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 3ic9_1_D DATA FIRST_RESID 2 DATA SEQUENCE KVINVDVAII GTGTAGXGAY RAAKKHTDKV VLIEGGAYGT TCARVGCXPS DATA SEQUENCE KLLIAAADAS YHASQTDLFG IQVDRISVNG KAVXKRIQTE RDRFVGFVVE DATA SEQUENCE SVESFDEQDK IRGFAKFLDE HTLQVDDHSQ VIAKRIVIAT GSRPNYPEFL DATA SEQUENCE AAAGSRLLTN DNLFELNDLP KSVAVFGPGV IGLELGQALS RLGVIVKVFG DATA SEQUENCE RSGSVANLQD EEXKRYAEKT FNEEFYFDAK ARVISTIEKE DAVEVIYFDK DATA SEQUENCE SGQKTTESFQ YVLAATGRKA NVDKLGLENT SIELDKKNSP LFDELTLQTS DATA SEQUENCE VDHIFVAGDA NNTLTLLHEA ADDGKVAGTN AGAYPVIAQG QRRAPLSVVF DATA SEQUENCE TEPQVASVGL SLRQIEDLYA DQDAANYVVG QVSFEGQGRS RVXGKNKGLL DATA SEQUENCE NVYADRTSGE FLGAEXFGPA AEHIGHLLAW ARQQQXTVQA XLTXPFYHPV DATA SEQUENCE IEEGLRTALR DAQQKLAIEK HDXNEFIXTH 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.623 176.600 0.038 0.000 0.988 2 K CA 0.000 56.313 56.287 0.043 0.000 0.838 2 K CB 0.000 32.529 32.500 0.048 0.000 1.064 3 V N 4.355 124.286 119.914 0.028 0.000 2.540 3 V HA 0.674 4.794 4.120 -0.000 0.000 0.302 3 V C -0.334 175.772 176.094 0.020 0.000 1.035 3 V CA -0.702 61.611 62.300 0.021 0.000 0.873 3 V CB 1.418 33.250 31.823 0.016 0.000 0.992 3 V HN 0.773 nan 8.190 nan 0.000 0.428 4 I N 1.065 121.647 120.570 0.019 0.000 2.647 4 I HA 0.614 4.784 4.170 -0.000 0.000 0.295 4 I C -0.951 175.174 176.117 0.015 0.000 1.078 4 I CA -0.702 60.609 61.300 0.018 0.000 1.048 4 I CB 2.361 40.375 38.000 0.023 0.000 1.239 4 I HN 0.471 nan 8.210 nan 0.000 0.421 5 N N 4.285 122.993 118.700 0.013 0.000 2.438 5 N HA 0.629 5.369 4.740 -0.000 0.000 0.282 5 N C -0.490 175.029 175.510 0.015 0.000 1.037 5 N CA -0.198 52.858 53.050 0.010 0.000 0.942 5 N CB 2.954 41.443 38.487 0.003 0.000 1.136 5 N HN 0.655 nan 8.380 nan 0.000 0.481 6 V N -0.894 119.031 119.914 0.018 0.000 3.130 6 V HA 0.431 4.551 4.120 -0.000 0.000 0.310 6 V C 0.277 176.385 176.094 0.025 0.000 1.158 6 V CA -0.770 61.544 62.300 0.023 0.000 1.029 6 V CB 2.190 34.031 31.823 0.030 0.000 1.057 6 V HN 0.360 nan 8.190 nan 0.000 0.436 7 D N 0.717 121.133 120.400 0.027 0.000 2.162 7 D HA 0.121 4.761 4.640 -0.000 0.000 0.203 7 D C 0.470 176.795 176.300 0.042 0.000 0.967 7 D CA 1.559 55.578 54.000 0.033 0.000 0.840 7 D CB 0.430 41.252 40.800 0.035 0.000 0.972 7 D HN 0.445 nan 8.370 nan 0.000 0.482 8 V N 0.456 120.393 119.914 0.039 0.000 2.569 8 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 8 V C -0.576 175.547 176.094 0.048 0.000 1.044 8 V CA -1.124 61.203 62.300 0.044 0.000 0.874 8 V CB 1.817 33.653 31.823 0.020 0.000 1.002 8 V HN 0.072 nan 8.190 nan 0.000 0.424 9 A N 5.877 128.727 122.820 0.049 0.000 2.330 9 A HA 0.944 5.264 4.320 -0.000 0.000 0.327 9 A C -0.818 176.788 177.584 0.036 0.000 1.155 9 A CA -0.512 51.543 52.037 0.030 0.000 0.803 9 A CB 0.852 19.848 19.000 -0.007 0.000 1.208 9 A HN 0.791 nan 8.150 nan 0.000 0.477 10 I N 3.036 123.628 120.570 0.037 0.000 2.382 10 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 10 I C -0.730 175.402 176.117 0.024 0.000 1.002 10 I CA -0.178 61.149 61.300 0.045 0.000 1.135 10 I CB 1.645 39.688 38.000 0.071 0.000 1.288 10 I HN 0.505 nan 8.210 nan 0.000 0.448 11 I N 6.318 126.900 120.570 0.020 0.000 2.291 11 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 11 I C 0.612 176.748 176.117 0.031 0.000 1.064 11 I CA -0.064 61.241 61.300 0.007 0.000 1.269 11 I CB 0.634 38.632 38.000 -0.003 0.000 1.418 11 I HN 0.834 nan 8.210 nan 0.000 0.485 12 G N 3.274 112.086 108.800 0.020 0.000 3.367 12 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 12 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 12 G C -0.255 174.677 174.900 0.052 0.000 1.146 12 G CA -1.007 44.109 45.100 0.027 0.000 0.913 12 G HN 0.484 nan 8.290 nan 0.000 0.554 13 T N 2.611 117.205 114.554 0.066 0.000 3.273 13 T HA 0.583 4.933 4.350 -0.000 0.000 0.242 13 T C 1.326 176.112 174.700 0.144 0.000 1.228 13 T CA 0.580 62.765 62.100 0.143 0.000 1.173 13 T CB 0.582 69.625 68.868 0.292 0.000 1.134 13 T HN 1.162 nan 8.240 nan 0.000 0.635 14 G N 0.793 109.654 108.800 0.101 0.000 2.695 14 G HA2 0.304 4.264 3.960 -0.000 0.000 0.213 14 G HA3 0.304 4.264 3.960 -0.000 0.000 0.213 14 G C 1.092 176.051 174.900 0.098 0.000 1.406 14 G CA -0.309 44.847 45.100 0.092 0.000 1.049 14 G HN 0.258 nan 8.290 nan 0.000 0.573 15 T N 0.903 115.505 114.554 0.080 0.000 2.701 15 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 15 T C 2.774 177.520 174.700 0.077 0.000 1.040 15 T CA 1.883 64.031 62.100 0.080 0.000 1.147 15 T CB -0.535 68.372 68.868 0.065 0.000 0.865 15 T HN 0.538 nan 8.240 nan 0.000 0.426 16 A N 1.546 124.402 122.820 0.059 0.000 1.902 16 A HA 0.252 4.572 4.320 -0.000 0.000 0.217 16 A C 1.715 179.337 177.584 0.063 0.000 1.181 16 A CA 1.376 53.443 52.037 0.049 0.000 0.623 16 A CB -1.367 17.651 19.000 0.030 0.000 0.818 16 A HN 0.526 nan 8.150 nan 0.000 0.443 20 A N 0.160 123.017 122.820 0.060 0.000 1.933 20 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 20 A C 2.035 179.633 177.584 0.023 0.000 1.175 20 A CA 2.139 54.188 52.037 0.020 0.000 0.628 20 A CB -0.656 18.350 19.000 0.009 0.000 0.814 20 A HN 0.815 nan 8.150 nan 0.000 0.444 21 Y N 0.340 120.599 120.300 -0.068 0.000 2.163 21 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 21 Y C 2.472 178.279 175.900 -0.156 0.000 1.136 21 Y CA 2.031 60.047 58.100 -0.140 0.000 1.147 21 Y CB -0.319 38.001 38.460 -0.234 0.000 0.987 21 Y HN 0.241 nan 8.280 nan 0.000 0.509 22 R N -0.004 120.423 120.500 -0.122 0.000 2.091 22 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 22 R C 2.518 178.722 176.300 -0.160 0.000 1.136 22 R CA 1.378 57.375 56.100 -0.171 0.000 0.959 22 R CB -0.623 29.683 30.300 0.011 0.000 0.856 22 R HN 0.474 nan 8.270 nan 0.000 0.437 23 A N 0.739 123.512 122.820 -0.079 0.000 1.930 23 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 23 A C 2.289 179.881 177.584 0.013 0.000 1.175 23 A CA 1.492 53.516 52.037 -0.022 0.000 0.627 23 A CB -0.530 18.473 19.000 0.003 0.000 0.815 23 A HN 0.398 nan 8.150 nan 0.000 0.443 24 A N -0.569 122.209 122.820 -0.070 0.000 1.930 24 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 24 A C 2.000 179.528 177.584 -0.094 0.000 1.175 24 A CA 1.506 53.516 52.037 -0.045 0.000 0.627 24 A CB -0.290 18.651 19.000 -0.099 0.000 0.815 24 A HN 0.274 nan 8.150 nan 0.000 0.443 25 K N 0.290 120.518 120.400 -0.288 0.000 2.362 25 K HA -0.039 4.281 4.320 -0.000 0.000 0.200 25 K C 1.505 177.976 176.600 -0.215 0.000 1.046 25 K CA 0.856 56.949 56.287 -0.324 0.000 0.952 25 K CB -0.146 32.024 32.500 -0.551 0.000 0.753 25 K HN 0.527 nan 8.250 nan 0.000 0.466 26 K N -0.556 119.717 120.400 -0.213 0.000 2.288 26 K HA -0.091 4.229 4.320 -0.000 0.000 0.201 26 K C 1.315 177.657 176.600 -0.431 0.000 1.048 26 K CA 1.011 57.105 56.287 -0.322 0.000 0.956 26 K CB 0.027 32.278 32.500 -0.415 0.000 0.746 26 K HN 0.309 nan 8.250 nan 0.000 0.461 27 H N -1.723 117.297 119.070 -0.083 0.000 2.681 27 H HA 0.102 4.658 4.556 -0.000 0.000 0.268 27 H C 0.194 175.495 175.328 -0.046 0.000 0.967 27 H CA 0.456 56.472 56.048 -0.053 0.000 1.233 27 H CB 1.181 30.919 29.762 -0.041 0.000 1.445 27 H HN -0.079 nan 8.280 nan 0.000 0.494 28 T N -1.103 113.471 114.554 0.033 0.000 2.932 28 T HA 0.120 4.470 4.350 -0.000 0.000 0.318 28 T C -0.358 174.317 174.700 -0.041 0.000 1.265 28 T CA -0.711 61.391 62.100 0.004 0.000 1.036 28 T CB 1.427 70.311 68.868 0.026 0.000 1.209 28 T HN -0.064 nan 8.240 nan 0.000 0.484 29 D N 1.964 122.345 120.400 -0.031 0.000 2.183 29 D HA 0.083 4.723 4.640 -0.000 0.000 0.203 29 D C 0.465 176.752 176.300 -0.021 0.000 0.969 29 D CA 1.079 55.057 54.000 -0.036 0.000 0.842 29 D CB 0.210 40.999 40.800 -0.018 0.000 0.957 29 D HN 0.438 nan 8.370 nan 0.000 0.484 30 K N 0.796 121.193 120.400 -0.005 0.000 2.150 30 K HA 0.303 4.623 4.320 -0.000 0.000 0.261 30 K C -0.909 175.703 176.600 0.019 0.000 1.127 30 K CA -0.209 56.085 56.287 0.012 0.000 0.989 30 K CB 1.139 33.648 32.500 0.015 0.000 1.475 30 K HN -0.156 nan 8.250 nan 0.000 0.391 31 V N 2.786 122.721 119.914 0.035 0.000 2.733 31 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 31 V C -1.094 175.087 176.094 0.144 0.000 1.084 31 V CA -0.771 61.570 62.300 0.069 0.000 0.905 31 V CB 1.954 33.787 31.823 0.017 0.000 1.010 31 V HN 0.277 nan 8.190 nan 0.000 0.424 32 V N 4.719 124.698 119.914 0.107 0.000 2.628 32 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 32 V C -0.421 175.707 176.094 0.058 0.000 1.045 32 V CA -0.887 61.459 62.300 0.078 0.000 0.905 32 V CB 1.636 33.485 31.823 0.043 0.000 0.997 32 V HN 0.823 nan 8.190 nan 0.000 0.436 33 L N 4.650 125.866 121.223 -0.011 0.000 2.282 33 L HA 0.581 4.921 4.340 -0.000 0.000 0.288 33 L C -0.450 176.430 176.870 0.017 0.000 1.033 33 L CA -0.255 54.574 54.840 -0.017 0.000 0.807 33 L CB 1.421 43.414 42.059 -0.111 0.000 1.209 33 L HN 0.573 nan 8.230 nan 0.000 0.423 34 I N 3.190 123.766 120.570 0.012 0.000 2.377 34 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 34 I C -0.345 175.742 176.117 -0.049 0.000 0.987 34 I CA -0.430 60.862 61.300 -0.014 0.000 1.185 34 I CB 1.796 39.775 38.000 -0.036 0.000 1.341 34 I HN 0.490 nan 8.210 nan 0.000 0.455 35 E N 3.680 123.809 120.200 -0.118 0.000 2.260 35 E HA 0.470 4.820 4.350 -0.000 0.000 0.266 35 E C 0.153 176.462 176.600 -0.485 0.000 0.887 35 E CA -0.435 55.796 56.400 -0.282 0.000 0.777 35 E CB 1.828 31.290 29.700 -0.397 0.000 1.205 35 E HN 0.617 nan 8.360 nan 0.000 0.414 36 G N 2.412 110.763 108.800 -0.749 0.000 2.719 36 G HA2 0.281 4.241 3.960 -0.000 0.000 0.211 36 G HA3 0.281 4.241 3.960 -0.000 0.000 0.211 36 G C 0.621 174.886 174.900 -1.057 0.000 1.140 36 G CA 0.377 44.575 45.100 -1.502 0.000 0.790 36 G HN 0.560 nan 8.290 nan 0.000 0.529 37 G N -0.141 108.332 108.800 -0.544 0.000 2.890 37 G HA2 0.568 4.528 3.960 -0.000 0.000 0.189 37 G HA3 0.568 4.528 3.960 -0.000 0.000 0.189 37 G C -0.194 174.534 174.900 -0.286 0.000 1.342 37 G CA 0.047 45.022 45.100 -0.209 0.000 1.026 37 G HN 0.482 nan 8.290 nan 0.000 0.579 38 A N -1.223 121.501 122.820 -0.161 0.000 2.388 38 A HA 0.583 4.903 4.320 -0.000 0.000 0.257 38 A C -0.607 176.875 177.584 -0.171 0.000 1.095 38 A CA -0.382 51.564 52.037 -0.151 0.000 0.791 38 A CB -0.166 18.813 19.000 -0.035 0.000 1.029 38 A HN 0.478 nan 8.150 nan 0.000 0.489 39 Y N 0.391 120.674 120.300 -0.028 0.000 2.426 39 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 39 Y C 1.659 177.551 175.900 -0.013 0.000 1.256 39 Y CA 1.501 59.586 58.100 -0.026 0.000 1.451 39 Y CB 0.882 39.317 38.460 -0.042 0.000 1.342 39 Y HN 0.995 nan 8.280 nan 0.000 0.600 40 G N -0.361 108.553 108.800 0.190 0.000 2.738 40 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.195 40 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.195 40 G C -0.009 174.947 174.900 0.093 0.000 1.001 40 G CA 0.062 45.228 45.100 0.110 0.000 0.759 40 G HN 1.491 nan 8.290 nan 0.000 0.494 41 T N -2.800 111.811 114.554 0.095 0.000 0.541 41 T HA -0.138 4.212 4.350 -0.000 0.000 0.774 41 T C 0.905 175.638 174.700 0.054 0.000 0.992 41 T CA 1.395 63.539 62.100 0.074 0.000 4.077 41 T CB -1.409 67.502 68.868 0.071 0.000 2.303 41 T HN 1.124 nan 8.240 nan 0.000 0.398 42 T N 1.139 115.723 114.554 0.049 0.000 2.788 42 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 42 T C 2.496 177.213 174.700 0.028 0.000 1.044 42 T CA 1.879 64.005 62.100 0.043 0.000 1.139 42 T CB -0.642 68.255 68.868 0.049 0.000 0.867 42 T HN 1.015 nan 8.240 nan 0.000 0.454 43 C N 1.885 121.198 119.300 0.022 0.000 2.413 43 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 43 C C 3.085 178.051 174.990 -0.041 0.000 1.228 43 C CA 1.022 60.037 59.018 -0.006 0.000 1.731 43 C CB -1.438 26.302 27.740 0.001 0.000 2.042 43 C HN 0.576 nan 8.230 nan 0.000 0.468 44 A N 0.151 122.964 122.820 -0.012 0.000 1.930 44 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 44 A C 2.325 179.907 177.584 -0.003 0.000 1.175 44 A CA 1.459 53.495 52.037 -0.002 0.000 0.627 44 A CB -0.528 18.512 19.000 0.068 0.000 0.815 44 A HN 0.782 nan 8.150 nan 0.000 0.443 45 R N -1.114 119.389 120.500 0.005 0.000 2.066 45 R HA 0.038 4.378 4.340 -0.000 0.000 0.224 45 R C 1.144 177.433 176.300 -0.017 0.000 1.122 45 R CA 1.676 57.781 56.100 0.008 0.000 0.974 45 R CB -0.017 30.303 30.300 0.033 0.000 0.871 45 R HN 0.612 nan 8.270 nan 0.000 0.435 46 V N -4.611 115.298 119.914 -0.008 0.000 3.537 46 V HA 0.477 4.597 4.120 -0.000 0.000 0.315 46 V C 0.215 176.346 176.094 0.061 0.000 1.541 46 V CA 0.024 62.363 62.300 0.065 0.000 1.160 46 V CB 0.652 32.563 31.823 0.148 0.000 0.998 46 V HN 0.263 nan 8.190 nan 0.000 0.473 47 G N -0.128 108.645 108.800 -0.044 0.000 3.387 47 G HA2 0.348 4.308 3.960 -0.000 0.000 0.194 47 G HA3 0.348 4.308 3.960 -0.000 0.000 0.194 47 G C 0.316 175.164 174.900 -0.088 0.000 1.417 47 G CA 0.257 45.349 45.100 -0.012 0.000 0.777 47 G HN 0.434 nan 8.290 nan 0.000 0.721 51 S N 1.108 116.478 115.700 -0.549 0.000 2.356 51 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 51 S C 1.972 176.512 174.600 -0.101 0.000 1.032 51 S CA 1.342 59.478 58.200 -0.106 0.000 1.005 51 S CB -0.261 62.974 63.200 0.059 0.000 0.867 51 S HN 0.000 nan 8.310 nan 0.000 0.449 52 K N 1.499 121.784 120.400 -0.192 0.000 2.211 52 K HA 0.291 4.611 4.320 -0.000 0.000 0.203 52 K C 1.955 178.473 176.600 -0.135 0.000 1.050 52 K CA 0.747 56.900 56.287 -0.223 0.000 0.945 52 K CB -0.944 31.337 32.500 -0.365 0.000 0.732 52 K HN 0.430 nan 8.250 nan 0.000 0.451 53 L N -0.180 120.975 121.223 -0.113 0.000 2.046 53 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 53 L C 2.125 178.986 176.870 -0.015 0.000 1.077 53 L CA 0.678 55.490 54.840 -0.048 0.000 0.747 53 L CB -0.464 41.572 42.059 -0.039 0.000 0.896 53 L HN 0.113 nan 8.230 nan 0.000 0.432 54 L N 0.043 121.271 121.223 0.008 0.000 2.012 54 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 54 L C 2.320 179.200 176.870 0.018 0.000 1.073 54 L CA 1.789 56.665 54.840 0.060 0.000 0.748 54 L CB -0.339 41.825 42.059 0.175 0.000 0.891 54 L HN 0.104 nan 8.230 nan 0.000 0.431 55 I N -0.522 120.047 120.570 -0.001 0.000 2.226 55 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 55 I C 2.574 178.685 176.117 -0.011 0.000 1.100 55 I CA 1.194 62.487 61.300 -0.012 0.000 1.374 55 I CB -0.679 37.315 38.000 -0.010 0.000 1.057 55 I HN 0.365 nan 8.210 nan 0.000 0.413 56 A N 0.708 123.520 122.820 -0.014 0.000 1.898 56 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 56 A C 2.553 180.143 177.584 0.011 0.000 1.181 56 A CA 1.771 53.810 52.037 0.004 0.000 0.620 56 A CB -0.806 18.194 19.000 0.000 0.000 0.819 56 A HN 0.421 nan 8.150 nan 0.000 0.442 57 A N -0.070 122.755 122.820 0.008 0.000 1.902 57 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 57 A C 2.519 180.105 177.584 0.004 0.000 1.181 57 A CA 2.096 54.140 52.037 0.011 0.000 0.623 57 A CB -1.060 17.949 19.000 0.015 0.000 0.818 57 A HN 1.051 nan 8.150 nan 0.000 0.443 58 A N 0.135 122.950 122.820 -0.008 0.000 1.883 58 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 58 A C 1.780 179.337 177.584 -0.046 0.000 1.186 58 A CA 2.038 54.061 52.037 -0.023 0.000 0.624 58 A CB -0.677 18.294 19.000 -0.048 0.000 0.822 58 A HN 0.460 nan 8.150 nan 0.000 0.444 59 D N 0.032 120.386 120.400 -0.076 0.000 2.097 59 D HA -0.058 4.582 4.640 -0.000 0.000 0.195 59 D C 2.273 178.443 176.300 -0.216 0.000 0.989 59 D CA 1.587 55.457 54.000 -0.217 0.000 0.827 59 D CB -0.531 40.234 40.800 -0.059 0.000 0.966 59 D HN 0.418 nan 8.370 nan 0.000 0.456 60 A N 0.342 123.151 122.820 -0.018 0.000 1.865 60 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 60 A C 2.392 179.996 177.584 0.034 0.000 1.191 60 A CA 2.291 54.357 52.037 0.048 0.000 0.623 60 A CB -0.953 18.075 19.000 0.046 0.000 0.826 60 A HN 0.219 nan 8.150 nan 0.000 0.444 61 S N -2.243 113.471 115.700 0.024 0.000 2.356 61 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 61 S C 1.902 176.543 174.600 0.069 0.000 1.032 61 S CA 1.705 59.932 58.200 0.044 0.000 1.005 61 S CB -0.495 62.734 63.200 0.047 0.000 0.867 61 S HN 0.677 nan 8.310 nan 0.000 0.449 62 Y N 1.440 121.688 120.300 -0.086 0.000 2.163 62 Y HA -0.097 4.453 4.550 -0.000 0.000 0.288 62 Y C 2.067 177.978 175.900 0.018 0.000 1.136 62 Y CA 2.172 60.238 58.100 -0.058 0.000 1.147 62 Y CB -0.821 37.573 38.460 -0.110 0.000 0.987 62 Y HN 0.506 nan 8.280 nan 0.000 0.509 63 H N -0.802 118.305 119.070 0.062 0.000 2.422 63 H HA -0.097 4.459 4.556 -0.000 0.000 0.298 63 H C 2.194 177.491 175.328 -0.052 0.000 1.098 63 H CA 0.623 56.655 56.048 -0.027 0.000 1.315 63 H CB -0.090 29.715 29.762 0.073 0.000 1.382 63 H HN 0.464 nan 8.280 nan 0.000 0.523 64 A N 0.685 123.551 122.820 0.076 0.000 2.121 64 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 64 A C 2.307 179.892 177.584 0.002 0.000 1.154 64 A CA 1.286 53.348 52.037 0.042 0.000 0.679 64 A CB -0.355 18.669 19.000 0.039 0.000 0.795 64 A HN 0.489 nan 8.150 nan 0.000 0.458 65 S N -1.416 114.248 115.700 -0.060 0.000 2.593 65 S HA 0.044 4.514 4.470 -0.000 0.000 0.217 65 S C 0.970 175.498 174.600 -0.120 0.000 0.966 65 S CA 0.225 58.373 58.200 -0.087 0.000 0.914 65 S CB 0.050 63.188 63.200 -0.102 0.000 0.776 65 S HN 0.475 nan 8.310 nan 0.000 0.523 66 Q N 1.602 121.334 119.800 -0.113 0.000 2.175 66 Q HA 0.175 4.515 4.340 -0.000 0.000 0.225 66 Q C 1.253 177.304 176.000 0.085 0.000 0.837 66 Q CA 0.626 56.390 55.803 -0.065 0.000 1.032 66 Q CB 0.251 28.920 28.738 -0.115 0.000 1.137 66 Q HN 0.814 nan 8.270 nan 0.000 0.483 67 T N -2.835 111.783 114.554 0.107 0.000 3.035 67 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 67 T C 1.159 175.980 174.700 0.201 0.000 1.109 67 T CA 0.826 63.056 62.100 0.217 0.000 1.119 67 T CB 0.149 69.089 68.868 0.120 0.000 0.900 67 T HN 0.059 nan 8.240 nan 0.000 0.503 68 D N 1.075 121.518 120.400 0.071 0.000 2.178 68 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 68 D C 2.013 178.292 176.300 -0.035 0.000 0.974 68 D CA 0.672 54.688 54.000 0.027 0.000 0.841 68 D CB -0.151 40.650 40.800 0.001 0.000 0.953 68 D HN 0.311 nan 8.370 nan 0.000 0.478 69 L N 0.386 121.519 121.223 -0.150 0.000 2.089 69 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 69 L C 1.589 178.223 176.870 -0.395 0.000 1.079 69 L CA 1.707 56.328 54.840 -0.365 0.000 0.758 69 L CB -0.732 40.927 42.059 -0.667 0.000 0.891 69 L HN -0.071 nan 8.230 nan 0.000 0.433 70 F N -0.529 119.416 119.950 -0.009 0.000 2.776 70 F HA 0.394 4.921 4.527 -0.000 0.000 0.300 70 F C 1.825 177.621 175.800 -0.005 0.000 1.116 70 F CA 0.467 58.462 58.000 -0.008 0.000 1.375 70 F CB -0.052 38.941 39.000 -0.012 0.000 1.109 70 F HN 0.177 nan 8.300 nan 0.000 0.585 71 G N 0.983 109.862 108.800 0.132 0.000 2.138 71 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.193 71 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.193 71 G C -0.289 174.658 174.900 0.079 0.000 0.998 71 G CA -0.504 44.644 45.100 0.080 0.000 0.668 71 G HN 0.191 nan 8.290 nan 0.000 0.516 72 I N 1.047 121.677 120.570 0.101 0.000 2.474 72 I HA 0.580 4.750 4.170 -0.000 0.000 0.294 72 I C 0.280 176.432 176.117 0.059 0.000 1.005 72 I CA -0.822 60.521 61.300 0.073 0.000 1.113 72 I CB 1.948 39.991 38.000 0.073 0.000 1.289 72 I HN 0.412 nan 8.210 nan 0.000 0.436 73 Q N 4.647 124.470 119.800 0.039 0.000 2.378 73 Q HA 0.918 5.258 4.340 -0.000 0.000 0.276 73 Q C -1.630 174.385 176.000 0.025 0.000 1.083 73 Q CA -0.947 54.874 55.803 0.030 0.000 0.856 73 Q CB 2.751 31.502 28.738 0.022 0.000 1.383 73 Q HN 0.379 nan 8.270 nan 0.000 0.458 74 V N 0.977 120.903 119.914 0.021 0.000 2.888 74 V HA 0.109 4.229 4.120 -0.000 0.000 0.309 74 V C -0.802 175.301 176.094 0.016 0.000 1.114 74 V CA -0.465 61.846 62.300 0.018 0.000 0.940 74 V CB 2.169 34.004 31.823 0.019 0.000 1.021 74 V HN 0.930 nan 8.190 nan 0.000 0.426 75 D N 1.933 122.342 120.400 0.014 0.000 2.162 75 D HA 0.159 4.799 4.640 -0.000 0.000 0.205 75 D C 0.814 177.122 176.300 0.014 0.000 0.964 75 D CA 1.059 55.068 54.000 0.013 0.000 0.847 75 D CB 0.310 41.117 40.800 0.012 0.000 0.988 75 D HN 0.420 nan 8.370 nan 0.000 0.480 76 R N -0.392 120.117 120.500 0.015 0.000 2.579 76 R HA 0.424 4.764 4.340 -0.000 0.000 0.260 76 R C -1.884 174.426 176.300 0.017 0.000 1.103 76 R CA -0.465 55.645 56.100 0.016 0.000 0.942 76 R CB 1.037 31.346 30.300 0.015 0.000 1.251 76 R HN -0.132 nan 8.270 nan 0.000 0.450 77 I N 3.262 123.844 120.570 0.020 0.000 2.411 77 I HA 0.271 4.441 4.170 -0.000 0.000 0.284 77 I C -0.447 175.684 176.117 0.023 0.000 1.012 77 I CA -0.570 60.744 61.300 0.022 0.000 1.119 77 I CB 2.014 40.029 38.000 0.025 0.000 1.261 77 I HN 0.586 nan 8.210 nan 0.000 0.448 78 S N 5.670 121.383 115.700 0.021 0.000 2.498 78 S HA 0.615 5.085 4.470 -0.000 0.000 0.317 78 S C -0.607 174.005 174.600 0.021 0.000 1.090 78 S CA -0.728 57.484 58.200 0.020 0.000 1.089 78 S CB 1.680 64.891 63.200 0.017 0.000 0.997 78 S HN 0.245 nan 8.310 nan 0.000 0.470 79 V N 3.897 123.824 119.914 0.022 0.000 2.368 79 V HA 0.312 4.432 4.120 -0.000 0.000 0.266 79 V C 0.323 176.428 176.094 0.019 0.000 1.045 79 V CA -0.707 61.606 62.300 0.022 0.000 0.899 79 V CB 0.341 32.179 31.823 0.025 0.000 1.006 79 V HN 0.943 nan 8.190 nan 0.000 0.470 80 N N 4.547 123.257 118.700 0.017 0.000 2.663 80 N HA 0.190 4.930 4.740 -0.000 0.000 0.250 80 N C 1.339 176.858 175.510 0.015 0.000 1.129 80 N CA 0.460 53.519 53.050 0.015 0.000 0.995 80 N CB 1.253 39.747 38.487 0.012 0.000 1.324 80 N HN 0.666 nan 8.380 nan 0.000 0.512 81 G N 2.548 111.358 108.800 0.016 0.000 2.442 81 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 81 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 81 G C 1.398 176.307 174.900 0.015 0.000 1.141 81 G CA 0.678 45.788 45.100 0.016 0.000 0.763 81 G HN 0.531 nan 8.290 nan 0.000 0.554 82 K N 0.546 120.954 120.400 0.014 0.000 2.063 82 K HA 0.010 4.330 4.320 -0.000 0.000 0.208 82 K C 2.905 179.512 176.600 0.011 0.000 1.048 82 K CA 1.120 57.415 56.287 0.013 0.000 0.928 82 K CB -0.212 32.294 32.500 0.012 0.000 0.713 82 K HN 0.286 nan 8.250 nan 0.000 0.442 83 A N 1.257 124.083 122.820 0.010 0.000 1.968 83 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 83 A C 1.380 178.970 177.584 0.010 0.000 1.169 83 A CA 0.581 52.623 52.037 0.008 0.000 0.638 83 A CB -0.290 18.714 19.000 0.007 0.000 0.812 83 A HN 0.028 nan 8.150 nan 0.000 0.446 87 R N 1.289 121.789 120.500 0.000 0.000 2.075 87 R HA 0.100 4.440 4.340 -0.000 0.000 0.232 87 R C 1.937 178.234 176.300 -0.005 0.000 1.126 87 R CA 1.727 57.823 56.100 -0.007 0.000 0.963 87 R CB -0.363 29.936 30.300 -0.002 0.000 0.858 87 R HN 0.360 nan 8.270 nan 0.000 0.435 88 I N 0.962 121.538 120.570 0.011 0.000 2.163 88 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 88 I C 2.459 178.574 176.117 -0.003 0.000 1.085 88 I CA 1.655 62.961 61.300 0.011 0.000 1.347 88 I CB -0.216 37.814 38.000 0.051 0.000 1.044 88 I HN 0.250 nan 8.210 nan 0.000 0.408 89 Q N -0.090 119.715 119.800 0.008 0.000 2.083 89 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 89 Q C 2.350 178.331 176.000 -0.032 0.000 0.969 89 Q CA 2.269 58.071 55.803 -0.001 0.000 0.838 89 Q CB -0.256 28.491 28.738 0.014 0.000 0.900 89 Q HN 0.659 nan 8.270 nan 0.000 0.436 90 T N -0.789 113.739 114.554 -0.044 0.000 2.777 90 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 90 T C 1.611 176.236 174.700 -0.125 0.000 1.040 90 T CA 0.967 63.021 62.100 -0.077 0.000 1.141 90 T CB -0.116 68.710 68.868 -0.070 0.000 0.868 90 T HN 0.070 nan 8.240 nan 0.000 0.444 91 E N 1.920 122.054 120.200 -0.110 0.000 2.051 91 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 91 E C 2.462 178.968 176.600 -0.157 0.000 0.991 91 E CA 1.621 57.916 56.400 -0.175 0.000 0.799 91 E CB -0.342 29.317 29.700 -0.068 0.000 0.748 91 E HN 0.740 nan 8.360 nan 0.000 0.449 92 R N 1.489 121.990 120.500 0.002 0.000 2.120 92 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 92 R C 1.504 177.800 176.300 -0.005 0.000 1.123 92 R CA 1.615 57.768 56.100 0.089 0.000 0.975 92 R CB -0.494 29.816 30.300 0.017 0.000 0.866 92 R HN -0.020 nan 8.270 nan 0.000 0.446 93 D N 0.651 121.001 120.400 -0.082 0.000 2.117 93 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 93 D C 1.810 177.973 176.300 -0.229 0.000 0.987 93 D CA 1.214 55.144 54.000 -0.117 0.000 0.829 93 D CB -0.291 40.444 40.800 -0.107 0.000 0.961 93 D HN 0.339 nan 8.370 nan 0.000 0.460 94 R N -0.384 119.911 120.500 -0.342 0.000 2.083 94 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 94 R C 2.227 178.071 176.300 -0.760 0.000 1.137 94 R CA 1.169 56.909 56.100 -0.599 0.000 0.951 94 R CB -0.294 29.631 30.300 -0.625 0.000 0.851 94 R HN 0.118 nan 8.270 nan 0.000 0.434 95 F N -0.077 119.722 119.950 -0.253 0.000 2.146 95 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 95 F C 2.368 178.112 175.800 -0.093 0.000 1.096 95 F CA 0.866 58.812 58.000 -0.090 0.000 1.275 95 F CB -0.762 38.244 39.000 0.010 0.000 1.008 95 F HN -0.167 nan 8.300 nan 0.000 0.480 96 V N 0.079 120.024 119.914 0.052 0.000 2.392 96 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 96 V C 2.694 178.763 176.094 -0.042 0.000 1.059 96 V CA 1.994 64.308 62.300 0.023 0.000 1.051 96 V CB -1.560 30.266 31.823 0.005 0.000 0.658 96 V HN 0.478 nan 8.190 nan 0.000 0.455 97 G N -0.701 107.985 108.800 -0.191 0.000 2.440 97 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 97 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 97 G C 1.533 176.362 174.900 -0.117 0.000 1.154 97 G CA 0.891 45.860 45.100 -0.218 0.000 0.767 97 G HN 0.500 nan 8.290 nan 0.000 0.552 98 F N 0.349 120.294 119.950 -0.007 0.000 2.095 98 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 98 F C 2.893 178.678 175.800 -0.025 0.000 1.104 98 F CA 0.681 58.678 58.000 -0.004 0.000 1.232 98 F CB -0.385 38.643 39.000 0.047 0.000 0.987 98 F HN -0.015 nan 8.300 nan 0.000 0.475 99 V N -0.369 119.653 119.914 0.180 0.000 2.358 99 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 99 V C 2.208 178.282 176.094 -0.033 0.000 1.047 99 V CA 1.383 63.727 62.300 0.074 0.000 1.035 99 V CB -0.617 31.260 31.823 0.090 0.000 0.658 99 V HN 0.179 nan 8.190 nan 0.000 0.452 100 V N -0.272 119.624 119.914 -0.030 0.000 2.407 100 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 100 V C 2.425 178.421 176.094 -0.163 0.000 1.055 100 V CA 2.068 64.308 62.300 -0.100 0.000 1.049 100 V CB -0.638 31.156 31.823 -0.048 0.000 0.662 100 V HN 0.601 nan 8.190 nan 0.000 0.455 101 E N 0.095 120.240 120.200 -0.091 0.000 2.058 101 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 101 E C 2.449 178.931 176.600 -0.197 0.000 0.997 101 E CA 1.745 58.087 56.400 -0.096 0.000 0.801 101 E CB -0.159 29.546 29.700 0.009 0.000 0.746 101 E HN 0.582 nan 8.360 nan 0.000 0.450 102 S N 0.137 115.705 115.700 -0.222 0.000 2.353 102 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 102 S C 2.155 176.205 174.600 -0.916 0.000 1.035 102 S CA 1.133 59.091 58.200 -0.402 0.000 1.025 102 S CB -0.270 62.774 63.200 -0.261 0.000 0.902 102 S HN 0.089 nan 8.310 nan 0.000 0.440 103 V N 1.591 121.001 119.914 -0.839 0.000 2.380 103 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 103 V C 2.456 178.110 176.094 -0.732 0.000 1.063 103 V CA 1.951 63.650 62.300 -1.002 0.000 1.055 103 V CB -0.702 30.643 31.823 -0.796 0.000 0.657 103 V HN 0.378 nan 8.190 nan 0.000 0.455 104 E N 0.576 120.483 120.200 -0.487 0.000 2.153 104 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 104 E C 2.334 178.801 176.600 -0.221 0.000 0.988 104 E CA 1.318 57.545 56.400 -0.288 0.000 0.811 104 E CB -0.247 29.336 29.700 -0.195 0.000 0.746 104 E HN 0.769 nan 8.360 nan 0.000 0.466 105 S N -0.545 114.986 115.700 -0.281 0.000 2.489 105 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 105 S C 0.499 175.130 174.600 0.052 0.000 0.995 105 S CA -0.189 57.939 58.200 -0.119 0.000 0.934 105 S CB -0.299 62.839 63.200 -0.103 0.000 0.771 105 S HN -0.011 nan 8.310 nan 0.000 0.522 106 F N 3.362 123.279 119.950 -0.056 0.000 2.506 106 F HA 0.349 4.876 4.527 -0.000 0.000 0.351 106 F C 0.684 176.469 175.800 -0.024 0.000 1.136 106 F CA -1.882 56.098 58.000 -0.033 0.000 1.298 106 F CB -0.369 38.520 39.000 -0.185 0.000 1.145 106 F HN 0.041 nan 8.300 nan 0.000 0.593 107 D N 2.509 123.049 120.400 0.233 0.000 2.531 107 D HA -0.052 4.588 4.640 -0.000 0.000 0.239 107 D C 1.282 177.634 176.300 0.087 0.000 1.144 107 D CA 0.289 54.364 54.000 0.126 0.000 0.869 107 D CB 0.513 41.379 40.800 0.111 0.000 1.160 107 D HN 0.347 nan 8.370 nan 0.000 0.484 108 E N 1.964 122.194 120.200 0.051 0.000 2.097 108 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 108 E C 1.890 178.508 176.600 0.031 0.000 1.000 108 E CA 1.008 57.425 56.400 0.029 0.000 0.804 108 E CB -0.149 29.559 29.700 0.015 0.000 0.740 108 E HN 0.658 nan 8.360 nan 0.000 0.454 109 Q N 0.538 120.360 119.800 0.036 0.000 2.436 109 Q HA -0.112 4.228 4.340 -0.000 0.000 0.209 109 Q C 0.195 176.221 176.000 0.044 0.000 0.965 109 Q CA 1.051 56.875 55.803 0.035 0.000 0.910 109 Q CB -0.041 28.716 28.738 0.032 0.000 0.980 109 Q HN 0.092 nan 8.270 nan 0.000 0.491 110 D N 1.053 121.485 120.400 0.054 0.000 2.340 110 D HA 0.142 4.782 4.640 -0.000 0.000 0.220 110 D C -0.435 175.862 176.300 -0.006 0.000 1.039 110 D CA 0.409 54.442 54.000 0.055 0.000 0.866 110 D CB 0.300 41.168 40.800 0.112 0.000 0.913 110 D HN 0.247 nan 8.370 nan 0.000 0.523 111 K N 0.471 120.879 120.400 0.014 0.000 2.426 111 K HA 0.549 4.869 4.320 -0.000 0.000 0.254 111 K C -0.633 175.997 176.600 0.051 0.000 0.936 111 K CA -0.459 55.846 56.287 0.029 0.000 0.801 111 K CB 2.648 35.171 32.500 0.039 0.000 1.139 111 K HN -0.150 nan 8.250 nan 0.000 0.424 112 I N 2.506 123.111 120.570 0.058 0.000 2.465 112 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 112 I C -0.150 175.999 176.117 0.054 0.000 1.014 112 I CA -1.059 60.279 61.300 0.064 0.000 1.093 112 I CB 1.643 39.688 38.000 0.074 0.000 1.267 112 I HN 0.303 nan 8.210 nan 0.000 0.431 113 R N 3.892 124.423 120.500 0.052 0.000 2.254 113 R HA 0.753 5.093 4.340 -0.000 0.000 0.318 113 R C -0.017 176.311 176.300 0.047 0.000 1.031 113 R CA -0.290 55.804 56.100 -0.009 0.000 0.905 113 R CB 1.389 31.676 30.300 -0.022 0.000 1.050 113 R HN 0.990 nan 8.270 nan 0.000 0.456 114 G N 2.161 110.880 108.800 -0.135 0.000 2.351 114 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.353 114 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.353 114 G C -1.449 173.254 174.900 -0.329 0.000 1.358 114 G CA -1.062 43.946 45.100 -0.154 0.000 0.995 114 G HN 0.296 nan 8.290 nan 0.000 0.611 115 F N 1.122 121.047 119.950 -0.042 0.000 2.410 115 F HA 0.637 5.164 4.527 -0.000 0.000 0.348 115 F C 1.070 176.826 175.800 -0.074 0.000 1.106 115 F CA 0.495 58.464 58.000 -0.051 0.000 1.163 115 F CB 1.838 40.814 39.000 -0.040 0.000 1.129 115 F HN 0.744 nan 8.300 nan 0.000 0.516 116 A N 4.532 127.407 122.820 0.093 0.000 2.306 116 A HA 0.802 5.122 4.320 -0.000 0.000 0.330 116 A C -0.714 176.873 177.584 0.005 0.000 1.146 116 A CA -0.708 51.324 52.037 -0.009 0.000 0.827 116 A CB 1.082 20.032 19.000 -0.083 0.000 1.178 116 A HN 0.794 nan 8.150 nan 0.000 0.490 117 K N 0.915 121.291 120.400 -0.041 0.000 2.502 117 K HA 0.590 4.910 4.320 -0.000 0.000 0.257 117 K C -1.715 174.865 176.600 -0.033 0.000 0.938 117 K CA -0.619 55.678 56.287 0.017 0.000 0.819 117 K CB 1.200 33.733 32.500 0.056 0.000 1.333 117 K HN 0.357 nan 8.250 nan 0.000 0.434 118 F N 2.389 122.339 119.950 0.000 0.000 2.495 118 F HA 0.147 4.674 4.527 -0.000 0.000 0.365 118 F C 1.408 177.208 175.800 -0.000 0.000 1.090 118 F CA -0.406 57.593 58.000 -0.001 0.000 1.235 118 F CB 0.677 39.669 39.000 -0.013 0.000 1.119 118 F HN 0.365 nan 8.300 nan 0.000 0.562 119 L N 1.103 122.420 121.223 0.157 0.000 2.316 119 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 119 L C 0.085 177.028 176.870 0.122 0.000 1.070 119 L CA 0.393 55.297 54.840 0.107 0.000 0.820 119 L CB -0.110 41.985 42.059 0.060 0.000 0.992 119 L HN 0.693 nan 8.230 nan 0.000 0.466 120 D N -2.897 117.601 120.400 0.163 0.000 2.921 120 D HA 0.043 4.683 4.640 -0.000 0.000 0.329 120 D C 0.240 176.672 176.300 0.219 0.000 1.293 120 D CA -0.639 53.451 54.000 0.150 0.000 0.964 120 D CB 0.427 41.296 40.800 0.114 0.000 1.435 120 D HN -0.162 nan 8.370 nan 0.000 0.548 121 E N -1.599 118.686 120.200 0.141 0.000 2.338 121 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 121 E C 0.578 177.201 176.600 0.038 0.000 1.007 121 E CA 0.766 57.224 56.400 0.098 0.000 0.849 121 E CB -0.014 29.695 29.700 0.014 0.000 0.774 121 E HN 0.349 nan 8.360 nan 0.000 0.506 122 H N -1.112 118.085 119.070 0.212 0.000 2.893 122 H HA 0.201 4.757 4.556 -0.000 0.000 0.270 122 H C -0.225 175.140 175.328 0.061 0.000 1.095 122 H CA 0.343 56.457 56.048 0.109 0.000 1.186 122 H CB 1.113 30.876 29.762 0.002 0.000 1.562 122 H HN -0.070 nan 8.280 nan 0.000 0.536 123 T N 2.450 117.096 114.554 0.153 0.000 2.840 123 T HA 0.482 4.832 4.350 -0.000 0.000 0.287 123 T C 0.127 174.819 174.700 -0.014 0.000 0.991 123 T CA -0.553 61.587 62.100 0.067 0.000 0.964 123 T CB 1.948 70.860 68.868 0.074 0.000 0.954 123 T HN 0.011 nan 8.240 nan 0.000 0.438 124 L N 2.559 123.726 121.223 -0.093 0.000 2.334 124 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 124 L C 0.079 176.893 176.870 -0.092 0.000 1.020 124 L CA -0.980 53.757 54.840 -0.172 0.000 0.812 124 L CB 1.831 43.735 42.059 -0.257 0.000 1.264 124 L HN 0.531 nan 8.230 nan 0.000 0.439 125 Q N 1.285 121.032 119.800 -0.088 0.000 2.340 125 Q HA 0.529 4.869 4.340 -0.000 0.000 0.268 125 Q C -1.694 174.241 176.000 -0.109 0.000 1.031 125 Q CA -0.655 55.100 55.803 -0.080 0.000 0.804 125 Q CB 2.528 31.234 28.738 -0.053 0.000 1.286 125 Q HN 0.462 nan 8.270 nan 0.000 0.448 126 V N 5.165 124.978 119.914 -0.168 0.000 2.350 126 V HA 0.179 4.299 4.120 -0.000 0.000 0.276 126 V C 0.118 175.952 176.094 -0.433 0.000 1.028 126 V CA -0.369 61.785 62.300 -0.243 0.000 0.860 126 V CB 1.058 32.753 31.823 -0.213 0.000 0.990 126 V HN 1.021 nan 8.190 nan 0.000 0.453 127 D N 4.169 124.429 120.400 -0.234 0.000 3.630 127 D HA -0.268 4.372 4.640 -0.000 0.000 0.154 127 D C 0.866 177.062 176.300 -0.173 0.000 0.923 127 D CA 2.095 55.998 54.000 -0.161 0.000 0.967 127 D CB -0.276 40.447 40.800 -0.127 0.000 0.459 127 D HN 0.931 nan 8.370 nan 0.000 0.425 128 D N -0.504 119.813 120.400 -0.138 0.000 2.440 128 D HA 0.052 4.692 4.640 -0.000 0.000 0.216 128 D C 1.060 177.351 176.300 -0.016 0.000 1.150 128 D CA 0.473 54.441 54.000 -0.054 0.000 0.832 128 D CB -0.592 40.214 40.800 0.010 0.000 0.992 128 D HN 0.710 nan 8.370 nan 0.000 0.502 129 H N -2.337 116.740 119.070 0.011 0.000 2.788 129 H HA 0.472 5.028 4.556 -0.000 0.000 0.262 129 H C -0.122 175.208 175.328 0.004 0.000 0.968 129 H CA -0.262 55.790 56.048 0.006 0.000 1.218 129 H CB 0.373 30.138 29.762 0.005 0.000 1.443 129 H HN -0.092 nan 8.280 nan 0.000 0.478 130 S N 0.198 115.881 115.700 -0.028 0.000 2.540 130 S HA 0.429 4.899 4.470 -0.000 0.000 0.275 130 S C -1.236 173.348 174.600 -0.026 0.000 1.123 130 S CA -0.880 57.350 58.200 0.050 0.000 0.907 130 S CB 2.690 65.980 63.200 0.150 0.000 1.081 130 S HN 0.389 nan 8.310 nan 0.000 0.476 131 Q N 1.390 121.190 119.800 0.001 0.000 2.353 131 Q HA 0.652 4.992 4.340 -0.000 0.000 0.268 131 Q C -1.446 174.553 176.000 -0.002 0.000 1.045 131 Q CA -0.687 55.110 55.803 -0.011 0.000 0.811 131 Q CB 2.192 30.929 28.738 -0.002 0.000 1.305 131 Q HN 0.443 nan 8.270 nan 0.000 0.447 132 V N 4.352 124.256 119.914 -0.016 0.000 2.409 132 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 132 V C -0.383 175.711 176.094 0.000 0.000 1.020 132 V CA -0.551 61.744 62.300 -0.008 0.000 0.848 132 V CB 1.360 33.169 31.823 -0.023 0.000 0.990 132 V HN 0.689 nan 8.190 nan 0.000 0.430 133 I N 4.788 125.367 120.570 0.014 0.000 2.287 133 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 133 I C 0.546 176.685 176.117 0.036 0.000 1.069 133 I CA -0.042 61.276 61.300 0.030 0.000 1.237 133 I CB 1.046 39.056 38.000 0.016 0.000 1.418 133 I HN 0.672 nan 8.210 nan 0.000 0.481 134 A N 6.136 128.999 122.820 0.071 0.000 2.303 134 A HA 0.443 4.763 4.320 -0.000 0.000 0.320 134 A C 0.866 178.549 177.584 0.164 0.000 1.192 134 A CA -0.692 51.396 52.037 0.084 0.000 0.821 134 A CB 0.867 19.906 19.000 0.065 0.000 1.188 134 A HN 0.768 nan 8.150 nan 0.000 0.492 135 K N 0.540 120.989 120.400 0.082 0.000 2.097 135 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 135 K C 0.118 176.733 176.600 0.025 0.000 1.049 135 K CA 1.217 57.528 56.287 0.040 0.000 0.933 135 K CB -0.024 32.469 32.500 -0.012 0.000 0.717 135 K HN 0.642 nan 8.250 nan 0.000 0.442 136 R N -0.369 120.173 120.500 0.071 0.000 2.725 136 R HA 0.493 4.833 4.340 -0.000 0.000 0.277 136 R C -1.153 175.254 176.300 0.178 0.000 0.987 136 R CA -0.386 55.791 56.100 0.129 0.000 0.901 136 R CB 1.789 32.154 30.300 0.108 0.000 1.207 136 R HN -0.074 nan 8.270 nan 0.000 0.463 137 I N 1.507 122.227 120.570 0.249 0.000 2.533 137 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 137 I C -0.900 175.386 176.117 0.281 0.000 1.056 137 I CA -1.118 60.303 61.300 0.202 0.000 1.057 137 I CB 2.402 40.513 38.000 0.185 0.000 1.240 137 I HN 0.176 nan 8.210 nan 0.000 0.423 138 V N 6.925 126.952 119.914 0.189 0.000 2.357 138 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 138 V C 0.154 176.330 176.094 0.137 0.000 1.018 138 V CA -0.515 61.897 62.300 0.186 0.000 0.841 138 V CB 1.561 33.437 31.823 0.089 0.000 0.991 138 V HN 0.460 nan 8.190 nan 0.000 0.437 139 I N 4.489 125.152 120.570 0.154 0.000 2.363 139 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 139 I C 0.756 176.912 176.117 0.065 0.000 1.075 139 I CA 0.215 61.586 61.300 0.119 0.000 1.333 139 I CB 1.040 39.119 38.000 0.132 0.000 1.415 139 I HN 0.719 nan 8.210 nan 0.000 0.502 140 A N 3.847 126.701 122.820 0.057 0.000 2.959 140 A HA 0.252 4.572 4.320 -0.000 0.000 0.280 140 A C 0.901 178.510 177.584 0.042 0.000 0.953 140 A CA -0.365 51.696 52.037 0.041 0.000 1.047 140 A CB -0.347 18.681 19.000 0.047 0.000 1.147 140 A HN 0.712 nan 8.150 nan 0.000 0.489 141 T N -3.017 111.562 114.554 0.043 0.000 3.144 141 T HA 0.449 4.799 4.350 -0.000 0.000 0.249 141 T C 1.295 176.023 174.700 0.046 0.000 1.089 141 T CA 0.813 62.946 62.100 0.054 0.000 0.989 141 T CB -0.236 68.674 68.868 0.069 0.000 0.992 141 T HN 1.895 nan 8.240 nan 0.000 0.540 142 G N 1.952 110.771 108.800 0.031 0.000 2.578 142 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.275 142 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.275 142 G C -0.052 174.861 174.900 0.023 0.000 1.271 142 G CA 0.053 45.169 45.100 0.028 0.000 0.941 142 G HN 1.571 nan 8.290 nan 0.000 0.564 143 S N -1.034 114.683 115.700 0.027 0.000 2.667 143 S HA 0.881 5.351 4.470 -0.000 0.000 0.292 143 S C -0.294 174.324 174.600 0.030 0.000 1.126 143 S CA 0.214 58.428 58.200 0.023 0.000 0.881 143 S CB 2.429 65.642 63.200 0.022 0.000 1.132 143 S HN 1.655 nan 8.310 nan 0.000 0.492 144 R N -0.915 119.598 120.500 0.021 0.000 2.867 144 R HA 0.769 5.109 4.340 -0.000 0.000 0.268 144 R C -3.373 172.943 176.300 0.027 0.000 1.014 144 R CA -2.289 53.826 56.100 0.024 0.000 0.946 144 R CB 0.431 30.735 30.300 0.007 0.000 1.208 144 R HN 0.325 nan 8.270 nan 0.000 0.477 145 P HA 0.159 nan 4.420 nan 0.000 0.271 145 P C -1.326 175.990 177.300 0.028 0.000 1.216 145 P CA -0.162 62.986 63.100 0.079 0.000 0.776 145 P CB 0.598 32.380 31.700 0.137 0.000 0.881 146 N N 1.454 120.169 118.700 0.025 0.000 2.284 146 N HA 0.641 5.381 4.740 -0.000 0.000 0.289 146 N C -1.819 173.684 175.510 -0.011 0.000 1.179 146 N CA -0.659 52.311 53.050 -0.134 0.000 0.774 146 N CB 1.262 39.688 38.487 -0.101 0.000 1.548 146 N HN 0.386 nan 8.380 nan 0.000 0.473 147 Y N -0.885 119.381 120.300 -0.057 0.000 2.604 147 Y HA 0.614 5.164 4.550 -0.000 0.000 0.331 147 Y C -2.879 172.944 175.900 -0.128 0.000 1.158 147 Y CA -1.895 56.144 58.100 -0.102 0.000 1.056 147 Y CB -0.092 38.273 38.460 -0.158 0.000 1.330 147 Y HN 0.328 nan 8.280 nan 0.000 0.457 148 P HA 0.114 nan 4.420 nan 0.000 0.272 148 P C 0.176 177.454 177.300 -0.037 0.000 1.240 148 P CA -0.048 63.052 63.100 -0.000 0.000 0.791 148 P CB 1.573 33.335 31.700 0.103 0.000 0.978 149 E N 0.658 120.875 120.200 0.029 0.000 2.160 149 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 149 E C 1.659 178.270 176.600 0.019 0.000 0.991 149 E CA 1.250 57.675 56.400 0.041 0.000 0.810 149 E CB -0.763 28.973 29.700 0.059 0.000 0.742 149 E HN 0.569 nan 8.360 nan 0.000 0.466 150 F N -0.772 119.175 119.950 -0.004 0.000 2.333 150 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 150 F C 1.586 177.321 175.800 -0.107 0.000 1.083 150 F CA 0.442 58.410 58.000 -0.054 0.000 1.395 150 F CB -0.364 38.592 39.000 -0.073 0.000 1.056 150 F HN 0.037 nan 8.300 nan 0.000 0.529 151 L N 1.104 121.821 121.223 -0.844 0.000 2.313 151 L HA 0.258 4.598 4.340 -0.000 0.000 0.214 151 L C 2.521 179.134 176.870 -0.430 0.000 1.119 151 L CA 1.139 55.491 54.840 -0.814 0.000 0.809 151 L CB -1.447 40.030 42.059 -0.971 0.000 0.933 151 L HN 0.307 nan 8.230 nan 0.000 0.449 152 A N -0.763 121.941 122.820 -0.193 0.000 2.070 152 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 152 A C 2.338 179.879 177.584 -0.071 0.000 1.159 152 A CA 1.269 53.272 52.037 -0.057 0.000 0.656 152 A CB -0.635 18.436 19.000 0.118 0.000 0.800 152 A HN 0.374 nan 8.150 nan 0.000 0.453 153 A N -0.362 122.417 122.820 -0.068 0.000 2.172 153 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 153 A C 2.195 179.749 177.584 -0.049 0.000 1.154 153 A CA 1.335 53.352 52.037 -0.034 0.000 0.701 153 A CB -0.658 18.343 19.000 0.002 0.000 0.789 153 A HN 0.965 nan 8.150 nan 0.000 0.465 154 A N -0.961 121.800 122.820 -0.097 0.000 2.125 154 A HA 0.341 4.661 4.320 -0.000 0.000 0.219 154 A C 2.043 179.595 177.584 -0.053 0.000 1.156 154 A CA 1.596 53.587 52.037 -0.076 0.000 0.671 154 A CB -1.141 17.790 19.000 -0.115 0.000 0.794 154 A HN 1.886 nan 8.150 nan 0.000 0.459 155 G N -0.333 108.433 108.800 -0.056 0.000 2.622 155 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.307 155 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.307 155 G C 1.375 176.266 174.900 -0.016 0.000 1.226 155 G CA 1.782 46.865 45.100 -0.028 0.000 0.997 155 G HN 1.614 nan 8.290 nan 0.000 0.551 156 S N 0.250 115.950 115.700 -0.001 0.000 2.547 156 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 156 S C 1.778 176.416 174.600 0.063 0.000 0.980 156 S CA 1.645 59.859 58.200 0.023 0.000 0.941 156 S CB -0.055 63.156 63.200 0.018 0.000 0.763 156 S HN 0.713 nan 8.310 nan 0.000 0.532 157 R N -0.038 120.489 120.500 0.045 0.000 2.468 157 R HA 0.385 4.725 4.340 -0.000 0.000 0.280 157 R C -0.562 175.841 176.300 0.173 0.000 0.963 157 R CA -0.412 55.763 56.100 0.125 0.000 1.083 157 R CB 0.107 30.353 30.300 -0.089 0.000 1.200 157 R HN 0.306 nan 8.270 nan 0.000 0.541 158 L N 1.879 123.122 121.223 0.034 0.000 2.360 158 L HA 0.207 4.547 4.340 -0.000 0.000 0.276 158 L C -0.744 176.095 176.870 -0.052 0.000 1.121 158 L CA -0.021 54.779 54.840 -0.068 0.000 0.845 158 L CB 0.469 42.398 42.059 -0.218 0.000 1.143 158 L HN -0.115 nan 8.230 nan 0.000 0.452 159 L N 4.513 125.688 121.223 -0.081 0.000 2.334 159 L HA 0.763 5.103 4.340 -0.000 0.000 0.273 159 L C 0.373 177.161 176.870 -0.137 0.000 1.013 159 L CA -0.057 54.704 54.840 -0.132 0.000 0.816 159 L CB 1.877 43.816 42.059 -0.201 0.000 1.278 159 L HN 0.896 nan 8.230 nan 0.000 0.431 160 T N -1.958 112.523 114.554 -0.122 0.000 2.669 160 T HA 0.290 4.640 4.350 -0.000 0.000 0.283 160 T C 0.871 175.504 174.700 -0.113 0.000 1.019 160 T CA -0.308 61.743 62.100 -0.081 0.000 1.039 160 T CB 0.838 69.706 68.868 0.001 0.000 1.374 160 T HN 0.563 nan 8.240 nan 0.000 0.523 161 N N 0.468 119.144 118.700 -0.040 0.000 2.364 161 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 161 N C 0.556 176.122 175.510 0.093 0.000 1.022 161 N CA 1.314 54.378 53.050 0.023 0.000 0.883 161 N CB -0.640 37.947 38.487 0.167 0.000 0.965 161 N HN 0.543 nan 8.380 nan 0.000 0.438 162 D N 0.837 121.269 120.400 0.055 0.000 2.264 162 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 162 D C 0.979 177.300 176.300 0.035 0.000 0.966 162 D CA 0.938 54.977 54.000 0.065 0.000 0.864 162 D CB -0.081 40.750 40.800 0.051 0.000 0.933 162 D HN 0.663 nan 8.370 nan 0.000 0.499 163 N N -0.611 118.067 118.700 -0.037 0.000 2.113 163 N HA -0.037 4.703 4.740 -0.000 0.000 0.223 163 N C 1.385 176.792 175.510 -0.172 0.000 1.310 163 N CA -0.179 52.831 53.050 -0.067 0.000 0.896 163 N CB -0.399 38.052 38.487 -0.060 0.000 1.097 163 N HN 0.048 nan 8.380 nan 0.000 0.507 164 L N 0.252 121.281 121.223 -0.323 0.000 2.083 164 L HA 0.189 4.529 4.340 -0.000 0.000 0.209 164 L C 0.983 177.552 176.870 -0.502 0.000 1.083 164 L CA 1.691 56.211 54.840 -0.534 0.000 0.752 164 L CB -0.638 40.950 42.059 -0.785 0.000 0.899 164 L HN 0.021 nan 8.230 nan 0.000 0.433 165 F N -0.355 119.554 119.950 -0.068 0.000 2.811 165 F HA 0.087 4.614 4.527 -0.000 0.000 0.301 165 F C 1.879 177.653 175.800 -0.045 0.000 1.151 165 F CA 0.139 58.109 58.000 -0.050 0.000 1.412 165 F CB -0.441 38.540 39.000 -0.031 0.000 1.113 165 F HN 0.160 nan 8.300 nan 0.000 0.579 166 E N 0.437 120.665 120.200 0.047 0.000 2.474 166 E HA 0.139 4.489 4.350 -0.000 0.000 0.195 166 E C 0.679 177.270 176.600 -0.014 0.000 1.039 166 E CA 0.063 56.478 56.400 0.026 0.000 0.881 166 E CB -0.135 29.575 29.700 0.017 0.000 0.970 166 E HN 0.337 nan 8.360 nan 0.000 0.486 167 L N 3.307 124.493 121.223 -0.060 0.000 2.540 167 L HA 0.004 4.344 4.340 -0.000 0.000 0.276 167 L C 1.897 178.756 176.870 -0.017 0.000 1.212 167 L CA -0.001 54.799 54.840 -0.066 0.000 0.893 167 L CB 0.226 42.202 42.059 -0.138 0.000 1.138 167 L HN 0.113 nan 8.230 nan 0.000 0.491 168 N N 1.408 120.108 118.700 -0.000 0.000 2.459 168 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 168 N C -0.033 175.485 175.510 0.012 0.000 1.046 168 N CA 0.709 53.766 53.050 0.010 0.000 0.904 168 N CB 0.402 38.898 38.487 0.016 0.000 0.964 168 N HN 0.715 nan 8.380 nan 0.000 0.444 169 D N -0.491 119.915 120.400 0.011 0.000 2.609 169 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 169 D C -1.019 175.286 176.300 0.010 0.000 1.229 169 D CA -0.601 53.409 54.000 0.017 0.000 0.808 169 D CB 1.715 42.532 40.800 0.029 0.000 1.448 169 D HN -0.051 nan 8.370 nan 0.000 0.433 170 L N 2.347 123.577 121.223 0.013 0.000 2.416 170 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 170 L C -1.683 175.210 176.870 0.039 0.000 1.161 170 L CA -1.230 53.615 54.840 0.007 0.000 0.845 170 L CB 0.374 42.438 42.059 0.009 0.000 1.119 170 L HN 0.279 nan 8.230 nan 0.000 0.464 171 P HA 0.071 nan 4.420 nan 0.000 0.270 171 P C 0.035 177.398 177.300 0.105 0.000 1.223 171 P CA -0.438 62.750 63.100 0.147 0.000 0.785 171 P CB 0.654 32.478 31.700 0.207 0.000 0.923 172 K N -0.073 120.392 120.400 0.108 0.000 2.116 172 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 172 K C 0.637 177.283 176.600 0.076 0.000 1.052 172 K CA 1.173 57.500 56.287 0.066 0.000 0.952 172 K CB -0.239 32.284 32.500 0.037 0.000 0.729 172 K HN 0.691 nan 8.250 nan 0.000 0.446 173 S N -0.905 114.871 115.700 0.127 0.000 2.537 173 S HA 0.547 5.017 4.470 -0.000 0.000 0.271 173 S C -0.850 173.936 174.600 0.310 0.000 1.148 173 S CA -1.029 57.285 58.200 0.190 0.000 0.868 173 S CB 2.251 65.517 63.200 0.111 0.000 1.115 173 S HN -0.182 nan 8.310 nan 0.000 0.461 174 V N 1.072 121.183 119.914 0.328 0.000 2.668 174 V HA 0.806 4.926 4.120 -0.000 0.000 0.304 174 V C 0.033 176.105 176.094 -0.038 0.000 1.071 174 V CA -0.577 61.841 62.300 0.196 0.000 0.894 174 V CB 1.593 33.451 31.823 0.059 0.000 1.008 174 V HN 1.345 nan 8.190 nan 0.000 0.425 175 A N 4.530 127.125 122.820 -0.375 0.000 2.276 175 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 175 A C -0.404 176.995 177.584 -0.308 0.000 1.235 175 A CA -0.355 51.255 52.037 -0.712 0.000 0.867 175 A CB 0.748 19.151 19.000 -0.995 0.000 1.137 175 A HN 0.762 nan 8.150 nan 0.000 0.527 176 V N 3.096 122.761 119.914 -0.415 0.000 2.427 176 V HA 0.449 4.569 4.120 -0.000 0.000 0.286 176 V C -0.759 175.108 176.094 -0.379 0.000 1.034 176 V CA -0.141 62.008 62.300 -0.251 0.000 0.893 176 V CB 0.750 32.431 31.823 -0.236 0.000 0.982 176 V HN 0.697 nan 8.190 nan 0.000 0.452 177 F N 2.183 122.165 119.950 0.052 0.000 2.467 177 F HA 0.769 5.296 4.527 -0.000 0.000 0.336 177 F C 0.686 176.545 175.800 0.099 0.000 1.123 177 F CA -0.293 57.788 58.000 0.133 0.000 0.964 177 F CB 2.036 41.105 39.000 0.117 0.000 1.136 177 F HN 0.769 nan 8.300 nan 0.000 0.447 178 G N 4.261 113.217 108.800 0.261 0.000 3.380 178 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.685 178 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.685 178 G C -2.990 171.982 174.900 0.119 0.000 1.136 178 G CA -1.223 43.991 45.100 0.191 0.000 1.011 178 G HN 0.423 nan 8.290 nan 0.000 0.471 179 P HA 0.323 nan 4.420 nan 0.000 0.231 179 P C 1.198 178.536 177.300 0.063 0.000 1.833 179 P CA 0.648 63.799 63.100 0.085 0.000 1.023 179 P CB 0.563 32.466 31.700 0.340 0.000 1.643 180 G N 0.010 108.846 108.800 0.061 0.000 2.489 180 G HA2 0.182 4.142 3.960 -0.000 0.000 0.271 180 G HA3 0.182 4.142 3.960 -0.000 0.000 0.271 180 G C 1.146 176.062 174.900 0.026 0.000 1.427 180 G CA -0.399 44.735 45.100 0.058 0.000 1.057 180 G HN -0.050 nan 8.290 nan 0.000 0.532 181 V N 0.010 119.950 119.914 0.043 0.000 2.252 181 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 181 V C 2.831 178.941 176.094 0.027 0.000 1.056 181 V CA 2.039 64.364 62.300 0.042 0.000 1.022 181 V CB -0.746 31.114 31.823 0.062 0.000 0.641 181 V HN 0.542 nan 8.190 nan 0.000 0.445 182 I N 0.454 121.045 120.570 0.035 0.000 2.163 182 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 182 I C 2.634 178.737 176.117 -0.023 0.000 1.081 182 I CA 1.740 63.058 61.300 0.031 0.000 1.353 182 I CB -0.970 37.062 38.000 0.052 0.000 1.054 182 I HN 0.394 nan 8.210 nan 0.000 0.407 183 G N 0.796 109.573 108.800 -0.038 0.000 2.442 183 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 183 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 183 G C 1.559 176.336 174.900 -0.206 0.000 1.141 183 G CA 0.516 45.560 45.100 -0.094 0.000 0.763 183 G HN 0.134 nan 8.290 nan 0.000 0.554 184 L N 0.448 121.526 121.223 -0.241 0.000 2.095 184 L HA 0.164 4.504 4.340 -0.000 0.000 0.204 184 L C 2.655 179.310 176.870 -0.357 0.000 1.080 184 L CA 1.131 55.721 54.840 -0.417 0.000 0.759 184 L CB -1.115 40.651 42.059 -0.489 0.000 0.914 184 L HN 0.317 nan 8.230 nan 0.000 0.439 185 E N -0.704 119.387 120.200 -0.182 0.000 2.049 185 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 185 E C 2.048 178.569 176.600 -0.132 0.000 1.007 185 E CA 1.230 57.575 56.400 -0.092 0.000 0.809 185 E CB -0.072 29.646 29.700 0.031 0.000 0.749 185 E HN 0.180 nan 8.360 nan 0.000 0.450 186 L N -0.046 121.101 121.223 -0.127 0.000 2.095 186 L HA -0.009 4.331 4.340 -0.000 0.000 0.204 186 L C 2.401 179.128 176.870 -0.239 0.000 1.080 186 L CA 1.730 56.491 54.840 -0.131 0.000 0.759 186 L CB -1.377 40.622 42.059 -0.100 0.000 0.914 186 L HN 0.159 nan 8.230 nan 0.000 0.439 187 G N -1.233 107.370 108.800 -0.328 0.000 2.446 187 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 187 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 187 G C 1.552 176.032 174.900 -0.700 0.000 1.168 187 G CA 0.914 45.728 45.100 -0.477 0.000 0.771 187 G HN 0.450 nan 8.290 nan 0.000 0.551 188 Q N 0.047 119.359 119.800 -0.812 0.000 2.079 188 Q HA 0.028 4.368 4.340 -0.000 0.000 0.200 188 Q C 2.844 178.597 176.000 -0.412 0.000 0.974 188 Q CA 1.507 56.824 55.803 -0.810 0.000 0.840 188 Q CB -0.314 28.118 28.738 -0.510 0.000 0.898 188 Q HN 0.409 nan 8.270 nan 0.000 0.430 189 A N 0.725 123.381 122.820 -0.274 0.000 1.877 189 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 189 A C 2.052 179.551 177.584 -0.143 0.000 1.186 189 A CA 1.296 53.238 52.037 -0.158 0.000 0.620 189 A CB -0.782 18.165 19.000 -0.087 0.000 0.822 189 A HN 0.449 nan 8.150 nan 0.000 0.443 190 L N -0.694 120.426 121.223 -0.171 0.000 2.012 190 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 190 L C 2.952 179.752 176.870 -0.116 0.000 1.073 190 L CA 1.638 56.400 54.840 -0.129 0.000 0.748 190 L CB -0.492 41.483 42.059 -0.140 0.000 0.891 190 L HN 0.510 nan 8.230 nan 0.000 0.431 191 S N -0.083 115.503 115.700 -0.190 0.000 2.368 191 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 191 S C 2.102 176.666 174.600 -0.059 0.000 1.030 191 S CA 1.244 59.365 58.200 -0.132 0.000 0.999 191 S CB -0.148 62.909 63.200 -0.238 0.000 0.844 191 S HN 0.322 nan 8.310 nan 0.000 0.459 192 R N -0.191 120.250 120.500 -0.098 0.000 2.237 192 R HA 0.077 4.417 4.340 -0.000 0.000 0.219 192 R C 0.973 177.295 176.300 0.037 0.000 1.080 192 R CA 0.543 56.630 56.100 -0.021 0.000 0.995 192 R CB -0.134 30.105 30.300 -0.102 0.000 0.875 192 R HN 0.316 nan 8.270 nan 0.000 0.462 193 L N -0.629 120.594 121.223 0.000 0.000 2.628 193 L HA 0.241 4.581 4.340 -0.000 0.000 0.229 193 L C 1.146 178.031 176.870 0.025 0.000 1.137 193 L CA 0.873 55.721 54.840 0.014 0.000 0.909 193 L CB 0.143 42.200 42.059 -0.004 0.000 1.137 193 L HN 0.415 nan 8.230 nan 0.000 0.470 194 G N -1.029 107.791 108.800 0.034 0.000 2.176 194 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 194 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 194 G C 0.349 175.269 174.900 0.034 0.000 0.986 194 G CA 0.157 45.282 45.100 0.041 0.000 0.643 194 G HN 0.099 nan 8.290 nan 0.000 0.522 195 V N 3.087 123.014 119.914 0.021 0.000 2.572 195 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 195 V C 1.217 177.336 176.094 0.041 0.000 1.039 195 V CA -0.617 61.700 62.300 0.028 0.000 1.055 195 V CB 1.151 32.979 31.823 0.007 0.000 0.969 195 V HN 0.255 nan 8.190 nan 0.000 0.482 196 I N 6.408 127.016 120.570 0.064 0.000 2.494 196 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 196 I C 0.186 176.394 176.117 0.152 0.000 1.106 196 I CA 0.702 62.055 61.300 0.087 0.000 1.369 196 I CB 0.499 38.527 38.000 0.047 0.000 1.410 196 I HN 0.506 nan 8.210 nan 0.000 0.523 197 V N 6.305 126.291 119.914 0.119 0.000 2.823 197 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 197 V C -0.553 175.592 176.094 0.085 0.000 1.072 197 V CA -0.803 61.548 62.300 0.084 0.000 0.937 197 V CB 2.580 34.345 31.823 -0.097 0.000 1.013 197 V HN 0.700 nan 8.190 nan 0.000 0.430 198 K N 3.773 124.132 120.400 -0.068 0.000 2.324 198 K HA 0.760 5.080 4.320 -0.000 0.000 0.253 198 K C -1.554 174.708 176.600 -0.563 0.000 0.932 198 K CA -0.778 55.340 56.287 -0.281 0.000 0.799 198 K CB 2.528 34.691 32.500 -0.561 0.000 1.154 198 K HN 0.648 nan 8.250 nan 0.000 0.425 199 V N 3.893 123.586 119.914 -0.368 0.000 2.417 199 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 199 V C -1.004 174.861 176.094 -0.382 0.000 1.024 199 V CA -0.764 61.346 62.300 -0.317 0.000 0.861 199 V CB 0.594 32.417 31.823 -0.000 0.000 0.985 199 V HN 0.544 nan 8.190 nan 0.000 0.436 200 F N 2.816 122.682 119.950 -0.140 0.000 2.427 200 F HA 0.755 5.282 4.527 -0.000 0.000 0.348 200 F C 0.811 176.669 175.800 0.096 0.000 1.125 200 F CA -0.478 57.483 58.000 -0.067 0.000 0.989 200 F CB 1.815 40.656 39.000 -0.267 0.000 1.165 200 F HN 0.579 nan 8.300 nan 0.000 0.442 201 G N 2.070 111.064 108.800 0.323 0.000 2.471 201 G HA2 0.452 4.412 3.960 -0.000 0.000 0.332 201 G HA3 0.452 4.412 3.960 -0.000 0.000 0.332 201 G C 0.223 175.261 174.900 0.231 0.000 1.176 201 G CA -0.563 44.709 45.100 0.287 0.000 0.949 201 G HN 0.630 nan 8.290 nan 0.000 0.488 202 R N -0.967 119.654 120.500 0.202 0.000 2.142 202 R HA 0.067 4.407 4.340 -0.000 0.000 0.204 202 R C 1.745 178.110 176.300 0.108 0.000 1.059 202 R CA 1.138 57.336 56.100 0.163 0.000 1.055 202 R CB 0.271 30.676 30.300 0.175 0.000 0.976 202 R HN 0.549 nan 8.270 nan 0.000 0.483 203 S N -1.883 113.877 115.700 0.101 0.000 2.749 203 S HA 0.266 4.736 4.470 -0.000 0.000 0.246 203 S C 0.813 175.447 174.600 0.058 0.000 1.023 203 S CA 0.197 58.440 58.200 0.072 0.000 1.012 203 S CB 1.358 64.602 63.200 0.073 0.000 0.942 203 S HN 0.477 nan 8.310 nan 0.000 0.531 204 G N 1.146 109.977 108.800 0.052 0.000 2.195 204 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 204 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 204 G C 0.175 175.115 174.900 0.067 0.000 0.984 204 G CA -0.079 45.040 45.100 0.032 0.000 0.633 204 G HN 0.705 nan 8.290 nan 0.000 0.525 205 S N -0.286 115.475 115.700 0.102 0.000 2.558 205 S HA 0.409 4.879 4.470 -0.000 0.000 0.293 205 S C 0.280 175.004 174.600 0.206 0.000 1.292 205 S CA 0.562 58.841 58.200 0.131 0.000 1.063 205 S CB 1.844 65.122 63.200 0.130 0.000 0.831 205 S HN 1.046 nan 8.310 nan 0.000 0.499 206 V N 2.507 122.532 119.914 0.185 0.000 2.462 206 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 206 V C 0.545 176.730 176.094 0.152 0.000 1.020 206 V CA -0.045 62.398 62.300 0.239 0.000 0.857 206 V CB 0.111 32.077 31.823 0.238 0.000 1.013 206 V HN 1.280 nan 8.190 nan 0.000 0.431 207 A N 5.223 128.120 122.820 0.128 0.000 5.483 207 A HA -0.274 4.046 4.320 -0.000 0.000 0.309 207 A C 1.238 178.878 177.584 0.092 0.000 1.898 207 A CA 1.781 53.877 52.037 0.098 0.000 0.716 207 A CB -1.261 17.816 19.000 0.129 0.000 1.309 207 A HN 0.786 nan 8.150 nan 0.000 0.380 208 N N -0.099 118.652 118.700 0.086 0.000 2.230 208 N HA 0.330 5.070 4.740 -0.000 0.000 0.202 208 N C 0.018 175.575 175.510 0.077 0.000 1.119 208 N CA 0.284 53.379 53.050 0.076 0.000 0.851 208 N CB -0.337 38.190 38.487 0.066 0.000 0.990 208 N HN 0.521 nan 8.380 nan 0.000 0.497 209 L N 1.054 122.328 121.223 0.085 0.000 2.490 209 L HA 0.009 4.349 4.340 -0.000 0.000 0.274 209 L C 1.563 178.478 176.870 0.075 0.000 1.201 209 L CA 0.367 55.257 54.840 0.084 0.000 0.869 209 L CB 0.726 42.828 42.059 0.071 0.000 1.123 209 L HN 0.038 nan 8.230 nan 0.000 0.484 210 Q N 0.659 120.505 119.800 0.076 0.000 2.402 210 Q HA 0.032 4.372 4.340 -0.000 0.000 0.231 210 Q C -0.105 175.936 176.000 0.068 0.000 0.888 210 Q CA -0.047 55.791 55.803 0.060 0.000 0.938 210 Q CB 0.474 29.233 28.738 0.034 0.000 1.086 210 Q HN 0.666 nan 8.270 nan 0.000 0.543 211 D N 0.865 121.324 120.400 0.099 0.000 2.390 211 D HA -0.055 4.585 4.640 -0.000 0.000 0.249 211 D C 0.851 177.199 176.300 0.081 0.000 1.144 211 D CA 0.084 54.151 54.000 0.111 0.000 0.880 211 D CB 1.158 42.058 40.800 0.167 0.000 1.182 211 D HN -0.073 nan 8.370 nan 0.000 0.451 212 E N 3.100 123.342 120.200 0.069 0.000 2.058 212 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 212 E C 0.532 177.162 176.600 0.050 0.000 0.997 212 E CA 1.108 57.539 56.400 0.052 0.000 0.801 212 E CB -0.125 29.601 29.700 0.045 0.000 0.746 212 E HN 0.695 nan 8.360 nan 0.000 0.450 216 R N 1.010 121.517 120.500 0.011 0.000 2.096 216 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 216 R C 2.059 178.351 176.300 -0.014 0.000 1.127 216 R CA 1.582 57.680 56.100 -0.004 0.000 0.968 216 R CB -0.608 29.700 30.300 0.014 0.000 0.861 216 R HN 0.316 nan 8.270 nan 0.000 0.440 217 Y N 1.363 121.603 120.300 -0.099 0.000 2.163 217 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 217 Y C 2.343 178.105 175.900 -0.231 0.000 1.136 217 Y CA 1.624 59.666 58.100 -0.098 0.000 1.147 217 Y CB -0.277 38.168 38.460 -0.026 0.000 0.987 217 Y HN 0.085 nan 8.280 nan 0.000 0.509 218 A N 0.134 122.764 122.820 -0.317 0.000 1.902 218 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 218 A C 2.204 179.454 177.584 -0.556 0.000 1.181 218 A CA 1.888 53.337 52.037 -0.980 0.000 0.623 218 A CB -0.925 17.301 19.000 -1.291 0.000 0.818 218 A HN 0.667 nan 8.150 nan 0.000 0.443 219 E N -0.065 120.052 120.200 -0.138 0.000 2.051 219 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 219 E C 2.084 178.647 176.600 -0.061 0.000 0.991 219 E CA 1.526 57.995 56.400 0.115 0.000 0.799 219 E CB -0.172 29.520 29.700 -0.014 0.000 0.748 219 E HN 0.614 nan 8.360 nan 0.000 0.449 220 K N -0.245 120.042 120.400 -0.188 0.000 2.032 220 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 220 K C 2.065 178.505 176.600 -0.267 0.000 1.048 220 K CA 2.016 58.167 56.287 -0.227 0.000 0.927 220 K CB -0.167 32.178 32.500 -0.259 0.000 0.712 220 K HN 0.123 nan 8.250 nan 0.000 0.441 221 T N 0.916 115.239 114.554 -0.386 0.000 2.674 221 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 221 T C 1.593 176.164 174.700 -0.214 0.000 1.039 221 T CA 1.676 63.585 62.100 -0.319 0.000 1.150 221 T CB -0.413 68.316 68.868 -0.231 0.000 0.864 221 T HN 0.134 nan 8.240 nan 0.000 0.427 222 F N 2.242 122.110 119.950 -0.137 0.000 2.126 222 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 222 F C 2.408 177.811 175.800 -0.661 0.000 1.096 222 F CA 0.272 58.015 58.000 -0.429 0.000 1.255 222 F CB -1.057 37.621 39.000 -0.537 0.000 0.997 222 F HN 0.172 nan 8.300 nan 0.000 0.479 223 N N 0.544 119.104 118.700 -0.233 0.000 2.430 223 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 223 N C 1.487 176.914 175.510 -0.140 0.000 1.032 223 N CA 0.958 53.871 53.050 -0.228 0.000 0.893 223 N CB -0.299 38.078 38.487 -0.184 0.000 0.957 223 N HN 0.516 nan 8.380 nan 0.000 0.442 224 E N 0.226 120.364 120.200 -0.103 0.000 2.347 224 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 224 E C 1.402 178.020 176.600 0.031 0.000 1.008 224 E CA 0.583 56.967 56.400 -0.026 0.000 0.852 224 E CB 0.222 29.915 29.700 -0.013 0.000 0.783 224 E HN 0.453 nan 8.360 nan 0.000 0.505 225 E N -0.585 119.617 120.200 0.003 0.000 2.279 225 E HA 0.072 4.422 4.350 -0.000 0.000 0.199 225 E C -0.071 176.652 176.600 0.205 0.000 0.893 225 E CA 0.064 56.540 56.400 0.126 0.000 0.978 225 E CB 0.596 30.403 29.700 0.177 0.000 0.964 225 E HN 0.084 nan 8.360 nan 0.000 0.486 226 F N -1.951 118.051 119.950 0.086 0.000 2.629 226 F HA 0.413 4.940 4.527 -0.000 0.000 0.316 226 F C -0.947 174.929 175.800 0.126 0.000 1.081 226 F CA -1.610 56.441 58.000 0.085 0.000 0.954 226 F CB 0.418 39.430 39.000 0.020 0.000 1.337 226 F HN -0.189 nan 8.300 nan 0.000 0.474 227 Y N 2.747 123.157 120.300 0.183 0.000 2.605 227 Y HA 0.341 4.891 4.550 -0.000 0.000 0.336 227 Y C -1.270 174.702 175.900 0.119 0.000 1.111 227 Y CA -0.151 57.993 58.100 0.072 0.000 1.422 227 Y CB 0.228 38.706 38.460 0.031 0.000 1.193 227 Y HN 0.598 nan 8.280 nan 0.000 0.526 228 F N 7.484 127.200 119.950 -0.390 0.000 2.617 228 F HA 0.311 4.838 4.527 -0.000 0.000 0.325 228 F C -1.858 173.739 175.800 -0.339 0.000 1.179 228 F CA -1.423 56.428 58.000 -0.248 0.000 0.965 228 F CB 1.051 39.950 39.000 -0.169 0.000 1.232 228 F HN 0.450 nan 8.300 nan 0.000 0.461 229 D N 4.789 124.868 120.400 -0.535 0.000 2.461 229 D HA 0.470 5.110 4.640 -0.000 0.000 0.240 229 D C 0.494 176.514 176.300 -0.467 0.000 1.094 229 D CA 0.022 53.720 54.000 -0.503 0.000 0.868 229 D CB 1.940 42.691 40.800 -0.081 0.000 1.062 229 D HN 0.679 nan 8.370 nan 0.000 0.530 230 A N 4.035 126.404 122.820 -0.751 0.000 2.168 230 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 230 A C 1.208 178.739 177.584 -0.089 0.000 1.152 230 A CA 0.804 52.615 52.037 -0.376 0.000 0.716 230 A CB 0.113 18.903 19.000 -0.350 0.000 0.794 230 A HN 0.456 nan 8.150 nan 0.000 0.465 231 K N 0.155 120.507 120.400 -0.080 0.000 2.896 231 K HA 0.432 4.752 4.320 -0.000 0.000 0.210 231 K C -0.129 176.515 176.600 0.074 0.000 1.116 231 K CA -0.078 56.214 56.287 0.009 0.000 1.050 231 K CB 0.859 33.351 32.500 -0.014 0.000 0.812 231 K HN 0.335 nan 8.250 nan 0.000 0.462 232 A N 1.375 124.283 122.820 0.148 0.000 2.445 232 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 232 A C -0.144 177.561 177.584 0.203 0.000 1.075 232 A CA -0.042 52.147 52.037 0.254 0.000 0.777 232 A CB 0.239 19.508 19.000 0.448 0.000 1.013 232 A HN 0.397 nan 8.150 nan 0.000 0.493 233 R N 1.322 121.962 120.500 0.233 0.000 2.215 233 R HA 0.469 4.809 4.340 -0.000 0.000 0.336 233 R C -1.299 175.144 176.300 0.238 0.000 0.996 233 R CA -0.303 55.916 56.100 0.199 0.000 0.847 233 R CB 1.442 31.838 30.300 0.161 0.000 1.127 233 R HN 0.459 nan 8.270 nan 0.000 0.465 234 V N 5.461 125.407 119.914 0.053 0.000 2.398 234 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 234 V C 1.225 177.206 176.094 -0.190 0.000 1.026 234 V CA -0.410 61.847 62.300 -0.071 0.000 0.868 234 V CB 1.669 33.416 31.823 -0.127 0.000 0.982 234 V HN 0.769 nan 8.190 nan 0.000 0.443 235 I N 2.592 123.092 120.570 -0.117 0.000 2.270 235 I HA 0.049 4.219 4.170 -0.000 0.000 0.239 235 I C 0.887 176.874 176.117 -0.217 0.000 1.080 235 I CA 1.032 62.250 61.300 -0.136 0.000 1.383 235 I CB 0.280 38.231 38.000 -0.082 0.000 1.097 235 I HN 0.789 nan 8.210 nan 0.000 0.420 236 S N -0.304 115.324 115.700 -0.119 0.000 2.567 236 S HA 0.455 4.925 4.470 -0.000 0.000 0.270 236 S C -0.482 174.167 174.600 0.081 0.000 1.152 236 S CA -0.642 57.557 58.200 -0.003 0.000 0.835 236 S CB 1.842 65.047 63.200 0.008 0.000 1.115 236 S HN 0.188 nan 8.310 nan 0.000 0.459 237 T N -0.467 114.162 114.554 0.125 0.000 3.135 237 T HA 0.597 4.947 4.350 -0.000 0.000 0.357 237 T C -0.708 174.013 174.700 0.035 0.000 1.112 237 T CA -0.430 61.711 62.100 0.069 0.000 1.290 237 T CB -0.640 68.199 68.868 -0.048 0.000 1.018 237 T HN 0.673 nan 8.240 nan 0.000 0.527 238 I N 1.904 122.499 120.570 0.043 0.000 2.378 238 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 238 I C 0.519 176.646 176.117 0.018 0.000 0.992 238 I CA -0.994 60.320 61.300 0.023 0.000 1.154 238 I CB 1.964 39.978 38.000 0.023 0.000 1.315 238 I HN 0.605 nan 8.210 nan 0.000 0.448 239 E N 6.828 127.029 120.200 0.002 0.000 2.414 239 E HA 0.091 4.440 4.350 -0.000 0.000 0.263 239 E C -0.657 175.939 176.600 -0.006 0.000 1.000 239 E CA 0.092 56.488 56.400 -0.007 0.000 0.914 239 E CB 0.742 30.432 29.700 -0.017 0.000 0.948 239 E HN 0.400 nan 8.360 nan 0.000 0.444 240 K N 2.589 122.983 120.400 -0.011 0.000 2.380 240 K HA 0.106 4.426 4.320 -0.000 0.000 0.243 240 K C 0.970 177.555 176.600 -0.025 0.000 1.071 240 K CA -0.379 55.900 56.287 -0.014 0.000 0.942 240 K CB 0.527 33.021 32.500 -0.010 0.000 1.324 240 K HN 0.614 nan 8.250 nan 0.000 0.517 241 E N 0.430 120.616 120.200 -0.024 0.000 2.333 241 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 241 E C -0.232 176.346 176.600 -0.037 0.000 1.007 241 E CA 1.866 58.250 56.400 -0.026 0.000 0.845 241 E CB -0.186 29.501 29.700 -0.021 0.000 0.766 241 E HN 0.615 nan 8.360 nan 0.000 0.507 242 D N -1.115 119.256 120.400 -0.049 0.000 2.557 242 D HA 0.359 4.999 4.640 -0.000 0.000 0.317 242 D C -0.004 176.237 176.300 -0.098 0.000 1.403 242 D CA 0.115 54.074 54.000 -0.070 0.000 0.886 242 D CB 0.331 41.098 40.800 -0.054 0.000 1.363 242 D HN 0.252 nan 8.370 nan 0.000 0.458 243 A N -0.426 122.346 122.820 -0.080 0.000 2.534 243 A HA 0.781 5.101 4.320 -0.000 0.000 0.300 243 A C -1.729 175.835 177.584 -0.033 0.000 1.223 243 A CA -0.734 51.259 52.037 -0.073 0.000 0.666 243 A CB 1.298 20.273 19.000 -0.040 0.000 1.316 243 A HN 0.227 nan 8.150 nan 0.000 0.468 244 V N 1.111 121.042 119.914 0.028 0.000 2.407 244 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 244 V C -0.129 176.050 176.094 0.142 0.000 1.018 244 V CA -0.424 61.921 62.300 0.074 0.000 0.842 244 V CB 1.239 33.118 31.823 0.095 0.000 0.996 244 V HN 0.893 nan 8.190 nan 0.000 0.426 245 E N 3.789 124.050 120.200 0.102 0.000 2.217 245 E HA 0.378 4.728 4.350 -0.000 0.000 0.279 245 E C -1.028 175.671 176.600 0.165 0.000 1.068 245 E CA -0.271 56.200 56.400 0.120 0.000 0.882 245 E CB 1.125 30.860 29.700 0.060 0.000 1.039 245 E HN 0.543 nan 8.360 nan 0.000 0.418 246 V N 7.084 127.159 119.914 0.269 0.000 2.370 246 V HA 0.329 4.449 4.120 -0.000 0.000 0.283 246 V C 0.092 176.342 176.094 0.260 0.000 1.023 246 V CA -0.566 61.909 62.300 0.291 0.000 0.857 246 V CB 1.105 33.171 31.823 0.406 0.000 0.985 246 V HN 0.619 nan 8.190 nan 0.000 0.443 247 I N 7.020 127.674 120.570 0.139 0.000 2.362 247 I HA 0.609 4.779 4.170 -0.000 0.000 0.289 247 I C -0.566 175.551 176.117 -0.001 0.000 0.994 247 I CA -0.531 60.775 61.300 0.011 0.000 1.158 247 I CB 1.154 39.106 38.000 -0.079 0.000 1.315 247 I HN 0.781 nan 8.210 nan 0.000 0.451 248 Y N 4.021 124.176 120.300 -0.242 0.000 2.744 248 Y HA 0.675 5.225 4.550 -0.000 0.000 0.330 248 Y C -1.930 173.770 175.900 -0.333 0.000 1.263 248 Y CA -1.869 56.084 58.100 -0.246 0.000 1.065 248 Y CB 0.915 39.219 38.460 -0.261 0.000 1.306 248 Y HN 0.195 nan 8.280 nan 0.000 0.459 249 F N 2.462 122.470 119.950 0.096 0.000 2.427 249 F HA 0.361 4.888 4.527 -0.000 0.000 0.346 249 F C 0.232 176.205 175.800 0.288 0.000 1.120 249 F CA -0.598 57.430 58.000 0.047 0.000 1.033 249 F CB 1.060 40.097 39.000 0.062 0.000 1.126 249 F HN 0.667 nan 8.300 nan 0.000 0.462 250 D N 1.863 122.468 120.400 0.340 0.000 2.376 250 D HA 0.068 4.708 4.640 -0.000 0.000 0.268 250 D C 0.386 176.911 176.300 0.375 0.000 1.252 250 D CA -0.360 53.946 54.000 0.509 0.000 1.041 250 D CB 0.434 41.480 40.800 0.409 0.000 1.109 250 D HN 0.469 nan 8.370 nan 0.000 0.552 251 K N -0.969 119.615 120.400 0.307 0.000 2.525 251 K HA 0.086 4.406 4.320 -0.000 0.000 0.192 251 K C 0.526 177.195 176.600 0.116 0.000 1.029 251 K CA 0.287 56.669 56.287 0.157 0.000 1.029 251 K CB -0.016 32.522 32.500 0.062 0.000 0.814 251 K HN 0.188 nan 8.250 nan 0.000 0.503 252 S N -0.262 115.523 115.700 0.141 0.000 2.650 252 S HA 0.184 4.654 4.470 -0.000 0.000 0.240 252 S C 0.991 175.655 174.600 0.106 0.000 1.007 252 S CA 0.092 58.352 58.200 0.099 0.000 0.984 252 S CB 1.231 64.485 63.200 0.089 0.000 0.910 252 S HN 0.534 nan 8.310 nan 0.000 0.509 253 G N 1.757 110.647 108.800 0.150 0.000 2.162 253 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 253 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 253 G C 0.008 175.106 174.900 0.330 0.000 0.976 253 G CA 0.183 45.384 45.100 0.169 0.000 0.655 253 G HN 0.492 nan 8.290 nan 0.000 0.533 254 Q N 0.719 120.662 119.800 0.238 0.000 2.307 254 Q HA 0.519 4.859 4.340 -0.000 0.000 0.259 254 Q C 0.629 176.633 176.000 0.007 0.000 0.998 254 Q CA -0.258 55.630 55.803 0.141 0.000 0.923 254 Q CB 0.486 29.261 28.738 0.060 0.000 1.196 254 Q HN 0.390 nan 8.270 nan 0.000 0.416 255 K N 2.499 122.830 120.400 -0.116 0.000 2.448 255 K HA 0.147 4.466 4.320 -0.000 0.000 0.278 255 K C -0.958 175.374 176.600 -0.446 0.000 1.009 255 K CA 0.532 56.459 56.287 -0.599 0.000 0.995 255 K CB 0.368 32.564 32.500 -0.507 0.000 0.917 255 K HN 0.658 nan 8.250 nan 0.000 0.481 256 T N 2.545 116.732 114.554 -0.611 0.000 2.993 256 T HA 0.200 4.550 4.350 -0.000 0.000 0.312 256 T C -1.206 173.236 174.700 -0.430 0.000 1.115 256 T CA -0.680 61.099 62.100 -0.536 0.000 1.027 256 T CB 1.845 70.234 68.868 -0.798 0.000 1.116 256 T HN 0.460 nan 8.240 nan 0.000 0.464 257 T N 3.019 117.448 114.554 -0.208 0.000 2.770 257 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 257 T C -0.663 174.045 174.700 0.013 0.000 0.988 257 T CA -0.570 61.486 62.100 -0.072 0.000 0.957 257 T CB 1.297 70.126 68.868 -0.066 0.000 0.930 257 T HN 0.629 nan 8.240 nan 0.000 0.443 258 E N 1.598 121.882 120.200 0.139 0.000 2.314 258 E HA 0.507 4.857 4.350 -0.000 0.000 0.272 258 E C -1.148 175.509 176.600 0.095 0.000 0.884 258 E CA -0.579 55.886 56.400 0.108 0.000 0.753 258 E CB 1.684 31.536 29.700 0.252 0.000 1.213 258 E HN 0.490 nan 8.360 nan 0.000 0.432 259 S N 3.543 119.179 115.700 -0.107 0.000 2.438 259 S HA 0.533 5.003 4.470 -0.000 0.000 0.293 259 S C -1.251 173.193 174.600 -0.260 0.000 1.141 259 S CA -0.465 57.694 58.200 -0.068 0.000 1.080 259 S CB 0.064 63.219 63.200 -0.075 0.000 0.978 259 S HN 0.366 nan 8.310 nan 0.000 0.479 260 F N 2.632 122.608 119.950 0.044 0.000 2.522 260 F HA 0.435 4.962 4.527 -0.000 0.000 0.324 260 F C 1.448 177.237 175.800 -0.018 0.000 1.077 260 F CA -0.735 57.288 58.000 0.038 0.000 0.944 260 F CB 1.681 40.733 39.000 0.088 0.000 1.175 260 F HN 0.600 nan 8.300 nan 0.000 0.468 261 Q N 1.194 121.068 119.800 0.124 0.000 2.123 261 Q HA -0.044 4.296 4.340 -0.000 0.000 0.199 261 Q C -0.825 174.984 176.000 -0.319 0.000 0.966 261 Q CA 1.596 57.340 55.803 -0.099 0.000 0.845 261 Q CB 0.256 28.959 28.738 -0.058 0.000 0.907 261 Q HN 0.671 nan 8.270 nan 0.000 0.439 262 Y N -2.109 118.262 120.300 0.118 0.000 2.669 262 Y HA 0.538 5.088 4.550 -0.000 0.000 0.335 262 Y C -0.862 175.084 175.900 0.078 0.000 1.116 262 Y CA -1.166 56.974 58.100 0.065 0.000 1.081 262 Y CB 1.906 40.372 38.460 0.011 0.000 1.297 262 Y HN -0.345 nan 8.280 nan 0.000 0.484 263 V N 2.227 122.278 119.914 0.228 0.000 2.656 263 V HA 0.429 4.549 4.120 -0.000 0.000 0.307 263 V C -1.377 174.767 176.094 0.082 0.000 1.051 263 V CA -0.761 61.631 62.300 0.153 0.000 0.893 263 V CB 2.070 33.959 31.823 0.110 0.000 0.999 263 V HN 0.501 nan 8.190 nan 0.000 0.426 264 L N 4.831 126.100 121.223 0.077 0.000 2.280 264 L HA 0.815 5.155 4.340 -0.000 0.000 0.287 264 L C 0.388 177.290 176.870 0.054 0.000 1.023 264 L CA -0.205 54.634 54.840 -0.001 0.000 0.819 264 L CB 1.146 43.167 42.059 -0.064 0.000 1.212 264 L HN 0.743 nan 8.230 nan 0.000 0.420 265 A N 4.749 127.545 122.820 -0.040 0.000 2.376 265 A HA 0.643 4.963 4.320 -0.000 0.000 0.298 265 A C 0.601 178.210 177.584 0.042 0.000 1.271 265 A CA 0.259 52.283 52.037 -0.021 0.000 0.926 265 A CB -0.024 18.861 19.000 -0.192 0.000 1.141 265 A HN 1.078 nan 8.150 nan 0.000 0.539 266 A N 3.166 126.038 122.820 0.087 0.000 2.676 266 A HA 0.463 4.783 4.320 -0.000 0.000 0.297 266 A C 1.023 178.670 177.584 0.105 0.000 1.132 266 A CA 0.374 52.455 52.037 0.074 0.000 0.972 266 A CB -0.738 18.283 19.000 0.034 0.000 1.197 266 A HN 0.957 nan 8.150 nan 0.000 0.524 267 T N -2.307 112.328 114.554 0.134 0.000 2.640 267 T HA 0.425 4.775 4.350 -0.000 0.000 0.316 267 T C 0.985 175.747 174.700 0.103 0.000 1.036 267 T CA 0.085 62.265 62.100 0.134 0.000 1.009 267 T CB 0.252 69.208 68.868 0.147 0.000 1.017 267 T HN 0.838 nan 8.240 nan 0.000 0.530 268 G N 0.330 109.183 108.800 0.089 0.000 2.391 268 G HA2 0.262 4.222 3.960 -0.000 0.000 0.234 268 G HA3 0.262 4.222 3.960 -0.000 0.000 0.234 268 G C 0.060 174.991 174.900 0.051 0.000 1.284 268 G CA -0.615 44.525 45.100 0.066 0.000 0.873 268 G HN 0.773 nan 8.290 nan 0.000 0.549 269 R N 0.522 121.049 120.500 0.045 0.000 2.560 269 R HA 0.365 4.705 4.340 -0.000 0.000 0.270 269 R C 0.124 176.432 176.300 0.013 0.000 1.074 269 R CA -0.449 55.670 56.100 0.033 0.000 1.140 269 R CB 0.962 31.286 30.300 0.040 0.000 1.073 269 R HN 0.528 nan 8.270 nan 0.000 0.527 270 K N 0.879 121.278 120.400 -0.002 0.000 2.323 270 K HA 0.380 4.700 4.320 -0.000 0.000 0.259 270 K C -0.997 175.598 176.600 -0.008 0.000 0.947 270 K CA -0.444 55.835 56.287 -0.014 0.000 0.819 270 K CB 1.729 34.204 32.500 -0.042 0.000 1.109 270 K HN 0.696 nan 8.250 nan 0.000 0.429 271 A N 3.808 126.625 122.820 -0.006 0.000 2.477 271 A HA 0.120 4.440 4.320 -0.000 0.000 0.246 271 A C -0.250 177.329 177.584 -0.008 0.000 1.078 271 A CA -0.332 51.702 52.037 -0.006 0.000 0.770 271 A CB 0.058 19.050 19.000 -0.013 0.000 1.011 271 A HN 0.845 nan 8.150 nan 0.000 0.494 272 N N 2.327 121.028 118.700 0.002 0.000 3.178 272 N HA 0.154 4.894 4.740 -0.000 0.000 0.300 272 N C 0.778 176.297 175.510 0.015 0.000 1.242 272 N CA 0.464 53.519 53.050 0.008 0.000 1.192 272 N CB 0.601 39.104 38.487 0.028 0.000 1.463 272 N HN 0.625 nan 8.380 nan 0.000 0.539 273 V N -2.527 117.388 119.914 0.001 0.000 3.477 273 V HA 0.149 4.269 4.120 -0.000 0.000 0.297 273 V C 1.140 177.231 176.094 -0.004 0.000 1.433 273 V CA -0.020 62.282 62.300 0.003 0.000 1.052 273 V CB 0.372 32.184 31.823 -0.018 0.000 0.895 273 V HN 0.152 nan 8.190 nan 0.000 0.438 274 D N 0.885 121.278 120.400 -0.012 0.000 2.346 274 D HA 0.001 4.641 4.640 -0.000 0.000 0.206 274 D C 1.263 177.551 176.300 -0.018 0.000 1.001 274 D CA 0.363 54.351 54.000 -0.021 0.000 0.871 274 D CB 0.233 41.014 40.800 -0.032 0.000 0.943 274 D HN 0.440 nan 8.370 nan 0.000 0.518 275 K N -0.202 120.190 120.400 -0.013 0.000 2.699 275 K HA 0.259 4.579 4.320 -0.000 0.000 0.210 275 K C 0.309 176.922 176.600 0.022 0.000 1.076 275 K CA -0.120 56.157 56.287 -0.017 0.000 1.109 275 K CB 0.589 33.053 32.500 -0.059 0.000 0.862 275 K HN -0.074 nan 8.250 nan 0.000 0.470 276 L N -0.561 120.699 121.223 0.061 0.000 2.693 276 L HA 0.294 4.634 4.340 -0.000 0.000 0.235 276 L C 0.978 177.973 176.870 0.209 0.000 1.127 276 L CA 0.387 55.318 54.840 0.150 0.000 0.914 276 L CB 0.353 42.533 42.059 0.203 0.000 1.193 276 L HN 0.396 nan 8.230 nan 0.000 0.502 277 G N -0.156 108.708 108.800 0.107 0.000 2.198 277 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 277 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 277 G C 1.130 176.057 174.900 0.045 0.000 1.025 277 G CA 0.566 45.723 45.100 0.094 0.000 0.769 277 G HN 0.343 nan 8.290 nan 0.000 0.507 278 L N 0.364 121.565 121.223 -0.038 0.000 2.349 278 L HA -0.089 4.251 4.340 -0.000 0.000 0.220 278 L C 2.811 179.590 176.870 -0.152 0.000 1.130 278 L CA 1.767 56.487 54.840 -0.199 0.000 0.791 278 L CB -0.329 41.614 42.059 -0.194 0.000 0.918 278 L HN 0.653 nan 8.230 nan 0.000 0.444 279 E N -0.306 119.848 120.200 -0.075 0.000 2.478 279 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 279 E C 0.579 177.152 176.600 -0.045 0.000 1.046 279 E CA 0.668 57.034 56.400 -0.057 0.000 0.870 279 E CB -0.358 29.323 29.700 -0.033 0.000 0.818 279 E HN 0.507 nan 8.360 nan 0.000 0.527 280 N N 1.398 120.077 118.700 -0.036 0.000 2.276 280 N HA 0.033 4.773 4.740 -0.000 0.000 0.212 280 N C 0.028 175.516 175.510 -0.036 0.000 1.127 280 N CA 0.609 53.654 53.050 -0.009 0.000 0.834 280 N CB 0.797 39.311 38.487 0.045 0.000 1.014 280 N HN 0.404 nan 8.380 nan 0.000 0.491 281 T N -3.663 110.824 114.554 -0.111 0.000 2.864 281 T HA 0.333 4.683 4.350 -0.000 0.000 0.289 281 T C 0.816 175.437 174.700 -0.131 0.000 1.082 281 T CA -0.686 61.322 62.100 -0.153 0.000 1.009 281 T CB 1.478 70.145 68.868 -0.335 0.000 1.234 281 T HN -0.056 nan 8.240 nan 0.000 0.526 282 S N -0.353 115.272 115.700 -0.125 0.000 2.597 282 S HA 0.280 4.750 4.470 -0.000 0.000 0.224 282 S C 0.620 175.148 174.600 -0.121 0.000 0.955 282 S CA -0.637 57.505 58.200 -0.098 0.000 0.933 282 S CB -0.988 62.172 63.200 -0.067 0.000 0.788 282 S HN 0.670 nan 8.310 nan 0.000 0.488 283 I N 3.045 123.511 120.570 -0.174 0.000 2.845 283 I HA -0.039 4.131 4.170 -0.000 0.000 0.290 283 I C 0.448 176.493 176.117 -0.119 0.000 1.202 283 I CA 0.501 61.695 61.300 -0.176 0.000 1.406 283 I CB 0.188 38.040 38.000 -0.247 0.000 1.383 283 I HN 0.325 nan 8.210 nan 0.000 0.549 284 E N 6.135 126.281 120.200 -0.090 0.000 2.290 284 E HA 0.268 4.618 4.350 -0.000 0.000 0.277 284 E C -0.793 175.780 176.600 -0.046 0.000 1.035 284 E CA -0.620 55.744 56.400 -0.061 0.000 0.873 284 E CB 0.902 30.573 29.700 -0.049 0.000 1.029 284 E HN 0.260 nan 8.360 nan 0.000 0.419 285 L N 3.140 124.340 121.223 -0.039 0.000 2.334 285 L HA 0.266 4.606 4.340 -0.000 0.000 0.270 285 L C 0.286 177.148 176.870 -0.014 0.000 1.018 285 L CA -0.609 54.216 54.840 -0.024 0.000 0.811 285 L CB 1.025 43.065 42.059 -0.032 0.000 1.271 285 L HN 0.566 nan 8.230 nan 0.000 0.443 286 D N 0.432 120.832 120.400 -0.001 0.000 2.478 286 D HA 0.147 4.787 4.640 -0.000 0.000 0.274 286 D C 0.571 176.869 176.300 -0.004 0.000 1.234 286 D CA -0.345 53.654 54.000 -0.001 0.000 1.069 286 D CB 0.578 41.384 40.800 0.010 0.000 1.113 286 D HN 0.207 nan 8.370 nan 0.000 0.571 287 K N -0.562 119.837 120.400 -0.003 0.000 2.281 287 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 287 K C 1.101 177.700 176.600 -0.002 0.000 1.046 287 K CA 0.972 57.257 56.287 -0.004 0.000 0.938 287 K CB -0.125 32.374 32.500 -0.002 0.000 0.737 287 K HN 0.486 nan 8.250 nan 0.000 0.458 288 K N 0.598 120.999 120.400 0.002 0.000 2.410 288 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 288 K C -0.379 176.219 176.600 -0.003 0.000 1.023 288 K CA -0.152 56.136 56.287 0.002 0.000 1.149 288 K CB 0.095 32.601 32.500 0.010 0.000 0.859 288 K HN 0.038 nan 8.250 nan 0.000 0.514 289 N N 0.829 119.525 118.700 -0.007 0.000 2.714 289 N HA -0.157 4.583 4.740 -0.000 0.000 0.250 289 N C -1.180 174.322 175.510 -0.014 0.000 1.117 289 N CA 1.107 54.148 53.050 -0.015 0.000 0.719 289 N CB -1.497 36.977 38.487 -0.021 0.000 1.081 289 N HN 0.172 nan 8.380 nan 0.000 0.557 290 S N -0.144 115.557 115.700 0.001 0.000 2.508 290 S HA 0.562 5.032 4.470 -0.000 0.000 0.284 290 S C -2.437 172.176 174.600 0.022 0.000 1.192 290 S CA -1.390 56.816 58.200 0.010 0.000 1.070 290 S CB 1.957 65.177 63.200 0.033 0.000 1.004 290 S HN -0.067 nan 8.310 nan 0.000 0.493 291 P HA 0.104 nan 4.420 nan 0.000 0.264 291 P C -0.525 176.856 177.300 0.136 0.000 1.193 291 P CA -0.042 63.070 63.100 0.021 0.000 0.763 291 P CB 0.207 31.890 31.700 -0.029 0.000 0.810 292 L N 4.778 126.060 121.223 0.098 0.000 2.467 292 L HA 0.402 4.742 4.340 -0.000 0.000 0.270 292 L C 0.572 177.569 176.870 0.212 0.000 1.205 292 L CA 0.212 55.123 54.840 0.117 0.000 0.828 292 L CB -0.376 41.688 42.059 0.009 0.000 1.101 292 L HN 0.442 nan 8.230 nan 0.000 0.479 293 F N -1.135 118.790 119.950 -0.041 0.000 2.719 293 F HA 0.350 4.877 4.527 -0.000 0.000 0.309 293 F C -1.035 174.753 175.800 -0.020 0.000 1.138 293 F CA -1.324 56.654 58.000 -0.037 0.000 0.943 293 F CB 1.107 40.094 39.000 -0.021 0.000 1.304 293 F HN 0.317 nan 8.300 nan 0.000 0.445 294 D N 2.211 122.617 120.400 0.010 0.000 2.325 294 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 294 D C 0.629 176.911 176.300 -0.031 0.000 1.196 294 D CA 0.296 54.255 54.000 -0.068 0.000 0.866 294 D CB 1.400 42.215 40.800 0.023 0.000 1.101 294 D HN 0.832 nan 8.370 nan 0.000 0.476 295 E N 2.492 122.564 120.200 -0.213 0.000 2.267 295 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 295 E C 1.512 178.159 176.600 0.079 0.000 0.998 295 E CA 0.832 57.184 56.400 -0.080 0.000 0.830 295 E CB 0.361 29.972 29.700 -0.149 0.000 0.751 295 E HN 0.605 nan 8.360 nan 0.000 0.491 296 L N -0.481 120.774 121.223 0.052 0.000 2.316 296 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 296 L C 2.553 179.484 176.870 0.101 0.000 1.070 296 L CA 1.284 56.162 54.840 0.064 0.000 0.820 296 L CB -0.185 41.892 42.059 0.030 0.000 0.992 296 L HN 0.191 nan 8.230 nan 0.000 0.466 297 T N -3.714 110.920 114.554 0.133 0.000 3.022 297 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 297 T C 1.188 176.070 174.700 0.303 0.000 1.060 297 T CA -0.149 62.063 62.100 0.188 0.000 1.013 297 T CB 0.288 69.268 68.868 0.187 0.000 0.982 297 T HN 0.191 nan 8.240 nan 0.000 0.508 298 L N -0.556 120.855 121.223 0.313 0.000 4.696 298 L HA -0.201 4.139 4.340 -0.000 0.000 0.425 298 L C 0.060 177.148 176.870 0.363 0.000 1.115 298 L CA 0.278 55.353 54.840 0.391 0.000 0.996 298 L CB -2.145 40.091 42.059 0.295 0.000 2.077 298 L HN 0.464 nan 8.230 nan 0.000 0.792 299 Q N 0.137 120.071 119.800 0.222 0.000 2.352 299 Q HA 0.275 4.615 4.340 -0.000 0.000 0.260 299 Q C 0.705 176.686 176.000 -0.033 0.000 0.976 299 Q CA 0.328 56.061 55.803 -0.117 0.000 0.881 299 Q CB 1.334 29.985 28.738 -0.144 0.000 1.235 299 Q HN 0.050 nan 8.270 nan 0.000 0.419 300 T N 0.017 114.473 114.554 -0.163 0.000 2.770 300 T HA 0.011 4.361 4.350 -0.000 0.000 0.281 300 T C 1.502 176.123 174.700 -0.132 0.000 0.981 300 T CA 0.203 62.241 62.100 -0.103 0.000 0.955 300 T CB 0.703 69.461 68.868 -0.184 0.000 1.060 300 T HN 0.836 nan 8.240 nan 0.000 0.531 301 S N 0.151 115.788 115.700 -0.106 0.000 2.420 301 S HA -0.076 4.394 4.470 -0.000 0.000 0.237 301 S C 0.769 175.288 174.600 -0.136 0.000 1.023 301 S CA 0.757 58.896 58.200 -0.101 0.000 0.991 301 S CB -0.380 62.771 63.200 -0.082 0.000 0.792 301 S HN 0.392 nan 8.310 nan 0.000 0.488 302 V N 4.078 123.861 119.914 -0.218 0.000 2.368 302 V HA 0.192 4.312 4.120 -0.000 0.000 0.266 302 V C 0.968 176.835 176.094 -0.378 0.000 1.045 302 V CA -0.055 62.065 62.300 -0.300 0.000 0.899 302 V CB 0.999 32.562 31.823 -0.432 0.000 1.006 302 V HN 0.570 nan 8.190 nan 0.000 0.470 303 D N 3.044 123.330 120.400 -0.190 0.000 2.371 303 D HA -0.188 4.452 4.640 -0.000 0.000 0.221 303 D C 1.304 177.513 176.300 -0.152 0.000 0.986 303 D CA 0.971 54.903 54.000 -0.113 0.000 0.899 303 D CB -0.120 40.734 40.800 0.090 0.000 0.902 303 D HN 0.799 nan 8.370 nan 0.000 0.530 304 H N -0.663 118.236 119.070 -0.284 0.000 2.586 304 H HA 0.322 4.878 4.556 -0.000 0.000 0.273 304 H C -0.004 175.085 175.328 -0.399 0.000 0.997 304 H CA -0.441 55.312 56.048 -0.492 0.000 1.177 304 H CB 0.113 29.522 29.762 -0.588 0.000 1.471 304 H HN 0.118 nan 8.280 nan 0.000 0.538 305 I N 1.558 121.683 120.570 -0.741 0.000 2.406 305 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 305 I C -1.008 174.800 176.117 -0.515 0.000 0.999 305 I CA -0.829 60.227 61.300 -0.406 0.000 1.124 305 I CB 1.417 39.224 38.000 -0.322 0.000 1.289 305 I HN -0.112 nan 8.210 nan 0.000 0.441 306 F N 5.100 125.042 119.950 -0.014 0.000 2.575 306 F HA 0.684 5.211 4.527 -0.000 0.000 0.330 306 F C -0.117 175.666 175.800 -0.028 0.000 1.056 306 F CA -1.095 56.902 58.000 -0.004 0.000 0.964 306 F CB 1.892 40.902 39.000 0.016 0.000 1.258 306 F HN 0.044 nan 8.300 nan 0.000 0.484 307 V N 1.781 121.756 119.914 0.102 0.000 2.482 307 V HA 0.870 4.990 4.120 -0.000 0.000 0.295 307 V C -1.272 174.755 176.094 -0.112 0.000 1.026 307 V CA -0.321 61.946 62.300 -0.056 0.000 0.856 307 V CB 1.050 32.756 31.823 -0.195 0.000 1.001 307 V HN 0.947 nan 8.190 nan 0.000 0.424 308 A N 4.929 127.719 122.820 -0.051 0.000 2.401 308 A HA 1.032 5.352 4.320 -0.000 0.000 0.310 308 A C 0.475 178.032 177.584 -0.045 0.000 1.075 308 A CA 0.195 52.207 52.037 -0.042 0.000 0.746 308 A CB 1.477 20.480 19.000 0.004 0.000 1.277 308 A HN 2.581 nan 8.150 nan 0.000 0.425 309 G N 1.293 110.067 108.800 -0.043 0.000 2.527 309 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.227 309 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.227 309 G C 0.196 175.072 174.900 -0.040 0.000 1.291 309 G CA 0.546 45.631 45.100 -0.025 0.000 0.904 309 G HN 0.710 nan 8.290 nan 0.000 0.577 310 D N 0.643 121.033 120.400 -0.017 0.000 2.309 310 D HA 0.200 4.840 4.640 -0.000 0.000 0.212 310 D C 2.645 178.926 176.300 -0.032 0.000 0.968 310 D CA 1.948 55.940 54.000 -0.013 0.000 0.882 310 D CB -0.507 40.298 40.800 0.009 0.000 0.918 310 D HN 0.899 nan 8.370 nan 0.000 0.503 311 A N 1.373 124.168 122.820 -0.042 0.000 2.019 311 A HA -0.213 4.106 4.320 -0.000 0.000 0.219 311 A C 1.714 179.227 177.584 -0.118 0.000 1.164 311 A CA 1.640 53.645 52.037 -0.055 0.000 0.644 311 A CB -0.577 18.402 19.000 -0.035 0.000 0.805 311 A HN 0.383 nan 8.150 nan 0.000 0.449 312 N N -1.518 117.061 118.700 -0.203 0.000 2.398 312 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 312 N C 0.344 175.764 175.510 -0.151 0.000 1.122 312 N CA 0.762 53.586 53.050 -0.376 0.000 0.866 312 N CB -0.602 37.310 38.487 -0.957 0.000 0.970 312 N HN 0.332 nan 8.380 nan 0.000 0.462 313 N N -1.633 117.036 118.700 -0.051 0.000 2.753 313 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 313 N C -1.366 174.185 175.510 0.068 0.000 1.097 313 N CA 1.484 54.546 53.050 0.020 0.000 0.786 313 N CB -1.522 36.988 38.487 0.037 0.000 1.137 313 N HN 0.491 nan 8.380 nan 0.000 0.566 314 T N 0.042 114.642 114.554 0.078 0.000 2.893 314 T HA 0.552 4.902 4.350 -0.000 0.000 0.291 314 T C 0.338 175.080 174.700 0.069 0.000 1.028 314 T CA -0.546 61.630 62.100 0.127 0.000 0.995 314 T CB 1.702 70.753 68.868 0.305 0.000 1.051 314 T HN 0.223 nan 8.240 nan 0.000 0.470 315 L N 1.911 123.165 121.223 0.052 0.000 3.895 315 L HA -0.163 4.177 4.340 -0.000 0.000 0.511 315 L C 0.787 177.653 176.870 -0.007 0.000 1.222 315 L CA 0.280 55.127 54.840 0.012 0.000 0.739 315 L CB -1.574 40.483 42.059 -0.004 0.000 1.425 315 L HN 0.943 nan 8.230 nan 0.000 0.817 316 T N -1.294 113.268 114.554 0.013 0.000 3.855 316 T HA 0.576 4.926 4.350 -0.000 0.000 0.306 316 T C -0.041 174.673 174.700 0.023 0.000 1.575 316 T CA -0.726 61.383 62.100 0.016 0.000 1.214 316 T CB 0.340 69.225 68.868 0.028 0.000 1.262 316 T HN 0.137 nan 8.240 nan 0.000 0.883 317 L N 1.674 122.897 121.223 0.000 0.000 2.350 317 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 317 L C 1.040 177.919 176.870 0.016 0.000 1.015 317 L CA -1.268 53.591 54.840 0.031 0.000 0.821 317 L CB 1.509 43.586 42.059 0.031 0.000 1.370 317 L HN 0.318 nan 8.230 nan 0.000 0.416 318 L N 1.762 123.040 121.223 0.091 0.000 2.027 318 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 318 L C 2.597 179.523 176.870 0.093 0.000 1.074 318 L CA 1.672 56.565 54.840 0.088 0.000 0.745 318 L CB -0.519 41.602 42.059 0.104 0.000 0.898 318 L HN 0.883 nan 8.230 nan 0.000 0.433 319 H N -1.579 117.529 119.070 0.064 0.000 2.457 319 H HA -0.086 4.470 4.556 -0.000 0.000 0.294 319 H C 1.534 176.897 175.328 0.057 0.000 1.064 319 H CA 1.339 57.426 56.048 0.066 0.000 1.330 319 H CB -0.294 29.518 29.762 0.083 0.000 1.395 319 H HN 0.469 nan 8.280 nan 0.000 0.541 320 E N 1.287 121.196 120.200 -0.486 0.000 2.107 320 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 320 E C 2.547 179.084 176.600 -0.106 0.000 0.982 320 E CA 0.912 57.121 56.400 -0.319 0.000 0.809 320 E CB -0.267 29.238 29.700 -0.325 0.000 0.756 320 E HN 0.591 nan 8.360 nan 0.000 0.459 321 A N 1.851 124.635 122.820 -0.060 0.000 1.908 321 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 321 A C 2.449 180.040 177.584 0.012 0.000 1.181 321 A CA 2.120 54.151 52.037 -0.010 0.000 0.627 321 A CB -0.585 18.422 19.000 0.011 0.000 0.818 321 A HN 0.270 nan 8.150 nan 0.000 0.445 322 A N -0.045 122.793 122.820 0.029 0.000 1.902 322 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 322 A C 1.780 179.387 177.584 0.039 0.000 1.181 322 A CA 1.934 54.001 52.037 0.050 0.000 0.623 322 A CB -0.604 18.443 19.000 0.077 0.000 0.818 322 A HN 0.458 nan 8.150 nan 0.000 0.443 323 D N 0.182 120.598 120.400 0.026 0.000 2.117 323 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 323 D C 1.380 177.689 176.300 0.016 0.000 0.987 323 D CA 1.395 55.408 54.000 0.022 0.000 0.829 323 D CB -0.475 40.335 40.800 0.017 0.000 0.961 323 D HN 0.365 nan 8.370 nan 0.000 0.460 324 D N -0.044 120.362 120.400 0.009 0.000 2.133 324 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 324 D C 2.140 178.444 176.300 0.008 0.000 0.997 324 D CA 1.462 55.470 54.000 0.013 0.000 0.840 324 D CB -0.657 40.144 40.800 0.002 0.000 0.947 324 D HN 0.285 nan 8.370 nan 0.000 0.452 325 G N 0.354 109.162 108.800 0.013 0.000 2.421 325 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 325 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 325 G C 1.701 176.600 174.900 -0.001 0.000 1.171 325 G CA 1.137 46.245 45.100 0.014 0.000 0.775 325 G HN 0.207 nan 8.290 nan 0.000 0.543 326 K N 0.294 120.699 120.400 0.008 0.000 2.032 326 K HA -0.042 4.278 4.320 -0.000 0.000 0.209 326 K C 2.587 179.173 176.600 -0.022 0.000 1.048 326 K CA 1.366 57.654 56.287 0.002 0.000 0.927 326 K CB -0.774 31.736 32.500 0.017 0.000 0.712 326 K HN 0.164 nan 8.250 nan 0.000 0.441 327 V N 0.751 120.655 119.914 -0.017 0.000 2.255 327 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 327 V C 2.356 178.385 176.094 -0.108 0.000 1.051 327 V CA 2.204 64.488 62.300 -0.027 0.000 1.018 327 V CB -0.984 30.852 31.823 0.021 0.000 0.641 327 V HN 0.510 nan 8.190 nan 0.000 0.445 328 A N 0.236 122.982 122.820 -0.123 0.000 1.898 328 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 328 A C 2.394 179.729 177.584 -0.416 0.000 1.181 328 A CA 1.832 53.689 52.037 -0.301 0.000 0.620 328 A CB -1.191 17.735 19.000 -0.124 0.000 0.819 328 A HN 0.538 nan 8.150 nan 0.000 0.442 329 G N -0.973 107.702 108.800 -0.208 0.000 2.421 329 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 329 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 329 G C 1.586 176.379 174.900 -0.177 0.000 1.171 329 G CA 1.649 46.651 45.100 -0.163 0.000 0.775 329 G HN 0.415 nan 8.290 nan 0.000 0.543 330 T N 1.504 115.969 114.554 -0.149 0.000 2.652 330 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 330 T C 2.390 176.889 174.700 -0.335 0.000 1.039 330 T CA 1.423 63.407 62.100 -0.192 0.000 1.153 330 T CB -0.279 68.541 68.868 -0.080 0.000 0.863 330 T HN 0.187 nan 8.240 nan 0.000 0.428 331 N N 1.315 119.835 118.700 -0.301 0.000 2.106 331 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 331 N C 2.146 177.486 175.510 -0.283 0.000 1.029 331 N CA 1.328 54.226 53.050 -0.254 0.000 0.848 331 N CB -0.707 37.677 38.487 -0.171 0.000 1.007 331 N HN 0.414 nan 8.380 nan 0.000 0.423 332 A N 0.554 122.981 122.820 -0.656 0.000 1.908 332 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 332 A C 2.361 179.893 177.584 -0.087 0.000 1.181 332 A CA 2.004 53.843 52.037 -0.331 0.000 0.627 332 A CB -1.210 17.560 19.000 -0.383 0.000 0.818 332 A HN 0.368 nan 8.150 nan 0.000 0.445 333 G N -0.753 107.948 108.800 -0.165 0.000 2.421 333 G HA2 0.051 4.011 3.960 -0.000 0.000 0.216 333 G HA3 0.051 4.011 3.960 -0.000 0.000 0.216 333 G C 1.578 176.419 174.900 -0.099 0.000 1.171 333 G CA 1.259 46.301 45.100 -0.097 0.000 0.775 333 G HN 0.886 nan 8.290 nan 0.000 0.543 334 A N -0.901 121.746 122.820 -0.288 0.000 2.218 334 A HA 0.364 4.684 4.320 -0.000 0.000 0.209 334 A C 0.858 178.444 177.584 0.004 0.000 1.168 334 A CA -0.580 51.343 52.037 -0.191 0.000 0.804 334 A CB -0.445 18.339 19.000 -0.359 0.000 0.834 334 A HN 0.403 nan 8.150 nan 0.000 0.482 335 Y N 1.910 122.192 120.300 -0.030 0.000 2.969 335 Y HA 0.014 4.564 4.550 -0.000 0.000 0.339 335 Y C -1.205 174.726 175.900 0.051 0.000 1.272 335 Y CA -0.324 57.816 58.100 0.067 0.000 1.577 335 Y CB 0.773 39.333 38.460 0.166 0.000 1.234 335 Y HN 0.182 nan 8.280 nan 0.000 0.590 336 P HA 0.026 nan 4.420 nan 0.000 0.257 336 P C -0.633 176.456 177.300 -0.352 0.000 1.281 336 P CA 0.274 62.860 63.100 -0.858 0.000 0.826 336 P CB 0.141 31.428 31.700 -0.689 0.000 1.237 337 V N 3.018 122.833 119.914 -0.165 0.000 2.415 337 V HA 0.091 4.211 4.120 -0.000 0.000 0.267 337 V C 0.568 176.631 176.094 -0.052 0.000 1.042 337 V CA 0.284 62.532 62.300 -0.087 0.000 1.000 337 V CB 0.213 32.003 31.823 -0.054 0.000 1.015 337 V HN 0.025 nan 8.190 nan 0.000 0.478 338 I N 4.312 124.866 120.570 -0.027 0.000 2.509 338 I HA 0.776 4.946 4.170 -0.000 0.000 0.293 338 I C 0.262 176.392 176.117 0.021 0.000 1.020 338 I CA -0.460 60.860 61.300 0.032 0.000 1.088 338 I CB 1.710 39.757 38.000 0.079 0.000 1.267 338 I HN 0.618 nan 8.210 nan 0.000 0.430 339 A N 5.948 128.784 122.820 0.027 0.000 2.386 339 A HA 0.729 5.049 4.320 -0.000 0.000 0.308 339 A C -0.706 176.900 177.584 0.037 0.000 1.128 339 A CA -0.654 51.395 52.037 0.021 0.000 0.789 339 A CB 1.558 20.562 19.000 0.006 0.000 1.325 339 A HN 0.695 nan 8.150 nan 0.000 0.437 340 Q N 0.640 120.457 119.800 0.029 0.000 2.278 340 Q HA 0.466 4.806 4.340 -0.000 0.000 0.257 340 Q C 0.339 176.355 176.000 0.028 0.000 0.928 340 Q CA -0.475 55.348 55.803 0.033 0.000 0.932 340 Q CB 1.665 30.417 28.738 0.022 0.000 1.221 340 Q HN 0.872 nan 8.270 nan 0.000 0.434 341 G N 1.943 110.765 108.800 0.036 0.000 2.365 341 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.249 341 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.249 341 G C -0.433 174.480 174.900 0.022 0.000 1.288 341 G CA -0.164 44.954 45.100 0.030 0.000 0.887 341 G HN 0.590 nan 8.290 nan 0.000 0.524 342 Q N 2.228 122.037 119.800 0.015 0.000 2.465 342 Q HA 0.187 4.527 4.340 -0.000 0.000 0.237 342 Q C 0.156 176.163 176.000 0.011 0.000 1.051 342 Q CA -0.891 54.917 55.803 0.009 0.000 0.874 342 Q CB 0.343 29.083 28.738 0.003 0.000 1.207 342 Q HN 0.397 nan 8.270 nan 0.000 0.508 343 R N 2.280 122.789 120.500 0.015 0.000 2.734 343 R HA 0.166 4.506 4.340 -0.000 0.000 0.266 343 R C 0.023 176.335 176.300 0.021 0.000 1.044 343 R CA 0.120 56.232 56.100 0.020 0.000 1.128 343 R CB 0.132 30.445 30.300 0.021 0.000 1.010 343 R HN 0.625 nan 8.270 nan 0.000 0.461 344 R N 0.710 121.232 120.500 0.036 0.000 2.641 344 R HA 0.243 4.583 4.340 -0.000 0.000 0.269 344 R C 0.154 176.489 176.300 0.058 0.000 1.074 344 R CA -0.272 55.854 56.100 0.043 0.000 1.133 344 R CB 0.431 30.781 30.300 0.084 0.000 1.029 344 R HN 0.673 nan 8.270 nan 0.000 0.488 345 A N 4.068 126.921 122.820 0.054 0.000 2.567 345 A HA 0.099 4.419 4.320 -0.000 0.000 0.240 345 A C -1.914 175.728 177.584 0.098 0.000 1.053 345 A CA -0.818 51.260 52.037 0.069 0.000 0.755 345 A CB -0.482 18.572 19.000 0.090 0.000 0.978 345 A HN 0.398 nan 8.150 nan 0.000 0.507 346 P HA 0.273 nan 4.420 nan 0.000 0.265 346 P C -0.786 176.575 177.300 0.102 0.000 1.193 346 P CA 0.300 63.452 63.100 0.087 0.000 0.765 346 P CB 0.461 32.188 31.700 0.045 0.000 0.823 347 L N 2.690 123.995 121.223 0.136 0.000 2.493 347 L HA 0.706 5.046 4.340 -0.000 0.000 0.265 347 L C -1.086 175.848 176.870 0.105 0.000 0.954 347 L CA -0.300 54.586 54.840 0.077 0.000 0.844 347 L CB 2.163 44.208 42.059 -0.023 0.000 1.302 347 L HN 0.316 nan 8.230 nan 0.000 0.405 348 S N 3.948 119.672 115.700 0.040 0.000 2.546 348 S HA 0.940 5.410 4.470 -0.000 0.000 0.272 348 S C -1.836 172.737 174.600 -0.045 0.000 1.140 348 S CA -0.377 57.844 58.200 0.035 0.000 0.920 348 S CB 1.613 64.842 63.200 0.049 0.000 1.083 348 S HN 0.615 nan 8.310 nan 0.000 0.476 349 V N 3.839 123.685 119.914 -0.114 0.000 2.760 349 V HA 0.642 4.762 4.120 -0.000 0.000 0.309 349 V C -0.918 174.951 176.094 -0.376 0.000 1.077 349 V CA -0.689 61.419 62.300 -0.321 0.000 0.910 349 V CB 2.072 33.547 31.823 -0.580 0.000 1.008 349 V HN 0.795 nan 8.190 nan 0.000 0.424 350 V N 4.029 123.744 119.914 -0.331 0.000 2.444 350 V HA 0.450 4.570 4.120 -0.000 0.000 0.294 350 V C -0.516 175.456 176.094 -0.203 0.000 1.022 350 V CA -0.295 61.907 62.300 -0.163 0.000 0.850 350 V CB 1.582 33.418 31.823 0.020 0.000 0.992 350 V HN 0.773 nan 8.190 nan 0.000 0.426 351 F N 2.840 122.821 119.950 0.053 0.000 2.949 351 F HA 0.197 4.724 4.527 -0.000 0.000 0.291 351 F C 1.625 177.453 175.800 0.047 0.000 1.214 351 F CA -0.362 57.662 58.000 0.039 0.000 1.381 351 F CB -0.194 38.815 39.000 0.015 0.000 1.066 351 F HN 0.614 nan 8.300 nan 0.000 0.520 352 T N -2.857 111.813 114.554 0.192 0.000 2.793 352 T HA 0.291 4.641 4.350 -0.000 0.000 0.299 352 T C -0.177 174.659 174.700 0.227 0.000 1.038 352 T CA -0.754 61.465 62.100 0.198 0.000 0.948 352 T CB 1.579 70.618 68.868 0.285 0.000 1.231 352 T HN 0.317 nan 8.240 nan 0.000 0.538 353 E N 0.910 121.277 120.200 0.278 0.000 2.241 353 E HA 0.422 4.771 4.350 -0.000 0.000 0.263 353 E C -2.818 173.921 176.600 0.232 0.000 0.882 353 E CA -2.615 53.904 56.400 0.198 0.000 0.769 353 E CB 1.600 31.408 29.700 0.180 0.000 1.185 353 E HN 0.371 nan 8.360 nan 0.000 0.415 354 P HA -0.041 nan 4.420 nan 0.000 0.270 354 P C -0.753 176.442 177.300 -0.175 0.000 1.227 354 P CA 0.057 62.943 63.100 -0.357 0.000 0.788 354 P CB 0.512 31.605 31.700 -1.012 0.000 0.926 355 Q N -0.480 119.230 119.800 -0.149 0.000 2.318 355 Q HA 0.459 4.799 4.340 -0.000 0.000 0.222 355 Q C -0.754 175.280 176.000 0.056 0.000 1.003 355 Q CA -0.774 55.020 55.803 -0.015 0.000 0.936 355 Q CB 0.716 29.406 28.738 -0.079 0.000 1.204 355 Q HN 0.152 nan 8.270 nan 0.000 0.524 356 V N 0.394 120.366 119.914 0.097 0.000 2.604 356 V HA 0.769 4.889 4.120 -0.000 0.000 0.305 356 V C -0.841 175.259 176.094 0.010 0.000 1.043 356 V CA -0.651 61.739 62.300 0.151 0.000 0.888 356 V CB 1.526 33.472 31.823 0.205 0.000 0.995 356 V HN 0.830 nan 8.190 nan 0.000 0.429 357 A N 2.952 125.796 122.820 0.041 0.000 2.449 357 A HA 0.873 5.193 4.320 -0.000 0.000 0.302 357 A C -0.647 176.975 177.584 0.065 0.000 1.048 357 A CA -0.564 51.477 52.037 0.007 0.000 0.708 357 A CB 2.159 21.150 19.000 -0.014 0.000 1.274 357 A HN 0.748 nan 8.150 nan 0.000 0.410 358 S N 0.846 116.579 115.700 0.055 0.000 2.561 358 S HA 0.696 5.166 4.470 -0.000 0.000 0.303 358 S C -1.250 173.398 174.600 0.080 0.000 1.110 358 S CA -0.368 57.882 58.200 0.083 0.000 1.034 358 S CB 1.006 64.249 63.200 0.073 0.000 1.010 358 S HN 1.006 nan 8.310 nan 0.000 0.482 359 V N 4.557 124.536 119.914 0.109 0.000 2.709 359 V HA 0.829 4.949 4.120 -0.000 0.000 0.308 359 V C 1.025 177.154 176.094 0.060 0.000 1.062 359 V CA 0.365 62.735 62.300 0.117 0.000 0.901 359 V CB 0.874 32.824 31.823 0.212 0.000 1.003 359 V HN 1.367 nan 8.190 nan 0.000 0.425 360 G N 4.123 112.943 108.800 0.032 0.000 2.566 360 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.280 360 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.280 360 G C -0.212 174.653 174.900 -0.058 0.000 1.225 360 G CA 0.070 45.144 45.100 -0.045 0.000 0.966 360 G HN 0.821 nan 8.290 nan 0.000 0.560 361 L N 1.517 122.672 121.223 -0.113 0.000 2.453 361 L HA 0.423 4.763 4.340 -0.000 0.000 0.272 361 L C 1.615 178.419 176.870 -0.111 0.000 1.182 361 L CA 0.176 54.950 54.840 -0.110 0.000 0.858 361 L CB 0.944 42.919 42.059 -0.139 0.000 1.120 361 L HN 0.936 nan 8.230 nan 0.000 0.474 362 S N 2.402 118.045 115.700 -0.095 0.000 2.600 362 S HA 0.094 4.564 4.470 -0.000 0.000 0.265 362 S C 0.932 175.406 174.600 -0.211 0.000 1.325 362 S CA -0.725 57.418 58.200 -0.095 0.000 1.002 362 S CB 1.038 64.206 63.200 -0.054 0.000 0.921 362 S HN 0.571 nan 8.310 nan 0.000 0.554 363 L N 1.441 122.517 121.223 -0.245 0.000 2.013 363 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 363 L C 2.767 179.481 176.870 -0.261 0.000 1.073 363 L CA 1.864 56.470 54.840 -0.390 0.000 0.753 363 L CB -0.878 41.026 42.059 -0.258 0.000 0.890 363 L HN 0.791 nan 8.230 nan 0.000 0.432 364 R N -0.981 119.435 120.500 -0.139 0.000 2.105 364 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 364 R C 2.242 178.483 176.300 -0.099 0.000 1.135 364 R CA 1.791 57.837 56.100 -0.090 0.000 0.967 364 R CB -0.388 29.884 30.300 -0.047 0.000 0.861 364 R HN 0.604 nan 8.270 nan 0.000 0.442 365 Q N 0.156 119.886 119.800 -0.117 0.000 2.172 365 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 365 Q C 2.093 178.015 176.000 -0.130 0.000 0.964 365 Q CA 0.948 56.687 55.803 -0.108 0.000 0.855 365 Q CB 0.073 28.751 28.738 -0.099 0.000 0.918 365 Q HN 0.374 nan 8.270 nan 0.000 0.444 366 I N 0.577 121.025 120.570 -0.204 0.000 2.233 366 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 366 I C 1.908 177.983 176.117 -0.070 0.000 1.093 366 I CA 1.170 62.336 61.300 -0.224 0.000 1.380 366 I CB -0.130 37.533 38.000 -0.562 0.000 1.067 366 I HN 0.192 nan 8.210 nan 0.000 0.413 367 E N 0.790 120.922 120.200 -0.113 0.000 2.085 367 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 367 E C 1.719 178.365 176.600 0.077 0.000 0.994 367 E CA 1.406 57.838 56.400 0.054 0.000 0.801 367 E CB -0.123 29.593 29.700 0.027 0.000 0.743 367 E HN 0.418 nan 8.360 nan 0.000 0.453 368 D N 0.887 121.289 120.400 0.004 0.000 2.116 368 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 368 D C 1.831 178.115 176.300 -0.026 0.000 0.998 368 D CA 0.673 54.666 54.000 -0.012 0.000 0.836 368 D CB -0.287 40.487 40.800 -0.043 0.000 0.951 368 D HN 0.086 nan 8.370 nan 0.000 0.449 369 L N -0.182 120.999 121.223 -0.071 0.000 2.191 369 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 369 L C 1.112 177.798 176.870 -0.305 0.000 1.103 369 L CA 1.676 56.387 54.840 -0.215 0.000 0.769 369 L CB -0.526 41.341 42.059 -0.320 0.000 0.908 369 L HN 0.142 nan 8.230 nan 0.000 0.438 370 Y N -1.166 119.144 120.300 0.017 0.000 2.458 370 Y HA 0.256 4.806 4.550 -0.000 0.000 0.256 370 Y C 2.294 178.217 175.900 0.038 0.000 1.159 370 Y CA 0.388 58.519 58.100 0.051 0.000 1.261 370 Y CB -0.198 38.337 38.460 0.125 0.000 1.119 370 Y HN 0.168 nan 8.280 nan 0.000 0.524 371 A N 0.642 123.540 122.820 0.131 0.000 1.972 371 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 371 A C 1.862 179.477 177.584 0.052 0.000 1.169 371 A CA 2.034 54.120 52.037 0.082 0.000 0.635 371 A CB -0.505 18.523 19.000 0.047 0.000 0.810 371 A HN 0.554 nan 8.150 nan 0.000 0.446 372 D N -0.738 119.680 120.400 0.030 0.000 2.348 372 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 372 D C 0.727 177.042 176.300 0.025 0.000 0.998 372 D CA 0.173 54.182 54.000 0.014 0.000 0.873 372 D CB -0.158 40.636 40.800 -0.011 0.000 0.925 372 D HN 0.589 nan 8.370 nan 0.000 0.524 373 Q N 0.375 120.207 119.800 0.053 0.000 2.199 373 Q HA 0.140 4.480 4.340 -0.000 0.000 0.232 373 Q C 0.111 176.156 176.000 0.074 0.000 0.969 373 Q CA -0.702 55.142 55.803 0.069 0.000 0.925 373 Q CB 1.222 30.032 28.738 0.120 0.000 1.198 373 Q HN -0.153 nan 8.270 nan 0.000 0.494 374 D N -0.240 120.198 120.400 0.064 0.000 2.312 374 D HA 0.078 4.718 4.640 -0.000 0.000 0.211 374 D C -0.311 176.015 176.300 0.045 0.000 0.964 374 D CA 0.708 54.735 54.000 0.046 0.000 0.877 374 D CB 0.322 41.143 40.800 0.034 0.000 0.924 374 D HN 0.462 nan 8.370 nan 0.000 0.515 375 A N -0.627 122.233 122.820 0.067 0.000 2.606 375 A HA 0.706 5.026 4.320 -0.000 0.000 0.293 375 A C -1.092 176.525 177.584 0.056 0.000 1.082 375 A CA -0.355 51.702 52.037 0.033 0.000 0.685 375 A CB 1.311 20.309 19.000 -0.004 0.000 1.284 375 A HN -0.056 nan 8.150 nan 0.000 0.408 376 A N 1.154 123.950 122.820 -0.041 0.000 3.056 376 A HA 0.376 4.696 4.320 -0.000 0.000 0.274 376 A C 0.311 177.610 177.584 -0.474 0.000 1.661 376 A CA -0.137 51.818 52.037 -0.136 0.000 1.363 376 A CB -1.301 17.635 19.000 -0.106 0.000 1.139 376 A HN 0.702 nan 8.150 nan 0.000 0.598 377 N N 1.516 119.935 118.700 -0.469 0.000 2.906 377 N HA 0.174 4.914 4.740 -0.000 0.000 0.282 377 N C -0.538 174.691 175.510 -0.469 0.000 1.293 377 N CA 0.022 52.867 53.050 -0.341 0.000 1.059 377 N CB -0.556 37.935 38.487 0.006 0.000 1.388 377 N HN 0.671 nan 8.380 nan 0.000 0.533 378 Y N -1.826 118.092 120.300 -0.636 0.000 2.549 378 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 378 Y C -0.110 175.718 175.900 -0.121 0.000 1.053 378 Y CA -1.586 56.313 58.100 -0.334 0.000 1.105 378 Y CB 0.536 38.792 38.460 -0.340 0.000 1.258 378 Y HN -0.107 nan 8.280 nan 0.000 0.478 379 V N -0.058 119.942 119.914 0.143 0.000 3.019 379 V HA 0.889 5.009 4.120 -0.000 0.000 0.317 379 V C -1.105 175.149 176.094 0.267 0.000 1.094 379 V CA -1.220 61.135 62.300 0.092 0.000 1.000 379 V CB 1.482 33.329 31.823 0.041 0.000 1.060 379 V HN 0.792 nan 8.190 nan 0.000 0.443 380 V N 1.571 121.582 119.914 0.163 0.000 2.487 380 V HA 0.833 4.953 4.120 -0.000 0.000 0.298 380 V C 0.694 176.787 176.094 -0.002 0.000 1.028 380 V CA 0.168 62.528 62.300 0.101 0.000 0.860 380 V CB 1.223 33.121 31.823 0.124 0.000 0.991 380 V HN 1.321 nan 8.190 nan 0.000 0.427 381 G N 3.024 111.793 108.800 -0.051 0.000 2.379 381 G HA2 0.647 4.607 3.960 -0.000 0.000 0.327 381 G HA3 0.647 4.607 3.960 -0.000 0.000 0.327 381 G C -1.082 173.756 174.900 -0.104 0.000 1.145 381 G CA -0.365 44.700 45.100 -0.058 0.000 0.905 381 G HN 0.629 nan 8.290 nan 0.000 0.466 382 Q N 0.405 120.142 119.800 -0.104 0.000 2.423 382 Q HA 0.684 5.024 4.340 -0.000 0.000 0.278 382 Q C -1.834 174.069 176.000 -0.162 0.000 1.097 382 Q CA -0.809 54.917 55.803 -0.129 0.000 0.809 382 Q CB 3.230 31.903 28.738 -0.108 0.000 1.391 382 Q HN 0.538 nan 8.270 nan 0.000 0.428 383 V N 1.344 121.124 119.914 -0.224 0.000 2.971 383 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 383 V C -1.377 174.483 176.094 -0.389 0.000 1.130 383 V CA -0.342 61.765 62.300 -0.322 0.000 0.964 383 V CB 2.440 34.000 31.823 -0.439 0.000 1.029 383 V HN 0.812 nan 8.190 nan 0.000 0.427 384 S N 4.415 119.911 115.700 -0.340 0.000 2.480 384 S HA 0.508 4.978 4.470 -0.000 0.000 0.286 384 S C 0.272 174.667 174.600 -0.342 0.000 1.180 384 S CA -0.362 57.667 58.200 -0.286 0.000 1.075 384 S CB 0.799 63.905 63.200 -0.157 0.000 0.996 384 S HN 0.577 nan 8.310 nan 0.000 0.487 385 F N 2.452 122.363 119.950 -0.065 0.000 2.802 385 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 385 F C 2.056 177.854 175.800 -0.003 0.000 1.168 385 F CA 0.250 58.231 58.000 -0.031 0.000 1.433 385 F CB -0.128 38.850 39.000 -0.037 0.000 1.115 385 F HN 0.682 nan 8.300 nan 0.000 0.582 386 E N -0.078 120.194 120.200 0.120 0.000 2.153 386 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 386 E C 2.292 178.929 176.600 0.062 0.000 0.988 386 E CA 1.110 57.573 56.400 0.105 0.000 0.811 386 E CB -0.326 29.438 29.700 0.107 0.000 0.746 386 E HN 0.441 nan 8.360 nan 0.000 0.466 387 G N 0.095 108.909 108.800 0.024 0.000 3.277 387 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.243 387 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.243 387 G C 0.386 175.291 174.900 0.009 0.000 1.107 387 G CA -0.357 44.748 45.100 0.008 0.000 0.771 387 G HN -0.044 nan 8.290 nan 0.000 0.544 388 Q N 1.167 120.986 119.800 0.032 0.000 2.296 388 Q HA 0.260 4.600 4.340 -0.000 0.000 0.262 388 Q C 1.517 177.559 176.000 0.069 0.000 0.981 388 Q CA 0.220 56.051 55.803 0.047 0.000 0.905 388 Q CB 1.431 30.240 28.738 0.119 0.000 1.186 388 Q HN 0.153 nan 8.270 nan 0.000 0.399 389 G N 4.526 113.355 108.800 0.048 0.000 2.587 389 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 389 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 389 G C 1.231 176.148 174.900 0.029 0.000 1.240 389 G CA 1.142 46.263 45.100 0.035 0.000 0.794 389 G HN 0.648 nan 8.290 nan 0.000 0.580 390 R N 0.714 121.224 120.500 0.017 0.000 2.096 390 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 390 R C 2.801 179.129 176.300 0.048 0.000 1.127 390 R CA 1.942 58.049 56.100 0.013 0.000 0.968 390 R CB -0.817 29.484 30.300 0.001 0.000 0.861 390 R HN 0.303 nan 8.270 nan 0.000 0.440 391 S N 0.276 116.023 115.700 0.079 0.000 2.374 391 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 391 S C 1.867 176.511 174.600 0.073 0.000 1.037 391 S CA 1.611 59.860 58.200 0.082 0.000 1.024 391 S CB -0.373 62.915 63.200 0.147 0.000 0.861 391 S HN 0.413 nan 8.310 nan 0.000 0.456 392 R N 0.931 121.473 120.500 0.069 0.000 2.066 392 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 392 R C 0.873 177.205 176.300 0.054 0.000 1.131 392 R CA 0.674 56.804 56.100 0.051 0.000 0.955 392 R CB -0.469 29.855 30.300 0.040 0.000 0.851 392 R HN 0.200 nan 8.270 nan 0.000 0.432 396 K N 1.335 121.776 120.400 0.068 0.000 2.455 396 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 396 K C 0.521 177.143 176.600 0.036 0.000 1.027 396 K CA -0.433 55.881 56.287 0.046 0.000 1.113 396 K CB 0.345 32.856 32.500 0.019 0.000 0.850 396 K HN 0.342 nan 8.250 nan 0.000 0.503 397 N N 2.070 120.809 118.700 0.065 0.000 3.103 397 N HA 0.009 4.749 4.740 -0.000 0.000 0.305 397 N C -0.877 174.708 175.510 0.125 0.000 1.232 397 N CA 0.204 53.316 53.050 0.104 0.000 1.190 397 N CB 0.099 38.642 38.487 0.092 0.000 1.461 397 N HN -0.004 nan 8.380 nan 0.000 0.538 398 K N 0.251 120.722 120.400 0.118 0.000 2.464 398 K HA 0.701 5.021 4.320 -0.000 0.000 0.253 398 K C -0.285 176.420 176.600 0.174 0.000 0.933 398 K CA -0.747 55.654 56.287 0.190 0.000 0.801 398 K CB 2.373 34.950 32.500 0.129 0.000 1.271 398 K HN 0.524 nan 8.250 nan 0.000 0.430 399 G N 1.246 110.255 108.800 0.348 0.000 2.347 399 G HA2 0.119 4.079 3.960 -0.000 0.000 0.341 399 G HA3 0.119 4.079 3.960 -0.000 0.000 0.341 399 G C -2.043 172.919 174.900 0.104 0.000 1.287 399 G CA -1.104 44.138 45.100 0.235 0.000 0.984 399 G HN 0.395 nan 8.290 nan 0.000 0.526 400 L N -0.663 120.675 121.223 0.191 0.000 2.466 400 L HA 0.812 5.152 4.340 -0.000 0.000 0.258 400 L C -1.093 175.903 176.870 0.210 0.000 0.973 400 L CA -1.007 53.850 54.840 0.029 0.000 0.826 400 L CB 2.304 44.260 42.059 -0.172 0.000 1.372 400 L HN 0.865 nan 8.230 nan 0.000 0.409 401 L N 2.027 123.286 121.223 0.059 0.000 2.409 401 L HA 0.633 4.973 4.340 -0.000 0.000 0.272 401 L C -1.426 175.419 176.870 -0.041 0.000 0.980 401 L CA -0.087 54.811 54.840 0.096 0.000 0.826 401 L CB 1.794 43.963 42.059 0.184 0.000 1.268 401 L HN 0.429 nan 8.230 nan 0.000 0.407 402 N N 3.595 122.257 118.700 -0.064 0.000 2.372 402 N HA 0.601 5.341 4.740 -0.000 0.000 0.291 402 N C -1.323 173.995 175.510 -0.321 0.000 1.024 402 N CA -0.295 52.606 53.050 -0.247 0.000 0.873 402 N CB 2.557 40.836 38.487 -0.347 0.000 1.206 402 N HN 0.441 nan 8.380 nan 0.000 0.486 403 V N 3.251 122.982 119.914 -0.305 0.000 2.495 403 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 403 V C -1.166 174.814 176.094 -0.189 0.000 1.031 403 V CA -0.553 61.700 62.300 -0.080 0.000 0.871 403 V CB 0.852 32.718 31.823 0.072 0.000 0.988 403 V HN 0.493 nan 8.190 nan 0.000 0.432 404 Y N 3.006 123.439 120.300 0.222 0.000 2.377 404 Y HA 0.826 5.376 4.550 -0.000 0.000 0.339 404 Y C 0.328 176.319 175.900 0.152 0.000 1.011 404 Y CA -0.630 57.551 58.100 0.136 0.000 1.093 404 Y CB 2.086 40.541 38.460 -0.010 0.000 1.201 404 Y HN 0.717 nan 8.280 nan 0.000 0.455 405 A N 1.759 124.778 122.820 0.331 0.000 2.549 405 A HA 0.476 4.796 4.320 -0.000 0.000 0.297 405 A C -1.572 176.159 177.584 0.244 0.000 1.061 405 A CA -0.932 51.263 52.037 0.263 0.000 0.690 405 A CB 1.238 20.383 19.000 0.243 0.000 1.287 405 A HN 0.771 nan 8.150 nan 0.000 0.402 406 D N 0.290 120.826 120.400 0.226 0.000 2.424 406 D HA 0.212 4.852 4.640 -0.000 0.000 0.244 406 D C 1.203 177.594 176.300 0.151 0.000 1.134 406 D CA 0.000 54.140 54.000 0.234 0.000 0.881 406 D CB 0.730 41.676 40.800 0.244 0.000 1.191 406 D HN 0.511 nan 8.370 nan 0.000 0.445 407 R N 1.947 122.510 120.500 0.105 0.000 2.115 407 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 407 R C 1.334 177.668 176.300 0.057 0.000 1.111 407 R CA 1.411 57.544 56.100 0.054 0.000 0.976 407 R CB 0.068 30.367 30.300 -0.002 0.000 0.870 407 R HN 0.530 nan 8.270 nan 0.000 0.445 408 T N -0.594 114.005 114.554 0.076 0.000 2.894 408 T HA -0.073 4.277 4.350 -0.000 0.000 0.258 408 T C 1.767 176.504 174.700 0.063 0.000 1.043 408 T CA 1.466 63.604 62.100 0.063 0.000 1.141 408 T CB 0.030 68.940 68.868 0.070 0.000 0.873 408 T HN 0.418 nan 8.240 nan 0.000 0.449 409 S N 0.094 115.843 115.700 0.082 0.000 2.470 409 S HA 0.372 4.842 4.470 -0.000 0.000 0.222 409 S C 2.003 176.654 174.600 0.084 0.000 1.024 409 S CA 0.745 58.991 58.200 0.077 0.000 0.931 409 S CB -0.140 63.111 63.200 0.084 0.000 0.791 409 S HN 0.683 nan 8.310 nan 0.000 0.513 410 G N 1.607 110.468 108.800 0.101 0.000 2.179 410 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 410 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 410 G C -0.138 174.854 174.900 0.155 0.000 0.977 410 G CA 0.324 45.494 45.100 0.116 0.000 0.641 410 G HN 0.815 nan 8.290 nan 0.000 0.533 411 E N 0.231 120.521 120.200 0.150 0.000 2.585 411 E HA 0.187 4.537 4.350 -0.000 0.000 0.252 411 E C 0.061 176.795 176.600 0.224 0.000 0.981 411 E CA -0.771 55.730 56.400 0.167 0.000 0.943 411 E CB -0.052 29.722 29.700 0.123 0.000 0.923 411 E HN 0.334 nan 8.360 nan 0.000 0.486 412 F N 6.282 126.293 119.950 0.101 0.000 2.533 412 F HA 0.080 4.607 4.527 -0.000 0.000 0.378 412 F C 0.182 176.051 175.800 0.116 0.000 1.070 412 F CA -0.147 57.921 58.000 0.112 0.000 1.172 412 F CB 0.373 39.436 39.000 0.104 0.000 1.085 412 F HN 0.535 nan 8.300 nan 0.000 0.552 413 L N 4.985 125.989 121.223 -0.366 0.000 2.253 413 L HA 0.420 4.760 4.340 -0.000 0.000 0.205 413 L C 1.257 177.800 176.870 -0.545 0.000 1.078 413 L CA 0.522 55.167 54.840 -0.326 0.000 0.805 413 L CB -0.650 41.356 42.059 -0.088 0.000 0.963 413 L HN 0.830 nan 8.230 nan 0.000 0.459 414 G N -0.908 107.424 108.800 -0.780 0.000 2.315 414 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 414 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 414 G C -2.214 172.700 174.900 0.023 0.000 1.300 414 G CA 0.019 44.855 45.100 -0.441 0.000 0.843 414 G HN 0.178 nan 8.290 nan 0.000 0.527 415 A N -0.752 122.210 122.820 0.237 0.000 2.612 415 A HA 0.915 5.235 4.320 -0.000 0.000 0.293 415 A C -0.812 176.924 177.584 0.253 0.000 1.075 415 A CA -0.203 52.013 52.037 0.299 0.000 0.680 415 A CB 1.933 21.163 19.000 0.384 0.000 1.279 415 A HN 0.882 nan 8.150 nan 0.000 0.411 419 G N 4.696 113.215 108.800 -0.467 0.000 2.356 419 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 419 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 419 G C -3.575 170.996 174.900 -0.547 0.000 1.423 419 G CA -0.895 43.821 45.100 -0.640 0.000 0.806 419 G HN 0.270 nan 8.290 nan 0.000 0.527 420 P HA 0.397 nan 4.420 nan 0.000 0.271 420 P C 0.677 177.828 177.300 -0.249 0.000 1.218 420 P CA 1.354 64.269 63.100 -0.308 0.000 0.780 420 P CB 1.433 32.988 31.700 -0.240 0.000 0.901 421 A N 2.001 124.763 122.820 -0.096 0.000 2.798 421 A HA -0.217 4.103 4.320 -0.000 0.000 0.282 421 A C 1.710 179.268 177.584 -0.044 0.000 1.464 421 A CA 1.080 53.120 52.037 0.005 0.000 0.844 421 A CB -2.307 16.750 19.000 0.095 0.000 1.006 421 A HN 0.684 nan 8.150 nan 0.000 0.577 422 A N -0.037 122.713 122.820 -0.116 0.000 1.972 422 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 422 A C 1.844 179.380 177.584 -0.080 0.000 1.169 422 A CA 1.853 53.835 52.037 -0.092 0.000 0.635 422 A CB -0.523 18.418 19.000 -0.099 0.000 0.810 422 A HN 1.232 nan 8.150 nan 0.000 0.446 423 E N -0.965 119.144 120.200 -0.153 0.000 2.118 423 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 423 E C 1.707 178.292 176.600 -0.025 0.000 0.992 423 E CA 1.491 57.791 56.400 -0.166 0.000 0.804 423 E CB -0.605 28.966 29.700 -0.216 0.000 0.741 423 E HN 0.734 nan 8.360 nan 0.000 0.458 424 H N 0.736 119.867 119.070 0.101 0.000 2.343 424 H HA 0.035 4.591 4.556 -0.000 0.000 0.303 424 H C 2.368 177.729 175.328 0.055 0.000 1.068 424 H CA 1.097 57.190 56.048 0.075 0.000 1.359 424 H CB -0.005 29.753 29.762 -0.008 0.000 1.402 424 H HN 0.203 nan 8.280 nan 0.000 0.515 425 I N 0.762 121.419 120.570 0.146 0.000 2.264 425 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 425 I C 2.659 178.831 176.117 0.091 0.000 1.111 425 I CA 1.203 62.562 61.300 0.099 0.000 1.382 425 I CB -1.625 36.432 38.000 0.096 0.000 1.060 425 I HN 0.219 nan 8.210 nan 0.000 0.418 426 G N 0.122 108.965 108.800 0.072 0.000 2.440 426 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 426 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 426 G C 1.528 176.441 174.900 0.022 0.000 1.154 426 G CA 0.987 46.108 45.100 0.036 0.000 0.767 426 G HN 0.409 nan 8.290 nan 0.000 0.552 427 H N -0.739 118.347 119.070 0.027 0.000 2.353 427 H HA 0.034 4.590 4.556 -0.000 0.000 0.300 427 H C 2.331 177.613 175.328 -0.076 0.000 1.090 427 H CA 1.168 57.215 56.048 -0.002 0.000 1.327 427 H CB -0.151 29.538 29.762 -0.122 0.000 1.383 427 H HN 0.279 nan 8.280 nan 0.000 0.508 428 L N 0.232 121.466 121.223 0.019 0.000 2.046 428 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 428 L C 1.854 178.764 176.870 0.067 0.000 1.077 428 L CA 1.494 56.304 54.840 -0.051 0.000 0.747 428 L CB -0.479 41.548 42.059 -0.053 0.000 0.896 428 L HN 0.273 nan 8.230 nan 0.000 0.432 429 L N -1.259 120.029 121.223 0.107 0.000 2.109 429 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 429 L C 2.619 179.702 176.870 0.354 0.000 1.086 429 L CA 0.965 55.902 54.840 0.162 0.000 0.760 429 L CB -0.838 41.345 42.059 0.208 0.000 0.910 429 L HN 0.333 nan 8.230 nan 0.000 0.437 430 A N -0.430 122.580 122.820 0.316 0.000 1.902 430 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 430 A C 1.866 179.684 177.584 0.389 0.000 1.181 430 A CA 1.389 53.621 52.037 0.324 0.000 0.623 430 A CB -0.867 18.277 19.000 0.240 0.000 0.818 430 A HN 0.466 nan 8.150 nan 0.000 0.443 431 W N -0.196 121.173 121.300 0.115 0.000 2.358 431 W HA -0.039 4.621 4.660 -0.000 0.000 0.303 431 W C 2.809 179.391 176.519 0.105 0.000 1.208 431 W CA 1.155 58.558 57.345 0.098 0.000 1.274 431 W CB -0.887 28.621 29.460 0.080 0.000 1.138 431 W HN 0.395 nan 8.180 nan 0.000 0.515 432 A N 0.245 123.274 122.820 0.347 0.000 1.902 432 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 432 A C 2.062 179.843 177.584 0.327 0.000 1.181 432 A CA 2.314 54.500 52.037 0.248 0.000 0.623 432 A CB -0.743 18.312 19.000 0.093 0.000 0.818 432 A HN 0.221 nan 8.150 nan 0.000 0.443 433 R N -0.240 120.518 120.500 0.430 0.000 2.073 433 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 433 R C 2.274 178.679 176.300 0.175 0.000 1.120 433 R CA 2.047 58.350 56.100 0.338 0.000 0.967 433 R CB -0.689 29.751 30.300 0.234 0.000 0.862 433 R HN 0.624 nan 8.270 nan 0.000 0.436 434 Q N -0.259 119.628 119.800 0.145 0.000 2.170 434 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 434 Q C 1.532 177.565 176.000 0.056 0.000 0.976 434 Q CA 1.452 57.294 55.803 0.065 0.000 0.858 434 Q CB 0.132 28.872 28.738 0.004 0.000 0.907 434 Q HN 0.447 nan 8.270 nan 0.000 0.433 435 Q N 0.135 119.989 119.800 0.089 0.000 2.482 435 Q HA -0.028 4.312 4.340 -0.000 0.000 0.209 435 Q C -0.250 175.804 176.000 0.089 0.000 0.961 435 Q CA 0.312 56.161 55.803 0.077 0.000 0.945 435 Q CB 0.258 29.055 28.738 0.098 0.000 1.012 435 Q HN 0.420 nan 8.270 nan 0.000 0.515 439 V N -0.152 119.845 119.914 0.139 0.000 2.407 439 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 439 V C 2.352 178.487 176.094 0.068 0.000 1.055 439 V CA 2.079 64.432 62.300 0.087 0.000 1.049 439 V CB -1.625 30.256 31.823 0.098 0.000 0.662 439 V HN 0.861 nan 8.190 nan 0.000 0.455 440 Q N 2.092 121.933 119.800 0.068 0.000 2.045 440 Q HA 0.059 4.399 4.340 -0.000 0.000 0.206 440 Q C 1.664 177.701 176.000 0.063 0.000 0.991 440 Q CA 1.910 57.747 55.803 0.057 0.000 0.851 440 Q CB -0.985 27.783 28.738 0.049 0.000 0.911 440 Q HN 0.881 nan 8.270 nan 0.000 0.418 447 F N 1.562 121.569 119.950 0.096 0.000 2.496 447 F HA 0.423 4.950 4.527 -0.000 0.000 0.341 447 F C 0.307 176.196 175.800 0.148 0.000 1.134 447 F CA -0.686 57.376 58.000 0.105 0.000 0.968 447 F CB 1.390 40.433 39.000 0.072 0.000 1.205 447 F HN 0.268 nan 8.300 nan 0.000 0.436 448 Y N 2.347 122.751 120.300 0.173 0.000 2.240 448 Y HA 0.345 4.895 4.550 -0.000 0.000 0.341 448 Y C -0.289 175.729 175.900 0.197 0.000 1.326 448 Y CA -0.102 58.078 58.100 0.134 0.000 1.569 448 Y CB 0.628 39.123 38.460 0.060 0.000 1.426 448 Y HN 0.615 nan 8.280 nan 0.000 0.587 449 H N 1.655 120.586 119.070 -0.231 0.000 2.865 449 H HA 0.457 5.013 4.556 -0.000 0.000 0.362 449 H C -2.854 172.438 175.328 -0.061 0.000 1.114 449 H CA -2.221 53.768 56.048 -0.098 0.000 1.208 449 H CB 1.666 31.340 29.762 -0.146 0.000 1.727 449 H HN 0.339 nan 8.280 nan 0.000 0.534 450 P HA 0.306 nan 4.420 nan 0.000 0.300 450 P C -1.321 175.907 177.300 -0.120 0.000 1.356 450 P CA -0.612 62.139 63.100 -0.582 0.000 0.823 450 P CB 1.267 32.589 31.700 -0.630 0.000 0.934 451 V N 0.628 120.540 119.914 -0.002 0.000 3.130 451 V HA 0.426 4.546 4.120 -0.000 0.000 0.310 451 V C 1.341 177.498 176.094 0.106 0.000 1.158 451 V CA -0.929 61.417 62.300 0.077 0.000 1.029 451 V CB 1.636 33.543 31.823 0.140 0.000 1.057 451 V HN 0.306 nan 8.190 nan 0.000 0.436 452 I N -0.131 120.503 120.570 0.107 0.000 2.335 452 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 452 I C 2.338 178.595 176.117 0.233 0.000 1.129 452 I CA 1.712 63.107 61.300 0.159 0.000 1.402 452 I CB -0.188 37.855 38.000 0.072 0.000 1.069 452 I HN 0.858 nan 8.210 nan 0.000 0.424 453 E N 0.910 121.238 120.200 0.212 0.000 2.267 453 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 453 E C 1.869 178.678 176.600 0.348 0.000 0.998 453 E CA 0.921 57.498 56.400 0.296 0.000 0.830 453 E CB -0.199 29.668 29.700 0.279 0.000 0.751 453 E HN 0.508 nan 8.360 nan 0.000 0.491 454 E N -0.445 119.897 120.200 0.236 0.000 2.204 454 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 454 E C 2.128 178.714 176.600 -0.023 0.000 0.989 454 E CA 0.752 57.196 56.400 0.072 0.000 0.824 454 E CB -0.151 29.606 29.700 0.095 0.000 0.756 454 E HN 0.394 nan 8.360 nan 0.000 0.477 455 G N 1.649 110.489 108.800 0.067 0.000 2.418 455 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 455 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 455 G C 1.565 176.406 174.900 -0.098 0.000 1.158 455 G CA 0.471 45.526 45.100 -0.075 0.000 0.771 455 G HN 0.178 nan 8.290 nan 0.000 0.545 456 L N 0.855 122.115 121.223 0.062 0.000 2.042 456 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 456 L C 2.692 179.508 176.870 -0.089 0.000 1.076 456 L CA 2.358 57.234 54.840 0.060 0.000 0.749 456 L CB -0.641 41.548 42.059 0.217 0.000 0.893 456 L HN 0.276 nan 8.230 nan 0.000 0.432 457 R N -1.121 119.180 120.500 -0.332 0.000 2.096 457 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 457 R C 2.042 178.146 176.300 -0.328 0.000 1.139 457 R CA 2.238 57.943 56.100 -0.658 0.000 0.952 457 R CB -0.587 29.031 30.300 -1.137 0.000 0.854 457 R HN 0.467 nan 8.270 nan 0.000 0.436 458 T N 0.676 115.079 114.554 -0.251 0.000 2.635 458 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 458 T C 1.855 176.461 174.700 -0.157 0.000 1.040 458 T CA 1.664 63.651 62.100 -0.188 0.000 1.156 458 T CB -0.461 68.295 68.868 -0.186 0.000 0.863 458 T HN 0.515 nan 8.240 nan 0.000 0.430 459 A N 1.081 123.808 122.820 -0.156 0.000 1.908 459 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 459 A C 2.343 179.879 177.584 -0.081 0.000 1.181 459 A CA 1.333 53.298 52.037 -0.119 0.000 0.627 459 A CB -0.908 18.025 19.000 -0.111 0.000 0.818 459 A HN 0.487 nan 8.150 nan 0.000 0.445 460 L N -1.170 120.005 121.223 -0.079 0.000 2.046 460 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 460 L C 2.858 179.701 176.870 -0.045 0.000 1.077 460 L CA 1.546 56.358 54.840 -0.046 0.000 0.747 460 L CB -0.471 41.566 42.059 -0.037 0.000 0.896 460 L HN 0.342 nan 8.230 nan 0.000 0.432 461 R N -0.227 120.225 120.500 -0.080 0.000 2.081 461 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 461 R C 1.978 178.248 176.300 -0.051 0.000 1.131 461 R CA 1.745 57.805 56.100 -0.067 0.000 0.960 461 R CB -0.423 29.823 30.300 -0.091 0.000 0.856 461 R HN 0.305 nan 8.270 nan 0.000 0.436 462 D N 0.321 120.685 120.400 -0.061 0.000 2.117 462 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 462 D C 1.763 178.045 176.300 -0.029 0.000 0.987 462 D CA 1.516 55.486 54.000 -0.051 0.000 0.829 462 D CB 0.002 40.761 40.800 -0.068 0.000 0.961 462 D HN 0.225 nan 8.370 nan 0.000 0.460 463 A N 0.209 123.019 122.820 -0.016 0.000 1.873 463 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 463 A C 2.189 179.785 177.584 0.020 0.000 1.186 463 A CA 1.806 53.852 52.037 0.016 0.000 0.616 463 A CB -0.897 18.133 19.000 0.050 0.000 0.823 463 A HN 0.384 nan 8.150 nan 0.000 0.442 464 Q N -0.335 119.472 119.800 0.013 0.000 2.112 464 Q HA -0.330 4.010 4.340 -0.000 0.000 0.206 464 Q C 2.118 178.118 176.000 -0.001 0.000 0.987 464 Q CA 2.320 58.130 55.803 0.012 0.000 0.858 464 Q CB -0.169 28.572 28.738 0.005 0.000 0.905 464 Q HN 0.868 nan 8.270 nan 0.000 0.420 465 Q N -0.275 119.519 119.800 -0.011 0.000 2.435 465 Q HA -0.043 4.297 4.340 -0.000 0.000 0.207 465 Q C 0.989 176.980 176.000 -0.015 0.000 0.956 465 Q CA 1.176 56.970 55.803 -0.016 0.000 0.917 465 Q CB 0.101 28.826 28.738 -0.021 0.000 0.997 465 Q HN 0.212 nan 8.270 nan 0.000 0.497 466 K N 0.153 120.547 120.400 -0.010 0.000 2.459 466 K HA 0.192 4.512 4.320 -0.000 0.000 0.193 466 K C -0.131 176.464 176.600 -0.008 0.000 1.030 466 K CA -0.079 56.201 56.287 -0.012 0.000 1.026 466 K CB 0.155 32.648 32.500 -0.012 0.000 0.809 466 K HN 0.228 nan 8.250 nan 0.000 0.504 467 L N 0.285 121.509 121.223 0.001 0.000 2.436 467 L HA 0.102 4.442 4.340 -0.000 0.000 0.265 467 L C 1.337 178.204 176.870 -0.005 0.000 1.168 467 L CA -0.377 54.468 54.840 0.007 0.000 0.815 467 L CB 0.722 42.792 42.059 0.019 0.000 1.109 467 L HN 0.057 nan 8.230 nan 0.000 0.462 468 A N 2.882 125.702 122.820 0.001 0.000 2.235 468 A HA 0.150 4.470 4.320 -0.000 0.000 0.208 468 A C 0.885 178.461 177.584 -0.013 0.000 1.172 468 A CA 0.107 52.141 52.037 -0.005 0.000 0.786 468 A CB -0.549 18.454 19.000 0.005 0.000 0.804 468 A HN 0.485 nan 8.150 nan 0.000 0.479 469 I N 0.892 121.452 120.570 -0.017 0.000 2.882 469 I HA 0.077 4.247 4.170 -0.000 0.000 0.286 469 I C 0.144 176.207 176.117 -0.090 0.000 1.139 469 I CA -0.246 61.031 61.300 -0.038 0.000 1.379 469 I CB 0.207 38.192 38.000 -0.026 0.000 1.410 469 I HN 0.313 nan 8.210 nan 0.000 0.594 470 E N 3.572 123.675 120.200 -0.160 0.000 2.360 470 E HA 0.034 4.384 4.350 -0.000 0.000 0.269 470 E C 0.364 176.719 176.600 -0.408 0.000 1.022 470 E CA -0.341 55.845 56.400 -0.357 0.000 0.887 470 E CB 1.048 30.370 29.700 -0.630 0.000 0.990 470 E HN 0.357 nan 8.360 nan 0.000 0.426 471 K N 1.771 121.965 120.400 -0.343 0.000 2.057 471 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 471 K C 1.932 178.454 176.600 -0.131 0.000 1.049 471 K CA 1.346 57.535 56.287 -0.164 0.000 0.931 471 K CB -0.250 32.218 32.500 -0.054 0.000 0.714 471 K HN 0.571 nan 8.250 nan 0.000 0.440 472 H N -1.054 118.027 119.070 0.018 0.000 2.489 472 H HA -0.044 4.512 4.556 -0.000 0.000 0.293 472 H C 0.542 175.885 175.328 0.025 0.000 1.066 472 H CA 0.722 56.783 56.048 0.021 0.000 1.305 472 H CB -0.284 29.488 29.762 0.018 0.000 1.386 472 H HN 0.180 nan 8.280 nan 0.000 0.551 476 E N 0.206 120.469 120.200 0.104 0.000 2.358 476 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 476 E C -0.307 176.417 176.600 0.207 0.000 1.010 476 E CA 0.828 57.305 56.400 0.130 0.000 0.856 476 E CB 0.443 30.210 29.700 0.112 0.000 0.795 476 E HN 0.302 nan 8.360 nan 0.000 0.504 477 F N 0.979 120.950 119.950 0.035 0.000 2.547 477 F HA 0.298 4.825 4.527 -0.000 0.000 0.316 477 F C -0.545 175.273 175.800 0.029 0.000 1.121 477 F CA -1.205 56.814 58.000 0.032 0.000 0.911 477 F CB 0.955 39.969 39.000 0.023 0.000 1.179 477 F HN -0.318 nan 8.300 nan 0.000 0.443 481 H N 0.000 119.076 119.070 0.009 0.000 2.539 481 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 481 H CA 0.000 56.055 56.048 0.012 0.000 1.023 481 H CB 0.000 29.769 29.762 0.012 0.000 1.292 481 H HN 0.000 nan 8.280 nan 0.000 0.496