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 2b7o_1_B DATA FIRST_RESID -1 DATA SEQUENCE GAXNWTVDIP IDQLPSLPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAX DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDCA ETFXDNTEPH DATA SEQUENCE IRGNVRALLQ XAVVLTYGAS XPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDXINGFAPD AAAREHDPSR LVRAYANASA AXNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFX SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAX LRLSDGDDGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNXTPELAVE YVERLDPHNK PGRLTLVSRX GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPX HGNTHESXXX FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT ECLXXXXXXX XXXLAGRYET ACDPRLNTQQ DATA SEQUENCE SLELAFLVAE XLRD 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.845 174.900 -0.091 0.000 0.946 -1 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 3 W N 2.205 123.505 121.300 0.001 0.000 5.963 3 W HA -0.214 4.446 4.660 -0.000 0.000 0.400 3 W C 0.154 176.673 176.519 -0.001 0.000 1.530 3 W CA 1.273 58.619 57.345 0.001 0.000 1.004 3 W CB -2.221 27.242 29.460 0.006 0.000 2.706 3 W HN 0.145 nan 8.180 nan 0.000 1.495 4 T N -3.485 111.133 114.554 0.107 0.000 2.903 4 T HA 0.759 5.109 4.350 -0.000 0.000 0.299 4 T C -0.547 174.163 174.700 0.016 0.000 1.093 4 T CA -1.176 60.966 62.100 0.071 0.000 1.002 4 T CB 2.284 71.186 68.868 0.057 0.000 1.127 4 T HN -0.082 nan 8.240 nan 0.000 0.488 5 V N 2.571 122.493 119.914 0.012 0.000 2.407 5 V HA 0.378 4.498 4.120 -0.000 0.000 0.278 5 V C -0.542 175.548 176.094 -0.006 0.000 1.037 5 V CA -0.654 61.642 62.300 -0.007 0.000 0.900 5 V CB 1.264 33.083 31.823 -0.008 0.000 0.983 5 V HN 0.915 nan 8.190 nan 0.000 0.459 6 D N 5.658 126.051 120.400 -0.012 0.000 2.274 6 D HA 0.516 5.156 4.640 -0.000 0.000 0.239 6 D C -0.410 175.881 176.300 -0.014 0.000 1.104 6 D CA 0.033 54.026 54.000 -0.012 0.000 0.840 6 D CB 2.195 42.988 40.800 -0.012 0.000 1.100 6 D HN 0.325 nan 8.370 nan 0.000 0.477 7 I N 3.229 123.789 120.570 -0.016 0.000 2.410 7 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 7 I C -2.213 173.891 176.117 -0.021 0.000 1.009 7 I CA -1.901 59.388 61.300 -0.019 0.000 1.111 7 I CB 1.767 39.754 38.000 -0.021 0.000 1.262 7 I HN 0.005 nan 8.210 nan 0.000 0.443 8 P HA 0.379 nan 4.420 nan 0.000 0.282 8 P C 0.421 177.708 177.300 -0.022 0.000 1.262 8 P CA -0.289 62.800 63.100 -0.019 0.000 0.773 8 P CB 1.168 32.859 31.700 -0.016 0.000 0.879 9 I N 0.813 121.369 120.570 -0.024 0.000 2.585 9 I HA -0.030 4.140 4.170 -0.000 0.000 0.254 9 I C 1.138 177.242 176.117 -0.023 0.000 1.129 9 I CA 0.307 61.591 61.300 -0.027 0.000 1.455 9 I CB -0.411 37.572 38.000 -0.029 0.000 1.111 9 I HN 0.410 nan 8.210 nan 0.000 0.433 10 D N 1.877 122.266 120.400 -0.019 0.000 2.378 10 D HA -0.000 4.640 4.640 -0.000 0.000 0.238 10 D C 0.683 176.974 176.300 -0.015 0.000 1.180 10 D CA 0.767 54.757 54.000 -0.016 0.000 0.895 10 D CB 0.622 41.414 40.800 -0.013 0.000 1.192 10 D HN 0.272 nan 8.370 nan 0.000 0.438 11 Q N -0.519 119.273 119.800 -0.013 0.000 2.435 11 Q HA -0.201 4.139 4.340 -0.000 0.000 0.286 11 Q C 0.629 176.620 176.000 -0.015 0.000 1.229 11 Q CA 1.369 57.165 55.803 -0.013 0.000 0.884 11 Q CB -2.535 26.196 28.738 -0.011 0.000 1.245 11 Q HN 0.527 nan 8.270 nan 0.000 0.488 12 L N -1.247 119.966 121.223 -0.017 0.000 2.556 12 L HA 0.304 4.644 4.340 -0.000 0.000 0.226 12 L C -0.642 176.215 176.870 -0.020 0.000 1.089 12 L CA 1.029 55.857 54.840 -0.021 0.000 0.864 12 L CB 0.191 42.234 42.059 -0.026 0.000 1.067 12 L HN 0.683 nan 8.230 nan 0.000 0.477 13 P HA 0.386 nan 4.420 nan 0.000 0.343 13 P C 0.017 177.308 177.300 -0.015 0.000 1.358 13 P CA -0.089 63.000 63.100 -0.017 0.000 0.802 13 P CB 0.556 32.247 31.700 -0.014 0.000 1.886 14 S N -3.621 112.072 115.700 -0.012 0.000 2.903 14 S HA -0.086 4.384 4.470 -0.000 0.000 0.270 14 S C -0.123 174.471 174.600 -0.010 0.000 1.366 14 S CA -0.243 57.951 58.200 -0.010 0.000 0.991 14 S CB -1.907 61.287 63.200 -0.010 0.000 1.237 14 S HN 0.296 nan 8.310 nan 0.000 0.712 15 L N 3.941 125.157 121.223 -0.012 0.000 2.455 15 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 15 L C -1.289 175.577 176.870 -0.007 0.000 1.174 15 L CA -0.838 53.995 54.840 -0.011 0.000 0.869 15 L CB -0.396 41.654 42.059 -0.015 0.000 1.130 15 L HN 0.095 nan 8.230 nan 0.000 0.474 16 P HA 0.186 nan 4.420 nan 0.000 0.267 16 P C -2.503 174.797 177.300 -0.000 0.000 1.205 16 P CA -0.975 62.124 63.100 -0.002 0.000 0.765 16 P CB -0.290 31.410 31.700 -0.001 0.000 0.828 17 P HA 0.155 nan 4.420 nan 0.000 0.269 17 P C 0.104 177.406 177.300 0.004 0.000 1.209 17 P CA -0.174 62.927 63.100 0.002 0.000 0.776 17 P CB 0.407 32.108 31.700 0.001 0.000 0.876 18 L N 3.976 125.202 121.223 0.005 0.000 2.483 18 L HA 0.143 4.483 4.340 -0.000 0.000 0.276 18 L C -1.677 175.194 176.870 0.003 0.000 1.213 18 L CA -1.691 53.152 54.840 0.005 0.000 0.843 18 L CB -0.666 41.395 42.059 0.004 0.000 1.107 18 L HN 0.286 nan 8.230 nan 0.000 0.487 19 P HA -0.073 nan 4.420 nan 0.000 0.264 19 P C 0.668 177.968 177.300 -0.000 0.000 1.173 19 P CA 0.333 63.433 63.100 0.001 0.000 0.761 19 P CB 0.424 32.125 31.700 0.000 0.000 0.794 20 T N 0.914 115.468 114.554 0.000 0.000 2.684 20 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 20 T C 1.320 176.019 174.700 -0.001 0.000 1.036 20 T CA 1.909 64.009 62.100 0.000 0.000 1.148 20 T CB -0.686 68.182 68.868 0.001 0.000 0.863 20 T HN 0.625 nan 8.240 nan 0.000 0.436 21 D N 2.047 122.446 120.400 -0.003 0.000 2.117 21 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 21 D C 2.159 178.453 176.300 -0.009 0.000 0.987 21 D CA 0.954 54.951 54.000 -0.005 0.000 0.829 21 D CB -0.769 40.028 40.800 -0.005 0.000 0.961 21 D HN 0.364 nan 8.370 nan 0.000 0.460 22 L N -0.142 121.074 121.223 -0.013 0.000 2.046 22 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 22 L C 2.957 179.819 176.870 -0.014 0.000 1.077 22 L CA 0.973 55.800 54.840 -0.021 0.000 0.747 22 L CB -0.499 41.545 42.059 -0.024 0.000 0.896 22 L HN 0.023 nan 8.230 nan 0.000 0.432 23 R N 0.331 120.828 120.500 -0.005 0.000 2.080 23 R HA -0.157 4.183 4.340 -0.000 0.000 0.236 23 R C 2.266 178.569 176.300 0.005 0.000 1.137 23 R CA 2.389 58.491 56.100 0.003 0.000 0.943 23 R CB -0.842 29.460 30.300 0.004 0.000 0.846 23 R HN 0.194 nan 8.270 nan 0.000 0.431 24 T N 0.589 115.145 114.554 0.002 0.000 2.684 24 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 24 T C 1.825 176.528 174.700 0.004 0.000 1.036 24 T CA 1.621 63.723 62.100 0.004 0.000 1.148 24 T CB -0.188 68.681 68.868 0.002 0.000 0.863 24 T HN 0.308 nan 8.240 nan 0.000 0.436 25 R N 0.189 120.687 120.500 -0.003 0.000 2.092 25 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 25 R C 2.419 178.719 176.300 -0.000 0.000 1.119 25 R CA 0.853 56.949 56.100 -0.006 0.000 0.970 25 R CB -0.566 29.722 30.300 -0.021 0.000 0.864 25 R HN 0.268 nan 8.270 nan 0.000 0.440 26 L N 1.536 122.759 121.223 0.001 0.000 2.005 26 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 26 L C 1.321 178.222 176.870 0.052 0.000 1.072 26 L CA 1.972 56.827 54.840 0.024 0.000 0.744 26 L CB -0.511 41.561 42.059 0.022 0.000 0.895 26 L HN -0.014 nan 8.230 nan 0.000 0.433 27 D N 0.245 120.666 120.400 0.036 0.000 2.133 27 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 27 D C 2.208 178.527 176.300 0.031 0.000 0.997 27 D CA 1.663 55.684 54.000 0.034 0.000 0.840 27 D CB -0.360 40.454 40.800 0.023 0.000 0.947 27 D HN 0.529 nan 8.370 nan 0.000 0.452 28 A N 0.981 123.816 122.820 0.025 0.000 1.902 28 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 28 A C 2.332 179.936 177.584 0.032 0.000 1.181 28 A CA 2.378 54.429 52.037 0.023 0.000 0.623 28 A CB -0.845 18.164 19.000 0.015 0.000 0.818 28 A HN 0.242 nan 8.150 nan 0.000 0.443 29 A N -0.189 122.658 122.820 0.044 0.000 1.865 29 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 29 A C 2.085 179.709 177.584 0.067 0.000 1.191 29 A CA 1.643 53.720 52.037 0.067 0.000 0.623 29 A CB -0.689 18.372 19.000 0.101 0.000 0.826 29 A HN 0.484 nan 8.150 nan 0.000 0.444 30 L N -0.894 120.371 121.223 0.070 0.000 2.465 30 L HA -0.038 4.302 4.340 -0.000 0.000 0.224 30 L C 2.648 179.527 176.870 0.016 0.000 1.145 30 L CA 0.545 55.406 54.840 0.036 0.000 0.834 30 L CB -0.269 41.816 42.059 0.044 0.000 0.944 30 L HN 0.435 nan 8.230 nan 0.000 0.451 31 A N -0.477 122.357 122.820 0.023 0.000 2.169 31 A HA 0.015 4.335 4.320 -0.000 0.000 0.212 31 A C 1.080 178.673 177.584 0.016 0.000 1.153 31 A CA 0.213 52.261 52.037 0.017 0.000 0.756 31 A CB -0.101 18.910 19.000 0.018 0.000 0.813 31 A HN 0.217 nan 8.150 nan 0.000 0.471 32 K N 0.701 121.113 120.400 0.020 0.000 2.180 32 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 32 K C -2.590 174.023 176.600 0.022 0.000 1.014 32 K CA -1.736 54.565 56.287 0.024 0.000 0.913 32 K CB -0.025 32.495 32.500 0.034 0.000 1.008 32 K HN 0.040 nan 8.250 nan 0.000 0.490 33 P HA 0.050 nan 4.420 nan 0.000 0.271 33 P C -1.524 175.807 177.300 0.051 0.000 1.218 33 P CA -0.137 62.982 63.100 0.032 0.000 0.780 33 P CB 0.844 32.563 31.700 0.032 0.000 0.901 34 A N 2.055 124.904 122.820 0.049 0.000 2.357 34 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 34 A C -0.180 177.468 177.584 0.107 0.000 1.121 34 A CA -0.624 51.469 52.037 0.094 0.000 0.742 34 A CB 0.936 19.933 19.000 -0.004 0.000 1.181 34 A HN 0.552 nan 8.150 nan 0.000 0.454 35 A N 1.879 124.781 122.820 0.137 0.000 2.313 35 A HA 0.577 4.897 4.320 -0.000 0.000 0.261 35 A C 0.740 178.347 177.584 0.038 0.000 1.090 35 A CA -0.026 52.040 52.037 0.049 0.000 0.807 35 A CB 0.033 19.031 19.000 -0.004 0.000 1.055 35 A HN 1.265 nan 8.150 nan 0.000 0.492 36 Q N -1.327 118.464 119.800 -0.015 0.000 2.480 36 Q HA -0.150 4.189 4.340 -0.000 0.000 0.265 36 Q C -0.462 175.501 176.000 -0.060 0.000 1.072 36 Q CA 1.018 56.793 55.803 -0.046 0.000 1.018 36 Q CB -1.504 27.186 28.738 -0.081 0.000 1.433 36 Q HN 0.803 nan 8.270 nan 0.000 0.513 37 Q N 0.399 120.165 119.800 -0.057 0.000 2.299 37 Q HA 0.428 4.768 4.340 -0.000 0.000 0.246 37 Q C -1.896 173.968 176.000 -0.227 0.000 0.935 37 Q CA -1.797 53.928 55.803 -0.129 0.000 0.887 37 Q CB 0.221 28.901 28.738 -0.097 0.000 1.223 37 Q HN 0.043 nan 8.270 nan 0.000 0.439 38 P HA 0.013 nan 4.420 nan 0.000 0.267 38 P C 0.157 177.189 177.300 -0.445 0.000 1.200 38 P CA 0.159 62.858 63.100 -0.667 0.000 0.772 38 P CB 0.400 30.936 31.700 -1.940 0.000 0.855 39 T N -2.283 112.243 114.554 -0.046 0.000 3.251 39 T HA 0.221 4.571 4.350 -0.000 0.000 0.259 39 T C -0.004 174.707 174.700 0.018 0.000 0.998 39 T CA -0.745 61.292 62.100 -0.106 0.000 0.905 39 T CB -0.923 67.845 68.868 -0.166 0.000 1.067 39 T HN 0.377 nan 8.240 nan 0.000 0.569 40 W N 1.219 122.586 121.300 0.112 0.000 2.183 40 W HA 0.681 5.341 4.660 -0.000 0.000 0.348 40 W C -2.877 173.669 176.519 0.045 0.000 1.257 40 W CA -3.657 53.734 57.345 0.077 0.000 1.324 40 W CB -1.155 28.365 29.460 0.100 0.000 1.144 40 W HN -0.100 nan 8.180 nan 0.000 0.622 41 P HA 0.196 nan 4.420 nan 0.000 0.268 41 P C 0.693 178.102 177.300 0.183 0.000 1.205 41 P CA 0.314 63.527 63.100 0.188 0.000 0.771 41 P CB 0.872 32.634 31.700 0.105 0.000 0.858 42 A N 3.409 126.313 122.820 0.140 0.000 1.940 42 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 42 A C 1.778 179.397 177.584 0.059 0.000 1.176 42 A CA 1.970 54.075 52.037 0.114 0.000 0.631 42 A CB -1.015 18.035 19.000 0.082 0.000 0.814 42 A HN 0.688 nan 8.150 nan 0.000 0.446 43 D N -0.460 119.963 120.400 0.038 0.000 2.149 43 D HA -0.199 4.440 4.640 -0.000 0.000 0.201 43 D C 1.814 178.102 176.300 -0.020 0.000 0.972 43 D CA 1.506 55.512 54.000 0.009 0.000 0.835 43 D CB -0.760 40.046 40.800 0.009 0.000 0.966 43 D HN 0.626 nan 8.370 nan 0.000 0.476 44 Q N 0.538 120.318 119.800 -0.033 0.000 2.079 44 Q HA 0.033 4.372 4.340 -0.000 0.000 0.200 44 Q C 2.496 178.392 176.000 -0.173 0.000 0.974 44 Q CA 1.514 57.260 55.803 -0.097 0.000 0.840 44 Q CB -0.250 28.426 28.738 -0.104 0.000 0.898 44 Q HN 0.396 nan 8.270 nan 0.000 0.430 45 A N 1.443 124.152 122.820 -0.184 0.000 1.917 45 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 45 A C 2.014 179.547 177.584 -0.085 0.000 1.182 45 A CA 1.211 53.130 52.037 -0.196 0.000 0.633 45 A CB -0.780 18.243 19.000 0.038 0.000 0.819 45 A HN 0.409 nan 8.150 nan 0.000 0.448 46 L N -0.685 120.515 121.223 -0.038 0.000 2.056 46 L HA 0.035 4.375 4.340 -0.000 0.000 0.207 46 L C 1.749 178.592 176.870 -0.045 0.000 1.078 46 L CA 1.604 56.429 54.840 -0.024 0.000 0.749 46 L CB -1.578 40.478 42.059 -0.006 0.000 0.901 46 L HN 0.440 nan 8.230 nan 0.000 0.433 50 T N 1.497 116.015 114.554 -0.060 0.000 2.821 50 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 50 T C 1.852 176.508 174.700 -0.073 0.000 1.046 50 T CA 1.562 63.628 62.100 -0.057 0.000 1.139 50 T CB -0.045 68.797 68.868 -0.044 0.000 0.871 50 T HN -0.062 nan 8.240 nan 0.000 0.454 51 V N 1.404 121.270 119.914 -0.080 0.000 2.295 51 V HA -0.102 4.017 4.120 -0.000 0.000 0.246 51 V C 2.369 178.374 176.094 -0.147 0.000 1.049 51 V CA 1.281 63.524 62.300 -0.094 0.000 1.024 51 V CB -0.542 31.232 31.823 -0.082 0.000 0.648 51 V HN 0.325 nan 8.190 nan 0.000 0.447 52 L N -0.334 120.786 121.223 -0.172 0.000 2.291 52 L HA -0.026 4.313 4.340 -0.000 0.000 0.214 52 L C 2.287 179.014 176.870 -0.240 0.000 1.120 52 L CA 1.416 56.092 54.840 -0.273 0.000 0.799 52 L CB -1.027 40.890 42.059 -0.236 0.000 0.925 52 L HN 0.414 nan 8.230 nan 0.000 0.446 53 E N -1.112 118.997 120.200 -0.150 0.000 2.338 53 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 53 E C 1.510 178.049 176.600 -0.103 0.000 1.007 53 E CA 1.082 57.416 56.400 -0.110 0.000 0.849 53 E CB 0.124 29.782 29.700 -0.069 0.000 0.774 53 E HN 0.514 nan 8.360 nan 0.000 0.506 54 S N -0.583 115.045 115.700 -0.119 0.000 2.629 54 S HA 0.116 4.586 4.470 -0.000 0.000 0.236 54 S C 0.598 175.133 174.600 -0.107 0.000 1.010 54 S CA -0.528 57.617 58.200 -0.091 0.000 0.981 54 S CB -0.122 63.039 63.200 -0.066 0.000 0.919 54 S HN 0.066 nan 8.310 nan 0.000 0.514 55 V N -0.435 119.364 119.914 -0.191 0.000 3.003 55 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 55 V C -2.760 173.292 176.094 -0.070 0.000 1.078 55 V CA -2.190 59.997 62.300 -0.188 0.000 1.083 55 V CB -0.677 30.828 31.823 -0.530 0.000 1.039 55 V HN 0.032 nan 8.190 nan 0.000 0.481 56 P HA 0.241 nan 4.420 nan 0.000 0.265 56 P C -2.469 174.925 177.300 0.157 0.000 1.193 56 P CA -0.580 62.577 63.100 0.095 0.000 0.765 56 P CB -0.342 31.427 31.700 0.115 0.000 0.823 57 P HA 0.016 nan 4.420 nan 0.000 0.274 57 P C 0.638 178.027 177.300 0.148 0.000 1.246 57 P CA -0.171 62.996 63.100 0.113 0.000 0.795 57 P CB 0.851 32.579 31.700 0.046 0.000 1.006 58 V N -0.046 119.961 119.914 0.156 0.000 2.453 58 V HA -0.063 4.057 4.120 -0.000 0.000 0.247 58 V C 1.553 177.663 176.094 0.026 0.000 1.048 58 V CA 2.358 64.717 62.300 0.099 0.000 1.049 58 V CB -1.127 30.768 31.823 0.121 0.000 0.672 58 V HN 0.827 nan 8.190 nan 0.000 0.457 59 T N -1.596 112.947 114.554 -0.018 0.000 2.888 59 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 59 T C -0.743 173.948 174.700 -0.015 0.000 1.063 59 T CA -0.216 61.839 62.100 -0.074 0.000 1.010 59 T CB 2.103 70.751 68.868 -0.368 0.000 1.214 59 T HN 0.324 nan 8.240 nan 0.000 0.533 60 V N -1.840 118.078 119.914 0.007 0.000 2.864 60 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 60 V C -2.360 173.666 176.094 -0.113 0.000 1.073 60 V CA -2.607 59.665 62.300 -0.046 0.000 0.956 60 V CB 1.417 33.224 31.823 -0.028 0.000 1.023 60 V HN 0.612 nan 8.190 nan 0.000 0.435 61 P HA -0.156 nan 4.420 nan 0.000 0.216 61 P C 1.981 179.087 177.300 -0.323 0.000 1.153 61 P CA 2.490 65.169 63.100 -0.702 0.000 0.858 61 P CB 0.048 31.099 31.700 -1.081 0.000 0.789 62 S N -0.400 115.199 115.700 -0.168 0.000 2.400 62 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 62 S C 1.824 176.444 174.600 0.034 0.000 1.025 62 S CA 1.309 59.478 58.200 -0.052 0.000 0.993 62 S CB -1.192 61.989 63.200 -0.032 0.000 0.808 62 S HN 0.265 nan 8.310 nan 0.000 0.478 63 E N 0.983 121.238 120.200 0.091 0.000 2.152 63 E HA 0.071 4.421 4.350 -0.000 0.000 0.192 63 E C 1.965 178.712 176.600 0.245 0.000 0.983 63 E CA 1.132 57.660 56.400 0.212 0.000 0.818 63 E CB -0.296 29.609 29.700 0.342 0.000 0.758 63 E HN 0.599 nan 8.360 nan 0.000 0.467 64 I N 0.894 121.601 120.570 0.229 0.000 2.286 64 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 64 I C 2.647 178.856 176.117 0.154 0.000 1.104 64 I CA 0.653 62.092 61.300 0.231 0.000 1.397 64 I CB -0.267 37.925 38.000 0.320 0.000 1.072 64 I HN 0.079 nan 8.210 nan 0.000 0.417 65 V N 0.262 120.262 119.914 0.144 0.000 2.427 65 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 65 V C 2.572 178.699 176.094 0.054 0.000 1.051 65 V CA 1.663 64.031 62.300 0.113 0.000 1.048 65 V CB -0.678 31.215 31.823 0.115 0.000 0.666 65 V HN 0.375 nan 8.190 nan 0.000 0.456 66 R N -0.466 120.068 120.500 0.056 0.000 2.083 66 R HA -0.146 4.193 4.340 -0.000 0.000 0.237 66 R C 2.317 178.608 176.300 -0.014 0.000 1.137 66 R CA 2.159 58.288 56.100 0.049 0.000 0.951 66 R CB -0.507 29.853 30.300 0.099 0.000 0.851 66 R HN 0.585 nan 8.270 nan 0.000 0.434 67 L N 1.385 122.534 121.223 -0.123 0.000 2.042 67 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 67 L C 2.378 179.122 176.870 -0.209 0.000 1.076 67 L CA 2.119 56.711 54.840 -0.414 0.000 0.749 67 L CB -0.730 40.901 42.059 -0.713 0.000 0.893 67 L HN 0.244 nan 8.230 nan 0.000 0.432 68 Q N -0.016 119.729 119.800 -0.093 0.000 2.084 68 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 68 Q C 2.035 178.012 176.000 -0.038 0.000 0.978 68 Q CA 2.209 57.983 55.803 -0.049 0.000 0.844 68 Q CB -0.267 28.471 28.738 0.000 0.000 0.898 68 Q HN 0.676 nan 8.270 nan 0.000 0.426 69 E N -0.165 120.021 120.200 -0.023 0.000 2.085 69 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 69 E C 2.176 178.767 176.600 -0.016 0.000 0.994 69 E CA 1.465 57.859 56.400 -0.011 0.000 0.801 69 E CB -0.079 29.624 29.700 0.005 0.000 0.743 69 E HN 0.548 nan 8.360 nan 0.000 0.453 70 Q N -0.085 119.697 119.800 -0.029 0.000 2.172 70 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 70 Q C 1.997 177.978 176.000 -0.032 0.000 0.964 70 Q CA 0.586 56.377 55.803 -0.020 0.000 0.855 70 Q CB 0.088 28.822 28.738 -0.008 0.000 0.918 70 Q HN 0.164 nan 8.270 nan 0.000 0.444 71 L N 0.355 121.539 121.223 -0.066 0.000 2.156 71 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 71 L C 2.196 179.045 176.870 -0.035 0.000 1.095 71 L CA 1.470 56.272 54.840 -0.062 0.000 0.770 71 L CB -1.195 40.810 42.059 -0.090 0.000 0.914 71 L HN 0.136 nan 8.230 nan 0.000 0.439 72 A N -1.315 121.488 122.820 -0.028 0.000 1.902 72 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 72 A C 2.148 179.725 177.584 -0.011 0.000 1.181 72 A CA 1.128 53.154 52.037 -0.017 0.000 0.623 72 A CB -0.309 18.683 19.000 -0.014 0.000 0.818 72 A HN 0.409 nan 8.150 nan 0.000 0.443 73 Q N -0.139 119.657 119.800 -0.007 0.000 2.096 73 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 73 Q C 2.353 178.354 176.000 0.003 0.000 0.982 73 Q CA 1.693 57.494 55.803 -0.003 0.000 0.850 73 Q CB -0.940 27.802 28.738 0.007 0.000 0.901 73 Q HN 0.495 nan 8.270 nan 0.000 0.422 74 V N 1.357 121.288 119.914 0.028 0.000 2.287 74 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 74 V C 2.426 178.587 176.094 0.111 0.000 1.053 74 V CA 1.876 64.229 62.300 0.089 0.000 1.027 74 V CB -1.193 30.660 31.823 0.050 0.000 0.646 74 V HN 0.349 nan 8.190 nan 0.000 0.447 75 A N -0.254 122.592 122.820 0.044 0.000 1.933 75 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 75 A C 2.144 179.751 177.584 0.037 0.000 1.175 75 A CA 1.757 53.818 52.037 0.040 0.000 0.628 75 A CB -0.419 18.576 19.000 -0.009 0.000 0.814 75 A HN 0.587 nan 8.150 nan 0.000 0.444 76 K N -1.196 119.197 120.400 -0.012 0.000 2.487 76 K HA 0.222 4.542 4.320 -0.000 0.000 0.192 76 K C 0.925 177.441 176.600 -0.140 0.000 1.027 76 K CA 0.434 56.694 56.287 -0.044 0.000 1.054 76 K CB -0.136 32.342 32.500 -0.036 0.000 0.824 76 K HN 0.671 nan 8.250 nan 0.000 0.510 77 G N 1.867 110.475 108.800 -0.320 0.000 2.136 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 77 G C 0.211 174.774 174.900 -0.562 0.000 0.989 77 G CA 0.149 44.736 45.100 -0.855 0.000 0.682 77 G HN 0.482 nan 8.290 nan 0.000 0.522 78 E N -0.564 119.478 120.200 -0.263 0.000 2.583 78 E HA 0.570 4.920 4.350 -0.000 0.000 0.213 78 E C 0.715 177.319 176.600 0.005 0.000 0.989 78 E CA 0.521 56.865 56.400 -0.095 0.000 0.991 78 E CB 0.931 30.598 29.700 -0.055 0.000 1.040 78 E HN 0.983 nan 8.360 nan 0.000 0.481 79 A N 0.737 123.602 122.820 0.075 0.000 2.599 79 A HA 0.657 4.977 4.320 -0.000 0.000 0.290 79 A C -2.103 175.698 177.584 0.361 0.000 1.101 79 A CA -0.648 51.496 52.037 0.178 0.000 0.674 79 A CB 1.153 20.219 19.000 0.110 0.000 1.277 79 A HN 0.114 nan 8.150 nan 0.000 0.419 80 F N 0.142 120.176 119.950 0.141 0.000 2.551 80 F HA 0.692 5.219 4.527 -0.000 0.000 0.316 80 F C -1.120 174.719 175.800 0.064 0.000 1.089 80 F CA -1.036 57.039 58.000 0.125 0.000 0.915 80 F CB 1.932 41.002 39.000 0.117 0.000 1.186 80 F HN 0.542 nan 8.300 nan 0.000 0.456 81 L N 7.002 127.905 121.223 -0.533 0.000 2.272 81 L HA 0.564 4.904 4.340 -0.000 0.000 0.289 81 L C -1.645 174.996 176.870 -0.382 0.000 1.032 81 L CA -0.621 54.009 54.840 -0.350 0.000 0.810 81 L CB 1.025 42.893 42.059 -0.319 0.000 1.205 81 L HN 0.624 nan 8.230 nan 0.000 0.422 82 L N 5.255 126.418 121.223 -0.100 0.000 2.287 82 L HA 0.581 4.921 4.340 -0.000 0.000 0.287 82 L C -0.736 176.073 176.870 -0.102 0.000 1.022 82 L CA 0.162 54.978 54.840 -0.041 0.000 0.814 82 L CB 1.321 43.435 42.059 0.092 0.000 1.217 82 L HN 0.830 nan 8.230 nan 0.000 0.420 83 Q N 3.552 123.239 119.800 -0.188 0.000 2.337 83 Q HA 0.808 5.147 4.340 -0.000 0.000 0.270 83 Q C -1.022 174.824 176.000 -0.257 0.000 1.043 83 Q CA -0.529 55.095 55.803 -0.298 0.000 0.794 83 Q CB 2.043 30.426 28.738 -0.591 0.000 1.281 83 Q HN 0.965 nan 8.270 nan 0.000 0.446 84 G N 0.777 109.491 108.800 -0.144 0.000 2.547 84 G HA2 0.698 4.657 3.960 -0.000 0.000 0.291 84 G HA3 0.698 4.657 3.960 -0.000 0.000 0.291 84 G C -0.893 174.011 174.900 0.006 0.000 1.471 84 G CA 0.008 45.084 45.100 -0.040 0.000 0.798 84 G HN 1.026 nan 8.290 nan 0.000 0.504 85 G N -0.606 108.212 108.800 0.031 0.000 2.350 85 G HA2 0.392 4.352 3.960 -0.000 0.000 0.282 85 G HA3 0.392 4.352 3.960 -0.000 0.000 0.282 85 G C -1.621 173.313 174.900 0.056 0.000 1.314 85 G CA -0.538 44.579 45.100 0.030 0.000 0.915 85 G HN 0.712 nan 8.290 nan 0.000 0.499 86 D N -0.106 120.332 120.400 0.064 0.000 2.488 86 D HA 0.160 4.799 4.640 -0.000 0.000 0.238 86 D C 1.679 178.035 176.300 0.094 0.000 1.138 86 D CA 0.484 54.532 54.000 0.079 0.000 0.873 86 D CB 1.473 42.334 40.800 0.102 0.000 1.183 86 D HN 0.670 nan 8.370 nan 0.000 0.458 87 C N 2.875 122.224 119.300 0.081 0.000 2.393 87 C HA -0.001 4.458 4.460 -0.000 0.000 0.276 87 C C 0.906 175.957 174.990 0.101 0.000 1.215 87 C CA 1.284 60.368 59.018 0.111 0.000 1.743 87 C CB -0.657 27.134 27.740 0.085 0.000 2.044 87 C HN 0.661 nan 8.230 nan 0.000 0.464 88 A N 0.213 123.065 122.820 0.053 0.000 2.381 88 A HA 0.623 4.942 4.320 -0.000 0.000 0.299 88 A C -0.707 176.864 177.584 -0.023 0.000 1.049 88 A CA -0.437 51.606 52.037 0.010 0.000 0.715 88 A CB 0.628 19.642 19.000 0.023 0.000 1.222 88 A HN 0.650 nan 8.150 nan 0.000 0.428 89 E N 0.996 121.119 120.200 -0.129 0.000 2.390 89 E HA 0.415 4.764 4.350 -0.000 0.000 0.261 89 E C 0.286 176.911 176.600 0.041 0.000 1.076 89 E CA 0.245 56.562 56.400 -0.139 0.000 0.905 89 E CB 0.909 30.288 29.700 -0.535 0.000 0.984 89 E HN 0.723 nan 8.360 nan 0.000 0.427 90 T N -0.828 113.806 114.554 0.134 0.000 2.907 90 T HA 0.461 4.811 4.350 -0.000 0.000 0.292 90 T C -0.097 174.801 174.700 0.330 0.000 1.043 90 T CA -0.901 61.296 62.100 0.162 0.000 1.003 90 T CB 0.529 69.382 68.868 -0.025 0.000 1.084 90 T HN 0.110 nan 8.240 nan 0.000 0.483 94 N N 2.089 120.845 118.700 0.094 0.000 3.178 94 N HA 0.081 4.821 4.740 -0.000 0.000 0.300 94 N C -0.617 174.962 175.510 0.114 0.000 1.242 94 N CA 0.443 53.591 53.050 0.164 0.000 1.192 94 N CB -0.091 38.532 38.487 0.228 0.000 1.463 94 N HN 0.108 nan 8.380 nan 0.000 0.539 95 T N -2.860 111.765 114.554 0.118 0.000 2.930 95 T HA 0.275 4.624 4.350 -0.000 0.000 0.290 95 T C 0.938 175.686 174.700 0.080 0.000 1.052 95 T CA -0.766 61.383 62.100 0.082 0.000 1.017 95 T CB 1.728 70.637 68.868 0.067 0.000 1.137 95 T HN 0.057 nan 8.240 nan 0.000 0.511 96 E N 0.690 120.919 120.200 0.048 0.000 2.070 96 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 96 E C -0.892 175.721 176.600 0.021 0.000 1.004 96 E CA 1.878 58.295 56.400 0.029 0.000 0.805 96 E CB -1.450 28.261 29.700 0.018 0.000 0.744 96 E HN 0.512 nan 8.360 nan 0.000 0.451 97 P HA -0.110 nan 4.420 nan 0.000 0.216 97 P C 1.238 178.546 177.300 0.013 0.000 1.153 97 P CA 1.654 64.761 63.100 0.011 0.000 0.848 97 P CB -0.241 31.472 31.700 0.020 0.000 0.787 98 H N -0.564 118.490 119.070 -0.027 0.000 2.326 98 H HA -0.010 4.545 4.556 -0.000 0.000 0.301 98 H C 1.844 177.154 175.328 -0.031 0.000 1.081 98 H CA 1.411 57.441 56.048 -0.029 0.000 1.334 98 H CB -0.884 28.869 29.762 -0.014 0.000 1.385 98 H HN -0.038 nan 8.280 nan 0.000 0.504 99 I N -0.029 120.516 120.570 -0.042 0.000 2.179 99 I HA -0.255 3.914 4.170 -0.000 0.000 0.242 99 I C 2.767 178.813 176.117 -0.119 0.000 1.088 99 I CA 1.504 62.757 61.300 -0.079 0.000 1.357 99 I CB -0.321 37.687 38.000 0.012 0.000 1.051 99 I HN 0.243 nan 8.210 nan 0.000 0.409 100 R N 1.073 121.518 120.500 -0.093 0.000 2.105 100 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 100 R C 2.314 178.506 176.300 -0.180 0.000 1.135 100 R CA 1.680 57.714 56.100 -0.111 0.000 0.967 100 R CB -0.572 29.677 30.300 -0.085 0.000 0.861 100 R HN 0.430 nan 8.270 nan 0.000 0.442 101 G N 0.613 109.292 108.800 -0.203 0.000 2.440 101 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 101 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 101 G C 1.160 175.910 174.900 -0.251 0.000 1.154 101 G CA 0.847 45.802 45.100 -0.241 0.000 0.767 101 G HN 0.334 nan 8.290 nan 0.000 0.552 102 N N 0.217 118.750 118.700 -0.279 0.000 2.216 102 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 102 N C 2.355 177.781 175.510 -0.139 0.000 1.017 102 N CA 0.869 53.788 53.050 -0.218 0.000 0.861 102 N CB -0.391 37.949 38.487 -0.245 0.000 0.986 102 N HN 0.191 nan 8.380 nan 0.000 0.428 103 V N 1.848 121.687 119.914 -0.125 0.000 2.295 103 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 103 V C 2.939 178.985 176.094 -0.079 0.000 1.049 103 V CA 2.431 64.684 62.300 -0.078 0.000 1.024 103 V CB -0.839 30.949 31.823 -0.058 0.000 0.648 103 V HN 0.409 nan 8.190 nan 0.000 0.447 104 R N 0.147 120.553 120.500 -0.156 0.000 2.083 104 R HA -0.104 4.235 4.340 -0.000 0.000 0.237 104 R C 2.350 178.568 176.300 -0.138 0.000 1.137 104 R CA 2.236 58.200 56.100 -0.227 0.000 0.951 104 R CB -1.603 28.341 30.300 -0.593 0.000 0.851 104 R HN 0.634 nan 8.270 nan 0.000 0.434 105 A N 0.463 123.189 122.820 -0.156 0.000 1.908 105 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 105 A C 2.440 179.993 177.584 -0.053 0.000 1.181 105 A CA 1.674 53.646 52.037 -0.108 0.000 0.627 105 A CB -0.451 18.477 19.000 -0.119 0.000 0.818 105 A HN 0.502 nan 8.150 nan 0.000 0.445 106 L N -0.576 120.621 121.223 -0.043 0.000 2.109 106 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 106 L C 2.341 179.222 176.870 0.018 0.000 1.086 106 L CA 1.269 56.101 54.840 -0.013 0.000 0.760 106 L CB -0.263 41.788 42.059 -0.014 0.000 0.910 106 L HN 0.406 nan 8.230 nan 0.000 0.437 107 L N -1.004 120.243 121.223 0.039 0.000 2.046 107 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 107 L C 1.553 178.485 176.870 0.104 0.000 1.077 107 L CA 0.680 55.570 54.840 0.084 0.000 0.747 107 L CB -0.576 41.566 42.059 0.140 0.000 0.896 107 L HN 0.346 nan 8.230 nan 0.000 0.432 111 V N -0.755 119.163 119.914 0.007 0.000 2.295 111 V HA -0.140 3.979 4.120 -0.000 0.000 0.246 111 V C 2.047 178.102 176.094 -0.065 0.000 1.049 111 V CA 2.347 64.638 62.300 -0.014 0.000 1.024 111 V CB -1.701 30.116 31.823 -0.010 0.000 0.648 111 V HN 0.304 nan 8.190 nan 0.000 0.447 112 V N 0.532 120.362 119.914 -0.139 0.000 2.332 112 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 112 V C 2.634 178.630 176.094 -0.163 0.000 1.055 112 V CA 2.536 64.674 62.300 -0.271 0.000 1.038 112 V CB -0.659 30.804 31.823 -0.601 0.000 0.651 112 V HN 0.491 nan 8.190 nan 0.000 0.450 113 L N -0.711 120.437 121.223 -0.126 0.000 2.109 113 L HA -0.108 4.231 4.340 -0.000 0.000 0.207 113 L C 2.604 179.414 176.870 -0.100 0.000 1.086 113 L CA 1.571 56.331 54.840 -0.134 0.000 0.760 113 L CB -0.919 41.094 42.059 -0.077 0.000 0.910 113 L HN 0.330 nan 8.230 nan 0.000 0.437 114 T N -1.063 113.479 114.554 -0.021 0.000 2.684 114 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 114 T C 1.706 176.400 174.700 -0.010 0.000 1.036 114 T CA 1.684 63.788 62.100 0.007 0.000 1.148 114 T CB -0.409 68.481 68.868 0.037 0.000 0.863 114 T HN 0.296 nan 8.240 nan 0.000 0.436 115 Y N 1.661 121.905 120.300 -0.095 0.000 2.114 115 Y HA -0.053 4.497 4.550 -0.000 0.000 0.284 115 Y C 2.615 178.465 175.900 -0.085 0.000 1.143 115 Y CA 1.484 59.531 58.100 -0.089 0.000 1.135 115 Y CB -0.768 37.620 38.460 -0.121 0.000 0.980 115 Y HN 0.203 nan 8.280 nan 0.000 0.499 116 G N -0.618 108.174 108.800 -0.014 0.000 2.422 116 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 116 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 116 G C 1.674 176.479 174.900 -0.158 0.000 1.146 116 G CA 0.802 45.852 45.100 -0.084 0.000 0.769 116 G HN 0.574 nan 8.290 nan 0.000 0.547 117 A N -0.644 122.076 122.820 -0.167 0.000 2.072 117 A HA 0.466 4.786 4.320 -0.000 0.000 0.216 117 A C 1.449 178.980 177.584 -0.087 0.000 1.156 117 A CA 1.235 53.193 52.037 -0.132 0.000 0.701 117 A CB -0.142 18.765 19.000 -0.155 0.000 0.816 117 A HN 0.702 nan 8.150 nan 0.000 0.458 121 V N 0.980 120.975 119.914 0.136 0.000 2.448 121 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 121 V C -0.091 176.083 176.094 0.134 0.000 1.025 121 V CA -0.679 61.731 62.300 0.182 0.000 0.859 121 V CB 2.005 33.939 31.823 0.186 0.000 0.988 121 V HN 0.406 nan 8.190 nan 0.000 0.431 122 V N 5.853 125.838 119.914 0.117 0.000 2.432 122 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 122 V C 0.173 176.326 176.094 0.099 0.000 1.043 122 V CA -0.668 61.695 62.300 0.105 0.000 0.925 122 V CB 1.408 33.260 31.823 0.048 0.000 0.985 122 V HN 0.801 nan 8.190 nan 0.000 0.466 123 K N 4.261 124.746 120.400 0.143 0.000 2.293 123 K HA 0.627 4.947 4.320 -0.000 0.000 0.267 123 K C -1.226 175.464 176.600 0.150 0.000 1.010 123 K CA -0.469 55.879 56.287 0.102 0.000 0.875 123 K CB 1.858 34.396 32.500 0.063 0.000 1.106 123 K HN 0.436 nan 8.250 nan 0.000 0.450 124 V N 2.727 122.690 119.914 0.082 0.000 2.376 124 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 124 V C -0.083 176.040 176.094 0.049 0.000 1.015 124 V CA -1.000 61.362 62.300 0.102 0.000 0.834 124 V CB 1.296 33.145 31.823 0.044 0.000 1.001 124 V HN 0.882 nan 8.190 nan 0.000 0.428 125 A N 5.284 128.159 122.820 0.092 0.000 2.340 125 A HA 0.624 4.944 4.320 -0.000 0.000 0.268 125 A C 0.391 178.051 177.584 0.127 0.000 1.100 125 A CA -0.512 51.569 52.037 0.073 0.000 0.803 125 A CB 0.318 19.357 19.000 0.065 0.000 1.043 125 A HN 0.837 nan 8.150 nan 0.000 0.488 126 R N 1.094 121.670 120.500 0.126 0.000 2.308 126 R HA 0.564 4.904 4.340 -0.000 0.000 0.325 126 R C -0.771 175.606 176.300 0.127 0.000 1.161 126 R CA 0.353 56.585 56.100 0.219 0.000 1.022 126 R CB -0.092 30.372 30.300 0.273 0.000 1.091 126 R HN 0.691 nan 8.270 nan 0.000 0.497 127 I N -0.450 120.192 120.570 0.120 0.000 3.033 127 I HA 0.278 4.448 4.170 -0.000 0.000 0.306 127 I C -0.787 175.366 176.117 0.059 0.000 1.473 127 I CA -0.464 60.863 61.300 0.046 0.000 0.951 127 I CB 1.818 39.853 38.000 0.058 0.000 1.338 127 I HN 0.635 nan 8.210 nan 0.000 0.518 128 A N 3.226 126.060 122.820 0.024 0.000 2.745 128 A HA 0.086 4.406 4.320 -0.000 0.000 0.296 128 A C 0.854 178.484 177.584 0.076 0.000 1.500 128 A CA 1.546 53.634 52.037 0.086 0.000 0.766 128 A CB -2.246 16.822 19.000 0.113 0.000 1.030 128 A HN 2.267 nan 8.150 nan 0.000 0.489 129 G N -2.191 106.538 108.800 -0.118 0.000 3.288 129 G HA2 0.221 4.180 3.960 -0.000 0.000 0.219 129 G HA3 0.221 4.180 3.960 -0.000 0.000 0.219 129 G C -0.022 174.581 174.900 -0.494 0.000 0.944 129 G CA 0.642 45.581 45.100 -0.269 0.000 0.854 129 G HN 1.337 nan 8.290 nan 0.000 0.632 130 Q N 0.882 120.408 119.800 -0.456 0.000 3.181 130 Q HA 0.533 4.873 4.340 -0.000 0.000 0.293 130 Q C 0.001 175.771 176.000 -0.383 0.000 1.406 130 Q CA -0.442 55.198 55.803 -0.272 0.000 1.026 130 Q CB -0.779 27.917 28.738 -0.069 0.000 1.630 130 Q HN 0.607 nan 8.270 nan 0.000 0.553 131 Y N -0.377 119.830 120.300 -0.155 0.000 2.557 131 Y HA 0.579 5.129 4.550 -0.000 0.000 0.247 131 Y C 0.260 176.033 175.900 -0.212 0.000 1.164 131 Y CA -0.310 57.689 58.100 -0.168 0.000 1.218 131 Y CB 1.163 39.534 38.460 -0.148 0.000 1.210 131 Y HN 0.412 nan 8.280 nan 0.000 0.529 132 A N 1.620 124.392 122.820 -0.080 0.000 2.422 132 A HA 0.697 5.017 4.320 -0.000 0.000 0.302 132 A C -1.100 176.401 177.584 -0.139 0.000 1.041 132 A CA -0.784 51.172 52.037 -0.135 0.000 0.708 132 A CB 1.357 20.285 19.000 -0.120 0.000 1.257 132 A HN 0.164 nan 8.150 nan 0.000 0.414 133 K N 2.879 123.172 120.400 -0.179 0.000 2.464 133 K HA 0.716 5.036 4.320 -0.000 0.000 0.253 133 K C -3.236 173.285 176.600 -0.132 0.000 0.933 133 K CA -1.691 54.516 56.287 -0.134 0.000 0.801 133 K CB 3.056 35.487 32.500 -0.115 0.000 1.271 133 K HN 0.404 nan 8.250 nan 0.000 0.430 134 P HA 0.320 nan 4.420 nan 0.000 0.276 134 P C -1.065 176.197 177.300 -0.063 0.000 1.252 134 P CA -0.648 62.397 63.100 -0.091 0.000 0.802 134 P CB 0.804 32.449 31.700 -0.092 0.000 1.035 135 R N 0.358 120.828 120.500 -0.049 0.000 2.673 135 R HA 0.319 4.659 4.340 -0.000 0.000 0.281 135 R C 1.091 177.382 176.300 -0.015 0.000 0.991 135 R CA -0.681 55.406 56.100 -0.022 0.000 0.896 135 R CB 1.428 31.719 30.300 -0.014 0.000 1.201 135 R HN 0.415 nan 8.270 nan 0.000 0.457 136 S N 0.647 116.345 115.700 -0.003 0.000 2.371 136 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 136 S C 0.897 175.497 174.600 -0.000 0.000 1.029 136 S CA 1.094 59.294 58.200 -0.001 0.000 0.978 136 S CB 0.140 63.344 63.200 0.008 0.000 0.833 136 S HN 0.705 nan 8.310 nan 0.000 0.466 137 A N 1.004 123.826 122.820 0.004 0.000 2.317 137 A HA 0.552 4.872 4.320 -0.000 0.000 0.327 137 A C 0.204 177.790 177.584 0.005 0.000 1.178 137 A CA -0.558 51.481 52.037 0.003 0.000 0.817 137 A CB 0.875 19.878 19.000 0.005 0.000 1.189 137 A HN 0.103 nan 8.150 nan 0.000 0.489 138 D N 0.688 121.089 120.400 0.001 0.000 2.349 138 D HA 0.077 4.717 4.640 -0.000 0.000 0.215 138 D C 0.128 176.431 176.300 0.005 0.000 1.016 138 D CA 0.738 54.740 54.000 0.005 0.000 0.870 138 D CB 0.049 40.845 40.800 -0.006 0.000 0.917 138 D HN 0.354 nan 8.370 nan 0.000 0.524 139 I N 1.884 122.454 120.570 0.000 0.000 2.406 139 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 139 I C 0.100 176.217 176.117 -0.001 0.000 0.999 139 I CA -0.947 60.352 61.300 -0.002 0.000 1.124 139 I CB 1.307 39.301 38.000 -0.010 0.000 1.289 139 I HN -0.042 nan 8.210 nan 0.000 0.441 140 D N 5.137 125.536 120.400 -0.002 0.000 2.478 140 D HA 0.292 4.932 4.640 -0.000 0.000 0.269 140 D C 1.063 177.351 176.300 -0.020 0.000 1.232 140 D CA -0.513 53.484 54.000 -0.005 0.000 1.059 140 D CB 0.766 41.566 40.800 -0.001 0.000 1.104 140 D HN 0.468 nan 8.370 nan 0.000 0.566 141 A N -0.649 122.154 122.820 -0.028 0.000 2.131 141 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 141 A C 2.082 179.638 177.584 -0.047 0.000 1.158 141 A CA 0.956 52.970 52.037 -0.039 0.000 0.665 141 A CB -0.802 18.167 19.000 -0.051 0.000 0.795 141 A HN 0.545 nan 8.150 nan 0.000 0.460 142 L N -1.882 119.310 121.223 -0.052 0.000 2.607 142 L HA 0.251 4.590 4.340 -0.000 0.000 0.228 142 L C 1.660 178.503 176.870 -0.045 0.000 1.123 142 L CA 0.479 55.285 54.840 -0.057 0.000 0.890 142 L CB -0.065 41.949 42.059 -0.075 0.000 1.103 142 L HN 0.540 nan 8.230 nan 0.000 0.468 143 G N 0.580 109.359 108.800 -0.035 0.000 2.176 143 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 143 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 143 G C 0.217 175.101 174.900 -0.026 0.000 0.979 143 G CA -0.127 44.956 45.100 -0.028 0.000 0.641 143 G HN 0.214 nan 8.290 nan 0.000 0.530 144 L N 0.594 121.799 121.223 -0.030 0.000 2.418 144 L HA 0.471 4.811 4.340 -0.000 0.000 0.265 144 L C 1.457 178.323 176.870 -0.006 0.000 1.143 144 L CA -1.033 53.793 54.840 -0.023 0.000 0.809 144 L CB 0.585 42.621 42.059 -0.038 0.000 1.124 144 L HN 0.087 nan 8.230 nan 0.000 0.456 145 R N 1.226 121.728 120.500 0.004 0.000 2.537 145 R HA 0.033 4.373 4.340 -0.000 0.000 0.281 145 R C -0.090 176.245 176.300 0.059 0.000 0.988 145 R CA -0.177 55.938 56.100 0.025 0.000 1.077 145 R CB 0.180 30.495 30.300 0.025 0.000 0.932 145 R HN 0.583 nan 8.270 nan 0.000 0.409 146 S N 2.748 118.488 115.700 0.066 0.000 2.552 146 S HA -0.105 4.365 4.470 -0.000 0.000 0.289 146 S C -0.190 174.494 174.600 0.140 0.000 1.304 146 S CA -0.246 58.004 58.200 0.083 0.000 1.063 146 S CB 0.184 63.417 63.200 0.055 0.000 0.848 146 S HN 0.441 nan 8.310 nan 0.000 0.499 147 Y N 3.071 123.375 120.300 0.007 0.000 2.544 147 Y HA 0.067 4.617 4.550 -0.000 0.000 0.330 147 Y C 1.164 177.075 175.900 0.018 0.000 1.136 147 Y CA 0.123 58.236 58.100 0.022 0.000 1.417 147 Y CB 0.218 38.708 38.460 0.051 0.000 1.229 147 Y HN 0.622 nan 8.280 nan 0.000 0.532 148 R N 4.299 124.551 120.500 -0.414 0.000 2.577 148 R HA 0.303 4.643 4.340 -0.000 0.000 0.344 148 R C -0.124 175.811 176.300 -0.608 0.000 1.037 148 R CA 0.220 56.052 56.100 -0.447 0.000 1.102 148 R CB 0.683 30.801 30.300 -0.303 0.000 1.313 148 R HN 0.970 nan 8.270 nan 0.000 0.561 149 G N 1.332 109.428 108.800 -1.173 0.000 2.675 149 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.686 149 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.686 149 G C -0.931 173.780 174.900 -0.315 0.000 1.215 149 G CA -1.017 43.650 45.100 -0.722 0.000 0.777 149 G HN 0.087 nan 8.290 nan 0.000 0.638 153 N N 1.237 119.956 118.700 0.033 0.000 3.243 153 N HA 0.516 5.256 4.740 -0.000 0.000 0.280 153 N C -0.589 175.070 175.510 0.249 0.000 1.545 153 N CA -0.059 53.083 53.050 0.153 0.000 0.854 153 N CB 0.720 39.317 38.487 0.184 0.000 1.612 153 N HN 0.066 nan 8.380 nan 0.000 0.577 154 G N -1.372 107.561 108.800 0.221 0.000 2.410 154 G HA2 0.405 4.364 3.960 -0.000 0.000 0.330 154 G HA3 0.405 4.364 3.960 -0.000 0.000 0.330 154 G C -0.448 174.443 174.900 -0.016 0.000 1.142 154 G CA -0.734 44.454 45.100 0.146 0.000 0.902 154 G HN 0.482 nan 8.290 nan 0.000 0.491 155 F N 2.420 122.034 119.950 -0.561 0.000 2.293 155 F HA 0.260 4.787 4.527 -0.000 0.000 0.300 155 F C 1.924 177.484 175.800 -0.400 0.000 1.086 155 F CA 0.513 57.927 58.000 -0.977 0.000 1.375 155 F CB 0.022 38.483 39.000 -0.899 0.000 1.045 155 F HN 0.485 nan 8.300 nan 0.000 0.516 156 A N 2.440 125.143 122.820 -0.195 0.000 2.546 156 A HA 0.133 4.453 4.320 -0.000 0.000 0.243 156 A C -2.029 175.408 177.584 -0.245 0.000 1.063 156 A CA -0.751 51.174 52.037 -0.187 0.000 0.757 156 A CB -0.873 18.089 19.000 -0.064 0.000 0.991 156 A HN 0.247 nan 8.150 nan 0.000 0.503 157 P HA 0.123 nan 4.420 nan 0.000 0.226 157 P C -1.097 176.131 177.300 -0.120 0.000 1.783 157 P CA 0.213 63.185 63.100 -0.213 0.000 0.980 157 P CB -0.412 31.155 31.700 -0.222 0.000 1.967 158 D N -0.616 119.730 120.400 -0.090 0.000 2.596 158 D HA 0.279 4.918 4.640 -0.000 0.000 0.234 158 D C 0.307 176.587 176.300 -0.033 0.000 1.181 158 D CA -0.904 53.064 54.000 -0.054 0.000 0.856 158 D CB 1.656 42.430 40.800 -0.044 0.000 1.498 158 D HN -0.072 nan 8.370 nan 0.000 0.446 159 A N 1.040 123.848 122.820 -0.021 0.000 1.898 159 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 159 A C 2.179 179.769 177.584 0.010 0.000 1.181 159 A CA 2.106 54.139 52.037 -0.006 0.000 0.620 159 A CB -0.935 18.060 19.000 -0.009 0.000 0.819 159 A HN 0.719 nan 8.150 nan 0.000 0.442 160 A N 0.077 122.902 122.820 0.008 0.000 1.908 160 A HA 0.098 4.417 4.320 -0.000 0.000 0.218 160 A C 2.482 180.088 177.584 0.036 0.000 1.181 160 A CA 2.206 54.256 52.037 0.021 0.000 0.627 160 A CB -1.034 17.973 19.000 0.011 0.000 0.818 160 A HN 1.106 nan 8.150 nan 0.000 0.445 161 A N -0.951 121.884 122.820 0.024 0.000 2.019 161 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 161 A C 2.050 179.678 177.584 0.075 0.000 1.164 161 A CA 1.257 53.316 52.037 0.036 0.000 0.644 161 A CB -0.338 18.663 19.000 0.001 0.000 0.805 161 A HN 0.365 nan 8.150 nan 0.000 0.449 162 R N 0.467 121.010 120.500 0.071 0.000 2.299 162 R HA 0.103 4.443 4.340 -0.000 0.000 0.197 162 R C -0.171 176.237 176.300 0.179 0.000 0.971 162 R CA 0.097 56.268 56.100 0.118 0.000 1.030 162 R CB -0.247 30.099 30.300 0.076 0.000 0.932 162 R HN 0.481 nan 8.270 nan 0.000 0.477 163 E N 1.148 121.436 120.200 0.147 0.000 2.392 163 E HA 0.012 4.362 4.350 -0.000 0.000 0.264 163 E C -0.247 176.544 176.600 0.317 0.000 1.024 163 E CA 0.122 56.622 56.400 0.168 0.000 0.903 163 E CB 0.446 30.211 29.700 0.108 0.000 0.963 163 E HN 0.277 nan 8.360 nan 0.000 0.432 164 H N 1.781 120.936 119.070 0.142 0.000 2.899 164 H HA 0.045 4.601 4.556 -0.000 0.000 0.303 164 H C -0.320 175.260 175.328 0.420 0.000 1.042 164 H CA -0.190 56.011 56.048 0.255 0.000 1.479 164 H CB 0.691 30.529 29.762 0.127 0.000 1.493 164 H HN 0.195 nan 8.280 nan 0.000 0.534 165 D N 5.687 126.423 120.400 0.560 0.000 2.462 165 D HA 0.117 4.757 4.640 -0.000 0.000 0.245 165 D C -1.810 174.508 176.300 0.031 0.000 1.122 165 D CA -2.610 51.556 54.000 0.276 0.000 0.864 165 D CB 1.655 42.562 40.800 0.178 0.000 1.098 165 D HN 0.244 nan 8.370 nan 0.000 0.541 166 P HA -0.131 nan 4.420 nan 0.000 0.222 166 P C 1.238 178.212 177.300 -0.543 0.000 1.147 166 P CA 0.650 63.033 63.100 -1.195 0.000 0.790 166 P CB 0.107 31.084 31.700 -1.205 0.000 0.780 167 S N 0.340 115.891 115.700 -0.247 0.000 2.440 167 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 167 S C 1.978 176.546 174.600 -0.053 0.000 1.010 167 S CA 0.607 58.736 58.200 -0.119 0.000 0.972 167 S CB -1.037 62.135 63.200 -0.048 0.000 0.774 167 S HN 0.127 nan 8.310 nan 0.000 0.501 168 R N 0.509 121.002 120.500 -0.013 0.000 2.293 168 R HA 0.165 4.505 4.340 -0.000 0.000 0.219 168 R C 1.948 178.301 176.300 0.088 0.000 1.091 168 R CA 0.990 57.157 56.100 0.111 0.000 1.004 168 R CB -0.569 29.846 30.300 0.193 0.000 0.865 168 R HN 0.468 nan 8.270 nan 0.000 0.469 169 L N -0.398 120.831 121.223 0.010 0.000 2.056 169 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 169 L C 2.163 179.132 176.870 0.165 0.000 1.078 169 L CA 0.978 55.885 54.840 0.111 0.000 0.749 169 L CB -0.291 41.805 42.059 0.062 0.000 0.901 169 L HN 0.009 nan 8.230 nan 0.000 0.433 170 V N -0.449 119.505 119.914 0.068 0.000 2.407 170 V HA -0.173 3.946 4.120 -0.000 0.000 0.245 170 V C 2.521 178.647 176.094 0.052 0.000 1.041 170 V CA 1.388 63.741 62.300 0.088 0.000 1.040 170 V CB -0.496 31.339 31.823 0.020 0.000 0.671 170 V HN 0.346 nan 8.190 nan 0.000 0.455 171 R N 0.536 120.996 120.500 -0.067 0.000 2.120 171 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 171 R C 2.383 178.362 176.300 -0.536 0.000 1.123 171 R CA 1.415 57.326 56.100 -0.316 0.000 0.975 171 R CB -0.633 29.447 30.300 -0.367 0.000 0.866 171 R HN 0.532 nan 8.270 nan 0.000 0.446 172 A N 0.314 122.996 122.820 -0.229 0.000 1.877 172 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 172 A C 2.006 179.541 177.584 -0.082 0.000 1.186 172 A CA 1.376 53.262 52.037 -0.251 0.000 0.620 172 A CB -0.813 18.075 19.000 -0.186 0.000 0.822 172 A HN 0.483 nan 8.150 nan 0.000 0.443 173 Y N 0.784 121.122 120.300 0.063 0.000 2.128 173 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 173 Y C 2.587 178.508 175.900 0.034 0.000 1.154 173 Y CA 1.484 59.688 58.100 0.173 0.000 1.149 173 Y CB -0.635 37.938 38.460 0.188 0.000 0.976 173 Y HN 0.295 nan 8.280 nan 0.000 0.505 174 A N 0.746 123.420 122.820 -0.242 0.000 1.902 174 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 174 A C 2.163 179.553 177.584 -0.323 0.000 1.181 174 A CA 1.832 53.664 52.037 -0.341 0.000 0.623 174 A CB -0.881 18.021 19.000 -0.163 0.000 0.818 174 A HN 0.672 nan 8.150 nan 0.000 0.443 175 N N 0.227 118.729 118.700 -0.329 0.000 2.166 175 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 175 N C 1.989 177.492 175.510 -0.012 0.000 1.019 175 N CA 1.368 54.297 53.050 -0.203 0.000 0.856 175 N CB -0.309 37.971 38.487 -0.345 0.000 0.993 175 N HN 0.493 nan 8.380 nan 0.000 0.426 176 A N 1.254 124.079 122.820 0.007 0.000 1.855 176 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 176 A C 2.446 180.005 177.584 -0.042 0.000 1.191 176 A CA 2.107 54.200 52.037 0.092 0.000 0.613 176 A CB -0.777 18.318 19.000 0.159 0.000 0.829 176 A HN 0.456 nan 8.150 nan 0.000 0.442 177 S N 0.084 115.637 115.700 -0.245 0.000 2.423 177 S HA 0.121 4.591 4.470 -0.000 0.000 0.231 177 S C 2.026 176.555 174.600 -0.118 0.000 1.014 177 S CA 1.145 59.217 58.200 -0.214 0.000 0.965 177 S CB -0.539 62.416 63.200 -0.409 0.000 0.785 177 S HN 0.837 nan 8.310 nan 0.000 0.495 178 A N 2.382 125.131 122.820 -0.118 0.000 1.898 178 A HA 0.479 4.799 4.320 -0.000 0.000 0.216 178 A C 1.610 179.187 177.584 -0.012 0.000 1.181 178 A CA 1.033 53.035 52.037 -0.058 0.000 0.620 178 A CB -1.279 17.686 19.000 -0.058 0.000 0.819 178 A HN 0.827 nan 8.150 nan 0.000 0.442 182 L N 1.612 122.842 121.223 0.012 0.000 2.056 182 L HA 0.194 4.534 4.340 -0.000 0.000 0.207 182 L C 2.147 179.025 176.870 0.012 0.000 1.078 182 L CA 2.084 56.931 54.840 0.012 0.000 0.749 182 L CB -0.748 41.319 42.059 0.014 0.000 0.901 182 L HN 0.314 nan 8.230 nan 0.000 0.433 183 V N -0.475 119.449 119.914 0.017 0.000 2.407 183 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 183 V C 2.625 178.722 176.094 0.005 0.000 1.055 183 V CA 1.942 64.249 62.300 0.011 0.000 1.049 183 V CB -0.503 31.330 31.823 0.016 0.000 0.662 183 V HN 0.584 nan 8.190 nan 0.000 0.455 184 R N 0.640 121.146 120.500 0.011 0.000 2.073 184 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 184 R C 2.596 178.897 176.300 0.002 0.000 1.134 184 R CA 1.592 57.694 56.100 0.003 0.000 0.952 184 R CB -0.862 29.447 30.300 0.014 0.000 0.850 184 R HN 0.636 nan 8.270 nan 0.000 0.433 185 A N 1.383 124.208 122.820 0.008 0.000 1.883 185 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 185 A C 2.200 179.791 177.584 0.012 0.000 1.186 185 A CA 1.263 53.305 52.037 0.009 0.000 0.624 185 A CB -0.570 18.437 19.000 0.011 0.000 0.822 185 A HN 0.184 nan 8.150 nan 0.000 0.444 186 L N -0.137 121.092 121.223 0.011 0.000 2.141 186 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 186 L C 2.773 179.655 176.870 0.020 0.000 1.094 186 L CA 1.652 56.502 54.840 0.016 0.000 0.763 186 L CB -0.668 41.396 42.059 0.009 0.000 0.908 186 L HN 0.653 nan 8.230 nan 0.000 0.437 187 T N -4.568 109.989 114.554 0.005 0.000 3.067 187 T HA -0.026 4.324 4.350 -0.000 0.000 0.261 187 T C 1.508 176.209 174.700 0.000 0.000 1.110 187 T CA 0.712 62.811 62.100 -0.001 0.000 1.113 187 T CB -0.139 68.709 68.868 -0.032 0.000 0.917 187 T HN 0.328 nan 8.240 nan 0.000 0.499 188 S N 1.170 116.872 115.700 0.003 0.000 2.582 188 S HA 0.363 4.833 4.470 -0.000 0.000 0.234 188 S C 0.860 175.471 174.600 0.018 0.000 0.961 188 S CA -0.387 57.818 58.200 0.008 0.000 0.953 188 S CB -0.252 62.949 63.200 0.003 0.000 0.800 188 S HN 0.680 nan 8.310 nan 0.000 0.471 189 S N 0.638 116.354 115.700 0.026 0.000 2.690 189 S HA 0.684 5.154 4.470 -0.000 0.000 0.285 189 S C 1.344 175.971 174.600 0.045 0.000 1.135 189 S CA -0.125 58.096 58.200 0.036 0.000 1.020 189 S CB 0.350 63.575 63.200 0.040 0.000 1.159 189 S HN 0.250 nan 8.310 nan 0.000 0.534 190 G N -0.403 108.429 108.800 0.053 0.000 2.679 190 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 190 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 190 G C 1.054 175.988 174.900 0.057 0.000 1.137 190 G CA 0.320 45.452 45.100 0.053 0.000 0.787 190 G HN 0.572 nan 8.290 nan 0.000 0.534 191 L N 1.021 122.307 121.223 0.105 0.000 2.131 191 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 191 L C 2.747 179.724 176.870 0.177 0.000 1.092 191 L CA 1.937 56.904 54.840 0.212 0.000 0.759 191 L CB -0.179 41.984 42.059 0.173 0.000 0.903 191 L HN 0.199 nan 8.230 nan 0.000 0.435 192 A N -1.721 121.150 122.820 0.085 0.000 2.238 192 A HA 0.141 4.461 4.320 -0.000 0.000 0.210 192 A C 1.267 178.862 177.584 0.018 0.000 1.179 192 A CA 0.490 52.563 52.037 0.060 0.000 0.827 192 A CB -0.649 18.375 19.000 0.040 0.000 0.856 192 A HN 0.474 nan 8.150 nan 0.000 0.488 193 S N 0.002 115.694 115.700 -0.014 0.000 2.533 193 S HA 0.278 4.748 4.470 -0.000 0.000 0.282 193 S C 0.989 175.530 174.600 -0.098 0.000 1.304 193 S CA -0.428 57.764 58.200 -0.013 0.000 1.063 193 S CB 0.219 63.456 63.200 0.061 0.000 0.881 193 S HN 0.342 nan 8.310 nan 0.000 0.493 194 L N 3.285 124.497 121.223 -0.017 0.000 2.131 194 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 194 L C 2.852 179.682 176.870 -0.065 0.000 1.092 194 L CA 1.673 56.496 54.840 -0.027 0.000 0.759 194 L CB -0.964 41.106 42.059 0.017 0.000 0.903 194 L HN 0.943 nan 8.230 nan 0.000 0.435 195 H N 0.203 119.224 119.070 -0.082 0.000 2.321 195 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 195 H C 2.229 177.433 175.328 -0.206 0.000 1.087 195 H CA 1.543 57.535 56.048 -0.093 0.000 1.319 195 H CB -0.478 29.240 29.762 -0.073 0.000 1.379 195 H HN 0.341 nan 8.280 nan 0.000 0.501 196 L N 0.952 121.434 121.223 -1.234 0.000 1.994 196 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 196 L C 2.896 178.924 176.870 -1.403 0.000 1.071 196 L CA 1.462 55.565 54.840 -1.228 0.000 0.745 196 L CB -0.424 40.987 42.059 -1.081 0.000 0.892 196 L HN 0.172 nan 8.230 nan 0.000 0.431 197 V N -0.422 118.858 119.914 -1.057 0.000 2.278 197 V HA -0.380 3.740 4.120 -0.000 0.000 0.251 197 V C 2.418 178.380 176.094 -0.220 0.000 1.062 197 V CA 2.408 64.345 62.300 -0.604 0.000 1.038 197 V CB -0.955 30.860 31.823 -0.012 0.000 0.646 197 V HN 0.585 nan 8.190 nan 0.000 0.447 198 H N -0.115 118.801 119.070 -0.256 0.000 2.502 198 H HA -0.066 4.490 4.556 -0.000 0.000 0.283 198 H C 1.975 177.253 175.328 -0.083 0.000 1.015 198 H CA 1.192 57.185 56.048 -0.091 0.000 1.298 198 H CB -0.142 29.588 29.762 -0.053 0.000 1.411 198 H HN 0.428 nan 8.280 nan 0.000 0.556 199 D N -0.216 120.000 120.400 -0.306 0.000 2.182 199 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 199 D C 1.658 177.883 176.300 -0.126 0.000 0.986 199 D CA 0.726 54.571 54.000 -0.259 0.000 0.847 199 D CB -0.284 40.338 40.800 -0.295 0.000 0.942 199 D HN 0.516 nan 8.370 nan 0.000 0.467 200 W N 1.697 122.962 121.300 -0.058 0.000 2.338 200 W HA -0.085 4.575 4.660 -0.000 0.000 0.304 200 W C 1.987 178.509 176.519 0.004 0.000 1.212 200 W CA 0.392 57.723 57.345 -0.023 0.000 1.264 200 W CB -1.234 28.213 29.460 -0.020 0.000 1.142 200 W HN 0.049 nan 8.180 nan 0.000 0.512 201 N N 0.119 118.912 118.700 0.155 0.000 2.309 201 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 201 N C 1.766 177.374 175.510 0.163 0.000 1.018 201 N CA 1.066 54.218 53.050 0.171 0.000 0.876 201 N CB -0.544 38.019 38.487 0.127 0.000 0.972 201 N HN 0.273 nan 8.380 nan 0.000 0.434 202 R N 0.447 120.913 120.500 -0.057 0.000 2.093 202 R HA -0.025 4.314 4.340 -0.000 0.000 0.224 202 R C 1.869 178.187 176.300 0.029 0.000 1.101 202 R CA 0.674 56.754 56.100 -0.034 0.000 0.979 202 R CB -0.089 30.146 30.300 -0.110 0.000 0.877 202 R HN 0.159 nan 8.270 nan 0.000 0.441 203 E N 1.142 121.384 120.200 0.071 0.000 2.058 203 E HA -0.235 4.114 4.350 -0.000 0.000 0.194 203 E C 1.570 178.224 176.600 0.090 0.000 0.997 203 E CA 1.461 57.912 56.400 0.085 0.000 0.801 203 E CB -0.360 29.422 29.700 0.138 0.000 0.746 203 E HN 0.279 nan 8.360 nan 0.000 0.450 204 F N 0.139 120.103 119.950 0.022 0.000 2.120 204 F HA -0.207 4.319 4.527 -0.000 0.000 0.300 204 F C 1.968 177.752 175.800 -0.026 0.000 1.095 204 F CA 1.624 59.626 58.000 0.004 0.000 1.249 204 F CB -0.574 38.443 39.000 0.028 0.000 0.995 204 F HN -0.024 nan 8.300 nan 0.000 0.480 205 V N 1.131 120.867 119.914 -0.297 0.000 2.407 205 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 205 V C 2.570 178.492 176.094 -0.286 0.000 1.055 205 V CA 2.196 64.260 62.300 -0.394 0.000 1.049 205 V CB -0.651 31.093 31.823 -0.131 0.000 0.662 205 V HN 0.323 nan 8.190 nan 0.000 0.455 206 R N 0.399 120.799 120.500 -0.167 0.000 2.064 206 R HA -0.087 4.252 4.340 -0.000 0.000 0.228 206 R C 1.648 177.862 176.300 -0.144 0.000 1.144 206 R CA 1.734 57.761 56.100 -0.122 0.000 0.932 206 R CB -0.790 29.471 30.300 -0.064 0.000 0.833 206 R HN 0.602 nan 8.270 nan 0.000 0.429 207 T N -0.592 113.884 114.554 -0.131 0.000 4.098 207 T HA 0.233 4.582 4.350 -0.000 0.000 0.291 207 T C -0.294 174.302 174.700 -0.174 0.000 1.440 207 T CA -0.313 61.720 62.100 -0.112 0.000 1.164 207 T CB 0.175 69.011 68.868 -0.053 0.000 1.313 207 T HN 0.115 nan 8.240 nan 0.000 0.951 208 S N 2.162 117.727 115.700 -0.225 0.000 2.548 208 S HA 0.525 4.994 4.470 -0.000 0.000 0.278 208 S C -2.412 172.072 174.600 -0.194 0.000 1.150 208 S CA -1.028 57.013 58.200 -0.266 0.000 0.907 208 S CB 1.767 64.621 63.200 -0.578 0.000 1.108 208 S HN 0.195 nan 8.310 nan 0.000 0.459 209 P HA 0.118 nan 4.420 nan 0.000 0.216 209 P C 1.080 178.312 177.300 -0.114 0.000 1.153 209 P CA 1.390 64.429 63.100 -0.102 0.000 0.848 209 P CB 0.076 31.733 31.700 -0.071 0.000 0.787 210 A N -0.700 122.055 122.820 -0.109 0.000 2.251 210 A HA 0.302 4.622 4.320 -0.000 0.000 0.209 210 A C 2.204 179.657 177.584 -0.219 0.000 1.187 210 A CA 0.707 52.668 52.037 -0.127 0.000 0.823 210 A CB -1.418 17.579 19.000 -0.005 0.000 0.846 210 A HN 0.203 nan 8.150 nan 0.000 0.486 211 G N 0.850 109.509 108.800 -0.237 0.000 2.649 211 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 211 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 211 G C 1.778 176.535 174.900 -0.239 0.000 1.189 211 G CA 1.627 46.554 45.100 -0.288 0.000 0.777 211 G HN 0.941 nan 8.290 nan 0.000 0.602 212 A N 0.276 122.976 122.820 -0.201 0.000 2.054 212 A HA -0.184 4.136 4.320 -0.000 0.000 0.223 212 A C 2.325 179.771 177.584 -0.229 0.000 1.169 212 A CA 2.201 54.134 52.037 -0.172 0.000 0.655 212 A CB -0.493 18.426 19.000 -0.135 0.000 0.812 212 A HN 0.469 nan 8.150 nan 0.000 0.462 213 R N -2.154 118.112 120.500 -0.390 0.000 2.115 213 R HA -0.109 4.231 4.340 -0.000 0.000 0.226 213 R C 1.031 176.976 176.300 -0.592 0.000 1.100 213 R CA 1.555 57.305 56.100 -0.584 0.000 0.980 213 R CB -0.160 29.579 30.300 -0.935 0.000 0.875 213 R HN 0.611 nan 8.270 nan 0.000 0.445 214 Y N -0.225 119.979 120.300 -0.159 0.000 2.449 214 Y HA 0.215 4.765 4.550 -0.000 0.000 0.254 214 Y C 1.868 177.672 175.900 -0.159 0.000 1.140 214 Y CA -0.449 57.500 58.100 -0.252 0.000 1.272 214 Y CB 0.123 38.184 38.460 -0.666 0.000 1.114 214 Y HN 0.034 nan 8.280 nan 0.000 0.525 215 E N 1.029 121.212 120.200 -0.028 0.000 2.058 215 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 215 E C 2.286 178.924 176.600 0.063 0.000 0.997 215 E CA 1.288 57.690 56.400 0.003 0.000 0.801 215 E CB 0.052 29.728 29.700 -0.039 0.000 0.746 215 E HN 0.445 nan 8.360 nan 0.000 0.450 216 A N 1.388 124.242 122.820 0.058 0.000 1.902 216 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 216 A C 2.307 179.963 177.584 0.120 0.000 1.181 216 A CA 1.124 53.205 52.037 0.072 0.000 0.623 216 A CB -0.673 18.359 19.000 0.054 0.000 0.818 216 A HN 0.333 nan 8.150 nan 0.000 0.443 217 L N -0.972 120.375 121.223 0.207 0.000 2.072 217 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 217 L C 2.936 179.966 176.870 0.266 0.000 1.079 217 L CA 1.315 56.311 54.840 0.260 0.000 0.752 217 L CB -0.538 41.792 42.059 0.451 0.000 0.906 217 L HN 0.438 nan 8.230 nan 0.000 0.436 218 A N -0.681 122.403 122.820 0.440 0.000 1.908 218 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 218 A C 2.201 179.964 177.584 0.298 0.000 1.181 218 A CA 2.435 54.760 52.037 0.480 0.000 0.627 218 A CB -0.958 18.277 19.000 0.392 0.000 0.818 218 A HN 0.462 nan 8.150 nan 0.000 0.445 219 T N -0.774 113.874 114.554 0.157 0.000 2.777 219 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 219 T C 1.853 176.560 174.700 0.011 0.000 1.040 219 T CA 1.431 63.581 62.100 0.083 0.000 1.141 219 T CB -0.218 68.682 68.868 0.054 0.000 0.868 219 T HN 0.661 nan 8.240 nan 0.000 0.444 220 E N 0.312 120.493 120.200 -0.032 0.000 2.085 220 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 220 E C 2.075 178.429 176.600 -0.411 0.000 0.994 220 E CA 1.027 57.343 56.400 -0.141 0.000 0.801 220 E CB -0.190 29.460 29.700 -0.083 0.000 0.743 220 E HN 0.488 nan 8.360 nan 0.000 0.453 221 I N 0.605 120.847 120.570 -0.546 0.000 2.252 221 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 221 I C 2.217 178.082 176.117 -0.419 0.000 1.102 221 I CA 1.252 62.073 61.300 -0.797 0.000 1.385 221 I CB -0.173 37.313 38.000 -0.856 0.000 1.064 221 I HN 0.122 nan 8.210 nan 0.000 0.414 222 D N 0.874 121.195 120.400 -0.132 0.000 2.149 222 D HA -0.190 4.449 4.640 -0.000 0.000 0.198 222 D C 2.325 178.633 176.300 0.014 0.000 0.990 222 D CA 1.461 55.490 54.000 0.048 0.000 0.839 222 D CB 0.109 41.011 40.800 0.170 0.000 0.948 222 D HN 0.143 nan 8.370 nan 0.000 0.460 223 R N -0.553 119.939 120.500 -0.013 0.000 2.092 223 R HA 0.062 4.402 4.340 -0.000 0.000 0.231 223 R C 2.510 178.849 176.300 0.064 0.000 1.119 223 R CA 1.087 57.199 56.100 0.019 0.000 0.970 223 R CB -0.421 29.875 30.300 -0.007 0.000 0.864 223 R HN 0.201 nan 8.270 nan 0.000 0.440 224 G N 1.170 109.987 108.800 0.030 0.000 2.422 224 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 224 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 224 G C 1.402 176.409 174.900 0.178 0.000 1.146 224 G CA 0.543 45.743 45.100 0.167 0.000 0.769 224 G HN 0.120 nan 8.290 nan 0.000 0.547 225 L N -0.424 120.838 121.223 0.065 0.000 2.072 225 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 225 L C 3.147 180.066 176.870 0.082 0.000 1.079 225 L CA 0.862 55.739 54.840 0.062 0.000 0.752 225 L CB -0.301 41.772 42.059 0.024 0.000 0.906 225 L HN 0.105 nan 8.230 nan 0.000 0.436 226 R N -0.652 119.904 120.500 0.094 0.000 2.096 226 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 226 R C 1.221 177.606 176.300 0.141 0.000 1.127 226 R CA 0.690 56.844 56.100 0.091 0.000 0.968 226 R CB -0.400 29.950 30.300 0.082 0.000 0.861 226 R HN 0.138 nan 8.270 nan 0.000 0.440 230 A N 0.754 123.530 122.820 -0.073 0.000 1.978 230 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 230 A C 1.888 179.395 177.584 -0.128 0.000 1.170 230 A CA 1.862 53.861 52.037 -0.063 0.000 0.636 230 A CB -1.150 17.857 19.000 0.011 0.000 0.810 230 A HN 0.668 nan 8.150 nan 0.000 0.448 231 C N -1.238 117.915 119.300 -0.244 0.000 2.539 231 C HA 0.398 4.858 4.460 -0.000 0.000 0.271 231 C C 2.013 176.913 174.990 -0.150 0.000 1.412 231 C CA 0.399 59.265 59.018 -0.254 0.000 1.729 231 C CB -1.344 26.147 27.740 -0.415 0.000 1.739 231 C HN 1.092 nan 8.230 nan 0.000 0.570 232 G N -0.089 108.642 108.800 -0.114 0.000 2.157 232 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 232 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 232 G C 0.064 174.921 174.900 -0.070 0.000 0.982 232 G CA 0.179 45.232 45.100 -0.078 0.000 0.650 232 G HN 0.377 nan 8.290 nan 0.000 0.527 233 V N 1.465 121.330 119.914 -0.083 0.000 2.415 233 V HA 0.610 4.730 4.120 -0.000 0.000 0.267 233 V C 0.891 176.957 176.094 -0.047 0.000 1.042 233 V CA 0.327 62.589 62.300 -0.062 0.000 1.000 233 V CB 0.693 32.477 31.823 -0.066 0.000 1.015 233 V HN 1.032 nan 8.190 nan 0.000 0.478 234 A N 3.534 126.332 122.820 -0.036 0.000 2.311 234 A HA 0.527 4.847 4.320 -0.000 0.000 0.334 234 A C 1.004 178.579 177.584 -0.015 0.000 1.139 234 A CA -0.590 51.429 52.037 -0.031 0.000 0.830 234 A CB 0.629 19.610 19.000 -0.033 0.000 1.234 234 A HN 0.726 nan 8.150 nan 0.000 0.483 235 D N 0.655 121.052 120.400 -0.005 0.000 2.170 235 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 235 D C 1.815 178.118 176.300 0.006 0.000 1.004 235 D CA 1.831 55.837 54.000 0.012 0.000 0.860 235 D CB -0.153 40.665 40.800 0.029 0.000 0.931 235 D HN 0.646 nan 8.370 nan 0.000 0.448 236 R N -0.108 120.392 120.500 0.000 0.000 2.139 236 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 236 R C 2.110 178.408 176.300 -0.003 0.000 1.145 236 R CA 1.486 57.585 56.100 -0.001 0.000 0.976 236 R CB -0.971 29.326 30.300 -0.005 0.000 0.866 236 R HN 0.344 nan 8.270 nan 0.000 0.449 237 N N 0.730 119.425 118.700 -0.007 0.000 2.383 237 N HA 0.087 4.827 4.740 -0.000 0.000 0.192 237 N C 0.041 175.548 175.510 -0.005 0.000 1.141 237 N CA 0.481 53.526 53.050 -0.009 0.000 0.851 237 N CB 0.125 38.601 38.487 -0.017 0.000 0.976 237 N HN -0.116 nan 8.380 nan 0.000 0.465 238 L N 0.364 121.587 121.223 0.000 0.000 2.334 238 L HA 0.401 4.741 4.340 -0.000 0.000 0.270 238 L C 0.363 177.237 176.870 0.007 0.000 1.018 238 L CA -1.209 53.634 54.840 0.005 0.000 0.811 238 L CB 1.623 43.688 42.059 0.010 0.000 1.271 238 L HN 0.291 nan 8.230 nan 0.000 0.443 239 Q N 1.362 121.167 119.800 0.009 0.000 2.339 239 Q HA -0.014 4.326 4.340 -0.000 0.000 0.308 239 Q C -0.517 175.487 176.000 0.006 0.000 1.097 239 Q CA 0.397 56.205 55.803 0.010 0.000 1.007 239 Q CB 0.077 28.825 28.738 0.016 0.000 1.051 239 Q HN 0.640 nan 8.270 nan 0.000 0.381 240 T N 2.121 116.676 114.554 0.001 0.000 2.946 240 T HA 0.154 4.504 4.350 -0.000 0.000 0.311 240 T C 0.284 174.975 174.700 -0.015 0.000 1.063 240 T CA -0.062 62.035 62.100 -0.004 0.000 1.139 240 T CB 0.544 69.406 68.868 -0.010 0.000 0.994 240 T HN 0.605 nan 8.240 nan 0.000 0.547 241 A N 3.510 126.321 122.820 -0.015 0.000 2.546 241 A HA 0.223 4.543 4.320 -0.000 0.000 0.243 241 A C 0.392 177.927 177.584 -0.082 0.000 1.063 241 A CA -0.079 51.941 52.037 -0.028 0.000 0.757 241 A CB -0.067 18.928 19.000 -0.009 0.000 0.991 241 A HN 0.844 nan 8.150 nan 0.000 0.503 242 E N 1.714 121.839 120.200 -0.125 0.000 2.155 242 E HA 0.502 4.852 4.350 -0.000 0.000 0.264 242 E C -1.208 175.180 176.600 -0.352 0.000 0.886 242 E CA -0.114 56.105 56.400 -0.303 0.000 0.752 242 E CB 1.684 31.173 29.700 -0.351 0.000 1.133 242 E HN 0.622 nan 8.360 nan 0.000 0.414 243 I N 3.700 124.049 120.570 -0.368 0.000 2.389 243 I HA 0.298 4.468 4.170 -0.000 0.000 0.288 243 I C -0.804 175.113 176.117 -0.334 0.000 0.999 243 I CA -0.765 60.392 61.300 -0.238 0.000 1.129 243 I CB 0.724 38.676 38.000 -0.080 0.000 1.288 243 I HN 0.451 nan 8.210 nan 0.000 0.444 244 Y N 4.111 124.386 120.300 -0.043 0.000 2.432 244 Y HA 0.666 5.216 4.550 -0.000 0.000 0.322 244 Y C 0.576 176.598 175.900 0.203 0.000 1.246 244 Y CA -0.674 57.400 58.100 -0.044 0.000 1.268 244 Y CB 1.259 39.631 38.460 -0.146 0.000 1.276 244 Y HN 0.533 nan 8.280 nan 0.000 0.499 245 A N 1.293 124.522 122.820 0.682 0.000 2.317 245 A HA 0.755 5.074 4.320 -0.000 0.000 0.327 245 A C -0.620 177.183 177.584 0.365 0.000 1.178 245 A CA -0.344 51.940 52.037 0.412 0.000 0.817 245 A CB 0.446 19.635 19.000 0.314 0.000 1.189 245 A HN 0.730 nan 8.150 nan 0.000 0.489 246 S N 1.610 117.498 115.700 0.313 0.000 2.588 246 S HA 0.916 5.386 4.470 -0.000 0.000 0.275 246 S C -0.822 173.977 174.600 0.332 0.000 1.130 246 S CA -0.653 57.727 58.200 0.299 0.000 0.855 246 S CB 1.647 65.080 63.200 0.388 0.000 1.116 246 S HN 1.387 nan 8.310 nan 0.000 0.472 247 H N -0.707 118.374 119.070 0.017 0.000 2.981 247 H HA 0.483 5.038 4.556 -0.000 0.000 0.327 247 H C -1.290 173.314 175.328 -1.206 0.000 1.342 247 H CA -0.630 55.184 56.048 -0.390 0.000 1.123 247 H CB 1.077 30.730 29.762 -0.181 0.000 1.851 247 H HN 0.843 nan 8.280 nan 0.000 0.531 248 E N 1.020 120.298 120.200 -1.536 0.000 2.366 248 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 248 E C -0.363 175.926 176.600 -0.519 0.000 1.015 248 E CA -0.391 55.127 56.400 -1.470 0.000 0.906 248 E CB 0.463 29.610 29.700 -0.923 0.000 0.979 248 E HN 0.612 nan 8.360 nan 0.000 0.443 249 A N 6.561 129.131 122.820 -0.417 0.000 2.544 249 A HA 0.117 4.437 4.320 -0.000 0.000 0.301 249 A C 0.377 177.966 177.584 0.008 0.000 1.368 249 A CA -0.166 51.814 52.037 -0.094 0.000 1.045 249 A CB -0.021 18.966 19.000 -0.022 0.000 1.129 249 A HN 0.876 nan 8.150 nan 0.000 0.540 250 L N 2.864 124.104 121.223 0.028 0.000 2.588 250 L HA 0.204 4.544 4.340 -0.000 0.000 0.194 250 L C 0.093 177.029 176.870 0.109 0.000 1.070 250 L CA 0.662 55.539 54.840 0.063 0.000 0.852 250 L CB 0.446 42.473 42.059 -0.052 0.000 1.199 250 L HN 0.368 nan 8.230 nan 0.000 0.486 251 V N 2.384 122.324 119.914 0.042 0.000 2.339 251 V HA 0.077 4.197 4.120 -0.000 0.000 0.261 251 V C 1.406 177.512 176.094 0.020 0.000 1.058 251 V CA 0.016 62.337 62.300 0.035 0.000 0.897 251 V CB 1.096 32.963 31.823 0.073 0.000 1.052 251 V HN 0.313 nan 8.190 nan 0.000 0.480 252 L N 1.895 123.054 121.223 -0.107 0.000 2.201 252 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 252 L C 2.017 178.815 176.870 -0.119 0.000 1.105 252 L CA 0.918 55.595 54.840 -0.272 0.000 0.775 252 L CB -0.224 41.591 42.059 -0.407 0.000 0.913 252 L HN 0.589 nan 8.230 nan 0.000 0.440 253 D N -0.558 119.875 120.400 0.055 0.000 2.149 253 D HA -0.245 4.395 4.640 -0.000 0.000 0.198 253 D C 1.846 178.234 176.300 0.147 0.000 0.990 253 D CA 1.415 55.501 54.000 0.142 0.000 0.839 253 D CB 0.004 40.998 40.800 0.324 0.000 0.948 253 D HN 0.332 nan 8.370 nan 0.000 0.460 254 Y N 1.840 122.178 120.300 0.063 0.000 2.176 254 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 254 Y C 2.172 178.100 175.900 0.047 0.000 1.122 254 Y CA 1.273 59.413 58.100 0.066 0.000 1.128 254 Y CB 0.040 38.558 38.460 0.096 0.000 1.005 254 Y HN -0.206 nan 8.280 nan 0.000 0.509 255 E N 0.882 121.112 120.200 0.050 0.000 2.085 255 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 255 E C 2.230 178.851 176.600 0.034 0.000 0.994 255 E CA 1.883 58.275 56.400 -0.014 0.000 0.801 255 E CB -0.581 29.005 29.700 -0.190 0.000 0.743 255 E HN 0.698 nan 8.360 nan 0.000 0.453 256 R N 1.137 121.613 120.500 -0.040 0.000 2.115 256 R HA 0.112 4.452 4.340 -0.000 0.000 0.230 256 R C 1.400 177.725 176.300 0.042 0.000 1.111 256 R CA 1.020 57.186 56.100 0.109 0.000 0.976 256 R CB -0.379 29.957 30.300 0.061 0.000 0.870 256 R HN 0.031 nan 8.270 nan 0.000 0.445 260 R N 1.956 122.502 120.500 0.077 0.000 2.725 260 R HA 0.625 4.965 4.340 -0.000 0.000 0.277 260 R C -1.365 175.004 176.300 0.114 0.000 0.987 260 R CA -1.009 55.131 56.100 0.068 0.000 0.901 260 R CB 2.809 33.136 30.300 0.044 0.000 1.207 260 R HN 0.418 nan 8.270 nan 0.000 0.463 261 L N 1.725 122.997 121.223 0.082 0.000 2.326 261 L HA 0.271 4.611 4.340 -0.000 0.000 0.278 261 L C 0.350 177.286 176.870 0.109 0.000 1.092 261 L CA 0.209 55.110 54.840 0.102 0.000 0.810 261 L CB 1.199 43.291 42.059 0.054 0.000 1.153 261 L HN 0.808 nan 8.230 nan 0.000 0.439 262 S N 1.968 117.780 115.700 0.187 0.000 2.603 262 S HA 0.349 4.819 4.470 -0.000 0.000 0.268 262 S C -0.114 174.519 174.600 0.055 0.000 1.317 262 S CA -0.525 57.738 58.200 0.105 0.000 1.012 262 S CB 0.742 64.111 63.200 0.282 0.000 0.926 262 S HN 0.722 nan 8.310 nan 0.000 0.539 263 D N 0.299 120.704 120.400 0.008 0.000 2.376 263 D HA 0.317 4.957 4.640 -0.000 0.000 0.268 263 D C 1.185 177.498 176.300 0.021 0.000 1.252 263 D CA -0.185 53.820 54.000 0.008 0.000 1.041 263 D CB -0.588 40.206 40.800 -0.010 0.000 1.109 263 D HN 0.639 nan 8.370 nan 0.000 0.552 264 G N -1.597 107.210 108.800 0.013 0.000 3.327 264 G HA2 0.042 4.002 3.960 -0.000 0.000 0.240 264 G HA3 0.042 4.002 3.960 -0.000 0.000 0.240 264 G C 0.033 174.940 174.900 0.012 0.000 1.222 264 G CA -0.245 44.864 45.100 0.014 0.000 0.871 264 G HN 0.340 nan 8.290 nan 0.000 0.525 265 D N -0.029 120.378 120.400 0.011 0.000 2.369 265 D HA 0.080 4.720 4.640 -0.000 0.000 0.211 265 D C 0.965 177.275 176.300 0.016 0.000 1.077 265 D CA 0.051 54.056 54.000 0.008 0.000 0.842 265 D CB 0.725 41.523 40.800 -0.002 0.000 0.947 265 D HN 0.184 nan 8.370 nan 0.000 0.509 266 D N -0.225 120.196 120.400 0.034 0.000 2.191 266 D HA 0.239 4.879 4.640 -0.000 0.000 0.221 266 D C 1.582 177.897 176.300 0.026 0.000 1.006 266 D CA 1.481 55.510 54.000 0.048 0.000 0.910 266 D CB 0.400 41.261 40.800 0.102 0.000 1.031 266 D HN 0.212 nan 8.370 nan 0.000 0.447 267 G N -0.931 107.883 108.800 0.024 0.000 3.504 267 G HA2 0.121 4.081 3.960 -0.000 0.000 0.157 267 G HA3 0.121 4.081 3.960 -0.000 0.000 0.157 267 G C -0.934 173.972 174.900 0.009 0.000 1.245 267 G CA -0.508 44.596 45.100 0.007 0.000 1.410 267 G HN 0.118 nan 8.290 nan 0.000 0.731 268 E N 1.726 121.927 120.200 0.001 0.000 2.366 268 E HA 0.382 4.732 4.350 -0.000 0.000 0.266 268 E C -2.370 174.243 176.600 0.022 0.000 1.051 268 E CA -1.424 54.977 56.400 0.003 0.000 0.884 268 E CB 1.182 30.875 29.700 -0.012 0.000 1.006 268 E HN 0.046 nan 8.360 nan 0.000 0.417 269 P HA -0.034 nan 4.420 nan 0.000 0.266 269 P C -0.991 176.332 177.300 0.038 0.000 1.195 269 P CA 0.453 63.584 63.100 0.052 0.000 0.768 269 P CB 0.513 32.237 31.700 0.039 0.000 0.838 270 Q N 1.042 120.889 119.800 0.080 0.000 2.423 270 Q HA 0.462 4.802 4.340 -0.000 0.000 0.278 270 Q C -0.815 175.187 176.000 0.002 0.000 1.097 270 Q CA -1.023 54.764 55.803 -0.027 0.000 0.809 270 Q CB 1.999 30.644 28.738 -0.155 0.000 1.391 270 Q HN 0.333 nan 8.270 nan 0.000 0.428 271 L N 2.346 123.493 121.223 -0.126 0.000 2.313 271 L HA 0.339 4.679 4.340 -0.000 0.000 0.282 271 L C -0.963 175.773 176.870 -0.223 0.000 1.092 271 L CA 0.089 54.875 54.840 -0.090 0.000 0.831 271 L CB 0.099 42.076 42.059 -0.137 0.000 1.159 271 L HN 0.432 nan 8.230 nan 0.000 0.442 272 F N 1.258 121.179 119.950 -0.049 0.000 2.469 272 F HA 0.232 4.759 4.527 -0.000 0.000 0.332 272 F C 0.442 176.229 175.800 -0.023 0.000 1.103 272 F CA -0.951 57.027 58.000 -0.036 0.000 0.979 272 F CB 1.328 40.322 39.000 -0.010 0.000 1.137 272 F HN 0.340 nan 8.300 nan 0.000 0.463 273 D N 3.851 124.336 120.400 0.142 0.000 2.352 273 D HA 0.167 4.806 4.640 -0.000 0.000 0.245 273 D C 0.212 176.602 176.300 0.151 0.000 1.224 273 D CA 0.164 54.251 54.000 0.146 0.000 0.879 273 D CB 0.638 41.538 40.800 0.167 0.000 1.057 273 D HN 0.531 nan 8.370 nan 0.000 0.491 274 L N 3.176 124.469 121.223 0.116 0.000 2.783 274 L HA 0.049 4.389 4.340 -0.000 0.000 0.236 274 L C 1.687 178.606 176.870 0.081 0.000 1.225 274 L CA -0.062 54.825 54.840 0.079 0.000 1.026 274 L CB -0.176 41.913 42.059 0.051 0.000 1.314 274 L HN 0.322 nan 8.230 nan 0.000 0.489 275 S N -1.217 114.560 115.700 0.129 0.000 2.575 275 S HA 0.463 4.933 4.470 -0.000 0.000 0.215 275 S C 0.604 175.386 174.600 0.302 0.000 0.966 275 S CA 0.156 58.495 58.200 0.233 0.000 0.911 275 S CB 0.436 63.817 63.200 0.302 0.000 0.780 275 S HN 0.318 nan 8.310 nan 0.000 0.514 276 A N -0.088 122.818 122.820 0.142 0.000 2.515 276 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 276 A C -0.364 177.173 177.584 -0.078 0.000 1.065 276 A CA -0.607 51.476 52.037 0.076 0.000 0.641 276 A CB -0.210 18.859 19.000 0.115 0.000 1.306 276 A HN 0.264 nan 8.150 nan 0.000 0.441 277 H N -0.519 118.658 119.070 0.177 0.000 2.418 277 H HA 0.332 4.888 4.556 -0.000 0.000 0.300 277 H C 0.902 176.283 175.328 0.089 0.000 1.041 277 H CA 1.735 57.875 56.048 0.154 0.000 1.364 277 H CB 0.578 30.467 29.762 0.211 0.000 1.439 277 H HN 0.671 nan 8.280 nan 0.000 0.540 278 T N 0.463 115.131 114.554 0.190 0.000 2.903 278 T HA 0.556 4.906 4.350 -0.000 0.000 0.299 278 T C -1.306 173.438 174.700 0.074 0.000 1.093 278 T CA -0.574 61.593 62.100 0.112 0.000 1.002 278 T CB 1.068 69.992 68.868 0.093 0.000 1.127 278 T HN 0.107 nan 8.240 nan 0.000 0.488 279 V N 1.384 121.325 119.914 0.045 0.000 3.102 279 V HA 1.023 5.143 4.120 -0.000 0.000 0.312 279 V C -1.185 174.992 176.094 0.139 0.000 1.135 279 V CA -1.286 60.983 62.300 -0.052 0.000 1.022 279 V CB 1.488 33.172 31.823 -0.232 0.000 1.056 279 V HN 1.118 nan 8.190 nan 0.000 0.436 280 W N 1.067 122.355 121.300 -0.020 0.000 2.902 280 W HA 0.926 5.586 4.660 -0.000 0.000 0.346 280 W C -1.548 174.966 176.519 -0.009 0.000 1.139 280 W CA -1.496 55.843 57.345 -0.009 0.000 1.139 280 W CB 1.198 30.663 29.460 0.009 0.000 1.439 280 W HN 0.597 nan 8.180 nan 0.000 0.558 281 I N 2.952 123.621 120.570 0.165 0.000 2.362 281 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 281 I C 0.924 177.095 176.117 0.090 0.000 0.994 281 I CA -0.747 60.573 61.300 0.033 0.000 1.158 281 I CB 1.252 39.271 38.000 0.031 0.000 1.315 281 I HN 0.784 nan 8.210 nan 0.000 0.451 282 G N 3.160 111.965 108.800 0.009 0.000 2.621 282 G HA2 0.098 4.058 3.960 -0.000 0.000 0.271 282 G HA3 0.098 4.058 3.960 -0.000 0.000 0.271 282 G C 0.646 175.512 174.900 -0.057 0.000 1.236 282 G CA -0.147 44.969 45.100 0.026 0.000 0.958 282 G HN 0.717 nan 8.290 nan 0.000 0.512 283 E N -0.505 119.659 120.200 -0.061 0.000 2.153 283 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 283 E C 2.313 178.881 176.600 -0.053 0.000 0.988 283 E CA 1.205 57.572 56.400 -0.055 0.000 0.811 283 E CB 0.012 29.683 29.700 -0.049 0.000 0.746 283 E HN 0.514 nan 8.360 nan 0.000 0.466 284 R N -0.867 119.587 120.500 -0.076 0.000 2.310 284 R HA 0.106 4.446 4.340 -0.000 0.000 0.202 284 R C 1.022 177.254 176.300 -0.112 0.000 0.933 284 R CA 1.210 57.265 56.100 -0.074 0.000 1.054 284 R CB 0.325 30.583 30.300 -0.071 0.000 0.985 284 R HN 0.224 nan 8.270 nan 0.000 0.489 285 T N -2.214 112.232 114.554 -0.180 0.000 3.145 285 T HA 0.109 4.459 4.350 -0.000 0.000 0.281 285 T C 1.033 175.633 174.700 -0.167 0.000 1.003 285 T CA -0.620 61.286 62.100 -0.323 0.000 0.901 285 T CB 0.145 68.519 68.868 -0.824 0.000 1.112 285 T HN 0.230 nan 8.240 nan 0.000 0.535 286 R N 0.726 121.195 120.500 -0.051 0.000 2.391 286 R HA 0.329 4.669 4.340 -0.000 0.000 0.249 286 R C -0.406 176.006 176.300 0.187 0.000 0.957 286 R CA -0.582 55.547 56.100 0.048 0.000 1.093 286 R CB -0.523 29.751 30.300 -0.044 0.000 1.156 286 R HN 0.193 nan 8.270 nan 0.000 0.526 287 Q N 1.077 120.950 119.800 0.121 0.000 2.436 287 Q HA -0.102 4.238 4.340 -0.000 0.000 0.326 287 Q C 0.923 177.008 176.000 0.142 0.000 1.079 287 Q CA 0.117 55.990 55.803 0.118 0.000 1.049 287 Q CB 0.473 29.260 28.738 0.082 0.000 1.047 287 Q HN 0.312 nan 8.270 nan 0.000 0.386 288 I N 2.117 122.742 120.570 0.091 0.000 2.264 288 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 288 I C 0.626 176.762 176.117 0.032 0.000 1.111 288 I CA 1.769 63.079 61.300 0.016 0.000 1.382 288 I CB 0.155 38.050 38.000 -0.174 0.000 1.060 288 I HN 0.647 nan 8.210 nan 0.000 0.418 289 D N 0.516 120.935 120.400 0.031 0.000 2.368 289 D HA 0.206 4.846 4.640 -0.000 0.000 0.218 289 D C 0.806 177.140 176.300 0.056 0.000 1.112 289 D CA 0.314 54.334 54.000 0.033 0.000 0.834 289 D CB 0.009 40.817 40.800 0.014 0.000 0.953 289 D HN 0.377 nan 8.370 nan 0.000 0.505 290 G N 0.140 108.992 108.800 0.086 0.000 2.562 290 G HA2 0.342 4.302 3.960 -0.000 0.000 0.275 290 G HA3 0.342 4.302 3.960 -0.000 0.000 0.275 290 G C 1.170 176.139 174.900 0.115 0.000 1.196 290 G CA 0.026 45.191 45.100 0.108 0.000 0.908 290 G HN 0.060 nan 8.290 nan 0.000 0.524 291 A N -0.473 122.403 122.820 0.093 0.000 1.972 291 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 291 A C 2.001 179.608 177.584 0.038 0.000 1.169 291 A CA 2.119 54.172 52.037 0.026 0.000 0.635 291 A CB -0.694 18.256 19.000 -0.084 0.000 0.810 291 A HN 0.770 nan 8.150 nan 0.000 0.446 292 H N -0.367 118.745 119.070 0.071 0.000 2.299 292 H HA -0.030 4.526 4.556 -0.000 0.000 0.302 292 H C 1.994 177.408 175.328 0.144 0.000 1.078 292 H CA 1.629 57.729 56.048 0.087 0.000 1.323 292 H CB -0.140 29.640 29.762 0.031 0.000 1.381 292 H HN 0.333 nan 8.280 nan 0.000 0.498 293 I N 0.807 121.529 120.570 0.253 0.000 2.163 293 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 293 I C 2.567 178.773 176.117 0.148 0.000 1.085 293 I CA 1.448 62.865 61.300 0.194 0.000 1.347 293 I CB -1.433 36.694 38.000 0.212 0.000 1.044 293 I HN 0.302 nan 8.210 nan 0.000 0.408 294 A N 0.341 123.242 122.820 0.134 0.000 1.933 294 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 294 A C 2.313 179.958 177.584 0.101 0.000 1.175 294 A CA 1.428 53.521 52.037 0.093 0.000 0.628 294 A CB -1.054 17.994 19.000 0.079 0.000 0.814 294 A HN 0.390 nan 8.150 nan 0.000 0.444 295 F N 1.003 120.950 119.950 -0.005 0.000 2.102 295 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 295 F C 2.508 178.302 175.800 -0.011 0.000 1.105 295 F CA 1.197 59.184 58.000 -0.022 0.000 1.239 295 F CB -0.434 38.535 39.000 -0.052 0.000 0.991 295 F HN 0.242 nan 8.300 nan 0.000 0.474 296 A N -0.135 122.761 122.820 0.126 0.000 1.986 296 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 296 A C 2.093 179.634 177.584 -0.071 0.000 1.171 296 A CA 1.973 54.023 52.037 0.020 0.000 0.640 296 A CB -0.817 18.243 19.000 0.099 0.000 0.811 296 A HN 0.649 nan 8.150 nan 0.000 0.451 297 Q N -1.175 118.595 119.800 -0.049 0.000 2.378 297 Q HA 0.035 4.375 4.340 -0.000 0.000 0.205 297 Q C 1.726 177.662 176.000 -0.107 0.000 0.954 297 Q CA 0.957 56.728 55.803 -0.054 0.000 0.901 297 Q CB 0.015 28.741 28.738 -0.021 0.000 0.981 297 Q HN 0.487 nan 8.270 nan 0.000 0.483 298 V N 1.196 120.998 119.914 -0.186 0.000 3.174 298 V HA 0.035 4.155 4.120 -0.000 0.000 0.254 298 V C 1.030 176.941 176.094 -0.306 0.000 1.120 298 V CA 0.458 62.622 62.300 -0.226 0.000 1.114 298 V CB 0.098 31.774 31.823 -0.244 0.000 0.756 298 V HN 0.272 nan 8.190 nan 0.000 0.467 299 I N -2.426 117.915 120.570 -0.382 0.000 2.664 299 I HA 0.643 4.813 4.170 -0.000 0.000 0.308 299 I C 1.141 177.051 176.117 -0.346 0.000 0.984 299 I CA -0.226 60.839 61.300 -0.392 0.000 1.213 299 I CB 1.632 39.383 38.000 -0.414 0.000 1.379 299 I HN -0.066 nan 8.210 nan 0.000 0.501 300 A N 3.359 125.869 122.820 -0.518 0.000 2.132 300 A HA 0.143 4.463 4.320 -0.000 0.000 0.213 300 A C 0.752 178.132 177.584 -0.340 0.000 1.154 300 A CA 0.111 51.787 52.037 -0.601 0.000 0.753 300 A CB -0.977 17.207 19.000 -1.359 0.000 0.826 300 A HN 0.872 nan 8.150 nan 0.000 0.469 301 N N 1.288 119.871 118.700 -0.195 0.000 2.395 301 N HA 0.285 5.025 4.740 -0.000 0.000 0.246 301 N C -2.787 172.711 175.510 -0.021 0.000 1.246 301 N CA -0.698 52.346 53.050 -0.010 0.000 0.879 301 N CB -0.223 38.289 38.487 0.041 0.000 1.098 301 N HN 0.114 nan 8.380 nan 0.000 0.444 302 P HA 0.010 nan 4.420 nan 0.000 0.267 302 P C -0.672 176.636 177.300 0.012 0.000 1.200 302 P CA -0.119 62.977 63.100 -0.007 0.000 0.772 302 P CB 0.567 32.254 31.700 -0.021 0.000 0.855 303 V N -0.448 119.472 119.914 0.011 0.000 3.102 303 V HA 0.990 5.109 4.120 -0.000 0.000 0.312 303 V C -0.149 175.970 176.094 0.041 0.000 1.135 303 V CA -0.864 61.462 62.300 0.042 0.000 1.022 303 V CB 1.944 33.787 31.823 0.035 0.000 1.056 303 V HN 0.649 nan 8.190 nan 0.000 0.436 304 G N 0.036 108.898 108.800 0.104 0.000 2.569 304 G HA2 0.716 4.676 3.960 -0.000 0.000 0.300 304 G HA3 0.716 4.676 3.960 -0.000 0.000 0.300 304 G C -1.598 173.344 174.900 0.070 0.000 1.269 304 G CA -0.944 44.199 45.100 0.072 0.000 0.959 304 G HN 1.156 nan 8.290 nan 0.000 0.478 305 V N 1.436 121.330 119.914 -0.033 0.000 2.623 305 V HA 0.388 4.508 4.120 -0.000 0.000 0.304 305 V C -0.675 175.350 176.094 -0.116 0.000 1.054 305 V CA -1.238 60.994 62.300 -0.114 0.000 0.882 305 V CB 1.955 33.568 31.823 -0.349 0.000 1.002 305 V HN 0.618 nan 8.190 nan 0.000 0.424 306 K N 4.949 125.302 120.400 -0.079 0.000 2.322 306 K HA 0.535 4.855 4.320 -0.000 0.000 0.283 306 K C -0.854 175.691 176.600 -0.091 0.000 1.042 306 K CA -0.112 56.122 56.287 -0.088 0.000 0.958 306 K CB 1.355 33.806 32.500 -0.081 0.000 0.984 306 K HN 0.511 nan 8.250 nan 0.000 0.473 307 L N 2.425 123.622 121.223 -0.044 0.000 2.316 307 L HA 0.359 4.699 4.340 -0.000 0.000 0.280 307 L C 0.864 177.746 176.870 0.021 0.000 1.006 307 L CA -0.749 54.091 54.840 0.000 0.000 0.836 307 L CB 1.677 43.770 42.059 0.058 0.000 1.221 307 L HN 0.674 nan 8.230 nan 0.000 0.418 308 G N 2.429 111.240 108.800 0.019 0.000 2.532 308 G HA2 0.400 4.359 3.960 -0.000 0.000 0.291 308 G HA3 0.400 4.359 3.960 -0.000 0.000 0.291 308 G C -1.560 173.356 174.900 0.027 0.000 1.349 308 G CA -0.825 44.288 45.100 0.022 0.000 1.038 308 G HN 0.462 nan 8.290 nan 0.000 0.518 309 P HA -0.056 nan 4.420 nan 0.000 0.225 309 P C 0.319 177.628 177.300 0.014 0.000 1.148 309 P CA 0.643 63.745 63.100 0.004 0.000 0.779 309 P CB -0.212 31.480 31.700 -0.014 0.000 0.780 313 P HA -0.117 nan 4.420 nan 0.000 0.216 313 P C 1.218 178.550 177.300 0.054 0.000 1.157 313 P CA 1.526 64.662 63.100 0.061 0.000 0.880 313 P CB 0.083 31.805 31.700 0.036 0.000 0.791 314 E N -0.866 119.351 120.200 0.028 0.000 2.051 314 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 314 E C 1.904 178.494 176.600 -0.016 0.000 0.991 314 E CA 0.802 57.205 56.400 0.005 0.000 0.799 314 E CB -1.348 28.348 29.700 -0.007 0.000 0.748 314 E HN 0.105 nan 8.360 nan 0.000 0.449 315 L N 0.587 121.800 121.223 -0.016 0.000 2.046 315 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 315 L C 2.070 178.932 176.870 -0.013 0.000 1.077 315 L CA 2.011 56.806 54.840 -0.076 0.000 0.747 315 L CB -0.904 41.140 42.059 -0.025 0.000 0.896 315 L HN 0.131 nan 8.230 nan 0.000 0.432 316 A N -1.184 121.721 122.820 0.141 0.000 1.917 316 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 316 A C 2.277 179.946 177.584 0.143 0.000 1.182 316 A CA 2.173 54.355 52.037 0.241 0.000 0.633 316 A CB -1.136 18.000 19.000 0.225 0.000 0.819 316 A HN 0.318 nan 8.150 nan 0.000 0.448 317 V N -0.192 119.759 119.914 0.061 0.000 2.427 317 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 317 V C 2.558 178.619 176.094 -0.055 0.000 1.051 317 V CA 2.321 64.625 62.300 0.006 0.000 1.048 317 V CB -0.631 31.198 31.823 0.010 0.000 0.666 317 V HN 0.733 nan 8.190 nan 0.000 0.456 318 E N -0.233 119.911 120.200 -0.093 0.000 2.077 318 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 318 E C 2.002 178.504 176.600 -0.164 0.000 0.989 318 E CA 1.622 57.926 56.400 -0.160 0.000 0.800 318 E CB -0.391 29.172 29.700 -0.228 0.000 0.746 318 E HN 0.636 nan 8.360 nan 0.000 0.452 319 Y N -0.149 120.123 120.300 -0.046 0.000 2.114 319 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 319 Y C 2.425 178.268 175.900 -0.096 0.000 1.165 319 Y CA 1.427 59.495 58.100 -0.052 0.000 1.148 319 Y CB -0.920 37.520 38.460 -0.034 0.000 0.972 319 Y HN -0.032 nan 8.280 nan 0.000 0.504 320 V N 0.042 119.972 119.914 0.027 0.000 2.287 320 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 320 V C 2.032 177.967 176.094 -0.264 0.000 1.053 320 V CA 2.234 64.445 62.300 -0.149 0.000 1.027 320 V CB -0.608 31.078 31.823 -0.228 0.000 0.646 320 V HN 0.424 nan 8.190 nan 0.000 0.447 321 E N -0.434 119.625 120.200 -0.236 0.000 2.204 321 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 321 E C 2.459 178.991 176.600 -0.113 0.000 0.989 321 E CA 0.724 56.999 56.400 -0.207 0.000 0.824 321 E CB -0.099 29.520 29.700 -0.134 0.000 0.756 321 E HN 0.535 nan 8.360 nan 0.000 0.477 322 R N 0.044 120.498 120.500 -0.076 0.000 2.127 322 R HA 0.052 4.392 4.340 -0.000 0.000 0.217 322 R C 2.080 178.365 176.300 -0.024 0.000 1.074 322 R CA 0.675 56.749 56.100 -0.042 0.000 0.991 322 R CB 0.094 30.384 30.300 -0.017 0.000 0.895 322 R HN 0.167 nan 8.270 nan 0.000 0.450 323 L N -0.428 120.789 121.223 -0.010 0.000 2.513 323 L HA 0.095 4.435 4.340 -0.000 0.000 0.222 323 L C 0.401 177.265 176.870 -0.009 0.000 1.096 323 L CA 0.299 55.141 54.840 0.003 0.000 0.857 323 L CB 0.354 42.431 42.059 0.031 0.000 1.026 323 L HN -0.028 nan 8.230 nan 0.000 0.469 324 D N -0.005 120.379 120.400 -0.027 0.000 2.886 324 D HA 0.126 4.766 4.640 -0.000 0.000 0.355 324 D C -1.620 174.732 176.300 0.087 0.000 1.274 324 D CA -1.753 52.271 54.000 0.039 0.000 0.836 324 D CB 0.660 41.503 40.800 0.072 0.000 1.109 324 D HN -0.038 nan 8.370 nan 0.000 0.488 325 P HA -0.070 nan 4.420 nan 0.000 0.229 325 P C 0.439 177.631 177.300 -0.180 0.000 1.160 325 P CA 0.794 63.824 63.100 -0.116 0.000 0.777 325 P CB 0.124 31.657 31.700 -0.279 0.000 0.814 326 H N -1.129 117.982 119.070 0.069 0.000 2.529 326 H HA 0.210 4.766 4.556 -0.000 0.000 0.277 326 H C 0.218 175.543 175.328 -0.005 0.000 1.004 326 H CA -0.102 55.960 56.048 0.023 0.000 1.167 326 H CB -0.715 29.046 29.762 -0.000 0.000 1.445 326 H HN 0.074 nan 8.280 nan 0.000 0.554 327 N N 1.789 120.542 118.700 0.088 0.000 2.708 327 N HA -0.173 4.566 4.740 -0.000 0.000 0.255 327 N C -1.247 174.264 175.510 0.003 0.000 1.046 327 N CA -0.096 52.907 53.050 -0.079 0.000 0.715 327 N CB -0.273 38.022 38.487 -0.320 0.000 0.895 327 N HN 0.162 nan 8.380 nan 0.000 0.545 328 K N 1.434 121.873 120.400 0.064 0.000 2.347 328 K HA 0.345 4.665 4.320 -0.000 0.000 0.262 328 K C -2.551 174.063 176.600 0.023 0.000 1.052 328 K CA -1.514 54.794 56.287 0.036 0.000 0.946 328 K CB 1.495 34.020 32.500 0.042 0.000 1.220 328 K HN 0.170 nan 8.250 nan 0.000 0.450 329 P HA -0.013 nan 4.420 nan 0.000 0.266 329 P C 0.915 178.207 177.300 -0.013 0.000 1.195 329 P CA 0.774 63.873 63.100 -0.003 0.000 0.768 329 P CB 0.633 32.329 31.700 -0.007 0.000 0.838 330 G N 2.934 111.717 108.800 -0.029 0.000 2.268 330 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.240 330 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.240 330 G C 1.342 176.217 174.900 -0.042 0.000 1.010 330 G CA 0.498 45.573 45.100 -0.041 0.000 0.618 330 G HN 0.618 nan 8.290 nan 0.000 0.516 331 R N 0.340 120.825 120.500 -0.024 0.000 2.120 331 R HA 0.278 4.618 4.340 -0.000 0.000 0.234 331 R C 0.986 177.267 176.300 -0.032 0.000 1.123 331 R CA 1.903 57.992 56.100 -0.019 0.000 0.975 331 R CB -0.269 30.034 30.300 0.005 0.000 0.866 331 R HN 0.861 nan 8.270 nan 0.000 0.446 332 L N 0.279 121.470 121.223 -0.052 0.000 2.385 332 L HA 0.497 4.837 4.340 -0.000 0.000 0.273 332 L C -1.403 175.387 176.870 -0.134 0.000 0.990 332 L CA -0.250 54.543 54.840 -0.079 0.000 0.821 332 L CB 2.448 44.457 42.059 -0.083 0.000 1.279 332 L HN 0.052 nan 8.230 nan 0.000 0.412 333 T N 5.932 120.411 114.554 -0.125 0.000 2.779 333 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 333 T C -0.375 174.222 174.700 -0.171 0.000 0.987 333 T CA -0.312 61.690 62.100 -0.162 0.000 0.966 333 T CB 0.902 69.704 68.868 -0.109 0.000 0.933 333 T HN 0.428 nan 8.240 nan 0.000 0.442 334 L N 3.521 124.594 121.223 -0.251 0.000 2.257 334 L HA 0.507 4.847 4.340 -0.000 0.000 0.290 334 L C -0.417 176.444 176.870 -0.015 0.000 1.044 334 L CA -0.963 53.777 54.840 -0.167 0.000 0.810 334 L CB 1.249 43.132 42.059 -0.293 0.000 1.193 334 L HN 0.361 nan 8.230 nan 0.000 0.425 335 V N 2.447 122.348 119.914 -0.021 0.000 2.294 335 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 335 V C 0.545 176.643 176.094 0.007 0.000 1.027 335 V CA -0.315 61.968 62.300 -0.029 0.000 0.823 335 V CB 1.190 32.941 31.823 -0.122 0.000 1.030 335 V HN 0.787 nan 8.190 nan 0.000 0.457 336 S N 5.938 121.685 115.700 0.078 0.000 2.488 336 S HA 0.556 5.026 4.470 -0.000 0.000 0.278 336 S C 0.141 174.741 174.600 0.002 0.000 1.259 336 S CA -0.465 57.792 58.200 0.096 0.000 1.061 336 S CB -0.024 63.315 63.200 0.231 0.000 0.910 336 S HN 0.851 nan 8.310 nan 0.000 0.491 340 N N 0.654 119.459 118.700 0.174 0.000 2.309 340 N HA -0.176 4.564 4.740 -0.000 0.000 0.182 340 N C 1.489 177.076 175.510 0.130 0.000 1.018 340 N CA 1.912 55.040 53.050 0.129 0.000 0.876 340 N CB -0.432 38.125 38.487 0.116 0.000 0.972 340 N HN 0.798 nan 8.380 nan 0.000 0.434 341 H N -0.288 118.796 119.070 0.023 0.000 2.529 341 H HA 0.223 4.779 4.556 -0.000 0.000 0.277 341 H C 0.757 176.095 175.328 0.018 0.000 0.999 341 H CA 0.537 56.595 56.048 0.017 0.000 1.256 341 H CB -0.071 29.700 29.762 0.015 0.000 1.402 341 H HN 0.283 nan 8.280 nan 0.000 0.566 342 K N 0.196 120.382 120.400 -0.357 0.000 2.399 342 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 342 K C 2.015 178.545 176.600 -0.116 0.000 1.103 342 K CA 0.454 56.584 56.287 -0.261 0.000 0.986 342 K CB 0.852 33.135 32.500 -0.363 0.000 0.952 342 K HN 0.021 nan 8.250 nan 0.000 0.541 343 V N 1.765 121.638 119.914 -0.068 0.000 2.343 343 V HA -0.236 3.883 4.120 -0.000 0.000 0.247 343 V C 1.931 178.007 176.094 -0.030 0.000 1.051 343 V CA 1.765 64.055 62.300 -0.017 0.000 1.036 343 V CB -0.167 31.688 31.823 0.052 0.000 0.654 343 V HN 0.216 nan 8.190 nan 0.000 0.451 344 R N -0.184 120.301 120.500 -0.025 0.000 2.127 344 R HA -0.136 4.203 4.340 -0.000 0.000 0.238 344 R C 1.979 178.244 176.300 -0.059 0.000 1.134 344 R CA 1.971 58.047 56.100 -0.040 0.000 0.975 344 R CB -0.262 30.028 30.300 -0.017 0.000 0.865 344 R HN 0.613 nan 8.270 nan 0.000 0.447 345 D N -0.208 120.161 120.400 -0.051 0.000 2.262 345 D HA -0.017 4.623 4.640 -0.000 0.000 0.212 345 D C 1.888 178.154 176.300 -0.057 0.000 0.964 345 D CA 0.837 54.807 54.000 -0.051 0.000 0.875 345 D CB 0.188 40.965 40.800 -0.038 0.000 0.996 345 D HN 0.185 nan 8.370 nan 0.000 0.497 346 L N 0.321 121.510 121.223 -0.057 0.000 2.209 346 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 346 L C 2.287 179.123 176.870 -0.057 0.000 1.094 346 L CA 0.153 54.965 54.840 -0.047 0.000 0.790 346 L CB -0.049 41.987 42.059 -0.038 0.000 0.932 346 L HN -0.003 nan 8.230 nan 0.000 0.447 347 L N 0.815 121.989 121.223 -0.082 0.000 2.027 347 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 347 L C -0.479 176.261 176.870 -0.218 0.000 1.074 347 L CA 1.919 56.679 54.840 -0.134 0.000 0.745 347 L CB -1.348 40.621 42.059 -0.149 0.000 0.898 347 L HN 0.030 nan 8.230 nan 0.000 0.433 348 P HA -0.126 nan 4.420 nan 0.000 0.215 348 P C -1.399 175.795 177.300 -0.177 0.000 1.157 348 P CA 2.009 64.965 63.100 -0.240 0.000 0.874 348 P CB -1.186 30.406 31.700 -0.181 0.000 0.790 349 P HA -0.084 nan 4.420 nan 0.000 0.218 349 P C 1.530 178.805 177.300 -0.043 0.000 1.149 349 P CA 1.136 64.198 63.100 -0.064 0.000 0.817 349 P CB -0.456 31.222 31.700 -0.038 0.000 0.785 350 I N -1.136 119.407 120.570 -0.046 0.000 2.202 350 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 350 I C 2.252 178.381 176.117 0.020 0.000 1.091 350 I CA 1.245 62.561 61.300 0.028 0.000 1.368 350 I CB -0.764 37.277 38.000 0.067 0.000 1.058 350 I HN -0.200 nan 8.210 nan 0.000 0.410 351 V N 0.796 120.566 119.914 -0.239 0.000 2.287 351 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 351 V C 2.404 178.439 176.094 -0.099 0.000 1.053 351 V CA 1.957 63.986 62.300 -0.451 0.000 1.027 351 V CB -0.757 30.522 31.823 -0.907 0.000 0.646 351 V HN 0.441 nan 8.190 nan 0.000 0.447 352 E N -0.201 119.938 120.200 -0.102 0.000 2.070 352 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 352 E C 2.367 178.989 176.600 0.036 0.000 1.004 352 E CA 1.177 57.558 56.400 -0.031 0.000 0.805 352 E CB -0.231 29.442 29.700 -0.046 0.000 0.744 352 E HN 0.420 nan 8.360 nan 0.000 0.451 353 K N 0.709 121.139 120.400 0.050 0.000 2.026 353 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 353 K C 2.272 178.944 176.600 0.119 0.000 1.048 353 K CA 0.754 57.086 56.287 0.073 0.000 0.929 353 K CB -0.452 32.088 32.500 0.067 0.000 0.713 353 K HN 0.037 nan 8.250 nan 0.000 0.439 354 V N 1.879 121.911 119.914 0.197 0.000 2.358 354 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 354 V C 2.503 178.742 176.094 0.242 0.000 1.047 354 V CA 1.509 63.954 62.300 0.243 0.000 1.035 354 V CB -0.399 31.663 31.823 0.398 0.000 0.658 354 V HN 0.306 nan 8.190 nan 0.000 0.452 355 Q N 0.098 120.061 119.800 0.273 0.000 2.135 355 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 355 Q C 2.398 178.484 176.000 0.143 0.000 0.981 355 Q CA 1.979 57.913 55.803 0.218 0.000 0.856 355 Q CB -0.741 28.101 28.738 0.173 0.000 0.902 355 Q HN 0.666 nan 8.270 nan 0.000 0.425 356 A N 0.826 123.713 122.820 0.113 0.000 2.067 356 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 356 A C 2.182 179.820 177.584 0.090 0.000 1.158 356 A CA 1.818 53.904 52.037 0.082 0.000 0.661 356 A CB -0.676 18.360 19.000 0.060 0.000 0.801 356 A HN 0.534 nan 8.150 nan 0.000 0.452 357 T N -4.170 110.458 114.554 0.123 0.000 3.072 357 T HA 0.307 4.657 4.350 -0.000 0.000 0.266 357 T C 1.597 176.397 174.700 0.167 0.000 1.127 357 T CA 1.189 63.383 62.100 0.158 0.000 1.107 357 T CB -0.292 68.699 68.868 0.205 0.000 0.910 357 T HN 1.635 nan 8.240 nan 0.000 0.513 358 G N 0.915 109.788 108.800 0.122 0.000 2.205 358 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.261 358 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.261 358 G C 0.088 175.003 174.900 0.025 0.000 0.980 358 G CA 0.276 45.409 45.100 0.054 0.000 0.632 358 G HN 0.737 nan 8.290 nan 0.000 0.533 359 H N 0.604 119.691 119.070 0.028 0.000 2.615 359 H HA 0.387 4.943 4.556 -0.000 0.000 0.363 359 H C 0.246 175.580 175.328 0.010 0.000 1.148 359 H CA 0.324 56.377 56.048 0.009 0.000 1.401 359 H CB 0.629 30.387 29.762 -0.006 0.000 1.461 359 H HN 0.369 nan 8.280 nan 0.000 0.588 360 Q N 2.265 122.125 119.800 0.100 0.000 2.413 360 Q HA 0.291 4.631 4.340 -0.000 0.000 0.258 360 Q C -0.308 175.673 176.000 -0.031 0.000 1.037 360 Q CA -0.650 55.178 55.803 0.042 0.000 0.764 360 Q CB 1.837 30.592 28.738 0.029 0.000 1.217 360 Q HN 0.407 nan 8.270 nan 0.000 0.490 361 V N -0.021 119.804 119.914 -0.148 0.000 2.973 361 V HA 0.575 4.694 4.120 -0.000 0.000 0.314 361 V C 0.110 175.988 176.094 -0.360 0.000 1.066 361 V CA -0.930 61.181 62.300 -0.316 0.000 1.021 361 V CB 1.116 32.590 31.823 -0.583 0.000 1.076 361 V HN 0.572 nan 8.190 nan 0.000 0.462 362 I N 1.846 122.230 120.570 -0.310 0.000 2.395 362 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 362 I C -0.652 175.255 176.117 -0.351 0.000 1.023 362 I CA 0.105 61.265 61.300 -0.233 0.000 1.350 362 I CB 0.830 38.744 38.000 -0.144 0.000 1.409 362 I HN 0.688 nan 8.210 nan 0.000 0.507 363 W N 6.311 127.594 121.300 -0.028 0.000 2.316 363 W HA 0.455 5.115 4.660 -0.000 0.000 0.308 363 W C 0.155 176.721 176.519 0.077 0.000 1.106 363 W CA -0.344 57.028 57.345 0.046 0.000 1.262 363 W CB 0.636 30.097 29.460 0.001 0.000 1.233 363 W HN 0.418 nan 8.180 nan 0.000 0.447 364 Q N 3.452 123.395 119.800 0.238 0.000 2.356 364 Q HA 0.501 4.841 4.340 -0.000 0.000 0.270 364 Q C -1.150 174.675 176.000 -0.292 0.000 1.058 364 Q CA -0.782 54.974 55.803 -0.078 0.000 0.802 364 Q CB 2.299 30.952 28.738 -0.141 0.000 1.303 364 Q HN 0.650 nan 8.270 nan 0.000 0.444 365 C N 3.260 122.107 119.300 -0.756 0.000 2.295 365 C HA 0.475 4.935 4.460 -0.000 0.000 0.331 365 C C -0.661 174.101 174.990 -0.381 0.000 1.280 365 C CA -0.310 58.172 59.018 -0.893 0.000 1.746 365 C CB 0.566 27.363 27.740 -1.571 0.000 2.328 365 C HN 0.859 nan 8.230 nan 0.000 0.521 366 D N 7.989 128.243 120.400 -0.244 0.000 2.477 366 D HA 0.458 5.097 4.640 -0.000 0.000 0.239 366 D C -2.190 174.030 176.300 -0.133 0.000 1.102 366 D CA -1.566 52.333 54.000 -0.169 0.000 0.901 366 D CB 1.491 42.186 40.800 -0.175 0.000 1.026 366 D HN 0.467 nan 8.370 nan 0.000 0.515 370 G N -0.201 108.655 108.800 0.093 0.000 3.044 370 G HA2 0.050 4.010 3.960 -0.000 0.000 0.223 370 G HA3 0.050 4.010 3.960 -0.000 0.000 0.223 370 G C 0.154 175.129 174.900 0.125 0.000 1.123 370 G CA -0.071 45.089 45.100 0.099 0.000 0.765 370 G HN 0.022 nan 8.290 nan 0.000 0.546 371 N N 1.511 120.267 118.700 0.093 0.000 2.392 371 N HA 0.526 5.266 4.740 -0.000 0.000 0.283 371 N C -0.874 174.697 175.510 0.103 0.000 1.003 371 N CA 0.126 53.242 53.050 0.110 0.000 0.892 371 N CB 2.086 40.626 38.487 0.089 0.000 1.193 371 N HN 0.211 nan 8.380 nan 0.000 0.487 372 T N -1.522 113.113 114.554 0.135 0.000 2.831 372 T HA 0.391 4.741 4.350 -0.000 0.000 0.333 372 T C -1.186 173.627 174.700 0.188 0.000 1.684 372 T CA -0.935 61.237 62.100 0.120 0.000 1.049 372 T CB 2.194 71.114 68.868 0.085 0.000 1.518 372 T HN 0.659 nan 8.240 nan 0.000 0.491 373 H N -0.609 118.509 119.070 0.079 0.000 3.064 373 H HA 0.502 5.057 4.556 -0.000 0.000 0.352 373 H C 0.498 175.870 175.328 0.073 0.000 1.260 373 H CA -0.481 55.608 56.048 0.067 0.000 1.160 373 H CB 1.389 31.189 29.762 0.064 0.000 1.879 373 H HN 0.772 nan 8.280 nan 0.000 0.544 374 E N 1.629 121.915 120.200 0.144 0.000 2.094 374 E HA -0.242 4.108 4.350 -0.000 0.000 0.232 374 E C 0.131 176.740 176.600 0.015 0.000 1.055 374 E CA 2.993 59.436 56.400 0.072 0.000 0.923 374 E CB -0.008 29.750 29.700 0.097 0.000 0.815 374 E HN 0.731 nan 8.360 nan 0.000 0.502 380 K N 2.093 122.541 120.400 0.081 0.000 2.436 380 K HA 0.425 4.745 4.320 -0.000 0.000 0.282 380 K C 0.003 176.714 176.600 0.186 0.000 1.044 380 K CA 0.317 56.682 56.287 0.129 0.000 1.028 380 K CB 1.072 33.686 32.500 0.191 0.000 0.919 380 K HN 0.623 nan 8.250 nan 0.000 0.474 381 T N 2.443 116.990 114.554 -0.012 0.000 2.792 381 T HA 0.507 4.857 4.350 -0.000 0.000 0.303 381 T C -1.623 172.995 174.700 -0.137 0.000 1.310 381 T CA -0.941 61.129 62.100 -0.050 0.000 1.007 381 T CB 1.142 69.975 68.868 -0.058 0.000 1.335 381 T HN 0.602 nan 8.240 nan 0.000 0.504 382 R N 1.485 121.996 120.500 0.018 0.000 2.564 382 R HA 0.352 4.692 4.340 -0.000 0.000 0.284 382 R C -1.193 175.234 176.300 0.213 0.000 1.031 382 R CA -0.942 55.239 56.100 0.135 0.000 0.904 382 R CB 1.304 31.651 30.300 0.079 0.000 1.199 382 R HN 0.591 nan 8.270 nan 0.000 0.443 383 H N 3.390 122.604 119.070 0.240 0.000 2.646 383 H HA 0.035 4.591 4.556 -0.000 0.000 0.325 383 H C 0.518 175.957 175.328 0.184 0.000 1.075 383 H CA 0.144 56.319 56.048 0.212 0.000 1.421 383 H CB 0.732 30.584 29.762 0.151 0.000 1.461 383 H HN 0.595 nan 8.280 nan 0.000 0.525 384 F N 4.173 124.182 119.950 0.098 0.000 2.087 384 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 384 F C 1.696 177.645 175.800 0.249 0.000 1.100 384 F CA 1.976 60.064 58.000 0.146 0.000 1.226 384 F CB 0.142 39.185 39.000 0.072 0.000 0.983 384 F HN 0.582 nan 8.300 nan 0.000 0.479 385 D N -0.270 120.423 120.400 0.488 0.000 2.218 385 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 385 D C 2.405 178.721 176.300 0.027 0.000 0.976 385 D CA 1.026 55.121 54.000 0.158 0.000 0.853 385 D CB -0.334 40.527 40.800 0.102 0.000 0.939 385 D HN 0.352 nan 8.370 nan 0.000 0.481 386 R N -0.085 120.461 120.500 0.077 0.000 2.090 386 R HA 0.069 4.409 4.340 -0.000 0.000 0.228 386 R C 2.473 178.780 176.300 0.011 0.000 1.110 386 R CA 0.406 56.535 56.100 0.048 0.000 0.973 386 R CB -0.067 30.288 30.300 0.092 0.000 0.869 386 R HN 0.177 nan 8.270 nan 0.000 0.440 387 I N -0.076 120.474 120.570 -0.033 0.000 2.142 387 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 387 I C 2.112 178.140 176.117 -0.147 0.000 1.078 387 I CA 1.247 62.488 61.300 -0.097 0.000 1.343 387 I CB -0.244 37.671 38.000 -0.142 0.000 1.046 387 I HN -0.005 nan 8.210 nan 0.000 0.405 388 V N 0.773 120.521 119.914 -0.277 0.000 2.332 388 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 388 V C 2.139 178.197 176.094 -0.060 0.000 1.055 388 V CA 2.419 64.587 62.300 -0.221 0.000 1.038 388 V CB -0.674 30.967 31.823 -0.303 0.000 0.651 388 V HN 0.486 nan 8.190 nan 0.000 0.450 389 D N -0.455 119.926 120.400 -0.031 0.000 2.178 389 D HA -0.194 4.446 4.640 -0.000 0.000 0.202 389 D C 2.175 178.511 176.300 0.060 0.000 0.974 389 D CA 1.323 55.338 54.000 0.024 0.000 0.841 389 D CB 0.000 40.816 40.800 0.027 0.000 0.953 389 D HN 0.575 nan 8.370 nan 0.000 0.478 390 E N -0.573 119.657 120.200 0.051 0.000 2.051 390 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 390 E C 2.034 178.714 176.600 0.134 0.000 0.991 390 E CA 1.162 57.608 56.400 0.077 0.000 0.799 390 E CB 0.090 29.816 29.700 0.044 0.000 0.748 390 E HN 0.130 nan 8.360 nan 0.000 0.449 391 V N 1.054 121.037 119.914 0.114 0.000 2.343 391 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 391 V C 2.537 178.886 176.094 0.425 0.000 1.051 391 V CA 2.061 64.506 62.300 0.242 0.000 1.036 391 V CB -0.783 31.151 31.823 0.184 0.000 0.654 391 V HN 0.325 nan 8.190 nan 0.000 0.451 392 Q N 1.295 121.238 119.800 0.238 0.000 2.045 392 Q HA -0.165 4.174 4.340 -0.000 0.000 0.206 392 Q C 2.201 178.349 176.000 0.248 0.000 0.991 392 Q CA 2.566 58.493 55.803 0.208 0.000 0.851 392 Q CB -1.143 27.653 28.738 0.097 0.000 0.911 392 Q HN 0.540 nan 8.270 nan 0.000 0.418 393 G N -0.641 108.276 108.800 0.194 0.000 2.422 393 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 393 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 393 G C 1.318 176.320 174.900 0.171 0.000 1.146 393 G CA 0.644 45.831 45.100 0.147 0.000 0.769 393 G HN 0.465 nan 8.290 nan 0.000 0.547 394 F N 0.906 120.907 119.950 0.086 0.000 2.069 394 F HA -0.042 4.484 4.527 -0.000 0.000 0.298 394 F C 2.290 178.149 175.800 0.098 0.000 1.113 394 F CA 1.475 59.512 58.000 0.062 0.000 1.214 394 F CB -0.297 38.759 39.000 0.093 0.000 0.978 394 F HN 0.118 nan 8.300 nan 0.000 0.474 395 F N 1.166 121.237 119.950 0.202 0.000 2.126 395 F HA -0.187 4.339 4.527 -0.000 0.000 0.299 395 F C 2.425 178.215 175.800 -0.017 0.000 1.096 395 F CA 2.049 60.093 58.000 0.074 0.000 1.255 395 F CB -0.849 38.232 39.000 0.136 0.000 0.997 395 F HN 0.057 nan 8.300 nan 0.000 0.479 396 E N -0.220 120.074 120.200 0.156 0.000 2.085 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 396 E C 2.345 178.898 176.600 -0.079 0.000 0.994 396 E CA 1.559 57.985 56.400 0.043 0.000 0.801 396 E CB -0.423 29.303 29.700 0.043 0.000 0.743 396 E HN 0.151 nan 8.360 nan 0.000 0.453 397 V N 1.415 121.217 119.914 -0.185 0.000 2.252 397 V HA -0.308 3.811 4.120 -0.000 0.000 0.249 397 V C 2.189 178.004 176.094 -0.465 0.000 1.056 397 V CA 2.087 64.167 62.300 -0.367 0.000 1.022 397 V CB -0.657 30.846 31.823 -0.534 0.000 0.641 397 V HN 0.393 nan 8.190 nan 0.000 0.445 398 H N -0.221 118.612 119.070 -0.395 0.000 2.389 398 H HA -0.036 4.520 4.556 -0.000 0.000 0.299 398 H C 2.598 177.811 175.328 -0.191 0.000 1.081 398 H CA 1.325 57.146 56.048 -0.378 0.000 1.345 398 H CB -0.127 29.312 29.762 -0.538 0.000 1.393 398 H HN 0.287 nan 8.280 nan 0.000 0.520 399 R N 1.066 121.560 120.500 -0.010 0.000 2.083 399 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 399 R C 2.462 178.753 176.300 -0.015 0.000 1.137 399 R CA 1.157 57.270 56.100 0.023 0.000 0.951 399 R CB -1.220 29.114 30.300 0.058 0.000 0.851 399 R HN 0.329 nan 8.270 nan 0.000 0.434 400 A N 0.766 123.555 122.820 -0.050 0.000 1.972 400 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 400 A C 2.247 179.790 177.584 -0.069 0.000 1.169 400 A CA 1.216 53.219 52.037 -0.058 0.000 0.635 400 A CB -0.432 18.524 19.000 -0.074 0.000 0.810 400 A HN 0.241 nan 8.150 nan 0.000 0.446 401 L N -1.601 119.561 121.223 -0.101 0.000 2.529 401 L HA 0.212 4.552 4.340 -0.000 0.000 0.223 401 L C 1.663 178.508 176.870 -0.041 0.000 1.113 401 L CA 0.466 55.251 54.840 -0.091 0.000 0.861 401 L CB -0.180 41.784 42.059 -0.158 0.000 1.012 401 L HN 0.543 nan 8.230 nan 0.000 0.461 402 G N 1.153 109.942 108.800 -0.019 0.000 2.179 402 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.257 402 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.257 402 G C 0.386 175.310 174.900 0.040 0.000 1.010 402 G CA 0.557 45.666 45.100 0.016 0.000 0.736 402 G HN 0.411 nan 8.290 nan 0.000 0.513 403 T N -3.002 111.579 114.554 0.044 0.000 2.897 403 T HA 0.577 4.926 4.350 -0.000 0.000 0.278 403 T C 0.124 174.895 174.700 0.119 0.000 0.981 403 T CA -0.413 61.751 62.100 0.106 0.000 0.973 403 T CB 1.778 70.706 68.868 0.101 0.000 1.092 403 T HN 0.392 nan 8.240 nan 0.000 0.543 404 H N 2.110 121.179 119.070 -0.001 0.000 2.652 404 H HA 0.267 4.823 4.556 -0.000 0.000 0.298 404 H C -2.360 172.714 175.328 -0.422 0.000 1.076 404 H CA -2.406 53.588 56.048 -0.090 0.000 1.360 404 H CB 0.910 30.684 29.762 0.020 0.000 1.421 404 H HN 0.334 nan 8.280 nan 0.000 0.464 405 P HA 0.056 nan 4.420 nan 0.000 0.273 405 P C 0.748 177.616 177.300 -0.720 0.000 1.319 405 P CA 0.067 62.520 63.100 -1.079 0.000 0.885 405 P CB 0.664 31.642 31.700 -1.202 0.000 1.015 406 G N 2.401 110.898 108.800 -0.505 0.000 2.683 406 G HA2 0.380 4.340 3.960 -0.000 0.000 0.213 406 G HA3 0.380 4.340 3.960 -0.000 0.000 0.213 406 G C 0.583 175.070 174.900 -0.687 0.000 1.142 406 G CA 0.390 45.174 45.100 -0.528 0.000 0.793 406 G HN 0.758 nan 8.290 nan 0.000 0.534 407 G N -0.681 107.681 108.800 -0.731 0.000 2.322 407 G HA2 0.454 4.413 3.960 -0.000 0.000 0.295 407 G HA3 0.454 4.413 3.960 -0.000 0.000 0.295 407 G C -1.471 173.103 174.900 -0.545 0.000 1.369 407 G CA -0.422 43.965 45.100 -1.189 0.000 0.821 407 G HN 0.707 nan 8.290 nan 0.000 0.536 408 I N -2.643 117.699 120.570 -0.380 0.000 2.892 408 I HA 0.827 4.997 4.170 -0.000 0.000 0.306 408 I C -1.191 174.843 176.117 -0.139 0.000 1.078 408 I CA -1.181 60.019 61.300 -0.168 0.000 1.032 408 I CB 2.763 40.781 38.000 0.030 0.000 1.229 408 I HN 0.582 nan 8.210 nan 0.000 0.435 409 H N 3.553 122.496 119.070 -0.212 0.000 2.823 409 H HA 0.716 5.272 4.556 -0.000 0.000 0.332 409 H C -1.969 173.256 175.328 -0.171 0.000 0.980 409 H CA -0.579 55.337 56.048 -0.220 0.000 1.286 409 H CB 1.959 31.538 29.762 -0.306 0.000 1.541 409 H HN 0.567 nan 8.280 nan 0.000 0.521 410 V N 4.731 124.755 119.914 0.184 0.000 2.876 410 V HA 0.294 4.413 4.120 -0.000 0.000 0.312 410 V C -0.497 175.642 176.094 0.074 0.000 1.085 410 V CA -0.759 61.580 62.300 0.064 0.000 0.945 410 V CB 2.426 34.262 31.823 0.022 0.000 1.017 410 V HN 0.750 nan 8.190 nan 0.000 0.428 411 E N 4.634 124.838 120.200 0.007 0.000 2.129 411 E HA 0.694 5.044 4.350 -0.000 0.000 0.268 411 E C -0.877 175.725 176.600 0.003 0.000 0.900 411 E CA -0.211 56.198 56.400 0.016 0.000 0.755 411 E CB 1.793 31.485 29.700 -0.013 0.000 1.117 411 E HN 0.625 nan 8.360 nan 0.000 0.410 412 I N -1.011 119.565 120.570 0.009 0.000 3.102 412 I HA 0.721 4.891 4.170 -0.000 0.000 0.310 412 I C -0.872 175.235 176.117 -0.017 0.000 1.246 412 I CA -0.699 60.596 61.300 -0.008 0.000 0.979 412 I CB 2.707 40.700 38.000 -0.013 0.000 1.267 412 I HN 0.297 nan 8.210 nan 0.000 0.451 413 T N 1.155 115.688 114.554 -0.035 0.000 2.916 413 T HA 0.535 4.884 4.350 -0.000 0.000 0.305 413 T C 0.571 175.221 174.700 -0.084 0.000 1.119 413 T CA 0.009 62.080 62.100 -0.049 0.000 1.008 413 T CB 1.665 70.540 68.868 0.012 0.000 1.129 413 T HN 1.013 nan 8.240 nan 0.000 0.480 414 G N 1.659 110.377 108.800 -0.135 0.000 2.848 414 G HA2 0.138 4.098 3.960 -0.000 0.000 0.208 414 G HA3 0.138 4.098 3.960 -0.000 0.000 0.208 414 G C 0.250 175.093 174.900 -0.096 0.000 1.152 414 G CA 0.169 45.184 45.100 -0.143 0.000 0.789 414 G HN 0.713 nan 8.290 nan 0.000 0.531 415 E N 0.429 120.599 120.200 -0.050 0.000 2.301 415 E HA 0.158 4.508 4.350 -0.000 0.000 0.275 415 E C -0.359 176.220 176.600 -0.034 0.000 1.030 415 E CA -0.478 55.910 56.400 -0.021 0.000 0.852 415 E CB 0.618 30.335 29.700 0.028 0.000 1.060 415 E HN 0.429 nan 8.360 nan 0.000 0.401 416 N N 0.897 119.577 118.700 -0.032 0.000 3.210 416 N HA 0.053 4.793 4.740 -0.000 0.000 0.314 416 N C 0.159 175.645 175.510 -0.040 0.000 1.291 416 N CA -0.417 52.613 53.050 -0.033 0.000 1.202 416 N CB -0.081 38.391 38.487 -0.025 0.000 1.475 416 N HN 0.199 nan 8.380 nan 0.000 0.554 417 V N -1.903 117.980 119.914 -0.052 0.000 3.653 417 V HA 0.464 4.584 4.120 -0.000 0.000 0.282 417 V C 1.222 177.268 176.094 -0.079 0.000 0.993 417 V CA -0.097 62.159 62.300 -0.072 0.000 0.986 417 V CB 0.710 32.471 31.823 -0.103 0.000 1.249 417 V HN 0.496 nan 8.190 nan 0.000 0.423 418 T N -1.495 112.999 114.554 -0.100 0.000 3.485 418 T HA 0.366 4.715 4.350 -0.000 0.000 0.237 418 T C 0.001 174.649 174.700 -0.088 0.000 0.947 418 T CA 0.419 62.467 62.100 -0.087 0.000 1.490 418 T CB -0.672 68.151 68.868 -0.076 0.000 2.655 418 T HN 1.248 nan 8.240 nan 0.000 0.416 419 E N -0.209 119.956 120.200 -0.058 0.000 2.401 419 E HA -0.025 4.325 4.350 -0.000 0.000 0.272 419 E C 0.204 176.792 176.600 -0.019 0.000 1.895 419 E CA 0.652 57.041 56.400 -0.017 0.000 0.997 419 E CB -2.073 27.600 29.700 -0.045 0.000 0.834 419 E HN 1.181 nan 8.360 nan 0.000 0.334 420 C N 1.907 121.192 119.300 -0.025 0.000 3.993 420 C HA 0.348 4.808 4.460 -0.000 0.000 0.337 420 C C 0.828 175.707 174.990 -0.185 0.000 2.767 420 C CA -0.157 58.834 59.018 -0.046 0.000 1.487 420 C CB -0.855 nan 27.740 nan 0.000 2.755 420 C HN 0.734 nan 8.230 nan 0.000 0.401 433 A N 0.366 122.884 122.820 -0.503 0.000 2.209 433 A HA 0.125 4.445 4.320 -0.000 0.000 0.212 433 A C 1.900 179.423 177.584 -0.103 0.000 1.158 433 A CA 1.542 53.379 52.037 -0.333 0.000 0.742 433 A CB -0.710 18.271 19.000 -0.032 0.000 0.790 433 A HN 0.521 nan 8.150 nan 0.000 0.472 434 G N 0.970 109.713 108.800 -0.095 0.000 2.453 434 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.215 434 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.215 434 G C 1.012 175.899 174.900 -0.021 0.000 1.201 434 G CA 0.779 45.854 45.100 -0.042 0.000 0.784 434 G HN 0.685 nan 8.290 nan 0.000 0.545 435 R N -1.421 119.062 120.500 -0.028 0.000 2.754 435 R HA 0.275 4.615 4.340 -0.000 0.000 0.255 435 R C -1.494 174.799 176.300 -0.012 0.000 1.723 435 R CA -0.740 55.354 56.100 -0.011 0.000 1.596 435 R CB -0.410 29.876 30.300 -0.023 0.000 1.424 435 R HN 0.200 nan 8.270 nan 0.000 0.662 436 Y N 2.196 122.437 120.300 -0.099 0.000 2.584 436 Y HA 0.099 4.649 4.550 -0.000 0.000 0.351 436 Y C 0.492 176.382 175.900 -0.017 0.000 1.030 436 Y CA 0.589 58.647 58.100 -0.071 0.000 1.332 436 Y CB 0.777 39.183 38.460 -0.090 0.000 1.148 436 Y HN 0.496 nan 8.280 nan 0.000 0.528 437 E N 1.826 121.924 120.200 -0.170 0.000 2.514 437 E HA 0.013 4.363 4.350 -0.000 0.000 0.215 437 E C 0.395 176.887 176.600 -0.180 0.000 0.946 437 E CA -0.062 56.270 56.400 -0.114 0.000 1.038 437 E CB 0.691 30.327 29.700 -0.108 0.000 1.069 437 E HN 0.515 nan 8.360 nan 0.000 0.503 438 T N -0.190 114.206 114.554 -0.264 0.000 2.940 438 T HA 0.137 4.487 4.350 -0.000 0.000 0.309 438 T C 1.132 175.771 174.700 -0.101 0.000 1.056 438 T CA 0.377 62.366 62.100 -0.184 0.000 1.137 438 T CB 1.207 69.947 68.868 -0.212 0.000 0.976 438 T HN 0.148 nan 8.240 nan 0.000 0.547 439 A N 3.225 125.986 122.820 -0.099 0.000 2.119 439 A HA 0.224 4.543 4.320 -0.000 0.000 0.216 439 A C 1.795 179.565 177.584 0.309 0.000 1.152 439 A CA 0.832 52.858 52.037 -0.018 0.000 0.708 439 A CB -0.537 18.509 19.000 0.078 0.000 0.805 439 A HN 0.875 nan 8.150 nan 0.000 0.460 440 C N -1.953 117.470 119.300 0.205 0.000 3.704 440 C HA 0.398 4.858 4.460 -0.000 0.000 0.100 440 C C -0.778 174.328 174.990 0.194 0.000 2.715 440 C CA -0.173 58.981 59.018 0.228 0.000 1.416 440 C CB -0.467 27.368 27.740 0.159 0.000 2.723 440 C HN 0.444 nan 8.230 nan 0.000 0.460 441 D N 2.887 123.371 120.400 0.140 0.000 2.357 441 D HA 0.269 4.909 4.640 -0.000 0.000 0.242 441 D C -2.381 173.944 176.300 0.041 0.000 1.153 441 D CA -0.881 53.191 54.000 0.121 0.000 0.918 441 D CB 0.225 41.094 40.800 0.114 0.000 1.181 441 D HN 0.343 nan 8.370 nan 0.000 0.435 442 P HA 0.102 nan 4.420 nan 0.000 0.266 442 P C 0.000 177.265 177.300 -0.060 0.000 1.215 442 P CA -0.046 63.024 63.100 -0.051 0.000 0.763 442 P CB 0.735 32.460 31.700 0.042 0.000 0.806 443 R N 2.499 122.941 120.500 -0.097 0.000 2.745 443 R HA 0.494 4.834 4.340 -0.000 0.000 0.251 443 R C 0.265 176.548 176.300 -0.029 0.000 1.257 443 R CA -0.379 55.688 56.100 -0.055 0.000 1.102 443 R CB -0.089 30.178 30.300 -0.056 0.000 1.151 443 R HN 0.417 nan 8.270 nan 0.000 0.571 444 L N 1.628 122.847 121.223 -0.005 0.000 2.329 444 L HA 0.406 4.745 4.340 -0.000 0.000 0.279 444 L C -0.213 176.647 176.870 -0.016 0.000 1.014 444 L CA -1.199 53.654 54.840 0.022 0.000 0.814 444 L CB 1.600 43.706 42.059 0.078 0.000 1.257 444 L HN 0.697 nan 8.230 nan 0.000 0.424 445 N N -0.425 118.256 118.700 -0.033 0.000 2.285 445 N HA -0.012 4.728 4.740 -0.000 0.000 0.262 445 N C 0.992 176.475 175.510 -0.045 0.000 1.299 445 N CA 0.051 53.074 53.050 -0.045 0.000 0.930 445 N CB -0.164 38.292 38.487 -0.051 0.000 1.157 445 N HN 0.668 nan 8.380 nan 0.000 0.532 446 T N -1.272 113.250 114.554 -0.053 0.000 2.597 446 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 446 T C 1.529 176.183 174.700 -0.076 0.000 1.053 446 T CA 1.918 63.976 62.100 -0.069 0.000 1.165 446 T CB -0.460 68.367 68.868 -0.069 0.000 0.863 446 T HN 0.479 nan 8.240 nan 0.000 0.427 447 Q N 0.149 119.932 119.800 -0.029 0.000 2.096 447 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 447 Q C 2.633 178.604 176.000 -0.049 0.000 0.982 447 Q CA 1.939 57.755 55.803 0.022 0.000 0.850 447 Q CB -0.240 28.574 28.738 0.127 0.000 0.901 447 Q HN 0.722 nan 8.270 nan 0.000 0.422 448 Q N -0.353 119.408 119.800 -0.064 0.000 2.123 448 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 448 Q C 2.280 178.340 176.000 0.101 0.000 0.966 448 Q CA 1.068 56.826 55.803 -0.075 0.000 0.845 448 Q CB 0.107 28.802 28.738 -0.072 0.000 0.907 448 Q HN 0.196 nan 8.270 nan 0.000 0.439 449 S N 0.956 116.676 115.700 0.033 0.000 2.359 449 S HA -0.158 4.311 4.470 -0.000 0.000 0.224 449 S C 1.761 176.343 174.600 -0.030 0.000 1.035 449 S CA 0.991 59.204 58.200 0.021 0.000 1.018 449 S CB -0.261 62.922 63.200 -0.029 0.000 0.876 449 S HN 0.208 nan 8.310 nan 0.000 0.448 450 L N 1.877 123.007 121.223 -0.156 0.000 2.027 450 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 450 L C 2.327 179.079 176.870 -0.196 0.000 1.074 450 L CA 1.875 56.540 54.840 -0.290 0.000 0.745 450 L CB -1.026 40.611 42.059 -0.704 0.000 0.898 450 L HN 0.360 nan 8.230 nan 0.000 0.433 451 E N -0.963 119.120 120.200 -0.196 0.000 2.118 451 E HA -0.280 4.070 4.350 -0.000 0.000 0.195 451 E C 2.215 178.887 176.600 0.120 0.000 0.992 451 E CA 1.479 57.823 56.400 -0.093 0.000 0.804 451 E CB -0.209 29.522 29.700 0.053 0.000 0.741 451 E HN 0.390 nan 8.360 nan 0.000 0.458 452 L N 0.534 121.899 121.223 0.236 0.000 2.056 452 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 452 L C 2.233 179.147 176.870 0.074 0.000 1.078 452 L CA 2.006 56.954 54.840 0.180 0.000 0.749 452 L CB -0.647 41.499 42.059 0.145 0.000 0.901 452 L HN 0.185 nan 8.230 nan 0.000 0.433 453 A N -0.626 122.210 122.820 0.026 0.000 1.883 453 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 453 A C 2.155 179.683 177.584 -0.093 0.000 1.186 453 A CA 2.100 54.107 52.037 -0.051 0.000 0.624 453 A CB -1.249 17.680 19.000 -0.118 0.000 0.822 453 A HN 0.462 nan 8.150 nan 0.000 0.444 454 F N -0.068 119.805 119.950 -0.130 0.000 2.120 454 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 454 F C 2.159 177.959 175.800 0.001 0.000 1.095 454 F CA 1.697 59.638 58.000 -0.098 0.000 1.249 454 F CB -0.358 38.444 39.000 -0.330 0.000 0.995 454 F HN 0.113 nan 8.300 nan 0.000 0.480 455 L N -1.148 120.186 121.223 0.185 0.000 2.109 455 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 455 L C 2.227 179.105 176.870 0.013 0.000 1.086 455 L CA 0.495 55.433 54.840 0.164 0.000 0.760 455 L CB -0.623 41.546 42.059 0.182 0.000 0.910 455 L HN -0.051 nan 8.230 nan 0.000 0.437 456 V N -0.053 119.840 119.914 -0.036 0.000 2.548 456 V HA -0.197 3.922 4.120 -0.000 0.000 0.249 456 V C 2.721 178.675 176.094 -0.234 0.000 1.055 456 V CA 1.504 63.709 62.300 -0.158 0.000 1.065 456 V CB -0.740 31.066 31.823 -0.029 0.000 0.681 456 V HN 0.443 nan 8.190 nan 0.000 0.462 457 A N -0.533 122.201 122.820 -0.144 0.000 1.940 457 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 457 A C 1.465 178.994 177.584 -0.092 0.000 1.176 457 A CA 1.080 53.036 52.037 -0.135 0.000 0.631 457 A CB -0.298 18.645 19.000 -0.094 0.000 0.814 457 A HN 0.531 nan 8.150 nan 0.000 0.446 461 R N 0.729 121.183 120.500 -0.077 0.000 2.092 461 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 461 R C 0.024 176.313 176.300 -0.018 0.000 1.119 461 R CA 0.883 56.959 56.100 -0.041 0.000 0.970 461 R CB -0.211 30.078 30.300 -0.019 0.000 0.864 461 R HN 0.366 nan 8.270 nan 0.000 0.440 462 D N 0.000 120.387 120.400 -0.022 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.000 54.000 0.000 0.000 0.868 462 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683