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 1vft_1_B DATA FIRST_RESID 1005 DATA SEQUENCE PTRVYAEIDL DAVRANVRAL RARAPRSALM AVVKSNAYGH GAVPCARAAQ DATA SEQUENCE EAGAAWLGTA TPEEALELRA AGIQGRIMCW LWTPGGPWRE AIETDIDVSV DATA SEQUENCE SGMWALDEVR AAARAAGRTA RIQLXADTGL GRNGCQPADW AELVGAAVAA DATA SEQUENCE QAEGTVQVTG VWSHFACADE PGHPSIRLQL DAFRDMLAYA EKEGVDPEVR DATA SEQUENCE HIANSPATLT LPETHFDLVR TGLAVYGVSP SPELGTPAQL GLRPAMTLRA DATA SEQUENCE SLALVKTVPA GHGVSYGHHY VTESETHLAL VPAGYADGIP RNASGRGPVL DATA SEQUENCE VAGKIRRAAG RIAMDQFVVD LGEDLAEAGD EAVILGDAER GEPTAEDWAQ DATA SEQUENCE AAHTIAYEIV TRIGGRVPRV YLGGLEHHHH 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 1005 P HA 0.000 nan 4.420 nan 0.000 0.216 1005 P C 0.000 177.309 177.300 0.014 0.000 1.155 1005 P CA 0.000 63.065 63.100 -0.058 0.000 0.800 1005 P CB 0.000 31.700 31.700 0.000 0.000 0.726 1006 T N -2.974 111.613 114.554 0.054 0.000 2.966 1006 T HA 0.168 4.560 4.350 0.069 0.000 0.254 1006 T C 1.346 176.082 174.700 0.060 0.000 0.961 1006 T CA 0.053 62.187 62.100 0.056 0.000 0.915 1006 T CB 0.774 69.653 68.868 0.017 0.000 1.186 1006 T HN 0.383 nan 8.240 nan 0.000 0.505 1007 R N 0.641 121.172 120.500 0.053 0.000 2.062 1007 R HA 0.492 4.874 4.340 0.069 0.000 0.218 1007 R C -0.263 176.042 176.300 0.009 0.000 1.161 1007 R CA 0.687 56.798 56.100 0.018 0.000 0.994 1007 R CB 0.235 30.536 30.300 0.001 0.000 0.888 1007 R HN 0.240 nan 8.270 nan 0.000 0.442 1008 V N 0.721 120.655 119.914 0.035 0.000 2.950 1008 V HA 0.401 4.563 4.120 0.069 0.000 0.295 1008 V C -2.070 174.048 176.094 0.040 0.000 1.297 1008 V CA -0.767 61.511 62.300 -0.036 0.000 0.962 1008 V CB 1.941 33.725 31.823 -0.065 0.000 1.081 1008 V HN 0.424 nan 8.190 nan 0.000 0.432 1009 Y N 3.721 123.974 120.300 -0.078 0.000 2.656 1009 Y HA 0.933 5.522 4.550 0.064 0.000 0.334 1009 Y C -0.637 175.191 175.900 -0.119 0.000 1.179 1009 Y CA -0.677 57.365 58.100 -0.097 0.000 1.050 1009 Y CB 1.501 39.906 38.460 -0.092 0.000 1.308 1009 Y HN 0.945 nan 8.280 nan 0.000 0.456 1010 A N 1.764 124.597 122.820 0.023 0.000 2.287 1010 A HA 0.518 4.879 4.320 0.069 0.000 0.317 1010 A C -0.921 176.648 177.584 -0.025 0.000 1.220 1010 A CA -0.674 51.304 52.037 -0.099 0.000 0.835 1010 A CB 0.872 19.773 19.000 -0.165 0.000 1.180 1010 A HN 0.761 nan 8.150 nan 0.000 0.500 1011 E N 3.402 123.584 120.200 -0.030 0.000 2.046 1011 E HA 0.379 4.770 4.350 0.069 0.000 0.279 1011 E C -0.872 175.685 176.600 -0.072 0.000 0.989 1011 E CA -0.519 55.877 56.400 -0.008 0.000 0.798 1011 E CB 0.399 30.151 29.700 0.087 0.000 1.086 1011 E HN 0.522 nan 8.360 nan 0.000 0.399 1012 I N 4.074 124.564 120.570 -0.133 0.000 2.304 1012 I HA 0.159 4.371 4.170 0.069 0.000 0.291 1012 I C -0.010 176.171 176.117 0.107 0.000 1.018 1012 I CA -0.687 60.616 61.300 0.005 0.000 1.260 1012 I CB 0.891 38.936 38.000 0.074 0.000 1.390 1012 I HN 0.542 nan 8.210 nan 0.000 0.475 1013 D N 6.348 126.822 120.400 0.123 0.000 2.347 1013 D HA 0.161 4.843 4.640 0.069 0.000 0.235 1013 D C 0.697 177.085 176.300 0.147 0.000 1.149 1013 D CA -0.395 53.676 54.000 0.118 0.000 0.850 1013 D CB 1.221 42.075 40.800 0.090 0.000 1.061 1013 D HN 0.197 nan 8.370 nan 0.000 0.487 1014 L N 3.369 124.685 121.223 0.156 0.000 2.478 1014 L HA 0.025 4.406 4.340 0.069 0.000 0.223 1014 L C 1.443 178.384 176.870 0.119 0.000 1.140 1014 L CA 0.947 55.875 54.840 0.147 0.000 0.842 1014 L CB -0.364 41.803 42.059 0.181 0.000 0.953 1014 L HN 0.409 nan 8.230 nan 0.000 0.452 1015 D N -0.787 119.676 120.400 0.105 0.000 2.213 1015 D HA 0.009 4.691 4.640 0.069 0.000 0.205 1015 D C 2.225 178.559 176.300 0.058 0.000 0.961 1015 D CA 1.120 55.167 54.000 0.078 0.000 0.853 1015 D CB 0.195 41.037 40.800 0.070 0.000 0.967 1015 D HN 0.241 nan 8.370 nan 0.000 0.496 1016 A N 0.784 123.642 122.820 0.064 0.000 1.877 1016 A HA -0.129 4.232 4.320 0.069 0.000 0.216 1016 A C 2.493 180.094 177.584 0.028 0.000 1.186 1016 A CA 1.097 53.164 52.037 0.049 0.000 0.620 1016 A CB -0.805 18.236 19.000 0.068 0.000 0.822 1016 A HN 0.114 nan 8.150 nan 0.000 0.443 1017 V N 0.380 120.317 119.914 0.039 0.000 2.255 1017 V HA -0.327 3.834 4.120 0.069 0.000 0.247 1017 V C 2.705 178.776 176.094 -0.038 0.000 1.051 1017 V CA 2.449 64.742 62.300 -0.012 0.000 1.018 1017 V CB -0.840 30.994 31.823 0.017 0.000 0.641 1017 V HN 0.574 nan 8.190 nan 0.000 0.445 1018 R N 0.238 120.738 120.500 -0.000 0.000 2.091 1018 R HA -0.144 4.237 4.340 0.069 0.000 0.238 1018 R C 2.387 178.682 176.300 -0.009 0.000 1.136 1018 R CA 1.539 57.639 56.100 0.001 0.000 0.959 1018 R CB -0.697 29.626 30.300 0.038 0.000 0.856 1018 R HN 0.540 nan 8.270 nan 0.000 0.437 1019 A N 1.668 124.487 122.820 -0.001 0.000 1.972 1019 A HA -0.162 4.200 4.320 0.069 0.000 0.219 1019 A C 1.740 179.311 177.584 -0.021 0.000 1.169 1019 A CA 1.334 53.368 52.037 -0.004 0.000 0.635 1019 A CB -0.372 18.632 19.000 0.006 0.000 0.810 1019 A HN 0.243 nan 8.150 nan 0.000 0.446 1020 N N 0.129 118.805 118.700 -0.039 0.000 2.084 1020 N HA -0.142 4.640 4.740 0.069 0.000 0.190 1020 N C 1.861 177.326 175.510 -0.075 0.000 1.030 1020 N CA 1.816 54.828 53.050 -0.064 0.000 0.849 1020 N CB -0.718 37.706 38.487 -0.104 0.000 1.012 1020 N HN 0.457 nan 8.380 nan 0.000 0.423 1021 V N 0.371 120.234 119.914 -0.085 0.000 2.913 1021 V HA -0.010 4.151 4.120 0.069 0.000 0.260 1021 V C 2.122 178.188 176.094 -0.047 0.000 1.098 1021 V CA 1.298 63.551 62.300 -0.079 0.000 1.121 1021 V CB -0.265 31.507 31.823 -0.086 0.000 0.714 1021 V HN 0.131 nan 8.190 nan 0.000 0.487 1022 R N -0.404 120.076 120.500 -0.032 0.000 2.153 1022 R HA 0.203 4.585 4.340 0.069 0.000 0.218 1022 R C 2.334 178.624 176.300 -0.016 0.000 1.072 1022 R CA 1.204 57.293 56.100 -0.018 0.000 0.990 1022 R CB -0.332 29.963 30.300 -0.008 0.000 0.889 1022 R HN 0.645 nan 8.270 nan 0.000 0.452 1023 A N 0.570 123.377 122.820 -0.021 0.000 1.898 1023 A HA -0.057 4.305 4.320 0.069 0.000 0.214 1023 A C 1.981 179.554 177.584 -0.020 0.000 1.183 1023 A CA 0.790 52.818 52.037 -0.016 0.000 0.622 1023 A CB -0.360 18.630 19.000 -0.017 0.000 0.824 1023 A HN 0.228 nan 8.150 nan 0.000 0.444 1024 L N -1.001 120.201 121.223 -0.035 0.000 2.201 1024 L HA -0.116 4.265 4.340 0.069 0.000 0.212 1024 L C 2.798 179.641 176.870 -0.045 0.000 1.105 1024 L CA 0.835 55.650 54.840 -0.043 0.000 0.775 1024 L CB -0.370 41.651 42.059 -0.063 0.000 0.913 1024 L HN 0.360 nan 8.230 nan 0.000 0.440 1025 R N -0.232 120.247 120.500 -0.035 0.000 2.092 1025 R HA -0.104 4.277 4.340 0.069 0.000 0.231 1025 R C 2.382 178.672 176.300 -0.017 0.000 1.119 1025 R CA 1.289 57.372 56.100 -0.028 0.000 0.970 1025 R CB -0.282 30.009 30.300 -0.016 0.000 0.864 1025 R HN 0.337 nan 8.270 nan 0.000 0.440 1026 A N 0.695 123.510 122.820 -0.007 0.000 1.930 1026 A HA -0.153 4.209 4.320 0.069 0.000 0.217 1026 A C 2.067 179.660 177.584 0.015 0.000 1.175 1026 A CA 1.093 53.134 52.037 0.006 0.000 0.627 1026 A CB -0.281 18.723 19.000 0.007 0.000 0.815 1026 A HN 0.083 nan 8.150 nan 0.000 0.443 1027 R N -0.193 120.313 120.500 0.010 0.000 2.159 1027 R HA 0.008 4.389 4.340 0.069 0.000 0.237 1027 R C 0.642 176.979 176.300 0.062 0.000 1.131 1027 R CA 1.280 57.402 56.100 0.036 0.000 0.982 1027 R CB -0.371 29.945 30.300 0.027 0.000 0.868 1027 R HN 0.395 nan 8.270 nan 0.000 0.453 1028 A N -0.036 122.772 122.820 -0.020 0.000 3.105 1028 A HA 0.372 4.733 4.320 0.069 0.000 0.336 1028 A C -2.015 175.570 177.584 0.003 0.000 1.042 1028 A CA -1.283 50.719 52.037 -0.058 0.000 0.851 1028 A CB 0.780 19.513 19.000 -0.445 0.000 1.068 1028 A HN 0.066 nan 8.150 nan 0.000 0.477 1029 P HA -0.205 nan 4.420 nan 0.000 0.216 1029 P C 0.909 178.236 177.300 0.044 0.000 1.153 1029 P CA 1.337 64.461 63.100 0.041 0.000 0.858 1029 P CB 0.222 31.949 31.700 0.046 0.000 0.789 1030 R N -0.670 119.869 120.500 0.065 0.000 2.359 1030 R HA 0.229 4.611 4.340 0.069 0.000 0.231 1030 R C 0.693 177.035 176.300 0.069 0.000 0.913 1030 R CA 0.042 56.181 56.100 0.064 0.000 1.075 1030 R CB 0.147 30.487 30.300 0.066 0.000 1.087 1030 R HN 0.197 nan 8.270 nan 0.000 0.515 1031 S N -0.222 115.510 115.700 0.053 0.000 2.704 1031 S HA 0.735 5.246 4.470 0.069 0.000 0.305 1031 S C -0.339 174.275 174.600 0.022 0.000 1.107 1031 S CA -0.992 57.235 58.200 0.044 0.000 0.993 1031 S CB 1.949 65.158 63.200 0.015 0.000 1.110 1031 S HN 0.229 nan 8.310 nan 0.000 0.534 1032 A N 1.216 124.051 122.820 0.024 0.000 2.295 1032 A HA 0.710 5.072 4.320 0.069 0.000 0.318 1032 A C -0.823 176.761 177.584 -0.000 0.000 1.134 1032 A CA -0.552 51.508 52.037 0.038 0.000 0.827 1032 A CB 0.393 19.442 19.000 0.080 0.000 1.136 1032 A HN 0.647 nan 8.150 nan 0.000 0.493 1033 L N 2.445 123.686 121.223 0.030 0.000 2.309 1033 L HA 0.528 4.910 4.340 0.069 0.000 0.282 1033 L C -0.573 176.327 176.870 0.050 0.000 1.036 1033 L CA -0.209 54.636 54.840 0.007 0.000 0.806 1033 L CB 1.254 43.312 42.059 -0.003 0.000 1.220 1033 L HN 0.841 nan 8.230 nan 0.000 0.429 1034 M N 4.822 124.427 119.600 0.009 0.000 2.018 1034 M HA 0.379 4.901 4.480 0.069 0.000 0.311 1034 M C -0.587 175.735 176.300 0.038 0.000 0.928 1034 M CA -0.583 54.750 55.300 0.055 0.000 0.911 1034 M CB 1.389 33.973 32.600 -0.026 0.000 1.447 1034 M HN 0.748 nan 8.290 nan 0.000 0.407 1035 A N 4.865 127.705 122.820 0.033 0.000 2.396 1035 A HA 0.485 4.847 4.320 0.069 0.000 0.279 1035 A C -0.272 177.336 177.584 0.040 0.000 1.165 1035 A CA -0.396 51.631 52.037 -0.018 0.000 0.824 1035 A CB -0.051 18.915 19.000 -0.058 0.000 1.100 1035 A HN 0.622 nan 8.150 nan 0.000 0.516 1036 V N 4.359 124.315 119.914 0.071 0.000 2.408 1036 V HA 0.240 4.402 4.120 0.069 0.000 0.267 1036 V C 0.688 176.916 176.094 0.222 0.000 1.047 1036 V CA -0.002 62.413 62.300 0.193 0.000 0.937 1036 V CB 0.908 32.929 31.823 0.330 0.000 0.999 1036 V HN 0.868 nan 8.190 nan 0.000 0.472 1037 V N 2.292 122.320 119.914 0.191 0.000 2.802 1037 V HA 0.401 4.562 4.120 0.069 0.000 0.350 1037 V C 0.245 176.454 176.094 0.192 0.000 1.233 1037 V CA -0.868 61.566 62.300 0.224 0.000 1.337 1037 V CB -0.654 31.238 31.823 0.114 0.000 1.497 1037 V HN 0.886 nan 8.190 nan 0.000 0.616 1038 K N -0.859 119.693 120.400 0.254 0.000 2.098 1038 K HA 0.726 5.087 4.320 0.069 0.000 0.261 1038 K C 0.318 176.963 176.600 0.076 0.000 0.987 1038 K CA 0.055 56.401 56.287 0.097 0.000 0.916 1038 K CB 1.246 33.774 32.500 0.047 0.000 1.039 1038 K HN 0.174 nan 8.250 nan 0.000 0.455 1039 S N 1.581 117.273 115.700 -0.013 0.000 3.886 1039 S HA -0.161 4.350 4.470 0.069 0.000 0.398 1039 S C -0.191 174.420 174.600 0.019 0.000 0.931 1039 S CA 0.824 59.001 58.200 -0.037 0.000 1.217 1039 S CB -1.921 61.205 63.200 -0.124 0.000 0.874 1039 S HN 1.057 nan 8.310 nan 0.000 0.521 1040 N N 0.048 118.764 118.700 0.027 0.000 2.710 1040 N HA -0.255 4.526 4.740 0.069 0.000 0.249 1040 N C 0.328 175.893 175.510 0.091 0.000 1.059 1040 N CA 1.924 55.003 53.050 0.048 0.000 0.720 1040 N CB -1.507 37.000 38.487 0.034 0.000 0.983 1040 N HN 2.092 nan 8.380 nan 0.000 0.544 1041 A N -0.392 122.514 122.820 0.142 0.000 2.578 1041 A HA -0.202 4.159 4.320 0.069 0.000 0.298 1041 A C 0.703 178.314 177.584 0.046 0.000 1.472 1041 A CA 1.133 53.271 52.037 0.169 0.000 0.734 1041 A CB -2.414 16.653 19.000 0.111 0.000 1.091 1041 A HN 1.222 nan 8.150 nan 0.000 0.426 1042 Y N -2.824 117.395 120.300 -0.135 0.000 3.617 1042 Y HA -0.156 4.439 4.550 0.075 0.000 0.215 1042 Y C 2.014 177.905 175.900 -0.015 0.000 1.178 1042 Y CA 2.068 60.097 58.100 -0.117 0.000 1.517 1042 Y CB -1.794 36.503 38.460 -0.271 0.000 1.457 1042 Y HN 2.451 nan 8.280 nan 0.000 0.615 1043 G N -1.966 106.918 108.800 0.140 0.000 2.141 1043 G HA2 -0.342 3.659 3.960 0.069 0.000 0.231 1043 G HA3 -0.342 3.659 3.960 0.069 0.000 0.231 1043 G C 0.394 175.312 174.900 0.029 0.000 0.984 1043 G CA 0.374 45.516 45.100 0.071 0.000 0.660 1043 G HN 0.607 nan 8.290 nan 0.000 0.525 1044 H N -0.114 118.898 119.070 -0.096 0.000 2.648 1044 H HA 0.482 5.058 4.556 0.034 0.000 0.265 1044 H C 1.482 176.891 175.328 0.135 0.000 0.961 1044 H CA 0.936 56.973 56.048 -0.019 0.000 1.185 1044 H CB 1.023 30.738 29.762 -0.078 0.000 1.449 1044 H HN 1.481 nan 8.280 nan 0.000 0.523 1045 G N 0.428 109.356 108.800 0.213 0.000 3.199 1045 G HA2 0.130 4.131 3.960 0.069 0.000 0.680 1045 G HA3 0.130 4.131 3.960 0.069 0.000 0.680 1045 G C 0.823 175.786 174.900 0.106 0.000 1.197 1045 G CA -0.115 45.103 45.100 0.198 0.000 1.143 1045 G HN 0.455 nan 8.290 nan 0.000 0.492 1046 A N 1.989 124.851 122.820 0.069 0.000 1.852 1046 A HA 0.008 4.370 4.320 0.069 0.000 0.217 1046 A C 2.680 180.260 177.584 -0.007 0.000 1.215 1046 A CA 3.239 55.299 52.037 0.038 0.000 0.641 1046 A CB -0.770 18.241 19.000 0.018 0.000 0.838 1046 A HN 1.596 nan 8.150 nan 0.000 0.450 1047 V N 0.758 120.652 119.914 -0.033 0.000 2.295 1047 V HA -0.174 3.988 4.120 0.069 0.000 0.246 1047 V C -0.061 175.936 176.094 -0.161 0.000 1.049 1047 V CA 2.556 64.809 62.300 -0.078 0.000 1.024 1047 V CB -1.709 30.081 31.823 -0.055 0.000 0.648 1047 V HN 0.412 nan 8.190 nan 0.000 0.447 1048 P HA -0.129 nan 4.420 nan 0.000 0.215 1048 P C 1.767 178.874 177.300 -0.323 0.000 1.157 1048 P CA 1.763 64.638 63.100 -0.375 0.000 0.874 1048 P CB -0.207 31.073 31.700 -0.700 0.000 0.790 1049 C N -1.070 118.137 119.300 -0.156 0.000 2.446 1049 C HA 0.120 4.621 4.460 0.069 0.000 0.279 1049 C C 2.883 177.807 174.990 -0.109 0.000 1.366 1049 C CA 0.803 59.781 59.018 -0.067 0.000 1.763 1049 C CB -1.810 26.001 27.740 0.118 0.000 1.929 1049 C HN 0.227 nan 8.230 nan 0.000 0.509 1050 A N 1.099 123.852 122.820 -0.111 0.000 1.898 1050 A HA -0.149 4.213 4.320 0.069 0.000 0.216 1050 A C 2.244 179.729 177.584 -0.165 0.000 1.181 1050 A CA 1.251 53.226 52.037 -0.103 0.000 0.620 1050 A CB -0.409 18.545 19.000 -0.076 0.000 0.819 1050 A HN 0.662 nan 8.150 nan 0.000 0.442 1051 R N -0.437 119.896 120.500 -0.279 0.000 2.062 1051 R HA 0.030 4.412 4.340 0.069 0.000 0.229 1051 R C 2.538 178.559 176.300 -0.465 0.000 1.128 1051 R CA 1.090 56.967 56.100 -0.372 0.000 0.960 1051 R CB -0.501 29.461 30.300 -0.563 0.000 0.855 1051 R HN 0.474 nan 8.270 nan 0.000 0.432 1052 A N 1.766 124.202 122.820 -0.641 0.000 1.865 1052 A HA -0.176 4.185 4.320 0.069 0.000 0.217 1052 A C 2.443 179.959 177.584 -0.113 0.000 1.191 1052 A CA 1.889 53.726 52.037 -0.333 0.000 0.623 1052 A CB -0.949 17.931 19.000 -0.201 0.000 0.826 1052 A HN 0.395 nan 8.150 nan 0.000 0.444 1053 A N -0.856 121.890 122.820 -0.124 0.000 1.859 1053 A HA -0.315 4.047 4.320 0.069 0.000 0.217 1053 A C 2.256 179.806 177.584 -0.056 0.000 1.198 1053 A CA 2.248 54.233 52.037 -0.088 0.000 0.629 1053 A CB -0.920 18.020 19.000 -0.101 0.000 0.830 1053 A HN 0.685 nan 8.150 nan 0.000 0.446 1054 Q N -0.986 118.777 119.800 -0.060 0.000 2.112 1054 Q HA -0.273 4.108 4.340 0.069 0.000 0.206 1054 Q C 2.177 178.173 176.000 -0.007 0.000 0.987 1054 Q CA 2.004 57.787 55.803 -0.033 0.000 0.858 1054 Q CB -0.210 28.503 28.738 -0.042 0.000 0.905 1054 Q HN 0.721 nan 8.270 nan 0.000 0.420 1055 E N -0.051 120.156 120.200 0.012 0.000 2.085 1055 E HA -0.190 4.201 4.350 0.069 0.000 0.194 1055 E C 1.534 178.157 176.600 0.040 0.000 0.994 1055 E CA 1.308 57.744 56.400 0.061 0.000 0.801 1055 E CB -0.162 29.632 29.700 0.156 0.000 0.743 1055 E HN 0.465 nan 8.360 nan 0.000 0.453 1056 A N -0.400 122.435 122.820 0.024 0.000 2.239 1056 A HA 0.126 4.487 4.320 0.069 0.000 0.209 1056 A C 1.558 179.143 177.584 0.003 0.000 1.171 1056 A CA 1.373 53.417 52.037 0.012 0.000 0.768 1056 A CB -0.261 18.738 19.000 -0.001 0.000 0.790 1056 A HN 0.439 nan 8.150 nan 0.000 0.478 1057 G N -2.840 105.962 108.800 0.003 0.000 2.198 1057 G HA2 0.225 4.227 3.960 0.069 0.000 0.156 1057 G HA3 0.225 4.227 3.960 0.069 0.000 0.156 1057 G C 0.230 175.133 174.900 0.005 0.000 1.012 1057 G CA -0.074 45.028 45.100 0.004 0.000 0.692 1057 G HN 1.398 nan 8.290 nan 0.000 0.492 1058 A N 0.489 123.308 122.820 -0.001 0.000 2.451 1058 A HA 0.781 5.143 4.320 0.069 0.000 0.266 1058 A C 1.487 179.088 177.584 0.028 0.000 1.119 1058 A CA 1.191 53.235 52.037 0.012 0.000 0.786 1058 A CB 0.741 19.738 19.000 -0.005 0.000 1.061 1058 A HN 1.634 nan 8.150 nan 0.000 0.503 1059 A N 2.943 125.809 122.820 0.077 0.000 1.975 1059 A HA 0.304 4.666 4.320 0.069 0.000 0.215 1059 A C 0.354 177.970 177.584 0.053 0.000 1.170 1059 A CA 0.495 52.582 52.037 0.083 0.000 0.656 1059 A CB -0.034 19.073 19.000 0.178 0.000 0.821 1059 A HN 0.808 nan 8.150 nan 0.000 0.449 1060 W N -1.814 119.456 121.300 -0.050 0.000 2.902 1060 W HA 0.711 5.411 4.660 0.067 0.000 0.346 1060 W C -0.842 175.647 176.519 -0.050 0.000 1.139 1060 W CA -0.572 56.740 57.345 -0.055 0.000 1.139 1060 W CB 1.255 30.667 29.460 -0.079 0.000 1.439 1060 W HN -0.101 nan 8.180 nan 0.000 0.558 1061 L N 1.774 123.128 121.223 0.218 0.000 2.438 1061 L HA 0.809 5.191 4.340 0.069 0.000 0.270 1061 L C 0.090 177.033 176.870 0.122 0.000 0.972 1061 L CA -0.690 54.215 54.840 0.108 0.000 0.831 1061 L CB 1.868 43.937 42.059 0.018 0.000 1.273 1061 L HN 0.543 nan 8.230 nan 0.000 0.405 1062 G N 0.614 109.469 108.800 0.091 0.000 2.542 1062 G HA2 0.752 4.754 3.960 0.069 0.000 0.311 1062 G HA3 0.752 4.754 3.960 0.069 0.000 0.311 1062 G C -0.741 174.051 174.900 -0.179 0.000 1.298 1062 G CA -0.265 44.837 45.100 0.003 0.000 0.973 1062 G HN 0.514 nan 8.290 nan 0.000 0.487 1063 T N -1.997 112.225 114.554 -0.554 0.000 2.716 1063 T HA 0.736 5.127 4.350 0.069 0.000 0.286 1063 T C 0.932 174.977 174.700 -1.091 0.000 1.052 1063 T CA 0.244 62.019 62.100 -0.542 0.000 1.024 1063 T CB 1.621 70.286 68.868 -0.338 0.000 1.349 1063 T HN 1.038 nan 8.240 nan 0.000 0.525 1064 A N 0.905 123.305 122.820 -0.700 0.000 1.919 1064 A HA 0.453 4.815 4.320 0.069 0.000 0.211 1064 A C 1.473 178.691 177.584 -0.611 0.000 1.310 1064 A CA 0.982 52.572 52.037 -0.746 0.000 0.651 1064 A CB -1.039 17.824 19.000 -0.229 0.000 0.996 1064 A HN 1.267 nan 8.150 nan 0.000 0.479 1065 T N -2.326 111.963 114.554 -0.440 0.000 2.904 1065 T HA 0.431 4.822 4.350 0.069 0.000 0.290 1065 T C -1.930 172.437 174.700 -0.555 0.000 1.018 1065 T CA -1.303 60.517 62.100 -0.466 0.000 1.075 1065 T CB 1.290 69.972 68.868 -0.310 0.000 0.986 1065 T HN -0.003 nan 8.240 nan 0.000 0.523 1066 P HA -0.041 nan 4.420 nan 0.000 0.216 1066 P C 1.260 178.332 177.300 -0.381 0.000 1.153 1066 P CA 0.938 63.605 63.100 -0.722 0.000 0.848 1066 P CB 0.078 31.119 31.700 -1.099 0.000 0.787 1067 E N 0.048 120.058 120.200 -0.317 0.000 2.070 1067 E HA -0.214 4.178 4.350 0.069 0.000 0.197 1067 E C 1.999 178.500 176.600 -0.166 0.000 1.004 1067 E CA 1.336 57.619 56.400 -0.195 0.000 0.805 1067 E CB -0.777 28.827 29.700 -0.160 0.000 0.744 1067 E HN 0.397 nan 8.360 nan 0.000 0.451 1068 E N -0.160 119.925 120.200 -0.192 0.000 2.085 1068 E HA -0.213 4.179 4.350 0.069 0.000 0.194 1068 E C 1.993 178.507 176.600 -0.143 0.000 0.994 1068 E CA 1.112 57.418 56.400 -0.156 0.000 0.801 1068 E CB -0.149 29.444 29.700 -0.178 0.000 0.743 1068 E HN 0.306 nan 8.360 nan 0.000 0.453 1069 A N 0.660 123.371 122.820 -0.181 0.000 1.929 1069 A HA -0.081 4.280 4.320 0.069 0.000 0.216 1069 A C 2.125 179.651 177.584 -0.097 0.000 1.176 1069 A CA 0.656 52.609 52.037 -0.141 0.000 0.628 1069 A CB -0.419 18.484 19.000 -0.161 0.000 0.816 1069 A HN 0.118 nan 8.150 nan 0.000 0.444 1070 L N -0.308 120.854 121.223 -0.101 0.000 2.017 1070 L HA -0.228 4.153 4.340 0.069 0.000 0.208 1070 L C 2.705 179.543 176.870 -0.053 0.000 1.073 1070 L CA 1.939 56.740 54.840 -0.064 0.000 0.745 1070 L CB -0.582 41.438 42.059 -0.064 0.000 0.894 1070 L HN 0.673 nan 8.230 nan 0.000 0.432 1071 E N 0.676 120.839 120.200 -0.062 0.000 2.209 1071 E HA -0.240 4.151 4.350 0.069 0.000 0.196 1071 E C 2.247 178.823 176.600 -0.040 0.000 0.993 1071 E CA 1.038 57.410 56.400 -0.046 0.000 0.819 1071 E CB -0.037 29.634 29.700 -0.049 0.000 0.745 1071 E HN 0.535 nan 8.360 nan 0.000 0.477 1072 L N 0.122 121.315 121.223 -0.050 0.000 2.109 1072 L HA -0.078 4.304 4.340 0.069 0.000 0.207 1072 L C 2.888 179.736 176.870 -0.038 0.000 1.086 1072 L CA 0.815 55.628 54.840 -0.046 0.000 0.760 1072 L CB -0.270 41.755 42.059 -0.056 0.000 0.910 1072 L HN 0.135 nan 8.230 nan 0.000 0.437 1073 R N -0.247 120.231 120.500 -0.036 0.000 2.093 1073 R HA -0.012 4.370 4.340 0.069 0.000 0.224 1073 R C 2.277 178.566 176.300 -0.018 0.000 1.101 1073 R CA 1.114 57.197 56.100 -0.028 0.000 0.979 1073 R CB -0.363 29.922 30.300 -0.025 0.000 0.877 1073 R HN 0.274 nan 8.270 nan 0.000 0.441 1074 A N 1.263 124.072 122.820 -0.018 0.000 1.986 1074 A HA -0.129 4.232 4.320 0.069 0.000 0.220 1074 A C 1.927 179.508 177.584 -0.005 0.000 1.171 1074 A CA 1.862 53.892 52.037 -0.011 0.000 0.640 1074 A CB -0.322 18.669 19.000 -0.014 0.000 0.811 1074 A HN 0.330 nan 8.150 nan 0.000 0.451 1075 A N -1.321 121.495 122.820 -0.007 0.000 2.411 1075 A HA 0.453 4.815 4.320 0.069 0.000 0.251 1075 A C 1.525 179.115 177.584 0.009 0.000 1.317 1075 A CA 0.854 52.894 52.037 0.004 0.000 0.904 1075 A CB -1.359 17.640 19.000 -0.002 0.000 0.993 1075 A HN 1.894 nan 8.150 nan 0.000 0.504 1076 G N -0.191 108.612 108.800 0.004 0.000 2.225 1076 G HA2 -0.249 3.752 3.960 0.069 0.000 0.267 1076 G HA3 -0.249 3.752 3.960 0.069 0.000 0.267 1076 G C 0.061 174.961 174.900 0.001 0.000 1.024 1076 G CA 0.488 45.592 45.100 0.006 0.000 0.784 1076 G HN 0.553 nan 8.290 nan 0.000 0.507 1077 I N 0.476 121.038 120.570 -0.014 0.000 2.352 1077 I HA 0.219 4.431 4.170 0.069 0.000 0.290 1077 I C 1.069 177.163 176.117 -0.038 0.000 1.036 1077 I CA -0.334 60.950 61.300 -0.025 0.000 1.336 1077 I CB 0.951 38.926 38.000 -0.041 0.000 1.407 1077 I HN 0.276 nan 8.210 nan 0.000 0.497 1078 Q N 3.612 123.388 119.800 -0.040 0.000 2.204 1078 Q HA 0.636 5.018 4.340 0.069 0.000 0.175 1078 Q C 0.413 176.358 176.000 -0.092 0.000 1.020 1078 Q CA -0.210 55.558 55.803 -0.058 0.000 1.078 1078 Q CB 0.935 29.645 28.738 -0.048 0.000 1.228 1078 Q HN 0.849 nan 8.270 nan 0.000 0.550 1079 G N 0.136 108.863 108.800 -0.122 0.000 2.795 1079 G HA2 -0.201 3.800 3.960 0.069 0.000 0.664 1079 G HA3 -0.201 3.800 3.960 0.069 0.000 0.664 1079 G C -1.051 173.676 174.900 -0.287 0.000 1.381 1079 G CA -0.884 44.101 45.100 -0.192 0.000 0.853 1079 G HN 0.389 nan 8.290 nan 0.000 0.545 1080 R N -0.544 119.652 120.500 -0.507 0.000 2.489 1080 R HA 0.425 4.806 4.340 0.069 0.000 0.287 1080 R C 0.409 176.405 176.300 -0.506 0.000 1.053 1080 R CA 0.317 55.921 56.100 -0.826 0.000 1.036 1080 R CB 0.197 29.301 30.300 -1.994 0.000 0.966 1080 R HN 0.485 nan 8.270 nan 0.000 0.432 1081 I N 3.176 123.583 120.570 -0.272 0.000 2.769 1081 I HA 0.454 4.666 4.170 0.069 0.000 0.298 1081 I C -0.230 175.957 176.117 0.117 0.000 1.128 1081 I CA -0.893 60.392 61.300 -0.026 0.000 1.031 1081 I CB 2.395 40.365 38.000 -0.051 0.000 1.235 1081 I HN 0.475 nan 8.210 nan 0.000 0.423 1082 M N 6.135 125.831 119.600 0.161 0.000 2.421 1082 M HA 0.668 5.190 4.480 0.069 0.000 0.287 1082 M C -1.796 174.465 176.300 -0.066 0.000 1.183 1082 M CA -0.295 55.105 55.300 0.166 0.000 0.916 1082 M CB 2.053 34.839 32.600 0.310 0.000 1.701 1082 M HN 0.856 nan 8.290 nan 0.000 0.470 1083 C N 1.126 120.393 119.300 -0.055 0.000 2.848 1083 C HA 0.882 5.383 4.460 0.069 0.000 0.317 1083 C C -0.354 174.636 174.990 0.000 0.000 1.260 1083 C CA -0.450 58.343 59.018 -0.375 0.000 1.656 1083 C CB 0.558 28.046 27.740 -0.420 0.000 2.174 1083 C HN 1.230 nan 8.230 nan 0.000 0.479 1084 W N -0.705 120.649 121.300 0.091 0.000 2.199 1084 W HA 0.487 5.186 4.660 0.066 0.000 0.264 1084 W C -0.283 176.403 176.519 0.277 0.000 0.923 1084 W CA -0.418 57.102 57.345 0.292 0.000 1.221 1084 W CB -0.358 29.305 29.460 0.338 0.000 0.974 1084 W HN 0.426 nan 8.180 nan 0.000 0.562 1085 L N 2.337 123.618 121.223 0.096 0.000 2.352 1085 L HA 0.459 4.841 4.340 0.069 0.000 0.272 1085 L C -1.114 175.698 176.870 -0.096 0.000 1.109 1085 L CA -0.699 54.213 54.840 0.119 0.000 0.952 1085 L CB -0.460 41.628 42.059 0.047 0.000 1.314 1085 L HN 0.036 nan 8.230 nan 0.000 0.427 1086 W N 2.784 124.165 121.300 0.135 0.000 2.578 1086 W HA 0.747 5.449 4.660 0.071 0.000 0.353 1086 W C 0.115 176.847 176.519 0.355 0.000 1.088 1086 W CA -0.331 57.067 57.345 0.089 0.000 1.235 1086 W CB 1.982 31.413 29.460 -0.049 0.000 1.362 1086 W HN 0.469 nan 8.180 nan 0.000 0.592 1087 T N -0.639 114.285 114.554 0.617 0.000 2.903 1087 T HA 0.495 4.887 4.350 0.069 0.000 0.299 1087 T C -2.828 172.208 174.700 0.560 0.000 1.093 1087 T CA -2.617 59.781 62.100 0.498 0.000 1.002 1087 T CB 1.458 70.449 68.868 0.205 0.000 1.127 1087 T HN -0.044 nan 8.240 nan 0.000 0.488 1088 P HA 0.276 nan 4.420 nan 0.000 0.261 1088 P C 1.174 178.667 177.300 0.321 0.000 1.173 1088 P CA 1.431 64.696 63.100 0.276 0.000 0.760 1088 P CB -0.007 31.617 31.700 -0.126 0.000 0.783 1089 G N 1.818 110.882 108.800 0.440 0.000 2.176 1089 G HA2 -0.164 3.838 3.960 0.069 0.000 0.253 1089 G HA3 -0.164 3.838 3.960 0.069 0.000 0.253 1089 G C 0.666 175.752 174.900 0.310 0.000 0.979 1089 G CA -0.207 45.086 45.100 0.323 0.000 0.641 1089 G HN 0.892 nan 8.290 nan 0.000 0.530 1090 G N 0.323 109.338 108.800 0.358 0.000 2.750 1090 G HA2 0.457 4.459 3.960 0.069 0.000 0.250 1090 G HA3 0.457 4.459 3.960 0.069 0.000 0.250 1090 G C -1.107 173.914 174.900 0.201 0.000 1.230 1090 G CA -0.002 45.223 45.100 0.208 0.000 0.883 1090 G HN 0.268 nan 8.290 nan 0.000 0.573 1091 P HA 0.089 nan 4.420 nan 0.000 0.226 1091 P C 0.173 177.654 177.300 0.301 0.000 1.783 1091 P CA -0.406 62.819 63.100 0.209 0.000 0.980 1091 P CB -0.271 31.491 31.700 0.103 0.000 1.967 1092 W N 0.890 122.334 121.300 0.241 0.000 2.318 1092 W HA -0.114 4.589 4.660 0.071 0.000 0.313 1092 W C 2.741 179.276 176.519 0.027 0.000 1.221 1092 W CA 0.903 58.222 57.345 -0.043 0.000 1.266 1092 W CB -0.825 28.520 29.460 -0.191 0.000 1.150 1092 W HN 0.154 nan 8.180 nan 0.000 0.496 1093 R N 0.626 121.293 120.500 0.280 0.000 2.083 1093 R HA -0.208 4.174 4.340 0.069 0.000 0.237 1093 R C 1.932 178.316 176.300 0.141 0.000 1.137 1093 R CA 2.156 58.358 56.100 0.170 0.000 0.951 1093 R CB -0.274 30.105 30.300 0.132 0.000 0.851 1093 R HN 0.100 nan 8.270 nan 0.000 0.434 1094 E N 0.125 120.411 120.200 0.142 0.000 2.058 1094 E HA -0.192 4.199 4.350 0.069 0.000 0.194 1094 E C 1.838 178.507 176.600 0.115 0.000 0.997 1094 E CA 1.679 58.142 56.400 0.106 0.000 0.801 1094 E CB -0.301 29.452 29.700 0.088 0.000 0.746 1094 E HN 0.450 nan 8.360 nan 0.000 0.450 1095 A N 0.559 123.484 122.820 0.176 0.000 1.902 1095 A HA -0.180 4.182 4.320 0.069 0.000 0.217 1095 A C 2.274 179.947 177.584 0.148 0.000 1.181 1095 A CA 1.386 53.538 52.037 0.191 0.000 0.623 1095 A CB -0.702 18.516 19.000 0.363 0.000 0.818 1095 A HN 0.215 nan 8.150 nan 0.000 0.443 1096 I N -0.724 119.934 120.570 0.146 0.000 2.286 1096 I HA -0.245 3.967 4.170 0.069 0.000 0.248 1096 I C 2.433 178.593 176.117 0.071 0.000 1.115 1096 I CA 1.570 62.933 61.300 0.105 0.000 1.392 1096 I CB -0.366 37.691 38.000 0.095 0.000 1.065 1096 I HN 0.393 nan 8.210 nan 0.000 0.418 1097 E N 0.056 120.297 120.200 0.068 0.000 2.150 1097 E HA -0.191 4.200 4.350 0.069 0.000 0.193 1097 E C 1.848 178.469 176.600 0.034 0.000 0.985 1097 E CA 1.690 58.118 56.400 0.046 0.000 0.814 1097 E CB -0.010 29.717 29.700 0.045 0.000 0.752 1097 E HN 0.524 nan 8.360 nan 0.000 0.466 1098 T N -1.724 112.854 114.554 0.039 0.000 3.219 1098 T HA 0.011 4.402 4.350 0.069 0.000 0.249 1098 T C 0.234 174.942 174.700 0.013 0.000 1.099 1098 T CA 0.268 62.381 62.100 0.021 0.000 0.988 1098 T CB 0.071 68.951 68.868 0.020 0.000 0.999 1098 T HN -0.029 nan 8.240 nan 0.000 0.550 1099 D N 0.292 120.706 120.400 0.024 0.000 2.746 1099 D HA -0.138 4.543 4.640 0.069 0.000 0.241 1099 D C -0.788 175.518 176.300 0.010 0.000 1.140 1099 D CA 0.375 54.383 54.000 0.012 0.000 0.707 1099 D CB -1.805 38.986 40.800 -0.016 0.000 1.034 1099 D HN 0.699 nan 8.370 nan 0.000 0.423 1100 I N 0.927 121.530 120.570 0.054 0.000 2.404 1100 I HA 0.226 4.438 4.170 0.069 0.000 0.293 1100 I C 0.165 176.365 176.117 0.138 0.000 0.992 1100 I CA -0.969 60.375 61.300 0.074 0.000 1.149 1100 I CB 1.427 39.479 38.000 0.087 0.000 1.315 1100 I HN -0.126 nan 8.210 nan 0.000 0.446 1101 D N 5.853 126.356 120.400 0.172 0.000 2.338 1101 D HA 0.212 4.894 4.640 0.069 0.000 0.255 1101 D C -0.089 176.378 176.300 0.279 0.000 1.237 1101 D CA 0.077 54.221 54.000 0.241 0.000 0.883 1101 D CB 0.876 41.891 40.800 0.358 0.000 1.087 1101 D HN 0.234 nan 8.370 nan 0.000 0.485 1102 V N 0.656 120.745 119.914 0.291 0.000 2.743 1102 V HA 0.656 4.818 4.120 0.069 0.000 0.301 1102 V C 0.198 176.513 176.094 0.368 0.000 1.057 1102 V CA -0.726 61.813 62.300 0.398 0.000 1.006 1102 V CB 1.910 33.896 31.823 0.271 0.000 1.024 1102 V HN 0.393 nan 8.190 nan 0.000 0.473 1103 S N 2.741 118.735 115.700 0.490 0.000 2.549 1103 S HA 0.788 5.300 4.470 0.069 0.000 0.297 1103 S C -0.735 174.095 174.600 0.382 0.000 1.115 1103 S CA -0.528 57.982 58.200 0.517 0.000 1.059 1103 S CB 1.515 65.192 63.200 0.795 0.000 1.046 1103 S HN 1.051 nan 8.310 nan 0.000 0.506 1104 V N 3.635 123.712 119.914 0.271 0.000 2.604 1104 V HA 0.548 4.710 4.120 0.069 0.000 0.305 1104 V C 0.311 176.444 176.094 0.066 0.000 1.043 1104 V CA -0.538 61.803 62.300 0.068 0.000 0.888 1104 V CB 1.893 33.678 31.823 -0.063 0.000 0.995 1104 V HN 0.993 nan 8.190 nan 0.000 0.429 1105 S N 1.786 117.477 115.700 -0.014 0.000 2.649 1105 S HA 0.486 4.997 4.470 0.069 0.000 0.246 1105 S C 0.389 174.988 174.600 -0.002 0.000 1.057 1105 S CA 0.447 58.659 58.200 0.020 0.000 1.051 1105 S CB 1.017 64.258 63.200 0.067 0.000 1.018 1105 S HN 1.044 nan 8.310 nan 0.000 0.569 1106 G N 0.178 108.890 108.800 -0.146 0.000 2.692 1106 G HA2 0.468 4.469 3.960 0.069 0.000 0.291 1106 G HA3 0.468 4.469 3.960 0.069 0.000 0.291 1106 G C 0.376 175.146 174.900 -0.217 0.000 1.423 1106 G CA -0.467 44.571 45.100 -0.104 0.000 0.843 1106 G HN -0.078 nan 8.290 nan 0.000 0.486 1107 M N 0.495 120.062 119.600 -0.055 0.000 2.108 1107 M HA -0.033 4.489 4.480 0.069 0.000 0.261 1107 M C 2.417 178.675 176.300 -0.071 0.000 1.066 1107 M CA 1.488 56.753 55.300 -0.058 0.000 1.107 1107 M CB -1.014 31.598 32.600 0.019 0.000 1.356 1107 M HN 0.891 nan 8.290 nan 0.000 0.406 1108 W N 0.885 122.167 121.300 -0.030 0.000 2.338 1108 W HA -0.145 4.556 4.660 0.069 0.000 0.304 1108 W C 1.844 178.299 176.519 -0.105 0.000 1.212 1108 W CA 1.375 58.696 57.345 -0.040 0.000 1.264 1108 W CB -1.418 28.052 29.460 0.018 0.000 1.142 1108 W HN 0.217 nan 8.180 nan 0.000 0.512 1109 A N 1.957 124.138 122.820 -1.066 0.000 1.873 1109 A HA -0.129 4.232 4.320 0.069 0.000 0.215 1109 A C 2.347 179.425 177.584 -0.844 0.000 1.186 1109 A CA 1.709 53.045 52.037 -1.169 0.000 0.616 1109 A CB -1.188 17.134 19.000 -1.130 0.000 0.823 1109 A HN 0.393 nan 8.150 nan 0.000 0.442 1110 L N -0.558 120.339 121.223 -0.544 0.000 2.042 1110 L HA -0.214 4.168 4.340 0.069 0.000 0.210 1110 L C 1.909 178.556 176.870 -0.372 0.000 1.076 1110 L CA 2.089 56.688 54.840 -0.401 0.000 0.749 1110 L CB -0.480 41.429 42.059 -0.249 0.000 0.893 1110 L HN 0.355 nan 8.230 nan 0.000 0.432 1111 D N -0.331 119.898 120.400 -0.285 0.000 2.117 1111 D HA -0.181 4.501 4.640 0.069 0.000 0.198 1111 D C 2.136 178.267 176.300 -0.281 0.000 0.982 1111 D CA 0.982 54.859 54.000 -0.206 0.000 0.828 1111 D CB 0.040 40.785 40.800 -0.090 0.000 0.967 1111 D HN 0.384 nan 8.370 nan 0.000 0.464 1112 E N 0.229 120.183 120.200 -0.410 0.000 2.077 1112 E HA -0.122 4.270 4.350 0.069 0.000 0.193 1112 E C 2.157 178.281 176.600 -0.793 0.000 0.989 1112 E CA 0.548 56.617 56.400 -0.551 0.000 0.800 1112 E CB -0.054 29.239 29.700 -0.680 0.000 0.746 1112 E HN 0.088 nan 8.360 nan 0.000 0.452 1113 V N 1.189 120.467 119.914 -1.061 0.000 2.358 1113 V HA -0.230 3.932 4.120 0.069 0.000 0.246 1113 V C 2.179 178.055 176.094 -0.362 0.000 1.047 1113 V CA 1.604 63.437 62.300 -0.778 0.000 1.035 1113 V CB -0.212 31.148 31.823 -0.770 0.000 0.658 1113 V HN 0.163 nan 8.190 nan 0.000 0.452 1114 R N 0.112 120.426 120.500 -0.310 0.000 2.091 1114 R HA -0.117 4.265 4.340 0.069 0.000 0.238 1114 R C 2.402 178.622 176.300 -0.133 0.000 1.136 1114 R CA 1.625 57.616 56.100 -0.182 0.000 0.959 1114 R CB -0.646 29.559 30.300 -0.158 0.000 0.856 1114 R HN 0.625 nan 8.270 nan 0.000 0.437 1115 A N 0.845 123.578 122.820 -0.145 0.000 1.930 1115 A HA -0.041 4.321 4.320 0.069 0.000 0.217 1115 A C 2.306 179.854 177.584 -0.061 0.000 1.175 1115 A CA 1.469 53.453 52.037 -0.088 0.000 0.627 1115 A CB -0.494 18.458 19.000 -0.079 0.000 0.815 1115 A HN 0.397 nan 8.150 nan 0.000 0.443 1116 A N -0.021 122.751 122.820 -0.081 0.000 1.898 1116 A HA 0.196 4.558 4.320 0.069 0.000 0.216 1116 A C 2.465 180.048 177.584 -0.003 0.000 1.181 1116 A CA 1.855 53.886 52.037 -0.010 0.000 0.620 1116 A CB -0.953 18.066 19.000 0.032 0.000 0.819 1116 A HN 1.038 nan 8.150 nan 0.000 0.442 1117 A N -0.543 122.257 122.820 -0.033 0.000 1.978 1117 A HA -0.155 4.207 4.320 0.069 0.000 0.220 1117 A C 2.241 179.818 177.584 -0.012 0.000 1.170 1117 A CA 1.458 53.484 52.037 -0.018 0.000 0.636 1117 A CB -0.397 18.580 19.000 -0.037 0.000 0.810 1117 A HN 0.403 nan 8.150 nan 0.000 0.448 1118 R N -0.499 119.989 120.500 -0.020 0.000 2.055 1118 R HA -0.012 4.369 4.340 0.069 0.000 0.228 1118 R C 2.551 178.850 176.300 -0.001 0.000 1.143 1118 R CA 1.466 57.558 56.100 -0.013 0.000 0.945 1118 R CB -1.379 28.910 30.300 -0.020 0.000 0.841 1118 R HN 0.486 nan 8.270 nan 0.000 0.429 1119 A N 1.238 124.061 122.820 0.004 0.000 1.948 1119 A HA -0.152 4.209 4.320 0.069 0.000 0.220 1119 A C 2.240 179.836 177.584 0.020 0.000 1.177 1119 A CA 2.150 54.196 52.037 0.015 0.000 0.636 1119 A CB -0.546 18.469 19.000 0.025 0.000 0.815 1119 A HN 0.406 nan 8.150 nan 0.000 0.449 1120 A N -1.817 121.017 122.820 0.022 0.000 2.169 1120 A HA 0.393 4.755 4.320 0.069 0.000 0.212 1120 A C 1.900 179.494 177.584 0.017 0.000 1.153 1120 A CA 1.238 53.290 52.037 0.026 0.000 0.756 1120 A CB -1.019 18.001 19.000 0.035 0.000 0.813 1120 A HN 1.955 nan 8.150 nan 0.000 0.471 1121 G N -0.561 108.245 108.800 0.010 0.000 2.283 1121 G HA2 -0.270 3.731 3.960 0.069 0.000 0.280 1121 G HA3 -0.270 3.731 3.960 0.069 0.000 0.280 1121 G C 0.195 175.098 174.900 0.006 0.000 1.029 1121 G CA 0.815 45.918 45.100 0.006 0.000 0.840 1121 G HN 0.712 nan 8.290 nan 0.000 0.505 1122 R N -1.621 118.884 120.500 0.007 0.000 2.831 1122 R HA 0.638 5.020 4.340 0.069 0.000 0.266 1122 R C -0.812 175.491 176.300 0.005 0.000 1.051 1122 R CA -0.631 55.474 56.100 0.008 0.000 0.943 1122 R CB 1.075 31.384 30.300 0.016 0.000 1.228 1122 R HN 0.144 nan 8.270 nan 0.000 0.467 1123 T N 0.708 115.266 114.554 0.007 0.000 2.771 1123 T HA 0.486 4.877 4.350 0.069 0.000 0.281 1123 T C -0.141 174.568 174.700 0.015 0.000 0.982 1123 T CA -0.729 61.373 62.100 0.004 0.000 0.978 1123 T CB 1.589 70.459 68.868 0.003 0.000 0.930 1123 T HN 0.631 nan 8.240 nan 0.000 0.447 1124 A N 3.771 126.597 122.820 0.010 0.000 2.401 1124 A HA 0.465 4.827 4.320 0.069 0.000 0.259 1124 A C 0.410 178.019 177.584 0.041 0.000 1.103 1124 A CA -0.590 51.464 52.037 0.029 0.000 0.789 1124 A CB 0.174 19.179 19.000 0.008 0.000 1.035 1124 A HN 0.811 nan 8.150 nan 0.000 0.491 1125 R N 1.557 122.101 120.500 0.072 0.000 2.210 1125 R HA 0.431 4.813 4.340 0.069 0.000 0.338 1125 R C -0.333 176.042 176.300 0.125 0.000 1.062 1125 R CA 0.050 56.208 56.100 0.097 0.000 0.902 1125 R CB 0.390 30.759 30.300 0.116 0.000 1.050 1125 R HN 0.776 nan 8.270 nan 0.000 0.461 1126 I N -0.909 119.728 120.570 0.111 0.000 2.646 1126 I HA 0.414 4.626 4.170 0.069 0.000 0.299 1126 I C -0.818 175.403 176.117 0.173 0.000 1.036 1126 I CA -1.045 60.335 61.300 0.132 0.000 1.074 1126 I CB 2.237 40.272 38.000 0.059 0.000 1.258 1126 I HN 0.392 nan 8.210 nan 0.000 0.430 1127 Q N 4.591 124.542 119.800 0.251 0.000 2.331 1127 Q HA 0.504 4.885 4.340 0.069 0.000 0.267 1127 Q C -1.175 175.075 176.000 0.418 0.000 1.006 1127 Q CA -0.998 55.009 55.803 0.340 0.000 0.818 1127 Q CB 2.794 31.747 28.738 0.357 0.000 1.276 1127 Q HN 0.511 nan 8.270 nan 0.000 0.450 1131 D N 3.046 123.202 120.400 -0.406 0.000 2.411 1131 D HA 0.355 5.036 4.640 0.069 0.000 0.225 1131 D C 1.240 177.378 176.300 -0.270 0.000 1.156 1131 D CA 0.675 54.502 54.000 -0.288 0.000 0.874 1131 D CB 0.894 41.584 40.800 -0.185 0.000 1.034 1131 D HN 0.585 nan 8.370 nan 0.000 0.502 1132 T N 0.411 114.816 114.554 -0.249 0.000 3.163 1132 T HA 0.420 4.811 4.350 0.069 0.000 0.252 1132 T C 1.214 175.849 174.700 -0.108 0.000 1.056 1132 T CA 0.176 62.169 62.100 -0.179 0.000 0.947 1132 T CB 0.448 69.226 68.868 -0.150 0.000 1.016 1132 T HN 0.463 nan 8.240 nan 0.000 0.554 1133 G N 0.792 109.528 108.800 -0.107 0.000 2.977 1133 G HA2 -0.148 3.853 3.960 0.069 0.000 0.211 1133 G HA3 -0.148 3.853 3.960 0.069 0.000 0.211 1133 G C 0.500 175.359 174.900 -0.068 0.000 0.994 1133 G CA 0.031 45.090 45.100 -0.069 0.000 0.795 1133 G HN 0.353 nan 8.290 nan 0.000 0.518 1134 L N 2.077 123.248 121.223 -0.087 0.000 2.201 1134 L HA 0.413 4.794 4.340 0.069 0.000 0.212 1134 L C 2.100 178.933 176.870 -0.061 0.000 1.105 1134 L CA 2.465 57.256 54.840 -0.082 0.000 0.775 1134 L CB -0.599 41.402 42.059 -0.096 0.000 0.913 1134 L HN 1.496 nan 8.230 nan 0.000 0.440 1135 G N -0.591 108.171 108.800 -0.063 0.000 2.179 1135 G HA2 -0.408 3.593 3.960 0.069 0.000 0.257 1135 G HA3 -0.408 3.593 3.960 0.069 0.000 0.257 1135 G C 1.012 175.897 174.900 -0.026 0.000 1.010 1135 G CA 0.918 45.992 45.100 -0.043 0.000 0.736 1135 G HN 0.515 nan 8.290 nan 0.000 0.513 1136 R N -0.618 119.863 120.500 -0.030 0.000 1.806 1136 R HA 0.282 4.664 4.340 0.069 0.000 0.156 1136 R C 1.360 177.665 176.300 0.009 0.000 1.954 1136 R CA 0.346 56.445 56.100 -0.002 0.000 1.548 1136 R CB 0.027 30.331 30.300 0.007 0.000 1.149 1136 R HN 0.383 nan 8.270 nan 0.000 0.478 1137 N N -1.229 117.466 118.700 -0.008 0.000 2.681 1137 N HA 0.322 5.104 4.740 0.069 0.000 0.311 1137 N C -0.859 174.603 175.510 -0.080 0.000 1.303 1137 N CA 0.198 53.252 53.050 0.007 0.000 0.926 1137 N CB 1.334 39.847 38.487 0.044 0.000 1.136 1137 N HN 0.532 nan 8.380 nan 0.000 0.592 1138 G N -0.143 108.603 108.800 -0.090 0.000 2.781 1138 G HA2 -0.217 3.784 3.960 0.069 0.000 0.683 1138 G HA3 -0.217 3.784 3.960 0.069 0.000 0.683 1138 G C -0.591 174.271 174.900 -0.063 0.000 1.390 1138 G CA -0.615 44.387 45.100 -0.164 0.000 0.850 1138 G HN 0.727 nan 8.290 nan 0.000 0.557 1139 C N 1.709 120.986 119.300 -0.038 0.000 2.347 1139 C HA 0.648 5.149 4.460 0.069 0.000 0.353 1139 C C 0.808 175.779 174.990 -0.033 0.000 1.273 1139 C CA -0.713 58.342 59.018 0.062 0.000 1.861 1139 C CB 0.299 28.224 27.740 0.308 0.000 2.420 1139 C HN 0.739 nan 8.230 nan 0.000 0.542 1140 Q N 5.299 125.095 119.800 -0.006 0.000 2.392 1140 Q HA 0.139 4.521 4.340 0.069 0.000 0.262 1140 Q C -1.349 174.625 176.000 -0.043 0.000 1.003 1140 Q CA -0.914 54.861 55.803 -0.048 0.000 0.888 1140 Q CB 0.949 29.677 28.738 -0.015 0.000 1.260 1140 Q HN 0.573 nan 8.270 nan 0.000 0.435 1141 P HA -0.190 nan 4.420 nan 0.000 0.217 1141 P C 0.585 177.875 177.300 -0.017 0.000 1.148 1141 P CA 1.847 64.880 63.100 -0.112 0.000 0.834 1141 P CB 0.178 31.798 31.700 -0.132 0.000 0.783 1142 A N -0.618 122.197 122.820 -0.009 0.000 2.168 1142 A HA -0.115 4.247 4.320 0.069 0.000 0.215 1142 A C 1.338 178.941 177.584 0.032 0.000 1.152 1142 A CA 1.358 53.398 52.037 0.004 0.000 0.716 1142 A CB -0.678 18.322 19.000 0.000 0.000 0.794 1142 A HN 0.198 nan 8.150 nan 0.000 0.465 1143 D N -2.468 117.976 120.400 0.073 0.000 2.513 1143 D HA -0.004 4.678 4.640 0.069 0.000 0.222 1143 D C 1.017 177.410 176.300 0.154 0.000 1.210 1143 D CA -0.433 53.619 54.000 0.087 0.000 0.825 1143 D CB -0.241 40.607 40.800 0.079 0.000 1.037 1143 D HN 0.740 nan 8.370 nan 0.000 0.506 1144 W N 2.115 123.355 121.300 -0.100 0.000 2.379 1144 W HA -0.125 4.577 4.660 0.069 0.000 0.307 1144 W C 2.108 178.576 176.519 -0.084 0.000 1.200 1144 W CA 1.399 58.678 57.345 -0.110 0.000 1.297 1144 W CB 0.315 29.671 29.460 -0.173 0.000 1.140 1144 W HN -0.002 nan 8.180 nan 0.000 0.507 1145 A N 0.479 123.254 122.820 -0.073 0.000 1.865 1145 A HA -0.290 4.072 4.320 0.069 0.000 0.217 1145 A C 1.947 179.515 177.584 -0.026 0.000 1.191 1145 A CA 1.973 53.977 52.037 -0.056 0.000 0.623 1145 A CB -1.270 17.711 19.000 -0.031 0.000 0.826 1145 A HN 0.351 nan 8.150 nan 0.000 0.444 1146 E N -0.339 119.846 120.200 -0.024 0.000 2.023 1146 E HA -0.227 4.164 4.350 0.069 0.000 0.196 1146 E C 2.041 178.597 176.600 -0.074 0.000 1.003 1146 E CA 1.777 58.160 56.400 -0.028 0.000 0.809 1146 E CB -0.394 29.302 29.700 -0.006 0.000 0.755 1146 E HN 0.466 nan 8.360 nan 0.000 0.449 1147 L N 0.570 121.735 121.223 -0.097 0.000 2.079 1147 L HA -0.148 4.234 4.340 0.069 0.000 0.210 1147 L C 2.465 179.182 176.870 -0.256 0.000 1.081 1147 L CA 1.110 55.861 54.840 -0.148 0.000 0.752 1147 L CB -0.289 41.702 42.059 -0.113 0.000 0.896 1147 L HN -0.025 nan 8.230 nan 0.000 0.433 1148 V N -0.222 119.465 119.914 -0.378 0.000 2.427 1148 V HA -0.179 3.982 4.120 0.069 0.000 0.248 1148 V C 2.502 178.473 176.094 -0.204 0.000 1.051 1148 V CA 1.746 63.804 62.300 -0.404 0.000 1.048 1148 V CB -1.005 30.538 31.823 -0.467 0.000 0.666 1148 V HN 0.655 nan 8.190 nan 0.000 0.456 1149 G N -0.726 107.997 108.800 -0.129 0.000 2.408 1149 G HA2 -0.172 3.830 3.960 0.069 0.000 0.217 1149 G HA3 -0.172 3.830 3.960 0.069 0.000 0.217 1149 G C 1.712 176.559 174.900 -0.089 0.000 1.150 1149 G CA 0.939 45.987 45.100 -0.086 0.000 0.776 1149 G HN 0.601 nan 8.290 nan 0.000 0.542 1150 A N 0.988 123.749 122.820 -0.098 0.000 1.929 1150 A HA 0.418 4.780 4.320 0.069 0.000 0.216 1150 A C 2.769 180.293 177.584 -0.099 0.000 1.176 1150 A CA 1.867 53.850 52.037 -0.090 0.000 0.628 1150 A CB -0.622 18.325 19.000 -0.089 0.000 0.816 1150 A HN 0.640 nan 8.150 nan 0.000 0.444 1151 A N 0.235 122.982 122.820 -0.121 0.000 1.845 1151 A HA -0.058 4.304 4.320 0.069 0.000 0.215 1151 A C 2.345 179.876 177.584 -0.089 0.000 1.195 1151 A CA 2.450 54.420 52.037 -0.111 0.000 0.616 1151 A CB -1.431 17.489 19.000 -0.132 0.000 0.832 1151 A HN 1.174 nan 8.150 nan 0.000 0.443 1152 V N -2.299 117.558 119.914 -0.094 0.000 2.469 1152 V HA -0.098 4.063 4.120 0.069 0.000 0.251 1152 V C 2.432 178.488 176.094 -0.064 0.000 1.064 1152 V CA 2.098 64.353 62.300 -0.077 0.000 1.066 1152 V CB -1.432 30.339 31.823 -0.086 0.000 0.667 1152 V HN 0.551 nan 8.190 nan 0.000 0.461 1153 A N 0.576 123.357 122.820 -0.066 0.000 1.898 1153 A HA 0.326 4.687 4.320 0.069 0.000 0.214 1153 A C 2.439 179.991 177.584 -0.054 0.000 1.183 1153 A CA 1.671 53.674 52.037 -0.056 0.000 0.622 1153 A CB -0.938 18.029 19.000 -0.055 0.000 0.824 1153 A HN 0.952 nan 8.150 nan 0.000 0.444 1154 A N -0.889 121.893 122.820 -0.063 0.000 2.066 1154 A HA -0.115 4.246 4.320 0.069 0.000 0.218 1154 A C 2.087 179.639 177.584 -0.053 0.000 1.157 1154 A CA 1.556 53.555 52.037 -0.064 0.000 0.670 1154 A CB -0.408 18.543 19.000 -0.081 0.000 0.804 1154 A HN 0.653 nan 8.150 nan 0.000 0.453 1155 Q N -0.586 119.184 119.800 -0.050 0.000 2.083 1155 Q HA -0.025 4.357 4.340 0.069 0.000 0.198 1155 Q C 2.202 178.182 176.000 -0.032 0.000 0.969 1155 Q CA 1.180 56.960 55.803 -0.038 0.000 0.838 1155 Q CB -0.285 28.431 28.738 -0.037 0.000 0.900 1155 Q HN 0.599 nan 8.270 nan 0.000 0.436 1156 A N 1.704 124.503 122.820 -0.035 0.000 1.902 1156 A HA -0.225 4.137 4.320 0.069 0.000 0.217 1156 A C 1.709 179.277 177.584 -0.027 0.000 1.181 1156 A CA 1.663 53.682 52.037 -0.030 0.000 0.623 1156 A CB -0.720 18.260 19.000 -0.032 0.000 0.818 1156 A HN 0.681 nan 8.150 nan 0.000 0.443 1157 E N -0.279 119.902 120.200 -0.031 0.000 2.526 1157 E HA 0.240 4.632 4.350 0.069 0.000 0.198 1157 E C 1.010 177.594 176.600 -0.027 0.000 1.091 1157 E CA 0.478 56.861 56.400 -0.029 0.000 0.880 1157 E CB -0.899 28.781 29.700 -0.034 0.000 0.873 1157 E HN 0.735 nan 8.360 nan 0.000 0.527 1158 G N 0.734 109.519 108.800 -0.025 0.000 2.233 1158 G HA2 -0.373 3.628 3.960 0.069 0.000 0.270 1158 G HA3 -0.373 3.628 3.960 0.069 0.000 0.270 1158 G C 0.806 175.692 174.900 -0.022 0.000 1.011 1158 G CA 0.974 46.062 45.100 -0.020 0.000 0.762 1158 G HN 0.433 nan 8.290 nan 0.000 0.511 1159 T N -1.441 113.095 114.554 -0.031 0.000 3.044 1159 T HA 0.397 4.788 4.350 0.069 0.000 0.255 1159 T C 1.145 175.821 174.700 -0.039 0.000 1.073 1159 T CA 1.775 63.853 62.100 -0.038 0.000 1.125 1159 T CB -0.029 68.808 68.868 -0.051 0.000 0.908 1159 T HN 1.378 nan 8.240 nan 0.000 0.480 1160 V N -0.179 119.712 119.914 -0.038 0.000 3.078 1160 V HA 0.713 4.874 4.120 0.069 0.000 0.311 1160 V C -1.534 174.551 176.094 -0.015 0.000 1.138 1160 V CA -1.115 61.166 62.300 -0.032 0.000 1.007 1160 V CB 2.132 33.922 31.823 -0.054 0.000 1.045 1160 V HN 0.137 nan 8.190 nan 0.000 0.432 1161 Q N 1.962 121.765 119.800 0.005 0.000 2.337 1161 Q HA 0.542 4.924 4.340 0.069 0.000 0.264 1161 Q C -1.381 174.642 176.000 0.040 0.000 1.007 1161 Q CA -0.689 55.125 55.803 0.019 0.000 0.727 1161 Q CB 2.046 30.802 28.738 0.028 0.000 1.256 1161 Q HN 0.924 nan 8.270 nan 0.000 0.467 1162 V N 4.104 124.036 119.914 0.031 0.000 2.420 1162 V HA -0.018 4.144 4.120 0.069 0.000 0.274 1162 V C 1.412 177.557 176.094 0.084 0.000 1.003 1162 V CA 1.118 63.449 62.300 0.053 0.000 1.092 1162 V CB -0.170 31.668 31.823 0.026 0.000 1.002 1162 V HN 0.948 nan 8.190 nan 0.000 0.473 1163 T N 1.028 115.656 114.554 0.123 0.000 3.057 1163 T HA 0.416 4.808 4.350 0.069 0.000 0.254 1163 T C 0.797 175.593 174.700 0.160 0.000 1.094 1163 T CA 0.507 62.697 62.100 0.150 0.000 1.088 1163 T CB 0.489 69.476 68.868 0.198 0.000 0.934 1163 T HN 1.002 nan 8.240 nan 0.000 0.497 1164 G N 0.246 109.154 108.800 0.181 0.000 2.623 1164 G HA2 0.529 4.530 3.960 0.069 0.000 0.290 1164 G HA3 0.529 4.530 3.960 0.069 0.000 0.290 1164 G C -2.021 173.049 174.900 0.283 0.000 1.437 1164 G CA -0.573 44.656 45.100 0.215 0.000 0.798 1164 G HN 0.463 nan 8.290 nan 0.000 0.488 1165 V N 0.030 120.121 119.914 0.296 0.000 2.525 1165 V HA 0.851 5.013 4.120 0.069 0.000 0.299 1165 V C -0.758 175.526 176.094 0.317 0.000 1.034 1165 V CA -0.760 61.734 62.300 0.324 0.000 0.863 1165 V CB 1.132 33.097 31.823 0.236 0.000 0.999 1165 V HN 1.043 nan 8.190 nan 0.000 0.423 1166 W N 2.470 123.701 121.300 -0.115 0.000 3.062 1166 W HA 0.898 5.600 4.660 0.070 0.000 0.336 1166 W C -0.913 175.350 176.519 -0.425 0.000 1.224 1166 W CA -1.138 55.906 57.345 -0.502 0.000 1.159 1166 W CB 1.513 30.278 29.460 -1.160 0.000 1.454 1166 W HN 0.611 nan 8.180 nan 0.000 0.569 1167 S N -0.278 115.024 115.700 -0.663 0.000 2.851 1167 S HA 0.677 5.189 4.470 0.069 0.000 0.313 1167 S C -2.152 172.146 174.600 -0.503 0.000 1.163 1167 S CA -0.308 57.461 58.200 -0.718 0.000 0.850 1167 S CB 1.704 64.462 63.200 -0.737 0.000 1.245 1167 S HN 0.672 nan 8.310 nan 0.000 0.558 1168 H N -0.010 118.712 119.070 -0.580 0.000 3.026 1168 H HA 0.538 5.135 4.556 0.068 0.000 0.352 1168 H C -1.689 173.450 175.328 -0.315 0.000 1.090 1168 H CA -0.662 55.128 56.048 -0.430 0.000 1.268 1168 H CB 0.345 29.940 29.762 -0.278 0.000 1.816 1168 H HN 0.360 nan 8.280 nan 0.000 0.518 1169 F N 2.572 122.227 119.950 -0.490 0.000 2.418 1169 F HA 0.385 4.952 4.527 0.067 0.000 0.341 1169 F C 1.479 177.001 175.800 -0.464 0.000 1.120 1169 F CA 0.420 58.180 58.000 -0.399 0.000 1.232 1169 F CB 0.916 39.758 39.000 -0.263 0.000 1.175 1169 F HN 0.760 nan 8.300 nan 0.000 0.569 1170 A N 1.087 123.855 122.820 -0.086 0.000 1.956 1170 A HA 0.085 4.447 4.320 0.069 0.000 0.212 1170 A C 0.930 178.387 177.584 -0.212 0.000 1.188 1170 A CA 0.605 52.539 52.037 -0.172 0.000 0.675 1170 A CB -0.418 18.490 19.000 -0.153 0.000 0.845 1170 A HN 0.720 nan 8.150 nan 0.000 0.455 1171 C N -0.587 118.542 119.300 -0.285 0.000 2.887 1171 C HA 0.635 5.137 4.460 0.069 0.000 0.240 1171 C C 1.819 176.659 174.990 -0.249 0.000 1.872 1171 C CA -0.682 58.139 59.018 -0.328 0.000 1.626 1171 C CB -0.695 26.619 27.740 -0.710 0.000 3.115 1171 C HN 0.628 nan 8.230 nan 0.000 0.488 1172 A N 1.547 124.252 122.820 -0.192 0.000 2.121 1172 A HA -0.133 4.229 4.320 0.069 0.000 0.218 1172 A C 1.922 179.466 177.584 -0.067 0.000 1.154 1172 A CA 1.835 53.761 52.037 -0.184 0.000 0.679 1172 A CB -0.231 18.728 19.000 -0.067 0.000 0.795 1172 A HN 0.762 nan 8.150 nan 0.000 0.458 1173 D N 0.169 120.555 120.400 -0.024 0.000 2.355 1173 D HA -0.052 4.630 4.640 0.069 0.000 0.218 1173 D C -0.131 176.181 176.300 0.020 0.000 1.004 1173 D CA 0.240 54.257 54.000 0.030 0.000 0.880 1173 D CB -0.209 40.635 40.800 0.074 0.000 0.911 1173 D HN 0.541 nan 8.370 nan 0.000 0.528 1174 E N 2.180 122.378 120.200 -0.004 0.000 2.079 1174 E HA 0.256 4.648 4.350 0.069 0.000 0.252 1174 E C -2.474 174.141 176.600 0.025 0.000 0.992 1174 E CA -2.014 54.404 56.400 0.031 0.000 0.829 1174 E CB 1.072 30.821 29.700 0.083 0.000 1.158 1174 E HN 0.099 nan 8.360 nan 0.000 0.435 1175 P HA -0.061 nan 4.420 nan 0.000 0.261 1175 P C 0.887 178.186 177.300 -0.002 0.000 1.183 1175 P CA 0.890 63.987 63.100 -0.005 0.000 0.761 1175 P CB 0.599 32.298 31.700 -0.001 0.000 0.785 1176 G N 1.836 110.626 108.800 -0.015 0.000 2.213 1176 G HA2 -0.247 3.755 3.960 0.069 0.000 0.236 1176 G HA3 -0.247 3.755 3.960 0.069 0.000 0.236 1176 G C 0.370 175.262 174.900 -0.012 0.000 0.991 1176 G CA -0.303 44.785 45.100 -0.021 0.000 0.629 1176 G HN 0.734 nan 8.290 nan 0.000 0.517 1177 H N 3.231 122.252 119.070 -0.081 0.000 3.125 1177 H HA 0.108 4.706 4.556 0.069 0.000 0.310 1177 H C -0.440 174.835 175.328 -0.089 0.000 0.980 1177 H CA 0.045 56.045 56.048 -0.081 0.000 1.422 1177 H CB 1.420 31.127 29.762 -0.092 0.000 1.432 1177 H HN 0.209 nan 8.280 nan 0.000 0.577 1178 P HA -0.190 nan 4.420 nan 0.000 0.216 1178 P C 1.479 178.842 177.300 0.106 0.000 1.150 1178 P CA 1.771 64.879 63.100 0.014 0.000 0.837 1178 P CB 0.068 31.732 31.700 -0.060 0.000 0.786 1179 S N -0.581 115.308 115.700 0.315 0.000 2.440 1179 S HA -0.158 4.353 4.470 0.069 0.000 0.238 1179 S C 2.023 176.618 174.600 -0.008 0.000 1.010 1179 S CA 0.905 59.182 58.200 0.129 0.000 0.972 1179 S CB -1.591 61.624 63.200 0.025 0.000 0.774 1179 S HN 0.093 nan 8.310 nan 0.000 0.501 1180 I N 2.993 123.519 120.570 -0.073 0.000 2.133 1180 I HA -0.191 4.021 4.170 0.069 0.000 0.238 1180 I C 3.012 179.048 176.117 -0.135 0.000 1.074 1180 I CA 1.590 62.721 61.300 -0.281 0.000 1.342 1180 I CB -0.402 37.373 38.000 -0.375 0.000 1.053 1180 I HN 0.386 nan 8.210 nan 0.000 0.404 1181 R N 1.585 122.052 120.500 -0.056 0.000 2.152 1181 R HA -0.129 4.252 4.340 0.069 0.000 0.232 1181 R C 2.035 178.367 176.300 0.053 0.000 1.117 1181 R CA 1.166 57.271 56.100 0.008 0.000 0.981 1181 R CB -0.825 29.476 30.300 0.002 0.000 0.870 1181 R HN 0.364 nan 8.270 nan 0.000 0.451 1182 L N 1.375 122.623 121.223 0.042 0.000 1.932 1182 L HA -0.202 4.180 4.340 0.069 0.000 0.217 1182 L C 2.826 179.748 176.870 0.085 0.000 1.077 1182 L CA 2.007 56.877 54.840 0.050 0.000 0.765 1182 L CB -0.995 41.084 42.059 0.035 0.000 0.888 1182 L HN 0.317 nan 8.230 nan 0.000 0.433 1183 Q N -0.402 119.466 119.800 0.114 0.000 2.133 1183 Q HA -0.295 4.087 4.340 0.069 0.000 0.208 1183 Q C 2.143 178.286 176.000 0.238 0.000 0.991 1183 Q CA 1.743 57.642 55.803 0.160 0.000 0.867 1183 Q CB -0.405 28.488 28.738 0.259 0.000 0.911 1183 Q HN 0.332 nan 8.270 nan 0.000 0.417 1184 L N 1.135 122.565 121.223 0.345 0.000 2.083 1184 L HA -0.183 4.199 4.340 0.069 0.000 0.209 1184 L C 1.493 178.544 176.870 0.302 0.000 1.083 1184 L CA 1.889 56.965 54.840 0.394 0.000 0.752 1184 L CB -0.340 41.943 42.059 0.373 0.000 0.899 1184 L HN 0.078 nan 8.230 nan 0.000 0.433 1185 D N -0.226 120.286 120.400 0.186 0.000 2.103 1185 D HA -0.053 4.628 4.640 0.069 0.000 0.199 1185 D C 2.196 178.554 176.300 0.097 0.000 0.978 1185 D CA 1.444 55.520 54.000 0.126 0.000 0.829 1185 D CB -0.134 40.712 40.800 0.076 0.000 0.981 1185 D HN 0.460 nan 8.370 nan 0.000 0.464 1186 A N 0.395 123.261 122.820 0.077 0.000 2.019 1186 A HA -0.178 4.184 4.320 0.069 0.000 0.219 1186 A C 1.983 179.576 177.584 0.016 0.000 1.164 1186 A CA 0.796 52.841 52.037 0.014 0.000 0.644 1186 A CB -0.789 18.199 19.000 -0.021 0.000 0.805 1186 A HN 0.207 nan 8.150 nan 0.000 0.449 1187 F N 0.632 120.532 119.950 -0.084 0.000 2.113 1187 F HA -0.076 4.494 4.527 0.071 0.000 0.297 1187 F C 2.297 178.049 175.800 -0.080 0.000 1.103 1187 F CA 1.527 59.443 58.000 -0.141 0.000 1.248 1187 F CB -0.457 38.465 39.000 -0.130 0.000 0.999 1187 F HN 0.133 nan 8.300 nan 0.000 0.475 1188 R N 0.136 120.585 120.500 -0.086 0.000 2.081 1188 R HA -0.162 4.220 4.340 0.069 0.000 0.235 1188 R C 1.872 178.113 176.300 -0.098 0.000 1.131 1188 R CA 1.705 57.734 56.100 -0.117 0.000 0.960 1188 R CB -0.543 29.795 30.300 0.064 0.000 0.856 1188 R HN 0.268 nan 8.270 nan 0.000 0.436 1189 D N 0.072 120.446 120.400 -0.044 0.000 2.178 1189 D HA -0.140 4.542 4.640 0.069 0.000 0.202 1189 D C 1.732 178.037 176.300 0.010 0.000 0.974 1189 D CA 1.190 55.187 54.000 -0.006 0.000 0.841 1189 D CB -0.011 40.788 40.800 -0.002 0.000 0.953 1189 D HN 0.160 nan 8.370 nan 0.000 0.478 1190 M N -0.287 119.264 119.600 -0.082 0.000 2.200 1190 M HA -0.056 4.466 4.480 0.069 0.000 0.265 1190 M C 1.862 178.279 176.300 0.195 0.000 1.066 1190 M CA 0.533 55.802 55.300 -0.052 0.000 1.127 1190 M CB 0.149 32.449 32.600 -0.500 0.000 1.379 1190 M HN -0.034 nan 8.290 nan 0.000 0.420 1191 L N -0.111 121.063 121.223 -0.082 0.000 2.056 1191 L HA -0.077 4.305 4.340 0.069 0.000 0.207 1191 L C 2.416 179.306 176.870 0.034 0.000 1.078 1191 L CA 1.999 56.784 54.840 -0.093 0.000 0.749 1191 L CB -0.834 40.967 42.059 -0.431 0.000 0.901 1191 L HN 0.265 nan 8.230 nan 0.000 0.433 1192 A N -1.078 121.760 122.820 0.030 0.000 1.849 1192 A HA -0.352 4.009 4.320 0.069 0.000 0.217 1192 A C 2.314 179.961 177.584 0.105 0.000 1.202 1192 A CA 2.125 54.196 52.037 0.056 0.000 0.629 1192 A CB -1.490 17.545 19.000 0.058 0.000 0.834 1192 A HN 0.588 nan 8.150 nan 0.000 0.447 1193 Y N 0.676 121.013 120.300 0.062 0.000 2.139 1193 Y HA -0.255 4.337 4.550 0.069 0.000 0.282 1193 Y C 2.627 178.547 175.900 0.033 0.000 1.179 1193 Y CA 1.939 60.082 58.100 0.071 0.000 1.161 1193 Y CB -0.511 38.035 38.460 0.143 0.000 0.970 1193 Y HN 0.319 nan 8.280 nan 0.000 0.511 1194 A N -0.012 122.959 122.820 0.251 0.000 1.929 1194 A HA -0.149 4.213 4.320 0.069 0.000 0.216 1194 A C 2.043 179.597 177.584 -0.050 0.000 1.176 1194 A CA 1.609 53.675 52.037 0.047 0.000 0.628 1194 A CB -0.636 18.434 19.000 0.115 0.000 0.816 1194 A HN 0.634 nan 8.150 nan 0.000 0.444 1195 E N -0.699 119.495 120.200 -0.010 0.000 2.338 1195 E HA -0.132 4.260 4.350 0.069 0.000 0.197 1195 E C 1.364 177.924 176.600 -0.068 0.000 1.007 1195 E CA 0.779 57.161 56.400 -0.028 0.000 0.849 1195 E CB 0.052 29.748 29.700 -0.006 0.000 0.774 1195 E HN 0.296 nan 8.360 nan 0.000 0.506 1196 K N 0.237 120.564 120.400 -0.122 0.000 2.323 1196 K HA 0.030 4.391 4.320 0.069 0.000 0.197 1196 K C 1.162 177.631 176.600 -0.219 0.000 1.043 1196 K CA 0.479 56.670 56.287 -0.161 0.000 0.997 1196 K CB 0.449 32.839 32.500 -0.184 0.000 0.807 1196 K HN -0.134 nan 8.250 nan 0.000 0.497 1197 E N -0.022 120.007 120.200 -0.285 0.000 2.403 1197 E HA 0.190 4.582 4.350 0.069 0.000 0.188 1197 E C 0.042 176.547 176.600 -0.159 0.000 1.056 1197 E CA -0.024 56.216 56.400 -0.267 0.000 0.892 1197 E CB 0.061 29.549 29.700 -0.353 0.000 1.049 1197 E HN 0.316 nan 8.360 nan 0.000 0.465 1198 G N -0.163 108.565 108.800 -0.121 0.000 2.215 1198 G HA2 -0.192 3.809 3.960 0.069 0.000 0.198 1198 G HA3 -0.192 3.809 3.960 0.069 0.000 0.198 1198 G C -0.230 174.631 174.900 -0.065 0.000 1.047 1198 G CA 0.063 45.114 45.100 -0.081 0.000 0.747 1198 G HN 0.093 nan 8.290 nan 0.000 0.495 1199 V N 0.180 120.058 119.914 -0.059 0.000 2.531 1199 V HA 0.637 4.799 4.120 0.069 0.000 0.301 1199 V C -0.760 175.328 176.094 -0.009 0.000 1.034 1199 V CA -0.623 61.656 62.300 -0.034 0.000 0.865 1199 V CB 2.081 33.879 31.823 -0.041 0.000 0.995 1199 V HN 0.325 nan 8.190 nan 0.000 0.424 1200 D N 6.129 126.533 120.400 0.007 0.000 2.438 1200 D HA 0.463 5.144 4.640 0.069 0.000 0.257 1200 D C -2.308 174.019 176.300 0.044 0.000 1.148 1200 D CA -1.401 52.613 54.000 0.023 0.000 0.902 1200 D CB 1.644 42.456 40.800 0.020 0.000 1.062 1200 D HN 0.333 nan 8.370 nan 0.000 0.518 1201 P HA 0.153 nan 4.420 nan 0.000 0.275 1201 P C 0.581 177.938 177.300 0.095 0.000 1.227 1201 P CA -0.207 62.944 63.100 0.085 0.000 0.781 1201 P CB 1.823 33.581 31.700 0.098 0.000 0.906 1202 E N 0.947 121.216 120.200 0.114 0.000 2.047 1202 E HA -0.044 4.348 4.350 0.069 0.000 0.191 1202 E C 0.412 177.085 176.600 0.122 0.000 0.987 1202 E CA 1.038 57.515 56.400 0.129 0.000 0.799 1202 E CB 0.228 30.033 29.700 0.175 0.000 0.752 1202 E HN 0.432 nan 8.360 nan 0.000 0.449 1203 V N -1.210 118.767 119.914 0.105 0.000 2.876 1203 V HA 0.605 4.766 4.120 0.069 0.000 0.312 1203 V C -0.845 175.347 176.094 0.164 0.000 1.085 1203 V CA -1.095 61.245 62.300 0.067 0.000 0.945 1203 V CB 1.971 33.700 31.823 -0.158 0.000 1.017 1203 V HN -0.038 nan 8.190 nan 0.000 0.428 1204 R N 2.232 122.845 120.500 0.188 0.000 2.360 1204 R HA 0.756 5.138 4.340 0.069 0.000 0.318 1204 R C -0.979 175.484 176.300 0.270 0.000 0.950 1204 R CA -0.453 55.768 56.100 0.202 0.000 0.837 1204 R CB 1.429 31.796 30.300 0.113 0.000 1.165 1204 R HN 1.171 nan 8.270 nan 0.000 0.458 1205 H N 0.057 119.144 119.070 0.028 0.000 3.038 1205 H HA 0.451 5.048 4.556 0.069 0.000 0.362 1205 H C -0.550 174.612 175.328 -0.278 0.000 1.167 1205 H CA -0.999 55.011 56.048 -0.063 0.000 1.197 1205 H CB 1.570 31.268 29.762 -0.107 0.000 1.840 1205 H HN 0.513 nan 8.280 nan 0.000 0.540 1206 I N 0.519 120.888 120.570 -0.336 0.000 5.046 1206 I HA 0.465 4.676 4.170 0.069 0.000 0.341 1206 I C -0.017 175.842 176.117 -0.429 0.000 1.257 1206 I CA -0.066 60.830 61.300 -0.673 0.000 1.421 1206 I CB 0.349 37.587 38.000 -1.270 0.000 1.495 1206 I HN 0.777 nan 8.210 nan 0.000 0.518 1207 A N 1.986 124.759 122.820 -0.078 0.000 2.340 1207 A HA 0.491 4.853 4.320 0.069 0.000 0.268 1207 A C -0.238 177.427 177.584 0.136 0.000 1.100 1207 A CA -0.225 51.876 52.037 0.108 0.000 0.803 1207 A CB 0.197 19.367 19.000 0.283 0.000 1.043 1207 A HN 0.596 nan 8.150 nan 0.000 0.488 1208 N N 0.341 119.166 118.700 0.209 0.000 3.061 1208 N HA 0.307 5.088 4.740 0.069 0.000 0.346 1208 N C 0.811 176.429 175.510 0.180 0.000 1.392 1208 N CA -0.078 53.097 53.050 0.209 0.000 0.762 1208 N CB -0.119 38.550 38.487 0.302 0.000 1.367 1208 N HN 0.279 nan 8.380 nan 0.000 0.607 1209 S N 0.292 116.099 115.700 0.178 0.000 2.353 1209 S HA -0.045 4.467 4.470 0.069 0.000 0.222 1209 S C -1.034 173.646 174.600 0.133 0.000 1.035 1209 S CA 1.797 60.076 58.200 0.131 0.000 1.025 1209 S CB -1.025 62.253 63.200 0.130 0.000 0.902 1209 S HN 0.670 nan 8.310 nan 0.000 0.440 1210 P HA 0.013 nan 4.420 nan 0.000 0.215 1210 P C 1.317 178.690 177.300 0.123 0.000 1.157 1210 P CA 1.470 64.645 63.100 0.125 0.000 0.859 1210 P CB -0.182 31.591 31.700 0.122 0.000 0.786 1211 A N -0.050 122.872 122.820 0.171 0.000 1.908 1211 A HA -0.161 4.201 4.320 0.069 0.000 0.218 1211 A C 2.399 180.123 177.584 0.234 0.000 1.181 1211 A CA 2.584 54.748 52.037 0.211 0.000 0.627 1211 A CB -2.008 17.255 19.000 0.439 0.000 0.818 1211 A HN 0.189 nan 8.150 nan 0.000 0.445 1212 T N 0.581 115.275 114.554 0.234 0.000 2.684 1212 T HA -0.117 4.275 4.350 0.069 0.000 0.267 1212 T C 1.689 176.537 174.700 0.247 0.000 1.036 1212 T CA 1.639 63.893 62.100 0.257 0.000 1.148 1212 T CB -0.426 68.493 68.868 0.086 0.000 0.863 1212 T HN 0.387 nan 8.240 nan 0.000 0.436 1213 L N 1.172 122.481 121.223 0.142 0.000 2.456 1213 L HA -0.016 4.366 4.340 0.069 0.000 0.224 1213 L C 2.601 179.527 176.870 0.092 0.000 1.148 1213 L CA 1.177 56.079 54.840 0.103 0.000 0.825 1213 L CB -0.679 41.422 42.059 0.068 0.000 0.937 1213 L HN 0.485 nan 8.230 nan 0.000 0.450 1214 T N -4.514 110.097 114.554 0.094 0.000 3.058 1214 T HA 0.219 4.611 4.350 0.069 0.000 0.247 1214 T C 0.507 175.216 174.700 0.015 0.000 0.987 1214 T CA -0.203 61.924 62.100 0.045 0.000 1.062 1214 T CB 0.396 69.277 68.868 0.022 0.000 1.048 1214 T HN -0.156 nan 8.240 nan 0.000 0.468 1215 L N 3.519 124.756 121.223 0.023 0.000 2.345 1215 L HA 0.471 4.853 4.340 0.069 0.000 0.274 1215 L C -1.992 174.738 176.870 -0.233 0.000 0.999 1215 L CA -2.665 52.142 54.840 -0.055 0.000 0.849 1215 L CB 1.132 43.180 42.059 -0.019 0.000 1.220 1215 L HN -0.016 nan 8.230 nan 0.000 0.422 1216 P HA -0.141 nan 4.420 nan 0.000 0.221 1216 P C 0.853 177.830 177.300 -0.539 0.000 1.150 1216 P CA 0.982 63.592 63.100 -0.817 0.000 0.800 1216 P CB 0.339 31.808 31.700 -0.384 0.000 0.787 1217 E N 0.433 120.461 120.200 -0.287 0.000 2.515 1217 E HA -0.092 4.300 4.350 0.069 0.000 0.201 1217 E C 0.975 177.430 176.600 -0.242 0.000 1.071 1217 E CA 1.344 57.606 56.400 -0.230 0.000 0.880 1217 E CB -1.023 28.605 29.700 -0.119 0.000 0.828 1217 E HN 0.315 nan 8.360 nan 0.000 0.540 1218 T N -2.732 111.742 114.554 -0.133 0.000 3.084 1218 T HA 0.119 4.510 4.350 0.069 0.000 0.270 1218 T C 0.970 175.869 174.700 0.331 0.000 1.008 1218 T CA -0.358 61.842 62.100 0.166 0.000 0.900 1218 T CB -0.075 69.021 68.868 0.381 0.000 1.084 1218 T HN 0.037 nan 8.240 nan 0.000 0.538 1219 H N 0.890 119.982 119.070 0.037 0.000 2.363 1219 H HA 0.295 4.893 4.556 0.070 0.000 0.301 1219 H C 0.893 176.366 175.328 0.241 0.000 1.074 1219 H CA 0.089 56.206 56.048 0.114 0.000 1.354 1219 H CB -0.504 29.283 29.762 0.042 0.000 1.397 1219 H HN 0.373 nan 8.280 nan 0.000 0.516 1220 F N 0.085 120.176 119.950 0.234 0.000 2.216 1220 F HA -0.410 4.158 4.527 0.068 0.000 0.313 1220 F C 1.785 177.671 175.800 0.144 0.000 1.030 1220 F CA 1.728 59.839 58.000 0.185 0.000 0.956 1220 F CB -0.853 38.286 39.000 0.232 0.000 4.025 1220 F HN 0.176 nan 8.300 nan 0.000 0.164 1221 D N 0.261 120.886 120.400 0.375 0.000 2.301 1221 D HA 0.229 4.911 4.640 0.069 0.000 0.206 1221 D C 0.388 176.748 176.300 0.099 0.000 0.979 1221 D CA 0.992 55.107 54.000 0.192 0.000 0.874 1221 D CB 0.519 41.410 40.800 0.153 0.000 0.968 1221 D HN 0.193 nan 8.370 nan 0.000 0.510 1222 L N 0.455 121.733 121.223 0.092 0.000 2.424 1222 L HA 0.388 4.770 4.340 0.069 0.000 0.258 1222 L C -1.636 175.239 176.870 0.007 0.000 0.995 1222 L CA -0.977 53.829 54.840 -0.056 0.000 0.821 1222 L CB 2.710 44.556 42.059 -0.353 0.000 1.383 1222 L HN -0.197 nan 8.230 nan 0.000 0.410 1223 V N 0.105 119.984 119.914 -0.058 0.000 2.638 1223 V HA 0.622 4.784 4.120 0.069 0.000 0.306 1223 V C -0.892 175.176 176.094 -0.043 0.000 1.052 1223 V CA -0.754 61.532 62.300 -0.022 0.000 0.885 1223 V CB 1.841 33.614 31.823 -0.083 0.000 0.999 1223 V HN 0.759 nan 8.190 nan 0.000 0.424 1224 R N 3.104 123.604 120.500 -0.001 0.000 2.280 1224 R HA 0.511 4.892 4.340 0.069 0.000 0.326 1224 R C -0.047 176.284 176.300 0.051 0.000 1.080 1224 R CA -0.143 55.963 56.100 0.010 0.000 1.002 1224 R CB 1.185 31.482 30.300 -0.004 0.000 1.136 1224 R HN 0.963 nan 8.270 nan 0.000 0.509 1225 T N -0.902 113.667 114.554 0.024 0.000 2.767 1225 T HA 0.502 4.893 4.350 0.069 0.000 0.284 1225 T C 0.753 175.442 174.700 -0.019 0.000 0.973 1225 T CA -0.680 61.424 62.100 0.007 0.000 0.996 1225 T CB 2.043 70.880 68.868 -0.052 0.000 0.927 1225 T HN 0.518 nan 8.240 nan 0.000 0.456 1226 G N 1.779 110.588 108.800 0.014 0.000 2.508 1226 G HA2 0.262 4.263 3.960 0.069 0.000 0.217 1226 G HA3 0.262 4.263 3.960 0.069 0.000 0.217 1226 G C 0.920 175.594 174.900 -0.376 0.000 2.004 1226 G CA -0.187 44.868 45.100 -0.074 0.000 0.750 1226 G HN 0.646 nan 8.290 nan 0.000 0.730 1227 L N 1.685 122.767 121.223 -0.234 0.000 2.051 1227 L HA -0.083 4.298 4.340 0.069 0.000 0.214 1227 L C 2.970 179.712 176.870 -0.212 0.000 1.076 1227 L CA 2.601 57.298 54.840 -0.238 0.000 0.758 1227 L CB -0.478 41.432 42.059 -0.248 0.000 0.890 1227 L HN 0.321 nan 8.230 nan 0.000 0.433 1228 A N -1.768 120.947 122.820 -0.175 0.000 2.125 1228 A HA -0.109 4.253 4.320 0.069 0.000 0.219 1228 A C 2.222 179.652 177.584 -0.256 0.000 1.156 1228 A CA 1.489 53.435 52.037 -0.152 0.000 0.671 1228 A CB -0.854 18.096 19.000 -0.083 0.000 0.794 1228 A HN 0.314 nan 8.150 nan 0.000 0.459 1229 V N -1.559 118.068 119.914 -0.478 0.000 2.759 1229 V HA -0.215 3.946 4.120 0.069 0.000 0.256 1229 V C 1.601 177.271 176.094 -0.706 0.000 1.080 1229 V CA 1.410 63.319 62.300 -0.651 0.000 1.101 1229 V CB -0.944 30.319 31.823 -0.935 0.000 0.698 1229 V HN 0.767 nan 8.190 nan 0.000 0.477 1230 Y N -0.152 119.990 120.300 -0.263 0.000 2.493 1230 Y HA 0.478 5.052 4.550 0.041 0.000 0.275 1230 Y C 1.723 177.557 175.900 -0.109 0.000 1.183 1230 Y CA 0.259 58.206 58.100 -0.255 0.000 1.258 1230 Y CB 0.035 38.199 38.460 -0.493 0.000 1.108 1230 Y HN 0.255 nan 8.280 nan 0.000 0.521 1231 G N 0.981 109.765 108.800 -0.027 0.000 2.246 1231 G HA2 -0.234 3.767 3.960 0.069 0.000 0.273 1231 G HA3 -0.234 3.767 3.960 0.069 0.000 0.273 1231 G C -0.601 174.312 174.900 0.022 0.000 1.055 1231 G CA 0.246 45.349 45.100 0.004 0.000 0.851 1231 G HN 0.181 nan 8.290 nan 0.000 0.500 1232 V N 0.129 120.043 119.914 -0.001 0.000 2.531 1232 V HA 0.702 4.863 4.120 0.069 0.000 0.301 1232 V C 0.662 176.732 176.094 -0.039 0.000 1.034 1232 V CA -0.297 61.999 62.300 -0.006 0.000 0.865 1232 V CB 1.785 33.602 31.823 -0.009 0.000 0.995 1232 V HN 0.810 nan 8.190 nan 0.000 0.424 1233 S N 5.711 121.403 115.700 -0.012 0.000 2.549 1233 S HA 0.297 4.809 4.470 0.069 0.000 0.279 1233 S C -1.206 173.393 174.600 -0.002 0.000 1.321 1233 S CA -0.791 57.409 58.200 0.000 0.000 1.054 1233 S CB 1.281 64.495 63.200 0.022 0.000 0.899 1233 S HN 0.590 nan 8.310 nan 0.000 0.497 1234 P HA -0.041 nan 4.420 nan 0.000 0.216 1234 P C 0.167 177.574 177.300 0.180 0.000 1.153 1234 P CA 1.082 64.258 63.100 0.127 0.000 0.858 1234 P CB 0.070 31.895 31.700 0.208 0.000 0.789 1235 S N -4.670 111.101 115.700 0.118 0.000 2.570 1235 S HA 0.460 4.971 4.470 0.069 0.000 0.270 1235 S C -2.602 172.040 174.600 0.070 0.000 1.149 1235 S CA -1.435 56.828 58.200 0.106 0.000 0.837 1235 S CB 1.449 64.711 63.200 0.105 0.000 1.124 1235 S HN -0.283 nan 8.310 nan 0.000 0.465 1236 P HA 0.044 nan 4.420 nan 0.000 0.220 1236 P C 0.712 178.035 177.300 0.039 0.000 1.148 1236 P CA 1.072 64.200 63.100 0.046 0.000 0.803 1236 P CB -0.026 31.700 31.700 0.044 0.000 0.782 1237 E N -0.974 119.250 120.200 0.040 0.000 2.338 1237 E HA -0.086 4.306 4.350 0.069 0.000 0.197 1237 E C 1.393 178.011 176.600 0.030 0.000 1.007 1237 E CA 0.722 57.141 56.400 0.032 0.000 0.849 1237 E CB -0.582 29.137 29.700 0.032 0.000 0.774 1237 E HN 0.249 nan 8.360 nan 0.000 0.506 1238 L N -1.249 119.996 121.223 0.037 0.000 2.513 1238 L HA 0.301 4.682 4.340 0.069 0.000 0.222 1238 L C 0.968 177.857 176.870 0.030 0.000 1.096 1238 L CA 0.412 55.273 54.840 0.035 0.000 0.857 1238 L CB 0.594 42.680 42.059 0.045 0.000 1.026 1238 L HN 0.163 nan 8.230 nan 0.000 0.469 1239 G N -0.835 107.984 108.800 0.031 0.000 2.354 1239 G HA2 0.059 4.060 3.960 0.069 0.000 0.582 1239 G HA3 0.059 4.060 3.960 0.069 0.000 0.582 1239 G C -0.482 174.435 174.900 0.028 0.000 1.316 1239 G CA -0.479 44.637 45.100 0.026 0.000 0.995 1239 G HN 0.062 nan 8.290 nan 0.000 0.573 1240 T N -1.341 113.228 114.554 0.024 0.000 2.918 1240 T HA 0.694 5.085 4.350 0.069 0.000 0.283 1240 T C -1.232 173.482 174.700 0.022 0.000 1.001 1240 T CA -0.935 61.180 62.100 0.025 0.000 1.041 1240 T CB 2.120 71.003 68.868 0.024 0.000 1.028 1240 T HN 0.259 nan 8.240 nan 0.000 0.511 1241 P HA -0.094 nan 4.420 nan 0.000 0.217 1241 P C 1.620 178.930 177.300 0.016 0.000 1.148 1241 P CA 1.567 64.678 63.100 0.017 0.000 0.828 1241 P CB -0.310 31.403 31.700 0.022 0.000 0.783 1242 A N -0.101 122.730 122.820 0.019 0.000 1.883 1242 A HA -0.278 4.084 4.320 0.069 0.000 0.217 1242 A C 2.219 179.812 177.584 0.015 0.000 1.186 1242 A CA 1.814 53.861 52.037 0.017 0.000 0.624 1242 A CB -1.380 17.631 19.000 0.018 0.000 0.822 1242 A HN 0.234 nan 8.150 nan 0.000 0.444 1243 Q N -1.175 118.634 119.800 0.016 0.000 2.224 1243 Q HA -0.016 4.366 4.340 0.069 0.000 0.203 1243 Q C 1.501 177.510 176.000 0.015 0.000 0.970 1243 Q CA 0.762 56.574 55.803 0.015 0.000 0.865 1243 Q CB -0.148 28.600 28.738 0.016 0.000 0.922 1243 Q HN 0.443 nan 8.270 nan 0.000 0.445 1244 L N -0.905 120.327 121.223 0.015 0.000 2.492 1244 L HA 0.127 4.509 4.340 0.069 0.000 0.223 1244 L C 1.384 178.260 176.870 0.010 0.000 1.132 1244 L CA 1.606 56.455 54.840 0.014 0.000 0.850 1244 L CB -0.554 41.512 42.059 0.013 0.000 0.966 1244 L HN 0.406 nan 8.230 nan 0.000 0.454 1245 G N -1.157 107.649 108.800 0.009 0.000 2.157 1245 G HA2 -0.235 3.767 3.960 0.069 0.000 0.248 1245 G HA3 -0.235 3.767 3.960 0.069 0.000 0.248 1245 G C 0.130 175.032 174.900 0.002 0.000 0.979 1245 G CA 0.070 45.174 45.100 0.007 0.000 0.650 1245 G HN 0.159 nan 8.290 nan 0.000 0.529 1246 L N 0.081 121.305 121.223 0.001 0.000 2.375 1246 L HA 0.736 5.118 4.340 0.069 0.000 0.271 1246 L C 0.774 177.647 176.870 0.006 0.000 1.107 1246 L CA -0.843 53.993 54.840 -0.006 0.000 0.806 1246 L CB 1.413 43.464 42.059 -0.014 0.000 1.146 1246 L HN 0.344 nan 8.230 nan 0.000 0.447 1247 R N 3.232 123.736 120.500 0.007 0.000 2.437 1247 R HA 0.520 4.901 4.340 0.069 0.000 0.310 1247 R C -2.530 173.794 176.300 0.039 0.000 0.955 1247 R CA -1.695 54.419 56.100 0.023 0.000 0.851 1247 R CB 1.613 31.928 30.300 0.024 0.000 1.161 1247 R HN 0.331 nan 8.270 nan 0.000 0.446 1248 P HA -0.018 nan 4.420 nan 0.000 0.264 1248 P C -0.665 176.698 177.300 0.105 0.000 1.183 1248 P CA 0.375 63.523 63.100 0.081 0.000 0.763 1248 P CB 1.262 33.004 31.700 0.069 0.000 0.807 1249 A N 4.066 126.990 122.820 0.172 0.000 2.014 1249 A HA 0.128 4.490 4.320 0.069 0.000 0.210 1249 A C 0.945 178.637 177.584 0.180 0.000 1.188 1249 A CA 0.622 52.787 52.037 0.213 0.000 0.731 1249 A CB -0.269 18.927 19.000 0.326 0.000 0.858 1249 A HN 0.578 nan 8.150 nan 0.000 0.464 1250 M N 1.080 120.761 119.600 0.135 0.000 2.336 1250 M HA 0.496 5.018 4.480 0.069 0.000 0.342 1250 M C -1.639 174.632 176.300 -0.048 0.000 1.128 1250 M CA 0.066 55.336 55.300 -0.050 0.000 1.016 1250 M CB 1.697 34.103 32.600 -0.323 0.000 1.665 1250 M HN 0.051 nan 8.290 nan 0.000 0.445 1251 T N 5.647 120.156 114.554 -0.075 0.000 2.847 1251 T HA 0.469 4.860 4.350 0.069 0.000 0.291 1251 T C -1.127 173.482 174.700 -0.152 0.000 0.998 1251 T CA -0.561 61.493 62.100 -0.078 0.000 0.967 1251 T CB 1.242 70.086 68.868 -0.040 0.000 0.954 1251 T HN 0.654 nan 8.240 nan 0.000 0.441 1252 L N 5.487 126.603 121.223 -0.178 0.000 2.272 1252 L HA 0.655 5.036 4.340 0.069 0.000 0.289 1252 L C -0.066 176.640 176.870 -0.273 0.000 1.032 1252 L CA -0.168 54.519 54.840 -0.254 0.000 0.810 1252 L CB 0.266 42.178 42.059 -0.245 0.000 1.205 1252 L HN 0.633 nan 8.230 nan 0.000 0.422 1253 R N 4.375 124.611 120.500 -0.440 0.000 2.888 1253 R HA 1.025 5.407 4.340 0.069 0.000 0.266 1253 R C -1.333 174.734 176.300 -0.389 0.000 1.020 1253 R CA -0.997 54.874 56.100 -0.382 0.000 0.963 1253 R CB 1.571 31.643 30.300 -0.380 0.000 1.197 1253 R HN 0.636 nan 8.270 nan 0.000 0.481 1254 A N 0.659 123.354 122.820 -0.207 0.000 2.594 1254 A HA 0.688 5.049 4.320 0.069 0.000 0.291 1254 A C -1.203 176.338 177.584 -0.072 0.000 1.105 1254 A CA -0.843 51.116 52.037 -0.130 0.000 0.694 1254 A CB 2.212 21.149 19.000 -0.104 0.000 1.291 1254 A HN 0.588 nan 8.150 nan 0.000 0.410 1255 S N 0.387 116.060 115.700 -0.045 0.000 2.472 1255 S HA 0.590 5.101 4.470 0.069 0.000 0.303 1255 S C -0.208 174.358 174.600 -0.056 0.000 1.099 1255 S CA -0.533 57.647 58.200 -0.032 0.000 1.077 1255 S CB 0.918 64.116 63.200 -0.003 0.000 1.031 1255 S HN 0.546 nan 8.310 nan 0.000 0.487 1256 L N 2.099 123.287 121.223 -0.059 0.000 2.456 1256 L HA 0.220 4.601 4.340 0.069 0.000 0.272 1256 L C 1.193 178.026 176.870 -0.062 0.000 1.189 1256 L CA -0.273 54.522 54.840 -0.076 0.000 0.846 1256 L CB 0.373 42.393 42.059 -0.066 0.000 1.111 1256 L HN 0.898 nan 8.230 nan 0.000 0.475 1257 A N 3.965 126.741 122.820 -0.074 0.000 2.252 1257 A HA 0.443 4.805 4.320 0.069 0.000 0.213 1257 A C 0.028 177.583 177.584 -0.048 0.000 1.188 1257 A CA 0.224 52.227 52.037 -0.056 0.000 0.863 1257 A CB 0.437 19.400 19.000 -0.062 0.000 0.893 1257 A HN 0.506 nan 8.150 nan 0.000 0.495 1258 L N -1.528 119.663 121.223 -0.053 0.000 2.789 1258 L HA 0.466 4.848 4.340 0.069 0.000 0.254 1258 L C -2.131 174.717 176.870 -0.037 0.000 0.952 1258 L CA -0.248 54.568 54.840 -0.040 0.000 0.942 1258 L CB 2.072 44.106 42.059 -0.041 0.000 1.502 1258 L HN -0.086 nan 8.230 nan 0.000 0.425 1259 V N 4.159 124.062 119.914 -0.018 0.000 2.488 1259 V HA 0.617 4.779 4.120 0.069 0.000 0.293 1259 V C -0.583 175.520 176.094 0.016 0.000 1.027 1259 V CA -0.638 61.666 62.300 0.005 0.000 0.862 1259 V CB 1.448 33.283 31.823 0.020 0.000 1.008 1259 V HN 0.789 nan 8.190 nan 0.000 0.428 1260 K N 1.745 122.145 120.400 0.000 0.000 2.349 1260 K HA 0.820 5.182 4.320 0.069 0.000 0.243 1260 K C -0.984 175.565 176.600 -0.084 0.000 1.058 1260 K CA -0.744 55.523 56.287 -0.034 0.000 0.871 1260 K CB 2.397 34.861 32.500 -0.059 0.000 1.337 1260 K HN 0.365 nan 8.250 nan 0.000 0.469 1261 T N 1.098 115.567 114.554 -0.141 0.000 2.807 1261 T HA 0.433 4.825 4.350 0.069 0.000 0.279 1261 T C -0.609 173.980 174.700 -0.184 0.000 0.993 1261 T CA -0.759 61.202 62.100 -0.231 0.000 0.970 1261 T CB 1.251 69.958 68.868 -0.269 0.000 0.950 1261 T HN 0.533 nan 8.240 nan 0.000 0.441 1262 V N 1.679 121.481 119.914 -0.187 0.000 2.914 1262 V HA 0.856 5.018 4.120 0.069 0.000 0.314 1262 V C -2.807 173.215 176.094 -0.120 0.000 1.084 1262 V CA -3.007 59.172 62.300 -0.202 0.000 0.963 1262 V CB 1.987 33.605 31.823 -0.342 0.000 1.025 1262 V HN 0.573 nan 8.190 nan 0.000 0.432 1263 P HA 0.289 nan 4.420 nan 0.000 0.273 1263 P C -0.148 177.153 177.300 0.001 0.000 1.250 1263 P CA 0.090 63.175 63.100 -0.024 0.000 0.793 1263 P CB 0.658 32.362 31.700 0.006 0.000 1.011 1264 A N 0.278 123.094 122.820 -0.007 0.000 2.445 1264 A HA 0.463 4.825 4.320 0.069 0.000 0.242 1264 A C 1.336 178.914 177.584 -0.010 0.000 1.075 1264 A CA 0.519 52.549 52.037 -0.011 0.000 0.777 1264 A CB -1.350 17.639 19.000 -0.019 0.000 1.013 1264 A HN 0.891 nan 8.150 nan 0.000 0.493 1265 G N 0.238 109.018 108.800 -0.033 0.000 2.136 1265 G HA2 -0.202 3.799 3.960 0.069 0.000 0.242 1265 G HA3 -0.202 3.799 3.960 0.069 0.000 0.242 1265 G C 0.148 175.006 174.900 -0.071 0.000 0.989 1265 G CA 0.436 45.498 45.100 -0.063 0.000 0.682 1265 G HN 1.251 nan 8.290 nan 0.000 0.522 1266 H N 0.804 119.801 119.070 -0.122 0.000 2.527 1266 H HA 0.538 5.135 4.556 0.069 0.000 0.321 1266 H C 0.968 176.188 175.328 -0.180 0.000 1.087 1266 H CA 0.533 56.501 56.048 -0.132 0.000 1.337 1266 H CB 1.016 30.735 29.762 -0.072 0.000 1.440 1266 H HN 0.335 nan 8.280 nan 0.000 0.490 1267 G N 3.177 111.659 108.800 -0.530 0.000 2.467 1267 G HA2 0.388 4.389 3.960 0.069 0.000 0.257 1267 G HA3 0.388 4.389 3.960 0.069 0.000 0.257 1267 G C -0.740 174.186 174.900 0.043 0.000 1.227 1267 G CA -0.396 44.382 45.100 -0.538 0.000 0.835 1267 G HN 0.460 nan 8.290 nan 0.000 0.556 1268 V N 1.247 121.330 119.914 0.282 0.000 2.656 1268 V HA 0.680 4.842 4.120 0.069 0.000 0.307 1268 V C 0.491 176.777 176.094 0.320 0.000 1.051 1268 V CA -0.197 62.314 62.300 0.351 0.000 0.893 1268 V CB 1.109 33.179 31.823 0.412 0.000 0.999 1268 V HN 1.303 nan 8.190 nan 0.000 0.426 1269 S N 1.862 117.669 115.700 0.178 0.000 3.769 1269 S HA -0.172 4.340 4.470 0.069 0.000 0.656 1269 S C -0.625 173.996 174.600 0.035 0.000 1.960 1269 S CA -0.059 58.158 58.200 0.029 0.000 2.104 1269 S CB -0.534 62.727 63.200 0.101 0.000 0.328 1269 S HN 0.673 nan 8.310 nan 0.000 1.640 1270 Y N 1.322 121.695 120.300 0.121 0.000 2.805 1270 Y HA 0.277 4.868 4.550 0.069 0.000 0.337 1270 Y C 1.897 177.860 175.900 0.105 0.000 1.252 1270 Y CA 1.065 59.207 58.100 0.070 0.000 1.515 1270 Y CB -0.352 38.176 38.460 0.113 0.000 1.305 1270 Y HN 1.321 nan 8.280 nan 0.000 0.600 1271 G N 1.304 110.166 108.800 0.104 0.000 2.205 1271 G HA2 -0.419 3.583 3.960 0.069 0.000 0.269 1271 G HA3 -0.419 3.583 3.960 0.069 0.000 0.269 1271 G C 0.198 174.866 174.900 -0.386 0.000 0.977 1271 G CA 0.532 45.534 45.100 -0.164 0.000 0.652 1271 G HN 1.125 nan 8.290 nan 0.000 0.539 1272 H N -1.660 117.354 119.070 -0.094 0.000 2.557 1272 H HA -0.225 4.372 4.556 0.069 0.000 0.319 1272 H C 1.006 176.267 175.328 -0.112 0.000 1.102 1272 H CA 0.514 56.522 56.048 -0.067 0.000 1.126 1272 H CB -1.047 28.662 29.762 -0.088 0.000 1.498 1272 H HN 0.793 nan 8.280 nan 0.000 0.411 1273 H N -0.622 118.588 119.070 0.232 0.000 2.607 1273 H HA 0.176 4.774 4.556 0.070 0.000 0.288 1273 H C -0.298 175.176 175.328 0.244 0.000 1.058 1273 H CA 0.634 56.795 56.048 0.188 0.000 1.178 1273 H CB 0.191 30.046 29.762 0.155 0.000 1.340 1273 H HN 0.463 nan 8.280 nan 0.000 0.591 1274 Y N -0.222 120.168 120.300 0.152 0.000 2.376 1274 Y HA 0.364 4.956 4.550 0.071 0.000 0.321 1274 Y C -1.964 173.973 175.900 0.061 0.000 1.189 1274 Y CA -1.200 56.964 58.100 0.106 0.000 1.069 1274 Y CB 0.995 39.526 38.460 0.118 0.000 1.292 1274 Y HN -0.206 nan 8.280 nan 0.000 0.430 1275 V N 4.470 124.040 119.914 -0.574 0.000 2.487 1275 V HA 0.400 4.562 4.120 0.069 0.000 0.298 1275 V C -0.147 175.584 176.094 -0.606 0.000 1.028 1275 V CA -0.669 61.369 62.300 -0.436 0.000 0.860 1275 V CB 1.840 33.509 31.823 -0.255 0.000 0.991 1275 V HN 0.841 nan 8.190 nan 0.000 0.427 1276 T N 0.264 114.622 114.554 -0.326 0.000 2.867 1276 T HA 0.113 4.504 4.350 0.069 0.000 0.297 1276 T C 0.810 175.424 174.700 -0.144 0.000 0.989 1276 T CA -0.068 61.924 62.100 -0.180 0.000 1.159 1276 T CB 0.922 69.792 68.868 0.004 0.000 0.928 1276 T HN 0.729 nan 8.240 nan 0.000 0.538 1277 E N 2.048 122.178 120.200 -0.117 0.000 2.107 1277 E HA 0.034 4.426 4.350 0.069 0.000 0.191 1277 E C 0.761 177.339 176.600 -0.036 0.000 0.982 1277 E CA 0.972 57.328 56.400 -0.073 0.000 0.809 1277 E CB 0.236 29.910 29.700 -0.043 0.000 0.756 1277 E HN 0.917 nan 8.360 nan 0.000 0.459 1278 S N -1.051 114.640 115.700 -0.016 0.000 2.579 1278 S HA 0.238 4.750 4.470 0.069 0.000 0.272 1278 S C -0.726 173.870 174.600 -0.007 0.000 1.141 1278 S CA -1.120 57.075 58.200 -0.008 0.000 0.843 1278 S CB 1.415 64.617 63.200 0.003 0.000 1.122 1278 S HN 0.103 nan 8.310 nan 0.000 0.468 1279 E N 0.554 120.744 120.200 -0.017 0.000 2.694 1279 E HA 0.193 4.584 4.350 0.069 0.000 0.250 1279 E C -0.252 176.323 176.600 -0.043 0.000 0.963 1279 E CA 0.617 56.994 56.400 -0.039 0.000 0.949 1279 E CB 0.232 29.903 29.700 -0.048 0.000 0.911 1279 E HN 0.621 nan 8.360 nan 0.000 0.500 1280 T N 2.970 117.487 114.554 -0.062 0.000 2.654 1280 T HA 0.318 4.710 4.350 0.069 0.000 0.289 1280 T C -1.611 173.007 174.700 -0.138 0.000 1.062 1280 T CA -0.662 61.415 62.100 -0.038 0.000 1.041 1280 T CB 0.730 69.634 68.868 0.061 0.000 1.417 1280 T HN 0.554 nan 8.240 nan 0.000 0.510 1281 H N 0.691 119.765 119.070 0.007 0.000 2.556 1281 H HA 0.592 5.190 4.556 0.070 0.000 0.310 1281 H C -0.644 174.682 175.328 -0.004 0.000 1.057 1281 H CA -0.265 55.779 56.048 -0.006 0.000 1.264 1281 H CB 0.750 30.508 29.762 -0.007 0.000 1.404 1281 H HN 0.216 nan 8.280 nan 0.000 0.462 1282 L N 3.066 124.330 121.223 0.068 0.000 2.298 1282 L HA 0.585 4.966 4.340 0.069 0.000 0.284 1282 L C 0.096 176.969 176.870 0.004 0.000 1.013 1282 L CA -0.793 54.067 54.840 0.032 0.000 0.824 1282 L CB 1.191 43.255 42.059 0.008 0.000 1.221 1282 L HN 0.653 nan 8.230 nan 0.000 0.418 1283 A N 3.929 126.739 122.820 -0.017 0.000 2.279 1283 A HA 0.735 5.096 4.320 0.069 0.000 0.303 1283 A C -0.953 176.562 177.584 -0.115 0.000 1.108 1283 A CA -0.452 51.551 52.037 -0.057 0.000 0.830 1283 A CB 1.265 20.227 19.000 -0.063 0.000 1.106 1283 A HN 0.589 nan 8.150 nan 0.000 0.493 1284 L N 2.238 123.377 121.223 -0.141 0.000 2.342 1284 L HA 0.540 4.922 4.340 0.069 0.000 0.276 1284 L C -0.994 175.717 176.870 -0.265 0.000 0.997 1284 L CA -0.243 54.480 54.840 -0.195 0.000 0.838 1284 L CB 1.663 43.647 42.059 -0.125 0.000 1.224 1284 L HN 0.398 nan 8.230 nan 0.000 0.416 1285 V N 6.818 126.444 119.914 -0.480 0.000 2.406 1285 V HA 0.397 4.559 4.120 0.069 0.000 0.272 1285 V C -1.782 174.110 176.094 -0.336 0.000 1.043 1285 V CA -1.141 60.851 62.300 -0.514 0.000 0.915 1285 V CB 0.991 32.195 31.823 -1.031 0.000 0.988 1285 V HN 0.696 nan 8.190 nan 0.000 0.466 1286 P HA 0.371 nan 4.420 nan 0.000 0.220 1286 P C -0.403 176.866 177.300 -0.051 0.000 1.778 1286 P CA 0.124 63.166 63.100 -0.098 0.000 0.912 1286 P CB 0.407 32.062 31.700 -0.075 0.000 1.861 1287 A N 0.135 122.953 122.820 -0.003 0.000 2.402 1287 A HA 0.716 5.077 4.320 0.069 0.000 0.291 1287 A C 0.099 177.762 177.584 0.132 0.000 1.051 1287 A CA -0.522 51.541 52.037 0.043 0.000 0.716 1287 A CB 1.399 20.423 19.000 0.040 0.000 1.223 1287 A HN 0.307 nan 8.150 nan 0.000 0.425 1288 G N -0.118 108.696 108.800 0.023 0.000 3.107 1288 G HA2 0.482 4.484 3.960 0.069 0.000 0.232 1288 G HA3 0.482 4.484 3.960 0.069 0.000 0.232 1288 G C 0.484 175.369 174.900 -0.025 0.000 1.339 1288 G CA 0.112 45.202 45.100 -0.016 0.000 1.033 1288 G HN 1.121 nan 8.290 nan 0.000 0.567 1289 Y N -1.454 118.863 120.300 0.029 0.000 2.421 1289 Y HA 0.256 4.846 4.550 0.068 0.000 0.292 1289 Y C 2.470 178.365 175.900 -0.008 0.000 1.136 1289 Y CA 0.868 58.967 58.100 -0.002 0.000 1.255 1289 Y CB -0.813 37.651 38.460 0.007 0.000 0.991 1289 Y HN 0.293 nan 8.280 nan 0.000 0.552 1290 A N 0.641 123.473 122.820 0.020 0.000 2.066 1290 A HA -0.110 4.252 4.320 0.069 0.000 0.218 1290 A C 1.654 179.246 177.584 0.014 0.000 1.157 1290 A CA 1.440 53.505 52.037 0.048 0.000 0.670 1290 A CB -0.550 18.426 19.000 -0.040 0.000 0.804 1290 A HN 0.514 nan 8.150 nan 0.000 0.453 1291 D N -1.367 119.024 120.400 -0.015 0.000 2.340 1291 D HA 0.212 4.894 4.640 0.069 0.000 0.220 1291 D C 1.298 177.572 176.300 -0.043 0.000 1.039 1291 D CA 1.094 55.074 54.000 -0.033 0.000 0.866 1291 D CB 0.387 41.158 40.800 -0.048 0.000 0.913 1291 D HN 0.588 nan 8.370 nan 0.000 0.523 1292 G N 0.877 109.667 108.800 -0.015 0.000 2.184 1292 G HA2 -0.200 3.802 3.960 0.069 0.000 0.206 1292 G HA3 -0.200 3.802 3.960 0.069 0.000 0.206 1292 G C 0.185 175.041 174.900 -0.074 0.000 0.995 1292 G CA -0.547 44.531 45.100 -0.037 0.000 0.651 1292 G HN 0.167 nan 8.290 nan 0.000 0.511 1293 I N 3.255 123.782 120.570 -0.072 0.000 2.406 1293 I HA 0.253 4.464 4.170 0.069 0.000 0.293 1293 I C -1.691 174.427 176.117 0.001 0.000 1.101 1293 I CA -3.091 58.124 61.300 -0.140 0.000 1.334 1293 I CB 0.017 37.926 38.000 -0.152 0.000 1.421 1293 I HN -0.037 nan 8.210 nan 0.000 0.513 1294 P HA -0.013 nan 4.420 nan 0.000 0.261 1294 P C 0.739 178.078 177.300 0.064 0.000 1.183 1294 P CA 0.037 63.167 63.100 0.051 0.000 0.761 1294 P CB 0.552 32.297 31.700 0.076 0.000 0.785 1295 R N 3.752 124.270 120.500 0.030 0.000 2.236 1295 R HA -0.036 4.346 4.340 0.069 0.000 0.208 1295 R C 0.837 177.125 176.300 -0.021 0.000 1.036 1295 R CA 0.995 57.111 56.100 0.025 0.000 1.001 1295 R CB -0.294 29.948 30.300 -0.096 0.000 0.896 1295 R HN 0.391 nan 8.270 nan 0.000 0.464 1296 N N 0.048 118.727 118.700 -0.035 0.000 2.521 1296 N HA 0.004 4.785 4.740 0.069 0.000 0.188 1296 N C 0.864 176.316 175.510 -0.096 0.000 1.146 1296 N CA 0.682 53.694 53.050 -0.062 0.000 0.893 1296 N CB 0.514 38.973 38.487 -0.046 0.000 0.975 1296 N HN 0.217 nan 8.380 nan 0.000 0.451 1297 A N -0.252 122.543 122.820 -0.041 0.000 2.251 1297 A HA 0.176 4.537 4.320 0.069 0.000 0.209 1297 A C 0.795 178.317 177.584 -0.104 0.000 1.187 1297 A CA -0.193 51.809 52.037 -0.057 0.000 0.823 1297 A CB 0.065 19.157 19.000 0.155 0.000 0.846 1297 A HN 0.096 nan 8.150 nan 0.000 0.486 1298 S N 0.086 115.742 115.700 -0.075 0.000 2.673 1298 S HA 0.345 4.856 4.470 0.069 0.000 0.308 1298 S C 1.511 176.062 174.600 -0.082 0.000 1.246 1298 S CA 1.103 59.264 58.200 -0.065 0.000 1.077 1298 S CB 0.004 63.183 63.200 -0.035 0.000 0.814 1298 S HN 1.547 nan 8.310 nan 0.000 0.503 1299 G N 3.753 112.502 108.800 -0.085 0.000 2.199 1299 G HA2 -0.275 3.727 3.960 0.069 0.000 0.254 1299 G HA3 -0.275 3.727 3.960 0.069 0.000 0.254 1299 G C 0.833 175.662 174.900 -0.119 0.000 0.982 1299 G CA 0.603 45.660 45.100 -0.073 0.000 0.632 1299 G HN 0.619 nan 8.290 nan 0.000 0.529 1300 R N 0.033 120.418 120.500 -0.192 0.000 2.320 1300 R HA 0.311 4.693 4.340 0.069 0.000 0.193 1300 R C 1.748 177.789 176.300 -0.432 0.000 0.885 1300 R CA 0.479 56.428 56.100 -0.252 0.000 1.085 1300 R CB 0.016 30.169 30.300 -0.245 0.000 1.253 1300 R HN 0.464 nan 8.270 nan 0.000 0.636 1301 G N 4.286 112.712 108.800 -0.623 0.000 2.109 1301 G HA2 -0.014 3.987 3.960 0.069 0.000 0.249 1301 G HA3 -0.014 3.987 3.960 0.069 0.000 0.249 1301 G C -2.419 171.897 174.900 -0.974 0.000 1.126 1301 G CA -0.473 43.780 45.100 -1.412 0.000 0.923 1301 G HN 0.076 nan 8.290 nan 0.000 0.439 1302 P HA 0.420 nan 4.420 nan 0.000 0.288 1302 P C -0.585 176.763 177.300 0.080 0.000 1.267 1302 P CA -0.509 62.395 63.100 -0.326 0.000 0.815 1302 P CB 1.860 33.383 31.700 -0.295 0.000 0.989 1303 V N 3.665 123.672 119.914 0.155 0.000 2.709 1303 V HA 0.229 4.390 4.120 0.069 0.000 0.308 1303 V C -0.177 175.996 176.094 0.131 0.000 1.062 1303 V CA -0.916 61.535 62.300 0.251 0.000 0.901 1303 V CB 2.166 34.190 31.823 0.335 0.000 1.003 1303 V HN 0.350 nan 8.190 nan 0.000 0.425 1304 L N 6.161 127.451 121.223 0.111 0.000 2.334 1304 L HA 0.561 4.943 4.340 0.069 0.000 0.286 1304 L C -0.391 176.504 176.870 0.041 0.000 1.108 1304 L CA 0.155 55.032 54.840 0.061 0.000 0.875 1304 L CB 0.484 42.574 42.059 0.052 0.000 1.246 1304 L HN 0.524 nan 8.230 nan 0.000 0.439 1305 V N 4.291 124.223 119.914 0.030 0.000 2.588 1305 V HA 0.696 4.858 4.120 0.069 0.000 0.304 1305 V C 0.675 176.769 176.094 -0.001 0.000 1.042 1305 V CA -0.771 61.535 62.300 0.009 0.000 0.877 1305 V CB 1.229 33.054 31.823 0.003 0.000 0.996 1305 V HN 0.867 nan 8.190 nan 0.000 0.425 1306 A N 3.676 126.490 122.820 -0.009 0.000 2.362 1306 A HA 0.104 4.465 4.320 0.069 0.000 0.290 1306 A C 1.772 179.350 177.584 -0.010 0.000 1.441 1306 A CA 1.302 53.329 52.037 -0.016 0.000 0.743 1306 A CB -1.489 17.494 19.000 -0.029 0.000 1.125 1306 A HN 2.764 nan 8.150 nan 0.000 0.378 1307 G N -1.031 107.767 108.800 -0.004 0.000 2.205 1307 G HA2 -0.334 3.667 3.960 0.069 0.000 0.269 1307 G HA3 -0.334 3.667 3.960 0.069 0.000 0.269 1307 G C 0.214 175.115 174.900 0.002 0.000 0.977 1307 G CA 1.702 46.801 45.100 -0.001 0.000 0.652 1307 G HN 1.342 nan 8.290 nan 0.000 0.539 1308 K N -0.549 119.853 120.400 0.003 0.000 2.426 1308 K HA 0.612 4.974 4.320 0.069 0.000 0.251 1308 K C -0.189 176.417 176.600 0.011 0.000 0.941 1308 K CA -1.215 55.075 56.287 0.005 0.000 0.808 1308 K CB 1.662 34.163 32.500 0.001 0.000 1.265 1308 K HN -0.035 nan 8.250 nan 0.000 0.432 1309 I N 3.739 124.315 120.570 0.009 0.000 2.452 1309 I HA 0.132 4.344 4.170 0.069 0.000 0.287 1309 I C 0.513 176.635 176.117 0.007 0.000 1.079 1309 I CA 0.080 61.387 61.300 0.011 0.000 1.387 1309 I CB 0.058 38.056 38.000 -0.003 0.000 1.404 1309 I HN 0.457 nan 8.210 nan 0.000 0.522 1310 R N 5.517 126.030 120.500 0.022 0.000 2.797 1310 R HA 0.671 5.053 4.340 0.069 0.000 0.251 1310 R C -0.370 175.937 176.300 0.011 0.000 1.107 1310 R CA -1.169 54.944 56.100 0.022 0.000 1.084 1310 R CB 1.088 31.411 30.300 0.039 0.000 1.205 1310 R HN 0.341 nan 8.270 nan 0.000 0.515 1311 R N -0.269 120.230 120.500 -0.001 0.000 2.740 1311 R HA 0.466 4.848 4.340 0.069 0.000 0.282 1311 R C -0.944 175.355 176.300 -0.001 0.000 0.969 1311 R CA -0.611 55.463 56.100 -0.043 0.000 0.918 1311 R CB 1.834 32.089 30.300 -0.074 0.000 1.175 1311 R HN 0.851 nan 8.270 nan 0.000 0.464 1312 A N 1.813 124.613 122.820 -0.032 0.000 2.548 1312 A HA 0.418 4.779 4.320 0.069 0.000 0.247 1312 A C -0.218 177.335 177.584 -0.052 0.000 1.067 1312 A CA 0.431 52.482 52.037 0.023 0.000 0.757 1312 A CB -0.216 18.665 19.000 -0.198 0.000 0.996 1312 A HN 0.694 nan 8.150 nan 0.000 0.504 1313 A N 3.466 126.259 122.820 -0.046 0.000 2.260 1313 A HA 0.662 5.023 4.320 0.069 0.000 0.312 1313 A C 1.181 178.662 177.584 -0.171 0.000 1.321 1313 A CA 0.542 52.347 52.037 -0.387 0.000 0.928 1313 A CB -0.674 17.997 19.000 -0.548 0.000 1.158 1313 A HN 2.885 nan 8.150 nan 0.000 0.542 1314 G N 1.736 110.490 108.800 -0.077 0.000 2.562 1314 G HA2 -0.147 3.855 3.960 0.069 0.000 0.250 1314 G HA3 -0.147 3.855 3.960 0.069 0.000 0.250 1314 G C 0.104 175.088 174.900 0.139 0.000 1.269 1314 G CA 0.157 45.356 45.100 0.167 0.000 0.919 1314 G HN 1.033 nan 8.290 nan 0.000 0.574 1315 R N -0.408 120.216 120.500 0.207 0.000 2.594 1315 R HA 0.598 4.979 4.340 0.069 0.000 0.272 1315 R C 0.451 176.864 176.300 0.188 0.000 1.074 1315 R CA -0.185 56.026 56.100 0.185 0.000 1.105 1315 R CB 0.092 30.570 30.300 0.297 0.000 1.008 1315 R HN 0.469 nan 8.270 nan 0.000 0.472 1316 I N 2.983 123.666 120.570 0.188 0.000 2.321 1316 I HA 0.347 4.559 4.170 0.069 0.000 0.291 1316 I C 0.355 176.667 176.117 0.326 0.000 0.998 1316 I CA -0.563 60.866 61.300 0.214 0.000 1.227 1316 I CB 1.667 39.738 38.000 0.118 0.000 1.368 1316 I HN 0.640 nan 8.210 nan 0.000 0.466 1317 A N 6.155 129.123 122.820 0.247 0.000 2.246 1317 A HA 0.375 4.737 4.320 0.069 0.000 0.291 1317 A C 1.163 178.574 177.584 -0.287 0.000 1.103 1317 A CA -0.492 51.664 52.037 0.198 0.000 0.844 1317 A CB 0.680 19.793 19.000 0.188 0.000 1.136 1317 A HN 0.896 nan 8.150 nan 0.000 0.500 1318 M N -0.676 118.529 119.600 -0.658 0.000 2.108 1318 M HA -0.156 4.365 4.480 0.069 0.000 0.261 1318 M C 0.318 176.328 176.300 -0.483 0.000 1.066 1318 M CA 2.258 56.877 55.300 -1.134 0.000 1.107 1318 M CB -0.156 32.078 32.600 -0.610 0.000 1.356 1318 M HN 0.760 nan 8.290 nan 0.000 0.406 1319 D N -0.507 119.761 120.400 -0.220 0.000 2.423 1319 D HA 0.073 4.755 4.640 0.069 0.000 0.208 1319 D C 0.423 176.693 176.300 -0.050 0.000 1.068 1319 D CA 0.305 54.239 54.000 -0.110 0.000 0.860 1319 D CB 0.524 41.282 40.800 -0.070 0.000 0.992 1319 D HN 0.576 nan 8.370 nan 0.000 0.504 1320 Q N 0.044 119.835 119.800 -0.015 0.000 2.756 1320 Q HA 0.403 4.784 4.340 0.069 0.000 0.295 1320 Q C -1.710 174.378 176.000 0.146 0.000 0.903 1320 Q CA -0.982 54.841 55.803 0.033 0.000 0.768 1320 Q CB 1.628 30.336 28.738 -0.049 0.000 1.472 1320 Q HN -0.012 nan 8.270 nan 0.000 0.416 1321 F N -0.980 118.954 119.950 -0.026 0.000 2.645 1321 F HA 0.796 5.363 4.527 0.066 0.000 0.310 1321 F C -1.489 174.300 175.800 -0.017 0.000 1.102 1321 F CA -1.001 56.993 58.000 -0.010 0.000 0.952 1321 F CB 1.444 40.462 39.000 0.030 0.000 1.326 1321 F HN 0.542 nan 8.300 nan 0.000 0.456 1322 V N 2.044 121.971 119.914 0.021 0.000 2.850 1322 V HA 0.917 5.079 4.120 0.069 0.000 0.315 1322 V C -1.681 174.403 176.094 -0.016 0.000 1.064 1322 V CA -0.718 61.517 62.300 -0.109 0.000 0.979 1322 V CB 1.776 33.573 31.823 -0.042 0.000 1.039 1322 V HN 0.936 nan 8.190 nan 0.000 0.452 1323 V N 3.086 122.952 119.914 -0.080 0.000 2.760 1323 V HA 0.437 4.599 4.120 0.069 0.000 0.309 1323 V C -1.119 174.959 176.094 -0.027 0.000 1.077 1323 V CA -0.503 61.783 62.300 -0.023 0.000 0.910 1323 V CB 1.899 33.723 31.823 0.002 0.000 1.008 1323 V HN 1.084 nan 8.190 nan 0.000 0.424 1324 D N 4.086 124.471 120.400 -0.026 0.000 2.365 1324 D HA 0.267 4.949 4.640 0.069 0.000 0.237 1324 D C 0.723 177.053 176.300 0.049 0.000 1.190 1324 D CA -0.042 53.979 54.000 0.036 0.000 0.867 1324 D CB 1.467 42.316 40.800 0.082 0.000 1.050 1324 D HN 0.417 nan 8.370 nan 0.000 0.491 1325 L N 3.312 124.570 121.223 0.058 0.000 2.478 1325 L HA 0.164 4.545 4.340 0.069 0.000 0.223 1325 L C 1.953 178.853 176.870 0.050 0.000 1.140 1325 L CA 0.605 55.466 54.840 0.035 0.000 0.842 1325 L CB -0.502 41.558 42.059 0.002 0.000 0.953 1325 L HN 0.715 nan 8.230 nan 0.000 0.452 1326 G N 0.372 109.237 108.800 0.108 0.000 2.543 1326 G HA2 -0.441 3.561 3.960 0.069 0.000 0.286 1326 G HA3 -0.441 3.561 3.960 0.069 0.000 0.286 1326 G C 0.775 175.778 174.900 0.172 0.000 1.153 1326 G CA 0.638 45.810 45.100 0.121 0.000 0.968 1326 G HN 0.277 nan 8.290 nan 0.000 0.544 1327 E N 1.403 121.655 120.200 0.087 0.000 2.216 1327 E HA 0.185 4.576 4.350 0.069 0.000 0.192 1327 E C 0.654 177.191 176.600 -0.105 0.000 0.988 1327 E CA 0.662 57.099 56.400 0.062 0.000 0.834 1327 E CB -0.082 29.640 29.700 0.036 0.000 0.772 1327 E HN 0.628 nan 8.360 nan 0.000 0.479 1328 D N 0.081 120.412 120.400 -0.115 0.000 2.419 1328 D HA 0.021 4.703 4.640 0.069 0.000 0.236 1328 D C -0.466 175.624 176.300 -0.349 0.000 1.165 1328 D CA 0.345 54.244 54.000 -0.170 0.000 0.882 1328 D CB 0.657 41.404 40.800 -0.089 0.000 1.201 1328 D HN -0.061 nan 8.370 nan 0.000 0.443 1329 L N 0.687 121.751 121.223 -0.265 0.000 2.322 1329 L HA 0.860 5.241 4.340 0.069 0.000 0.269 1329 L C 0.035 176.824 176.870 -0.134 0.000 1.012 1329 L CA -0.680 54.000 54.840 -0.267 0.000 0.815 1329 L CB 0.981 42.927 42.059 -0.187 0.000 1.295 1329 L HN 0.658 nan 8.230 nan 0.000 0.438 1330 A N 1.380 124.144 122.820 -0.093 0.000 2.549 1330 A HA 0.665 5.026 4.320 0.069 0.000 0.291 1330 A C -1.469 176.097 177.584 -0.030 0.000 1.034 1330 A CA -0.600 51.406 52.037 -0.052 0.000 0.655 1330 A CB 1.602 20.573 19.000 -0.048 0.000 1.299 1330 A HN 0.745 nan 8.150 nan 0.000 0.427 1331 E N 0.344 120.529 120.200 -0.024 0.000 2.433 1331 E HA 0.731 5.123 4.350 0.069 0.000 0.273 1331 E C -0.041 176.547 176.600 -0.020 0.000 0.950 1331 E CA -0.811 55.579 56.400 -0.016 0.000 0.796 1331 E CB 1.895 31.588 29.700 -0.012 0.000 1.330 1331 E HN 1.627 nan 8.360 nan 0.000 0.455 1332 A N 0.475 123.284 122.820 -0.018 0.000 2.567 1332 A HA 0.398 4.760 4.320 0.069 0.000 0.240 1332 A C 1.270 178.843 177.584 -0.019 0.000 1.053 1332 A CA 1.029 53.053 52.037 -0.022 0.000 0.755 1332 A CB -1.001 17.987 19.000 -0.020 0.000 0.978 1332 A HN 1.324 nan 8.150 nan 0.000 0.507 1333 G N 2.182 110.969 108.800 -0.021 0.000 2.234 1333 G HA2 -0.195 3.807 3.960 0.069 0.000 0.235 1333 G HA3 -0.195 3.807 3.960 0.069 0.000 0.235 1333 G C 0.031 174.926 174.900 -0.010 0.000 0.997 1333 G CA 0.284 45.376 45.100 -0.012 0.000 0.623 1333 G HN 0.836 nan 8.290 nan 0.000 0.514 1334 D N 1.230 121.620 120.400 -0.016 0.000 2.400 1334 D HA 0.395 5.077 4.640 0.069 0.000 0.238 1334 D C 0.688 176.979 176.300 -0.016 0.000 1.157 1334 D CA 0.177 54.168 54.000 -0.014 0.000 0.889 1334 D CB 0.668 41.456 40.800 -0.020 0.000 1.199 1334 D HN 0.509 nan 8.370 nan 0.000 0.436 1335 E N 0.041 120.235 120.200 -0.009 0.000 2.338 1335 E HA 0.438 4.830 4.350 0.069 0.000 0.272 1335 E C -1.362 175.225 176.600 -0.021 0.000 1.029 1335 E CA -0.654 55.740 56.400 -0.011 0.000 0.872 1335 E CB 0.711 30.412 29.700 0.003 0.000 1.015 1335 E HN 0.407 nan 8.360 nan 0.000 0.417 1336 A N 3.767 126.567 122.820 -0.034 0.000 2.393 1336 A HA 0.464 4.826 4.320 0.069 0.000 0.306 1336 A C -1.202 176.366 177.584 -0.027 0.000 1.050 1336 A CA -0.705 51.319 52.037 -0.021 0.000 0.724 1336 A CB 1.769 20.752 19.000 -0.029 0.000 1.248 1336 A HN 0.394 nan 8.150 nan 0.000 0.424 1337 V N 4.378 124.295 119.914 0.006 0.000 2.275 1337 V HA 0.159 4.320 4.120 0.069 0.000 0.272 1337 V C 0.730 176.863 176.094 0.065 0.000 1.028 1337 V CA 0.002 62.302 62.300 0.001 0.000 0.810 1337 V CB 0.332 32.160 31.823 0.008 0.000 1.043 1337 V HN 0.870 nan 8.190 nan 0.000 0.453 1338 I N 4.894 125.486 120.570 0.037 0.000 2.394 1338 I HA -0.045 4.167 4.170 0.069 0.000 0.251 1338 I C 0.450 176.650 176.117 0.138 0.000 1.136 1338 I CA 1.444 62.806 61.300 0.103 0.000 1.425 1338 I CB -0.041 37.895 38.000 -0.106 0.000 1.079 1338 I HN 0.633 nan 8.210 nan 0.000 0.425 1339 L N -2.407 118.822 121.223 0.010 0.000 2.592 1339 L HA 0.876 5.258 4.340 0.069 0.000 0.258 1339 L C -0.598 176.275 176.870 0.004 0.000 0.926 1339 L CA -0.145 54.724 54.840 0.048 0.000 0.885 1339 L CB 1.240 43.253 42.059 -0.077 0.000 1.380 1339 L HN -0.043 nan 8.230 nan 0.000 0.415 1340 G N 0.845 109.672 108.800 0.044 0.000 3.078 1340 G HA2 0.270 4.272 3.960 0.069 0.000 0.131 1340 G HA3 0.270 4.272 3.960 0.069 0.000 0.131 1340 G C -1.658 173.268 174.900 0.043 0.000 1.219 1340 G CA 0.053 45.168 45.100 0.025 0.000 1.319 1340 G HN 0.722 nan 8.290 nan 0.000 0.653 1341 D N 0.818 121.241 120.400 0.039 0.000 2.193 1341 D HA 0.606 5.287 4.640 0.069 0.000 0.244 1341 D C 1.199 177.523 176.300 0.040 0.000 1.064 1341 D CA 0.164 54.189 54.000 0.040 0.000 0.845 1341 D CB 1.878 42.700 40.800 0.035 0.000 1.148 1341 D HN 0.408 nan 8.370 nan 0.000 0.464 1342 A N 3.479 126.323 122.820 0.040 0.000 2.119 1342 A HA -0.095 4.266 4.320 0.069 0.000 0.217 1342 A C 1.621 179.222 177.584 0.028 0.000 1.153 1342 A CA 0.998 53.056 52.037 0.035 0.000 0.692 1342 A CB -0.041 18.980 19.000 0.034 0.000 0.799 1342 A HN 0.524 nan 8.150 nan 0.000 0.458 1343 E N -0.555 119.661 120.200 0.027 0.000 2.489 1343 E HA 0.114 4.505 4.350 0.069 0.000 0.193 1343 E C 1.422 178.035 176.600 0.022 0.000 1.057 1343 E CA 0.293 56.707 56.400 0.023 0.000 0.866 1343 E CB 0.041 29.755 29.700 0.023 0.000 0.916 1343 E HN 0.488 nan 8.360 nan 0.000 0.500 1344 R N -1.343 119.172 120.500 0.024 0.000 2.577 1344 R HA 0.214 4.595 4.340 0.069 0.000 0.344 1344 R C 0.584 176.897 176.300 0.022 0.000 1.037 1344 R CA 0.452 56.566 56.100 0.022 0.000 1.102 1344 R CB 0.877 31.191 30.300 0.024 0.000 1.313 1344 R HN 0.176 nan 8.270 nan 0.000 0.561 1345 G N 1.713 110.526 108.800 0.022 0.000 2.166 1345 G HA2 -0.324 3.677 3.960 0.069 0.000 0.260 1345 G HA3 -0.324 3.677 3.960 0.069 0.000 0.260 1345 G C -0.105 174.810 174.900 0.026 0.000 0.986 1345 G CA 0.607 45.720 45.100 0.021 0.000 0.683 1345 G HN 0.424 nan 8.290 nan 0.000 0.527 1346 E N 0.490 120.710 120.200 0.033 0.000 2.267 1346 E HA 0.570 4.962 4.350 0.069 0.000 0.258 1346 E C -2.406 174.231 176.600 0.061 0.000 1.074 1346 E CA -2.191 54.236 56.400 0.046 0.000 0.915 1346 E CB 1.022 30.748 29.700 0.044 0.000 1.186 1346 E HN 0.195 nan 8.360 nan 0.000 0.439 1347 P HA 0.072 nan 4.420 nan 0.000 0.274 1347 P C -0.727 176.665 177.300 0.154 0.000 1.246 1347 P CA -0.331 62.845 63.100 0.127 0.000 0.795 1347 P CB 0.720 32.549 31.700 0.215 0.000 1.006 1348 T N -3.737 110.918 114.554 0.169 0.000 2.907 1348 T HA 0.624 5.016 4.350 0.069 0.000 0.290 1348 T C 1.049 175.888 174.700 0.232 0.000 1.066 1348 T CA -0.395 61.800 62.100 0.158 0.000 1.012 1348 T CB 1.197 70.124 68.868 0.099 0.000 1.184 1348 T HN 0.224 nan 8.240 nan 0.000 0.522 1349 A N -0.072 122.845 122.820 0.161 0.000 2.070 1349 A HA 0.000 4.362 4.320 0.069 0.000 0.220 1349 A C 2.114 179.804 177.584 0.176 0.000 1.159 1349 A CA 1.923 54.057 52.037 0.162 0.000 0.656 1349 A CB -1.031 18.027 19.000 0.096 0.000 0.800 1349 A HN 0.926 nan 8.150 nan 0.000 0.453 1350 E N 0.638 120.918 120.200 0.134 0.000 2.076 1350 E HA -0.123 4.268 4.350 0.069 0.000 0.190 1350 E C 1.302 177.961 176.600 0.098 0.000 0.979 1350 E CA 1.317 57.781 56.400 0.107 0.000 0.807 1350 E CB -0.243 29.502 29.700 0.075 0.000 0.761 1350 E HN 0.498 nan 8.360 nan 0.000 0.454 1351 D N -0.567 119.886 120.400 0.088 0.000 2.149 1351 D HA -0.173 4.508 4.640 0.069 0.000 0.198 1351 D C 1.454 177.708 176.300 -0.078 0.000 0.990 1351 D CA 0.972 54.965 54.000 -0.012 0.000 0.839 1351 D CB -0.357 40.416 40.800 -0.045 0.000 0.948 1351 D HN 0.355 nan 8.370 nan 0.000 0.460 1352 W N 1.330 122.626 121.300 -0.007 0.000 2.476 1352 W HA 0.144 4.841 4.660 0.062 0.000 0.281 1352 W C 2.558 179.071 176.519 -0.011 0.000 1.230 1352 W CA 0.758 58.089 57.345 -0.024 0.000 1.287 1352 W CB -0.331 29.112 29.460 -0.029 0.000 1.108 1352 W HN -0.088 nan 8.180 nan 0.000 0.567 1353 A N 0.291 123.241 122.820 0.217 0.000 1.865 1353 A HA -0.279 4.083 4.320 0.069 0.000 0.217 1353 A C 1.976 179.631 177.584 0.118 0.000 1.191 1353 A CA 1.843 53.976 52.037 0.159 0.000 0.623 1353 A CB -0.891 18.196 19.000 0.145 0.000 0.826 1353 A HN 0.326 nan 8.150 nan 0.000 0.444 1354 Q N -0.606 119.245 119.800 0.084 0.000 2.096 1354 Q HA -0.180 4.202 4.340 0.069 0.000 0.204 1354 Q C 2.439 178.452 176.000 0.021 0.000 0.982 1354 Q CA 1.591 57.439 55.803 0.075 0.000 0.850 1354 Q CB -0.568 28.191 28.738 0.034 0.000 0.901 1354 Q HN 0.676 nan 8.270 nan 0.000 0.422 1355 A N 1.253 124.020 122.820 -0.089 0.000 1.933 1355 A HA -0.040 4.321 4.320 0.069 0.000 0.218 1355 A C 2.135 179.578 177.584 -0.236 0.000 1.175 1355 A CA 1.734 53.641 52.037 -0.216 0.000 0.628 1355 A CB -0.409 18.351 19.000 -0.401 0.000 0.814 1355 A HN 0.368 nan 8.150 nan 0.000 0.444 1356 A N -2.531 120.238 122.820 -0.086 0.000 2.345 1356 A HA 0.364 4.725 4.320 0.069 0.000 0.225 1356 A C 0.532 178.109 177.584 -0.010 0.000 1.243 1356 A CA 0.351 52.345 52.037 -0.071 0.000 0.875 1356 A CB -0.350 18.694 19.000 0.072 0.000 0.929 1356 A HN 0.565 nan 8.150 nan 0.000 0.502 1357 H N -0.367 118.718 119.070 0.026 0.000 2.826 1357 H HA -0.123 4.474 4.556 0.069 0.000 0.306 1357 H C 0.436 175.785 175.328 0.035 0.000 1.235 1357 H CA 1.196 57.258 56.048 0.022 0.000 1.150 1357 H CB -2.023 27.745 29.762 0.009 0.000 1.409 1357 H HN 0.575 nan 8.280 nan 0.000 0.420 1358 T N -1.757 112.896 114.554 0.164 0.000 2.572 1358 T HA 0.753 5.145 4.350 0.069 0.000 0.274 1358 T C -0.186 174.593 174.700 0.133 0.000 0.949 1358 T CA -0.124 62.052 62.100 0.126 0.000 1.126 1358 T CB 1.384 70.318 68.868 0.110 0.000 1.478 1358 T HN 0.335 nan 8.240 nan 0.000 0.492 1359 I N -0.349 120.310 120.570 0.148 0.000 2.846 1359 I HA 0.798 5.009 4.170 0.069 0.000 0.307 1359 I C 1.307 177.553 176.117 0.216 0.000 1.053 1359 I CA -1.276 60.141 61.300 0.194 0.000 1.050 1359 I CB 1.779 39.925 38.000 0.243 0.000 1.239 1359 I HN 0.667 nan 8.210 nan 0.000 0.439 1360 A N 2.913 125.854 122.820 0.201 0.000 2.131 1360 A HA -0.149 4.212 4.320 0.069 0.000 0.220 1360 A C 1.758 179.428 177.584 0.144 0.000 1.158 1360 A CA 1.399 53.518 52.037 0.136 0.000 0.665 1360 A CB -1.029 18.008 19.000 0.062 0.000 0.795 1360 A HN 0.866 nan 8.150 nan 0.000 0.460 1361 Y N -0.599 119.782 120.300 0.136 0.000 2.200 1361 Y HA -0.146 4.454 4.550 0.084 0.000 0.290 1361 Y C 2.572 178.527 175.900 0.092 0.000 1.137 1361 Y CA 1.741 59.932 58.100 0.151 0.000 1.163 1361 Y CB -0.053 38.483 38.460 0.127 0.000 0.988 1361 Y HN 0.393 nan 8.280 nan 0.000 0.518 1362 E N -0.046 120.296 120.200 0.236 0.000 2.046 1362 E HA -0.167 4.224 4.350 0.069 0.000 0.190 1362 E C 2.098 178.751 176.600 0.089 0.000 0.982 1362 E CA 0.870 57.347 56.400 0.128 0.000 0.800 1362 E CB -0.036 29.727 29.700 0.104 0.000 0.756 1362 E HN 0.289 nan 8.360 nan 0.000 0.449 1363 I N 1.179 121.807 120.570 0.096 0.000 2.087 1363 I HA -0.289 3.923 4.170 0.069 0.000 0.240 1363 I C 2.753 178.875 176.117 0.009 0.000 1.054 1363 I CA 1.385 62.715 61.300 0.049 0.000 1.311 1363 I CB -1.697 36.350 38.000 0.079 0.000 1.024 1363 I HN 0.116 nan 8.210 nan 0.000 0.402 1364 V N -1.481 118.460 119.914 0.046 0.000 2.307 1364 V HA -0.194 3.968 4.120 0.069 0.000 0.245 1364 V C 2.423 178.536 176.094 0.032 0.000 1.045 1364 V CA 2.181 64.500 62.300 0.032 0.000 1.024 1364 V CB -1.829 30.076 31.823 0.137 0.000 0.651 1364 V HN 0.315 nan 8.190 nan 0.000 0.449 1365 T N 0.283 114.881 114.554 0.074 0.000 2.699 1365 T HA -0.151 4.241 4.350 0.069 0.000 0.268 1365 T C 1.855 176.556 174.700 0.001 0.000 1.036 1365 T CA 1.828 63.950 62.100 0.037 0.000 1.147 1365 T CB -0.371 68.501 68.868 0.006 0.000 0.862 1365 T HN 0.411 nan 8.240 nan 0.000 0.446 1366 R N 0.825 121.324 120.500 -0.001 0.000 2.325 1366 R HA 0.160 4.542 4.340 0.069 0.000 0.214 1366 R C -0.003 176.277 176.300 -0.033 0.000 0.961 1366 R CA 0.031 56.123 56.100 -0.013 0.000 1.086 1366 R CB -0.227 30.071 30.300 -0.003 0.000 1.037 1366 R HN 0.358 nan 8.270 nan 0.000 0.493 1367 I N 1.820 122.358 120.570 -0.053 0.000 2.505 1367 I HA 0.004 4.216 4.170 0.069 0.000 0.287 1367 I C 1.477 177.559 176.117 -0.059 0.000 1.104 1367 I CA 0.106 61.358 61.300 -0.081 0.000 1.387 1367 I CB -0.029 37.897 38.000 -0.123 0.000 1.404 1367 I HN 0.104 nan 8.210 nan 0.000 0.528 1368 G N 4.806 113.577 108.800 -0.048 0.000 2.855 1368 G HA2 0.117 4.119 3.960 0.069 0.000 0.248 1368 G HA3 0.117 4.119 3.960 0.069 0.000 0.248 1368 G C 1.031 175.912 174.900 -0.031 0.000 1.243 1368 G CA 0.174 45.255 45.100 -0.031 0.000 0.881 1368 G HN 0.821 nan 8.290 nan 0.000 0.598 1369 G N -1.112 107.677 108.800 -0.019 0.000 2.545 1369 G HA2 -0.060 3.942 3.960 0.069 0.000 0.212 1369 G HA3 -0.060 3.942 3.960 0.069 0.000 0.212 1369 G C 1.650 176.542 174.900 -0.014 0.000 1.144 1369 G CA 0.537 45.628 45.100 -0.014 0.000 0.813 1369 G HN 0.581 nan 8.290 nan 0.000 0.531 1370 R N -0.143 120.349 120.500 -0.015 0.000 2.211 1370 R HA -0.018 4.364 4.340 0.069 0.000 0.240 1370 R C 0.121 176.412 176.300 -0.015 0.000 1.144 1370 R CA 0.345 56.437 56.100 -0.014 0.000 0.992 1370 R CB -0.171 30.119 30.300 -0.016 0.000 0.869 1370 R HN 0.183 nan 8.270 nan 0.000 0.462 1371 V N 3.950 123.850 119.914 -0.023 0.000 2.385 1371 V HA 0.213 4.375 4.120 0.069 0.000 0.269 1371 V C -1.963 174.120 176.094 -0.019 0.000 1.043 1371 V CA -1.799 60.486 62.300 -0.024 0.000 0.906 1371 V CB 1.313 33.104 31.823 -0.052 0.000 0.995 1371 V HN 0.197 nan 8.190 nan 0.000 0.467 1372 P HA 0.335 nan 4.420 nan 0.000 0.272 1372 P C -0.763 176.518 177.300 -0.032 0.000 1.223 1372 P CA -0.615 62.479 63.100 -0.010 0.000 0.784 1372 P CB 1.079 32.776 31.700 -0.005 0.000 0.923 1373 R N 0.820 121.255 120.500 -0.108 0.000 2.589 1373 R HA 0.602 4.983 4.340 0.069 0.000 0.293 1373 R C -0.922 175.150 176.300 -0.381 0.000 0.963 1373 R CA -0.821 55.126 56.100 -0.256 0.000 0.905 1373 R CB 1.543 31.645 30.300 -0.330 0.000 1.144 1373 R HN 0.210 nan 8.270 nan 0.000 0.459 1374 V N 4.356 124.010 119.914 -0.433 0.000 2.443 1374 V HA 0.390 4.552 4.120 0.069 0.000 0.293 1374 V C -1.034 174.758 176.094 -0.504 0.000 1.021 1374 V CA -0.885 61.184 62.300 -0.385 0.000 0.848 1374 V CB 1.131 32.811 31.823 -0.238 0.000 0.998 1374 V HN 0.637 nan 8.190 nan 0.000 0.424 1375 Y N 5.456 125.645 120.300 -0.184 0.000 2.320 1375 Y HA 0.790 5.376 4.550 0.060 0.000 0.324 1375 Y C 0.191 175.821 175.900 -0.450 0.000 1.190 1375 Y CA -0.781 57.106 58.100 -0.355 0.000 1.215 1375 Y CB 1.423 39.535 38.460 -0.581 0.000 1.221 1375 Y HN 0.511 nan 8.280 nan 0.000 0.486 1376 L N 1.046 122.200 121.223 -0.114 0.000 2.472 1376 L HA 0.987 5.369 4.340 0.069 0.000 0.260 1376 L C -0.021 176.917 176.870 0.113 0.000 0.963 1376 L CA -1.014 53.831 54.840 0.008 0.000 0.829 1376 L CB 1.891 43.973 42.059 0.039 0.000 1.348 1376 L HN 0.824 nan 8.230 nan 0.000 0.408 1377 G N 0.323 109.248 108.800 0.207 0.000 2.610 1377 G HA2 0.406 4.407 3.960 0.069 0.000 0.304 1377 G HA3 0.406 4.407 3.960 0.069 0.000 0.304 1377 G C 0.151 175.206 174.900 0.259 0.000 1.309 1377 G CA -0.213 45.000 45.100 0.188 0.000 0.906 1377 G HN 2.059 nan 8.290 nan 0.000 0.521 1378 G N -1.547 107.354 108.800 0.168 0.000 2.598 1378 G HA2 0.115 4.117 3.960 0.069 0.000 0.269 1378 G HA3 0.115 4.117 3.960 0.069 0.000 0.269 1378 G C 0.399 175.268 174.900 -0.052 0.000 1.289 1378 G CA 0.662 45.849 45.100 0.146 0.000 0.926 1378 G HN 1.658 nan 8.290 nan 0.000 0.567 1379 L N -0.329 120.643 121.223 -0.418 0.000 2.400 1379 L HA 0.492 4.874 4.340 0.069 0.000 0.264 1379 L C 1.844 178.464 176.870 -0.417 0.000 1.061 1379 L CA -0.353 54.244 54.840 -0.405 0.000 0.799 1379 L CB 1.002 42.801 42.059 -0.433 0.000 1.240 1379 L HN 0.886 nan 8.230 nan 0.000 0.461 1380 E N -0.012 119.991 120.200 -0.328 0.000 2.031 1380 E HA -0.263 4.128 4.350 0.069 0.000 0.193 1380 E C 1.828 178.161 176.600 -0.444 0.000 0.994 1380 E CA 1.900 58.024 56.400 -0.460 0.000 0.800 1380 E CB -0.041 29.509 29.700 -0.249 0.000 0.752 1380 E HN 0.818 nan 8.360 nan 0.000 0.447 1381 H N -2.149 116.675 119.070 -0.409 0.000 2.543 1381 H HA -0.082 4.517 4.556 0.072 0.000 0.286 1381 H C 1.628 176.792 175.328 -0.273 0.000 1.037 1381 H CA 1.102 56.910 56.048 -0.400 0.000 1.250 1381 H CB -0.121 29.558 29.762 -0.138 0.000 1.373 1381 H HN 0.208 nan 8.280 nan 0.000 0.580 1382 H N 1.079 119.793 119.070 -0.592 0.000 2.389 1382 H HA -0.064 4.531 4.556 0.065 0.000 0.299 1382 H C 1.134 176.296 175.328 -0.276 0.000 1.081 1382 H CA 1.390 57.172 56.048 -0.443 0.000 1.345 1382 H CB -0.496 29.133 29.762 -0.223 0.000 1.393 1382 H HN 0.755 nan 8.280 nan 0.000 0.520 1383 H N -0.042 118.861 119.070 -0.278 0.000 2.606 1383 H HA -0.015 4.587 4.556 0.076 0.000 0.283 1383 H C -0.007 175.325 175.328 0.007 0.000 1.084 1383 H CA -0.389 55.549 56.048 -0.182 0.000 1.191 1383 H CB 0.044 29.824 29.762 0.029 0.000 1.289 1383 H HN 0.309 nan 8.280 nan 0.000 0.628 1384 H N 0.000 119.079 119.070 0.015 0.000 2.539 1384 H HA 0.000 4.598 4.556 0.070 0.000 0.296 1384 H CA 0.000 56.062 56.048 0.024 0.000 1.023 1384 H CB 0.000 29.782 29.762 0.033 0.000 1.292 1384 H HN 0.000 nan 8.280 nan 0.000 0.496