 0.259 0.000 0.898 1322 K CB 1.045 33.639 32.500 0.157 0.000 1.057 1322 K HN 0.636 nan 8.250 nan 0.000 0.447 1323 G N 1.253 110.157 108.800 0.173 0.000 2.450 1323 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 1323 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 1323 G C 0.834 175.795 174.900 0.102 0.000 1.130 1323 G CA 1.064 46.239 45.100 0.125 0.000 0.760 1323 G HN 0.823 nan 8.290 nan 0.000 0.557 1324 E N 0.389 120.642 120.200 0.089 0.000 2.409 1324 E HA -0.036 4.315 4.350 0.001 0.000 0.198 1324 E C 1.565 178.209 176.600 0.074 0.000 1.024 1324 E CA 0.903 57.343 56.400 0.067 0.000 0.861 1324 E CB -0.142 29.593 29.700 0.057 0.000 0.788 1324 E HN 0.569 nan 8.360 nan 0.000 0.521 1325 E N 0.706 120.970 120.200 0.106 0.000 2.474 1325 E HA 0.029 4.379 4.350 0.001 0.000 0.195 1325 E C 1.740 178.324 176.600 -0.026 0.000 1.039 1325 E CA 0.043 56.495 56.400 0.086 0.000 0.881 1325 E CB 0.621 30.452 29.700 0.219 0.000 0.970 1325 E HN 0.087 nan 8.360 nan 0.000 0.486 1326 V N 0.979 120.891 119.914 -0.003 0.000 2.343 1326 V HA -0.267 3.854 4.120 0.001 0.000 0.247 1326 V C 2.410 178.472 176.094 -0.054 0.000 1.051 1326 V CA 2.025 64.297 62.300 -0.048 0.000 1.036 1326 V CB -0.376 31.488 31.823 0.069 0.000 0.654 1326 V HN 0.276 nan 8.190 nan 0.000 0.451 1327 S N -0.646 115.044 115.700 -0.017 0.000 2.382 1327 S HA -0.217 4.253 4.470 0.001 0.000 0.228 1327 S C 2.238 176.820 174.600 -0.031 0.000 1.027 1327 S CA 1.252 59.441 58.200 -0.018 0.000 0.991 1327 S CB -0.279 62.919 63.200 -0.003 0.000 0.823 1327 S HN 0.382 nan 8.310 nan 0.000 0.469 1328 R N 0.861 121.344 120.500 -0.029 0.000 2.092 1328 R HA 0.097 4.438 4.340 0.001 0.000 0.231 1328 R C 2.253 178.521 176.300 -0.053 0.000 1.119 1328 R CA 0.975 57.060 56.100 -0.024 0.000 0.970 1328 R CB -1.149 29.156 30.300 0.008 0.000 0.864 1328 R HN 0.471 nan 8.270 nan 0.000 0.440 1329 L N -0.013 121.141 121.223 -0.115 0.000 2.046 1329 L HA -0.165 4.175 4.340 0.001 0.000 0.208 1329 L C 2.360 179.158 176.870 -0.119 0.000 1.077 1329 L CA 1.004 55.743 54.840 -0.167 0.000 0.747 1329 L CB -0.387 41.490 42.059 -0.302 0.000 0.896 1329 L HN -0.040 nan 8.230 nan 0.000 0.432 1330 V N -0.421 119.446 119.914 -0.080 0.000 2.407 1330 V HA -0.275 3.846 4.120 0.001 0.000 0.248 1330 V C 2.075 178.159 176.094 -0.018 0.000 1.055 1330 V CA 1.711 64.002 62.300 -0.016 0.000 1.049 1330 V CB -0.515 31.301 31.823 -0.012 0.000 0.662 1330 V HN 0.435 nan 8.190 nan 0.000 0.455 1331 D N 0.199 120.575 120.400 -0.040 0.000 2.097 1331 D HA -0.154 4.487 4.640 0.001 0.000 0.195 1331 D C 1.913 178.180 176.300 -0.055 0.000 0.989 1331 D CA 1.440 55.410 54.000 -0.050 0.000 0.827 1331 D CB -0.359 40.420 40.800 -0.035 0.000 0.966 1331 D HN 0.407 nan 8.370 nan 0.000 0.456 1332 D N -0.317 120.059 120.400 -0.040 0.000 2.178 1332 D HA -0.175 4.466 4.640 0.001 0.000 0.201 1332 D C 1.914 178.192 176.300 -0.036 0.000 0.980 1332 D CA 0.567 54.546 54.000 -0.035 0.000 0.842 1332 D CB -0.347 40.437 40.800 -0.026 0.000 0.948 1332 D HN 0.294 nan 8.370 nan 0.000 0.472 1333 Y N 1.033 121.209 120.300 -0.206 0.000 2.200 1333 Y HA -0.049 4.502 4.550 0.001 0.000 0.290 1333 Y C 2.124 177.902 175.900 -0.202 0.000 1.137 1333 Y CA 1.183 59.126 58.100 -0.262 0.000 1.163 1333 Y CB -0.447 37.810 38.460 -0.338 0.000 0.988 1333 Y HN -0.137 nan 8.280 nan 0.000 0.518 1334 M N -0.132 119.238 119.600 -0.383 0.000 2.476 1334 M HA -0.115 4.366 4.480 0.001 0.000 0.262 1334 M C 1.506 177.654 176.300 -0.254 0.000 1.079 1334 M CA 1.376 56.418 55.300 -0.430 0.000 1.104 1334 M CB -0.076 32.349 32.600 -0.292 0.000 1.409 1334 M HN 0.099 nan 8.290 nan 0.000 0.467 1335 K N 0.258 120.559 120.400 -0.165 0.000 2.404 1335 K HA 0.077 4.398 4.320 0.001 0.000 0.194 1335 K C 0.224 176.768 176.600 -0.094 0.000 1.023 1335 K CA 0.173 56.397 56.287 -0.105 0.000 1.094 1335 K CB 0.289 32.751 32.500 -0.064 0.000 0.841 1335 K HN 0.173 nan 8.250 nan 0.000 0.523 1336 K N -0.397 119.927 120.400 -0.126 0.000 3.391 1336 K HA -0.227 4.093 4.320 0.001 0.000 0.307 1336 K C 0.352 176.924 176.600 -0.048 0.000 1.304 1336 K CA 0.788 57.016 56.287 -0.099 0.000 0.904 1336 K CB -1.128 31.322 32.500 -0.083 0.000 1.293 1336 K HN 0.143 nan 8.250 nan 0.000 0.470 1337 K N 0.603 120.985 120.400 -0.030 0.000 2.217 1337 K HA 0.023 4.344 4.320 0.001 0.000 0.202 1337 K C 1.060 177.669 176.600 0.014 0.000 1.051 1337 K CA 1.281 57.572 56.287 0.006 0.000 0.952 1337 K CB -0.021 32.489 32.500 0.017 0.000 0.736 1337 K HN 0.443 nan 8.250 nan 0.000 0.453 1338 I N -1.325 119.227 120.570 -0.029 0.000 2.534 1338 I HA 0.309 4.480 4.170 0.001 0.000 0.288 1338 I C -1.299 174.730 176.117 -0.146 0.000 1.077 1338 I CA -0.985 60.270 61.300 -0.075 0.000 1.051 1338 I CB 1.829 39.720 38.000 -0.181 0.000 1.234 1338 I HN -0.176 nan 8.210 nan 0.000 0.425 1339 N N 5.293 123.845 118.700 -0.247 0.000 3.229 1339 N HA 0.173 4.913 4.740 0.001 0.000 0.275 1339 N C 1.196 176.382 175.510 -0.541 0.000 1.225 1339 N CA -0.204 52.540 53.050 -0.511 0.000 1.119 1339 N CB 1.799 39.542 38.487 -1.239 0.000 1.392 1339 N HN 0.575 nan 8.380 nan 0.000 0.520 1340 V N 1.407 120.859 119.914 -0.769 0.000 2.332 1340 V HA -0.311 3.810 4.120 0.001 0.000 0.248 1340 V C 2.305 178.114 176.094 -0.475 0.000 1.055 1340 V CA 1.708 63.470 62.300 -0.896 0.000 1.038 1340 V CB -0.400 30.497 31.823 -1.544 0.000 0.651 1340 V HN 0.655 nan 8.190 nan 0.000 0.450 1341 N N 0.148 118.627 118.700 -0.368 0.000 2.348 1341 N HA -0.234 4.507 4.740 0.001 0.000 0.185 1341 N C 1.591 177.163 175.510 0.102 0.000 1.019 1341 N CA 1.553 54.554 53.050 -0.082 0.000 0.880 1341 N CB -0.600 37.921 38.487 0.058 0.000 0.965 1341 N HN 0.412 nan 8.380 nan 0.000 0.437 1342 F N 1.189 121.113 119.950 -0.043 0.000 2.451 1342 F HA 0.136 4.664 4.527 0.001 0.000 0.299 1342 F C 2.113 177.875 175.800 -0.063 0.000 1.101 1342 F CA -0.028 57.958 58.000 -0.024 0.000 1.436 1342 F CB -0.487 38.525 39.000 0.020 0.000 1.074 1342 F HN 0.020 nan 8.300 nan 0.000 0.553 1343 L N -0.828 120.453 121.223 0.096 0.000 2.492 1343 L HA 0.036 4.377 4.340 0.001 0.000 0.223 1343 L C 0.427 177.249 176.870 -0.080 0.000 1.132 1343 L CA 0.114 54.933 54.840 -0.035 0.000 0.850 1343 L CB -0.389 41.675 42.059 0.008 0.000 0.966 1343 L HN -0.271 nan 8.230 nan 0.000 0.454 1344 V N 1.093 120.986 119.914 -0.036 0.000 2.387 1344 V HA 0.013 4.134 4.120 0.001 0.000 0.260 1344 V C 1.232 177.301 176.094 -0.042 0.000 1.054 1344 V CA 0.462 62.736 62.300 -0.044 0.000 0.967 1344 V CB 1.009 32.816 31.823 -0.027 0.000 1.036 1344 V HN 0.368 nan 8.190 nan 0.000 0.481 1345 S N 2.241 117.901 115.700 -0.067 0.000 2.539 1345 S HA 0.223 4.694 4.470 0.001 0.000 0.221 1345 S C 0.530 175.103 174.600 -0.044 0.000 0.987 1345 S CA -0.238 57.924 58.200 -0.063 0.000 0.929 1345 S CB 0.447 63.590 63.200 -0.094 0.000 0.832 1345 S HN 0.628 nan 8.310 nan 0.000 0.492 1346 T N 1.743 116.273 114.554 -0.040 0.000 3.041 1346 T HA 0.425 4.776 4.350 0.001 0.000 0.321 1346 T C -1.576 173.110 174.700 -0.024 0.000 1.184 1346 T CA -0.766 61.317 62.100 -0.029 0.000 1.050 1346 T CB 2.047 70.896 68.868 -0.031 0.000 1.159 1346 T HN 0.091 nan 8.240 nan 0.000 0.469 1347 K N 2.821 123.213 120.400 -0.013 0.000 2.376 1347 K HA 0.788 5.109 4.320 0.001 0.000 0.257 1347 K C -0.933 175.668 176.600 0.002 0.000 0.939 1347 K CA -0.688 55.595 56.287 -0.007 0.000 0.809 1347 K CB 1.849 34.348 32.500 -0.003 0.000 1.121 1347 K HN 0.387 nan 8.250 nan 0.000 0.425 1348 L N 0.313 121.541 121.223 0.009 0.000 2.194 1348 L HA 0.560 4.901 4.340 0.001 0.000 0.248 1348 L C 0.213 177.108 176.870 0.042 0.000 1.071 1348 L CA -0.985 53.866 54.840 0.018 0.000 0.901 1348 L CB 2.071 44.136 42.059 0.011 0.000 1.497 1348 L HN 0.683 nan 8.230 nan 0.000 0.442 1349 T N -2.533 112.045 114.554 0.040 0.000 2.949 1349 T HA 0.349 4.700 4.350 0.001 0.000 0.287 1349 T C 0.524 175.247 174.700 0.038 0.000 1.034 1349 T CA -0.672 61.463 62.100 0.058 0.000 1.018 1349 T CB 1.440 70.325 68.868 0.028 0.000 1.135 1349 T HN 0.403 nan 8.240 nan 0.000 0.532 1350 L N 0.748 121.972 121.223 0.002 0.000 2.079 1350 L HA -0.061 4.279 4.340 0.001 0.000 0.210 1350 L C 1.922 178.743 176.870 -0.082 0.000 1.081 1350 L CA 1.949 56.734 54.840 -0.091 0.000 0.752 1350 L CB -1.118 40.751 42.059 -0.316 0.000 0.896 1350 L HN 0.724 nan 8.230 nan 0.000 0.433 1351 D N -0.808 119.556 120.400 -0.060 0.000 2.218 1351 D HA -0.198 4.443 4.640 0.001 0.000 0.204 1351 D C 1.648 177.930 176.300 -0.029 0.000 0.976 1351 D CA 1.090 55.063 54.000 -0.044 0.000 0.853 1351 D CB 0.016 40.798 40.800 -0.029 0.000 0.939 1351 D HN 0.597 nan 8.370 nan 0.000 0.481 1352 Q N 0.136 119.925 119.800 -0.019 0.000 2.280 1352 Q HA 0.172 4.513 4.340 0.001 0.000 0.202 1352 Q C 1.971 177.971 176.000 0.000 0.000 0.903 1352 Q CA -0.350 55.450 55.803 -0.005 0.000 0.948 1352 Q CB 0.620 29.361 28.738 0.004 0.000 1.058 1352 Q HN 0.285 nan 8.270 nan 0.000 0.493 1353 I N 1.165 121.720 120.570 -0.026 0.000 2.236 1353 I HA -0.394 3.777 4.170 0.001 0.000 0.249 1353 I C 1.493 177.672 176.117 0.104 0.000 1.102 1353 I CA 1.238 62.526 61.300 -0.022 0.000 1.365 1353 I CB 0.118 38.026 38.000 -0.153 0.000 1.051 1353 I HN 0.316 nan 8.210 nan 0.000 0.420 1354 N N 0.863 119.584 118.700 0.036 0.000 2.381 1354 N HA -0.219 4.522 4.740 0.001 0.000 0.182 1354 N C 1.745 177.339 175.510 0.140 0.000 1.025 1354 N CA 0.970 54.058 53.050 0.063 0.000 0.888 1354 N CB -0.222 38.252 38.487 -0.022 0.000 0.965 1354 N HN 0.354 nan 8.380 nan 0.000 0.438 1355 K N 1.696 122.150 120.400 0.090 0.000 2.097 1355 K HA 0.063 4.383 4.320 0.001 0.000 0.205 1355 K C 1.766 178.413 176.600 0.079 0.000 1.050 1355 K CA 1.173 57.502 56.287 0.071 0.000 0.938 1355 K CB -0.419 32.102 32.500 0.036 0.000 0.718 1355 K HN 0.052 nan 8.250 nan 0.000 0.442 1356 A N -0.290 122.579 122.820 0.081 0.000 1.933 1356 A HA -0.046 4.275 4.320 0.001 0.000 0.218 1356 A C 1.975 179.539 177.584 -0.034 0.000 1.175 1356 A CA 1.314 53.347 52.037 -0.006 0.000 0.628 1356 A CB -0.788 18.166 19.000 -0.076 0.000 0.814 1356 A HN 0.345 nan 8.150 nan 0.000 0.444 1357 F N 0.169 120.110 119.950 -0.015 0.000 2.234 1357 F HA -0.058 4.470 4.527 0.002 0.000 0.299 1357 F C 2.352 178.163 175.800 0.019 0.000 1.087 1357 F CA 1.514 59.522 58.000 0.013 0.000 1.340 1357 F CB -0.355 38.658 39.000 0.021 0.000 1.031 1357 F HN 0.302 nan 8.300 nan 0.000 0.500 1358 E N 0.316 120.627 120.200 0.184 0.000 2.077 1358 E HA -0.187 4.164 4.350 0.001 0.000 0.193 1358 E C 2.289 178.928 176.600 0.065 0.000 0.989 1358 E CA 1.136 57.603 56.400 0.111 0.000 0.800 1358 E CB -0.324 29.426 29.700 0.084 0.000 0.746 1358 E HN 0.365 nan 8.360 nan 0.000 0.452 1359 L N 0.579 121.823 121.223 0.036 0.000 2.046 1359 L HA -0.216 4.125 4.340 0.001 0.000 0.208 1359 L C 2.407 179.270 176.870 -0.011 0.000 1.077 1359 L CA 0.940 55.783 54.840 0.005 0.000 0.747 1359 L CB -0.406 41.643 42.059 -0.017 0.000 0.896 1359 L HN 0.192 nan 8.230 nan 0.000 0.432 1360 L N -1.322 119.886 121.223 -0.025 0.000 2.044 1360 L HA -0.167 4.174 4.340 0.001 0.000 0.205 1360 L C 2.791 179.665 176.870 0.007 0.000 1.075 1360 L CA 1.083 55.902 54.840 -0.035 0.000 0.747 1360 L CB -0.625 41.387 42.059 -0.078 0.000 0.903 1360 L HN 0.175 nan 8.230 nan 0.000 0.435 1361 S N -0.263 115.466 115.700 0.050 0.000 2.420 1361 S HA -0.173 4.298 4.470 0.001 0.000 0.237 1361 S C 1.795 176.436 174.600 0.068 0.000 1.023 1361 S CA 1.695 59.942 58.200 0.077 0.000 0.991 1361 S CB -0.152 63.112 63.200 0.107 0.000 0.792 1361 S HN 0.600 nan 8.310 nan 0.000 0.488 1362 S N -0.861 114.871 115.700 0.053 0.000 2.650 1362 S HA 0.461 4.932 4.470 0.001 0.000 0.240 1362 S C 0.966 175.590 174.600 0.041 0.000 1.007 1362 S CA 0.421 58.665 58.200 0.073 0.000 0.984 1362 S CB 0.169 63.413 63.200 0.073 0.000 0.910 1362 S HN 0.905 nan 8.310 nan 0.000 0.509 1363 G N 2.449 111.215 108.800 -0.055 0.000 2.386 1363 G HA2 -0.265 3.696 3.960 0.001 0.000 0.295 1363 G HA3 -0.265 3.696 3.960 0.001 0.000 0.295 1363 G C 0.699 175.509 174.900 -0.151 0.000 0.979 1363 G CA 0.599 45.570 45.100 -0.215 0.000 1.193 1363 G HN 0.471 nan 8.290 nan 0.000 0.508 1364 Q N -0.177 119.595 119.800 -0.046 0.000 1.946 1364 Q HA 0.136 4.477 4.340 0.001 0.000 0.199 1364 Q C 2.003 177.991 176.000 -0.019 0.000 0.979 1364 Q CA 1.829 57.628 55.803 -0.006 0.000 0.834 1364 Q CB -0.477 28.261 28.738 -0.001 0.000 0.899 1364 Q HN 0.732 nan 8.270 nan 0.000 0.431 1365 G N -0.727 108.047 108.800 -0.043 0.000 3.175 1365 G HA2 0.438 4.398 3.960 0.001 0.000 0.153 1365 G HA3 0.438 4.398 3.960 0.001 0.000 0.153 1365 G C 0.745 175.581 174.900 -0.106 0.000 1.216 1365 G CA 0.054 45.114 45.100 -0.067 0.000 0.943 1365 G HN 0.095 nan 8.290 nan 0.000 0.611 1366 V N -0.274 119.530 119.914 -0.183 0.000 2.693 1366 V HA 0.395 4.516 4.120 0.001 0.000 0.223 1366 V C 0.701 176.713 176.094 -0.137 0.000 1.131 1366 V CA 0.895 63.048 62.300 -0.246 0.000 1.177 1366 V CB -0.106 31.418 31.823 -0.498 0.000 0.852 1366 V HN 0.531 nan 8.190 nan 0.000 0.507 1367 R N 0.096 120.519 120.500 -0.129 0.000 2.686 1367 R HA 0.592 4.933 4.340 0.001 0.000 0.283 1367 R C -1.220 175.032 176.300 -0.081 0.000 0.978 1367 R CA -0.033 56.013 56.100 -0.089 0.000 0.897 1367 R CB 2.055 32.315 30.300 -0.067 0.000 1.192 1367 R HN 0.403 nan 8.270 nan 0.000 0.457 1368 S N 3.922 119.575 115.700 -0.078 0.000 2.537 1368 S HA 0.700 5.170 4.470 0.001 0.000 0.301 1368 S C -0.454 174.112 174.600 -0.057 0.000 1.092 1368 S CA -0.713 57.448 58.200 -0.064 0.000 1.048 1368 S CB 0.800 63.960 63.200 -0.068 0.000 1.053 1368 S HN 0.584 nan 8.310 nan 0.000 0.501 1369 I N -0.919 119.625 120.570 -0.043 0.000 2.828 1369 I HA 0.668 4.839 4.170 0.001 0.000 0.302 1369 I C -1.207 174.898 176.117 -0.021 0.000 1.101 1369 I CA -1.228 60.049 61.300 -0.039 0.000 1.031 1369 I CB 1.899 39.869 38.000 -0.051 0.000 1.231 1369 I HN 0.466 nan 8.210 nan 0.000 0.427 1370 M N 4.912 124.504 119.600 -0.013 0.000 2.436 1370 M HA 0.546 5.027 4.480 0.001 0.000 0.331 1370 M C -1.036 175.262 176.300 -0.004 0.000 1.135 1370 M CA -0.788 54.542 55.300 0.051 0.000 0.987 1370 M CB 2.323 35.038 32.600 0.192 0.000 1.687 1370 M HN 0.375 nan 8.290 nan 0.000 0.445 1371 I N 3.007 123.619 120.570 0.069 0.000 2.339 1371 I HA 0.359 4.530 4.170 0.001 0.000 0.290 1371 I C -0.302 175.953 176.117 0.230 0.000 0.994 1371 I CA -0.555 60.770 61.300 0.041 0.000 1.191 1371 I CB 0.349 38.366 38.000 0.029 0.000 1.343 1371 I HN 0.707 nan 8.210 nan 0.000 0.458 1372 Y N 0.000 120.290 120.300 -0.017 0.000 2.660 1372 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 1372 Y CA 0.000 58.088 58.100 -0.020 0.000 1.940 1372 Y CB 0.000 38.438 38.460 -0.037 0.000 1.050 1372 Y HN 0.000 nan 8.280 nan 0.000 0.758