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 3htw_1_A DATA FIRST_RESID 102 DATA SEQUENCE TAQTVTGAVA AAQLGATLPH EHVIFGYPGY AGDVTLGPFD HAAALASCTE DATA SEQUENCE TARALLARGI QTVVDATPND CGRNPAFLRE VSEATGLQIL CATGFYYEGE DATA SEQUENCE GATTYFKFRA SLGDAESEIY EMMRTEVTEG IAGTGIRAGV IXLASSRDAI DATA SEQUENCE TPYEQLFFRA AARVQRETGV PIITHTQEGQ QGPQQAELLT SLGADPARIM DATA SEQUENCE IGHMDGNTDP AYHRETLRHG VSIAFDRIGL QGMVGTPTDA ERLSVLTTLL DATA SEQUENCE GEGYADRLLL SHDSIWHWLG RPPAIPEAAL PAVKDWHPLH ISDDILPDLR DATA SEQUENCE RRGITEEQVG QMTVGNPARL FG 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 102 T HA 0.000 nan 4.350 nan 0.000 0.228 102 T C 0.000 174.723 174.700 0.038 0.000 1.109 102 T CA 0.000 62.117 62.100 0.029 0.000 1.349 102 T CB 0.000 68.881 68.868 0.021 0.000 0.612 103 A N 1.390 124.239 122.820 0.047 0.000 2.340 103 A HA 0.722 5.042 4.320 0.000 0.000 0.268 103 A C 0.159 177.762 177.584 0.032 0.000 1.100 103 A CA -0.441 51.631 52.037 0.058 0.000 0.803 103 A CB 0.808 19.853 19.000 0.075 0.000 1.043 103 A HN 0.867 nan 8.150 nan 0.000 0.488 104 Q N 1.068 120.885 119.800 0.028 0.000 2.340 104 Q HA 0.483 4.824 4.340 0.000 0.000 0.259 104 Q C 0.116 176.112 176.000 -0.007 0.000 0.964 104 Q CA 0.032 55.840 55.803 0.010 0.000 0.900 104 Q CB 0.938 29.682 28.738 0.011 0.000 1.228 104 Q HN 0.888 nan 8.270 nan 0.000 0.449 105 T N -1.204 113.341 114.554 -0.015 0.000 2.937 105 T HA 0.373 4.723 4.350 0.000 0.000 0.283 105 T C 1.037 175.719 174.700 -0.031 0.000 1.012 105 T CA -0.235 61.846 62.100 -0.032 0.000 0.997 105 T CB 0.807 69.656 68.868 -0.033 0.000 1.136 105 T HN 0.494 nan 8.240 nan 0.000 0.551 106 V N -1.074 118.815 119.914 -0.042 0.000 3.241 106 V HA 0.071 4.192 4.120 0.000 0.000 0.269 106 V C 1.664 177.741 176.094 -0.028 0.000 1.151 106 V CA 1.601 63.879 62.300 -0.037 0.000 1.158 106 V CB -2.034 29.759 31.823 -0.049 0.000 0.764 106 V HN 1.106 nan 8.190 nan 0.000 0.508 107 T N -3.056 111.482 114.554 -0.026 0.000 3.084 107 T HA 0.646 4.996 4.350 0.000 0.000 0.270 107 T C 0.762 175.454 174.700 -0.013 0.000 1.008 107 T CA 0.386 62.474 62.100 -0.020 0.000 0.900 107 T CB 0.280 69.135 68.868 -0.022 0.000 1.084 107 T HN 1.677 nan 8.240 nan 0.000 0.538 108 G N 0.822 109.615 108.800 -0.012 0.000 2.353 108 G HA2 0.420 4.380 3.960 0.000 0.000 0.615 108 G HA3 0.420 4.380 3.960 0.000 0.000 0.615 108 G C -0.607 174.291 174.900 -0.004 0.000 1.280 108 G CA -0.558 44.538 45.100 -0.006 0.000 1.000 108 G HN 0.861 nan 8.290 nan 0.000 0.516 109 A N -0.918 121.902 122.820 0.001 0.000 2.388 109 A HA 0.822 5.142 4.320 0.000 0.000 0.257 109 A C 0.737 178.325 177.584 0.006 0.000 1.095 109 A CA 0.472 52.512 52.037 0.005 0.000 0.791 109 A CB 0.565 19.570 19.000 0.008 0.000 1.029 109 A HN 2.363 nan 8.150 nan 0.000 0.489 110 V N -0.543 119.377 119.914 0.010 0.000 2.876 110 V HA 0.874 4.994 4.120 0.000 0.000 0.312 110 V C 0.233 176.338 176.094 0.019 0.000 1.085 110 V CA -0.533 61.774 62.300 0.011 0.000 0.945 110 V CB 1.070 32.899 31.823 0.009 0.000 1.017 110 V HN 1.668 nan 8.190 nan 0.000 0.428 111 A N 2.956 125.786 122.820 0.018 0.000 2.407 111 A HA 0.720 5.040 4.320 0.000 0.000 0.248 111 A C 1.665 179.265 177.584 0.028 0.000 1.082 111 A CA 0.212 52.261 52.037 0.021 0.000 0.785 111 A CB 0.615 19.625 19.000 0.017 0.000 1.020 111 A HN 2.243 nan 8.150 nan 0.000 0.489 112 A N 2.102 124.942 122.820 0.033 0.000 1.958 112 A HA -0.018 4.302 4.320 0.000 0.000 0.221 112 A C 2.285 179.892 177.584 0.038 0.000 1.178 112 A CA 2.645 54.707 52.037 0.043 0.000 0.642 112 A CB -0.973 18.050 19.000 0.039 0.000 0.816 112 A HN 1.799 nan 8.150 nan 0.000 0.453 113 A N -0.654 122.182 122.820 0.028 0.000 2.067 113 A HA -0.126 4.194 4.320 0.000 0.000 0.219 113 A C 1.924 179.522 177.584 0.023 0.000 1.158 113 A CA 1.406 53.457 52.037 0.024 0.000 0.661 113 A CB -0.422 18.589 19.000 0.018 0.000 0.801 113 A HN 0.749 nan 8.150 nan 0.000 0.452 114 Q N -0.449 119.364 119.800 0.022 0.000 2.360 114 Q HA 0.292 4.633 4.340 0.000 0.000 0.202 114 Q C 1.413 177.425 176.000 0.020 0.000 0.915 114 Q CA -0.013 55.801 55.803 0.018 0.000 0.943 114 Q CB -0.103 28.643 28.738 0.013 0.000 1.064 114 Q HN 0.606 nan 8.270 nan 0.000 0.511 115 L N 0.628 121.868 121.223 0.028 0.000 2.093 115 L HA -0.056 4.284 4.340 0.000 0.000 0.208 115 L C 1.350 178.237 176.870 0.028 0.000 1.085 115 L CA 0.966 55.824 54.840 0.029 0.000 0.755 115 L CB -1.003 41.087 42.059 0.052 0.000 0.904 115 L HN 0.446 nan 8.230 nan 0.000 0.435 116 G N -0.311 108.509 108.800 0.032 0.000 2.641 116 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 116 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 116 G C 0.076 174.998 174.900 0.037 0.000 1.315 116 G CA -0.362 44.756 45.100 0.030 0.000 0.907 116 G HN 0.617 nan 8.290 nan 0.000 0.572 117 A N -0.519 122.321 122.820 0.034 0.000 2.511 117 A HA 0.593 4.914 4.320 0.000 0.000 0.242 117 A C 0.735 178.344 177.584 0.041 0.000 1.069 117 A CA 1.691 53.752 52.037 0.040 0.000 0.763 117 A CB 0.028 19.050 19.000 0.036 0.000 1.001 117 A HN 1.648 nan 8.150 nan 0.000 0.498 118 T N 2.542 117.125 114.554 0.048 0.000 2.893 118 T HA 0.527 4.877 4.350 0.000 0.000 0.293 118 T C -0.580 174.148 174.700 0.046 0.000 1.027 118 T CA -0.363 61.757 62.100 0.034 0.000 0.988 118 T CB 1.101 69.983 68.868 0.024 0.000 1.043 118 T HN 0.464 nan 8.240 nan 0.000 0.461 119 L N 4.639 125.886 121.223 0.040 0.000 2.277 119 L HA 0.338 4.678 4.340 0.000 0.000 0.284 119 L C -1.347 175.527 176.870 0.006 0.000 1.028 119 L CA -2.120 52.763 54.840 0.072 0.000 0.835 119 L CB 1.826 43.981 42.059 0.160 0.000 1.215 119 L HN 0.448 nan 8.230 nan 0.000 0.425 120 P HA -0.115 nan 4.420 nan 0.000 0.242 120 P C -0.062 177.263 177.300 0.042 0.000 1.197 120 P CA 0.944 64.035 63.100 -0.015 0.000 0.765 120 P CB 0.058 31.897 31.700 0.231 0.000 0.936 121 H N -0.810 118.239 119.070 -0.036 0.000 3.221 121 H HA 0.277 4.833 4.556 0.000 0.000 0.324 121 H C -0.739 174.535 175.328 -0.090 0.000 1.212 121 H CA -0.402 55.608 56.048 -0.063 0.000 1.624 121 H CB 0.809 30.597 29.762 0.044 0.000 1.899 121 H HN -0.200 nan 8.280 nan 0.000 0.538 122 E N 2.525 122.647 120.200 -0.130 0.000 2.458 122 E HA 0.296 4.646 4.350 0.000 0.000 0.278 122 E C -1.023 175.165 176.600 -0.687 0.000 1.004 122 E CA -0.958 55.333 56.400 -0.180 0.000 0.823 122 E CB 1.990 31.676 29.700 -0.022 0.000 1.396 122 E HN 0.556 nan 8.360 nan 0.000 0.463 123 H N 0.612 119.478 119.070 -0.340 0.000 2.970 123 H HA 0.223 4.779 4.556 0.000 0.000 0.315 123 H C 0.957 175.845 175.328 -0.732 0.000 0.992 123 H CA -0.240 55.547 56.048 -0.435 0.000 1.363 123 H CB 1.408 30.973 29.762 -0.329 0.000 1.532 123 H HN 0.122 nan 8.280 nan 0.000 0.514 124 V N 3.980 123.449 119.914 -0.742 0.000 2.261 124 V HA -0.159 3.961 4.120 0.000 0.000 0.246 124 V C 1.280 177.272 176.094 -0.170 0.000 1.047 124 V CA 1.778 63.618 62.300 -0.766 0.000 1.015 124 V CB -0.143 31.381 31.823 -0.498 0.000 0.642 124 V HN 0.640 nan 8.190 nan 0.000 0.446 125 I N -3.854 116.657 120.570 -0.099 0.000 2.828 125 I HA 0.755 4.925 4.170 0.000 0.000 0.302 125 I C -1.135 174.891 176.117 -0.152 0.000 1.101 125 I CA -0.907 60.346 61.300 -0.079 0.000 1.031 125 I CB 2.487 40.425 38.000 -0.105 0.000 1.231 125 I HN 0.047 nan 8.210 nan 0.000 0.427 126 F N 2.362 122.025 119.950 -0.477 0.000 2.665 126 F HA 0.811 5.338 4.527 0.000 0.000 0.308 126 F C -0.953 174.454 175.800 -0.654 0.000 1.112 126 F CA -0.186 57.439 58.000 -0.624 0.000 0.972 126 F CB 2.246 40.749 39.000 -0.828 0.000 1.295 126 F HN 0.818 nan 8.300 nan 0.000 0.440 127 G N 3.268 111.015 108.800 -1.755 0.000 2.740 127 G HA2 0.463 4.423 3.960 0.000 0.000 0.296 127 G HA3 0.463 4.423 3.960 0.000 0.000 0.296 127 G C -2.338 171.855 174.900 -1.179 0.000 1.439 127 G CA -0.597 43.730 45.100 -1.288 0.000 1.066 127 G HN 0.531 nan 8.290 nan 0.000 0.527 128 Y N 1.487 121.597 120.300 -0.316 0.000 2.411 128 Y HA 0.281 4.831 4.550 0.000 0.000 0.333 128 Y C -1.595 174.349 175.900 0.074 0.000 1.186 128 Y CA -1.477 56.595 58.100 -0.047 0.000 1.381 128 Y CB 0.780 39.371 38.460 0.218 0.000 1.273 128 Y HN 0.284 nan 8.280 nan 0.000 0.546 129 P HA 0.053 nan 4.420 nan 0.000 0.260 129 P C 0.592 177.940 177.300 0.081 0.000 1.172 129 P CA 1.949 65.117 63.100 0.114 0.000 0.760 129 P CB 0.334 32.093 31.700 0.098 0.000 0.773 130 G N 3.125 111.894 108.800 -0.052 0.000 2.316 130 G HA2 -0.313 3.648 3.960 0.000 0.000 0.203 130 G HA3 -0.313 3.648 3.960 0.000 0.000 0.203 130 G C 0.895 175.719 174.900 -0.127 0.000 0.999 130 G CA 0.201 45.254 45.100 -0.078 0.000 0.649 130 G HN 0.540 nan 8.290 nan 0.000 0.489 131 Y N 0.872 121.167 120.300 -0.007 0.000 2.241 131 Y HA 0.226 4.776 4.550 0.001 0.000 0.286 131 Y C 2.635 178.521 175.900 -0.023 0.000 1.166 131 Y CA 1.684 59.781 58.100 -0.005 0.000 1.203 131 Y CB -0.986 37.458 38.460 -0.028 0.000 0.977 131 Y HN 0.594 nan 8.280 nan 0.000 0.529 132 A N 1.176 123.333 122.820 -1.105 0.000 2.067 132 A HA 0.035 4.355 4.320 0.000 0.000 0.219 132 A C 2.404 179.825 177.584 -0.272 0.000 1.158 132 A CA 1.246 52.880 52.037 -0.672 0.000 0.661 132 A CB -1.488 17.072 19.000 -0.734 0.000 0.801 132 A HN 0.647 nan 8.150 nan 0.000 0.452 133 G N -1.016 107.651 108.800 -0.221 0.000 2.650 133 G HA2 -0.054 3.907 3.960 0.000 0.000 0.214 133 G HA3 -0.054 3.907 3.960 0.000 0.000 0.214 133 G C 0.758 175.624 174.900 -0.056 0.000 1.136 133 G CA 0.982 46.014 45.100 -0.114 0.000 0.789 133 G HN 0.469 nan 8.290 nan 0.000 0.536 134 D N -0.139 120.242 120.400 -0.032 0.000 2.587 134 D HA 0.138 4.778 4.640 0.000 0.000 0.233 134 D C 1.879 178.201 176.300 0.037 0.000 1.213 134 D CA -0.326 53.683 54.000 0.015 0.000 0.827 134 D CB 0.380 41.208 40.800 0.047 0.000 1.006 134 D HN -0.035 nan 8.370 nan 0.000 0.490 135 V N -0.317 119.608 119.914 0.017 0.000 2.515 135 V HA -0.190 3.930 4.120 0.000 0.000 0.250 135 V C 1.903 178.024 176.094 0.044 0.000 1.058 135 V CA 2.253 64.578 62.300 0.041 0.000 1.064 135 V CB -0.305 31.528 31.823 0.017 0.000 0.675 135 V HN 0.309 nan 8.190 nan 0.000 0.461 136 T N 0.774 115.344 114.554 0.027 0.000 2.708 136 T HA -0.083 4.267 4.350 0.000 0.000 0.266 136 T C 1.594 176.313 174.700 0.032 0.000 1.037 136 T CA 2.074 64.189 62.100 0.025 0.000 1.146 136 T CB -0.208 68.668 68.868 0.014 0.000 0.865 136 T HN 0.469 nan 8.240 nan 0.000 0.435 137 L N -0.264 120.979 121.223 0.033 0.000 2.616 137 L HA 0.354 4.694 4.340 0.000 0.000 0.229 137 L C 1.582 178.481 176.870 0.048 0.000 1.110 137 L CA -0.016 54.845 54.840 0.034 0.000 0.884 137 L CB 0.323 42.397 42.059 0.025 0.000 1.115 137 L HN 0.215 nan 8.230 nan 0.000 0.481 138 G N 1.465 110.305 108.800 0.067 0.000 5.001 138 G HA2 0.310 4.270 3.960 0.000 0.000 0.304 138 G HA3 0.310 4.270 3.960 0.000 0.000 0.304 138 G C -2.621 172.357 174.900 0.130 0.000 1.400 138 G CA -0.622 44.535 45.100 0.094 0.000 1.029 138 G HN -0.088 nan 8.290 nan 0.000 0.584 139 P HA 0.242 nan 4.420 nan 0.000 0.274 139 P C -0.931 176.502 177.300 0.222 0.000 1.246 139 P CA -0.610 62.581 63.100 0.151 0.000 0.795 139 P CB 1.546 33.307 31.700 0.103 0.000 1.006 140 F N 1.855 121.843 119.950 0.064 0.000 2.421 140 F HA 0.186 4.713 4.527 0.000 0.000 0.358 140 F C 0.346 176.173 175.800 0.045 0.000 1.115 140 F CA -0.680 57.351 58.000 0.052 0.000 1.160 140 F CB -0.064 38.940 39.000 0.007 0.000 1.123 140 F HN 0.123 nan 8.300 nan 0.000 0.508 141 D N 5.619 125.810 120.400 -0.348 0.000 2.468 141 D HA 0.018 4.658 4.640 0.000 0.000 0.218 141 D C 1.392 177.263 176.300 -0.715 0.000 1.155 141 D CA 0.233 54.033 54.000 -0.333 0.000 0.924 141 D CB -0.036 40.664 40.800 -0.167 0.000 1.029 141 D HN 0.741 nan 8.370 nan 0.000 0.515 142 H N 3.831 122.474 119.070 -0.711 0.000 2.289 142 H HA -0.227 4.329 4.556 0.001 0.000 0.296 142 H C 1.362 176.498 175.328 -0.320 0.000 1.091 142 H CA 2.094 57.754 56.048 -0.647 0.000 1.274 142 H CB 0.315 29.985 29.762 -0.153 0.000 1.364 142 H HN 0.510 nan 8.280 nan 0.000 0.490 143 A N 1.097 123.841 122.820 -0.127 0.000 1.908 143 A HA -0.113 4.207 4.320 0.000 0.000 0.218 143 A C 2.746 180.226 177.584 -0.172 0.000 1.181 143 A CA 2.084 54.068 52.037 -0.088 0.000 0.627 143 A CB -1.091 17.905 19.000 -0.007 0.000 0.818 143 A HN 0.602 nan 8.150 nan 0.000 0.445 144 A N -0.351 122.341 122.820 -0.213 0.000 1.930 144 A HA 0.220 4.540 4.320 0.000 0.000 0.217 144 A C 2.490 179.914 177.584 -0.267 0.000 1.175 144 A CA 1.943 53.873 52.037 -0.177 0.000 0.627 144 A CB -0.933 17.995 19.000 -0.120 0.000 0.815 144 A HN 1.020 nan 8.150 nan 0.000 0.443 145 A N -0.482 122.000 122.820 -0.563 0.000 1.898 145 A HA -0.003 4.317 4.320 0.000 0.000 0.216 145 A C 2.115 179.653 177.584 -0.077 0.000 1.181 145 A CA 1.668 53.277 52.037 -0.713 0.000 0.620 145 A CB -0.622 17.627 19.000 -1.251 0.000 0.819 145 A HN 0.634 nan 8.150 nan 0.000 0.442 146 L N -0.157 121.037 121.223 -0.047 0.000 2.046 146 L HA -0.083 4.257 4.340 0.000 0.000 0.208 146 L C 2.669 179.524 176.870 -0.026 0.000 1.077 146 L CA 2.208 57.057 54.840 0.015 0.000 0.747 146 L CB -0.825 41.153 42.059 -0.136 0.000 0.896 146 L HN 0.352 nan 8.230 nan 0.000 0.432 147 A N -1.641 121.147 122.820 -0.053 0.000 1.858 147 A HA -0.229 4.091 4.320 0.000 0.000 0.216 147 A C 2.522 180.097 177.584 -0.016 0.000 1.190 147 A CA 2.027 54.042 52.037 -0.036 0.000 0.617 147 A CB -1.249 17.727 19.000 -0.040 0.000 0.827 147 A HN 0.530 nan 8.150 nan 0.000 0.443 148 S N -1.033 114.666 115.700 -0.002 0.000 2.348 148 S HA -0.202 4.269 4.470 0.000 0.000 0.221 148 S C 2.015 176.649 174.600 0.057 0.000 1.033 148 S CA 1.714 59.933 58.200 0.033 0.000 1.010 148 S CB -0.856 62.401 63.200 0.094 0.000 0.891 148 S HN 0.656 nan 8.310 nan 0.000 0.442 149 C N 1.715 121.102 119.300 0.145 0.000 2.425 149 C HA -0.020 4.440 4.460 0.000 0.000 0.277 149 C C 3.074 178.136 174.990 0.121 0.000 1.280 149 C CA 1.424 60.600 59.018 0.264 0.000 1.744 149 C CB -1.828 26.163 27.740 0.418 0.000 1.989 149 C HN 0.894 nan 8.230 nan 0.000 0.491 150 T N -0.842 113.731 114.554 0.032 0.000 2.821 150 T HA -0.119 4.232 4.350 0.000 0.000 0.267 150 T C 1.531 176.201 174.700 -0.050 0.000 1.046 150 T CA 1.273 63.364 62.100 -0.014 0.000 1.139 150 T CB -0.278 68.568 68.868 -0.036 0.000 0.871 150 T HN 0.443 nan 8.240 nan 0.000 0.454 151 E N 1.230 121.393 120.200 -0.063 0.000 2.106 151 E HA -0.057 4.294 4.350 0.000 0.000 0.192 151 E C 2.483 178.984 176.600 -0.165 0.000 0.984 151 E CA 1.363 57.707 56.400 -0.092 0.000 0.806 151 E CB -0.868 28.785 29.700 -0.078 0.000 0.750 151 E HN 0.553 nan 8.360 nan 0.000 0.458 152 T N 1.295 115.701 114.554 -0.247 0.000 2.746 152 T HA -0.115 4.235 4.350 0.000 0.000 0.267 152 T C 1.923 176.314 174.700 -0.515 0.000 1.039 152 T CA 1.497 63.300 62.100 -0.495 0.000 1.142 152 T CB -0.198 68.145 68.868 -0.875 0.000 0.866 152 T HN 0.273 nan 8.240 nan 0.000 0.444 153 A N 1.763 124.373 122.820 -0.351 0.000 1.902 153 A HA -0.129 4.192 4.320 0.000 0.000 0.217 153 A C 2.370 179.894 177.584 -0.099 0.000 1.181 153 A CA 1.422 53.374 52.037 -0.141 0.000 0.623 153 A CB -0.490 18.544 19.000 0.057 0.000 0.818 153 A HN 0.400 nan 8.150 nan 0.000 0.443 154 R N -0.671 119.772 120.500 -0.096 0.000 2.096 154 R HA -0.072 4.268 4.340 0.000 0.000 0.235 154 R C 2.432 178.685 176.300 -0.079 0.000 1.127 154 R CA 1.110 57.169 56.100 -0.069 0.000 0.968 154 R CB -0.427 29.837 30.300 -0.061 0.000 0.861 154 R HN 0.526 nan 8.270 nan 0.000 0.440 155 A N 1.096 123.844 122.820 -0.119 0.000 1.930 155 A HA -0.104 4.216 4.320 0.000 0.000 0.217 155 A C 2.132 179.664 177.584 -0.087 0.000 1.175 155 A CA 1.034 53.005 52.037 -0.110 0.000 0.627 155 A CB -0.385 18.524 19.000 -0.152 0.000 0.815 155 A HN 0.167 nan 8.150 nan 0.000 0.443 156 L N -0.773 120.387 121.223 -0.104 0.000 2.056 156 L HA -0.141 4.199 4.340 0.000 0.000 0.207 156 L C 2.515 179.377 176.870 -0.013 0.000 1.078 156 L CA 0.925 55.737 54.840 -0.046 0.000 0.749 156 L CB -0.533 41.510 42.059 -0.026 0.000 0.901 156 L HN 0.362 nan 8.230 nan 0.000 0.433 157 L N -0.248 120.963 121.223 -0.019 0.000 2.079 157 L HA -0.215 4.125 4.340 0.000 0.000 0.210 157 L C 2.863 179.728 176.870 -0.008 0.000 1.081 157 L CA 1.183 56.019 54.840 -0.007 0.000 0.752 157 L CB -0.749 41.304 42.059 -0.010 0.000 0.896 157 L HN 0.249 nan 8.230 nan 0.000 0.433 158 A N -0.260 122.549 122.820 -0.018 0.000 1.972 158 A HA -0.159 4.162 4.320 0.000 0.000 0.219 158 A C 2.148 179.729 177.584 -0.004 0.000 1.169 158 A CA 1.230 53.258 52.037 -0.014 0.000 0.635 158 A CB -0.331 18.655 19.000 -0.024 0.000 0.810 158 A HN 0.272 nan 8.150 nan 0.000 0.446 159 R N -1.077 119.423 120.500 -0.000 0.000 2.323 159 R HA 0.102 4.443 4.340 0.000 0.000 0.198 159 R C 1.369 177.679 176.300 0.018 0.000 0.988 159 R CA 0.737 56.844 56.100 0.013 0.000 1.041 159 R CB -0.877 29.438 30.300 0.024 0.000 0.926 159 R HN 0.887 nan 8.270 nan 0.000 0.476 160 G N 1.125 109.933 108.800 0.014 0.000 2.176 160 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 160 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 160 G C 0.212 175.126 174.900 0.023 0.000 0.979 160 G CA -0.151 44.959 45.100 0.016 0.000 0.641 160 G HN 0.310 nan 8.290 nan 0.000 0.530 161 I N 1.047 121.635 120.570 0.029 0.000 2.396 161 I HA 0.203 4.373 4.170 0.000 0.000 0.289 161 I C 1.501 177.638 176.117 0.034 0.000 1.056 161 I CA 0.116 61.440 61.300 0.040 0.000 1.365 161 I CB 1.269 39.305 38.000 0.060 0.000 1.407 161 I HN 0.184 nan 8.210 nan 0.000 0.509 162 Q N 3.100 122.918 119.800 0.030 0.000 2.378 162 Q HA 0.153 4.493 4.340 0.000 0.000 0.216 162 Q C -0.242 175.769 176.000 0.019 0.000 0.892 162 Q CA 0.576 56.392 55.803 0.022 0.000 0.931 162 Q CB 0.817 29.565 28.738 0.017 0.000 1.086 162 Q HN 0.662 nan 8.270 nan 0.000 0.528 163 T N 0.096 114.661 114.554 0.017 0.000 2.912 163 T HA 0.523 4.873 4.350 0.000 0.000 0.299 163 T C -1.135 173.557 174.700 -0.013 0.000 1.052 163 T CA -0.479 61.615 62.100 -0.009 0.000 0.996 163 T CB 2.452 71.299 68.868 -0.035 0.000 1.070 163 T HN -0.233 nan 8.240 nan 0.000 0.465 164 V N 2.462 122.351 119.914 -0.040 0.000 2.656 164 V HA 0.525 4.645 4.120 0.000 0.000 0.307 164 V C -0.562 175.420 176.094 -0.186 0.000 1.051 164 V CA -0.795 61.469 62.300 -0.060 0.000 0.893 164 V CB 2.238 34.074 31.823 0.022 0.000 0.999 164 V HN 0.733 nan 8.190 nan 0.000 0.426 165 V N 3.676 123.435 119.914 -0.259 0.000 2.333 165 V HA 0.300 4.421 4.120 0.000 0.000 0.274 165 V C 0.029 175.922 176.094 -0.335 0.000 1.028 165 V CA -0.432 61.655 62.300 -0.355 0.000 0.851 165 V CB 1.396 32.893 31.823 -0.543 0.000 1.000 165 V HN 0.896 nan 8.190 nan 0.000 0.456 166 D N 4.639 124.844 120.400 -0.325 0.000 2.325 166 D HA 0.291 4.931 4.640 0.000 0.000 0.251 166 D C 0.579 176.659 176.300 -0.366 0.000 1.196 166 D CA -0.163 53.609 54.000 -0.379 0.000 0.866 166 D CB 2.006 42.623 40.800 -0.306 0.000 1.101 166 D HN 0.607 nan 8.370 nan 0.000 0.476 167 A N 3.515 125.996 122.820 -0.565 0.000 2.415 167 A HA 0.129 4.449 4.320 0.000 0.000 0.248 167 A C 0.754 178.293 177.584 -0.074 0.000 1.299 167 A CA -0.295 51.465 52.037 -0.462 0.000 0.899 167 A CB -0.084 18.307 19.000 -1.014 0.000 0.997 167 A HN 0.486 nan 8.150 nan 0.000 0.506 168 T N 3.539 118.125 114.554 0.054 0.000 2.817 168 T HA 0.299 4.649 4.350 0.000 0.000 0.295 168 T C -2.488 172.228 174.700 0.026 0.000 0.958 168 T CA -0.419 61.794 62.100 0.188 0.000 1.157 168 T CB 0.513 69.462 68.868 0.134 0.000 0.898 168 T HN 0.192 nan 8.240 nan 0.000 0.536 169 P HA 0.167 nan 4.420 nan 0.000 0.269 169 P C 0.719 177.921 177.300 -0.164 0.000 1.215 169 P CA -0.456 62.613 63.100 -0.052 0.000 0.780 169 P CB 0.520 32.208 31.700 -0.020 0.000 0.898 170 N N 1.268 119.833 118.700 -0.225 0.000 2.192 170 N HA -0.167 4.573 4.740 0.000 0.000 0.188 170 N C 0.781 176.033 175.510 -0.430 0.000 1.013 170 N CA 1.437 54.309 53.050 -0.297 0.000 0.863 170 N CB -0.626 37.692 38.487 -0.281 0.000 0.990 170 N HN 0.557 nan 8.380 nan 0.000 0.430 171 D N -1.420 118.626 120.400 -0.591 0.000 2.342 171 D HA 0.083 4.723 4.640 0.000 0.000 0.221 171 D C -0.116 176.049 176.300 -0.225 0.000 1.101 171 D CA -0.129 53.620 54.000 -0.419 0.000 0.837 171 D CB -0.764 39.767 40.800 -0.448 0.000 0.938 171 D HN 0.118 nan 8.370 nan 0.000 0.508 172 C N 0.189 119.325 119.300 -0.274 0.000 2.859 172 C HA 0.699 5.159 4.460 0.000 0.000 0.256 172 C C 1.585 176.233 174.990 -0.569 0.000 1.660 172 C CA -0.182 58.565 59.018 -0.451 0.000 1.755 172 C CB -0.453 26.956 27.740 -0.552 0.000 3.127 172 C HN 0.573 nan 8.230 nan 0.000 0.494 173 G N 1.650 110.270 108.800 -0.300 0.000 2.157 173 G HA2 -0.235 3.725 3.960 0.000 0.000 0.239 173 G HA3 -0.235 3.725 3.960 0.000 0.000 0.239 173 G C 0.289 175.022 174.900 -0.279 0.000 0.982 173 G CA 0.005 44.882 45.100 -0.372 0.000 0.650 173 G HN 0.647 nan 8.290 nan 0.000 0.527 174 R N 0.534 120.914 120.500 -0.200 0.000 2.523 174 R HA 0.170 4.510 4.340 0.000 0.000 0.281 174 R C -0.383 175.849 176.300 -0.114 0.000 0.969 174 R CA 0.693 56.713 56.100 -0.134 0.000 1.093 174 R CB 0.084 30.322 30.300 -0.103 0.000 0.917 174 R HN 0.182 nan 8.270 nan 0.000 0.408 175 N N 5.603 124.256 118.700 -0.079 0.000 2.710 175 N HA 0.193 4.933 4.740 0.000 0.000 0.244 175 N C -2.415 173.113 175.510 0.030 0.000 1.321 175 N CA -1.614 51.416 53.050 -0.034 0.000 0.758 175 N CB 1.685 40.131 38.487 -0.068 0.000 1.284 175 N HN 0.364 nan 8.380 nan 0.000 0.530 176 P HA -0.073 nan 4.420 nan 0.000 0.218 176 P C 1.078 178.393 177.300 0.025 0.000 1.148 176 P CA 1.166 64.268 63.100 0.003 0.000 0.822 176 P CB 0.437 32.132 31.700 -0.007 0.000 0.784 177 A N -1.369 121.484 122.820 0.054 0.000 1.898 177 A HA -0.194 4.126 4.320 0.000 0.000 0.216 177 A C 2.077 179.734 177.584 0.121 0.000 1.181 177 A CA 1.251 53.332 52.037 0.073 0.000 0.620 177 A CB -1.738 17.311 19.000 0.081 0.000 0.819 177 A HN 0.137 nan 8.150 nan 0.000 0.442 178 F N 0.744 120.715 119.950 0.035 0.000 2.113 178 F HA -0.095 4.433 4.527 0.000 0.000 0.297 178 F C 1.913 177.729 175.800 0.028 0.000 1.103 178 F CA 1.440 59.486 58.000 0.077 0.000 1.248 178 F CB -0.325 38.720 39.000 0.074 0.000 0.999 178 F HN 0.126 nan 8.300 nan 0.000 0.475 179 L N -0.002 121.200 121.223 -0.034 0.000 2.079 179 L HA -0.250 4.090 4.340 0.000 0.000 0.210 179 L C 2.736 179.508 176.870 -0.163 0.000 1.081 179 L CA 1.616 56.370 54.840 -0.144 0.000 0.752 179 L CB -0.779 41.230 42.059 -0.083 0.000 0.896 179 L HN 0.147 nan 8.230 nan 0.000 0.433 180 R N 0.548 120.987 120.500 -0.102 0.000 2.075 180 R HA -0.160 4.180 4.340 0.000 0.000 0.232 180 R C 2.064 178.301 176.300 -0.105 0.000 1.126 180 R CA 1.409 57.462 56.100 -0.079 0.000 0.963 180 R CB -0.031 30.248 30.300 -0.036 0.000 0.858 180 R HN 0.448 nan 8.270 nan 0.000 0.435 181 E N -0.169 119.945 120.200 -0.144 0.000 2.051 181 E HA -0.164 4.186 4.350 0.000 0.000 0.192 181 E C 1.999 178.476 176.600 -0.205 0.000 0.991 181 E CA 1.567 57.879 56.400 -0.147 0.000 0.799 181 E CB -0.003 29.614 29.700 -0.137 0.000 0.748 181 E HN 0.145 nan 8.360 nan 0.000 0.449 182 V N 0.923 120.631 119.914 -0.343 0.000 2.407 182 V HA -0.258 3.862 4.120 0.000 0.000 0.248 182 V C 2.430 178.455 176.094 -0.115 0.000 1.055 182 V CA 1.939 64.087 62.300 -0.254 0.000 1.049 182 V CB -0.407 31.240 31.823 -0.292 0.000 0.662 182 V HN 0.256 nan 8.190 nan 0.000 0.455 183 S N -0.571 115.066 115.700 -0.105 0.000 2.371 183 S HA -0.183 4.287 4.470 0.000 0.000 0.224 183 S C 1.936 176.508 174.600 -0.046 0.000 1.029 183 S CA 1.564 59.729 58.200 -0.057 0.000 0.978 183 S CB -0.203 62.962 63.200 -0.058 0.000 0.833 183 S HN 0.724 nan 8.310 nan 0.000 0.466 184 E N 0.637 120.805 120.200 -0.054 0.000 2.152 184 E HA 0.002 4.352 4.350 0.000 0.000 0.192 184 E C 2.125 178.705 176.600 -0.034 0.000 0.983 184 E CA 0.880 57.258 56.400 -0.037 0.000 0.818 184 E CB -0.196 29.485 29.700 -0.033 0.000 0.758 184 E HN 0.623 nan 8.360 nan 0.000 0.467 185 A N 1.005 123.798 122.820 -0.045 0.000 2.123 185 A HA -0.059 4.261 4.320 0.000 0.000 0.214 185 A C 2.147 179.712 177.584 -0.030 0.000 1.152 185 A CA 1.523 53.537 52.037 -0.038 0.000 0.728 185 A CB -0.175 18.795 19.000 -0.050 0.000 0.814 185 A HN 0.339 nan 8.150 nan 0.000 0.464 186 T N -7.081 107.456 114.554 -0.028 0.000 3.010 186 T HA 0.441 4.791 4.350 0.000 0.000 0.252 186 T C 1.431 176.123 174.700 -0.013 0.000 0.963 186 T CA 1.114 63.202 62.100 -0.019 0.000 0.952 186 T CB 0.371 69.232 68.868 -0.013 0.000 1.182 186 T HN 1.576 nan 8.240 nan 0.000 0.495 187 G N 1.317 110.110 108.800 -0.012 0.000 2.195 187 G HA2 -0.153 3.808 3.960 0.000 0.000 0.224 187 G HA3 -0.153 3.808 3.960 0.000 0.000 0.224 187 G C -0.154 174.744 174.900 -0.002 0.000 0.990 187 G CA -0.048 45.047 45.100 -0.008 0.000 0.639 187 G HN 0.771 nan 8.290 nan 0.000 0.514 188 L N 1.791 123.017 121.223 0.005 0.000 2.455 188 L HA 0.573 4.913 4.340 0.000 0.000 0.272 188 L C 0.587 177.460 176.870 0.005 0.000 1.174 188 L CA 0.101 54.954 54.840 0.020 0.000 0.869 188 L CB 0.601 42.695 42.059 0.058 0.000 1.130 188 L HN 0.359 nan 8.230 nan 0.000 0.474 189 Q N 5.413 125.213 119.800 -0.001 0.000 2.267 189 Q HA 0.565 4.905 4.340 0.000 0.000 0.255 189 Q C -1.091 174.887 176.000 -0.038 0.000 0.923 189 Q CA 0.048 55.839 55.803 -0.020 0.000 0.925 189 Q CB 1.553 30.280 28.738 -0.019 0.000 1.195 189 Q HN 0.597 nan 8.270 nan 0.000 0.417 190 I N 3.045 123.579 120.570 -0.060 0.000 2.533 190 I HA 0.296 4.466 4.170 0.000 0.000 0.290 190 I C -1.187 174.864 176.117 -0.109 0.000 1.056 190 I CA -0.904 60.337 61.300 -0.098 0.000 1.057 190 I CB 1.463 39.396 38.000 -0.112 0.000 1.240 190 I HN 0.311 nan 8.210 nan 0.000 0.423 191 L N 6.020 127.155 121.223 -0.147 0.000 2.322 191 L HA 0.569 4.909 4.340 0.000 0.000 0.279 191 L C 0.032 176.815 176.870 -0.144 0.000 1.036 191 L CA -0.217 54.542 54.840 -0.135 0.000 0.807 191 L CB 1.491 43.445 42.059 -0.175 0.000 1.226 191 L HN 0.772 nan 8.230 nan 0.000 0.433 192 C N 0.590 119.829 119.300 -0.102 0.000 2.505 192 C HA 1.008 5.468 4.460 0.000 0.000 0.358 192 C C 0.273 175.220 174.990 -0.073 0.000 1.226 192 C CA -0.833 58.125 59.018 -0.100 0.000 1.900 192 C CB 1.063 28.758 27.740 -0.075 0.000 2.306 192 C HN 0.968 nan 8.230 nan 0.000 0.512 193 A N 0.481 123.261 122.820 -0.067 0.000 2.288 193 A HA 0.868 5.188 4.320 0.000 0.000 0.328 193 A C -0.166 177.416 177.584 -0.003 0.000 1.123 193 A CA -0.281 51.735 52.037 -0.035 0.000 0.861 193 A CB 1.166 20.137 19.000 -0.048 0.000 1.272 193 A HN 1.357 nan 8.150 nan 0.000 0.490 194 T N -0.950 113.618 114.554 0.025 0.000 2.879 194 T HA 0.674 5.025 4.350 0.000 0.000 0.290 194 T C -0.311 174.451 174.700 0.103 0.000 0.993 194 T CA 0.522 62.660 62.100 0.064 0.000 0.975 194 T CB 0.820 69.724 68.868 0.060 0.000 0.981 194 T HN 2.371 nan 8.240 nan 0.000 0.439 195 G N 2.932 111.838 108.800 0.177 0.000 2.352 195 G HA2 0.395 4.355 3.960 0.000 0.000 0.302 195 G HA3 0.395 4.355 3.960 0.000 0.000 0.302 195 G C -2.253 172.816 174.900 0.282 0.000 1.370 195 G CA -0.833 44.413 45.100 0.244 0.000 0.918 195 G HN 0.579 nan 8.290 nan 0.000 0.610 196 F N -0.363 119.492 119.950 -0.158 0.000 2.538 196 F HA 0.725 5.253 4.527 0.000 0.000 0.325 196 F C 0.366 176.117 175.800 -0.082 0.000 1.066 196 F CA -0.948 56.940 58.000 -0.187 0.000 0.946 196 F CB 1.696 40.409 39.000 -0.478 0.000 1.199 196 F HN 0.582 nan 8.300 nan 0.000 0.473 197 Y N 1.854 122.178 120.300 0.040 0.000 2.258 197 Y HA 0.162 4.712 4.550 0.000 0.000 0.345 197 Y C 0.072 176.065 175.900 0.154 0.000 1.303 197 Y CA -1.192 56.961 58.100 0.089 0.000 1.537 197 Y CB 0.183 38.696 38.460 0.087 0.000 1.383 197 Y HN 0.494 nan 8.280 nan 0.000 0.606 198 Y N 0.018 120.067 120.300 -0.420 0.000 2.330 198 Y HA 0.186 4.736 4.550 0.000 0.000 0.341 198 Y C 1.497 177.360 175.900 -0.061 0.000 1.278 198 Y CA -0.409 57.569 58.100 -0.203 0.000 1.453 198 Y CB 0.170 38.453 38.460 -0.296 0.000 1.342 198 Y HN 0.765 nan 8.280 nan 0.000 0.590 199 E N 1.278 121.501 120.200 0.039 0.000 2.160 199 E HA -0.140 4.210 4.350 0.000 0.000 0.195 199 E C 2.099 178.493 176.600 -0.344 0.000 0.991 199 E CA 1.396 57.715 56.400 -0.134 0.000 0.810 199 E CB -0.554 29.162 29.700 0.028 0.000 0.742 199 E HN 1.103 nan 8.360 nan 0.000 0.466 200 G N -0.141 108.329 108.800 -0.549 0.000 2.471 200 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 200 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 200 G C 1.100 175.678 174.900 -0.536 0.000 1.125 200 G CA 0.690 45.523 45.100 -0.445 0.000 0.775 200 G HN 0.287 nan 8.290 nan 0.000 0.548 201 E N -1.084 118.599 120.200 -0.863 0.000 2.702 201 E HA 0.191 4.541 4.350 0.000 0.000 0.225 201 E C 1.318 177.929 176.600 0.018 0.000 0.942 201 E CA -0.217 56.005 56.400 -0.296 0.000 1.210 201 E CB 1.070 30.745 29.700 -0.041 0.000 1.143 201 E HN 0.275 nan 8.360 nan 0.000 0.544 202 G N 0.914 109.674 108.800 -0.066 0.000 2.588 202 G HA2 0.419 4.379 3.960 0.000 0.000 0.281 202 G HA3 0.419 4.379 3.960 0.000 0.000 0.281 202 G C -0.179 174.792 174.900 0.118 0.000 1.236 202 G CA -0.206 44.998 45.100 0.173 0.000 0.969 202 G HN 0.137 nan 8.290 nan 0.000 0.504 203 A N 0.063 122.993 122.820 0.184 0.000 2.923 203 A HA 0.463 4.783 4.320 0.000 0.000 0.306 203 A C 1.420 179.189 177.584 0.309 0.000 1.542 203 A CA 0.351 52.491 52.037 0.173 0.000 1.225 203 A CB -0.449 18.634 19.000 0.138 0.000 1.147 203 A HN 0.979 nan 8.150 nan 0.000 0.542 204 T N -1.718 112.922 114.554 0.143 0.000 3.081 204 T HA -0.062 4.288 4.350 0.000 0.000 0.255 204 T C 1.513 176.296 174.700 0.138 0.000 1.113 204 T CA 1.483 63.610 62.100 0.045 0.000 1.082 204 T CB -0.364 68.181 68.868 -0.538 0.000 0.939 204 T HN 0.361 nan 8.240 nan 0.000 0.506 205 T N 0.938 115.579 114.554 0.144 0.000 2.746 205 T HA -0.071 4.279 4.350 0.000 0.000 0.267 205 T C 1.327 176.174 174.700 0.243 0.000 1.039 205 T CA 1.459 63.644 62.100 0.143 0.000 1.142 205 T CB -0.635 68.278 68.868 0.075 0.000 0.866 205 T HN 0.523 nan 8.240 nan 0.000 0.444 206 Y N 1.247 121.640 120.300 0.155 0.000 2.030 206 Y HA -0.204 4.346 4.550 0.000 0.000 0.274 206 Y C 1.889 177.853 175.900 0.107 0.000 1.153 206 Y CA 1.294 59.462 58.100 0.113 0.000 1.115 206 Y CB -0.670 37.798 38.460 0.014 0.000 0.969 206 Y HN 0.150 nan 8.280 nan 0.000 0.488 207 F N 0.538 120.675 119.950 0.313 0.000 2.407 207 F HA -0.052 4.475 4.527 0.000 0.000 0.299 207 F C 2.187 178.090 175.800 0.170 0.000 1.097 207 F CA 1.246 59.321 58.000 0.125 0.000 1.422 207 F CB -0.386 38.724 39.000 0.184 0.000 1.067 207 F HN 0.033 nan 8.300 nan 0.000 0.539 208 K N -0.890 119.765 120.400 0.426 0.000 2.148 208 K HA -0.174 4.146 4.320 0.000 0.000 0.204 208 K C 2.013 178.736 176.600 0.204 0.000 1.050 208 K CA 1.241 57.709 56.287 0.302 0.000 0.942 208 K CB -0.420 32.204 32.500 0.206 0.000 0.724 208 K HN 0.218 nan 8.250 nan 0.000 0.446 209 F N 2.343 122.291 119.950 -0.003 0.000 2.084 209 F HA -0.138 4.390 4.527 0.000 0.000 0.296 209 F C 1.991 177.722 175.800 -0.114 0.000 1.111 209 F CA 1.317 59.275 58.000 -0.071 0.000 1.224 209 F CB -0.062 38.870 39.000 -0.113 0.000 0.991 209 F HN -0.164 nan 8.300 nan 0.000 0.471 210 R N 1.043 121.286 120.500 -0.428 0.000 2.091 210 R HA -0.112 4.229 4.340 0.000 0.000 0.238 210 R C 2.412 178.562 176.300 -0.250 0.000 1.136 210 R CA 1.343 57.136 56.100 -0.512 0.000 0.959 210 R CB -1.812 28.257 30.300 -0.385 0.000 0.856 210 R HN 0.451 nan 8.270 nan 0.000 0.437 211 A N 1.233 124.006 122.820 -0.079 0.000 1.972 211 A HA -0.167 4.154 4.320 0.000 0.000 0.219 211 A C 2.333 179.885 177.584 -0.053 0.000 1.169 211 A CA 1.944 53.961 52.037 -0.033 0.000 0.635 211 A CB -0.463 18.565 19.000 0.047 0.000 0.810 211 A HN 0.486 nan 8.150 nan 0.000 0.446 212 S N -0.377 115.285 115.700 -0.062 0.000 2.414 212 S HA 0.037 4.507 4.470 0.000 0.000 0.227 212 S C 1.745 176.287 174.600 -0.097 0.000 1.022 212 S CA 1.146 59.320 58.200 -0.043 0.000 0.958 212 S CB -0.497 62.713 63.200 0.017 0.000 0.797 212 S HN 0.454 nan 8.310 nan 0.000 0.493 213 L N 0.573 121.674 121.223 -0.202 0.000 2.307 213 L HA 0.381 4.721 4.340 0.000 0.000 0.211 213 L C 1.596 178.378 176.870 -0.147 0.000 1.099 213 L CA 0.563 55.279 54.840 -0.206 0.000 0.816 213 L CB -0.493 41.350 42.059 -0.360 0.000 0.952 213 L HN 0.612 nan 8.230 nan 0.000 0.455 214 G N -1.557 107.160 108.800 -0.138 0.000 2.635 214 G HA2 0.016 3.976 3.960 0.000 0.000 0.194 214 G HA3 0.016 3.976 3.960 0.000 0.000 0.194 214 G C -1.641 173.210 174.900 -0.082 0.000 1.198 214 G CA -0.371 44.670 45.100 -0.097 0.000 0.972 214 G HN -0.153 nan 8.290 nan 0.000 0.520 215 D N 1.337 121.695 120.400 -0.071 0.000 2.483 215 D HA 0.544 5.185 4.640 0.000 0.000 0.220 215 D C 1.414 177.671 176.300 -0.071 0.000 1.173 215 D CA 0.397 54.356 54.000 -0.068 0.000 0.964 215 D CB 0.802 41.567 40.800 -0.059 0.000 1.046 215 D HN 0.512 nan 8.370 nan 0.000 0.517 216 A N 3.459 126.228 122.820 -0.085 0.000 1.930 216 A HA -0.156 4.164 4.320 0.000 0.000 0.217 216 A C 1.962 179.409 177.584 -0.229 0.000 1.175 216 A CA 1.102 53.081 52.037 -0.096 0.000 0.627 216 A CB -0.323 18.633 19.000 -0.073 0.000 0.815 216 A HN 0.623 nan 8.150 nan 0.000 0.443 217 E N 0.164 120.231 120.200 -0.223 0.000 2.058 217 E HA -0.184 4.167 4.350 0.000 0.000 0.194 217 E C 2.118 178.625 176.600 -0.154 0.000 0.997 217 E CA 1.573 57.824 56.400 -0.249 0.000 0.801 217 E CB -0.106 29.488 29.700 -0.177 0.000 0.746 217 E HN 0.568 nan 8.360 nan 0.000 0.450 218 S N 0.635 116.283 115.700 -0.087 0.000 2.382 218 S HA -0.168 4.302 4.470 0.000 0.000 0.228 218 S C 1.703 176.346 174.600 0.072 0.000 1.027 218 S CA 1.327 59.529 58.200 0.004 0.000 0.991 218 S CB -0.234 62.956 63.200 -0.016 0.000 0.823 218 S HN 0.343 nan 8.310 nan 0.000 0.469 219 E N 0.775 120.982 120.200 0.011 0.000 2.072 219 E HA -0.069 4.281 4.350 0.000 0.000 0.191 219 E C 1.960 178.565 176.600 0.008 0.000 0.985 219 E CA 0.968 57.408 56.400 0.066 0.000 0.801 219 E CB -0.281 29.513 29.700 0.156 0.000 0.750 219 E HN 0.493 nan 8.360 nan 0.000 0.452 220 I N 0.503 120.938 120.570 -0.226 0.000 2.315 220 I HA -0.263 3.908 4.170 0.000 0.000 0.248 220 I C 2.485 178.509 176.117 -0.155 0.000 1.117 220 I CA 0.980 62.035 61.300 -0.409 0.000 1.404 220 I CB -0.269 37.183 38.000 -0.915 0.000 1.071 220 I HN 0.142 nan 8.210 nan 0.000 0.419 221 Y N 2.146 122.338 120.300 -0.180 0.000 2.181 221 Y HA -0.249 4.302 4.550 0.000 0.000 0.288 221 Y C 2.312 178.186 175.900 -0.043 0.000 1.146 221 Y CA 1.682 59.723 58.100 -0.099 0.000 1.164 221 Y CB -0.292 38.112 38.460 -0.092 0.000 0.982 221 Y HN 0.182 nan 8.280 nan 0.000 0.515 222 E N 0.170 120.272 120.200 -0.163 0.000 2.106 222 E HA -0.233 4.117 4.350 0.000 0.000 0.192 222 E C 2.291 178.804 176.600 -0.145 0.000 0.984 222 E CA 1.449 57.730 56.400 -0.198 0.000 0.806 222 E CB -0.294 29.414 29.700 0.012 0.000 0.750 222 E HN 0.632 nan 8.360 nan 0.000 0.458 223 M N 0.480 120.053 119.600 -0.045 0.000 2.067 223 M HA -0.198 4.282 4.480 0.000 0.000 0.260 223 M C 2.228 178.518 176.300 -0.017 0.000 1.069 223 M CA 1.622 56.941 55.300 0.032 0.000 1.117 223 M CB -0.020 32.669 32.600 0.148 0.000 1.334 223 M HN 0.102 nan 8.290 nan 0.000 0.407 224 M N -0.599 118.966 119.600 -0.059 0.000 2.080 224 M HA -0.227 4.253 4.480 0.000 0.000 0.260 224 M C 2.423 178.648 176.300 -0.126 0.000 1.068 224 M CA 1.847 57.112 55.300 -0.059 0.000 1.109 224 M CB -0.638 31.931 32.600 -0.052 0.000 1.342 224 M HN 0.343 nan 8.290 nan 0.000 0.405 225 R N -0.187 120.146 120.500 -0.279 0.000 2.081 225 R HA -0.124 4.216 4.340 0.000 0.000 0.235 225 R C 1.943 178.153 176.300 -0.150 0.000 1.131 225 R CA 1.953 57.887 56.100 -0.278 0.000 0.960 225 R CB -0.283 29.697 30.300 -0.534 0.000 0.856 225 R HN 0.314 nan 8.270 nan 0.000 0.436 226 T N 0.935 115.412 114.554 -0.128 0.000 2.708 226 T HA -0.116 4.234 4.350 0.000 0.000 0.266 226 T C 1.439 176.120 174.700 -0.031 0.000 1.037 226 T CA 1.561 63.625 62.100 -0.060 0.000 1.146 226 T CB -0.122 68.727 68.868 -0.033 0.000 0.865 226 T HN 0.438 nan 8.240 nan 0.000 0.435 227 E N 0.368 120.557 120.200 -0.020 0.000 2.150 227 E HA -0.049 4.301 4.350 0.000 0.000 0.193 227 E C 2.282 178.877 176.600 -0.008 0.000 0.985 227 E CA 0.649 57.049 56.400 -0.001 0.000 0.814 227 E CB -0.102 29.611 29.700 0.021 0.000 0.752 227 E HN 0.269 nan 8.360 nan 0.000 0.466 228 V N 1.130 121.032 119.914 -0.020 0.000 2.407 228 V HA -0.170 3.950 4.120 0.000 0.000 0.245 228 V C 2.591 178.677 176.094 -0.014 0.000 1.041 228 V CA 2.148 64.439 62.300 -0.015 0.000 1.040 228 V CB -0.210 31.601 31.823 -0.020 0.000 0.671 228 V HN 0.462 nan 8.190 nan 0.000 0.455 229 T N -3.302 111.238 114.554 -0.023 0.000 3.044 229 T HA 0.085 4.435 4.350 0.000 0.000 0.255 229 T C 1.423 176.117 174.700 -0.010 0.000 1.073 229 T CA 0.861 62.952 62.100 -0.016 0.000 1.125 229 T CB 0.234 69.090 68.868 -0.020 0.000 0.908 229 T HN 0.531 nan 8.240 nan 0.000 0.480 230 E N 0.473 120.666 120.200 -0.012 0.000 2.279 230 E HA 0.517 4.867 4.350 0.000 0.000 0.199 230 E C 0.877 177.475 176.600 -0.002 0.000 0.893 230 E CA 0.137 56.534 56.400 -0.006 0.000 0.978 230 E CB 1.035 30.731 29.700 -0.006 0.000 0.964 230 E HN 0.582 nan 8.360 nan 0.000 0.486 231 G N 0.731 109.530 108.800 -0.001 0.000 2.350 231 G HA2 0.239 4.199 3.960 0.000 0.000 0.304 231 G HA3 0.239 4.199 3.960 0.000 0.000 0.304 231 G C -1.712 173.192 174.900 0.007 0.000 1.421 231 G CA -1.041 44.060 45.100 0.002 0.000 0.934 231 G HN 0.017 nan 8.290 nan 0.000 0.632 232 I N 1.177 121.751 120.570 0.008 0.000 2.377 232 I HA 0.502 4.672 4.170 0.000 0.000 0.293 232 I C 1.270 177.395 176.117 0.014 0.000 0.987 232 I CA 0.360 61.669 61.300 0.014 0.000 1.185 232 I CB 1.738 39.744 38.000 0.010 0.000 1.341 232 I HN 1.838 nan 8.210 nan 0.000 0.455 233 A N 4.848 127.679 122.820 0.019 0.000 2.771 233 A HA -0.157 4.163 4.320 0.000 0.000 0.294 233 A C 1.391 178.982 177.584 0.012 0.000 1.500 233 A CA 0.919 52.965 52.037 0.016 0.000 0.829 233 A CB -2.035 16.970 19.000 0.009 0.000 0.998 233 A HN 1.889 nan 8.150 nan 0.000 0.526 234 G N -2.664 106.144 108.800 0.013 0.000 2.198 234 G HA2 -0.149 3.812 3.960 0.000 0.000 0.260 234 G HA3 -0.149 3.812 3.960 0.000 0.000 0.260 234 G C 1.207 176.112 174.900 0.008 0.000 1.025 234 G CA 1.677 46.784 45.100 0.010 0.000 0.769 234 G HN 2.416 nan 8.290 nan 0.000 0.507 235 T N -3.583 110.976 114.554 0.008 0.000 3.044 235 T HA 0.448 4.799 4.350 0.000 0.000 0.250 235 T C 2.396 177.099 174.700 0.004 0.000 1.081 235 T CA 1.543 63.647 62.100 0.007 0.000 1.040 235 T CB 0.510 69.383 68.868 0.008 0.000 0.962 235 T HN 2.106 nan 8.240 nan 0.000 0.506 236 G N 1.657 110.459 108.800 0.004 0.000 2.205 236 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 236 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 236 G C 0.053 174.953 174.900 -0.000 0.000 0.980 236 G CA 0.099 45.200 45.100 0.002 0.000 0.632 236 G HN 0.657 nan 8.290 nan 0.000 0.533 237 I N 1.730 122.299 120.570 -0.001 0.000 2.396 237 I HA 0.367 4.537 4.170 0.000 0.000 0.289 237 I C 0.999 177.113 176.117 -0.005 0.000 1.056 237 I CA -0.377 60.920 61.300 -0.005 0.000 1.365 237 I CB 0.704 38.700 38.000 -0.006 0.000 1.407 237 I HN 0.077 nan 8.210 nan 0.000 0.509 238 R N 4.563 125.060 120.500 -0.006 0.000 2.598 238 R HA 0.716 5.056 4.340 0.000 0.000 0.279 238 R C -0.325 175.970 176.300 -0.008 0.000 0.984 238 R CA -0.809 55.288 56.100 -0.005 0.000 0.999 238 R CB 1.439 31.738 30.300 -0.003 0.000 1.114 238 R HN 0.701 nan 8.270 nan 0.000 0.493 239 A N 0.741 123.559 122.820 -0.005 0.000 2.366 239 A HA 0.374 4.694 4.320 0.000 0.000 0.272 239 A C 1.031 178.615 177.584 0.001 0.000 1.135 239 A CA -0.203 51.830 52.037 -0.007 0.000 0.804 239 A CB 0.610 19.611 19.000 0.002 0.000 1.064 239 A HN 0.938 nan 8.150 nan 0.000 0.499 240 G N 0.798 109.597 108.800 -0.003 0.000 3.042 240 G HA2 0.401 4.361 3.960 0.000 0.000 0.212 240 G HA3 0.401 4.361 3.960 0.000 0.000 0.212 240 G C 0.340 175.278 174.900 0.064 0.000 1.166 240 G CA 0.944 46.057 45.100 0.022 0.000 0.767 240 G HN 1.781 nan 8.290 nan 0.000 0.546 241 V N -2.722 117.219 119.914 0.045 0.000 3.178 241 V HA 0.712 4.832 4.120 0.000 0.000 0.302 241 V C -0.836 175.281 176.094 0.037 0.000 1.262 241 V CA -1.517 60.829 62.300 0.076 0.000 1.030 241 V CB 1.837 33.734 31.823 0.123 0.000 1.074 241 V HN -0.038 nan 8.190 nan 0.000 0.438 245 A N 1.068 123.986 122.820 0.163 0.000 2.547 245 A HA 0.921 5.241 4.320 0.000 0.000 0.297 245 A C -0.909 176.914 177.584 0.398 0.000 1.056 245 A CA -0.097 52.117 52.037 0.296 0.000 0.688 245 A CB 2.114 21.230 19.000 0.193 0.000 1.282 245 A HN 0.721 nan 8.150 nan 0.000 0.400 246 S N 0.495 116.408 115.700 0.354 0.000 2.667 246 S HA 0.861 5.332 4.470 0.000 0.000 0.292 246 S C 0.016 174.667 174.600 0.085 0.000 1.126 246 S CA -0.451 57.907 58.200 0.264 0.000 0.881 246 S CB 1.466 64.772 63.200 0.178 0.000 1.132 246 S HN 0.900 nan 8.310 nan 0.000 0.492 247 S N 0.434 116.217 115.700 0.137 0.000 2.655 247 S HA 0.378 4.848 4.470 0.000 0.000 0.265 247 S C 1.315 175.918 174.600 0.005 0.000 1.240 247 S CA -0.850 57.410 58.200 0.100 0.000 0.986 247 S CB 0.689 64.021 63.200 0.220 0.000 0.985 247 S HN 0.753 nan 8.310 nan 0.000 0.562 248 R N 0.756 121.257 120.500 0.002 0.000 2.062 248 R HA -0.079 4.261 4.340 0.000 0.000 0.229 248 R C 0.250 176.549 176.300 -0.003 0.000 1.128 248 R CA 1.561 57.650 56.100 -0.018 0.000 0.960 248 R CB -0.527 29.763 30.300 -0.017 0.000 0.855 248 R HN 0.585 nan 8.270 nan 0.000 0.432 249 D N -0.252 120.158 120.400 0.016 0.000 2.349 249 D HA 0.191 4.832 4.640 0.000 0.000 0.215 249 D C -0.025 176.281 176.300 0.010 0.000 1.016 249 D CA 0.676 54.683 54.000 0.011 0.000 0.870 249 D CB 0.907 41.717 40.800 0.016 0.000 0.917 249 D HN 0.334 nan 8.370 nan 0.000 0.524 250 A N -0.247 122.582 122.820 0.014 0.000 2.549 250 A HA 0.438 4.758 4.320 0.000 0.000 0.291 250 A C -1.552 176.029 177.584 -0.004 0.000 1.034 250 A CA -0.763 51.273 52.037 -0.002 0.000 0.655 250 A CB 0.315 19.318 19.000 0.005 0.000 1.299 250 A HN 0.001 nan 8.150 nan 0.000 0.427 251 I N 2.855 123.389 120.570 -0.060 0.000 2.281 251 I HA 0.265 4.436 4.170 0.000 0.000 0.293 251 I C 1.275 177.369 176.117 -0.039 0.000 1.085 251 I CA -0.141 61.094 61.300 -0.109 0.000 1.257 251 I CB 0.975 38.766 38.000 -0.348 0.000 1.430 251 I HN 0.812 nan 8.210 nan 0.000 0.489 252 T N 3.445 118.035 114.554 0.060 0.000 2.795 252 T HA 0.122 4.473 4.350 0.000 0.000 0.314 252 T C -1.718 173.050 174.700 0.113 0.000 1.069 252 T CA -1.110 61.051 62.100 0.101 0.000 1.071 252 T CB 0.845 69.814 68.868 0.169 0.000 0.988 252 T HN 0.264 nan 8.240 nan 0.000 0.543 253 P HA -0.077 nan 4.420 nan 0.000 0.215 253 P C 1.182 178.583 177.300 0.169 0.000 1.153 253 P CA 0.944 64.106 63.100 0.104 0.000 0.853 253 P CB -0.211 31.544 31.700 0.092 0.000 0.788 254 Y N 1.248 121.622 120.300 0.122 0.000 2.114 254 Y HA -0.232 4.319 4.550 0.000 0.000 0.284 254 Y C 2.119 178.220 175.900 0.335 0.000 1.143 254 Y CA 1.785 60.007 58.100 0.203 0.000 1.135 254 Y CB -0.778 37.809 38.460 0.211 0.000 0.980 254 Y HN -0.042 nan 8.280 nan 0.000 0.499 255 E N -0.058 120.364 120.200 0.370 0.000 2.085 255 E HA -0.288 4.062 4.350 0.000 0.000 0.194 255 E C 2.194 179.031 176.600 0.394 0.000 0.994 255 E CA 1.676 58.307 56.400 0.385 0.000 0.801 255 E CB -0.235 29.676 29.700 0.352 0.000 0.743 255 E HN 0.639 nan 8.360 nan 0.000 0.453 256 Q N 0.278 120.182 119.800 0.174 0.000 2.181 256 Q HA -0.181 4.159 4.340 0.000 0.000 0.205 256 Q C 2.290 178.349 176.000 0.098 0.000 0.980 256 Q CA 0.928 56.793 55.803 0.103 0.000 0.862 256 Q CB -0.159 28.576 28.738 -0.004 0.000 0.905 256 Q HN 0.347 nan 8.270 nan 0.000 0.429 257 L N -0.614 120.593 121.223 -0.027 0.000 2.043 257 L HA -0.223 4.117 4.340 0.000 0.000 0.212 257 L C 2.073 178.736 176.870 -0.345 0.000 1.075 257 L CA 1.357 56.039 54.840 -0.263 0.000 0.752 257 L CB -0.449 41.300 42.059 -0.517 0.000 0.891 257 L HN 0.202 nan 8.230 nan 0.000 0.432 258 F N -1.355 118.530 119.950 -0.109 0.000 2.206 258 F HA -0.146 4.381 4.527 0.001 0.000 0.298 258 F C 2.188 177.979 175.800 -0.015 0.000 1.090 258 F CA 1.053 58.992 58.000 -0.101 0.000 1.323 258 F CB -0.699 38.231 39.000 -0.116 0.000 1.028 258 F HN -0.123 nan 8.300 nan 0.000 0.492 259 F N 0.602 120.608 119.950 0.094 0.000 2.134 259 F HA -0.155 4.372 4.527 0.000 0.000 0.299 259 F C 2.415 178.221 175.800 0.011 0.000 1.097 259 F CA 1.387 59.421 58.000 0.055 0.000 1.264 259 F CB -0.634 38.391 39.000 0.041 0.000 1.001 259 F HN -0.176 nan 8.300 nan 0.000 0.479 260 R N -0.324 120.270 120.500 0.156 0.000 2.073 260 R HA -0.034 4.306 4.340 0.000 0.000 0.229 260 R C 2.421 178.731 176.300 0.017 0.000 1.120 260 R CA 1.084 57.216 56.100 0.055 0.000 0.967 260 R CB -0.805 29.495 30.300 0.000 0.000 0.862 260 R HN 0.268 nan 8.270 nan 0.000 0.436 261 A N 1.514 124.326 122.820 -0.014 0.000 1.902 261 A HA -0.088 4.232 4.320 0.000 0.000 0.217 261 A C 2.395 180.036 177.584 0.094 0.000 1.181 261 A CA 1.641 53.700 52.037 0.036 0.000 0.623 261 A CB -0.586 18.380 19.000 -0.056 0.000 0.818 261 A HN 0.373 nan 8.150 nan 0.000 0.443 262 A N -0.092 122.751 122.820 0.038 0.000 1.902 262 A HA 0.150 4.470 4.320 0.000 0.000 0.217 262 A C 2.499 180.104 177.584 0.034 0.000 1.181 262 A CA 2.087 54.137 52.037 0.021 0.000 0.623 262 A CB -1.020 17.952 19.000 -0.046 0.000 0.818 262 A HN 1.074 nan 8.150 nan 0.000 0.443 263 A N -0.099 122.745 122.820 0.039 0.000 1.908 263 A HA -0.200 4.120 4.320 0.000 0.000 0.218 263 A C 2.269 179.881 177.584 0.048 0.000 1.181 263 A CA 1.625 53.686 52.037 0.040 0.000 0.627 263 A CB -0.475 18.553 19.000 0.047 0.000 0.818 263 A HN 0.571 nan 8.150 nan 0.000 0.445 264 R N -0.810 119.729 120.500 0.066 0.000 2.075 264 R HA -0.058 4.282 4.340 0.000 0.000 0.232 264 R C 2.020 178.423 176.300 0.171 0.000 1.126 264 R CA 1.420 57.570 56.100 0.082 0.000 0.963 264 R CB -0.595 29.714 30.300 0.014 0.000 0.858 264 R HN 0.396 nan 8.270 nan 0.000 0.435 265 V N 1.304 121.342 119.914 0.208 0.000 2.490 265 V HA -0.229 3.891 4.120 0.000 0.000 0.250 265 V C 2.544 178.680 176.094 0.069 0.000 1.061 265 V CA 1.534 63.915 62.300 0.134 0.000 1.064 265 V CB -0.494 31.348 31.823 0.031 0.000 0.670 265 V HN 0.322 nan 8.190 nan 0.000 0.461 266 Q N 0.500 120.332 119.800 0.052 0.000 2.050 266 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 266 Q C 2.485 178.503 176.000 0.030 0.000 0.980 266 Q CA 1.784 57.604 55.803 0.028 0.000 0.840 266 Q CB -0.152 28.595 28.738 0.015 0.000 0.898 266 Q HN 0.571 nan 8.270 nan 0.000 0.424 267 R N 0.155 120.677 120.500 0.036 0.000 2.091 267 R HA -0.143 4.197 4.340 0.000 0.000 0.238 267 R C 2.172 178.494 176.300 0.035 0.000 1.136 267 R CA 1.727 57.845 56.100 0.030 0.000 0.959 267 R CB -0.075 30.240 30.300 0.026 0.000 0.856 267 R HN 0.392 nan 8.270 nan 0.000 0.437 268 E N -0.964 119.270 120.200 0.056 0.000 2.299 268 E HA -0.076 4.275 4.350 0.000 0.000 0.193 268 E C 1.460 178.085 176.600 0.041 0.000 0.998 268 E CA 1.498 57.933 56.400 0.058 0.000 0.851 268 E CB 0.324 30.085 29.700 0.101 0.000 0.795 268 E HN 0.464 nan 8.360 nan 0.000 0.492 269 T N -4.587 109.988 114.554 0.034 0.000 2.954 269 T HA 0.318 4.668 4.350 0.000 0.000 0.252 269 T C 1.591 176.300 174.700 0.016 0.000 0.983 269 T CA 0.361 62.474 62.100 0.021 0.000 0.941 269 T CB 0.941 69.818 68.868 0.014 0.000 1.141 269 T HN 0.206 nan 8.240 nan 0.000 0.500 270 G N 1.221 110.030 108.800 0.015 0.000 2.179 270 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 270 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 270 G C 0.265 175.168 174.900 0.005 0.000 0.977 270 G CA 0.089 45.193 45.100 0.007 0.000 0.641 270 G HN 0.975 nan 8.290 nan 0.000 0.533 271 V N 2.042 121.963 119.914 0.011 0.000 2.814 271 V HA 0.404 4.524 4.120 0.000 0.000 0.307 271 V C -1.137 174.962 176.094 0.007 0.000 1.089 271 V CA -0.448 61.862 62.300 0.017 0.000 1.212 271 V CB 0.945 32.779 31.823 0.018 0.000 0.912 271 V HN 0.205 nan 8.190 nan 0.000 0.497 272 P HA 0.405 nan 4.420 nan 0.000 0.274 272 P C -0.917 176.389 177.300 0.010 0.000 1.237 272 P CA -0.043 63.043 63.100 -0.022 0.000 0.793 272 P CB 0.552 32.236 31.700 -0.026 0.000 0.977 273 I N 2.014 122.572 120.570 -0.021 0.000 2.499 273 I HA 0.435 4.605 4.170 0.000 0.000 0.288 273 I C -0.007 176.112 176.117 0.003 0.000 1.048 273 I CA -0.860 60.432 61.300 -0.013 0.000 1.062 273 I CB 1.398 39.368 38.000 -0.050 0.000 1.238 273 I HN 0.239 nan 8.210 nan 0.000 0.426 274 I N 2.724 123.316 120.570 0.036 0.000 2.646 274 I HA 0.830 5.000 4.170 0.000 0.000 0.299 274 I C -0.290 175.846 176.117 0.032 0.000 1.036 274 I CA -0.294 61.046 61.300 0.066 0.000 1.074 274 I CB 2.324 40.406 38.000 0.137 0.000 1.258 274 I HN 0.586 nan 8.210 nan 0.000 0.430 275 T N 0.342 114.919 114.554 0.038 0.000 2.864 275 T HA 0.495 4.845 4.350 0.000 0.000 0.289 275 T C -1.160 173.551 174.700 0.017 0.000 1.082 275 T CA -0.606 61.519 62.100 0.043 0.000 1.009 275 T CB 1.588 70.478 68.868 0.037 0.000 1.234 275 T HN 0.937 nan 8.240 nan 0.000 0.526 276 H N 0.278 119.332 119.070 -0.027 0.000 2.505 276 H HA 0.630 5.186 4.556 0.000 0.000 0.338 276 H C -0.423 174.908 175.328 0.005 0.000 1.057 276 H CA -0.440 55.551 56.048 -0.095 0.000 1.202 276 H CB 1.438 31.345 29.762 0.242 0.000 1.466 276 H HN 0.961 nan 8.280 nan 0.000 0.499 277 T N 2.231 116.607 114.554 -0.297 0.000 2.823 277 T HA 0.242 4.592 4.350 0.000 0.000 0.279 277 T C -0.166 174.297 174.700 -0.395 0.000 0.998 277 T CA -1.129 60.874 62.100 -0.161 0.000 0.994 277 T CB 1.795 70.632 68.868 -0.052 0.000 0.960 277 T HN 0.570 nan 8.240 nan 0.000 0.448 278 Q N 1.476 121.121 119.800 -0.258 0.000 2.296 278 Q HA 0.288 4.629 4.340 0.000 0.000 0.257 278 Q C -0.098 175.808 176.000 -0.156 0.000 0.942 278 Q CA 0.163 55.819 55.803 -0.244 0.000 0.939 278 Q CB 0.260 28.827 28.738 -0.285 0.000 1.198 278 Q HN 0.854 nan 8.270 nan 0.000 0.429 279 E N 3.257 123.368 120.200 -0.148 0.000 2.360 279 E HA -0.277 4.073 4.350 0.000 0.000 0.238 279 E C 0.271 176.778 176.600 -0.156 0.000 1.186 279 E CA 0.503 56.828 56.400 -0.125 0.000 0.719 279 E CB -1.764 27.886 29.700 -0.085 0.000 1.236 279 E HN 1.131 nan 8.360 nan 0.000 0.386 280 G N 0.037 108.731 108.800 -0.175 0.000 2.198 280 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 280 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 280 G C 0.021 174.698 174.900 -0.372 0.000 1.025 280 G CA 1.005 45.944 45.100 -0.268 0.000 0.769 280 G HN 0.380 nan 8.290 nan 0.000 0.507 281 Q N -1.892 117.824 119.800 -0.141 0.000 2.451 281 Q HA 0.631 4.972 4.340 0.000 0.000 0.281 281 Q C 0.531 176.590 176.000 0.099 0.000 1.099 281 Q CA -0.963 54.819 55.803 -0.034 0.000 0.806 281 Q CB 1.482 30.179 28.738 -0.068 0.000 1.419 281 Q HN 0.130 nan 8.270 nan 0.000 0.427 282 Q N -1.275 118.614 119.800 0.149 0.000 2.385 282 Q HA -0.180 4.160 4.340 0.000 0.000 0.215 282 Q C 0.844 176.862 176.000 0.031 0.000 0.671 282 Q CA 1.135 56.978 55.803 0.067 0.000 1.335 282 Q CB -2.203 26.545 28.738 0.017 0.000 1.425 282 Q HN 1.071 nan 8.270 nan 0.000 0.781 283 G N 1.250 110.077 108.800 0.045 0.000 2.459 283 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 283 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 283 G C -1.001 173.772 174.900 -0.212 0.000 1.183 283 G CA 1.315 46.321 45.100 -0.156 0.000 0.776 283 G HN 0.389 nan 8.290 nan 0.000 0.552 284 P HA -0.080 nan 4.420 nan 0.000 0.215 284 P C 1.818 179.002 177.300 -0.194 0.000 1.157 284 P CA 1.346 64.338 63.100 -0.180 0.000 0.868 284 P CB -0.006 31.632 31.700 -0.104 0.000 0.788 285 Q N -0.453 119.274 119.800 -0.122 0.000 2.096 285 Q HA -0.190 4.151 4.340 0.000 0.000 0.204 285 Q C 2.283 178.190 176.000 -0.155 0.000 0.982 285 Q CA 1.643 57.369 55.803 -0.129 0.000 0.850 285 Q CB -0.997 27.682 28.738 -0.098 0.000 0.901 285 Q HN 0.419 nan 8.270 nan 0.000 0.422 286 Q N -0.495 119.243 119.800 -0.102 0.000 2.050 286 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 286 Q C 2.111 178.108 176.000 -0.005 0.000 0.980 286 Q CA 1.304 57.118 55.803 0.019 0.000 0.840 286 Q CB -0.279 28.561 28.738 0.170 0.000 0.898 286 Q HN 0.441 nan 8.270 nan 0.000 0.424 287 A N 1.273 124.008 122.820 -0.142 0.000 1.865 287 A HA -0.281 4.039 4.320 0.000 0.000 0.217 287 A C 1.973 179.337 177.584 -0.368 0.000 1.191 287 A CA 1.870 53.769 52.037 -0.230 0.000 0.623 287 A CB -0.645 18.177 19.000 -0.297 0.000 0.826 287 A HN 0.386 nan 8.150 nan 0.000 0.444 288 E N -0.242 119.587 120.200 -0.618 0.000 2.023 288 E HA -0.218 4.132 4.350 0.000 0.000 0.196 288 E C 1.811 178.320 176.600 -0.151 0.000 1.003 288 E CA 1.668 57.812 56.400 -0.427 0.000 0.809 288 E CB -0.535 28.984 29.700 -0.302 0.000 0.755 288 E HN 0.361 nan 8.360 nan 0.000 0.449 289 L N 0.315 121.468 121.223 -0.116 0.000 1.990 289 L HA -0.158 4.182 4.340 0.000 0.000 0.213 289 L C 2.344 179.233 176.870 0.032 0.000 1.072 289 L CA 1.865 56.678 54.840 -0.045 0.000 0.755 289 L CB -0.726 41.276 42.059 -0.094 0.000 0.889 289 L HN 0.356 nan 8.230 nan 0.000 0.432 290 L N -1.047 120.226 121.223 0.082 0.000 2.046 290 L HA -0.220 4.120 4.340 0.000 0.000 0.208 290 L C 2.506 179.402 176.870 0.043 0.000 1.077 290 L CA 1.890 56.791 54.840 0.101 0.000 0.747 290 L CB -1.148 40.975 42.059 0.107 0.000 0.896 290 L HN 0.523 nan 8.230 nan 0.000 0.432 291 T N -3.639 110.925 114.554 0.017 0.000 2.867 291 T HA -0.154 4.196 4.350 0.000 0.000 0.268 291 T C 2.005 176.722 174.700 0.028 0.000 1.057 291 T CA 1.154 63.271 62.100 0.028 0.000 1.136 291 T CB -0.504 68.395 68.868 0.052 0.000 0.874 291 T HN 0.420 nan 8.240 nan 0.000 0.466 292 S N 1.516 117.228 115.700 0.019 0.000 2.447 292 S HA 0.119 4.590 4.470 0.000 0.000 0.233 292 S C 1.809 176.418 174.600 0.015 0.000 1.006 292 S CA 0.320 58.531 58.200 0.017 0.000 0.957 292 S CB -0.836 62.368 63.200 0.007 0.000 0.773 292 S HN 0.554 nan 8.310 nan 0.000 0.507 293 L N 0.928 122.163 121.223 0.021 0.000 2.591 293 L HA 0.345 4.686 4.340 0.000 0.000 0.228 293 L C 1.772 178.652 176.870 0.017 0.000 1.133 293 L CA 0.350 55.202 54.840 0.020 0.000 0.880 293 L CB -0.402 41.679 42.059 0.037 0.000 1.033 293 L HN 0.604 nan 8.230 nan 0.000 0.450 294 G N -0.062 108.748 108.800 0.018 0.000 2.157 294 G HA2 -0.249 3.712 3.960 0.000 0.000 0.239 294 G HA3 -0.249 3.712 3.960 0.000 0.000 0.239 294 G C 0.365 175.275 174.900 0.017 0.000 0.982 294 G CA -0.043 45.066 45.100 0.015 0.000 0.650 294 G HN 0.469 nan 8.290 nan 0.000 0.527 295 A N 0.089 122.922 122.820 0.021 0.000 2.388 295 A HA 0.522 4.842 4.320 0.000 0.000 0.257 295 A C 0.406 177.997 177.584 0.013 0.000 1.095 295 A CA 0.417 52.464 52.037 0.017 0.000 0.791 295 A CB 0.433 19.445 19.000 0.020 0.000 1.029 295 A HN 0.421 nan 8.150 nan 0.000 0.489 296 D N 3.187 123.590 120.400 0.005 0.000 2.346 296 D HA 0.136 4.776 4.640 0.000 0.000 0.260 296 D C -1.106 175.192 176.300 -0.004 0.000 1.252 296 D CA -1.735 52.265 54.000 0.000 0.000 0.895 296 D CB 0.932 41.728 40.800 -0.007 0.000 1.097 296 D HN 0.239 nan 8.370 nan 0.000 0.489 297 P HA -0.153 nan 4.420 nan 0.000 0.219 297 P C 0.791 178.085 177.300 -0.009 0.000 1.146 297 P CA 0.749 63.855 63.100 0.010 0.000 0.808 297 P CB 0.176 31.895 31.700 0.032 0.000 0.779 298 A N -0.376 122.433 122.820 -0.018 0.000 2.235 298 A HA 0.001 4.321 4.320 0.000 0.000 0.208 298 A C 1.780 179.320 177.584 -0.075 0.000 1.172 298 A CA 0.615 52.631 52.037 -0.035 0.000 0.786 298 A CB -0.457 18.527 19.000 -0.026 0.000 0.804 298 A HN 0.005 nan 8.150 nan 0.000 0.479 299 R N -0.597 119.858 120.500 -0.076 0.000 2.629 299 R HA 0.420 4.760 4.340 0.000 0.000 0.386 299 R C -0.884 175.345 176.300 -0.118 0.000 1.071 299 R CA 0.099 56.128 56.100 -0.119 0.000 1.104 299 R CB 0.005 30.257 30.300 -0.080 0.000 1.370 299 R HN 0.415 nan 8.270 nan 0.000 0.574 300 I N 1.159 121.674 120.570 -0.090 0.000 2.436 300 I HA 0.397 4.567 4.170 0.000 0.000 0.289 300 I C -0.273 175.809 176.117 -0.058 0.000 1.010 300 I CA -0.529 60.733 61.300 -0.063 0.000 1.098 300 I CB 2.126 40.111 38.000 -0.026 0.000 1.266 300 I HN -0.177 nan 8.210 nan 0.000 0.434 301 M N 7.284 126.859 119.600 -0.043 0.000 2.078 301 M HA 0.475 4.955 4.480 0.000 0.000 0.320 301 M C -1.222 175.087 176.300 0.014 0.000 0.969 301 M CA -0.753 54.544 55.300 -0.005 0.000 0.929 301 M CB 0.905 33.523 32.600 0.030 0.000 1.504 301 M HN 0.356 nan 8.290 nan 0.000 0.419 302 I N 4.535 125.107 120.570 0.004 0.000 2.379 302 I HA 0.268 4.438 4.170 0.000 0.000 0.290 302 I C 0.989 177.089 176.117 -0.028 0.000 1.063 302 I CA 0.162 61.455 61.300 -0.012 0.000 1.351 302 I CB 0.066 38.044 38.000 -0.036 0.000 1.410 302 I HN 0.762 nan 8.210 nan 0.000 0.505 303 G N 4.684 113.440 108.800 -0.073 0.000 2.547 303 G HA2 0.304 4.264 3.960 0.000 0.000 0.291 303 G HA3 0.304 4.264 3.960 0.000 0.000 0.291 303 G C 0.174 174.945 174.900 -0.216 0.000 1.211 303 G CA -0.266 44.730 45.100 -0.174 0.000 0.950 303 G HN 0.792 nan 8.290 nan 0.000 0.504 304 H N -1.049 117.950 119.070 -0.118 0.000 2.731 304 H HA -0.128 4.428 4.556 0.000 0.000 0.305 304 H C 1.697 176.909 175.328 -0.193 0.000 1.132 304 H CA 0.816 56.754 56.048 -0.184 0.000 1.148 304 H CB -1.343 28.265 29.762 -0.257 0.000 1.379 304 H HN 0.337 nan 8.280 nan 0.000 0.398 305 M N 0.286 119.811 119.600 -0.126 0.000 2.476 305 M HA -0.059 4.421 4.480 0.000 0.000 0.262 305 M C 1.559 177.641 176.300 -0.363 0.000 1.079 305 M CA 1.270 56.451 55.300 -0.198 0.000 1.104 305 M CB -0.317 32.167 32.600 -0.193 0.000 1.409 305 M HN 0.326 nan 8.290 nan 0.000 0.467 306 D N -0.784 119.289 120.400 -0.545 0.000 2.371 306 D HA -0.058 4.582 4.640 0.000 0.000 0.221 306 D C 1.716 177.918 176.300 -0.163 0.000 0.986 306 D CA 0.923 54.618 54.000 -0.508 0.000 0.899 306 D CB -1.050 39.600 40.800 -0.249 0.000 0.902 306 D HN 0.345 nan 8.370 nan 0.000 0.530 307 G N -0.223 108.490 108.800 -0.145 0.000 2.679 307 G HA2 -0.177 3.784 3.960 0.000 0.000 0.212 307 G HA3 -0.177 3.784 3.960 0.000 0.000 0.212 307 G C 0.626 175.440 174.900 -0.143 0.000 1.137 307 G CA -0.111 44.911 45.100 -0.129 0.000 0.787 307 G HN 0.251 nan 8.290 nan 0.000 0.534 308 N N -0.113 118.509 118.700 -0.129 0.000 2.284 308 N HA 0.208 4.948 4.740 0.000 0.000 0.300 308 N C 0.539 176.103 175.510 0.090 0.000 1.047 308 N CA -0.031 52.911 53.050 -0.179 0.000 0.821 308 N CB 1.883 40.010 38.487 -0.599 0.000 1.337 308 N HN -0.036 nan 8.380 nan 0.000 0.482 309 T N -1.568 113.022 114.554 0.060 0.000 3.134 309 T HA 0.123 4.474 4.350 0.000 0.000 0.260 309 T C -0.038 174.743 174.700 0.136 0.000 1.027 309 T CA -0.339 61.830 62.100 0.114 0.000 0.913 309 T CB -0.067 68.830 68.868 0.048 0.000 1.046 309 T HN 0.319 nan 8.240 nan 0.000 0.553 310 D N 2.896 123.404 120.400 0.180 0.000 2.412 310 D HA 0.268 4.908 4.640 0.000 0.000 0.224 310 D C -1.329 175.169 176.300 0.331 0.000 1.093 310 D CA -2.630 51.472 54.000 0.170 0.000 0.850 310 D CB 2.066 42.925 40.800 0.098 0.000 1.046 310 D HN -0.000 nan 8.370 nan 0.000 0.507 311 P HA -0.178 nan 4.420 nan 0.000 0.220 311 P C 1.034 178.505 177.300 0.285 0.000 1.144 311 P CA 0.723 63.975 63.100 0.254 0.000 0.800 311 P CB 0.277 32.031 31.700 0.091 0.000 0.772 312 A N -0.613 122.338 122.820 0.219 0.000 1.933 312 A HA -0.209 4.111 4.320 0.000 0.000 0.218 312 A C 2.310 179.995 177.584 0.169 0.000 1.175 312 A CA 1.254 53.386 52.037 0.160 0.000 0.628 312 A CB -1.806 17.267 19.000 0.121 0.000 0.814 312 A HN 0.177 nan 8.150 nan 0.000 0.444 313 Y N 0.609 120.944 120.300 0.058 0.000 2.181 313 Y HA -0.259 4.291 4.550 0.000 0.000 0.288 313 Y C 2.326 178.142 175.900 -0.141 0.000 1.146 313 Y CA 2.377 60.434 58.100 -0.072 0.000 1.164 313 Y CB -0.456 37.903 38.460 -0.168 0.000 0.982 313 Y HN 0.537 nan 8.280 nan 0.000 0.515 314 H N -0.659 118.409 119.070 -0.002 0.000 2.333 314 H HA 0.012 4.569 4.556 0.001 0.000 0.302 314 H C 2.286 177.488 175.328 -0.209 0.000 1.075 314 H CA 1.772 57.739 56.048 -0.135 0.000 1.348 314 H CB -0.299 29.456 29.762 -0.012 0.000 1.393 314 H HN 0.206 nan 8.280 nan 0.000 0.509 315 R N 0.486 120.972 120.500 -0.022 0.000 2.091 315 R HA -0.161 4.179 4.340 0.000 0.000 0.238 315 R C 2.283 178.547 176.300 -0.060 0.000 1.136 315 R CA 1.572 57.621 56.100 -0.085 0.000 0.959 315 R CB -0.140 30.197 30.300 0.063 0.000 0.856 315 R HN 0.484 nan 8.270 nan 0.000 0.437 316 E N 0.030 120.198 120.200 -0.054 0.000 2.058 316 E HA -0.182 4.169 4.350 0.000 0.000 0.194 316 E C 1.462 178.029 176.600 -0.055 0.000 0.997 316 E CA 1.802 58.167 56.400 -0.057 0.000 0.801 316 E CB 0.104 29.778 29.700 -0.044 0.000 0.746 316 E HN 0.270 nan 8.360 nan 0.000 0.450 317 T N 1.478 115.947 114.554 -0.142 0.000 2.746 317 T HA -0.134 4.217 4.350 0.000 0.000 0.267 317 T C 1.876 176.588 174.700 0.020 0.000 1.039 317 T CA 1.130 63.183 62.100 -0.078 0.000 1.142 317 T CB -0.193 68.499 68.868 -0.293 0.000 0.866 317 T HN 0.168 nan 8.240 nan 0.000 0.444 318 L N 0.359 121.537 121.223 -0.076 0.000 2.265 318 L HA 0.009 4.349 4.340 0.000 0.000 0.215 318 L C 2.736 179.608 176.870 0.003 0.000 1.117 318 L CA 0.845 55.652 54.840 -0.054 0.000 0.782 318 L CB -0.421 41.499 42.059 -0.232 0.000 0.914 318 L HN 0.125 nan 8.230 nan 0.000 0.441 319 R N -0.773 119.692 120.500 -0.060 0.000 2.193 319 R HA -0.142 4.198 4.340 0.000 0.000 0.229 319 R C 1.834 177.990 176.300 -0.241 0.000 1.110 319 R CA 0.881 56.894 56.100 -0.144 0.000 0.988 319 R CB -0.087 30.073 30.300 -0.233 0.000 0.871 319 R HN 0.482 nan 8.270 nan 0.000 0.458 320 H N -1.536 117.530 119.070 -0.007 0.000 2.547 320 H HA 0.111 4.667 4.556 0.000 0.000 0.266 320 H C 1.303 176.633 175.328 0.003 0.000 0.988 320 H CA 0.953 56.998 56.048 -0.005 0.000 1.147 320 H CB 0.745 30.496 29.762 -0.018 0.000 1.365 320 H HN 0.510 nan 8.280 nan 0.000 0.589 321 G N 1.086 109.932 108.800 0.077 0.000 2.179 321 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 321 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 321 G C 0.715 175.648 174.900 0.056 0.000 0.977 321 G CA 0.526 45.662 45.100 0.061 0.000 0.641 321 G HN 0.435 nan 8.290 nan 0.000 0.533 322 V N -1.304 118.650 119.914 0.066 0.000 3.083 322 V HA 0.832 4.952 4.120 0.000 0.000 0.306 322 V C 0.722 176.831 176.094 0.025 0.000 1.077 322 V CA 0.125 62.445 62.300 0.034 0.000 1.073 322 V CB 1.487 33.326 31.823 0.027 0.000 1.081 322 V HN 0.459 nan 8.190 nan 0.000 0.474 323 S N 2.434 118.139 115.700 0.009 0.000 2.654 323 S HA 0.792 5.262 4.470 0.000 0.000 0.283 323 S C -0.148 174.470 174.600 0.031 0.000 1.180 323 S CA -0.409 57.804 58.200 0.023 0.000 1.021 323 S CB 1.161 64.364 63.200 0.006 0.000 1.018 323 S HN 1.014 nan 8.310 nan 0.000 0.532 324 I N -1.228 119.382 120.570 0.067 0.000 2.730 324 I HA 0.928 5.099 4.170 0.000 0.000 0.298 324 I C -0.808 175.410 176.117 0.168 0.000 1.089 324 I CA -1.294 60.057 61.300 0.084 0.000 1.041 324 I CB 1.918 39.966 38.000 0.079 0.000 1.235 324 I HN 0.591 nan 8.210 nan 0.000 0.423 325 A N 4.729 127.632 122.820 0.139 0.000 2.331 325 A HA 0.757 5.078 4.320 0.000 0.000 0.320 325 A C -1.327 176.367 177.584 0.184 0.000 1.138 325 A CA -0.358 51.799 52.037 0.201 0.000 0.790 325 A CB 0.662 19.755 19.000 0.155 0.000 1.206 325 A HN 0.601 nan 8.150 nan 0.000 0.470 326 F N 2.479 122.462 119.950 0.055 0.000 2.384 326 F HA 0.226 4.753 4.527 0.000 0.000 0.359 326 F C 0.352 176.170 175.800 0.029 0.000 1.143 326 F CA -0.744 57.285 58.000 0.050 0.000 1.216 326 F CB 0.989 40.002 39.000 0.022 0.000 1.512 326 F HN 0.671 nan 8.300 nan 0.000 0.573 327 D N -0.441 120.040 120.400 0.134 0.000 2.424 327 D HA 0.093 4.733 4.640 0.000 0.000 0.220 327 D C 0.855 177.201 176.300 0.076 0.000 1.150 327 D CA -0.018 54.038 54.000 0.094 0.000 0.831 327 D CB 0.011 40.846 40.800 0.058 0.000 0.981 327 D HN 0.348 nan 8.370 nan 0.000 0.500 328 R N 0.390 120.936 120.500 0.076 0.000 2.690 328 R HA 0.349 4.689 4.340 0.000 0.000 0.419 328 R C -0.120 176.262 176.300 0.136 0.000 1.090 328 R CA -0.495 55.653 56.100 0.079 0.000 1.064 328 R CB 0.685 30.927 30.300 -0.097 0.000 1.391 328 R HN 0.149 nan 8.270 nan 0.000 0.586 329 I N 0.746 121.416 120.570 0.167 0.000 2.668 329 I HA -0.048 4.122 4.170 0.000 0.000 0.285 329 I C 1.323 177.695 176.117 0.425 0.000 1.168 329 I CA 1.240 62.662 61.300 0.204 0.000 1.424 329 I CB 0.716 38.755 38.000 0.065 0.000 1.377 329 I HN 0.599 nan 8.210 nan 0.000 0.560 330 G N 5.178 114.218 108.800 0.400 0.000 2.307 330 G HA2 -0.230 3.730 3.960 0.000 0.000 0.210 330 G HA3 -0.230 3.730 3.960 0.000 0.000 0.210 330 G C -0.203 174.784 174.900 0.146 0.000 1.005 330 G CA -0.564 44.736 45.100 0.334 0.000 0.634 330 G HN 0.458 nan 8.290 nan 0.000 0.496 331 L N 2.656 123.882 121.223 0.006 0.000 2.282 331 L HA 0.658 4.998 4.340 0.000 0.000 0.287 331 L C 0.091 176.871 176.870 -0.150 0.000 1.075 331 L CA -0.398 54.265 54.840 -0.294 0.000 0.839 331 L CB 0.601 42.238 42.059 -0.703 0.000 1.219 331 L HN 0.356 nan 8.230 nan 0.000 0.434 332 Q N 4.075 123.818 119.800 -0.094 0.000 2.322 332 Q HA 0.551 4.891 4.340 0.000 0.000 0.265 332 Q C 0.806 176.772 176.000 -0.057 0.000 0.985 332 Q CA -0.320 55.453 55.803 -0.050 0.000 0.849 332 Q CB 1.704 30.441 28.738 -0.001 0.000 1.274 332 Q HN 0.898 nan 8.270 nan 0.000 0.449 333 G N 2.641 111.409 108.800 -0.054 0.000 2.283 333 G HA2 -0.290 3.671 3.960 0.000 0.000 0.280 333 G HA3 -0.290 3.671 3.960 0.000 0.000 0.280 333 G C -0.063 174.800 174.900 -0.062 0.000 1.029 333 G CA 0.504 45.575 45.100 -0.048 0.000 0.840 333 G HN 0.504 nan 8.290 nan 0.000 0.505 334 M N 0.930 120.472 119.600 -0.096 0.000 2.589 334 M HA 0.593 5.074 4.480 0.000 0.000 0.340 334 M C 0.825 177.072 176.300 -0.087 0.000 1.308 334 M CA -0.875 54.361 55.300 -0.106 0.000 1.332 334 M CB 0.487 32.975 32.600 -0.186 0.000 1.219 334 M HN 1.458 nan 8.290 nan 0.000 0.467 335 V N 6.274 126.154 119.914 -0.056 0.000 5.384 335 V HA -0.134 3.986 4.120 0.000 0.000 0.326 335 V C 0.893 176.956 176.094 -0.052 0.000 0.689 335 V CA 1.751 64.026 62.300 -0.042 0.000 1.241 335 V CB -1.433 30.375 31.823 -0.026 0.000 1.471 335 V HN 1.632 nan 8.190 nan 0.000 0.451 336 G N 3.399 112.168 108.800 -0.052 0.000 4.677 336 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 336 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 336 G C 0.710 175.566 174.900 -0.073 0.000 1.506 336 G CA 0.474 45.537 45.100 -0.061 0.000 1.016 336 G HN 2.188 nan 8.290 nan 0.000 0.653 337 T N 5.723 120.222 114.554 -0.092 0.000 2.720 337 T HA 0.334 4.685 4.350 0.000 0.000 0.255 337 T C -1.141 173.518 174.700 -0.069 0.000 1.021 337 T CA 0.993 63.032 62.100 -0.101 0.000 1.145 337 T CB 0.703 69.487 68.868 -0.140 0.000 1.036 337 T HN 0.525 nan 8.240 nan 0.000 0.479 338 P HA 0.293 nan 4.420 nan 0.000 0.297 338 P C -0.282 177.014 177.300 -0.006 0.000 1.307 338 P CA -0.571 62.516 63.100 -0.022 0.000 0.773 338 P CB 0.383 32.080 31.700 -0.006 0.000 1.265 339 T N -3.310 111.252 114.554 0.013 0.000 2.874 339 T HA 0.208 4.558 4.350 0.000 0.000 0.281 339 T C 0.852 175.585 174.700 0.056 0.000 0.994 339 T CA -0.377 61.740 62.100 0.029 0.000 1.015 339 T CB 0.092 68.977 68.868 0.028 0.000 1.028 339 T HN 0.160 nan 8.240 nan 0.000 0.523 340 D N 0.859 121.307 120.400 0.080 0.000 2.178 340 D HA -0.006 4.634 4.640 0.000 0.000 0.201 340 D C 2.289 178.636 176.300 0.078 0.000 0.980 340 D CA 1.436 55.500 54.000 0.107 0.000 0.842 340 D CB -0.636 40.265 40.800 0.168 0.000 0.948 340 D HN 0.744 nan 8.370 nan 0.000 0.472 341 A N 0.981 123.838 122.820 0.063 0.000 1.902 341 A HA -0.221 4.099 4.320 0.000 0.000 0.217 341 A C 2.064 179.674 177.584 0.043 0.000 1.181 341 A CA 1.504 53.568 52.037 0.045 0.000 0.623 341 A CB -0.487 18.535 19.000 0.037 0.000 0.818 341 A HN 0.221 nan 8.150 nan 0.000 0.443 342 E N -0.532 119.697 120.200 0.047 0.000 2.072 342 E HA -0.175 4.175 4.350 0.000 0.000 0.191 342 E C 2.348 178.995 176.600 0.078 0.000 0.985 342 E CA 1.030 57.460 56.400 0.050 0.000 0.801 342 E CB -0.184 29.540 29.700 0.041 0.000 0.750 342 E HN 0.538 nan 8.360 nan 0.000 0.452 343 R N 0.605 121.169 120.500 0.108 0.000 2.083 343 R HA -0.121 4.219 4.340 0.000 0.000 0.237 343 R C 2.513 178.887 176.300 0.123 0.000 1.137 343 R CA 1.127 57.347 56.100 0.200 0.000 0.951 343 R CB -0.441 29.999 30.300 0.233 0.000 0.851 343 R HN 0.186 nan 8.270 nan 0.000 0.434 344 L N 0.228 121.477 121.223 0.042 0.000 2.131 344 L HA -0.186 4.154 4.340 0.000 0.000 0.210 344 L C 2.708 179.556 176.870 -0.036 0.000 1.092 344 L CA 1.089 55.911 54.840 -0.030 0.000 0.759 344 L CB -0.466 41.581 42.059 -0.019 0.000 0.903 344 L HN 0.263 nan 8.230 nan 0.000 0.435 345 S N -0.243 115.457 115.700 0.000 0.000 2.356 345 S HA -0.149 4.321 4.470 0.000 0.000 0.223 345 S C 1.944 176.536 174.600 -0.012 0.000 1.032 345 S CA 1.451 59.650 58.200 -0.002 0.000 1.005 345 S CB -0.112 63.098 63.200 0.016 0.000 0.867 345 S HN 0.191 nan 8.310 nan 0.000 0.449 346 V N 1.777 121.694 119.914 0.006 0.000 2.427 346 V HA -0.075 4.045 4.120 0.000 0.000 0.248 346 V C 2.429 178.466 176.094 -0.096 0.000 1.051 346 V CA 1.658 63.947 62.300 -0.019 0.000 1.048 346 V CB -0.706 31.129 31.823 0.020 0.000 0.666 346 V HN 0.474 nan 8.190 nan 0.000 0.456 347 L N 0.917 122.022 121.223 -0.197 0.000 2.093 347 L HA -0.143 4.198 4.340 0.000 0.000 0.208 347 L C 2.701 179.439 176.870 -0.221 0.000 1.085 347 L CA 2.696 57.276 54.840 -0.433 0.000 0.755 347 L CB -0.823 40.860 42.059 -0.627 0.000 0.904 347 L HN 0.596 nan 8.230 nan 0.000 0.435 348 T N -5.621 108.854 114.554 -0.130 0.000 2.904 348 T HA -0.123 4.227 4.350 0.000 0.000 0.267 348 T C 1.769 176.445 174.700 -0.039 0.000 1.059 348 T CA 1.472 63.526 62.100 -0.076 0.000 1.137 348 T CB -0.915 67.921 68.868 -0.052 0.000 0.879 348 T HN 0.294 nan 8.240 nan 0.000 0.467 349 T N 2.342 116.879 114.554 -0.028 0.000 2.746 349 T HA 0.139 4.490 4.350 0.000 0.000 0.267 349 T C 1.849 176.579 174.700 0.049 0.000 1.039 349 T CA 1.050 63.155 62.100 0.009 0.000 1.142 349 T CB -0.434 68.442 68.868 0.014 0.000 0.866 349 T HN 0.307 nan 8.240 nan 0.000 0.444 350 L N 0.204 121.453 121.223 0.042 0.000 2.109 350 L HA 0.040 4.380 4.340 0.000 0.000 0.207 350 L C 2.414 179.396 176.870 0.187 0.000 1.086 350 L CA 0.906 55.846 54.840 0.167 0.000 0.760 350 L CB -0.497 41.593 42.059 0.051 0.000 0.910 350 L HN 0.240 nan 8.230 nan 0.000 0.437 351 L N -0.394 120.856 121.223 0.045 0.000 2.093 351 L HA -0.103 4.238 4.340 0.000 0.000 0.208 351 L C 2.562 179.438 176.870 0.010 0.000 1.085 351 L CA 1.247 56.100 54.840 0.021 0.000 0.755 351 L CB -0.852 41.187 42.059 -0.033 0.000 0.904 351 L HN 0.295 nan 8.230 nan 0.000 0.435 352 G N -0.762 108.042 108.800 0.008 0.000 2.509 352 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 352 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 352 G C 1.188 176.076 174.900 -0.020 0.000 1.124 352 G CA 0.213 45.309 45.100 -0.007 0.000 0.776 352 G HN 0.422 nan 8.290 nan 0.000 0.547 353 E N -0.267 119.930 120.200 -0.006 0.000 2.419 353 E HA 0.320 4.670 4.350 0.000 0.000 0.190 353 E C 1.481 177.903 176.600 -0.295 0.000 1.040 353 E CA 0.074 56.416 56.400 -0.096 0.000 0.900 353 E CB 0.158 29.866 29.700 0.013 0.000 1.054 353 E HN 0.311 nan 8.360 nan 0.000 0.462 354 G N 1.031 109.728 108.800 -0.172 0.000 2.160 354 G HA2 -0.315 3.645 3.960 0.000 0.000 0.251 354 G HA3 -0.315 3.645 3.960 0.000 0.000 0.251 354 G C 0.224 175.015 174.900 -0.182 0.000 1.008 354 G CA 0.118 45.105 45.100 -0.188 0.000 0.724 354 G HN 0.375 nan 8.290 nan 0.000 0.514 355 Y N 0.037 120.332 120.300 -0.008 0.000 2.471 355 Y HA 0.437 4.987 4.550 0.000 0.000 0.286 355 Y C 2.625 178.522 175.900 -0.005 0.000 1.188 355 Y CA 0.723 58.824 58.100 0.001 0.000 1.286 355 Y CB -0.204 38.265 38.460 0.016 0.000 1.072 355 Y HN 0.405 nan 8.280 nan 0.000 0.517 356 A N 0.151 123.032 122.820 0.103 0.000 1.958 356 A HA -0.263 4.057 4.320 0.000 0.000 0.221 356 A C 1.911 179.529 177.584 0.056 0.000 1.178 356 A CA 2.259 54.328 52.037 0.054 0.000 0.642 356 A CB -0.481 18.530 19.000 0.018 0.000 0.816 356 A HN 0.328 nan 8.150 nan 0.000 0.453 357 D N -1.058 119.378 120.400 0.061 0.000 2.309 357 D HA -0.064 4.576 4.640 0.000 0.000 0.212 357 D C 1.306 177.644 176.300 0.062 0.000 0.968 357 D CA 0.705 54.735 54.000 0.051 0.000 0.882 357 D CB -0.014 40.812 40.800 0.043 0.000 0.918 357 D HN 0.306 nan 8.370 nan 0.000 0.503 358 R N -0.285 120.272 120.500 0.095 0.000 2.565 358 R HA 0.294 4.634 4.340 0.000 0.000 0.347 358 R C -0.082 176.270 176.300 0.088 0.000 1.010 358 R CA -0.182 55.971 56.100 0.087 0.000 1.126 358 R CB 0.736 31.104 30.300 0.113 0.000 1.331 358 R HN 0.129 nan 8.270 nan 0.000 0.552 359 L N 1.429 122.701 121.223 0.083 0.000 2.322 359 L HA 0.540 4.880 4.340 0.000 0.000 0.281 359 L C -0.582 176.337 176.870 0.080 0.000 1.014 359 L CA -0.862 54.029 54.840 0.086 0.000 0.815 359 L CB 1.538 43.606 42.059 0.016 0.000 1.247 359 L HN -0.232 nan 8.230 nan 0.000 0.421 360 L N 3.889 125.190 121.223 0.130 0.000 2.333 360 L HA 0.670 5.010 4.340 0.000 0.000 0.263 360 L C -0.808 176.144 176.870 0.135 0.000 1.014 360 L CA -0.249 54.665 54.840 0.123 0.000 0.820 360 L CB 2.244 44.395 42.059 0.155 0.000 1.352 360 L HN 0.381 nan 8.230 nan 0.000 0.421 361 L N 0.489 121.763 121.223 0.085 0.000 2.408 361 L HA 0.834 5.174 4.340 0.000 0.000 0.268 361 L C -0.354 176.512 176.870 -0.007 0.000 0.986 361 L CA -0.190 54.677 54.840 0.045 0.000 0.820 361 L CB 1.983 44.023 42.059 -0.032 0.000 1.303 361 L HN 0.553 nan 8.230 nan 0.000 0.411 362 S N -1.194 114.481 115.700 -0.040 0.000 2.688 362 S HA 0.469 4.939 4.470 0.000 0.000 0.275 362 S C -0.356 174.147 174.600 -0.162 0.000 1.175 362 S CA -0.443 57.694 58.200 -0.104 0.000 0.818 362 S CB 1.209 64.468 63.200 0.098 0.000 1.157 362 S HN 0.772 nan 8.310 nan 0.000 0.482 363 H N 0.361 119.544 119.070 0.188 0.000 2.681 363 H HA 0.364 4.920 4.556 0.000 0.000 0.268 363 H C -0.030 175.509 175.328 0.352 0.000 0.967 363 H CA 0.463 56.667 56.048 0.260 0.000 1.233 363 H CB 0.257 30.154 29.762 0.224 0.000 1.445 363 H HN 0.591 nan 8.280 nan 0.000 0.494 364 D N 1.130 121.765 120.400 0.392 0.000 2.907 364 D HA -0.166 4.475 4.640 0.000 0.000 0.226 364 D C -0.206 176.370 176.300 0.460 0.000 1.141 364 D CA 0.730 54.972 54.000 0.403 0.000 0.779 364 D CB -1.255 39.705 40.800 0.267 0.000 1.095 364 D HN 0.467 nan 8.370 nan 0.000 0.430 365 S N -0.653 115.172 115.700 0.208 0.000 2.593 365 S HA 0.546 5.016 4.470 0.000 0.000 0.269 365 S C 0.623 175.106 174.600 -0.194 0.000 1.334 365 S CA -0.610 57.426 58.200 -0.273 0.000 1.015 365 S CB 1.483 64.589 63.200 -0.156 0.000 0.912 365 S HN 0.296 nan 8.310 nan 0.000 0.541 366 I N 2.041 122.340 120.570 -0.451 0.000 2.411 366 I HA 0.238 4.409 4.170 0.000 0.000 0.284 366 I C -0.140 175.922 176.117 -0.092 0.000 1.012 366 I CA -0.668 60.391 61.300 -0.402 0.000 1.119 366 I CB 1.248 38.673 38.000 -0.959 0.000 1.261 366 I HN 0.795 nan 8.210 nan 0.000 0.448 367 W N 3.079 124.264 121.300 -0.193 0.000 2.436 367 W HA -0.020 4.640 4.660 0.001 0.000 0.284 367 W C 0.952 177.508 176.519 0.061 0.000 1.225 367 W CA 0.265 57.577 57.345 -0.056 0.000 1.271 367 W CB -0.600 28.867 29.460 0.011 0.000 1.114 367 W HN 0.471 nan 8.180 nan 0.000 0.559 368 H N -2.811 116.338 119.070 0.131 0.000 3.083 368 H HA 0.242 4.798 4.556 0.000 0.000 0.339 368 H C -1.390 173.961 175.328 0.039 0.000 1.020 368 H CA -1.275 54.859 56.048 0.143 0.000 1.360 368 H CB 0.475 30.342 29.762 0.175 0.000 1.811 368 H HN -0.238 nan 8.280 nan 0.000 0.493 369 W N 5.634 126.722 121.300 -0.353 0.000 2.261 369 W HA 0.411 5.072 4.660 0.000 0.000 0.323 369 W C -0.394 175.989 176.519 -0.226 0.000 1.243 369 W CA -0.490 56.726 57.345 -0.216 0.000 1.210 369 W CB 0.708 30.084 29.460 -0.139 0.000 1.149 369 W HN 0.358 nan 8.180 nan 0.000 0.562 370 L N 3.331 124.546 121.223 -0.013 0.000 2.360 370 L HA 0.804 5.144 4.340 0.000 0.000 0.271 370 L C 1.042 177.933 176.870 0.035 0.000 1.057 370 L CA -0.231 54.526 54.840 -0.139 0.000 0.803 370 L CB 0.716 42.316 42.059 -0.766 0.000 1.207 370 L HN 0.772 nan 8.230 nan 0.000 0.445 371 G N 1.923 110.823 108.800 0.166 0.000 2.568 371 G HA2 -0.193 3.767 3.960 0.000 0.000 0.222 371 G HA3 -0.193 3.767 3.960 0.000 0.000 0.222 371 G C -0.518 174.463 174.900 0.135 0.000 1.321 371 G CA -0.681 44.546 45.100 0.213 0.000 0.893 371 G HN 0.577 nan 8.290 nan 0.000 0.569 372 R N 1.771 122.329 120.500 0.097 0.000 2.340 372 R HA 0.414 4.754 4.340 0.000 0.000 0.300 372 R C -1.675 174.620 176.300 -0.008 0.000 1.069 372 R CA -0.812 55.314 56.100 0.043 0.000 0.984 372 R CB 0.691 31.007 30.300 0.026 0.000 1.003 372 R HN 0.526 nan 8.270 nan 0.000 0.459 373 P HA 0.039 nan 4.420 nan 0.000 0.265 373 P C -2.516 174.644 177.300 -0.233 0.000 1.187 373 P CA -0.907 62.105 63.100 -0.147 0.000 0.766 373 P CB -0.025 31.615 31.700 -0.100 0.000 0.820 374 P HA 0.302 nan 4.420 nan 0.000 0.275 374 P C -0.863 176.291 177.300 -0.244 0.000 1.227 374 P CA -0.340 62.518 63.100 -0.403 0.000 0.781 374 P CB 0.571 31.839 31.700 -0.720 0.000 0.906 375 A N 4.037 126.769 122.820 -0.146 0.000 2.322 375 A HA 0.387 4.707 4.320 0.000 0.000 0.327 375 A C 0.090 177.635 177.584 -0.065 0.000 1.394 375 A CA -0.834 51.151 52.037 -0.087 0.000 0.921 375 A CB -0.312 18.654 19.000 -0.058 0.000 1.153 375 A HN 0.734 nan 8.150 nan 0.000 0.523 376 I N 5.392 125.933 120.570 -0.048 0.000 2.505 376 I HA 0.229 4.400 4.170 0.000 0.000 0.287 376 I C -1.675 174.438 176.117 -0.008 0.000 1.104 376 I CA -1.640 59.650 61.300 -0.017 0.000 1.387 376 I CB 1.082 39.093 38.000 0.018 0.000 1.404 376 I HN 0.449 nan 8.210 nan 0.000 0.528 377 P HA 0.027 nan 4.420 nan 0.000 0.270 377 P C 0.290 177.591 177.300 0.001 0.000 1.223 377 P CA -0.051 63.046 63.100 -0.005 0.000 0.785 377 P CB 0.833 32.529 31.700 -0.007 0.000 0.923 378 E N 2.439 122.639 120.200 0.001 0.000 2.048 378 E HA -0.248 4.102 4.350 0.000 0.000 0.202 378 E C 1.976 178.580 176.600 0.005 0.000 1.021 378 E CA 2.437 58.839 56.400 0.004 0.000 0.825 378 E CB -1.223 28.478 29.700 0.002 0.000 0.756 378 E HN 0.524 nan 8.360 nan 0.000 0.454 379 A N -0.148 122.673 122.820 0.003 0.000 2.139 379 A HA -0.070 4.250 4.320 0.000 0.000 0.221 379 A C 2.139 179.725 177.584 0.003 0.000 1.159 379 A CA 2.045 54.083 52.037 0.002 0.000 0.662 379 A CB -0.634 18.366 19.000 -0.001 0.000 0.796 379 A HN 0.361 nan 8.150 nan 0.000 0.463 380 A N -1.295 121.529 122.820 0.006 0.000 2.348 380 A HA 0.419 4.739 4.320 0.000 0.000 0.224 380 A C 1.629 179.226 177.584 0.023 0.000 1.227 380 A CA 0.014 52.056 52.037 0.009 0.000 0.885 380 A CB -0.122 18.882 19.000 0.007 0.000 0.933 380 A HN 0.304 nan 8.150 nan 0.000 0.506 381 L N 0.797 122.035 121.223 0.025 0.000 2.013 381 L HA -0.132 4.209 4.340 0.000 0.000 0.212 381 L C -0.252 176.643 176.870 0.043 0.000 1.073 381 L CA 2.607 57.470 54.840 0.038 0.000 0.753 381 L CB -2.244 39.833 42.059 0.029 0.000 0.890 381 L HN 0.290 nan 8.230 nan 0.000 0.432 382 P HA -0.141 nan 4.420 nan 0.000 0.218 382 P C 1.440 178.756 177.300 0.025 0.000 1.148 382 P CA 1.777 64.893 63.100 0.026 0.000 0.822 382 P CB 0.046 31.756 31.700 0.017 0.000 0.784 383 A N 0.328 123.158 122.820 0.016 0.000 1.969 383 A HA -0.073 4.248 4.320 0.000 0.000 0.218 383 A C 2.167 179.756 177.584 0.009 0.000 1.169 383 A CA 2.046 54.078 52.037 -0.009 0.000 0.635 383 A CB -1.258 17.721 19.000 -0.035 0.000 0.810 383 A HN 0.243 nan 8.150 nan 0.000 0.445 384 V N -3.100 116.863 119.914 0.083 0.000 3.578 384 V HA 0.193 4.313 4.120 0.000 0.000 0.290 384 V C 1.759 178.000 176.094 0.244 0.000 1.376 384 V CA 1.012 63.447 62.300 0.225 0.000 1.083 384 V CB -0.389 31.636 31.823 0.337 0.000 0.911 384 V HN 0.472 nan 8.190 nan 0.000 0.433 385 K N 1.123 121.604 120.400 0.136 0.000 2.044 385 K HA -0.239 4.081 4.320 0.000 0.000 0.210 385 K C 1.357 178.037 176.600 0.133 0.000 1.049 385 K CA 2.442 58.798 56.287 0.114 0.000 0.927 385 K CB -0.173 32.364 32.500 0.061 0.000 0.713 385 K HN 0.514 nan 8.250 nan 0.000 0.443 386 D N -0.827 119.588 120.400 0.026 0.000 2.328 386 D HA -0.037 4.603 4.640 0.000 0.000 0.221 386 D C -0.491 175.695 176.300 -0.190 0.000 1.072 386 D CA 0.073 53.936 54.000 -0.228 0.000 0.850 386 D CB -0.076 40.291 40.800 -0.721 0.000 0.922 386 D HN 0.319 nan 8.370 nan 0.000 0.516 387 W N 3.599 124.852 121.300 -0.080 0.000 1.606 387 W HA 0.131 4.791 4.660 0.000 0.000 0.455 387 W C -0.304 176.248 176.519 0.055 0.000 0.711 387 W CA -0.413 56.933 57.345 0.001 0.000 1.876 387 W CB -1.022 28.484 29.460 0.077 0.000 1.776 387 W HN 0.050 nan 8.180 nan 0.000 0.229 388 H N 0.948 119.978 119.070 -0.066 0.000 3.016 388 H HA 0.448 5.004 4.556 0.000 0.000 0.362 388 H C -2.322 172.719 175.328 -0.480 0.000 1.233 388 H CA -2.222 53.668 56.048 -0.263 0.000 1.124 388 H CB 1.287 30.939 29.762 -0.185 0.000 1.850 388 H HN -0.140 nan 8.280 nan 0.000 0.549 389 P HA -0.051 nan 4.420 nan 0.000 0.239 389 P C 0.377 177.449 177.300 -0.379 0.000 1.184 389 P CA 0.735 63.458 63.100 -0.628 0.000 0.760 389 P CB 0.354 31.954 31.700 -0.166 0.000 0.884 390 L N -2.276 118.919 121.223 -0.048 0.000 2.616 390 L HA 0.133 4.474 4.340 0.000 0.000 0.229 390 L C 2.544 179.531 176.870 0.195 0.000 1.110 390 L CA -0.037 54.884 54.840 0.135 0.000 0.884 390 L CB -0.901 41.278 42.059 0.200 0.000 1.115 390 L HN 0.004 nan 8.230 nan 0.000 0.481 391 H N 1.604 120.551 119.070 -0.205 0.000 2.290 391 H HA -0.163 4.393 4.556 0.000 0.000 0.298 391 H C 2.103 177.530 175.328 0.166 0.000 1.087 391 H CA 2.038 58.035 56.048 -0.085 0.000 1.291 391 H CB -0.030 29.573 29.762 -0.264 0.000 1.369 391 H HN 0.172 nan 8.280 nan 0.000 0.492 392 I N -0.484 120.277 120.570 0.319 0.000 2.127 392 I HA -0.301 3.869 4.170 0.000 0.000 0.241 392 I C 2.552 178.686 176.117 0.029 0.000 1.075 392 I CA 1.536 62.835 61.300 -0.002 0.000 1.334 392 I CB -0.410 37.540 38.000 -0.083 0.000 1.040 392 I HN 0.219 nan 8.210 nan 0.000 0.405 393 S N 0.411 116.176 115.700 0.108 0.000 2.370 393 S HA -0.203 4.267 4.470 0.000 0.000 0.226 393 S C 1.546 176.183 174.600 0.062 0.000 1.033 393 S CA 1.683 59.927 58.200 0.073 0.000 1.011 393 S CB -0.278 62.972 63.200 0.083 0.000 0.852 393 S HN 0.445 nan 8.310 nan 0.000 0.457 394 D N 0.505 120.962 120.400 0.095 0.000 2.240 394 D HA 0.035 4.675 4.640 0.000 0.000 0.206 394 D C 1.302 177.655 176.300 0.089 0.000 0.963 394 D CA 0.835 54.892 54.000 0.096 0.000 0.863 394 D CB -0.132 40.749 40.800 0.134 0.000 0.973 394 D HN 0.364 nan 8.370 nan 0.000 0.501 395 D N -0.315 120.140 120.400 0.092 0.000 2.716 395 D HA 0.051 4.691 4.640 0.000 0.000 0.273 395 D C 2.193 178.480 176.300 -0.021 0.000 1.024 395 D CA -0.085 53.959 54.000 0.074 0.000 0.944 395 D CB 0.513 41.441 40.800 0.215 0.000 1.186 395 D HN 0.042 nan 8.370 nan 0.000 0.485 396 I N 1.766 122.257 120.570 -0.131 0.000 2.193 396 I HA -0.121 4.049 4.170 0.000 0.000 0.240 396 I C 2.697 178.768 176.117 -0.076 0.000 1.084 396 I CA 0.806 62.021 61.300 -0.141 0.000 1.365 396 I CB -1.081 36.777 38.000 -0.237 0.000 1.064 396 I HN -0.021 nan 8.210 nan 0.000 0.410 397 L N 0.598 121.786 121.223 -0.057 0.000 2.042 397 L HA -0.166 4.174 4.340 0.000 0.000 0.210 397 L C -0.084 176.773 176.870 -0.022 0.000 1.076 397 L CA 1.748 56.567 54.840 -0.036 0.000 0.749 397 L CB -2.222 39.826 42.059 -0.020 0.000 0.893 397 L HN 0.178 nan 8.230 nan 0.000 0.432 398 P HA -0.154 nan 4.420 nan 0.000 0.217 398 P C 1.044 178.341 177.300 -0.005 0.000 1.150 398 P CA 1.334 64.433 63.100 -0.001 0.000 0.832 398 P CB 0.052 31.758 31.700 0.011 0.000 0.787 399 D N -0.979 119.416 120.400 -0.009 0.000 2.144 399 D HA -0.099 4.542 4.640 0.000 0.000 0.200 399 D C 1.814 178.103 176.300 -0.019 0.000 0.978 399 D CA 0.950 54.945 54.000 -0.008 0.000 0.833 399 D CB -0.603 40.193 40.800 -0.007 0.000 0.961 399 D HN 0.043 nan 8.370 nan 0.000 0.470 400 L N -0.135 121.070 121.223 -0.031 0.000 2.056 400 L HA -0.088 4.252 4.340 0.000 0.000 0.207 400 L C 2.651 179.505 176.870 -0.027 0.000 1.078 400 L CA 0.711 55.528 54.840 -0.038 0.000 0.749 400 L CB -0.312 41.715 42.059 -0.054 0.000 0.901 400 L HN -0.035 nan 8.230 nan 0.000 0.433 401 R N 0.625 121.112 120.500 -0.021 0.000 2.091 401 R HA -0.173 4.168 4.340 0.000 0.000 0.238 401 R C 2.239 178.533 176.300 -0.010 0.000 1.136 401 R CA 1.670 57.762 56.100 -0.014 0.000 0.959 401 R CB -0.779 29.515 30.300 -0.009 0.000 0.856 401 R HN 0.502 nan 8.270 nan 0.000 0.437 402 R N 0.577 121.072 120.500 -0.008 0.000 2.189 402 R HA -0.001 4.339 4.340 0.000 0.000 0.223 402 R C 1.575 177.872 176.300 -0.006 0.000 1.092 402 R CA 1.171 57.269 56.100 -0.004 0.000 0.989 402 R CB -0.200 30.100 30.300 0.000 0.000 0.876 402 R HN 0.076 nan 8.270 nan 0.000 0.457 403 R N -0.196 120.298 120.500 -0.011 0.000 2.297 403 R HA 0.115 4.455 4.340 0.000 0.000 0.197 403 R C 0.689 176.981 176.300 -0.014 0.000 0.943 403 R CA 0.623 56.716 56.100 -0.012 0.000 1.038 403 R CB 0.616 30.905 30.300 -0.018 0.000 0.957 403 R HN 0.619 nan 8.270 nan 0.000 0.484 404 G N 0.276 109.068 108.800 -0.014 0.000 2.211 404 G HA2 -0.168 3.792 3.960 0.000 0.000 0.201 404 G HA3 -0.168 3.792 3.960 0.000 0.000 0.201 404 G C 0.070 174.960 174.900 -0.017 0.000 0.997 404 G CA -0.683 44.409 45.100 -0.013 0.000 0.652 404 G HN 0.045 nan 8.290 nan 0.000 0.500 405 I N 3.088 123.645 120.570 -0.021 0.000 2.588 405 I HA 0.319 4.490 4.170 0.000 0.000 0.283 405 I C 1.498 177.603 176.117 -0.019 0.000 1.119 405 I CA 0.377 61.662 61.300 -0.025 0.000 1.419 405 I CB 0.402 38.381 38.000 -0.035 0.000 1.394 405 I HN 0.363 nan 8.210 nan 0.000 0.562 406 T N 1.446 115.989 114.554 -0.017 0.000 2.882 406 T HA 0.168 4.518 4.350 0.000 0.000 0.287 406 T C 1.045 175.738 174.700 -0.011 0.000 1.014 406 T CA -0.557 61.535 62.100 -0.013 0.000 1.049 406 T CB 1.502 70.364 68.868 -0.011 0.000 1.001 406 T HN 0.697 nan 8.240 nan 0.000 0.525 407 E N 0.446 120.642 120.200 -0.008 0.000 2.118 407 E HA -0.208 4.143 4.350 0.000 0.000 0.195 407 E C 1.937 178.535 176.600 -0.004 0.000 0.992 407 E CA 1.390 57.787 56.400 -0.005 0.000 0.804 407 E CB -0.022 29.677 29.700 -0.002 0.000 0.741 407 E HN 0.852 nan 8.360 nan 0.000 0.458 408 E N -0.065 120.132 120.200 -0.004 0.000 2.077 408 E HA -0.220 4.130 4.350 0.000 0.000 0.193 408 E C 2.198 178.796 176.600 -0.004 0.000 0.989 408 E CA 1.100 57.499 56.400 -0.003 0.000 0.800 408 E CB 0.064 29.762 29.700 -0.004 0.000 0.746 408 E HN 0.378 nan 8.360 nan 0.000 0.452 409 Q N -0.149 119.646 119.800 -0.008 0.000 2.084 409 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 409 Q C 2.286 178.279 176.000 -0.011 0.000 0.978 409 Q CA 1.267 57.064 55.803 -0.010 0.000 0.844 409 Q CB 0.107 28.835 28.738 -0.017 0.000 0.898 409 Q HN 0.168 nan 8.270 nan 0.000 0.426 410 V N 0.202 120.108 119.914 -0.013 0.000 2.358 410 V HA -0.175 3.945 4.120 0.000 0.000 0.246 410 V C 2.169 178.262 176.094 -0.002 0.000 1.047 410 V CA 1.955 64.247 62.300 -0.013 0.000 1.035 410 V CB -0.938 30.877 31.823 -0.013 0.000 0.658 410 V HN 0.528 nan 8.190 nan 0.000 0.452 411 G N -1.105 107.697 108.800 0.003 0.000 2.443 411 G HA2 -0.293 3.667 3.960 0.000 0.000 0.219 411 G HA3 -0.293 3.667 3.960 0.000 0.000 0.219 411 G C 1.498 176.407 174.900 0.015 0.000 1.131 411 G CA 0.892 45.998 45.100 0.010 0.000 0.775 411 G HN 0.492 nan 8.290 nan 0.000 0.547 412 Q N 0.193 120.000 119.800 0.011 0.000 2.079 412 Q HA 0.069 4.409 4.340 0.000 0.000 0.200 412 Q C 2.513 178.528 176.000 0.024 0.000 0.974 412 Q CA 1.335 57.148 55.803 0.017 0.000 0.840 412 Q CB -0.327 28.419 28.738 0.012 0.000 0.898 412 Q HN 0.496 nan 8.270 nan 0.000 0.430 413 M N -0.611 119.000 119.600 0.018 0.000 2.132 413 M HA -0.108 4.372 4.480 0.000 0.000 0.263 413 M C 2.028 178.353 176.300 0.041 0.000 1.065 413 M CA 2.045 57.360 55.300 0.024 0.000 1.122 413 M CB -0.331 32.269 32.600 -0.001 0.000 1.365 413 M HN 0.406 nan 8.290 nan 0.000 0.411 414 T N -3.380 111.194 114.554 0.033 0.000 3.051 414 T HA 0.118 4.468 4.350 0.000 0.000 0.255 414 T C 1.415 176.147 174.700 0.054 0.000 1.085 414 T CA 0.419 62.545 62.100 0.043 0.000 1.109 414 T CB 0.013 68.898 68.868 0.029 0.000 0.921 414 T HN 0.173 nan 8.240 nan 0.000 0.488 415 V N 0.465 120.408 119.914 0.048 0.000 3.029 415 V HA 0.387 4.507 4.120 0.000 0.000 0.230 415 V C 2.881 179.007 176.094 0.055 0.000 1.254 415 V CA 0.620 62.951 62.300 0.051 0.000 1.276 415 V CB -0.771 31.073 31.823 0.036 0.000 1.080 415 V HN 0.478 nan 8.190 nan 0.000 0.495 416 G N 1.238 110.063 108.800 0.042 0.000 2.545 416 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 416 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 416 G C 1.319 176.245 174.900 0.042 0.000 1.218 416 G CA 1.462 46.583 45.100 0.036 0.000 0.787 416 G HN 0.487 nan 8.290 nan 0.000 0.571 417 N N 1.559 120.287 118.700 0.046 0.000 2.069 417 N HA -0.058 4.682 4.740 0.000 0.000 0.191 417 N C -0.272 175.275 175.510 0.062 0.000 1.031 417 N CA 1.517 54.592 53.050 0.042 0.000 0.852 417 N CB -1.414 37.102 38.487 0.049 0.000 1.018 417 N HN 0.246 nan 8.380 nan 0.000 0.423 418 P HA -0.049 nan 4.420 nan 0.000 0.215 418 P C 1.093 178.538 177.300 0.241 0.000 1.153 418 P CA 1.613 64.892 63.100 0.299 0.000 0.853 418 P CB -0.074 31.786 31.700 0.266 0.000 0.788 419 A N -0.013 122.886 122.820 0.132 0.000 1.902 419 A HA -0.224 4.096 4.320 0.000 0.000 0.217 419 A C 2.426 180.044 177.584 0.056 0.000 1.181 419 A CA 1.484 53.578 52.037 0.095 0.000 0.623 419 A CB -1.063 17.974 19.000 0.061 0.000 0.818 419 A HN 0.001 nan 8.150 nan 0.000 0.443 420 R N -0.610 119.902 120.500 0.020 0.000 2.073 420 R HA -0.058 4.282 4.340 0.000 0.000 0.229 420 R C 1.957 178.208 176.300 -0.081 0.000 1.120 420 R CA 1.542 57.631 56.100 -0.019 0.000 0.967 420 R CB -0.636 29.652 30.300 -0.019 0.000 0.862 420 R HN 0.439 nan 8.270 nan 0.000 0.436 421 L N 0.363 121.482 121.223 -0.174 0.000 2.072 421 L HA -0.003 4.337 4.340 0.000 0.000 0.205 421 L C 1.498 178.037 176.870 -0.552 0.000 1.079 421 L CA 1.792 56.371 54.840 -0.434 0.000 0.752 421 L CB -0.733 40.910 42.059 -0.693 0.000 0.906 421 L HN 0.090 nan 8.230 nan 0.000 0.436 422 F N -1.078 118.877 119.950 0.008 0.000 2.717 422 F HA 0.401 4.928 4.527 0.000 0.000 0.297 422 F C 1.594 177.395 175.800 0.002 0.000 1.113 422 F CA -0.029 57.972 58.000 0.002 0.000 1.319 422 F CB -0.774 38.226 39.000 -0.000 0.000 1.097 422 F HN 0.042 nan 8.300 nan 0.000 0.595 423 G N 0.000 108.882 108.800 0.137 0.000 5.446 423 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 423 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 423 G CA 0.000 45.153 45.100 0.089 0.000 0.502 423 G HN 0.000 nan 8.290 nan 0.000 0.925