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 3nye_1_A DATA FIRST_RESID 995 DATA SEQUENCE HHHHHHPIEA DYLVIGAGIA GASTGYWLSA HGRVVVLERE AQPGYHSTGR DATA SEQUENCE SAAHYTVAYG TPQVRALTAA SRAFFDNPPA GFCEHPLLSP RPEMVVDFSD DATA SEQUENCE DPEELRRQYE SGKALVPQMR LLDAEQACSI VPVLRRDKVF GATYDPTGAD DATA SEQUENCE IDTDALHQGY LRGIRRNQGQ VLCNHEALEI RRVDGAWEVR CDAGSYRAAV DATA SEQUENCE LVNAAGAWCD AIAGLAGVRP LGLQPKRRSA FIFAPPPGID CHDWPMLVSL DATA SEQUENCE DESFYLKPDA GMLLGSPANA DPVEAHDVQP EQLDIATGMY LIEEATTLTI DATA SEQUENCE RRPEHTWAGL RSFVADGDLV AGYAANAEGF FWVAAQGGYG IQTSAAMGEA DATA SEQUENCE SAALIRHQPL PAHLREHGLD EAMLSPRRLS P 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 995 H HA 0.000 nan 4.556 nan 0.000 0.296 995 H C 0.000 175.186 175.328 -0.237 0.000 0.993 995 H CA 0.000 55.936 56.048 -0.186 0.000 1.023 995 H CB 0.000 29.613 29.762 -0.248 0.000 1.292 996 H N 1.630 120.530 119.070 -0.283 0.000 2.472 996 H HA 0.257 4.803 4.556 -0.017 0.000 0.335 996 H C -0.243 175.056 175.328 -0.048 0.000 1.136 996 H CA -0.464 55.475 56.048 -0.181 0.000 1.264 996 H CB 1.429 31.067 29.762 -0.207 0.000 1.486 996 H HN 0.348 nan 8.280 nan 0.000 0.517 997 H N 1.978 121.061 119.070 0.021 0.000 2.897 997 H HA 0.080 4.626 4.556 -0.017 0.000 0.347 997 H C -0.358 174.947 175.328 -0.039 0.000 1.068 997 H CA 0.299 56.289 56.048 -0.097 0.000 1.426 997 H CB 0.136 29.854 29.762 -0.074 0.000 1.410 997 H HN 0.764 nan 8.280 nan 0.000 0.597 998 H N 1.439 120.018 119.070 -0.818 0.000 2.895 998 H HA 0.293 4.839 4.556 -0.016 0.000 0.373 998 H C -0.552 174.313 175.328 -0.773 0.000 1.174 998 H CA -1.111 54.590 56.048 -0.577 0.000 1.144 998 H CB 0.429 30.059 29.762 -0.221 0.000 1.793 998 H HN 0.685 nan 8.280 nan 0.000 0.551 999 H N 1.551 120.458 119.070 -0.272 0.000 2.836 999 H HA 0.019 4.565 4.556 -0.016 0.000 0.368 999 H C -0.083 175.205 175.328 -0.066 0.000 1.164 999 H CA 0.059 56.012 56.048 -0.158 0.000 1.425 999 H CB 0.617 30.365 29.762 -0.023 0.000 1.414 999 H HN 0.668 nan 8.280 nan 0.000 0.614 1000 H N 2.780 121.744 119.070 -0.176 0.000 2.948 1000 H HA 0.005 4.551 4.556 -0.017 0.000 0.351 1000 H C -1.768 173.634 175.328 0.124 0.000 1.079 1000 H CA -1.320 54.721 56.048 -0.010 0.000 1.407 1000 H CB -0.122 29.579 29.762 -0.101 0.000 1.373 1000 H HN 0.470 nan 8.280 nan 0.000 0.605 1001 P HA 0.020 nan 4.420 nan 0.000 0.269 1001 P C -0.045 177.258 177.300 0.004 0.000 1.209 1001 P CA -0.010 63.099 63.100 0.016 0.000 0.776 1001 P CB 0.754 32.458 31.700 0.007 0.000 0.876 1002 I N 2.594 123.081 120.570 -0.138 0.000 2.336 1002 I HA 0.248 4.408 4.170 -0.017 0.000 0.292 1002 I C 0.892 177.024 176.117 0.025 0.000 0.991 1002 I CA -0.590 60.676 61.300 -0.058 0.000 1.227 1002 I CB 0.678 38.594 38.000 -0.139 0.000 1.366 1002 I HN 0.253 nan 8.210 nan 0.000 0.466 1003 E N 4.731 124.958 120.200 0.044 0.000 2.216 1003 E HA 0.737 5.077 4.350 -0.017 0.000 0.279 1003 E C -0.552 176.076 176.600 0.048 0.000 0.997 1003 E CA -0.405 56.022 56.400 0.045 0.000 0.817 1003 E CB 2.596 32.309 29.700 0.021 0.000 1.096 1003 E HN 0.721 nan 8.360 nan 0.000 0.393 1004 A N 2.349 125.191 122.820 0.037 0.000 2.552 1004 A HA 0.423 4.733 4.320 -0.017 0.000 0.288 1004 A C -0.026 177.501 177.584 -0.096 0.000 1.193 1004 A CA -0.547 51.486 52.037 -0.007 0.000 0.713 1004 A CB 1.091 20.115 19.000 0.039 0.000 1.305 1004 A HN 0.486 nan 8.150 nan 0.000 0.424 1005 D N -1.293 118.951 120.400 -0.260 0.000 2.277 1005 D HA 0.161 4.791 4.640 -0.017 0.000 0.209 1005 D C -0.865 175.058 176.300 -0.629 0.000 0.970 1005 D CA 1.727 55.389 54.000 -0.562 0.000 0.874 1005 D CB 0.236 40.434 40.800 -1.003 0.000 0.982 1005 D HN 0.467 nan 8.370 nan 0.000 0.504 1006 Y N 0.192 120.518 120.300 0.042 0.000 2.361 1006 Y HA 0.427 4.968 4.550 -0.016 0.000 0.328 1006 Y C -0.479 175.422 175.900 0.002 0.000 1.044 1006 Y CA -0.806 57.304 58.100 0.016 0.000 1.085 1006 Y CB 1.279 39.722 38.460 -0.029 0.000 1.194 1006 Y HN -0.329 nan 8.280 nan 0.000 0.438 1007 L N 4.516 125.815 121.223 0.126 0.000 2.272 1007 L HA 0.616 4.946 4.340 -0.017 0.000 0.289 1007 L C -0.665 176.196 176.870 -0.015 0.000 1.032 1007 L CA -1.079 53.789 54.840 0.046 0.000 0.810 1007 L CB 1.220 43.308 42.059 0.048 0.000 1.205 1007 L HN 0.444 nan 8.230 nan 0.000 0.422 1008 V N 4.933 124.825 119.914 -0.036 0.000 2.370 1008 V HA 0.334 4.444 4.120 -0.017 0.000 0.279 1008 V C 0.265 176.309 176.094 -0.082 0.000 1.029 1008 V CA -0.521 61.739 62.300 -0.067 0.000 0.870 1008 V CB 1.806 33.603 31.823 -0.043 0.000 0.984 1008 V HN 0.419 nan 8.190 nan 0.000 0.451 1009 I N 4.546 125.055 120.570 -0.102 0.000 2.304 1009 I HA 0.692 4.852 4.170 -0.017 0.000 0.291 1009 I C 0.757 176.848 176.117 -0.044 0.000 1.018 1009 I CA 0.191 61.442 61.300 -0.082 0.000 1.260 1009 I CB 0.295 38.235 38.000 -0.100 0.000 1.390 1009 I HN 0.891 nan 8.210 nan 0.000 0.475 1010 G N 4.728 113.513 108.800 -0.025 0.000 3.233 1010 G HA2 0.175 4.125 3.960 -0.017 0.000 0.686 1010 G HA3 0.175 4.125 3.960 -0.017 0.000 0.686 1010 G C -0.241 174.683 174.900 0.041 0.000 1.153 1010 G CA -0.338 44.772 45.100 0.016 0.000 0.853 1010 G HN 0.938 nan 8.290 nan 0.000 0.582 1011 A N 1.574 124.441 122.820 0.079 0.000 2.574 1011 A HA 0.774 5.084 4.320 -0.017 0.000 0.283 1011 A C 1.508 179.257 177.584 0.275 0.000 1.270 1011 A CA 1.218 53.334 52.037 0.132 0.000 0.945 1011 A CB -0.132 18.921 19.000 0.088 0.000 1.127 1011 A HN 2.188 nan 8.150 nan 0.000 0.522 1012 G N -0.455 108.457 108.800 0.187 0.000 2.525 1012 G HA2 0.307 4.257 3.960 -0.017 0.000 0.276 1012 G HA3 0.307 4.257 3.960 -0.017 0.000 0.276 1012 G C 0.950 175.856 174.900 0.009 0.000 1.388 1012 G CA -0.037 45.115 45.100 0.087 0.000 1.050 1012 G HN 0.197 nan 8.290 nan 0.000 0.520 1013 I N 0.365 120.843 120.570 -0.153 0.000 2.361 1013 I HA -0.114 4.046 4.170 -0.017 0.000 0.251 1013 I C 2.858 178.996 176.117 0.035 0.000 1.133 1013 I CA 1.857 63.144 61.300 -0.021 0.000 1.413 1013 I CB -0.203 37.799 38.000 0.003 0.000 1.073 1013 I HN 0.439 nan 8.210 nan 0.000 0.424 1014 A N -0.170 122.665 122.820 0.025 0.000 1.855 1014 A HA -0.021 4.289 4.320 -0.017 0.000 0.215 1014 A C 2.425 180.013 177.584 0.006 0.000 1.191 1014 A CA 1.502 53.549 52.037 0.015 0.000 0.613 1014 A CB -1.590 17.429 19.000 0.031 0.000 0.829 1014 A HN 0.441 nan 8.150 nan 0.000 0.442 1015 G N -0.752 108.068 108.800 0.032 0.000 2.408 1015 G HA2 0.093 4.043 3.960 -0.017 0.000 0.217 1015 G HA3 0.093 4.043 3.960 -0.017 0.000 0.217 1015 G C 1.678 176.599 174.900 0.035 0.000 1.150 1015 G CA 1.313 46.426 45.100 0.023 0.000 0.776 1015 G HN 0.754 nan 8.290 nan 0.000 0.542 1016 A N 1.370 124.245 122.820 0.091 0.000 1.898 1016 A HA 0.007 4.317 4.320 -0.017 0.000 0.216 1016 A C 2.753 180.312 177.584 -0.043 0.000 1.181 1016 A CA 2.432 54.549 52.037 0.133 0.000 0.620 1016 A CB -0.684 18.537 19.000 0.368 0.000 0.819 1016 A HN 0.642 nan 8.150 nan 0.000 0.442 1017 S N -0.920 114.591 115.700 -0.315 0.000 2.368 1017 S HA -0.135 4.325 4.470 -0.017 0.000 0.224 1017 S C 1.885 176.457 174.600 -0.048 0.000 1.029 1017 S CA 1.836 59.639 58.200 -0.663 0.000 0.988 1017 S CB -1.197 61.591 63.200 -0.687 0.000 0.838 1017 S HN 0.449 nan 8.310 nan 0.000 0.462 1018 T N 1.996 116.526 114.554 -0.041 0.000 2.746 1018 T HA 0.046 4.386 4.350 -0.017 0.000 0.267 1018 T C 2.031 176.727 174.700 -0.005 0.000 1.039 1018 T CA 1.455 63.542 62.100 -0.021 0.000 1.142 1018 T CB -1.140 67.674 68.868 -0.091 0.000 0.866 1018 T HN 0.637 nan 8.240 nan 0.000 0.444 1019 G N -0.042 108.756 108.800 -0.002 0.000 2.422 1019 G HA2 -0.238 3.712 3.960 -0.017 0.000 0.218 1019 G HA3 -0.238 3.712 3.960 -0.017 0.000 0.218 1019 G C 1.352 176.285 174.900 0.055 0.000 1.146 1019 G CA 0.747 45.851 45.100 0.007 0.000 0.769 1019 G HN 0.535 nan 8.290 nan 0.000 0.547 1020 Y N 0.178 120.460 120.300 -0.031 0.000 2.097 1020 Y HA -0.171 4.368 4.550 -0.018 0.000 0.282 1020 Y C 2.514 178.345 175.900 -0.116 0.000 1.152 1020 Y CA 1.774 59.834 58.100 -0.068 0.000 1.136 1020 Y CB -0.267 38.143 38.460 -0.083 0.000 0.975 1020 Y HN 0.257 nan 8.280 nan 0.000 0.498 1021 W N -0.008 121.224 121.300 -0.114 0.000 2.519 1021 W HA -0.094 4.557 4.660 -0.014 0.000 0.266 1021 W C 2.017 178.465 176.519 -0.118 0.000 1.253 1021 W CA 0.951 58.186 57.345 -0.183 0.000 1.274 1021 W CB -0.374 29.022 29.460 -0.107 0.000 1.114 1021 W HN 0.251 nan 8.180 nan 0.000 0.596 1022 L N 0.562 121.787 121.223 0.004 0.000 2.217 1022 L HA -0.180 4.150 4.340 -0.017 0.000 0.211 1022 L C 2.629 179.504 176.870 0.007 0.000 1.107 1022 L CA 1.516 56.280 54.840 -0.128 0.000 0.783 1022 L CB -0.753 41.013 42.059 -0.487 0.000 0.919 1022 L HN -0.118 nan 8.230 nan 0.000 0.442 1023 S N -0.063 115.610 115.700 -0.046 0.000 2.447 1023 S HA -0.097 4.363 4.470 -0.017 0.000 0.233 1023 S C 1.993 176.546 174.600 -0.078 0.000 1.006 1023 S CA 0.718 58.909 58.200 -0.016 0.000 0.957 1023 S CB -0.266 62.908 63.200 -0.044 0.000 0.773 1023 S HN 0.331 nan 8.310 nan 0.000 0.507 1024 A N 1.027 123.701 122.820 -0.243 0.000 2.168 1024 A HA 0.037 4.347 4.320 -0.017 0.000 0.215 1024 A C 1.779 179.113 177.584 -0.416 0.000 1.152 1024 A CA 0.828 52.629 52.037 -0.394 0.000 0.716 1024 A CB -0.552 18.100 19.000 -0.581 0.000 0.794 1024 A HN 0.729 nan 8.150 nan 0.000 0.465 1025 H N -1.603 117.502 119.070 0.058 0.000 2.874 1025 H HA 0.335 4.881 4.556 -0.017 0.000 0.264 1025 H C 0.942 176.372 175.328 0.171 0.000 1.007 1025 H CA 0.855 56.966 56.048 0.105 0.000 1.207 1025 H CB 0.808 30.634 29.762 0.107 0.000 1.487 1025 H HN 0.505 nan 8.280 nan 0.000 0.505 1026 G N 0.437 109.421 108.800 0.308 0.000 2.495 1026 G HA2 0.325 4.275 3.960 -0.017 0.000 0.294 1026 G HA3 0.325 4.275 3.960 -0.017 0.000 0.294 1026 G C -1.282 173.717 174.900 0.165 0.000 1.397 1026 G CA -1.133 44.085 45.100 0.196 0.000 0.790 1026 G HN -0.015 nan 8.290 nan 0.000 0.486 1027 R N -0.010 120.487 120.500 -0.004 0.000 2.242 1027 R HA 0.441 4.771 4.340 -0.017 0.000 0.334 1027 R C -0.360 175.985 176.300 0.075 0.000 1.071 1027 R CA -0.235 55.877 56.100 0.018 0.000 0.922 1027 R CB 1.110 31.394 30.300 -0.027 0.000 1.023 1027 R HN 0.205 nan 8.270 nan 0.000 0.458 1028 V N 4.624 124.631 119.914 0.156 0.000 2.439 1028 V HA 0.277 4.387 4.120 -0.017 0.000 0.282 1028 V C 0.019 176.159 176.094 0.077 0.000 1.039 1028 V CA -0.599 61.812 62.300 0.184 0.000 0.913 1028 V CB 1.849 33.763 31.823 0.151 0.000 0.983 1028 V HN 0.411 nan 8.190 nan 0.000 0.460 1029 V N 5.654 125.598 119.914 0.049 0.000 2.483 1029 V HA 0.421 4.532 4.120 -0.017 0.000 0.297 1029 V C -0.298 175.751 176.094 -0.076 0.000 1.027 1029 V CA -0.599 61.681 62.300 -0.033 0.000 0.855 1029 V CB 2.041 33.838 31.823 -0.043 0.000 0.995 1029 V HN 0.600 nan 8.190 nan 0.000 0.424 1030 V N 6.573 126.427 119.914 -0.100 0.000 2.394 1030 V HA 0.470 4.580 4.120 -0.017 0.000 0.282 1030 V C -0.147 175.843 176.094 -0.173 0.000 1.031 1030 V CA -0.462 61.779 62.300 -0.100 0.000 0.881 1030 V CB 1.515 33.309 31.823 -0.049 0.000 0.982 1030 V HN 0.629 nan 8.190 nan 0.000 0.451 1031 L N 4.477 125.602 121.223 -0.165 0.000 2.280 1031 L HA 0.636 4.967 4.340 -0.017 0.000 0.287 1031 L C -0.288 176.536 176.870 -0.078 0.000 1.023 1031 L CA -0.372 54.365 54.840 -0.171 0.000 0.819 1031 L CB 1.572 43.516 42.059 -0.191 0.000 1.212 1031 L HN 0.632 nan 8.230 nan 0.000 0.420 1032 E N 2.827 123.000 120.200 -0.045 0.000 2.199 1032 E HA 0.256 4.596 4.350 -0.017 0.000 0.265 1032 E C 0.562 177.159 176.600 -0.005 0.000 0.882 1032 E CA -0.595 55.795 56.400 -0.016 0.000 0.759 1032 E CB 1.610 31.310 29.700 -0.000 0.000 1.148 1032 E HN 0.438 nan 8.360 nan 0.000 0.412 1033 R N 3.115 123.591 120.500 -0.041 0.000 2.081 1033 R HA -0.041 4.289 4.340 -0.017 0.000 0.235 1033 R C 0.090 176.362 176.300 -0.047 0.000 1.131 1033 R CA 1.046 57.109 56.100 -0.062 0.000 0.960 1033 R CB 0.147 30.360 30.300 -0.145 0.000 0.856 1033 R HN 0.524 nan 8.270 nan 0.000 0.436 1034 E N -0.522 119.659 120.200 -0.031 0.000 2.351 1034 E HA 0.101 4.441 4.350 -0.017 0.000 0.255 1034 E C 0.578 177.143 176.600 -0.058 0.000 1.188 1034 E CA 0.408 56.769 56.400 -0.064 0.000 0.940 1034 E CB 0.770 30.435 29.700 -0.058 0.000 1.094 1034 E HN 0.330 nan 8.360 nan 0.000 0.474 1035 A N 0.663 123.420 122.820 -0.104 0.000 2.167 1035 A HA -0.074 4.236 4.320 -0.017 0.000 0.214 1035 A C 0.339 177.893 177.584 -0.050 0.000 1.151 1035 A CA 0.922 52.916 52.037 -0.071 0.000 0.735 1035 A CB 0.086 19.031 19.000 -0.092 0.000 0.802 1035 A HN 0.403 nan 8.150 nan 0.000 0.467 1036 Q N -1.498 118.276 119.800 -0.042 0.000 2.397 1036 Q HA 0.388 4.718 4.340 -0.017 0.000 0.275 1036 Q C -2.287 173.742 176.000 0.048 0.000 1.090 1036 Q CA -1.813 53.988 55.803 -0.003 0.000 0.809 1036 Q CB 2.171 30.917 28.738 0.013 0.000 1.362 1036 Q HN 0.020 nan 8.270 nan 0.000 0.431 1037 P HA 0.005 nan 4.420 nan 0.000 0.231 1037 P C 0.195 177.669 177.300 0.291 0.000 1.168 1037 P CA 0.734 63.919 63.100 0.141 0.000 0.779 1037 P CB 0.434 32.167 31.700 0.055 0.000 0.844 1038 G N -1.318 107.642 108.800 0.267 0.000 4.044 1038 G HA2 -0.022 3.928 3.960 -0.017 0.000 0.297 1038 G HA3 -0.022 3.928 3.960 -0.017 0.000 0.297 1038 G C 0.535 175.505 174.900 0.116 0.000 1.101 1038 G CA -0.168 45.079 45.100 0.244 0.000 0.884 1038 G HN 0.067 nan 8.290 nan 0.000 0.538 1039 Y N 0.527 120.800 120.300 -0.045 0.000 2.395 1039 Y HA 0.136 4.676 4.550 -0.016 0.000 0.293 1039 Y C 1.766 177.486 175.900 -0.300 0.000 1.123 1039 Y CA 0.797 58.775 58.100 -0.203 0.000 1.227 1039 Y CB 0.109 38.385 38.460 -0.307 0.000 1.012 1039 Y HN 0.295 nan 8.280 nan 0.000 0.552 1040 H N -1.707 117.382 119.070 0.031 0.000 3.505 1040 H HA 0.232 4.778 4.556 -0.017 0.000 0.129 1040 H C 1.915 177.244 175.328 0.002 0.000 1.572 1040 H CA 0.674 56.732 56.048 0.017 0.000 1.611 1040 H CB -0.256 29.644 29.762 0.230 0.000 0.783 1040 H HN -0.025 nan 8.280 nan 0.000 0.769 1041 S N 0.136 115.964 115.700 0.213 0.000 2.402 1041 S HA -0.105 4.355 4.470 -0.017 0.000 0.229 1041 S C 1.946 176.569 174.600 0.039 0.000 1.021 1041 S CA 1.477 59.737 58.200 0.100 0.000 0.974 1041 S CB -0.347 62.900 63.200 0.078 0.000 0.800 1041 S HN 0.466 nan 8.310 nan 0.000 0.484 1042 T N 1.193 115.754 114.554 0.013 0.000 2.962 1042 T HA -0.004 4.336 4.350 -0.017 0.000 0.270 1042 T C 1.667 176.327 174.700 -0.067 0.000 1.088 1042 T CA 1.163 63.222 62.100 -0.069 0.000 1.127 1042 T CB -0.272 68.467 68.868 -0.215 0.000 0.883 1042 T HN 0.537 nan 8.240 nan 0.000 0.493 1043 G N 0.476 109.239 108.800 -0.061 0.000 3.189 1043 G HA2 0.100 4.050 3.960 -0.017 0.000 0.225 1043 G HA3 0.100 4.050 3.960 -0.017 0.000 0.225 1043 G C 1.133 175.907 174.900 -0.210 0.000 1.159 1043 G CA -0.383 44.648 45.100 -0.115 0.000 0.763 1043 G HN 0.376 nan 8.290 nan 0.000 0.549 1044 R N 0.346 120.779 120.500 -0.111 0.000 2.565 1044 R HA 0.197 4.527 4.340 -0.017 0.000 0.347 1044 R C 0.799 177.244 176.300 0.242 0.000 1.010 1044 R CA 0.023 56.084 56.100 -0.065 0.000 1.126 1044 R CB 0.772 31.127 30.300 0.093 0.000 1.331 1044 R HN 0.305 nan 8.270 nan 0.000 0.552 1045 S N -0.433 115.349 115.700 0.136 0.000 2.681 1045 S HA 0.425 4.885 4.470 -0.017 0.000 0.270 1045 S C 1.128 175.881 174.600 0.255 0.000 1.209 1045 S CA -0.340 57.977 58.200 0.194 0.000 0.988 1045 S CB 1.748 65.010 63.200 0.103 0.000 1.006 1045 S HN 0.148 nan 8.310 nan 0.000 0.558 1046 A N 0.147 123.105 122.820 0.229 0.000 2.251 1046 A HA 0.599 4.909 4.320 -0.017 0.000 0.209 1046 A C 1.398 179.067 177.584 0.143 0.000 1.187 1046 A CA 0.460 52.627 52.037 0.215 0.000 0.823 1046 A CB -1.642 17.428 19.000 0.118 0.000 0.846 1046 A HN 2.290 nan 8.150 nan 0.000 0.486 1047 A N -0.390 122.499 122.820 0.114 0.000 2.687 1047 A HA -0.218 4.092 4.320 -0.017 0.000 0.299 1047 A C 0.198 177.850 177.584 0.114 0.000 1.497 1047 A CA 1.361 53.445 52.037 0.079 0.000 0.751 1047 A CB -2.653 16.377 19.000 0.050 0.000 1.048 1047 A HN 0.898 nan 8.150 nan 0.000 0.464 1048 H N -1.876 117.199 119.070 0.009 0.000 2.747 1048 H HA 0.592 5.138 4.556 -0.017 0.000 0.371 1048 H C -1.292 174.083 175.328 0.079 0.000 1.161 1048 H CA -0.603 55.451 56.048 0.011 0.000 1.167 1048 H CB 1.545 31.262 29.762 -0.075 0.000 1.732 1048 H HN 0.486 nan 8.280 nan 0.000 0.544 1049 Y N 2.743 122.713 120.300 -0.551 0.000 2.345 1049 Y HA 0.288 4.826 4.550 -0.020 0.000 0.331 1049 Y C -1.119 174.598 175.900 -0.305 0.000 0.959 1049 Y CA -0.245 57.687 58.100 -0.279 0.000 1.204 1049 Y CB 1.247 39.591 38.460 -0.194 0.000 1.135 1049 Y HN 0.445 nan 8.280 nan 0.000 0.477 1050 T N 6.310 120.669 114.554 -0.325 0.000 2.890 1050 T HA 0.186 4.526 4.350 -0.017 0.000 0.295 1050 T C 0.571 175.137 174.700 -0.223 0.000 0.993 1050 T CA -0.522 61.493 62.100 -0.143 0.000 0.979 1050 T CB 1.491 70.368 68.868 0.014 0.000 0.967 1050 T HN 0.571 nan 8.240 nan 0.000 0.441 1051 V N 2.264 122.064 119.914 -0.189 0.000 2.379 1051 V HA 0.003 4.113 4.120 -0.017 0.000 0.245 1051 V C 1.888 177.960 176.094 -0.036 0.000 1.044 1051 V CA 1.620 63.834 62.300 -0.144 0.000 1.036 1051 V CB -0.312 31.484 31.823 -0.044 0.000 0.664 1051 V HN 0.971 nan 8.190 nan 0.000 0.453 1052 A N -0.459 122.371 122.820 0.016 0.000 3.091 1052 A HA 0.437 4.747 4.320 -0.017 0.000 0.264 1052 A C -0.538 177.130 177.584 0.140 0.000 1.673 1052 A CA 0.124 52.188 52.037 0.045 0.000 1.362 1052 A CB -0.712 18.307 19.000 0.033 0.000 1.137 1052 A HN 0.435 nan 8.150 nan 0.000 0.617 1053 Y N -0.087 120.180 120.300 -0.056 0.000 2.442 1053 Y HA 0.492 5.031 4.550 -0.019 0.000 0.330 1053 Y C 0.230 176.072 175.900 -0.096 0.000 1.100 1053 Y CA -0.037 58.059 58.100 -0.007 0.000 1.034 1053 Y CB 1.125 39.618 38.460 0.055 0.000 1.285 1053 Y HN 1.416 nan 8.280 nan 0.000 0.440 1054 G N 2.367 110.955 108.800 -0.354 0.000 2.660 1054 G HA2 0.036 3.987 3.960 -0.017 0.000 0.247 1054 G HA3 0.036 3.987 3.960 -0.017 0.000 0.247 1054 G C -0.303 174.417 174.900 -0.300 0.000 1.328 1054 G CA -0.413 44.354 45.100 -0.554 0.000 0.884 1054 G HN 1.365 nan 8.290 nan 0.000 0.531 1055 T N -1.250 113.127 114.554 -0.295 0.000 2.726 1055 T HA 0.559 4.899 4.350 -0.017 0.000 0.294 1055 T C -0.877 173.725 174.700 -0.164 0.000 1.013 1055 T CA -0.194 61.805 62.100 -0.168 0.000 0.996 1055 T CB 1.227 70.018 68.868 -0.129 0.000 1.016 1055 T HN 0.360 nan 8.240 nan 0.000 0.529 1056 P HA -0.163 nan 4.420 nan 0.000 0.216 1056 P C 1.819 179.060 177.300 -0.099 0.000 1.153 1056 P CA 1.073 64.120 63.100 -0.089 0.000 0.858 1056 P CB -0.029 31.635 31.700 -0.061 0.000 0.789 1057 Q N -0.019 119.718 119.800 -0.105 0.000 2.084 1057 Q HA -0.136 4.194 4.340 -0.017 0.000 0.202 1057 Q C 1.924 177.838 176.000 -0.143 0.000 0.978 1057 Q CA 1.718 57.459 55.803 -0.104 0.000 0.844 1057 Q CB -0.567 28.116 28.738 -0.092 0.000 0.898 1057 Q HN 0.064 nan 8.270 nan 0.000 0.426 1058 V N 1.259 121.039 119.914 -0.224 0.000 2.295 1058 V HA -0.281 3.829 4.120 -0.017 0.000 0.246 1058 V C 2.446 178.391 176.094 -0.249 0.000 1.049 1058 V CA 2.244 64.346 62.300 -0.329 0.000 1.024 1058 V CB -0.585 30.813 31.823 -0.709 0.000 0.648 1058 V HN 0.369 nan 8.190 nan 0.000 0.447 1059 R N 0.215 120.590 120.500 -0.208 0.000 2.092 1059 R HA -0.065 4.265 4.340 -0.017 0.000 0.231 1059 R C 2.405 178.650 176.300 -0.093 0.000 1.119 1059 R CA 1.354 57.371 56.100 -0.139 0.000 0.970 1059 R CB -0.561 29.680 30.300 -0.098 0.000 0.864 1059 R HN 0.538 nan 8.270 nan 0.000 0.440 1060 A N 1.337 124.110 122.820 -0.077 0.000 1.898 1060 A HA -0.092 4.218 4.320 -0.017 0.000 0.216 1060 A C 2.172 179.699 177.584 -0.095 0.000 1.181 1060 A CA 0.999 53.012 52.037 -0.041 0.000 0.620 1060 A CB -0.472 18.518 19.000 -0.017 0.000 0.819 1060 A HN 0.155 nan 8.150 nan 0.000 0.442 1061 L N -0.590 120.569 121.223 -0.107 0.000 2.042 1061 L HA -0.186 4.144 4.340 -0.017 0.000 0.210 1061 L C 2.803 179.612 176.870 -0.102 0.000 1.076 1061 L CA 1.812 56.584 54.840 -0.113 0.000 0.749 1061 L CB -0.813 41.190 42.059 -0.094 0.000 0.893 1061 L HN 0.357 nan 8.230 nan 0.000 0.432 1062 T N -0.329 114.174 114.554 -0.085 0.000 2.701 1062 T HA -0.148 4.192 4.350 -0.017 0.000 0.263 1062 T C 2.031 176.740 174.700 0.014 0.000 1.040 1062 T CA 1.279 63.353 62.100 -0.043 0.000 1.147 1062 T CB -0.290 68.468 68.868 -0.184 0.000 0.865 1062 T HN 0.438 nan 8.240 nan 0.000 0.426 1063 A N 1.550 124.334 122.820 -0.061 0.000 1.908 1063 A HA 0.079 4.389 4.320 -0.017 0.000 0.218 1063 A C 2.563 179.953 177.584 -0.323 0.000 1.181 1063 A CA 1.910 53.914 52.037 -0.055 0.000 0.627 1063 A CB -1.049 17.947 19.000 -0.006 0.000 0.818 1063 A HN 0.520 nan 8.150 nan 0.000 0.445 1064 A N -1.010 121.470 122.820 -0.567 0.000 2.119 1064 A HA 0.086 4.396 4.320 -0.017 0.000 0.217 1064 A C 2.198 179.606 177.584 -0.294 0.000 1.153 1064 A CA 1.589 53.214 52.037 -0.686 0.000 0.692 1064 A CB -0.462 18.274 19.000 -0.441 0.000 0.799 1064 A HN 0.421 nan 8.150 nan 0.000 0.458 1065 S N -0.945 114.614 115.700 -0.235 0.000 2.496 1065 S HA -0.006 4.454 4.470 -0.017 0.000 0.224 1065 S C 1.867 176.145 174.600 -0.537 0.000 0.996 1065 S CA 0.776 58.727 58.200 -0.414 0.000 0.927 1065 S CB -0.114 62.822 63.200 -0.441 0.000 0.774 1065 S HN 0.670 nan 8.310 nan 0.000 0.524 1066 R N 2.283 122.673 120.500 -0.184 0.000 2.096 1066 R HA -0.011 4.319 4.340 -0.017 0.000 0.235 1066 R C 2.182 178.417 176.300 -0.108 0.000 1.127 1066 R CA 1.487 57.511 56.100 -0.126 0.000 0.968 1066 R CB -0.623 29.666 30.300 -0.018 0.000 0.861 1066 R HN 0.326 nan 8.270 nan 0.000 0.440 1067 A N -0.127 122.644 122.820 -0.083 0.000 1.908 1067 A HA -0.198 4.112 4.320 -0.017 0.000 0.218 1067 A C 2.095 179.654 177.584 -0.041 0.000 1.181 1067 A CA 1.533 53.540 52.037 -0.051 0.000 0.627 1067 A CB -0.863 18.107 19.000 -0.050 0.000 0.818 1067 A HN 0.533 nan 8.150 nan 0.000 0.445 1068 F N -0.387 119.443 119.950 -0.199 0.000 2.113 1068 F HA -0.118 4.398 4.527 -0.019 0.000 0.297 1068 F C 1.869 177.628 175.800 -0.068 0.000 1.103 1068 F CA 1.605 59.517 58.000 -0.147 0.000 1.248 1068 F CB -0.246 38.683 39.000 -0.119 0.000 0.999 1068 F HN 0.216 nan 8.300 nan 0.000 0.475 1069 F N 0.742 120.745 119.950 0.088 0.000 2.171 1069 F HA -0.168 4.349 4.527 -0.016 0.000 0.300 1069 F C 2.325 178.029 175.800 -0.160 0.000 1.090 1069 F CA 1.217 59.187 58.000 -0.050 0.000 1.293 1069 F CB -1.282 37.685 39.000 -0.054 0.000 1.013 1069 F HN 0.033 nan 8.300 nan 0.000 0.486 1070 D N -0.908 119.507 120.400 0.025 0.000 2.249 1070 D HA -0.026 4.604 4.640 -0.017 0.000 0.205 1070 D C 0.363 176.616 176.300 -0.078 0.000 0.962 1070 D CA 0.858 54.838 54.000 -0.034 0.000 0.860 1070 D CB -0.051 40.725 40.800 -0.040 0.000 0.955 1070 D HN 0.180 nan 8.370 nan 0.000 0.505 1071 N N 1.079 119.700 118.700 -0.132 0.000 2.711 1071 N HA 0.156 4.886 4.740 -0.017 0.000 0.263 1071 N C -2.658 172.683 175.510 -0.282 0.000 1.667 1071 N CA -0.682 52.275 53.050 -0.155 0.000 0.785 1071 N CB 2.474 40.904 38.487 -0.096 0.000 1.231 1071 N HN 0.107 nan 8.380 nan 0.000 0.503 1072 P HA 0.339 nan 4.420 nan 0.000 0.274 1072 P C -2.598 174.475 177.300 -0.379 0.000 1.246 1072 P CA -0.885 61.725 63.100 -0.818 0.000 0.795 1072 P CB -0.104 30.968 31.700 -1.048 0.000 1.006 1073 P HA 0.078 nan 4.420 nan 0.000 0.267 1073 P C -0.283 177.017 177.300 0.000 0.000 1.200 1073 P CA 0.121 63.187 63.100 -0.056 0.000 0.772 1073 P CB -0.031 31.704 31.700 0.057 0.000 0.855 1074 A N 2.359 125.181 122.820 0.004 0.000 2.567 1074 A HA 0.374 4.684 4.320 -0.017 0.000 0.240 1074 A C 1.569 179.176 177.584 0.038 0.000 1.053 1074 A CA 0.848 52.891 52.037 0.010 0.000 0.755 1074 A CB -1.398 17.602 19.000 0.001 0.000 0.978 1074 A HN 0.927 nan 8.150 nan 0.000 0.507 1075 G N 1.107 109.921 108.800 0.022 0.000 2.199 1075 G HA2 -0.324 3.626 3.960 -0.017 0.000 0.254 1075 G HA3 -0.324 3.626 3.960 -0.017 0.000 0.254 1075 G C 0.755 175.678 174.900 0.039 0.000 0.982 1075 G CA 0.909 46.018 45.100 0.015 0.000 0.632 1075 G HN 1.341 nan 8.290 nan 0.000 0.529 1076 F N 1.803 121.707 119.950 -0.077 0.000 2.146 1076 F HA 0.246 4.764 4.527 -0.014 0.000 0.298 1076 F C 1.670 177.395 175.800 -0.124 0.000 1.096 1076 F CA 1.843 59.786 58.000 -0.094 0.000 1.275 1076 F CB 0.035 38.942 39.000 -0.156 0.000 1.008 1076 F HN 0.874 nan 8.300 nan 0.000 0.480 1077 C N -1.905 117.343 119.300 -0.087 0.000 3.311 1077 C HA 0.411 4.861 4.460 -0.017 0.000 0.325 1077 C C 0.859 175.765 174.990 -0.138 0.000 1.352 1077 C CA -0.904 58.001 59.018 -0.188 0.000 1.308 1077 C CB 1.156 28.810 27.740 -0.144 0.000 1.619 1077 C HN 0.410 nan 8.230 nan 0.000 0.469 1078 E N -0.372 119.707 120.200 -0.202 0.000 2.230 1078 E HA 0.072 4.412 4.350 -0.017 0.000 0.192 1078 E C 0.133 176.439 176.600 -0.491 0.000 0.987 1078 E CA 0.856 57.044 56.400 -0.354 0.000 0.841 1078 E CB 0.136 29.565 29.700 -0.451 0.000 0.783 1078 E HN 0.618 nan 8.360 nan 0.000 0.481 1079 H N -0.820 118.222 119.070 -0.047 0.000 2.928 1079 H HA 0.329 4.875 4.556 -0.017 0.000 0.371 1079 H C -2.352 172.953 175.328 -0.038 0.000 1.186 1079 H CA -2.519 53.504 56.048 -0.041 0.000 1.134 1079 H CB 0.981 30.717 29.762 -0.044 0.000 1.824 1079 H HN -0.140 nan 8.280 nan 0.000 0.554 1080 P HA 0.034 nan 4.420 nan 0.000 0.265 1080 P C 0.853 178.161 177.300 0.012 0.000 1.187 1080 P CA 0.156 63.276 63.100 0.032 0.000 0.766 1080 P CB 0.862 32.569 31.700 0.012 0.000 0.820 1081 L N 1.459 122.676 121.223 -0.011 0.000 2.341 1081 L HA 0.097 4.427 4.340 -0.017 0.000 0.214 1081 L C 0.734 177.547 176.870 -0.095 0.000 1.115 1081 L CA 0.594 55.408 54.840 -0.043 0.000 0.820 1081 L CB -0.242 41.798 42.059 -0.032 0.000 0.944 1081 L HN 0.291 nan 8.230 nan 0.000 0.452 1082 L N -1.154 120.018 121.223 -0.085 0.000 2.342 1082 L HA 0.464 4.794 4.340 -0.017 0.000 0.271 1082 L C -0.196 176.636 176.870 -0.063 0.000 1.008 1082 L CA -0.299 54.478 54.840 -0.105 0.000 0.818 1082 L CB 2.016 43.992 42.059 -0.137 0.000 1.296 1082 L HN -0.159 nan 8.230 nan 0.000 0.427 1083 S N 2.253 117.922 115.700 -0.052 0.000 2.526 1083 S HA 0.670 5.130 4.470 -0.017 0.000 0.293 1083 S C -2.738 171.858 174.600 -0.006 0.000 1.092 1083 S CA -1.508 56.679 58.200 -0.022 0.000 0.980 1083 S CB 2.030 65.224 63.200 -0.010 0.000 1.048 1083 S HN 0.257 nan 8.310 nan 0.000 0.483 1084 P HA 0.375 nan 4.420 nan 0.000 0.271 1084 P C -0.912 176.428 177.300 0.067 0.000 1.220 1084 P CA -0.102 63.015 63.100 0.029 0.000 0.768 1084 P CB 0.262 31.983 31.700 0.036 0.000 0.848 1085 R N 3.808 124.363 120.500 0.091 0.000 3.101 1085 R HA 0.365 4.695 4.340 -0.017 0.000 0.242 1085 R C -2.918 173.499 176.300 0.194 0.000 1.831 1085 R CA -1.850 54.350 56.100 0.167 0.000 1.321 1085 R CB 0.015 30.459 30.300 0.239 0.000 1.512 1085 R HN 0.227 nan 8.270 nan 0.000 0.568 1086 P HA -0.041 nan 4.420 nan 0.000 0.267 1086 P C -0.991 176.289 177.300 -0.034 0.000 1.201 1086 P CA 0.077 63.131 63.100 -0.077 0.000 0.775 1086 P CB 0.620 32.178 31.700 -0.236 0.000 0.854 1087 E N 1.830 121.958 120.200 -0.120 0.000 2.171 1087 E HA 0.472 4.812 4.350 -0.017 0.000 0.271 1087 E C -1.150 175.395 176.600 -0.091 0.000 0.916 1087 E CA -0.739 55.610 56.400 -0.086 0.000 0.774 1087 E CB 0.770 30.450 29.700 -0.034 0.000 1.128 1087 E HN 0.309 nan 8.360 nan 0.000 0.403 1088 M N 5.383 124.985 119.600 0.002 0.000 2.125 1088 M HA 0.327 4.797 4.480 -0.017 0.000 0.321 1088 M C -1.779 174.524 176.300 0.005 0.000 0.983 1088 M CA -0.811 54.539 55.300 0.084 0.000 0.934 1088 M CB 1.308 34.013 32.600 0.175 0.000 1.542 1088 M HN 0.295 nan 8.290 nan 0.000 0.424 1089 V N 6.126 126.040 119.914 -0.001 0.000 2.348 1089 V HA 0.363 4.473 4.120 -0.017 0.000 0.270 1089 V C -0.319 175.736 176.094 -0.066 0.000 1.037 1089 V CA -0.604 61.678 62.300 -0.031 0.000 0.872 1089 V CB 1.220 33.038 31.823 -0.010 0.000 1.002 1089 V HN 0.628 nan 8.190 nan 0.000 0.464 1090 V N 3.806 123.636 119.914 -0.141 0.000 2.435 1090 V HA 0.325 4.435 4.120 -0.017 0.000 0.290 1090 V C -0.014 175.856 176.094 -0.374 0.000 1.030 1090 V CA -0.640 61.451 62.300 -0.348 0.000 0.881 1090 V CB 1.999 33.421 31.823 -0.668 0.000 0.983 1090 V HN 0.887 nan 8.190 nan 0.000 0.445 1091 D N 3.190 123.433 120.400 -0.260 0.000 2.352 1091 D HA 0.218 4.848 4.640 -0.017 0.000 0.245 1091 D C 0.162 176.435 176.300 -0.045 0.000 1.224 1091 D CA -0.013 53.941 54.000 -0.077 0.000 0.879 1091 D CB 0.522 41.339 40.800 0.029 0.000 1.057 1091 D HN 0.368 nan 8.370 nan 0.000 0.491 1092 F N 1.147 121.225 119.950 0.214 0.000 2.727 1092 F HA 0.072 4.589 4.527 -0.016 0.000 0.302 1092 F C 2.036 177.997 175.800 0.268 0.000 1.097 1092 F CA -0.030 58.144 58.000 0.289 0.000 1.330 1092 F CB 0.280 39.418 39.000 0.231 0.000 1.084 1092 F HN 0.356 nan 8.300 nan 0.000 0.578 1093 S N -2.066 113.777 115.700 0.239 0.000 2.629 1093 S HA 0.155 4.615 4.470 -0.017 0.000 0.236 1093 S C -0.027 174.400 174.600 -0.289 0.000 1.010 1093 S CA -0.196 58.020 58.200 0.027 0.000 0.981 1093 S CB -0.127 63.109 63.200 0.060 0.000 0.919 1093 S HN 0.202 nan 8.310 nan 0.000 0.514 1094 D N 1.667 121.719 120.400 -0.580 0.000 3.133 1094 D HA -0.153 4.477 4.640 -0.017 0.000 0.239 1094 D C -1.194 174.907 176.300 -0.331 0.000 1.136 1094 D CA 0.755 54.245 54.000 -0.851 0.000 0.898 1094 D CB -1.351 38.618 40.800 -1.386 0.000 0.959 1094 D HN 0.485 nan 8.370 nan 0.000 0.415 1095 D N 1.805 122.109 120.400 -0.159 0.000 2.552 1095 D HA 0.233 4.863 4.640 -0.017 0.000 0.285 1095 D C -1.655 174.625 176.300 -0.034 0.000 1.206 1095 D CA -1.347 52.606 54.000 -0.077 0.000 0.826 1095 D CB 1.030 41.805 40.800 -0.042 0.000 1.179 1095 D HN 0.121 nan 8.370 nan 0.000 0.508 1096 P HA -0.120 nan 4.420 nan 0.000 0.220 1096 P C 0.966 178.270 177.300 0.006 0.000 1.148 1096 P CA 0.925 64.022 63.100 -0.004 0.000 0.803 1096 P CB 0.693 32.391 31.700 -0.003 0.000 0.782 1097 E N -0.032 120.168 120.200 0.001 0.000 2.107 1097 E HA -0.185 4.155 4.350 -0.017 0.000 0.191 1097 E C 2.113 178.725 176.600 0.020 0.000 0.982 1097 E CA 0.837 57.244 56.400 0.011 0.000 0.809 1097 E CB -0.272 29.430 29.700 0.004 0.000 0.756 1097 E HN 0.213 nan 8.360 nan 0.000 0.459 1098 E N 1.142 121.351 120.200 0.015 0.000 2.072 1098 E HA -0.172 4.168 4.350 -0.017 0.000 0.191 1098 E C 1.905 178.529 176.600 0.040 0.000 0.985 1098 E CA 0.549 56.964 56.400 0.025 0.000 0.801 1098 E CB -0.158 29.553 29.700 0.020 0.000 0.750 1098 E HN 0.147 nan 8.360 nan 0.000 0.452 1099 L N 0.918 122.162 121.223 0.035 0.000 2.017 1099 L HA -0.092 4.238 4.340 -0.017 0.000 0.208 1099 L C 2.486 179.406 176.870 0.083 0.000 1.073 1099 L CA 2.086 56.955 54.840 0.047 0.000 0.745 1099 L CB -0.568 41.506 42.059 0.024 0.000 0.894 1099 L HN 0.100 nan 8.230 nan 0.000 0.432 1100 R N -0.824 119.723 120.500 0.077 0.000 2.081 1100 R HA -0.166 4.164 4.340 -0.017 0.000 0.235 1100 R C 2.494 178.877 176.300 0.139 0.000 1.131 1100 R CA 1.561 57.739 56.100 0.130 0.000 0.960 1100 R CB -0.182 30.171 30.300 0.090 0.000 0.856 1100 R HN 0.333 nan 8.270 nan 0.000 0.436 1101 R N -0.042 120.507 120.500 0.081 0.000 2.091 1101 R HA -0.151 4.179 4.340 -0.017 0.000 0.238 1101 R C 2.435 178.771 176.300 0.059 0.000 1.136 1101 R CA 1.983 58.117 56.100 0.056 0.000 0.959 1101 R CB -0.129 30.192 30.300 0.035 0.000 0.856 1101 R HN 0.439 nan 8.270 nan 0.000 0.437 1102 Q N -0.983 118.865 119.800 0.079 0.000 2.123 1102 Q HA -0.188 4.142 4.340 -0.017 0.000 0.199 1102 Q C 1.790 177.853 176.000 0.106 0.000 0.966 1102 Q CA 1.244 57.094 55.803 0.077 0.000 0.845 1102 Q CB -0.134 28.651 28.738 0.079 0.000 0.907 1102 Q HN 0.373 nan 8.270 nan 0.000 0.439 1103 Y N 2.126 122.437 120.300 0.017 0.000 2.145 1103 Y HA -0.216 4.330 4.550 -0.006 0.000 0.286 1103 Y C 2.007 177.918 175.900 0.018 0.000 1.145 1103 Y CA 1.512 59.624 58.100 0.020 0.000 1.148 1103 Y CB 0.001 38.473 38.460 0.020 0.000 0.981 1103 Y HN 0.007 nan 8.280 nan 0.000 0.507 1104 E N -0.434 119.665 120.200 -0.169 0.000 2.077 1104 E HA -0.199 4.141 4.350 -0.017 0.000 0.193 1104 E C 2.472 178.958 176.600 -0.189 0.000 0.989 1104 E CA 1.257 57.495 56.400 -0.271 0.000 0.800 1104 E CB -0.665 28.989 29.700 -0.076 0.000 0.746 1104 E HN 0.450 nan 8.360 nan 0.000 0.452 1105 S N 0.093 115.738 115.700 -0.092 0.000 2.368 1105 S HA -0.107 4.353 4.470 -0.017 0.000 0.225 1105 S C 2.062 176.619 174.600 -0.072 0.000 1.030 1105 S CA 1.617 59.780 58.200 -0.062 0.000 0.999 1105 S CB -0.364 62.823 63.200 -0.021 0.000 0.844 1105 S HN 0.362 nan 8.310 nan 0.000 0.459 1106 G N 0.652 109.409 108.800 -0.073 0.000 2.394 1106 G HA2 -0.133 3.817 3.960 -0.017 0.000 0.215 1106 G HA3 -0.133 3.817 3.960 -0.017 0.000 0.215 1106 G C 1.465 176.312 174.900 -0.089 0.000 1.165 1106 G CA 0.785 45.855 45.100 -0.048 0.000 0.784 1106 G HN 0.554 nan 8.290 nan 0.000 0.535 1107 K N 0.523 120.799 120.400 -0.207 0.000 2.147 1107 K HA 0.072 4.382 4.320 -0.017 0.000 0.205 1107 K C 2.732 179.253 176.600 -0.132 0.000 1.049 1107 K CA 1.010 57.169 56.287 -0.214 0.000 0.936 1107 K CB -0.230 31.991 32.500 -0.464 0.000 0.722 1107 K HN 0.208 nan 8.250 nan 0.000 0.446 1108 A N 0.766 123.512 122.820 -0.123 0.000 1.978 1108 A HA -0.144 4.166 4.320 -0.017 0.000 0.220 1108 A C 1.962 179.521 177.584 -0.042 0.000 1.170 1108 A CA 1.296 53.288 52.037 -0.074 0.000 0.636 1108 A CB -0.338 18.622 19.000 -0.067 0.000 0.810 1108 A HN 0.320 nan 8.150 nan 0.000 0.448 1109 L N -1.346 119.857 121.223 -0.034 0.000 2.298 1109 L HA 0.094 4.424 4.340 -0.017 0.000 0.209 1109 L C -0.206 176.670 176.870 0.010 0.000 1.084 1109 L CA 0.371 55.208 54.840 -0.006 0.000 0.816 1109 L CB 0.522 42.579 42.059 -0.003 0.000 0.967 1109 L HN 0.113 nan 8.230 nan 0.000 0.460 1110 V N 0.335 120.248 119.914 -0.001 0.000 2.327 1110 V HA 0.210 4.320 4.120 -0.017 0.000 0.272 1110 V C -1.789 174.310 176.094 0.008 0.000 1.019 1110 V CA -0.917 61.392 62.300 0.017 0.000 0.814 1110 V CB 1.128 32.964 31.823 0.023 0.000 1.040 1110 V HN -0.024 nan 8.190 nan 0.000 0.440 1111 P HA -0.151 nan 4.420 nan 0.000 0.219 1111 P C 1.314 178.638 177.300 0.039 0.000 1.146 1111 P CA 1.234 64.342 63.100 0.013 0.000 0.808 1111 P CB 0.274 31.985 31.700 0.018 0.000 0.779 1112 Q N -1.894 117.937 119.800 0.052 0.000 2.444 1112 Q HA 0.070 4.400 4.340 -0.017 0.000 0.206 1112 Q C 0.614 176.681 176.000 0.110 0.000 0.948 1112 Q CA -0.245 55.606 55.803 0.079 0.000 0.946 1112 Q CB -0.399 28.382 28.738 0.072 0.000 1.027 1112 Q HN 0.214 nan 8.270 nan 0.000 0.513 1113 M N 1.492 121.151 119.600 0.099 0.000 2.261 1113 M HA -0.049 4.421 4.480 -0.017 0.000 0.350 1113 M C -0.578 175.906 176.300 0.307 0.000 1.343 1113 M CA 1.135 56.530 55.300 0.158 0.000 1.003 1113 M CB 0.337 32.993 32.600 0.093 0.000 1.848 1113 M HN -0.081 nan 8.290 nan 0.000 0.456 1114 R N 3.580 124.276 120.500 0.326 0.000 2.803 1114 R HA 0.681 5.011 4.340 -0.017 0.000 0.276 1114 R C -1.567 174.787 176.300 0.091 0.000 0.978 1114 R CA -1.184 55.074 56.100 0.262 0.000 0.939 1114 R CB 1.395 31.806 30.300 0.185 0.000 1.179 1114 R HN 0.636 nan 8.270 nan 0.000 0.472 1115 L N 3.252 124.299 121.223 -0.294 0.000 2.265 1115 L HA 0.421 4.751 4.340 -0.017 0.000 0.289 1115 L C -1.240 175.494 176.870 -0.226 0.000 1.033 1115 L CA -0.058 54.495 54.840 -0.478 0.000 0.814 1115 L CB 0.813 42.279 42.059 -0.988 0.000 1.203 1115 L HN 0.442 nan 8.230 nan 0.000 0.423 1116 L N 3.628 124.766 121.223 -0.141 0.000 2.331 1116 L HA 0.515 4.845 4.340 -0.017 0.000 0.275 1116 L C -0.340 176.462 176.870 -0.114 0.000 1.022 1116 L CA -1.133 53.637 54.840 -0.117 0.000 0.812 1116 L CB 1.680 43.677 42.059 -0.103 0.000 1.257 1116 L HN 0.626 nan 8.230 nan 0.000 0.435 1117 D N 1.065 121.402 120.400 -0.105 0.000 2.423 1117 D HA 0.280 4.910 4.640 -0.017 0.000 0.255 1117 D C 0.833 177.070 176.300 -0.106 0.000 1.174 1117 D CA -0.296 53.649 54.000 -0.092 0.000 1.008 1117 D CB 1.100 41.854 40.800 -0.078 0.000 1.101 1117 D HN 0.517 nan 8.370 nan 0.000 0.516 1118 A N 0.099 122.852 122.820 -0.112 0.000 1.933 1118 A HA -0.210 4.100 4.320 -0.017 0.000 0.218 1118 A C 1.866 179.370 177.584 -0.134 0.000 1.175 1118 A CA 1.708 53.657 52.037 -0.148 0.000 0.628 1118 A CB -0.907 17.979 19.000 -0.190 0.000 0.814 1118 A HN 0.638 nan 8.150 nan 0.000 0.444 1119 E N 0.152 120.286 120.200 -0.110 0.000 2.085 1119 E HA -0.213 4.127 4.350 -0.017 0.000 0.194 1119 E C 2.154 178.693 176.600 -0.103 0.000 0.994 1119 E CA 1.661 58.003 56.400 -0.097 0.000 0.801 1119 E CB -0.339 29.314 29.700 -0.078 0.000 0.743 1119 E HN 0.770 nan 8.360 nan 0.000 0.453 1120 Q N -0.046 119.688 119.800 -0.110 0.000 2.119 1120 Q HA -0.067 4.263 4.340 -0.017 0.000 0.201 1120 Q C 2.241 178.153 176.000 -0.147 0.000 0.972 1120 Q CA 1.309 57.036 55.803 -0.127 0.000 0.847 1120 Q CB -0.204 28.453 28.738 -0.134 0.000 0.903 1120 Q HN 0.335 nan 8.270 nan 0.000 0.433 1121 A N 0.206 122.941 122.820 -0.143 0.000 1.902 1121 A HA -0.195 4.115 4.320 -0.017 0.000 0.217 1121 A C 2.252 179.747 177.584 -0.149 0.000 1.181 1121 A CA 1.332 53.281 52.037 -0.147 0.000 0.623 1121 A CB -0.877 18.029 19.000 -0.157 0.000 0.818 1121 A HN 0.502 nan 8.150 nan 0.000 0.443 1122 C N -0.624 118.595 119.300 -0.136 0.000 2.446 1122 C HA 0.010 4.460 4.460 -0.017 0.000 0.279 1122 C C 3.172 178.090 174.990 -0.120 0.000 1.366 1122 C CA 1.038 59.981 59.018 -0.126 0.000 1.763 1122 C CB -1.216 26.462 27.740 -0.104 0.000 1.929 1122 C HN 0.605 nan 8.230 nan 0.000 0.509 1123 S N 1.081 116.715 115.700 -0.110 0.000 2.402 1123 S HA -0.024 4.436 4.470 -0.017 0.000 0.229 1123 S C 1.594 176.134 174.600 -0.099 0.000 1.021 1123 S CA 1.191 59.338 58.200 -0.089 0.000 0.974 1123 S CB -0.244 62.904 63.200 -0.085 0.000 0.800 1123 S HN 0.609 nan 8.310 nan 0.000 0.484 1124 I N 0.624 121.112 120.570 -0.137 0.000 2.406 1124 I HA 0.006 4.166 4.170 -0.017 0.000 0.249 1124 I C 0.054 176.030 176.117 -0.235 0.000 1.122 1124 I CA 0.787 62.007 61.300 -0.133 0.000 1.431 1124 I CB 0.176 38.087 38.000 -0.149 0.000 1.087 1124 I HN 0.022 nan 8.210 nan 0.000 0.424 1125 V N 3.100 122.806 119.914 -0.347 0.000 2.289 1125 V HA 0.206 4.316 4.120 -0.017 0.000 0.272 1125 V C -1.805 174.012 176.094 -0.462 0.000 1.026 1125 V CA -0.903 60.967 62.300 -0.716 0.000 0.807 1125 V CB 1.090 32.486 31.823 -0.711 0.000 1.044 1125 V HN 0.049 nan 8.190 nan 0.000 0.443 1126 P HA -0.052 nan 4.420 nan 0.000 0.237 1126 P C 1.362 178.613 177.300 -0.081 0.000 1.178 1126 P CA 0.820 63.849 63.100 -0.117 0.000 0.766 1126 P CB 0.176 31.877 31.700 0.002 0.000 0.876 1127 V N -4.224 115.609 119.914 -0.135 0.000 3.461 1127 V HA 0.059 4.169 4.120 -0.017 0.000 0.267 1127 V C 1.011 177.079 176.094 -0.044 0.000 1.186 1127 V CA 0.111 62.392 62.300 -0.030 0.000 1.154 1127 V CB -1.414 30.451 31.823 0.070 0.000 0.802 1127 V HN -0.115 nan 8.190 nan 0.000 0.474 1128 L N 1.851 123.026 121.223 -0.081 0.000 2.485 1128 L HA 0.248 4.578 4.340 -0.017 0.000 0.275 1128 L C 0.787 177.659 176.870 0.004 0.000 1.207 1128 L CA -0.064 54.778 54.840 0.002 0.000 0.855 1128 L CB 0.198 42.253 42.059 -0.006 0.000 1.114 1128 L HN 0.197 nan 8.230 nan 0.000 0.485 1129 R N 2.592 123.116 120.500 0.039 0.000 2.288 1129 R HA 0.029 4.359 4.340 -0.017 0.000 0.330 1129 R C 0.944 177.233 176.300 -0.018 0.000 1.069 1129 R CA -0.272 55.832 56.100 0.006 0.000 0.941 1129 R CB 0.567 30.874 30.300 0.010 0.000 0.998 1129 R HN 0.461 nan 8.270 nan 0.000 0.452 1130 R N 2.435 122.902 120.500 -0.056 0.000 2.117 1130 R HA -0.167 4.163 4.340 -0.017 0.000 0.243 1130 R C 0.574 176.779 176.300 -0.159 0.000 1.143 1130 R CA 1.852 57.888 56.100 -0.107 0.000 0.968 1130 R CB -0.116 30.128 30.300 -0.092 0.000 0.863 1130 R HN 0.512 nan 8.270 nan 0.000 0.444 1131 D N -0.062 120.272 120.400 -0.110 0.000 2.263 1131 D HA -0.102 4.528 4.640 -0.017 0.000 0.208 1131 D C 0.959 177.158 176.300 -0.168 0.000 0.971 1131 D CA 0.935 54.858 54.000 -0.128 0.000 0.867 1131 D CB 0.110 40.886 40.800 -0.041 0.000 0.929 1131 D HN 0.193 nan 8.370 nan 0.000 0.492 1132 K N 0.006 120.358 120.400 -0.079 0.000 2.374 1132 K HA 0.153 4.463 4.320 -0.017 0.000 0.196 1132 K C 0.052 176.661 176.600 0.016 0.000 1.023 1132 K CA 0.001 56.345 56.287 0.096 0.000 1.103 1132 K CB 1.296 33.947 32.500 0.253 0.000 0.848 1132 K HN 0.009 nan 8.250 nan 0.000 0.528 1133 V N 1.580 121.279 119.914 -0.359 0.000 2.435 1133 V HA 0.279 4.389 4.120 -0.017 0.000 0.290 1133 V C 0.094 175.757 176.094 -0.718 0.000 1.030 1133 V CA -0.474 61.577 62.300 -0.417 0.000 0.881 1133 V CB 1.105 32.754 31.823 -0.291 0.000 0.983 1133 V HN 0.060 nan 8.190 nan 0.000 0.445 1134 F N 2.318 122.188 119.950 -0.134 0.000 2.746 1134 F HA 0.649 5.165 4.527 -0.018 0.000 0.320 1134 F C 1.121 176.859 175.800 -0.104 0.000 1.097 1134 F CA 0.427 58.374 58.000 -0.087 0.000 1.195 1134 F CB 1.008 39.976 39.000 -0.053 0.000 1.056 1134 F HN 0.764 nan 8.300 nan 0.000 0.562 1135 G N 0.353 109.124 108.800 -0.049 0.000 2.361 1135 G HA2 0.505 4.455 3.960 -0.017 0.000 0.331 1135 G HA3 0.505 4.455 3.960 -0.017 0.000 0.331 1135 G C -1.935 172.902 174.900 -0.103 0.000 1.324 1135 G CA -0.326 44.732 45.100 -0.069 0.000 0.984 1135 G HN 0.522 nan 8.290 nan 0.000 0.586 1136 A N -1.190 121.578 122.820 -0.087 0.000 2.601 1136 A HA 1.044 5.354 4.320 -0.017 0.000 0.291 1136 A C -0.028 177.544 177.584 -0.020 0.000 1.075 1136 A CA 0.601 52.597 52.037 -0.069 0.000 0.671 1136 A CB 1.160 20.113 19.000 -0.079 0.000 1.277 1136 A HN 2.439 nan 8.150 nan 0.000 0.417 1137 T N -1.749 112.824 114.554 0.032 0.000 2.943 1137 T HA 0.679 5.019 4.350 -0.017 0.000 0.284 1137 T C -0.883 173.917 174.700 0.167 0.000 1.015 1137 T CA -0.423 61.739 62.100 0.103 0.000 1.042 1137 T CB 1.349 70.303 68.868 0.144 0.000 1.055 1137 T HN 1.274 nan 8.240 nan 0.000 0.500 1138 Y N 1.064 121.390 120.300 0.044 0.000 2.354 1138 Y HA 0.462 5.002 4.550 -0.017 0.000 0.330 1138 Y C -1.465 174.477 175.900 0.070 0.000 1.011 1138 Y CA -1.214 56.909 58.100 0.039 0.000 1.099 1138 Y CB 1.811 40.282 38.460 0.019 0.000 1.179 1138 Y HN 0.824 nan 8.280 nan 0.000 0.442 1139 D N 8.306 128.482 120.400 -0.375 0.000 2.454 1139 D HA 0.383 5.013 4.640 -0.017 0.000 0.225 1139 D C -2.312 173.733 176.300 -0.426 0.000 1.081 1139 D CA -2.654 51.198 54.000 -0.247 0.000 0.864 1139 D CB 1.986 42.725 40.800 -0.100 0.000 1.040 1139 D HN 0.304 nan 8.370 nan 0.000 0.517 1140 P HA -0.020 nan 4.420 nan 0.000 0.234 1140 P C 0.969 178.227 177.300 -0.070 0.000 1.167 1140 P CA 0.857 63.837 63.100 -0.200 0.000 0.763 1140 P CB 0.179 31.899 31.700 0.034 0.000 0.835 1141 T N -4.888 109.643 114.554 -0.038 0.000 3.086 1141 T HA 0.256 4.596 4.350 -0.017 0.000 0.250 1141 T C 1.067 175.802 174.700 0.058 0.000 1.074 1141 T CA -0.236 61.880 62.100 0.027 0.000 0.988 1141 T CB -0.641 68.264 68.868 0.062 0.000 0.988 1141 T HN -0.019 nan 8.240 nan 0.000 0.530 1142 G N 0.838 109.660 108.800 0.036 0.000 2.614 1142 G HA2 0.522 4.472 3.960 -0.017 0.000 0.239 1142 G HA3 0.522 4.472 3.960 -0.017 0.000 0.239 1142 G C -0.338 174.566 174.900 0.006 0.000 1.240 1142 G CA -0.151 44.986 45.100 0.060 0.000 0.842 1142 G HN 0.847 nan 8.290 nan 0.000 0.584 1143 A N 1.097 123.819 122.820 -0.164 0.000 2.549 1143 A HA 0.614 4.924 4.320 -0.017 0.000 0.297 1143 A C -0.982 176.463 177.584 -0.232 0.000 1.061 1143 A CA -0.757 51.200 52.037 -0.132 0.000 0.690 1143 A CB 1.629 20.546 19.000 -0.138 0.000 1.287 1143 A HN 0.548 nan 8.150 nan 0.000 0.402 1144 D N 1.005 121.384 120.400 -0.034 0.000 2.302 1144 D HA 0.495 5.125 4.640 -0.017 0.000 0.248 1144 D C -0.295 175.969 176.300 -0.061 0.000 1.094 1144 D CA 0.517 54.528 54.000 0.017 0.000 0.897 1144 D CB 1.131 41.973 40.800 0.071 0.000 1.200 1144 D HN 0.417 nan 8.370 nan 0.000 0.429 1145 I N 1.254 121.786 120.570 -0.064 0.000 2.377 1145 I HA 0.075 4.235 4.170 -0.017 0.000 0.293 1145 I C 0.347 176.413 176.117 -0.086 0.000 0.987 1145 I CA -0.805 60.416 61.300 -0.131 0.000 1.185 1145 I CB 1.523 39.412 38.000 -0.185 0.000 1.341 1145 I HN 0.089 nan 8.210 nan 0.000 0.455 1146 D N 4.899 125.245 120.400 -0.091 0.000 2.470 1146 D HA 0.008 4.638 4.640 -0.017 0.000 0.226 1146 D C 1.436 177.702 176.300 -0.057 0.000 1.196 1146 D CA -0.059 53.906 54.000 -0.058 0.000 0.979 1146 D CB 0.799 41.573 40.800 -0.044 0.000 1.059 1146 D HN 0.728 nan 8.370 nan 0.000 0.515 1147 T N 0.571 115.099 114.554 -0.044 0.000 2.746 1147 T HA -0.229 4.111 4.350 -0.017 0.000 0.267 1147 T C 1.544 176.256 174.700 0.020 0.000 1.039 1147 T CA 1.293 63.379 62.100 -0.023 0.000 1.142 1147 T CB -0.134 68.723 68.868 -0.018 0.000 0.866 1147 T HN 0.224 nan 8.240 nan 0.000 0.444 1148 D N 1.763 122.168 120.400 0.007 0.000 2.117 1148 D HA 0.069 4.699 4.640 -0.017 0.000 0.198 1148 D C 2.379 178.674 176.300 -0.008 0.000 0.982 1148 D CA 1.331 55.347 54.000 0.028 0.000 0.828 1148 D CB -0.611 40.184 40.800 -0.008 0.000 0.967 1148 D HN 0.521 nan 8.370 nan 0.000 0.464 1149 A N 0.008 122.805 122.820 -0.039 0.000 1.902 1149 A HA -0.109 4.201 4.320 -0.017 0.000 0.217 1149 A C 2.143 179.656 177.584 -0.120 0.000 1.181 1149 A CA 1.363 53.351 52.037 -0.082 0.000 0.623 1149 A CB -0.846 18.121 19.000 -0.054 0.000 0.818 1149 A HN 0.384 nan 8.150 nan 0.000 0.443 1150 L N -0.804 120.385 121.223 -0.057 0.000 2.005 1150 L HA -0.165 4.165 4.340 -0.017 0.000 0.207 1150 L C 2.372 179.165 176.870 -0.130 0.000 1.072 1150 L CA 2.751 57.550 54.840 -0.069 0.000 0.744 1150 L CB -0.904 41.127 42.059 -0.047 0.000 0.895 1150 L HN 0.635 nan 8.230 nan 0.000 0.433 1151 H N -1.469 117.559 119.070 -0.070 0.000 2.319 1151 H HA -0.160 4.386 4.556 -0.017 0.000 0.299 1151 H C 1.953 177.275 175.328 -0.011 0.000 1.092 1151 H CA 1.438 57.522 56.048 0.060 0.000 1.302 1151 H CB 0.364 30.167 29.762 0.067 0.000 1.373 1151 H HN 0.414 nan 8.280 nan 0.000 0.497 1152 Q N -0.081 119.641 119.800 -0.129 0.000 2.167 1152 Q HA -0.070 4.260 4.340 -0.017 0.000 0.202 1152 Q C 2.521 178.336 176.000 -0.308 0.000 0.970 1152 Q CA 1.023 56.684 55.803 -0.237 0.000 0.855 1152 Q CB -0.556 28.063 28.738 -0.198 0.000 0.911 1152 Q HN 0.614 nan 8.270 nan 0.000 0.438 1153 G N -0.309 108.191 108.800 -0.500 0.000 2.418 1153 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.217 1153 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.217 1153 G C 1.054 175.539 174.900 -0.691 0.000 1.158 1153 G CA 0.510 44.967 45.100 -1.072 0.000 0.771 1153 G HN 0.263 nan 8.290 nan 0.000 0.545 1154 Y N 0.710 120.887 120.300 -0.205 0.000 2.145 1154 Y HA 0.018 4.557 4.550 -0.018 0.000 0.286 1154 Y C 2.814 178.728 175.900 0.024 0.000 1.145 1154 Y CA 0.568 58.632 58.100 -0.060 0.000 1.148 1154 Y CB -0.735 37.777 38.460 0.086 0.000 0.981 1154 Y HN 0.073 nan 8.280 nan 0.000 0.507 1155 L N -0.586 120.703 121.223 0.109 0.000 2.056 1155 L HA -0.200 4.130 4.340 -0.017 0.000 0.207 1155 L C 2.653 179.528 176.870 0.008 0.000 1.078 1155 L CA 1.458 56.318 54.840 0.033 0.000 0.749 1155 L CB -0.482 41.522 42.059 -0.091 0.000 0.901 1155 L HN 0.100 nan 8.230 nan 0.000 0.433 1156 R N 0.370 120.834 120.500 -0.060 0.000 2.096 1156 R HA -0.131 4.199 4.340 -0.017 0.000 0.235 1156 R C 2.247 178.558 176.300 0.019 0.000 1.127 1156 R CA 1.392 57.455 56.100 -0.062 0.000 0.968 1156 R CB -0.440 29.773 30.300 -0.145 0.000 0.861 1156 R HN 0.369 nan 8.270 nan 0.000 0.440 1157 G N 1.190 110.064 108.800 0.122 0.000 2.418 1157 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.217 1157 G HA3 -0.235 3.715 3.960 -0.017 0.000 0.217 1157 G C 1.462 176.466 174.900 0.172 0.000 1.158 1157 G CA 0.916 46.193 45.100 0.295 0.000 0.771 1157 G HN 0.281 nan 8.290 nan 0.000 0.545 1158 I N 0.185 120.860 120.570 0.174 0.000 2.163 1158 I HA -0.200 3.960 4.170 -0.017 0.000 0.243 1158 I C 3.062 179.200 176.117 0.034 0.000 1.085 1158 I CA 1.202 62.550 61.300 0.081 0.000 1.347 1158 I CB -0.221 37.828 38.000 0.082 0.000 1.044 1158 I HN 0.105 nan 8.210 nan 0.000 0.408 1159 R N 0.440 120.955 120.500 0.025 0.000 2.092 1159 R HA -0.086 4.244 4.340 -0.017 0.000 0.231 1159 R C 2.352 178.651 176.300 -0.000 0.000 1.119 1159 R CA 0.986 57.087 56.100 0.002 0.000 0.970 1159 R CB -0.305 29.987 30.300 -0.014 0.000 0.864 1159 R HN 0.364 nan 8.270 nan 0.000 0.440 1160 R N 0.371 120.874 120.500 0.005 0.000 2.237 1160 R HA -0.005 4.325 4.340 -0.017 0.000 0.219 1160 R C 0.671 176.965 176.300 -0.011 0.000 1.080 1160 R CA 0.621 56.720 56.100 -0.002 0.000 0.995 1160 R CB -0.021 30.283 30.300 0.006 0.000 0.875 1160 R HN 0.156 nan 8.270 nan 0.000 0.462 1161 N N 0.881 119.573 118.700 -0.014 0.000 2.320 1161 N HA -0.001 4.729 4.740 -0.017 0.000 0.237 1161 N C -0.358 175.145 175.510 -0.012 0.000 1.129 1161 N CA 0.155 53.187 53.050 -0.030 0.000 0.854 1161 N CB 0.857 39.306 38.487 -0.063 0.000 1.083 1161 N HN 0.044 nan 8.380 nan 0.000 0.504 1162 Q N -2.156 117.642 119.800 -0.004 0.000 2.416 1162 Q HA -0.132 4.198 4.340 -0.017 0.000 0.235 1162 Q C 0.560 176.566 176.000 0.011 0.000 0.773 1162 Q CA 1.069 56.873 55.803 0.003 0.000 1.286 1162 Q CB -2.259 26.481 28.738 0.004 0.000 1.556 1162 Q HN 0.468 nan 8.270 nan 0.000 0.650 1163 G N 0.213 109.021 108.800 0.013 0.000 2.599 1163 G HA2 0.420 4.370 3.960 -0.017 0.000 0.264 1163 G HA3 0.420 4.370 3.960 -0.017 0.000 0.264 1163 G C -0.139 174.762 174.900 0.002 0.000 1.200 1163 G CA -0.388 44.724 45.100 0.020 0.000 0.896 1163 G HN 0.084 nan 8.290 nan 0.000 0.536 1164 Q N -1.038 118.756 119.800 -0.009 0.000 2.342 1164 Q HA 0.501 4.831 4.340 -0.017 0.000 0.267 1164 Q C -1.208 174.750 176.000 -0.070 0.000 1.038 1164 Q CA -0.755 55.024 55.803 -0.041 0.000 0.832 1164 Q CB 2.929 31.636 28.738 -0.052 0.000 1.323 1164 Q HN 0.249 nan 8.270 nan 0.000 0.448 1165 V N 4.053 123.918 119.914 -0.083 0.000 2.349 1165 V HA 0.343 4.453 4.120 -0.017 0.000 0.284 1165 V C -0.610 175.400 176.094 -0.139 0.000 1.014 1165 V CA -0.490 61.754 62.300 -0.093 0.000 0.826 1165 V CB 0.937 32.725 31.823 -0.058 0.000 1.009 1165 V HN 0.597 nan 8.190 nan 0.000 0.431 1166 L N 4.517 125.605 121.223 -0.225 0.000 2.277 1166 L HA 0.494 4.824 4.340 -0.017 0.000 0.284 1166 L C -0.023 176.743 176.870 -0.173 0.000 1.028 1166 L CA -0.170 54.459 54.840 -0.353 0.000 0.835 1166 L CB 1.242 42.790 42.059 -0.852 0.000 1.215 1166 L HN 0.563 nan 8.230 nan 0.000 0.425 1167 C N 1.651 120.929 119.300 -0.038 0.000 2.403 1167 C HA 0.184 4.634 4.460 -0.017 0.000 0.361 1167 C C 1.283 176.371 174.990 0.164 0.000 1.274 1167 C CA -0.352 58.689 59.018 0.038 0.000 2.433 1167 C CB 0.398 28.142 27.740 0.006 0.000 2.323 1167 C HN 1.048 nan 8.230 nan 0.000 0.614 1168 N N -0.310 118.441 118.700 0.085 0.000 2.725 1168 N HA -0.192 4.538 4.740 -0.017 0.000 0.249 1168 N C -0.969 174.553 175.510 0.021 0.000 1.103 1168 N CA 0.555 53.632 53.050 0.045 0.000 0.707 1168 N CB -1.364 37.137 38.487 0.023 0.000 1.043 1168 N HN 0.783 nan 8.380 nan 0.000 0.553 1169 H N -0.118 118.920 119.070 -0.055 0.000 2.386 1169 H HA 0.222 4.768 4.556 -0.016 0.000 0.232 1169 H C -0.362 174.925 175.328 -0.068 0.000 1.416 1169 H CA -0.608 55.405 56.048 -0.058 0.000 1.285 1169 H CB 0.255 29.951 29.762 -0.109 0.000 1.625 1169 H HN 0.273 nan 8.280 nan 0.000 0.521 1170 E N 1.375 121.569 120.200 -0.010 0.000 2.465 1170 E HA 0.264 4.604 4.350 -0.017 0.000 0.260 1170 E C -0.110 176.486 176.600 -0.008 0.000 0.980 1170 E CA -0.404 55.977 56.400 -0.031 0.000 0.927 1170 E CB 0.608 30.276 29.700 -0.053 0.000 0.934 1170 E HN 0.561 nan 8.360 nan 0.000 0.459 1171 A N 5.583 128.397 122.820 -0.010 0.000 2.444 1171 A HA 0.165 4.475 4.320 -0.017 0.000 0.273 1171 A C 0.614 178.211 177.584 0.022 0.000 1.136 1171 A CA -0.160 51.887 52.037 0.017 0.000 0.799 1171 A CB 0.130 19.134 19.000 0.007 0.000 1.081 1171 A HN 0.827 nan 8.150 nan 0.000 0.509 1172 L N 1.201 122.446 121.223 0.037 0.000 2.425 1172 L HA 0.227 4.557 4.340 -0.017 0.000 0.215 1172 L C 0.612 177.513 176.870 0.052 0.000 1.065 1172 L CA 0.701 55.563 54.840 0.036 0.000 0.842 1172 L CB 0.048 42.125 42.059 0.029 0.000 1.033 1172 L HN 0.704 nan 8.230 nan 0.000 0.474 1173 E N 0.049 120.288 120.200 0.065 0.000 2.356 1173 E HA 0.610 4.950 4.350 -0.017 0.000 0.275 1173 E C -1.223 175.441 176.600 0.106 0.000 0.904 1173 E CA -0.497 55.950 56.400 0.079 0.000 0.757 1173 E CB 3.190 32.931 29.700 0.070 0.000 1.232 1173 E HN -0.037 nan 8.360 nan 0.000 0.442 1174 I N 1.729 122.380 120.570 0.136 0.000 2.571 1174 I HA 0.484 4.644 4.170 -0.017 0.000 0.289 1174 I C -0.738 175.552 176.117 0.288 0.000 1.115 1174 I CA -0.621 60.803 61.300 0.207 0.000 1.045 1174 I CB 2.120 40.217 38.000 0.162 0.000 1.238 1174 I HN 0.288 nan 8.210 nan 0.000 0.424 1175 R N 3.912 124.622 120.500 0.348 0.000 2.626 1175 R HA 0.536 4.866 4.340 -0.017 0.000 0.274 1175 R C -1.165 175.233 176.300 0.163 0.000 1.031 1175 R CA -0.965 55.293 56.100 0.265 0.000 0.898 1175 R CB 2.387 32.763 30.300 0.126 0.000 1.222 1175 R HN 0.570 nan 8.270 nan 0.000 0.455 1176 R N 2.750 123.167 120.500 -0.139 0.000 2.216 1176 R HA 0.384 4.714 4.340 -0.017 0.000 0.332 1176 R C -1.557 174.597 176.300 -0.243 0.000 1.056 1176 R CA -0.079 55.703 56.100 -0.530 0.000 0.901 1176 R CB 1.007 30.721 30.300 -0.976 0.000 1.039 1176 R HN 0.282 nan 8.270 nan 0.000 0.456 1177 V N 4.951 124.764 119.914 -0.169 0.000 2.569 1177 V HA 0.220 4.330 4.120 -0.017 0.000 0.301 1177 V C -0.852 175.191 176.094 -0.084 0.000 1.044 1177 V CA -0.932 61.313 62.300 -0.091 0.000 0.874 1177 V CB 1.866 33.669 31.823 -0.034 0.000 1.002 1177 V HN 0.936 nan 8.190 nan 0.000 0.424 1178 D N 4.003 124.357 120.400 -0.077 0.000 2.697 1178 D HA -0.176 4.454 4.640 -0.017 0.000 0.235 1178 D C 1.294 177.551 176.300 -0.071 0.000 1.167 1178 D CA 1.875 55.839 54.000 -0.062 0.000 0.656 1178 D CB -1.029 39.748 40.800 -0.038 0.000 1.025 1178 D HN 1.570 nan 8.370 nan 0.000 0.419 1179 G N -1.637 107.099 108.800 -0.107 0.000 2.153 1179 G HA2 0.038 3.988 3.960 -0.017 0.000 0.252 1179 G HA3 0.038 3.988 3.960 -0.017 0.000 0.252 1179 G C 0.314 175.150 174.900 -0.106 0.000 0.994 1179 G CA 0.651 45.686 45.100 -0.107 0.000 0.698 1179 G HN 1.388 nan 8.290 nan 0.000 0.521 1180 A N -1.396 121.344 122.820 -0.133 0.000 2.556 1180 A HA 0.717 5.027 4.320 -0.017 0.000 0.294 1180 A C -0.697 176.813 177.584 -0.124 0.000 1.091 1180 A CA -0.776 51.221 52.037 -0.068 0.000 0.704 1180 A CB 0.894 19.903 19.000 0.015 0.000 1.300 1180 A HN 0.712 nan 8.150 nan 0.000 0.406 1181 W N 0.892 122.236 121.300 0.074 0.000 2.311 1181 W HA 0.504 5.154 4.660 -0.016 0.000 0.310 1181 W C 0.642 177.207 176.519 0.077 0.000 1.274 1181 W CA 0.450 57.847 57.345 0.087 0.000 1.215 1181 W CB 0.842 30.368 29.460 0.111 0.000 1.227 1181 W HN 0.743 nan 8.180 nan 0.000 0.523 1182 E N 2.895 123.292 120.200 0.328 0.000 2.165 1182 E HA 0.429 4.769 4.350 -0.017 0.000 0.266 1182 E C -1.510 175.225 176.600 0.226 0.000 0.889 1182 E CA -0.569 55.959 56.400 0.214 0.000 0.756 1182 E CB 1.277 31.048 29.700 0.119 0.000 1.131 1182 E HN 0.205 nan 8.360 nan 0.000 0.411 1183 V N 5.286 125.331 119.914 0.218 0.000 2.398 1183 V HA 0.377 4.487 4.120 -0.017 0.000 0.286 1183 V C 0.157 176.365 176.094 0.190 0.000 1.026 1183 V CA -0.663 61.753 62.300 0.193 0.000 0.868 1183 V CB 1.378 33.306 31.823 0.174 0.000 0.982 1183 V HN 0.635 nan 8.190 nan 0.000 0.443 1184 R N 3.472 124.049 120.500 0.129 0.000 2.221 1184 R HA 0.550 4.880 4.340 -0.017 0.000 0.327 1184 R C -0.813 175.553 176.300 0.109 0.000 1.033 1184 R CA -0.272 55.886 56.100 0.096 0.000 0.887 1184 R CB 0.747 31.070 30.300 0.038 0.000 1.057 1184 R HN 0.817 nan 8.270 nan 0.000 0.455 1185 C N 2.114 121.500 119.300 0.145 0.000 2.423 1185 C HA 0.207 4.657 4.460 -0.017 0.000 0.378 1185 C C 1.337 176.343 174.990 0.026 0.000 1.244 1185 C CA -0.616 58.459 59.018 0.094 0.000 1.978 1185 C CB 1.465 29.299 27.740 0.158 0.000 2.252 1185 C HN 0.930 nan 8.230 nan 0.000 0.526 1186 D N 0.384 120.760 120.400 -0.041 0.000 2.312 1186 D HA -0.001 4.629 4.640 -0.017 0.000 0.211 1186 D C 1.184 177.469 176.300 -0.025 0.000 0.964 1186 D CA 1.297 55.273 54.000 -0.039 0.000 0.877 1186 D CB -0.116 40.645 40.800 -0.064 0.000 0.924 1186 D HN 0.545 nan 8.370 nan 0.000 0.515 1187 A N -0.788 122.014 122.820 -0.030 0.000 2.382 1187 A HA 0.678 4.989 4.320 -0.017 0.000 0.228 1187 A C 1.000 178.628 177.584 0.074 0.000 1.217 1187 A CA 0.298 52.350 52.037 0.025 0.000 0.923 1187 A CB 0.549 19.553 19.000 0.007 0.000 0.979 1187 A HN 0.462 nan 8.150 nan 0.000 0.515 1188 G N -1.734 107.107 108.800 0.067 0.000 2.322 1188 G HA2 0.461 4.411 3.960 -0.017 0.000 0.295 1188 G HA3 0.461 4.411 3.960 -0.017 0.000 0.295 1188 G C -1.143 173.742 174.900 -0.024 0.000 1.369 1188 G CA -0.026 45.090 45.100 0.026 0.000 0.821 1188 G HN 0.247 nan 8.290 nan 0.000 0.536 1189 S N -1.129 114.475 115.700 -0.160 0.000 2.621 1189 S HA 0.840 5.300 4.470 -0.017 0.000 0.302 1189 S C -1.529 172.832 174.600 -0.398 0.000 1.093 1189 S CA -0.382 57.753 58.200 -0.108 0.000 1.017 1189 S CB 1.382 64.543 63.200 -0.065 0.000 1.077 1189 S HN 0.455 nan 8.310 nan 0.000 0.517 1190 Y N 0.488 120.828 120.300 0.067 0.000 2.462 1190 Y HA 0.591 5.131 4.550 -0.016 0.000 0.346 1190 Y C 0.265 176.211 175.900 0.076 0.000 0.976 1190 Y CA -0.890 57.251 58.100 0.068 0.000 1.044 1190 Y CB 1.628 40.125 38.460 0.061 0.000 1.230 1190 Y HN 0.385 nan 8.280 nan 0.000 0.455 1191 R N 1.846 122.454 120.500 0.180 0.000 2.628 1191 R HA 0.930 5.260 4.340 -0.017 0.000 0.288 1191 R C -1.396 174.983 176.300 0.132 0.000 0.980 1191 R CA -1.048 55.139 56.100 0.144 0.000 0.891 1191 R CB 2.234 32.582 30.300 0.080 0.000 1.188 1191 R HN 0.753 nan 8.270 nan 0.000 0.450 1192 A N 0.804 123.717 122.820 0.154 0.000 2.612 1192 A HA 0.631 4.941 4.320 -0.017 0.000 0.293 1192 A C -0.005 177.680 177.584 0.168 0.000 1.075 1192 A CA -0.261 51.846 52.037 0.116 0.000 0.680 1192 A CB 1.404 20.462 19.000 0.097 0.000 1.279 1192 A HN 0.738 nan 8.150 nan 0.000 0.411 1193 A N 0.149 123.040 122.820 0.118 0.000 2.015 1193 A HA 0.373 4.683 4.320 -0.017 0.000 0.219 1193 A C 0.691 178.467 177.584 0.321 0.000 1.163 1193 A CA 1.797 53.931 52.037 0.162 0.000 0.646 1193 A CB -0.293 18.769 19.000 0.104 0.000 0.806 1193 A HN 1.245 nan 8.150 nan 0.000 0.448 1194 V N 0.169 120.266 119.914 0.306 0.000 2.487 1194 V HA 0.458 4.568 4.120 -0.017 0.000 0.298 1194 V C -0.865 175.361 176.094 0.221 0.000 1.028 1194 V CA -0.608 61.906 62.300 0.357 0.000 0.860 1194 V CB 1.546 33.583 31.823 0.358 0.000 0.991 1194 V HN 0.351 nan 8.190 nan 0.000 0.427 1195 L N 6.572 127.829 121.223 0.056 0.000 2.280 1195 L HA 0.614 4.944 4.340 -0.017 0.000 0.287 1195 L C -0.435 176.195 176.870 -0.399 0.000 1.023 1195 L CA 0.056 54.736 54.840 -0.267 0.000 0.819 1195 L CB 1.580 43.241 42.059 -0.664 0.000 1.212 1195 L HN 0.458 nan 8.230 nan 0.000 0.420 1196 V N 4.924 124.674 119.914 -0.274 0.000 2.348 1196 V HA 0.322 4.432 4.120 -0.017 0.000 0.270 1196 V C 0.137 176.036 176.094 -0.326 0.000 1.037 1196 V CA -0.640 61.507 62.300 -0.256 0.000 0.872 1196 V CB 0.899 32.628 31.823 -0.156 0.000 1.002 1196 V HN 0.766 nan 8.190 nan 0.000 0.464 1197 N N 4.547 122.958 118.700 -0.481 0.000 2.482 1197 N HA 0.382 5.112 4.740 -0.017 0.000 0.242 1197 N C 0.215 175.653 175.510 -0.121 0.000 1.100 1197 N CA -0.085 52.722 53.050 -0.406 0.000 0.946 1197 N CB 1.315 39.364 38.487 -0.730 0.000 1.227 1197 N HN 0.762 nan 8.380 nan 0.000 0.508 1198 A N 2.660 125.446 122.820 -0.057 0.000 2.749 1198 A HA 0.523 4.833 4.320 -0.017 0.000 0.299 1198 A C 0.861 178.481 177.584 0.059 0.000 1.105 1198 A CA -0.325 51.723 52.037 0.018 0.000 0.987 1198 A CB -0.195 18.807 19.000 0.004 0.000 1.180 1198 A HN 0.580 nan 8.150 nan 0.000 0.528 1199 A N -0.435 122.439 122.820 0.090 0.000 2.359 1199 A HA 0.508 4.818 4.320 -0.017 0.000 0.240 1199 A C 1.543 179.291 177.584 0.272 0.000 1.306 1199 A CA 0.917 53.046 52.037 0.154 0.000 0.898 1199 A CB -1.087 18.006 19.000 0.155 0.000 0.956 1199 A HN 2.051 nan 8.150 nan 0.000 0.497 1200 G N -0.234 108.683 108.800 0.195 0.000 2.583 1200 G HA2 -0.099 3.851 3.960 -0.017 0.000 0.292 1200 G HA3 -0.099 3.851 3.960 -0.017 0.000 0.292 1200 G C 1.368 176.337 174.900 0.116 0.000 1.203 1200 G CA 0.739 45.946 45.100 0.178 0.000 0.987 1200 G HN 1.500 nan 8.290 nan 0.000 0.554 1201 A N -1.138 121.673 122.820 -0.015 0.000 2.125 1201 A HA 0.112 4.422 4.320 -0.017 0.000 0.219 1201 A C 1.783 179.161 177.584 -0.344 0.000 1.156 1201 A CA 1.923 53.762 52.037 -0.330 0.000 0.671 1201 A CB -0.426 18.143 19.000 -0.718 0.000 0.794 1201 A HN 0.702 nan 8.150 nan 0.000 0.459 1202 W N -1.593 119.711 121.300 0.006 0.000 3.330 1202 W HA 0.105 4.755 4.660 -0.017 0.000 0.348 1202 W C 1.226 177.789 176.519 0.074 0.000 1.205 1202 W CA -0.678 56.685 57.345 0.029 0.000 1.841 1202 W CB -0.529 28.929 29.460 -0.003 0.000 1.084 1202 W HN 0.326 nan 8.180 nan 0.000 0.665 1203 C N 0.256 119.711 119.300 0.257 0.000 2.425 1203 C HA -0.192 4.258 4.460 -0.017 0.000 0.277 1203 C C 2.141 177.359 174.990 0.380 0.000 1.280 1203 C CA 1.204 60.408 59.018 0.310 0.000 1.744 1203 C CB -0.925 27.044 27.740 0.383 0.000 1.989 1203 C HN 0.251 nan 8.230 nan 0.000 0.491 1204 D N 0.550 121.135 120.400 0.308 0.000 2.224 1204 D HA 0.004 4.634 4.640 -0.017 0.000 0.205 1204 D C 2.238 178.667 176.300 0.216 0.000 0.965 1204 D CA 1.262 55.441 54.000 0.298 0.000 0.852 1204 D CB -0.368 40.537 40.800 0.174 0.000 0.947 1204 D HN 0.476 nan 8.370 nan 0.000 0.494 1205 A N 0.937 123.876 122.820 0.198 0.000 1.933 1205 A HA -0.144 4.166 4.320 -0.017 0.000 0.218 1205 A C 2.086 179.769 177.584 0.165 0.000 1.175 1205 A CA 0.791 52.941 52.037 0.188 0.000 0.628 1205 A CB -0.418 18.741 19.000 0.264 0.000 0.814 1205 A HN 0.113 nan 8.150 nan 0.000 0.444 1206 I N 0.068 120.743 120.570 0.174 0.000 2.179 1206 I HA -0.230 3.930 4.170 -0.017 0.000 0.242 1206 I C 2.958 179.142 176.117 0.111 0.000 1.088 1206 I CA 1.386 62.759 61.300 0.122 0.000 1.357 1206 I CB -1.658 36.393 38.000 0.084 0.000 1.051 1206 I HN 0.362 nan 8.210 nan 0.000 0.409 1207 A N 0.965 123.859 122.820 0.123 0.000 1.940 1207 A HA -0.148 4.162 4.320 -0.017 0.000 0.219 1207 A C 2.504 180.069 177.584 -0.031 0.000 1.176 1207 A CA 1.988 53.994 52.037 -0.051 0.000 0.631 1207 A CB -1.356 17.697 19.000 0.089 0.000 0.814 1207 A HN 0.445 nan 8.150 nan 0.000 0.446 1208 G N -0.334 108.502 108.800 0.060 0.000 2.422 1208 G HA2 -0.131 3.819 3.960 -0.017 0.000 0.218 1208 G HA3 -0.131 3.819 3.960 -0.017 0.000 0.218 1208 G C 1.513 176.444 174.900 0.053 0.000 1.146 1208 G CA 0.957 46.091 45.100 0.057 0.000 0.769 1208 G HN 0.452 nan 8.290 nan 0.000 0.547 1209 L N 0.444 121.705 121.223 0.063 0.000 2.083 1209 L HA -0.018 4.312 4.340 -0.017 0.000 0.209 1209 L C 3.175 180.093 176.870 0.080 0.000 1.083 1209 L CA 1.030 55.913 54.840 0.072 0.000 0.752 1209 L CB -0.260 41.846 42.059 0.078 0.000 0.899 1209 L HN 0.316 nan 8.230 nan 0.000 0.433 1210 A N -0.612 122.234 122.820 0.043 0.000 2.178 1210 A HA 0.279 4.589 4.320 -0.017 0.000 0.211 1210 A C 1.695 179.326 177.584 0.079 0.000 1.157 1210 A CA 0.721 52.798 52.037 0.068 0.000 0.780 1210 A CB -0.276 18.613 19.000 -0.184 0.000 0.828 1210 A HN 0.504 nan 8.150 nan 0.000 0.476 1211 G N -1.215 107.595 108.800 0.017 0.000 2.160 1211 G HA2 -0.154 3.796 3.960 -0.017 0.000 0.244 1211 G HA3 -0.154 3.796 3.960 -0.017 0.000 0.244 1211 G C -0.016 174.866 174.900 -0.030 0.000 1.022 1211 G CA 0.211 45.326 45.100 0.024 0.000 0.741 1211 G HN 0.815 nan 8.290 nan 0.000 0.508 1212 V N 0.376 120.196 119.914 -0.156 0.000 2.483 1212 V HA 0.504 4.614 4.120 -0.017 0.000 0.295 1212 V C 1.122 177.182 176.094 -0.057 0.000 1.035 1212 V CA -0.995 61.168 62.300 -0.228 0.000 0.896 1212 V CB 1.728 33.073 31.823 -0.798 0.000 0.986 1212 V HN 0.494 nan 8.190 nan 0.000 0.447 1213 R N 6.085 126.605 120.500 0.033 0.000 2.484 1213 R HA 0.176 4.506 4.340 -0.017 0.000 0.293 1213 R C -2.169 174.239 176.300 0.180 0.000 1.023 1213 R CA -0.865 55.285 56.100 0.083 0.000 1.037 1213 R CB 0.625 30.964 30.300 0.065 0.000 0.951 1213 R HN 0.511 nan 8.270 nan 0.000 0.418 1214 P HA 0.024 nan 4.420 nan 0.000 0.276 1214 P C 0.191 177.469 177.300 -0.037 0.000 1.261 1214 P CA -0.178 63.036 63.100 0.191 0.000 0.800 1214 P CB 0.675 32.461 31.700 0.143 0.000 1.066 1215 L N -1.098 119.978 121.223 -0.245 0.000 2.509 1215 L HA 0.209 4.539 4.340 -0.017 0.000 0.222 1215 L C 1.435 178.197 176.870 -0.180 0.000 1.123 1215 L CA 0.839 55.462 54.840 -0.362 0.000 0.856 1215 L CB -0.790 40.887 42.059 -0.637 0.000 0.985 1215 L HN 0.747 nan 8.230 nan 0.000 0.456 1216 G N 1.326 110.070 108.800 -0.094 0.000 2.165 1216 G HA2 -0.258 3.693 3.960 -0.017 0.000 0.226 1216 G HA3 -0.258 3.693 3.960 -0.017 0.000 0.226 1216 G C -0.199 174.674 174.900 -0.045 0.000 1.035 1216 G CA -0.241 44.826 45.100 -0.055 0.000 0.744 1216 G HN 0.145 nan 8.290 nan 0.000 0.501 1217 L N 0.231 121.427 121.223 -0.045 0.000 2.453 1217 L HA 0.639 4.969 4.340 -0.017 0.000 0.272 1217 L C 0.351 177.218 176.870 -0.005 0.000 1.182 1217 L CA -0.031 54.794 54.840 -0.025 0.000 0.858 1217 L CB 1.280 43.326 42.059 -0.022 0.000 1.120 1217 L HN 0.343 nan 8.230 nan 0.000 0.474 1218 Q N 6.712 126.529 119.800 0.030 0.000 2.381 1218 Q HA 0.522 4.852 4.340 -0.017 0.000 0.263 1218 Q C -2.597 173.439 176.000 0.060 0.000 1.030 1218 Q CA -2.138 53.688 55.803 0.039 0.000 0.772 1218 Q CB 1.607 30.377 28.738 0.053 0.000 1.232 1218 Q HN 0.361 nan 8.270 nan 0.000 0.476 1219 P HA 0.171 nan 4.420 nan 0.000 0.271 1219 P C -1.266 176.061 177.300 0.045 0.000 1.216 1219 P CA -0.107 62.980 63.100 -0.023 0.000 0.776 1219 P CB 0.691 32.313 31.700 -0.129 0.000 0.881 1220 K N 2.067 122.519 120.400 0.087 0.000 2.471 1220 K HA 0.372 4.682 4.320 -0.017 0.000 0.252 1220 K C -0.355 176.293 176.600 0.080 0.000 0.938 1220 K CA -0.867 55.480 56.287 0.101 0.000 0.796 1220 K CB 2.621 35.217 32.500 0.160 0.000 1.161 1220 K HN 0.331 nan 8.250 nan 0.000 0.425 1221 R N 2.711 123.247 120.500 0.061 0.000 2.442 1221 R HA 0.165 4.495 4.340 -0.017 0.000 0.291 1221 R C -0.587 175.746 176.300 0.056 0.000 1.069 1221 R CA -0.003 56.129 56.100 0.053 0.000 1.022 1221 R CB 0.674 31.009 30.300 0.059 0.000 0.976 1221 R HN 0.569 nan 8.270 nan 0.000 0.443 1222 R N 2.456 122.989 120.500 0.054 0.000 2.532 1222 R HA 0.298 4.628 4.340 -0.017 0.000 0.297 1222 R C -1.296 174.996 176.300 -0.013 0.000 0.984 1222 R CA -0.460 55.663 56.100 0.038 0.000 0.884 1222 R CB 1.871 32.219 30.300 0.080 0.000 1.182 1222 R HN 0.644 nan 8.270 nan 0.000 0.442 1223 S N 1.453 117.113 115.700 -0.067 0.000 2.651 1223 S HA 0.897 5.357 4.470 -0.017 0.000 0.291 1223 S C -1.039 173.379 174.600 -0.303 0.000 1.141 1223 S CA -0.475 57.630 58.200 -0.158 0.000 1.027 1223 S CB 1.856 65.011 63.200 -0.076 0.000 1.043 1223 S HN 0.755 nan 8.310 nan 0.000 0.530 1224 A N 1.280 123.747 122.820 -0.589 0.000 2.609 1224 A HA 0.919 5.229 4.320 -0.017 0.000 0.291 1224 A C -1.624 175.488 177.584 -0.787 0.000 1.096 1224 A CA -0.855 50.704 52.037 -0.797 0.000 0.684 1224 A CB 1.031 19.444 19.000 -0.977 0.000 1.282 1224 A HN 0.934 nan 8.150 nan 0.000 0.412 1225 F N -0.885 118.741 119.950 -0.541 0.000 2.668 1225 F HA 0.821 5.339 4.527 -0.016 0.000 0.309 1225 F C -1.315 174.538 175.800 0.087 0.000 1.117 1225 F CA -1.222 56.654 58.000 -0.208 0.000 0.951 1225 F CB 1.173 40.130 39.000 -0.071 0.000 1.323 1225 F HN 0.364 nan 8.300 nan 0.000 0.451 1226 I N 3.234 124.071 120.570 0.445 0.000 2.404 1226 I HA 0.554 4.714 4.170 -0.017 0.000 0.293 1226 I C -0.859 175.554 176.117 0.492 0.000 0.992 1226 I CA -0.681 60.858 61.300 0.398 0.000 1.149 1226 I CB 1.548 39.821 38.000 0.455 0.000 1.315 1226 I HN 0.817 nan 8.210 nan 0.000 0.446 1227 F N 3.401 123.478 119.950 0.212 0.000 2.643 1227 F HA 0.894 5.411 4.527 -0.017 0.000 0.314 1227 F C -0.442 175.413 175.800 0.092 0.000 1.096 1227 F CA -1.222 56.876 58.000 0.163 0.000 0.953 1227 F CB 1.257 40.383 39.000 0.210 0.000 1.345 1227 F HN 0.425 nan 8.300 nan 0.000 0.468 1228 A N 2.619 125.535 122.820 0.160 0.000 2.363 1228 A HA 0.683 4.993 4.320 -0.017 0.000 0.270 1228 A C -2.517 175.086 177.584 0.031 0.000 1.121 1228 A CA -1.575 50.474 52.037 0.021 0.000 0.800 1228 A CB -0.449 18.588 19.000 0.061 0.000 1.052 1228 A HN 0.597 nan 8.150 nan 0.000 0.493 1229 P HA 0.342 nan 4.420 nan 0.000 0.274 1229 P C -2.682 174.638 177.300 0.033 0.000 1.237 1229 P CA -1.292 61.786 63.100 -0.036 0.000 0.793 1229 P CB -0.375 31.218 31.700 -0.179 0.000 0.977 1230 P HA 0.187 nan 4.420 nan 0.000 0.269 1230 P C -2.246 175.073 177.300 0.032 0.000 1.215 1230 P CA -0.986 62.153 63.100 0.065 0.000 0.780 1230 P CB -1.289 30.460 31.700 0.082 0.000 0.898 1231 P HA 0.018 nan 4.420 nan 0.000 0.265 1231 P C 1.003 178.316 177.300 0.021 0.000 1.187 1231 P CA 1.023 64.132 63.100 0.017 0.000 0.766 1231 P CB 0.110 31.821 31.700 0.018 0.000 0.820 1232 G N 2.067 110.876 108.800 0.014 0.000 2.225 1232 G HA2 -0.203 3.747 3.960 -0.017 0.000 0.254 1232 G HA3 -0.203 3.747 3.960 -0.017 0.000 0.254 1232 G C 0.075 174.995 174.900 0.032 0.000 0.988 1232 G CA -0.364 44.751 45.100 0.024 0.000 0.625 1232 G HN 0.504 nan 8.290 nan 0.000 0.527 1233 I N 2.065 122.647 120.570 0.020 0.000 2.301 1233 I HA 0.330 4.490 4.170 -0.017 0.000 0.292 1233 I C -0.437 175.629 176.117 -0.086 0.000 1.046 1233 I CA -1.049 60.264 61.300 0.021 0.000 1.282 1233 I CB 1.111 39.141 38.000 0.051 0.000 1.409 1233 I HN 0.060 nan 8.210 nan 0.000 0.484 1234 D N 6.675 127.033 120.400 -0.070 0.000 2.428 1234 D HA 0.168 4.798 4.640 -0.017 0.000 0.221 1234 D C 0.776 176.858 176.300 -0.363 0.000 1.123 1234 D CA -0.382 53.534 54.000 -0.140 0.000 0.869 1234 D CB 0.763 41.551 40.800 -0.021 0.000 1.032 1234 D HN 0.645 nan 8.370 nan 0.000 0.506 1235 C N 1.866 120.724 119.300 -0.735 0.000 2.780 1235 C HA 0.338 4.788 4.460 -0.017 0.000 0.287 1235 C C 1.969 176.423 174.990 -0.892 0.000 1.288 1235 C CA -0.564 57.512 59.018 -1.570 0.000 1.713 1235 C CB -1.786 24.715 27.740 -2.066 0.000 1.955 1235 C HN 0.646 nan 8.230 nan 0.000 0.613 1236 H N 1.347 120.159 119.070 -0.430 0.000 2.390 1236 H HA -0.109 4.437 4.556 -0.017 0.000 0.298 1236 H C 1.100 176.356 175.328 -0.121 0.000 1.106 1236 H CA 2.247 58.162 56.048 -0.222 0.000 1.297 1236 H CB 0.196 29.877 29.762 -0.136 0.000 1.375 1236 H HN 0.453 nan 8.280 nan 0.000 0.509 1237 D N -1.133 119.297 120.400 0.049 0.000 2.402 1237 D HA -0.017 4.613 4.640 -0.017 0.000 0.216 1237 D C -0.271 176.196 176.300 0.277 0.000 1.128 1237 D CA -0.131 53.957 54.000 0.147 0.000 0.833 1237 D CB -0.066 40.819 40.800 0.142 0.000 0.971 1237 D HN 0.237 nan 8.370 nan 0.000 0.503 1238 W N 2.920 124.262 121.300 0.070 0.000 2.148 1238 W HA 0.168 4.818 4.660 -0.017 0.000 0.347 1238 W C -1.664 174.902 176.519 0.078 0.000 1.288 1238 W CA -2.249 55.139 57.345 0.071 0.000 1.252 1238 W CB -0.721 28.772 29.460 0.055 0.000 1.156 1238 W HN -0.061 nan 8.180 nan 0.000 0.580 1239 P HA 0.038 nan 4.420 nan 0.000 0.275 1239 P C -0.358 177.023 177.300 0.135 0.000 1.266 1239 P CA -0.467 62.755 63.100 0.202 0.000 0.793 1239 P CB 0.533 32.359 31.700 0.210 0.000 1.074 1240 M N 1.438 121.039 119.600 0.002 0.000 2.303 1240 M HA 0.141 4.611 4.480 -0.017 0.000 0.350 1240 M C -0.927 175.335 176.300 -0.065 0.000 1.518 1240 M CA 0.095 55.312 55.300 -0.139 0.000 1.070 1240 M CB -1.012 31.255 32.600 -0.556 0.000 1.910 1240 M HN 0.178 nan 8.290 nan 0.000 0.458 1241 L N 7.682 128.909 121.223 0.008 0.000 2.287 1241 L HA 0.770 5.100 4.340 -0.017 0.000 0.287 1241 L C -1.524 175.326 176.870 -0.033 0.000 1.022 1241 L CA -0.321 54.536 54.840 0.027 0.000 0.814 1241 L CB 1.342 43.471 42.059 0.116 0.000 1.217 1241 L HN 0.604 nan 8.230 nan 0.000 0.420 1242 V N 3.462 123.321 119.914 -0.092 0.000 2.656 1242 V HA 0.615 4.726 4.120 -0.017 0.000 0.307 1242 V C 0.066 176.069 176.094 -0.151 0.000 1.051 1242 V CA -0.541 61.665 62.300 -0.156 0.000 0.893 1242 V CB 1.986 33.727 31.823 -0.138 0.000 0.999 1242 V HN 0.900 nan 8.190 nan 0.000 0.426 1243 S N 3.221 118.757 115.700 -0.274 0.000 2.603 1243 S HA 0.336 4.796 4.470 -0.017 0.000 0.268 1243 S C 0.864 175.493 174.600 0.049 0.000 1.317 1243 S CA -0.444 57.776 58.200 0.033 0.000 1.012 1243 S CB 1.140 64.400 63.200 0.100 0.000 0.926 1243 S HN 0.677 nan 8.310 nan 0.000 0.539 1244 L N 0.900 122.179 121.223 0.093 0.000 2.127 1244 L HA -0.061 4.270 4.340 -0.017 0.000 0.211 1244 L C 1.409 178.323 176.870 0.074 0.000 1.089 1244 L CA 2.056 56.934 54.840 0.063 0.000 0.757 1244 L CB -0.688 41.405 42.059 0.056 0.000 0.899 1244 L HN 0.938 nan 8.230 nan 0.000 0.434 1245 D N -1.740 118.717 120.400 0.095 0.000 2.427 1245 D HA -0.033 4.597 4.640 -0.017 0.000 0.224 1245 D C 0.565 176.916 176.300 0.086 0.000 1.157 1245 D CA -0.082 53.969 54.000 0.085 0.000 0.828 1245 D CB -0.475 40.377 40.800 0.087 0.000 0.974 1245 D HN 0.436 nan 8.370 nan 0.000 0.498 1246 E N 0.014 120.261 120.200 0.079 0.000 2.440 1246 E HA -0.280 4.060 4.350 -0.017 0.000 0.246 1246 E C 0.461 177.117 176.600 0.092 0.000 1.165 1246 E CA 0.652 57.105 56.400 0.087 0.000 0.726 1246 E CB -1.108 28.674 29.700 0.136 0.000 1.271 1246 E HN 0.477 nan 8.360 nan 0.000 0.397 1247 S N -0.685 115.073 115.700 0.096 0.000 2.461 1247 S HA 0.095 4.555 4.470 -0.017 0.000 0.228 1247 S C 0.463 175.199 174.600 0.227 0.000 1.005 1247 S CA 0.723 59.014 58.200 0.151 0.000 0.942 1247 S CB -0.227 63.091 63.200 0.197 0.000 0.776 1247 S HN 0.469 nan 8.310 nan 0.000 0.514 1248 F N -0.697 119.275 119.950 0.037 0.000 2.773 1248 F HA 0.737 5.255 4.527 -0.015 0.000 0.314 1248 F C -1.472 174.373 175.800 0.074 0.000 1.160 1248 F CA -1.938 56.043 58.000 -0.031 0.000 0.920 1248 F CB 0.574 39.538 39.000 -0.060 0.000 1.323 1248 F HN 0.078 nan 8.300 nan 0.000 0.457 1249 Y N 1.087 121.415 120.300 0.047 0.000 2.644 1249 Y HA 0.900 5.441 4.550 -0.015 0.000 0.338 1249 Y C -2.297 173.696 175.900 0.155 0.000 1.119 1249 Y CA -2.036 56.023 58.100 -0.069 0.000 1.060 1249 Y CB 1.691 40.073 38.460 -0.129 0.000 1.294 1249 Y HN 0.952 nan 8.280 nan 0.000 0.472 1250 L N 2.217 123.671 121.223 0.385 0.000 2.505 1250 L HA 0.675 5.005 4.340 -0.017 0.000 0.266 1250 L C -1.479 175.539 176.870 0.247 0.000 0.954 1250 L CA -0.600 54.437 54.840 0.328 0.000 0.852 1250 L CB 2.141 44.454 42.059 0.422 0.000 1.282 1250 L HN 0.905 nan 8.230 nan 0.000 0.403 1251 K N 5.222 125.731 120.400 0.182 0.000 2.523 1251 K HA 0.709 5.019 4.320 -0.017 0.000 0.257 1251 K C -2.872 173.767 176.600 0.066 0.000 0.932 1251 K CA -1.794 54.564 56.287 0.118 0.000 0.812 1251 K CB 2.621 35.147 32.500 0.042 0.000 1.326 1251 K HN 0.293 nan 8.250 nan 0.000 0.433 1252 P HA 0.084 nan 4.420 nan 0.000 0.268 1252 P C -1.389 175.887 177.300 -0.040 0.000 1.205 1252 P CA 0.049 63.106 63.100 -0.072 0.000 0.771 1252 P CB 0.503 32.144 31.700 -0.099 0.000 0.858 1253 D N 1.978 122.328 120.400 -0.083 0.000 2.386 1253 D HA 0.393 5.023 4.640 -0.017 0.000 0.247 1253 D C 0.716 176.986 176.300 -0.050 0.000 1.336 1253 D CA -0.027 53.956 54.000 -0.028 0.000 0.976 1253 D CB 1.043 41.851 40.800 0.014 0.000 1.257 1253 D HN 0.381 nan 8.370 nan 0.000 0.570 1254 A N 3.248 126.058 122.820 -0.015 0.000 5.101 1254 A HA -0.292 4.018 4.320 -0.017 0.000 0.360 1254 A C 1.627 179.159 177.584 -0.087 0.000 1.612 1254 A CA 2.192 54.249 52.037 0.034 0.000 0.689 1254 A CB -1.733 17.292 19.000 0.042 0.000 1.522 1254 A HN 0.847 nan 8.150 nan 0.000 0.416 1255 G N -2.506 106.210 108.800 -0.140 0.000 3.159 1255 G HA2 0.475 4.425 3.960 -0.017 0.000 0.232 1255 G HA3 0.475 4.425 3.960 -0.017 0.000 0.232 1255 G C 0.548 175.262 174.900 -0.311 0.000 1.116 1255 G CA 0.745 45.642 45.100 -0.338 0.000 0.767 1255 G HN 0.458 nan 8.290 nan 0.000 0.547 1256 M N -0.102 119.358 119.600 -0.232 0.000 2.823 1256 M HA 0.588 5.058 4.480 -0.017 0.000 0.282 1256 M C -0.798 175.303 176.300 -0.331 0.000 1.177 1256 M CA -0.717 54.440 55.300 -0.239 0.000 0.871 1256 M CB 1.031 33.569 32.600 -0.103 0.000 1.595 1256 M HN -0.224 nan 8.290 nan 0.000 0.524 1257 L N 1.015 121.945 121.223 -0.490 0.000 2.365 1257 L HA 0.575 4.905 4.340 -0.017 0.000 0.273 1257 L C -0.964 175.674 176.870 -0.387 0.000 1.000 1257 L CA -0.601 53.907 54.840 -0.553 0.000 0.819 1257 L CB 2.302 43.760 42.059 -1.003 0.000 1.284 1257 L HN 0.474 nan 8.230 nan 0.000 0.418 1258 L N 2.221 123.362 121.223 -0.138 0.000 2.282 1258 L HA 0.790 5.120 4.340 -0.017 0.000 0.288 1258 L C 0.049 176.857 176.870 -0.102 0.000 1.033 1258 L CA -0.027 54.778 54.840 -0.059 0.000 0.807 1258 L CB 1.189 43.289 42.059 0.068 0.000 1.209 1258 L HN 0.666 nan 8.230 nan 0.000 0.423 1259 G N 2.040 110.556 108.800 -0.472 0.000 2.498 1259 G HA2 0.631 4.582 3.960 -0.017 0.000 0.312 1259 G HA3 0.631 4.582 3.960 -0.017 0.000 0.312 1259 G C -1.671 172.571 174.900 -1.097 0.000 1.230 1259 G CA -0.457 44.238 45.100 -0.675 0.000 0.968 1259 G HN 0.573 nan 8.290 nan 0.000 0.481 1260 S N -0.005 115.264 115.700 -0.718 0.000 2.535 1260 S HA 0.634 5.095 4.470 -0.017 0.000 0.272 1260 S C -2.440 171.978 174.600 -0.303 0.000 1.149 1260 S CA -0.969 56.855 58.200 -0.625 0.000 0.888 1260 S CB 2.554 65.094 63.200 -1.100 0.000 1.110 1260 S HN 0.322 nan 8.310 nan 0.000 0.463 1261 P HA 0.217 nan 4.420 nan 0.000 0.245 1261 P C 0.505 177.786 177.300 -0.033 0.000 1.212 1261 P CA 0.946 64.046 63.100 -0.000 0.000 0.774 1261 P CB -0.238 31.479 31.700 0.028 0.000 0.999 1262 A N 0.267 123.001 122.820 -0.144 0.000 2.791 1262 A HA -0.207 4.103 4.320 -0.017 0.000 0.292 1262 A C 0.558 178.176 177.584 0.056 0.000 1.487 1262 A CA 0.586 52.623 52.037 -0.001 0.000 0.760 1262 A CB -2.878 16.183 19.000 0.102 0.000 1.031 1262 A HN 0.589 nan 8.150 nan 0.000 0.503 1263 N N -0.417 118.299 118.700 0.027 0.000 2.379 1263 N HA 0.663 5.393 4.740 -0.017 0.000 0.260 1263 N C 0.052 175.592 175.510 0.051 0.000 1.254 1263 N CA -0.156 52.914 53.050 0.033 0.000 0.958 1263 N CB 1.328 39.825 38.487 0.016 0.000 1.208 1263 N HN 1.379 nan 8.380 nan 0.000 0.532 1264 A N -0.007 122.833 122.820 0.035 0.000 3.455 1264 A HA 0.178 4.488 4.320 -0.017 0.000 0.225 1264 A C -1.149 176.445 177.584 0.017 0.000 1.052 1264 A CA -0.749 51.308 52.037 0.034 0.000 1.005 1264 A CB -0.284 18.711 19.000 -0.009 0.000 1.318 1264 A HN 0.591 nan 8.150 nan 0.000 0.639 1265 D N 3.364 123.781 120.400 0.028 0.000 2.317 1265 D HA 0.280 4.910 4.640 -0.017 0.000 0.252 1265 D C -2.467 173.851 176.300 0.030 0.000 1.174 1265 D CA -0.674 53.339 54.000 0.022 0.000 0.866 1265 D CB 1.572 42.386 40.800 0.025 0.000 1.127 1265 D HN 0.259 nan 8.370 nan 0.000 0.467 1266 P HA 0.026 nan 4.420 nan 0.000 0.271 1266 P C -0.303 177.013 177.300 0.027 0.000 1.220 1266 P CA -0.216 62.897 63.100 0.021 0.000 0.768 1266 P CB 1.077 32.781 31.700 0.006 0.000 0.848 1267 V N 0.005 119.940 119.914 0.036 0.000 3.206 1267 V HA 0.525 4.635 4.120 -0.017 0.000 0.305 1267 V C -0.302 175.812 176.094 0.033 0.000 1.257 1267 V CA -1.139 61.191 62.300 0.051 0.000 1.057 1267 V CB 2.114 34.021 31.823 0.140 0.000 1.075 1267 V HN 0.271 nan 8.190 nan 0.000 0.443 1268 E N 1.231 121.449 120.200 0.030 0.000 2.392 1268 E HA 0.503 4.843 4.350 -0.017 0.000 0.259 1268 E C 0.402 177.020 176.600 0.030 0.000 1.108 1268 E CA 0.227 56.628 56.400 0.002 0.000 0.916 1268 E CB 1.524 31.214 29.700 -0.016 0.000 0.989 1268 E HN 1.179 nan 8.360 nan 0.000 0.432 1269 A N 3.721 126.423 122.820 -0.198 0.000 2.522 1269 A HA 0.178 4.488 4.320 -0.017 0.000 0.256 1269 A C 0.153 177.665 177.584 -0.119 0.000 1.086 1269 A CA 0.294 51.979 52.037 -0.587 0.000 0.763 1269 A CB -0.295 17.892 19.000 -1.354 0.000 1.024 1269 A HN 0.753 nan 8.150 nan 0.000 0.502 1270 H N 0.399 119.395 119.070 -0.123 0.000 2.887 1270 H HA 0.318 4.865 4.556 -0.016 0.000 0.290 1270 H C -1.689 173.884 175.328 0.408 0.000 1.429 1270 H CA -0.929 55.291 56.048 0.286 0.000 1.137 1270 H CB 0.525 30.390 29.762 0.172 0.000 1.824 1270 H HN 0.426 nan 8.280 nan 0.000 0.520 1271 D N 1.642 122.280 120.400 0.396 0.000 2.416 1271 D HA 0.191 4.821 4.640 -0.017 0.000 0.240 1271 D C -0.379 175.946 176.300 0.042 0.000 1.250 1271 D CA -0.012 54.201 54.000 0.354 0.000 0.967 1271 D CB -0.183 40.906 40.800 0.482 0.000 1.059 1271 D HN 0.410 nan 8.370 nan 0.000 0.512 1272 V N 4.001 123.778 119.914 -0.228 0.000 2.583 1272 V HA 0.199 4.309 4.120 -0.017 0.000 0.287 1272 V C -0.095 176.009 176.094 0.018 0.000 1.051 1272 V CA -0.131 61.984 62.300 -0.309 0.000 1.010 1272 V CB 1.217 32.821 31.823 -0.366 0.000 0.988 1272 V HN 0.477 nan 8.190 nan 0.000 0.478 1273 Q N 7.253 127.121 119.800 0.113 0.000 2.257 1273 Q HA 0.505 4.835 4.340 -0.017 0.000 0.262 1273 Q C -2.479 173.585 176.000 0.108 0.000 0.997 1273 Q CA -1.960 53.920 55.803 0.127 0.000 0.873 1273 Q CB 1.794 30.618 28.738 0.143 0.000 1.312 1273 Q HN 0.586 nan 8.270 nan 0.000 0.450 1274 P HA 0.019 nan 4.420 nan 0.000 0.271 1274 P C -0.771 176.558 177.300 0.048 0.000 1.218 1274 P CA 0.016 63.151 63.100 0.058 0.000 0.780 1274 P CB 0.833 32.563 31.700 0.050 0.000 0.901 1275 E N 1.809 122.025 120.200 0.027 0.000 2.216 1275 E HA 0.070 4.410 4.350 -0.017 0.000 0.279 1275 E C 0.949 177.541 176.600 -0.013 0.000 0.997 1275 E CA -0.586 55.823 56.400 0.015 0.000 0.817 1275 E CB 1.537 31.245 29.700 0.014 0.000 1.096 1275 E HN 0.365 nan 8.360 nan 0.000 0.393 1276 Q N 2.306 122.094 119.800 -0.020 0.000 2.112 1276 Q HA -0.189 4.141 4.340 -0.017 0.000 0.206 1276 Q C 1.688 177.648 176.000 -0.066 0.000 0.987 1276 Q CA 1.471 57.245 55.803 -0.048 0.000 0.858 1276 Q CB -0.280 28.432 28.738 -0.043 0.000 0.905 1276 Q HN 0.545 nan 8.270 nan 0.000 0.420 1277 L N 0.471 121.663 121.223 -0.053 0.000 2.131 1277 L HA -0.149 4.181 4.340 -0.017 0.000 0.210 1277 L C 1.257 178.089 176.870 -0.063 0.000 1.092 1277 L CA 2.082 56.884 54.840 -0.064 0.000 0.759 1277 L CB -0.756 41.272 42.059 -0.052 0.000 0.903 1277 L HN 0.185 nan 8.230 nan 0.000 0.435 1278 D N -0.162 120.212 120.400 -0.043 0.000 2.084 1278 D HA -0.190 4.440 4.640 -0.017 0.000 0.194 1278 D C 2.288 178.563 176.300 -0.041 0.000 0.990 1278 D CA 1.608 55.590 54.000 -0.030 0.000 0.826 1278 D CB -0.167 40.624 40.800 -0.014 0.000 0.971 1278 D HN 0.280 nan 8.370 nan 0.000 0.453 1279 I N 1.221 121.740 120.570 -0.085 0.000 2.179 1279 I HA -0.166 3.994 4.170 -0.017 0.000 0.242 1279 I C 2.480 178.422 176.117 -0.292 0.000 1.088 1279 I CA 0.758 61.931 61.300 -0.210 0.000 1.357 1279 I CB -1.436 36.408 38.000 -0.259 0.000 1.051 1279 I HN -0.103 nan 8.210 nan 0.000 0.409 1280 A N 0.404 123.103 122.820 -0.203 0.000 1.933 1280 A HA -0.184 4.126 4.320 -0.017 0.000 0.218 1280 A C 2.444 179.955 177.584 -0.121 0.000 1.175 1280 A CA 2.324 54.253 52.037 -0.180 0.000 0.628 1280 A CB -1.041 17.877 19.000 -0.136 0.000 0.814 1280 A HN 0.421 nan 8.150 nan 0.000 0.444 1281 T N -0.306 114.193 114.554 -0.091 0.000 2.708 1281 T HA -0.036 4.304 4.350 -0.017 0.000 0.266 1281 T C 2.008 176.715 174.700 0.013 0.000 1.037 1281 T CA 1.501 63.574 62.100 -0.045 0.000 1.146 1281 T CB -0.678 68.162 68.868 -0.046 0.000 0.865 1281 T HN 0.581 nan 8.240 nan 0.000 0.435 1282 G N 1.146 109.964 108.800 0.030 0.000 2.440 1282 G HA2 -0.200 3.751 3.960 -0.017 0.000 0.218 1282 G HA3 -0.200 3.751 3.960 -0.017 0.000 0.218 1282 G C 1.587 176.522 174.900 0.058 0.000 1.154 1282 G CA 0.743 45.922 45.100 0.131 0.000 0.767 1282 G HN 0.405 nan 8.290 nan 0.000 0.552 1283 M N -0.971 118.563 119.600 -0.110 0.000 2.132 1283 M HA 0.006 4.476 4.480 -0.017 0.000 0.263 1283 M C 2.379 178.577 176.300 -0.170 0.000 1.065 1283 M CA 1.286 56.449 55.300 -0.228 0.000 1.122 1283 M CB -0.403 31.948 32.600 -0.414 0.000 1.365 1283 M HN 0.350 nan 8.290 nan 0.000 0.411 1284 Y N 1.332 121.498 120.300 -0.223 0.000 2.165 1284 Y HA -0.227 4.313 4.550 -0.017 0.000 0.286 1284 Y C 1.916 177.670 175.900 -0.244 0.000 1.155 1284 Y CA 1.687 59.667 58.100 -0.199 0.000 1.164 1284 Y CB -0.180 38.188 38.460 -0.154 0.000 0.978 1284 Y HN 0.076 nan 8.280 nan 0.000 0.513 1285 L N -0.443 120.697 121.223 -0.139 0.000 2.093 1285 L HA -0.196 4.134 4.340 -0.017 0.000 0.208 1285 L C 2.356 178.764 176.870 -0.770 0.000 1.085 1285 L CA 1.225 55.827 54.840 -0.396 0.000 0.755 1285 L CB -0.455 41.432 42.059 -0.288 0.000 0.904 1285 L HN 0.290 nan 8.230 nan 0.000 0.435 1286 I N -0.347 119.796 120.570 -0.711 0.000 2.315 1286 I HA -0.254 3.906 4.170 -0.017 0.000 0.248 1286 I C 2.325 178.201 176.117 -0.401 0.000 1.117 1286 I CA 1.269 62.182 61.300 -0.646 0.000 1.404 1286 I CB -0.246 37.567 38.000 -0.310 0.000 1.071 1286 I HN 0.267 nan 8.210 nan 0.000 0.419 1287 E N 0.304 120.290 120.200 -0.356 0.000 2.268 1287 E HA -0.248 4.092 4.350 -0.017 0.000 0.195 1287 E C 1.943 178.349 176.600 -0.322 0.000 0.995 1287 E CA 0.834 57.062 56.400 -0.288 0.000 0.836 1287 E CB 0.003 29.538 29.700 -0.275 0.000 0.763 1287 E HN 0.516 nan 8.360 nan 0.000 0.491 1288 E N 0.346 120.283 120.200 -0.439 0.000 2.170 1288 E HA -0.031 4.309 4.350 -0.017 0.000 0.191 1288 E C 1.793 178.232 176.600 -0.267 0.000 0.981 1288 E CA 0.634 56.805 56.400 -0.381 0.000 0.830 1288 E CB 0.122 29.523 29.700 -0.497 0.000 0.775 1288 E HN 0.159 nan 8.360 nan 0.000 0.470 1289 A N 0.560 123.177 122.820 -0.338 0.000 2.132 1289 A HA 0.073 4.383 4.320 -0.017 0.000 0.213 1289 A C 1.184 178.732 177.584 -0.061 0.000 1.154 1289 A CA 1.000 52.887 52.037 -0.250 0.000 0.753 1289 A CB -0.024 18.640 19.000 -0.560 0.000 0.826 1289 A HN 0.383 nan 8.150 nan 0.000 0.469 1290 T N -5.206 109.290 114.554 -0.097 0.000 2.838 1290 T HA 0.399 4.739 4.350 -0.017 0.000 0.292 1290 T C 0.657 175.339 174.700 -0.031 0.000 1.113 1290 T CA 0.378 62.465 62.100 -0.022 0.000 1.008 1290 T CB 1.062 69.942 68.868 0.020 0.000 1.259 1290 T HN 0.273 nan 8.240 nan 0.000 0.520 1291 T N -0.493 114.066 114.554 0.007 0.000 3.148 1291 T HA 0.269 4.609 4.350 -0.017 0.000 0.253 1291 T C 0.853 175.573 174.700 0.033 0.000 1.134 1291 T CA -0.210 61.897 62.100 0.011 0.000 1.051 1291 T CB -0.760 68.125 68.868 0.028 0.000 0.959 1291 T HN 0.518 nan 8.240 nan 0.000 0.525 1292 L N 3.103 124.364 121.223 0.064 0.000 2.456 1292 L HA 0.323 4.653 4.340 -0.017 0.000 0.272 1292 L C 0.722 177.606 176.870 0.023 0.000 1.189 1292 L CA -0.275 54.627 54.840 0.104 0.000 0.846 1292 L CB 0.300 42.481 42.059 0.204 0.000 1.111 1292 L HN 0.313 nan 8.230 nan 0.000 0.475 1293 T N 0.538 115.112 114.554 0.034 0.000 2.856 1293 T HA 0.706 5.046 4.350 -0.017 0.000 0.283 1293 T C -0.420 174.265 174.700 -0.025 0.000 1.008 1293 T CA -0.684 61.400 62.100 -0.025 0.000 0.997 1293 T CB 1.685 70.542 68.868 -0.018 0.000 0.992 1293 T HN 0.315 nan 8.240 nan 0.000 0.454 1294 I N 3.119 123.617 120.570 -0.121 0.000 2.382 1294 I HA 0.412 4.572 4.170 -0.017 0.000 0.286 1294 I C 1.158 177.208 176.117 -0.112 0.000 1.002 1294 I CA -1.083 60.107 61.300 -0.184 0.000 1.135 1294 I CB 1.857 39.556 38.000 -0.502 0.000 1.288 1294 I HN 0.535 nan 8.210 nan 0.000 0.448 1295 R N 4.755 125.240 120.500 -0.025 0.000 2.057 1295 R HA 0.196 4.526 4.340 -0.017 0.000 0.224 1295 R C 0.175 176.448 176.300 -0.045 0.000 1.136 1295 R CA 1.039 57.124 56.100 -0.025 0.000 0.968 1295 R CB 0.136 30.442 30.300 0.009 0.000 0.863 1295 R HN 0.744 nan 8.270 nan 0.000 0.433 1296 R N -0.298 120.190 120.500 -0.020 0.000 2.725 1296 R HA 0.379 4.709 4.340 -0.017 0.000 0.254 1296 R C -2.967 173.347 176.300 0.023 0.000 1.076 1296 R CA -1.392 54.688 56.100 -0.034 0.000 0.940 1296 R CB 0.905 31.192 30.300 -0.023 0.000 1.260 1296 R HN -0.155 nan 8.270 nan 0.000 0.466 1297 P HA 0.197 nan 4.420 nan 0.000 0.277 1297 P C -0.367 176.979 177.300 0.075 0.000 1.240 1297 P CA -0.404 62.767 63.100 0.119 0.000 0.798 1297 P CB 1.081 32.837 31.700 0.093 0.000 0.979 1298 E N 0.014 120.270 120.200 0.093 0.000 2.250 1298 E HA -0.001 4.339 4.350 -0.017 0.000 0.192 1298 E C 0.087 176.453 176.600 -0.389 0.000 0.986 1298 E CA 1.070 57.391 56.400 -0.132 0.000 0.849 1298 E CB 0.183 29.818 29.700 -0.109 0.000 0.797 1298 E HN 0.546 nan 8.360 nan 0.000 0.482 1299 H N -0.800 118.416 119.070 0.243 0.000 2.974 1299 H HA 0.292 4.838 4.556 -0.016 0.000 0.366 1299 H C -0.331 175.218 175.328 0.369 0.000 1.155 1299 H CA -0.376 55.857 56.048 0.309 0.000 1.186 1299 H CB 1.914 31.913 29.762 0.394 0.000 1.799 1299 H HN -0.051 nan 8.280 nan 0.000 0.541 1300 T N -0.606 114.228 114.554 0.467 0.000 2.903 1300 T HA 0.650 4.990 4.350 -0.017 0.000 0.299 1300 T C -0.998 173.984 174.700 0.469 0.000 1.093 1300 T CA -0.899 61.397 62.100 0.328 0.000 1.002 1300 T CB 2.182 71.146 68.868 0.159 0.000 1.127 1300 T HN 0.765 nan 8.240 nan 0.000 0.488 1301 W N 0.291 121.670 121.300 0.131 0.000 2.937 1301 W HA 0.839 5.489 4.660 -0.018 0.000 0.360 1301 W C -1.999 174.561 176.519 0.068 0.000 1.215 1301 W CA -1.113 56.278 57.345 0.077 0.000 1.183 1301 W CB 0.676 30.162 29.460 0.044 0.000 1.458 1301 W HN 0.965 nan 8.180 nan 0.000 0.574 1302 A N 0.885 123.852 122.820 0.246 0.000 2.539 1302 A HA 0.973 5.283 4.320 -0.017 0.000 0.296 1302 A C -0.647 177.071 177.584 0.223 0.000 1.073 1302 A CA -0.308 51.802 52.037 0.122 0.000 0.700 1302 A CB 1.388 20.425 19.000 0.062 0.000 1.296 1302 A HN 1.838 nan 8.150 nan 0.000 0.405 1303 G N -0.517 108.385 108.800 0.170 0.000 2.766 1303 G HA2 0.607 4.557 3.960 -0.017 0.000 0.288 1303 G HA3 0.607 4.557 3.960 -0.017 0.000 0.288 1303 G C -1.457 173.483 174.900 0.066 0.000 1.408 1303 G CA -0.746 44.435 45.100 0.135 0.000 0.852 1303 G HN 0.716 nan 8.290 nan 0.000 0.487 1304 L N 0.497 121.739 121.223 0.031 0.000 2.282 1304 L HA 0.560 4.891 4.340 -0.017 0.000 0.288 1304 L C 0.100 176.953 176.870 -0.029 0.000 1.033 1304 L CA -0.666 54.163 54.840 -0.019 0.000 0.807 1304 L CB 1.728 43.721 42.059 -0.111 0.000 1.209 1304 L HN 0.323 nan 8.230 nan 0.000 0.423 1305 R N 2.047 122.538 120.500 -0.016 0.000 2.310 1305 R HA 0.462 4.792 4.340 -0.017 0.000 0.324 1305 R C -0.892 175.290 176.300 -0.196 0.000 0.955 1305 R CA -0.335 55.688 56.100 -0.127 0.000 0.830 1305 R CB 1.805 32.116 30.300 0.018 0.000 1.154 1305 R HN 0.510 nan 8.270 nan 0.000 0.458 1306 S N 3.407 118.861 115.700 -0.411 0.000 2.449 1306 S HA 0.569 5.029 4.470 -0.017 0.000 0.310 1306 S C -0.955 173.389 174.600 -0.425 0.000 1.096 1306 S CA -0.552 57.494 58.200 -0.256 0.000 1.095 1306 S CB 0.677 63.778 63.200 -0.166 0.000 1.007 1306 S HN 0.310 nan 8.310 nan 0.000 0.474 1307 F N 1.286 121.209 119.950 -0.045 0.000 2.577 1307 F HA 0.621 5.137 4.527 -0.018 0.000 0.318 1307 F C 0.366 176.137 175.800 -0.049 0.000 1.065 1307 F CA -1.078 56.902 58.000 -0.033 0.000 0.929 1307 F CB 1.387 40.372 39.000 -0.024 0.000 1.237 1307 F HN 0.396 nan 8.300 nan 0.000 0.468 1308 V N -0.030 119.963 119.914 0.131 0.000 3.302 1308 V HA 0.749 4.859 4.120 -0.017 0.000 0.316 1308 V C 0.870 176.996 176.094 0.054 0.000 1.111 1308 V CA -0.246 62.075 62.300 0.035 0.000 1.029 1308 V CB 0.834 32.624 31.823 -0.056 0.000 1.170 1308 V HN 0.949 nan 8.190 nan 0.000 0.452 1309 A N 0.971 123.791 122.820 0.000 0.000 1.940 1309 A HA -0.172 4.138 4.320 -0.017 0.000 0.219 1309 A C 1.571 179.151 177.584 -0.007 0.000 1.176 1309 A CA 2.137 54.168 52.037 -0.010 0.000 0.631 1309 A CB -0.995 17.988 19.000 -0.028 0.000 0.814 1309 A HN 1.152 nan 8.150 nan 0.000 0.446 1310 D N -2.723 117.674 120.400 -0.004 0.000 2.339 1310 D HA 0.295 4.925 4.640 -0.017 0.000 0.217 1310 D C 1.168 177.478 176.300 0.018 0.000 1.050 1310 D CA 0.893 54.889 54.000 -0.008 0.000 0.856 1310 D CB -0.540 40.246 40.800 -0.024 0.000 0.922 1310 D HN 0.797 nan 8.370 nan 0.000 0.518 1311 G N -0.028 108.821 108.800 0.082 0.000 2.184 1311 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.264 1311 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.264 1311 G C -0.282 174.712 174.900 0.156 0.000 0.975 1311 G CA 0.316 45.529 45.100 0.189 0.000 0.642 1311 G HN 0.438 nan 8.290 nan 0.000 0.536 1312 D N -0.117 120.315 120.400 0.054 0.000 2.277 1312 D HA 0.620 5.250 4.640 -0.017 0.000 0.250 1312 D C 0.906 177.204 176.300 -0.004 0.000 1.032 1312 D CA -0.556 53.441 54.000 -0.005 0.000 0.947 1312 D CB 1.242 42.017 40.800 -0.042 0.000 1.159 1312 D HN 0.098 nan 8.370 nan 0.000 0.460 1313 L N 0.299 121.506 121.223 -0.026 0.000 2.472 1313 L HA 0.261 4.591 4.340 -0.017 0.000 0.260 1313 L C 0.019 176.855 176.870 -0.056 0.000 1.209 1313 L CA -0.192 54.630 54.840 -0.030 0.000 0.817 1313 L CB 0.596 42.642 42.059 -0.022 0.000 1.106 1313 L HN 0.072 nan 8.230 nan 0.000 0.479 1314 V N 0.915 120.792 119.914 -0.061 0.000 2.483 1314 V HA 0.796 4.906 4.120 -0.017 0.000 0.297 1314 V C -0.412 175.644 176.094 -0.063 0.000 1.027 1314 V CA -0.596 61.647 62.300 -0.094 0.000 0.855 1314 V CB 1.425 33.151 31.823 -0.162 0.000 0.995 1314 V HN 0.794 nan 8.190 nan 0.000 0.424 1315 A N 3.666 126.432 122.820 -0.090 0.000 2.499 1315 A HA 0.961 5.271 4.320 -0.017 0.000 0.280 1315 A C -0.095 177.310 177.584 -0.297 0.000 1.135 1315 A CA 0.139 52.126 52.037 -0.084 0.000 0.744 1315 A CB 1.309 20.358 19.000 0.082 0.000 1.213 1315 A HN 1.507 nan 8.150 nan 0.000 0.434 1316 G N 0.526 108.743 108.800 -0.971 0.000 2.377 1316 G HA2 0.460 4.410 3.960 -0.017 0.000 0.297 1316 G HA3 0.460 4.410 3.960 -0.017 0.000 0.297 1316 G C -1.533 172.729 174.900 -1.064 0.000 1.547 1316 G CA -0.715 43.841 45.100 -0.908 0.000 0.833 1316 G HN 0.442 nan 8.290 nan 0.000 0.583 1317 Y N 0.907 120.991 120.300 -0.360 0.000 2.497 1317 Y HA 0.421 4.961 4.550 -0.017 0.000 0.334 1317 Y C 1.359 177.351 175.900 0.152 0.000 1.199 1317 Y CA 1.055 59.167 58.100 0.022 0.000 1.425 1317 Y CB 1.010 39.615 38.460 0.241 0.000 1.291 1317 Y HN 0.782 nan 8.280 nan 0.000 0.562 1318 A N 2.903 126.010 122.820 0.479 0.000 2.511 1318 A HA 0.505 4.815 4.320 -0.017 0.000 0.242 1318 A C 0.208 177.983 177.584 0.318 0.000 1.069 1318 A CA -0.195 52.130 52.037 0.480 0.000 0.763 1318 A CB -0.392 18.887 19.000 0.464 0.000 1.001 1318 A HN 0.891 nan 8.150 nan 0.000 0.498 1319 A N 2.496 125.454 122.820 0.229 0.000 2.477 1319 A HA 0.441 4.751 4.320 -0.017 0.000 0.246 1319 A C 0.786 178.456 177.584 0.143 0.000 1.078 1319 A CA 0.283 52.415 52.037 0.158 0.000 0.770 1319 A CB -0.717 18.346 19.000 0.105 0.000 1.011 1319 A HN 1.381 nan 8.150 nan 0.000 0.494 1320 N N -0.948 117.823 118.700 0.118 0.000 2.741 1320 N HA -0.164 4.566 4.740 -0.017 0.000 0.250 1320 N C -0.186 175.396 175.510 0.121 0.000 1.115 1320 N CA 0.698 53.806 53.050 0.097 0.000 0.724 1320 N CB -1.218 37.312 38.487 0.072 0.000 1.090 1320 N HN 1.297 nan 8.380 nan 0.000 0.558 1321 A N 0.603 123.530 122.820 0.179 0.000 3.007 1321 A HA 0.334 4.644 4.320 -0.017 0.000 0.314 1321 A C -0.157 177.648 177.584 0.367 0.000 1.153 1321 A CA -0.477 51.711 52.037 0.250 0.000 0.780 1321 A CB 0.638 19.760 19.000 0.204 0.000 1.258 1321 A HN 0.321 nan 8.150 nan 0.000 0.460 1322 E N 1.045 121.400 120.200 0.258 0.000 2.652 1322 E HA 0.265 4.605 4.350 -0.017 0.000 0.255 1322 E C 1.415 178.287 176.600 0.452 0.000 0.952 1322 E CA 1.616 58.148 56.400 0.219 0.000 0.947 1322 E CB 0.191 29.937 29.700 0.077 0.000 0.912 1322 E HN 1.674 nan 8.360 nan 0.000 0.489 1323 G N 3.936 112.978 108.800 0.404 0.000 2.179 1323 G HA2 -0.326 3.624 3.960 -0.017 0.000 0.260 1323 G HA3 -0.326 3.624 3.960 -0.017 0.000 0.260 1323 G C -0.077 175.284 174.900 0.768 0.000 0.977 1323 G CA 0.180 45.662 45.100 0.636 0.000 0.641 1323 G HN 0.548 nan 8.290 nan 0.000 0.533 1324 F N 1.004 121.256 119.950 0.503 0.000 2.371 1324 F HA 0.694 5.211 4.527 -0.017 0.000 0.363 1324 F C -0.197 175.640 175.800 0.062 0.000 1.122 1324 F CA -1.446 56.562 58.000 0.013 0.000 1.129 1324 F CB 0.431 39.306 39.000 -0.208 0.000 1.173 1324 F HN 0.037 nan 8.300 nan 0.000 0.489 1325 F N 6.575 126.242 119.950 -0.471 0.000 2.449 1325 F HA 0.425 4.941 4.527 -0.018 0.000 0.342 1325 F C -1.317 174.207 175.800 -0.460 0.000 1.127 1325 F CA -0.951 56.788 58.000 -0.435 0.000 0.975 1325 F CB 0.713 39.346 39.000 -0.611 0.000 1.146 1325 F HN 0.387 nan 8.300 nan 0.000 0.444 1326 W N 6.033 127.022 121.300 -0.518 0.000 2.316 1326 W HA 0.547 5.197 4.660 -0.017 0.000 0.311 1326 W C -0.911 175.478 176.519 -0.216 0.000 1.217 1326 W CA -0.685 56.492 57.345 -0.281 0.000 1.199 1326 W CB 1.314 30.651 29.460 -0.205 0.000 1.202 1326 W HN 0.174 nan 8.180 nan 0.000 0.528 1327 V N 4.149 124.167 119.914 0.174 0.000 2.320 1327 V HA 0.725 4.835 4.120 -0.017 0.000 0.268 1327 V C 0.050 176.213 176.094 0.115 0.000 1.021 1327 V CA -0.728 61.654 62.300 0.137 0.000 0.813 1327 V CB -0.187 31.706 31.823 0.117 0.000 1.054 1327 V HN 0.649 nan 8.190 nan 0.000 0.444 1328 A N 2.606 125.484 122.820 0.096 0.000 2.564 1328 A HA 0.954 5.264 4.320 -0.017 0.000 0.288 1328 A C 0.560 178.140 177.584 -0.006 0.000 1.164 1328 A CA -0.198 51.887 52.037 0.081 0.000 0.712 1328 A CB 1.548 20.645 19.000 0.161 0.000 1.303 1328 A HN 2.044 nan 8.150 nan 0.000 0.418 1329 A N -0.531 122.263 122.820 -0.043 0.000 2.930 1329 A HA -0.172 4.138 4.320 -0.017 0.000 0.273 1329 A C 0.755 178.264 177.584 -0.125 0.000 1.435 1329 A CA 1.623 53.600 52.037 -0.100 0.000 0.780 1329 A CB -2.414 16.541 19.000 -0.075 0.000 1.034 1329 A HN 0.992 nan 8.150 nan 0.000 0.562 1330 Q N -0.613 119.111 119.800 -0.127 0.000 2.364 1330 Q HA 0.327 4.657 4.340 -0.017 0.000 0.207 1330 Q C 2.005 177.854 176.000 -0.251 0.000 0.970 1330 Q CA 2.244 57.988 55.803 -0.098 0.000 0.888 1330 Q CB -0.275 28.424 28.738 -0.064 0.000 0.951 1330 Q HN 2.182 nan 8.270 nan 0.000 0.469 1331 G N -0.262 108.161 108.800 -0.630 0.000 2.596 1331 G HA2 -0.330 3.620 3.960 -0.017 0.000 0.295 1331 G HA3 -0.330 3.620 3.960 -0.017 0.000 0.295 1331 G C 0.625 174.941 174.900 -0.972 0.000 1.240 1331 G CA -0.109 44.136 45.100 -1.425 0.000 0.985 1331 G HN 0.565 nan 8.290 nan 0.000 0.555 1332 G N -1.255 106.792 108.800 -1.256 0.000 3.383 1332 G HA2 0.464 4.414 3.960 -0.017 0.000 0.251 1332 G HA3 0.464 4.414 3.960 -0.017 0.000 0.251 1332 G C 0.420 174.936 174.900 -0.641 0.000 1.203 1332 G CA 1.129 45.758 45.100 -0.785 0.000 0.852 1332 G HN 0.711 nan 8.290 nan 0.000 0.531 1333 Y N -1.899 118.397 120.300 -0.007 0.000 2.728 1333 Y HA 0.278 4.821 4.550 -0.013 0.000 0.256 1333 Y C 2.107 178.025 175.900 0.029 0.000 1.112 1333 Y CA -0.844 57.271 58.100 0.025 0.000 1.240 1333 Y CB 0.080 38.514 38.460 -0.045 0.000 1.337 1333 Y HN 0.051 nan 8.280 nan 0.000 0.559 1334 G N 0.959 109.809 108.800 0.083 0.000 2.443 1334 G HA2 -0.121 3.829 3.960 -0.017 0.000 0.219 1334 G HA3 -0.121 3.829 3.960 -0.017 0.000 0.219 1334 G C 1.391 176.372 174.900 0.135 0.000 1.131 1334 G CA 1.019 46.171 45.100 0.086 0.000 0.775 1334 G HN 0.178 nan 8.290 nan 0.000 0.547 1335 I N 1.505 122.157 120.570 0.137 0.000 2.277 1335 I HA -0.116 4.044 4.170 -0.017 0.000 0.243 1335 I C 2.926 179.203 176.117 0.268 0.000 1.094 1335 I CA 1.249 62.644 61.300 0.158 0.000 1.393 1335 I CB -1.451 36.597 38.000 0.079 0.000 1.078 1335 I HN 0.465 nan 8.210 nan 0.000 0.417 1336 Q N 1.282 121.246 119.800 0.273 0.000 2.364 1336 Q HA -0.117 4.213 4.340 -0.017 0.000 0.207 1336 Q C 1.412 177.711 176.000 0.498 0.000 0.970 1336 Q CA 1.789 57.852 55.803 0.433 0.000 0.888 1336 Q CB -0.595 28.279 28.738 0.226 0.000 0.951 1336 Q HN 0.578 nan 8.270 nan 0.000 0.469 1337 T N -2.461 112.283 114.554 0.317 0.000 3.069 1337 T HA 0.142 4.482 4.350 -0.017 0.000 0.252 1337 T C 1.751 176.550 174.700 0.165 0.000 1.053 1337 T CA 0.199 62.410 62.100 0.183 0.000 0.964 1337 T CB 0.386 69.307 68.868 0.088 0.000 1.005 1337 T HN 0.367 nan 8.240 nan 0.000 0.532 1338 S N 1.917 117.812 115.700 0.324 0.000 2.383 1338 S HA 0.094 4.554 4.470 -0.017 0.000 0.227 1338 S C 2.386 177.062 174.600 0.126 0.000 1.026 1338 S CA 0.599 58.941 58.200 0.237 0.000 0.981 1338 S CB -0.794 62.641 63.200 0.391 0.000 0.818 1338 S HN 0.641 nan 8.310 nan 0.000 0.472 1339 A N 2.140 125.030 122.820 0.117 0.000 1.898 1339 A HA 0.337 4.647 4.320 -0.017 0.000 0.216 1339 A C 2.535 179.819 177.584 -0.501 0.000 1.181 1339 A CA 1.695 53.616 52.037 -0.193 0.000 0.620 1339 A CB -1.438 17.316 19.000 -0.409 0.000 0.819 1339 A HN 0.844 nan 8.150 nan 0.000 0.442 1340 A N -1.143 121.475 122.820 -0.337 0.000 1.897 1340 A HA -0.035 4.275 4.320 -0.017 0.000 0.215 1340 A C 2.185 179.567 177.584 -0.338 0.000 1.181 1340 A CA 1.744 53.576 52.037 -0.341 0.000 0.620 1340 A CB -0.436 18.430 19.000 -0.224 0.000 0.821 1340 A HN 0.410 nan 8.150 nan 0.000 0.443 1341 M N -0.450 119.016 119.600 -0.223 0.000 2.132 1341 M HA -0.092 4.378 4.480 -0.017 0.000 0.263 1341 M C 2.296 178.456 176.300 -0.233 0.000 1.065 1341 M CA 1.514 56.713 55.300 -0.169 0.000 1.122 1341 M CB -1.624 30.932 32.600 -0.073 0.000 1.365 1341 M HN 0.490 nan 8.290 nan 0.000 0.411 1342 G N -0.497 108.127 108.800 -0.294 0.000 2.402 1342 G HA2 -0.227 3.723 3.960 -0.017 0.000 0.216 1342 G HA3 -0.227 3.723 3.960 -0.017 0.000 0.216 1342 G C 1.504 176.104 174.900 -0.500 0.000 1.162 1342 G CA 0.860 45.819 45.100 -0.236 0.000 0.777 1342 G HN 0.538 nan 8.290 nan 0.000 0.539 1343 E N 0.313 119.788 120.200 -1.208 0.000 2.072 1343 E HA -0.018 4.322 4.350 -0.017 0.000 0.191 1343 E C 2.803 179.039 176.600 -0.608 0.000 0.985 1343 E CA 0.916 56.526 56.400 -1.317 0.000 0.801 1343 E CB -0.195 28.619 29.700 -1.477 0.000 0.750 1343 E HN 0.332 nan 8.360 nan 0.000 0.452 1344 A N 0.827 123.377 122.820 -0.450 0.000 1.902 1344 A HA -0.204 4.106 4.320 -0.017 0.000 0.217 1344 A C 2.341 179.802 177.584 -0.205 0.000 1.181 1344 A CA 2.129 54.001 52.037 -0.276 0.000 0.623 1344 A CB -0.792 18.086 19.000 -0.202 0.000 0.818 1344 A HN 0.448 nan 8.150 nan 0.000 0.443 1345 S N 0.320 115.906 115.700 -0.191 0.000 2.368 1345 S HA 0.016 4.476 4.470 -0.017 0.000 0.224 1345 S C 2.142 176.487 174.600 -0.427 0.000 1.029 1345 S CA 1.372 59.473 58.200 -0.165 0.000 0.988 1345 S CB -0.805 62.366 63.200 -0.049 0.000 0.838 1345 S HN 0.917 nan 8.310 nan 0.000 0.462 1346 A N 2.316 124.926 122.820 -0.350 0.000 1.902 1346 A HA 0.252 4.562 4.320 -0.017 0.000 0.217 1346 A C 2.554 179.926 177.584 -0.355 0.000 1.181 1346 A CA 1.891 53.709 52.037 -0.364 0.000 0.623 1346 A CB -1.523 17.382 19.000 -0.158 0.000 0.818 1346 A HN 0.875 nan 8.150 nan 0.000 0.443 1347 A N -0.239 122.412 122.820 -0.281 0.000 1.877 1347 A HA -0.055 4.255 4.320 -0.017 0.000 0.216 1347 A C 2.176 179.640 177.584 -0.200 0.000 1.186 1347 A CA 1.553 53.457 52.037 -0.223 0.000 0.620 1347 A CB -0.619 18.271 19.000 -0.183 0.000 0.822 1347 A HN 0.474 nan 8.150 nan 0.000 0.443 1348 L N -0.768 120.342 121.223 -0.188 0.000 2.093 1348 L HA -0.129 4.201 4.340 -0.017 0.000 0.208 1348 L C 2.440 179.182 176.870 -0.213 0.000 1.085 1348 L CA 0.966 55.763 54.840 -0.071 0.000 0.755 1348 L CB -0.487 41.649 42.059 0.128 0.000 0.904 1348 L HN 0.356 nan 8.230 nan 0.000 0.435 1349 I N -0.230 119.948 120.570 -0.653 0.000 2.264 1349 I HA -0.287 3.873 4.170 -0.017 0.000 0.248 1349 I C 2.227 178.091 176.117 -0.422 0.000 1.111 1349 I CA 1.386 62.240 61.300 -0.742 0.000 1.382 1349 I CB -0.188 37.246 38.000 -0.943 0.000 1.060 1349 I HN 0.179 nan 8.210 nan 0.000 0.418 1350 R N -0.242 120.048 120.500 -0.351 0.000 2.319 1350 R HA 0.031 4.361 4.340 -0.017 0.000 0.204 1350 R C -0.075 176.164 176.300 -0.100 0.000 0.954 1350 R CA 0.113 56.094 56.100 -0.197 0.000 1.066 1350 R CB -0.180 30.009 30.300 -0.184 0.000 0.991 1350 R HN 0.380 nan 8.270 nan 0.000 0.486 1351 H N -0.648 118.477 119.070 0.091 0.000 2.862 1351 H HA -0.148 4.398 4.556 -0.017 0.000 0.290 1351 H C -0.467 174.883 175.328 0.036 0.000 1.211 1351 H CA 0.635 56.738 56.048 0.093 0.000 1.140 1351 H CB -1.359 28.451 29.762 0.080 0.000 1.341 1351 H HN 0.281 nan 8.280 nan 0.000 0.392 1352 Q N 0.643 120.473 119.800 0.050 0.000 2.215 1352 Q HA 0.416 4.746 4.340 -0.017 0.000 0.256 1352 Q C -1.860 174.142 176.000 0.002 0.000 0.972 1352 Q CA -1.839 53.971 55.803 0.011 0.000 0.889 1352 Q CB 1.178 29.884 28.738 -0.054 0.000 1.281 1352 Q HN 0.143 nan 8.270 nan 0.000 0.456 1353 P HA 0.093 nan 4.420 nan 0.000 0.269 1353 P C -0.162 177.107 177.300 -0.051 0.000 1.215 1353 P CA -0.153 62.938 63.100 -0.014 0.000 0.780 1353 P CB 0.576 32.270 31.700 -0.011 0.000 0.898 1354 L N 3.159 124.344 121.223 -0.064 0.000 2.490 1354 L HA 0.115 4.445 4.340 -0.017 0.000 0.274 1354 L C -1.790 174.999 176.870 -0.135 0.000 1.201 1354 L CA -1.613 53.157 54.840 -0.116 0.000 0.869 1354 L CB -0.554 41.434 42.059 -0.118 0.000 1.123 1354 L HN 0.234 nan 8.230 nan 0.000 0.484 1355 P HA -0.063 nan 4.420 nan 0.000 0.266 1355 P C 0.214 177.383 177.300 -0.218 0.000 1.193 1355 P CA 0.122 63.101 63.100 -0.201 0.000 0.770 1355 P CB 0.729 32.231 31.700 -0.331 0.000 0.836 1356 A N 3.781 126.550 122.820 -0.085 0.000 1.903 1356 A HA -0.271 4.039 4.320 -0.017 0.000 0.219 1356 A C 1.970 179.534 177.584 -0.034 0.000 1.191 1356 A CA 2.077 54.092 52.037 -0.036 0.000 0.638 1356 A CB -1.765 17.251 19.000 0.027 0.000 0.823 1356 A HN 0.810 nan 8.150 nan 0.000 0.451 1357 H N -0.684 118.397 119.070 0.018 0.000 2.421 1357 H HA -0.003 4.541 4.556 -0.019 0.000 0.298 1357 H C 1.866 177.261 175.328 0.112 0.000 1.087 1357 H CA 1.401 57.484 56.048 0.058 0.000 1.330 1357 H CB -0.687 29.115 29.762 0.066 0.000 1.388 1357 H HN 0.473 nan 8.280 nan 0.000 0.526 1358 L N 0.577 121.590 121.223 -0.350 0.000 2.044 1358 L HA -0.057 4.274 4.340 -0.017 0.000 0.205 1358 L C 3.103 179.942 176.870 -0.051 0.000 1.075 1358 L CA 0.937 55.669 54.840 -0.181 0.000 0.747 1358 L CB -0.375 41.480 42.059 -0.340 0.000 0.903 1358 L HN 0.144 nan 8.230 nan 0.000 0.435 1359 R N 0.428 120.877 120.500 -0.085 0.000 2.105 1359 R HA -0.185 4.145 4.340 -0.017 0.000 0.239 1359 R C 2.066 178.349 176.300 -0.028 0.000 1.135 1359 R CA 1.434 57.504 56.100 -0.049 0.000 0.967 1359 R CB -0.332 29.936 30.300 -0.053 0.000 0.861 1359 R HN 0.472 nan 8.270 nan 0.000 0.442 1360 E N -0.460 119.722 120.200 -0.030 0.000 2.265 1360 E HA -0.164 4.176 4.350 -0.017 0.000 0.196 1360 E C 0.988 177.485 176.600 -0.172 0.000 0.996 1360 E CA 0.896 57.242 56.400 -0.089 0.000 0.832 1360 E CB -0.022 29.622 29.700 -0.093 0.000 0.756 1360 E HN 0.523 nan 8.360 nan 0.000 0.491 1361 H N -0.995 118.061 119.070 -0.023 0.000 2.536 1361 H HA 0.162 4.715 4.556 -0.006 0.000 0.276 1361 H C 0.763 176.071 175.328 -0.034 0.000 1.019 1361 H CA 0.424 56.459 56.048 -0.022 0.000 1.159 1361 H CB 0.676 30.426 29.762 -0.020 0.000 1.373 1361 H HN 0.244 nan 8.280 nan 0.000 0.584 1362 G N 0.701 109.521 108.800 0.032 0.000 2.171 1362 G HA2 -0.247 3.703 3.960 -0.017 0.000 0.238 1362 G HA3 -0.247 3.703 3.960 -0.017 0.000 0.238 1362 G C -0.268 174.630 174.900 -0.002 0.000 1.039 1362 G CA -0.117 44.986 45.100 0.005 0.000 0.759 1362 G HN 0.263 nan 8.290 nan 0.000 0.501 1363 L N 0.472 121.691 121.223 -0.007 0.000 2.331 1363 L HA 0.804 5.134 4.340 -0.017 0.000 0.275 1363 L C -0.005 176.843 176.870 -0.037 0.000 1.022 1363 L CA -0.801 54.021 54.840 -0.030 0.000 0.812 1363 L CB 1.756 43.786 42.059 -0.048 0.000 1.257 1363 L HN 0.449 nan 8.230 nan 0.000 0.435 1364 D N -1.128 119.250 120.400 -0.037 0.000 2.622 1364 D HA 0.088 4.718 4.640 -0.017 0.000 0.255 1364 D C 0.205 176.490 176.300 -0.024 0.000 1.246 1364 D CA -0.757 53.225 54.000 -0.030 0.000 0.795 1364 D CB 0.996 41.783 40.800 -0.021 0.000 1.369 1364 D HN 0.494 nan 8.370 nan 0.000 0.425 1365 E N 0.059 120.253 120.200 -0.011 0.000 2.085 1365 E HA -0.243 4.097 4.350 -0.017 0.000 0.194 1365 E C 1.814 178.414 176.600 0.001 0.000 0.994 1365 E CA 1.558 57.962 56.400 0.006 0.000 0.801 1365 E CB -0.197 29.521 29.700 0.031 0.000 0.743 1365 E HN 0.533 nan 8.360 nan 0.000 0.453 1366 A N 0.993 123.812 122.820 -0.002 0.000 1.969 1366 A HA -0.177 4.133 4.320 -0.017 0.000 0.218 1366 A C 2.141 179.712 177.584 -0.021 0.000 1.169 1366 A CA 1.737 53.770 52.037 -0.006 0.000 0.635 1366 A CB -0.596 18.402 19.000 -0.004 0.000 0.810 1366 A HN 0.452 nan 8.150 nan 0.000 0.445 1367 M N -1.585 117.999 119.600 -0.027 0.000 2.557 1367 M HA 0.217 4.687 4.480 -0.017 0.000 0.259 1367 M C 1.292 177.564 176.300 -0.046 0.000 1.086 1367 M CA 1.458 56.735 55.300 -0.037 0.000 1.096 1367 M CB -0.397 32.179 32.600 -0.039 0.000 1.424 1367 M HN 0.155 nan 8.290 nan 0.000 0.488 1368 L N -0.529 120.668 121.223 -0.044 0.000 2.416 1368 L HA 0.228 4.558 4.340 -0.017 0.000 0.216 1368 L C 1.337 178.165 176.870 -0.070 0.000 1.098 1368 L CA -0.315 54.493 54.840 -0.054 0.000 0.840 1368 L CB -0.066 41.969 42.059 -0.041 0.000 0.981 1368 L HN 0.357 nan 8.230 nan 0.000 0.462 1369 S N 0.728 116.393 115.700 -0.058 0.000 2.564 1369 S HA 0.123 4.583 4.470 -0.017 0.000 0.278 1369 S C -1.282 173.260 174.600 -0.097 0.000 1.333 1369 S CA -1.243 56.918 58.200 -0.066 0.000 1.048 1369 S CB 0.798 63.985 63.200 -0.021 0.000 0.900 1369 S HN -0.011 nan 8.310 nan 0.000 0.505 1370 P HA -0.042 nan 4.420 nan 0.000 0.226 1370 P C 0.940 178.168 177.300 -0.120 0.000 1.153 1370 P CA 0.711 63.692 63.100 -0.199 0.000 0.777 1370 P CB 0.071 31.581 31.700 -0.317 0.000 0.794 1371 R N 0.699 121.167 120.500 -0.054 0.000 2.159 1371 R HA -0.112 4.218 4.340 -0.017 0.000 0.237 1371 R C 2.614 178.892 176.300 -0.037 0.000 1.131 1371 R CA 1.321 57.405 56.100 -0.025 0.000 0.982 1371 R CB -0.546 29.757 30.300 0.005 0.000 0.868 1371 R HN 0.324 nan 8.270 nan 0.000 0.453 1372 R N 0.813 121.283 120.500 -0.048 0.000 2.237 1372 R HA -0.081 4.249 4.340 -0.017 0.000 0.219 1372 R C 1.539 177.806 176.300 -0.054 0.000 1.080 1372 R CA 1.130 57.203 56.100 -0.046 0.000 0.995 1372 R CB -0.432 29.839 30.300 -0.048 0.000 0.875 1372 R HN 0.227 nan 8.270 nan 0.000 0.462 1373 L N 0.934 122.112 121.223 -0.075 0.000 2.552 1373 L HA 0.104 4.434 4.340 -0.017 0.000 0.227 1373 L C 0.217 177.052 176.870 -0.059 0.000 1.146 1373 L CA 0.123 54.917 54.840 -0.077 0.000 0.858 1373 L CB 0.084 42.073 42.059 -0.117 0.000 0.969 1373 L HN 0.087 nan 8.230 nan 0.000 0.451 1374 S N -0.779 114.893 115.700 -0.046 0.000 2.536 1374 S HA 0.692 5.152 4.470 -0.017 0.000 0.298 1374 S C -2.161 172.426 174.600 -0.021 0.000 1.083 1374 S CA -0.821 57.361 58.200 -0.031 0.000 0.995 1374 S CB 2.165 65.351 63.200 -0.024 0.000 1.058 1374 S HN 0.011 nan 8.310 nan 0.000 0.488 1375 P HA 0.000 nan 4.420 nan 0.000 0.216 1375 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 1375 P CB 0.000 31.692 31.700 -0.013 0.000 0.726