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 1pcj_1_X DATA FIRST_RESID 6 DATA SEQUENCE APTLPASIFR AYDIRGVVGD TLTAETAYWI GRAIGSESLA RGEPCVAVGR DATA SEQUENCE DGRLSGPELV KQLIQGLVDC GCQVSDVGMV PTPVLYYAAN VLEGKSGVML DATA SEQUENCE TGXHNPPDYN GFKIVVAGET LANEQIQALR ERIEKNDLAS GVGSVEQVDI DATA SEQUENCE LPRYFKQIRD DIAMAKPMKV VVDCGNGVAG VIAPQLIEAL GCSVIPLYCE DATA SEQUENCE VDGNFPNHHP DPGKPENLKD LIAKVKAENA DLGLAFDGDG DRVGVVTNTG DATA SEQUENCE TIIYPDRLLM LFAKDVVSRN PGADIIFDVK CTRRLIALIS GYGGRPVMWK DATA SEQUENCE TGHSLIKKKM KETGALLAGE MSGHVFFKER WFGFDDGIYS AARLLEILSQ DATA SEQUENCE DQRDSEHVFS AFPSDISTPE INITVTEDSK FAIIEALQRD AQWGEGNITT DATA SEQUENCE LDGVRVDYPK GWGLVRASNT TPVLVLRFEA DTEEELERIK TVFRNQLKAV DATA SEQUENCE DSSLPVPF 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.194 177.584 -0.650 0.000 1.274 6 A CA 0.000 51.336 52.037 -1.168 0.000 0.836 6 A CB 0.000 18.294 19.000 -1.176 0.000 0.831 7 P HA 0.591 nan 4.420 nan 0.000 0.282 7 P C -0.452 176.724 177.300 -0.206 0.000 1.287 7 P CA -0.126 62.807 63.100 -0.278 0.000 0.792 7 P CB 0.600 32.213 31.700 -0.144 0.000 1.163 8 T N 1.153 115.647 114.554 -0.100 0.000 2.811 8 T HA 0.366 4.715 4.350 -0.001 0.000 0.309 8 T C 0.350 175.052 174.700 0.002 0.000 1.005 8 T CA -0.314 61.753 62.100 -0.055 0.000 0.955 8 T CB -0.518 68.326 68.868 -0.040 0.000 0.970 8 T HN 0.154 nan 8.240 nan 0.000 0.496 9 L N 5.253 126.499 121.223 0.038 0.000 2.375 9 L HA 0.432 4.771 4.340 -0.001 0.000 0.271 9 L C -1.587 175.373 176.870 0.151 0.000 1.107 9 L CA -2.276 52.639 54.840 0.126 0.000 0.806 9 L CB 0.062 42.263 42.059 0.236 0.000 1.146 9 L HN 0.320 nan 8.230 nan 0.000 0.447 10 P HA 0.070 nan 4.420 nan 0.000 0.271 10 P C 0.083 177.536 177.300 0.255 0.000 1.216 10 P CA -0.265 62.920 63.100 0.142 0.000 0.771 10 P CB 1.249 33.002 31.700 0.088 0.000 0.864 11 A N 3.150 126.091 122.820 0.202 0.000 2.015 11 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 11 A C 2.155 179.909 177.584 0.283 0.000 1.163 11 A CA 1.670 53.862 52.037 0.258 0.000 0.646 11 A CB -1.247 17.823 19.000 0.117 0.000 0.806 11 A HN 0.640 nan 8.150 nan 0.000 0.448 12 S N 0.829 116.628 115.700 0.164 0.000 2.419 12 S HA -0.156 4.314 4.470 -0.001 0.000 0.233 12 S C 1.782 176.427 174.600 0.076 0.000 1.016 12 S CA 1.180 59.446 58.200 0.109 0.000 0.974 12 S CB -0.957 62.281 63.200 0.063 0.000 0.786 12 S HN 0.876 nan 8.310 nan 0.000 0.492 13 I N -2.635 117.946 120.570 0.019 0.000 3.111 13 I HA 0.282 4.451 4.170 -0.001 0.000 0.272 13 I C -0.262 175.705 176.117 -0.249 0.000 1.268 13 I CA 0.115 61.328 61.300 -0.144 0.000 1.467 13 I CB -0.504 37.340 38.000 -0.260 0.000 1.087 13 I HN 0.023 nan 8.210 nan 0.000 0.467 14 F N 3.826 123.812 119.950 0.061 0.000 2.423 14 F HA 0.452 4.979 4.527 -0.001 0.000 0.356 14 F C 0.832 176.661 175.800 0.050 0.000 1.170 14 F CA -0.447 57.587 58.000 0.056 0.000 1.163 14 F CB 0.172 39.193 39.000 0.035 0.000 1.318 14 F HN -0.058 nan 8.300 nan 0.000 0.569 15 R N 1.172 121.762 120.500 0.151 0.000 2.810 15 R HA 0.614 4.954 4.340 -0.001 0.000 0.245 15 R C 1.115 177.447 176.300 0.053 0.000 1.168 15 R CA -0.286 55.860 56.100 0.078 0.000 1.096 15 R CB 0.711 31.028 30.300 0.028 0.000 1.259 15 R HN 0.559 nan 8.270 nan 0.000 0.518 16 A N 0.314 123.090 122.820 -0.073 0.000 1.933 16 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 16 A C 1.230 178.871 177.584 0.095 0.000 1.175 16 A CA 1.608 53.605 52.037 -0.067 0.000 0.628 16 A CB -0.383 18.496 19.000 -0.201 0.000 0.814 16 A HN 0.618 nan 8.150 nan 0.000 0.444 17 Y N -0.203 120.169 120.300 0.119 0.000 2.524 17 Y HA 0.289 4.838 4.550 -0.001 0.000 0.270 17 Y C 0.236 176.222 175.900 0.142 0.000 1.094 17 Y CA -0.486 57.665 58.100 0.085 0.000 1.276 17 Y CB 0.006 38.571 38.460 0.176 0.000 1.130 17 Y HN 0.605 nan 8.280 nan 0.000 0.536 18 D N -1.851 118.741 120.400 0.320 0.000 2.893 18 D HA 0.232 4.871 4.640 -0.001 0.000 0.346 18 D C -1.279 175.144 176.300 0.206 0.000 1.402 18 D CA -0.641 53.534 54.000 0.292 0.000 0.815 18 D CB 0.544 41.576 40.800 0.386 0.000 1.403 18 D HN -0.137 nan 8.370 nan 0.000 0.484 19 I N -0.308 120.379 120.570 0.195 0.000 2.359 19 I HA 0.530 4.699 4.170 -0.001 0.000 0.294 19 I C -0.242 175.953 176.117 0.130 0.000 0.987 19 I CA -0.652 60.700 61.300 0.086 0.000 1.225 19 I CB 1.192 39.214 38.000 0.036 0.000 1.366 19 I HN 0.135 nan 8.210 nan 0.000 0.466 20 R N 3.923 124.452 120.500 0.048 0.000 2.533 20 R HA 0.715 5.054 4.340 -0.001 0.000 0.288 20 R C -0.570 175.728 176.300 -0.003 0.000 1.039 20 R CA -0.658 55.477 56.100 0.059 0.000 0.909 20 R CB 2.415 32.778 30.300 0.104 0.000 1.195 20 R HN 0.835 nan 8.270 nan 0.000 0.438 21 G N 0.434 109.213 108.800 -0.034 0.000 2.721 21 G HA2 0.701 4.660 3.960 -0.001 0.000 0.296 21 G HA3 0.701 4.660 3.960 -0.001 0.000 0.296 21 G C -1.633 173.116 174.900 -0.251 0.000 1.383 21 G CA -0.412 44.619 45.100 -0.114 0.000 0.788 21 G HN 0.512 nan 8.290 nan 0.000 0.500 22 V N -0.025 119.723 119.914 -0.276 0.000 2.444 22 V HA 0.677 4.796 4.120 -0.001 0.000 0.294 22 V C 0.257 176.255 176.094 -0.160 0.000 1.022 22 V CA -1.045 61.044 62.300 -0.353 0.000 0.850 22 V CB 1.616 33.189 31.823 -0.417 0.000 0.992 22 V HN 0.651 nan 8.190 nan 0.000 0.426 23 V N 5.290 125.139 119.914 -0.109 0.000 2.572 23 V HA 0.583 4.702 4.120 -0.001 0.000 0.291 23 V C 1.642 177.714 176.094 -0.036 0.000 1.039 23 V CA 1.663 63.934 62.300 -0.049 0.000 1.055 23 V CB 0.433 32.237 31.823 -0.032 0.000 0.969 23 V HN 2.026 nan 8.190 nan 0.000 0.482 24 G N 3.401 112.191 108.800 -0.016 0.000 2.268 24 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.240 24 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.240 24 G C 0.468 175.361 174.900 -0.012 0.000 1.010 24 G CA 0.657 45.751 45.100 -0.009 0.000 0.618 24 G HN 0.745 nan 8.290 nan 0.000 0.516 25 D N -0.393 119.990 120.400 -0.029 0.000 2.931 25 D HA 0.159 4.799 4.640 -0.001 0.000 0.241 25 D C 2.547 178.834 176.300 -0.021 0.000 1.494 25 D CA 2.252 56.234 54.000 -0.030 0.000 1.260 25 D CB -0.537 40.229 40.800 -0.057 0.000 0.953 25 D HN 0.400 nan 8.370 nan 0.000 0.240 26 T N -0.969 113.559 114.554 -0.043 0.000 3.129 26 T HA 0.210 4.559 4.350 -0.001 0.000 0.251 26 T C 0.449 175.147 174.700 -0.003 0.000 1.117 26 T CA -0.139 61.947 62.100 -0.022 0.000 1.034 26 T CB 0.199 69.043 68.868 -0.040 0.000 0.968 26 T HN 0.078 nan 8.240 nan 0.000 0.526 27 L N 2.683 123.904 121.223 -0.003 0.000 2.441 27 L HA 0.618 4.957 4.340 -0.001 0.000 0.270 27 L C -0.275 176.625 176.870 0.049 0.000 0.973 27 L CA -0.374 54.489 54.840 0.038 0.000 0.842 27 L CB 1.706 43.781 42.059 0.027 0.000 1.239 27 L HN 0.370 nan 8.230 nan 0.000 0.406 28 T N 1.063 115.668 114.554 0.084 0.000 2.905 28 T HA 0.750 5.099 4.350 -0.001 0.000 0.283 28 T C 1.117 175.884 174.700 0.113 0.000 1.031 28 T CA -0.142 62.007 62.100 0.082 0.000 1.002 28 T CB 1.316 70.233 68.868 0.082 0.000 1.200 28 T HN 0.599 nan 8.240 nan 0.000 0.560 29 A N -0.035 122.841 122.820 0.093 0.000 1.908 29 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 29 A C 2.228 179.896 177.584 0.141 0.000 1.181 29 A CA 1.707 53.804 52.037 0.101 0.000 0.627 29 A CB -1.167 17.870 19.000 0.062 0.000 0.818 29 A HN 0.953 nan 8.150 nan 0.000 0.445 30 E N -0.989 119.302 120.200 0.151 0.000 2.110 30 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 30 E C 2.013 178.827 176.600 0.356 0.000 0.988 30 E CA 1.629 58.168 56.400 0.231 0.000 0.804 30 E CB -0.151 29.698 29.700 0.247 0.000 0.745 30 E HN 0.609 nan 8.360 nan 0.000 0.458 31 T N 0.421 115.143 114.554 0.280 0.000 2.821 31 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 31 T C 1.850 176.681 174.700 0.217 0.000 1.046 31 T CA 1.059 63.324 62.100 0.275 0.000 1.139 31 T CB -0.115 68.868 68.868 0.192 0.000 0.871 31 T HN 0.235 nan 8.240 nan 0.000 0.454 32 A N 0.527 123.488 122.820 0.234 0.000 1.933 32 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 32 A C 2.046 179.685 177.584 0.092 0.000 1.175 32 A CA 1.604 53.792 52.037 0.252 0.000 0.628 32 A CB -1.012 18.194 19.000 0.342 0.000 0.814 32 A HN 0.616 nan 8.150 nan 0.000 0.444 33 Y N -1.032 119.252 120.300 -0.026 0.000 2.097 33 Y HA -0.269 4.280 4.550 -0.001 0.000 0.282 33 Y C 2.101 177.832 175.900 -0.281 0.000 1.152 33 Y CA 2.126 60.097 58.100 -0.215 0.000 1.136 33 Y CB -0.520 37.707 38.460 -0.387 0.000 0.975 33 Y HN 0.439 nan 8.280 nan 0.000 0.498 34 W N 0.044 121.370 121.300 0.043 0.000 2.436 34 W HA -0.072 4.588 4.660 -0.001 0.000 0.284 34 W C 2.271 178.713 176.519 -0.128 0.000 1.225 34 W CA 0.956 58.276 57.345 -0.041 0.000 1.271 34 W CB -0.311 29.210 29.460 0.101 0.000 1.114 34 W HN 0.046 nan 8.180 nan 0.000 0.559 35 I N 0.162 120.743 120.570 0.019 0.000 2.226 35 I HA -0.193 3.976 4.170 -0.001 0.000 0.245 35 I C 2.703 178.689 176.117 -0.218 0.000 1.100 35 I CA 1.559 62.763 61.300 -0.160 0.000 1.374 35 I CB -1.046 36.626 38.000 -0.547 0.000 1.057 35 I HN 0.072 nan 8.210 nan 0.000 0.413 36 G N 0.427 109.073 108.800 -0.257 0.000 2.440 36 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.218 36 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.218 36 G C 1.734 176.484 174.900 -0.250 0.000 1.154 36 G CA 0.659 45.617 45.100 -0.236 0.000 0.767 36 G HN 0.173 nan 8.290 nan 0.000 0.552 37 R N 0.860 121.146 120.500 -0.356 0.000 2.081 37 R HA 0.068 4.407 4.340 -0.001 0.000 0.235 37 R C 2.834 179.089 176.300 -0.075 0.000 1.131 37 R CA 1.697 57.647 56.100 -0.250 0.000 0.960 37 R CB -0.723 29.424 30.300 -0.254 0.000 0.856 37 R HN 0.290 nan 8.270 nan 0.000 0.436 38 A N -0.118 122.684 122.820 -0.030 0.000 1.897 38 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 38 A C 2.225 179.797 177.584 -0.019 0.000 1.181 38 A CA 1.347 53.385 52.037 0.002 0.000 0.620 38 A CB -0.464 18.552 19.000 0.026 0.000 0.821 38 A HN 0.311 nan 8.150 nan 0.000 0.443 39 I N -0.283 120.262 120.570 -0.041 0.000 2.252 39 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 39 I C 2.698 178.798 176.117 -0.027 0.000 1.102 39 I CA 1.062 62.345 61.300 -0.027 0.000 1.385 39 I CB -0.561 37.420 38.000 -0.032 0.000 1.064 39 I HN 0.388 nan 8.210 nan 0.000 0.414 40 G N 0.071 108.842 108.800 -0.048 0.000 2.440 40 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 40 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 40 G C 1.759 176.643 174.900 -0.028 0.000 1.154 40 G CA 1.033 46.106 45.100 -0.044 0.000 0.767 40 G HN 0.367 nan 8.290 nan 0.000 0.552 41 S N 0.499 116.184 115.700 -0.024 0.000 2.368 41 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 41 S C 2.179 176.775 174.600 -0.008 0.000 1.030 41 S CA 1.558 59.752 58.200 -0.010 0.000 0.999 41 S CB -0.180 63.020 63.200 0.001 0.000 0.844 41 S HN 0.491 nan 8.310 nan 0.000 0.459 42 E N 1.570 121.765 120.200 -0.007 0.000 2.106 42 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 42 E C 2.152 178.749 176.600 -0.004 0.000 0.984 42 E CA 1.195 57.593 56.400 -0.004 0.000 0.806 42 E CB -0.556 29.144 29.700 0.000 0.000 0.750 42 E HN 0.295 nan 8.360 nan 0.000 0.458 43 S N -0.649 115.048 115.700 -0.006 0.000 2.356 43 S HA -0.100 4.369 4.470 -0.001 0.000 0.223 43 S C 1.891 176.486 174.600 -0.008 0.000 1.032 43 S CA 1.272 59.468 58.200 -0.006 0.000 1.005 43 S CB -0.338 62.857 63.200 -0.008 0.000 0.867 43 S HN 0.353 nan 8.310 nan 0.000 0.449 44 L N 1.004 122.221 121.223 -0.009 0.000 2.083 44 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 44 L C 2.832 179.698 176.870 -0.007 0.000 1.083 44 L CA 1.181 56.016 54.840 -0.009 0.000 0.752 44 L CB -0.599 41.455 42.059 -0.009 0.000 0.899 44 L HN 0.394 nan 8.230 nan 0.000 0.433 45 A N -0.075 122.742 122.820 -0.006 0.000 2.019 45 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 45 A C 2.176 179.757 177.584 -0.006 0.000 1.164 45 A CA 1.188 53.221 52.037 -0.006 0.000 0.644 45 A CB -0.380 18.617 19.000 -0.005 0.000 0.805 45 A HN 0.371 nan 8.150 nan 0.000 0.449 46 R N -1.337 119.159 120.500 -0.006 0.000 2.334 46 R HA 0.237 4.577 4.340 -0.001 0.000 0.220 46 R C 1.033 177.329 176.300 -0.008 0.000 0.917 46 R CA 0.470 56.566 56.100 -0.007 0.000 1.073 46 R CB -0.013 30.283 30.300 -0.006 0.000 1.056 46 R HN 0.632 nan 8.270 nan 0.000 0.506 47 G N 1.916 110.712 108.800 -0.008 0.000 2.136 47 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.242 47 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.242 47 G C -0.252 174.642 174.900 -0.009 0.000 0.989 47 G CA 0.183 45.279 45.100 -0.008 0.000 0.682 47 G HN 0.330 nan 8.290 nan 0.000 0.522 48 E N 0.502 120.696 120.200 -0.010 0.000 2.255 48 E HA 0.551 4.900 4.350 -0.001 0.000 0.245 48 E C -1.116 175.476 176.600 -0.012 0.000 0.909 48 E CA -2.253 54.140 56.400 -0.011 0.000 0.747 48 E CB 1.511 31.204 29.700 -0.011 0.000 1.215 48 E HN 0.122 nan 8.360 nan 0.000 0.424 49 P HA 0.057 nan 4.420 nan 0.000 0.236 49 P C -0.195 177.096 177.300 -0.016 0.000 1.177 49 P CA -0.010 63.082 63.100 -0.014 0.000 0.773 49 P CB 0.278 31.971 31.700 -0.012 0.000 0.878 50 C N 1.031 120.321 119.300 -0.017 0.000 2.295 50 C HA 0.553 5.012 4.460 -0.001 0.000 0.331 50 C C 0.169 175.147 174.990 -0.020 0.000 1.280 50 C CA -0.426 58.581 59.018 -0.019 0.000 1.746 50 C CB 0.871 28.598 27.740 -0.022 0.000 2.328 50 C HN -0.006 nan 8.230 nan 0.000 0.521 51 V N 3.287 123.189 119.914 -0.019 0.000 2.569 51 V HA 0.683 4.802 4.120 -0.001 0.000 0.301 51 V C 0.272 176.356 176.094 -0.016 0.000 1.044 51 V CA -0.412 61.879 62.300 -0.015 0.000 0.874 51 V CB 1.497 33.314 31.823 -0.011 0.000 1.002 51 V HN 1.028 nan 8.190 nan 0.000 0.424 52 A N 4.237 127.046 122.820 -0.019 0.000 2.316 52 A HA 0.840 5.159 4.320 -0.001 0.000 0.284 52 A C -0.498 177.081 177.584 -0.010 0.000 1.115 52 A CA -0.400 51.624 52.037 -0.023 0.000 0.812 52 A CB 1.081 20.057 19.000 -0.040 0.000 1.064 52 A HN 0.822 nan 8.150 nan 0.000 0.489 53 V N 1.510 121.416 119.914 -0.013 0.000 2.577 53 V HA 0.689 4.808 4.120 -0.001 0.000 0.303 53 V C 0.585 176.664 176.094 -0.024 0.000 1.042 53 V CA 0.076 62.373 62.300 -0.004 0.000 0.872 53 V CB 1.721 33.549 31.823 0.008 0.000 0.998 53 V HN 1.284 nan 8.190 nan 0.000 0.423 54 G N 3.892 112.669 108.800 -0.038 0.000 2.600 54 G HA2 0.881 4.840 3.960 -0.001 0.000 0.303 54 G HA3 0.881 4.840 3.960 -0.001 0.000 0.303 54 G C -1.012 173.848 174.900 -0.066 0.000 1.253 54 G CA -0.917 44.144 45.100 -0.065 0.000 0.974 54 G HN 0.858 nan 8.290 nan 0.000 0.483 55 R N -0.482 119.973 120.500 -0.075 0.000 2.774 55 R HA 0.611 4.950 4.340 -0.001 0.000 0.272 55 R C -1.124 175.128 176.300 -0.080 0.000 1.000 55 R CA -0.826 55.226 56.100 -0.081 0.000 0.906 55 R CB 1.703 31.961 30.300 -0.069 0.000 1.227 55 R HN 0.552 nan 8.270 nan 0.000 0.468 56 D N 0.706 121.061 120.400 -0.075 0.000 2.469 56 D HA 0.189 4.829 4.640 -0.001 0.000 0.278 56 D C 0.666 176.942 176.300 -0.041 0.000 1.231 56 D CA -0.471 53.499 54.000 -0.051 0.000 1.075 56 D CB 0.078 40.862 40.800 -0.027 0.000 1.121 56 D HN 0.686 nan 8.370 nan 0.000 0.571 57 G N -1.058 107.731 108.800 -0.017 0.000 3.496 57 G HA2 0.122 4.082 3.960 -0.001 0.000 0.273 57 G HA3 0.122 4.082 3.960 -0.001 0.000 0.273 57 G C 0.289 175.134 174.900 -0.090 0.000 1.279 57 G CA -0.473 44.603 45.100 -0.040 0.000 1.041 57 G HN 0.177 nan 8.290 nan 0.000 0.539 58 R N -0.541 119.912 120.500 -0.080 0.000 2.560 58 R HA 0.367 4.706 4.340 -0.001 0.000 0.270 58 R C 1.285 177.513 176.300 -0.119 0.000 1.074 58 R CA -0.614 55.414 56.100 -0.121 0.000 1.140 58 R CB 1.035 31.300 30.300 -0.059 0.000 1.073 58 R HN 0.105 nan 8.270 nan 0.000 0.527 59 L N 0.699 121.840 121.223 -0.138 0.000 2.083 59 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 59 L C 2.154 178.982 176.870 -0.069 0.000 1.083 59 L CA 1.579 56.357 54.840 -0.104 0.000 0.752 59 L CB -0.364 41.632 42.059 -0.104 0.000 0.899 59 L HN 0.735 nan 8.230 nan 0.000 0.433 60 S N -0.564 115.099 115.700 -0.062 0.000 2.562 60 S HA 0.009 4.478 4.470 -0.001 0.000 0.221 60 S C 1.967 176.537 174.600 -0.051 0.000 0.975 60 S CA 0.329 58.501 58.200 -0.047 0.000 0.918 60 S CB -0.341 62.834 63.200 -0.041 0.000 0.772 60 S HN 0.400 nan 8.310 nan 0.000 0.531 61 G N 3.323 112.086 108.800 -0.062 0.000 2.545 61 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 61 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 61 G C -0.630 174.243 174.900 -0.044 0.000 1.218 61 G CA 1.131 46.194 45.100 -0.063 0.000 0.787 61 G HN 0.514 nan 8.290 nan 0.000 0.571 62 P HA -0.107 nan 4.420 nan 0.000 0.216 62 P C 1.680 178.972 177.300 -0.014 0.000 1.154 62 P CA 1.636 64.721 63.100 -0.025 0.000 0.865 62 P CB -0.010 31.674 31.700 -0.026 0.000 0.789 63 E N -0.519 119.674 120.200 -0.012 0.000 2.047 63 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 63 E C 1.908 178.518 176.600 0.017 0.000 0.987 63 E CA 0.920 57.321 56.400 0.001 0.000 0.799 63 E CB -0.402 29.298 29.700 -0.000 0.000 0.752 63 E HN 0.154 nan 8.360 nan 0.000 0.449 64 L N 0.340 121.571 121.223 0.013 0.000 2.240 64 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 64 L C 2.530 179.435 176.870 0.057 0.000 1.106 64 L CA 0.221 55.087 54.840 0.043 0.000 0.793 64 L CB -0.190 41.877 42.059 0.014 0.000 0.927 64 L HN 0.112 nan 8.230 nan 0.000 0.446 65 V N 0.827 120.753 119.914 0.020 0.000 2.453 65 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 65 V C 3.012 179.128 176.094 0.035 0.000 1.048 65 V CA 2.203 64.518 62.300 0.025 0.000 1.049 65 V CB -0.137 31.682 31.823 -0.007 0.000 0.672 65 V HN 0.493 nan 8.190 nan 0.000 0.457 66 K N -1.205 119.212 120.400 0.027 0.000 2.103 66 K HA -0.238 4.081 4.320 -0.001 0.000 0.207 66 K C 1.882 178.512 176.600 0.050 0.000 1.048 66 K CA 1.835 58.139 56.287 0.028 0.000 0.930 66 K CB -0.682 31.828 32.500 0.017 0.000 0.716 66 K HN 0.595 nan 8.250 nan 0.000 0.444 67 Q N -0.440 119.404 119.800 0.073 0.000 2.123 67 Q HA -0.015 4.324 4.340 -0.001 0.000 0.199 67 Q C 2.251 178.309 176.000 0.096 0.000 0.966 67 Q CA 1.284 57.160 55.803 0.122 0.000 0.845 67 Q CB -0.498 28.321 28.738 0.135 0.000 0.907 67 Q HN 0.512 nan 8.270 nan 0.000 0.439 68 L N 0.702 121.982 121.223 0.094 0.000 1.989 68 L HA -0.139 4.200 4.340 -0.001 0.000 0.211 68 L C 2.112 178.979 176.870 -0.004 0.000 1.071 68 L CA 1.562 56.444 54.840 0.070 0.000 0.749 68 L CB -0.670 41.504 42.059 0.191 0.000 0.890 68 L HN 0.113 nan 8.230 nan 0.000 0.431 69 I N -0.764 119.817 120.570 0.017 0.000 2.208 69 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 69 I C 2.567 178.672 176.117 -0.020 0.000 1.097 69 I CA 1.532 62.830 61.300 -0.003 0.000 1.363 69 I CB -0.303 37.702 38.000 0.007 0.000 1.051 69 I HN 0.416 nan 8.210 nan 0.000 0.413 70 Q N 1.049 120.856 119.800 0.012 0.000 2.170 70 Q HA -0.128 4.211 4.340 -0.001 0.000 0.203 70 Q C 2.076 178.052 176.000 -0.041 0.000 0.976 70 Q CA 1.948 57.780 55.803 0.049 0.000 0.858 70 Q CB -0.544 28.285 28.738 0.152 0.000 0.907 70 Q HN 0.497 nan 8.270 nan 0.000 0.433 71 G N -0.019 108.601 108.800 -0.299 0.000 2.402 71 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 71 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 71 G C 1.293 175.970 174.900 -0.372 0.000 1.162 71 G CA 0.804 45.436 45.100 -0.779 0.000 0.777 71 G HN 0.368 nan 8.290 nan 0.000 0.539 72 L N 0.604 121.704 121.223 -0.206 0.000 2.027 72 L HA -0.075 4.265 4.340 -0.001 0.000 0.206 72 L C 3.087 179.908 176.870 -0.083 0.000 1.074 72 L CA 1.253 56.022 54.840 -0.118 0.000 0.745 72 L CB -0.664 41.353 42.059 -0.070 0.000 0.898 72 L HN 0.229 nan 8.230 nan 0.000 0.433 73 V N -1.897 117.981 119.914 -0.061 0.000 2.490 73 V HA -0.226 3.893 4.120 -0.001 0.000 0.250 73 V C 1.691 177.767 176.094 -0.029 0.000 1.061 73 V CA 2.043 64.324 62.300 -0.033 0.000 1.064 73 V CB -0.551 31.264 31.823 -0.014 0.000 0.670 73 V HN 0.359 nan 8.190 nan 0.000 0.461 74 D N -0.486 119.890 120.400 -0.040 0.000 2.371 74 D HA -0.011 4.628 4.640 -0.001 0.000 0.221 74 D C 1.781 178.064 176.300 -0.028 0.000 0.986 74 D CA 1.298 55.288 54.000 -0.017 0.000 0.899 74 D CB -0.316 40.498 40.800 0.023 0.000 0.902 74 D HN 0.634 nan 8.370 nan 0.000 0.530 75 C N -1.030 118.241 119.300 -0.048 0.000 2.634 75 C HA 0.387 4.847 4.460 -0.001 0.000 0.268 75 C C 1.862 176.842 174.990 -0.017 0.000 1.322 75 C CA 0.440 59.440 59.018 -0.031 0.000 1.737 75 C CB -0.368 27.345 27.740 -0.044 0.000 1.976 75 C HN 0.515 nan 8.230 nan 0.000 0.547 76 G N -0.610 108.180 108.800 -0.017 0.000 2.148 76 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.203 76 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.203 76 G C 0.029 174.920 174.900 -0.015 0.000 0.993 76 G CA -0.030 45.063 45.100 -0.012 0.000 0.661 76 G HN 0.461 nan 8.290 nan 0.000 0.518 77 C N 1.061 120.348 119.300 -0.022 0.000 2.605 77 C HA 0.534 4.993 4.460 -0.001 0.000 0.404 77 C C 0.927 175.906 174.990 -0.018 0.000 1.284 77 C CA -0.109 58.897 59.018 -0.021 0.000 2.199 77 C CB 0.805 28.528 27.740 -0.028 0.000 2.647 77 C HN 0.578 nan 8.230 nan 0.000 0.604 78 Q N 1.556 121.347 119.800 -0.016 0.000 2.421 78 Q HA 0.408 4.747 4.340 -0.001 0.000 0.242 78 Q C -0.657 175.333 176.000 -0.017 0.000 1.024 78 Q CA -0.182 55.612 55.803 -0.015 0.000 0.891 78 Q CB 0.848 29.577 28.738 -0.014 0.000 1.222 78 Q HN 0.560 nan 8.270 nan 0.000 0.483 79 V N 2.059 121.963 119.914 -0.016 0.000 2.546 79 V HA 0.208 4.328 4.120 -0.001 0.000 0.284 79 V C 0.105 176.190 176.094 -0.015 0.000 1.050 79 V CA -0.330 61.961 62.300 -0.016 0.000 0.981 79 V CB 1.747 33.561 31.823 -0.015 0.000 0.990 79 V HN 0.660 nan 8.190 nan 0.000 0.474 80 S N 2.914 118.604 115.700 -0.018 0.000 2.498 80 S HA 0.248 4.717 4.470 -0.001 0.000 0.324 80 S C -0.458 174.131 174.600 -0.018 0.000 1.071 80 S CA -0.516 57.673 58.200 -0.019 0.000 1.113 80 S CB 0.693 63.878 63.200 -0.025 0.000 0.976 80 S HN 0.861 nan 8.310 nan 0.000 0.462 81 D N 2.903 123.294 120.400 -0.015 0.000 2.411 81 D HA 0.162 4.801 4.640 -0.001 0.000 0.225 81 D C 1.002 177.291 176.300 -0.017 0.000 1.156 81 D CA -0.705 53.285 54.000 -0.015 0.000 0.874 81 D CB 0.838 41.631 40.800 -0.012 0.000 1.034 81 D HN 0.309 nan 8.370 nan 0.000 0.502 82 V N 2.138 122.037 119.914 -0.024 0.000 3.623 82 V HA 0.433 4.552 4.120 -0.001 0.000 0.271 82 V C 1.277 177.353 176.094 -0.031 0.000 1.248 82 V CA 0.579 62.863 62.300 -0.026 0.000 1.156 82 V CB -0.969 30.834 31.823 -0.032 0.000 0.870 82 V HN 0.720 nan 8.190 nan 0.000 0.453 83 G N 0.951 109.732 108.800 -0.031 0.000 2.539 83 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.256 83 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.256 83 G C -0.132 174.742 174.900 -0.045 0.000 1.233 83 G CA 0.289 45.370 45.100 -0.032 0.000 0.936 83 G HN 0.808 nan 8.290 nan 0.000 0.571 84 M N 1.362 120.935 119.600 -0.044 0.000 2.108 84 M HA 0.549 5.028 4.480 -0.001 0.000 0.347 84 M C 0.258 176.519 176.300 -0.065 0.000 1.326 84 M CA -0.481 54.787 55.300 -0.053 0.000 1.126 84 M CB 0.297 32.870 32.600 -0.044 0.000 1.606 84 M HN 1.452 nan 8.290 nan 0.000 0.462 85 V N 3.176 123.038 119.914 -0.088 0.000 3.188 85 V HA 0.777 4.896 4.120 -0.001 0.000 0.305 85 V C -2.983 173.024 176.094 -0.146 0.000 1.232 85 V CA -2.275 59.952 62.300 -0.122 0.000 1.043 85 V CB 1.504 33.238 31.823 -0.149 0.000 1.068 85 V HN 0.630 nan 8.190 nan 0.000 0.439 86 P HA 0.210 nan 4.420 nan 0.000 0.266 86 P C 1.046 178.195 177.300 -0.253 0.000 1.195 86 P CA 0.437 63.425 63.100 -0.188 0.000 0.768 86 P CB 0.514 32.090 31.700 -0.207 0.000 0.838 87 T N 4.675 119.077 114.554 -0.253 0.000 2.620 87 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 87 T C -0.725 173.564 174.700 -0.684 0.000 1.044 87 T CA 2.486 64.323 62.100 -0.438 0.000 1.161 87 T CB -1.815 66.846 68.868 -0.346 0.000 0.862 87 T HN 0.586 nan 8.240 nan 0.000 0.438 88 P HA 0.008 nan 4.420 nan 0.000 0.219 88 P C 1.531 178.653 177.300 -0.298 0.000 1.146 88 P CA 0.784 63.750 63.100 -0.223 0.000 0.808 88 P CB -0.253 31.638 31.700 0.319 0.000 0.779 89 V N 0.764 120.439 119.914 -0.397 0.000 2.548 89 V HA -0.157 3.963 4.120 -0.001 0.000 0.249 89 V C 2.629 178.588 176.094 -0.226 0.000 1.055 89 V CA 1.093 63.134 62.300 -0.431 0.000 1.065 89 V CB -1.114 30.363 31.823 -0.577 0.000 0.681 89 V HN 0.089 nan 8.190 nan 0.000 0.462 90 L N -0.314 120.726 121.223 -0.304 0.000 2.056 90 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 90 L C 2.417 179.165 176.870 -0.203 0.000 1.078 90 L CA 2.270 56.968 54.840 -0.237 0.000 0.749 90 L CB -0.862 41.042 42.059 -0.258 0.000 0.901 90 L HN 0.381 nan 8.230 nan 0.000 0.433 91 Y N -1.524 118.523 120.300 -0.421 0.000 2.181 91 Y HA -0.358 4.191 4.550 -0.001 0.000 0.288 91 Y C 2.684 178.145 175.900 -0.732 0.000 1.146 91 Y CA 1.229 58.925 58.100 -0.674 0.000 1.164 91 Y CB -0.525 37.199 38.460 -1.227 0.000 0.982 91 Y HN 0.220 nan 8.280 nan 0.000 0.515 92 Y N 0.884 120.792 120.300 -0.653 0.000 2.097 92 Y HA -0.352 4.197 4.550 -0.001 0.000 0.282 92 Y C 2.469 178.190 175.900 -0.298 0.000 1.152 92 Y CA 1.190 59.071 58.100 -0.364 0.000 1.136 92 Y CB -0.768 37.696 38.460 0.006 0.000 0.975 92 Y HN 0.060 nan 8.280 nan 0.000 0.498 93 A N 0.645 123.336 122.820 -0.215 0.000 1.917 93 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 93 A C 2.328 179.769 177.584 -0.239 0.000 1.182 93 A CA 2.104 54.003 52.037 -0.230 0.000 0.633 93 A CB -1.585 17.358 19.000 -0.095 0.000 0.819 93 A HN 0.659 nan 8.150 nan 0.000 0.448 94 A N -0.928 121.783 122.820 -0.183 0.000 2.239 94 A HA -0.034 4.285 4.320 -0.001 0.000 0.209 94 A C 1.692 179.178 177.584 -0.163 0.000 1.171 94 A CA 1.121 53.079 52.037 -0.131 0.000 0.768 94 A CB -0.434 18.530 19.000 -0.060 0.000 0.790 94 A HN 0.614 nan 8.150 nan 0.000 0.478 95 N N -0.769 117.758 118.700 -0.288 0.000 2.348 95 N HA 0.004 4.743 4.740 -0.001 0.000 0.183 95 N C 1.433 176.739 175.510 -0.339 0.000 1.094 95 N CA 1.416 54.288 53.050 -0.297 0.000 0.885 95 N CB 0.845 39.062 38.487 -0.449 0.000 1.065 95 N HN 0.496 nan 8.380 nan 0.000 0.472 96 V N -1.870 117.760 119.914 -0.474 0.000 3.635 96 V HA 0.347 4.466 4.120 -0.001 0.000 0.266 96 V C 1.088 177.051 176.094 -0.218 0.000 1.316 96 V CA 0.006 62.078 62.300 -0.380 0.000 1.060 96 V CB -0.020 31.438 31.823 -0.609 0.000 0.820 96 V HN -0.109 nan 8.190 nan 0.000 0.447 97 L N 0.395 121.501 121.223 -0.195 0.000 2.600 97 L HA 0.374 4.713 4.340 -0.001 0.000 0.221 97 L C 1.993 178.814 176.870 -0.082 0.000 1.197 97 L CA 0.264 55.036 54.840 -0.113 0.000 0.838 97 L CB 0.192 42.193 42.059 -0.097 0.000 1.474 97 L HN 0.141 nan 8.230 nan 0.000 0.514 98 E N 0.102 120.268 120.200 -0.055 0.000 2.051 98 E HA -0.082 4.267 4.350 -0.001 0.000 0.192 98 E C 0.725 177.300 176.600 -0.041 0.000 0.991 98 E CA 0.770 57.145 56.400 -0.041 0.000 0.799 98 E CB 0.003 29.686 29.700 -0.029 0.000 0.748 98 E HN 0.738 nan 8.360 nan 0.000 0.449 99 G N -0.003 108.771 108.800 -0.043 0.000 2.476 99 G HA2 0.066 4.025 3.960 -0.001 0.000 0.269 99 G HA3 0.066 4.025 3.960 -0.001 0.000 0.269 99 G C 0.186 175.058 174.900 -0.046 0.000 1.195 99 G CA -0.425 44.652 45.100 -0.037 0.000 0.843 99 G HN 0.037 nan 8.290 nan 0.000 0.545 100 K N 0.672 121.051 120.400 -0.034 0.000 2.397 100 K HA 0.181 4.501 4.320 -0.001 0.000 0.202 100 K C 0.495 177.082 176.600 -0.023 0.000 1.022 100 K CA -0.007 56.260 56.287 -0.033 0.000 1.141 100 K CB 0.690 33.176 32.500 -0.024 0.000 0.857 100 K HN 0.273 nan 8.250 nan 0.000 0.514 101 S N 0.178 115.867 115.700 -0.019 0.000 2.565 101 S HA 0.729 5.198 4.470 -0.001 0.000 0.290 101 S C 0.087 174.687 174.600 0.000 0.000 1.150 101 S CA -0.663 57.534 58.200 -0.005 0.000 1.058 101 S CB 2.016 65.214 63.200 -0.003 0.000 1.032 101 S HN 0.370 nan 8.310 nan 0.000 0.510 102 G N 0.582 109.397 108.800 0.025 0.000 2.759 102 G HA2 0.566 4.526 3.960 -0.001 0.000 0.297 102 G HA3 0.566 4.526 3.960 -0.001 0.000 0.297 102 G C -1.838 173.111 174.900 0.081 0.000 1.434 102 G CA -0.440 44.684 45.100 0.040 0.000 0.980 102 G HN 0.628 nan 8.290 nan 0.000 0.531 103 V N 1.862 121.822 119.914 0.077 0.000 2.531 103 V HA 0.661 4.780 4.120 -0.001 0.000 0.301 103 V C -0.345 175.801 176.094 0.087 0.000 1.034 103 V CA -0.755 61.618 62.300 0.122 0.000 0.865 103 V CB 1.731 33.642 31.823 0.147 0.000 0.995 103 V HN 0.846 nan 8.190 nan 0.000 0.424 104 M N 5.601 125.254 119.600 0.088 0.000 2.149 104 M HA 0.581 5.060 4.480 -0.001 0.000 0.342 104 M C -1.128 175.155 176.300 -0.029 0.000 1.068 104 M CA -0.654 54.641 55.300 -0.009 0.000 0.991 104 M CB 1.251 33.798 32.600 -0.087 0.000 1.596 104 M HN 0.624 nan 8.290 nan 0.000 0.439 105 L N 5.591 126.753 121.223 -0.102 0.000 2.295 105 L HA 0.639 4.978 4.340 -0.001 0.000 0.288 105 L C -0.727 176.017 176.870 -0.211 0.000 1.079 105 L CA 0.765 55.445 54.840 -0.266 0.000 0.830 105 L CB 0.325 42.235 42.059 -0.249 0.000 1.200 105 L HN 0.859 nan 8.230 nan 0.000 0.438 106 T N 2.856 117.282 114.554 -0.212 0.000 2.932 106 T HA 0.731 5.080 4.350 -0.001 0.000 0.318 106 T C -0.232 174.418 174.700 -0.084 0.000 1.265 106 T CA -0.042 61.988 62.100 -0.116 0.000 1.036 106 T CB 1.029 69.854 68.868 -0.073 0.000 1.209 106 T HN 0.736 nan 8.240 nan 0.000 0.484 110 N N 3.262 121.553 118.700 -0.681 0.000 2.354 110 N HA 0.250 4.989 4.740 -0.001 0.000 0.246 110 N C -2.514 172.630 175.510 -0.610 0.000 1.285 110 N CA -0.949 51.639 53.050 -0.771 0.000 0.925 110 N CB 0.586 38.523 38.487 -0.918 0.000 1.174 110 N HN 0.071 nan 8.380 nan 0.000 0.478 111 P HA -0.020 nan 4.420 nan 0.000 0.270 111 P C -1.863 175.454 177.300 0.030 0.000 1.221 111 P CA -0.697 62.203 63.100 -0.334 0.000 0.788 111 P CB 0.014 31.678 31.700 -0.060 0.000 0.904 112 P HA -0.221 nan 4.420 nan 0.000 0.216 112 P C 0.697 178.068 177.300 0.118 0.000 1.154 112 P CA 1.721 64.896 63.100 0.125 0.000 0.865 112 P CB -0.169 31.553 31.700 0.037 0.000 0.789 113 D N -3.010 117.499 120.400 0.182 0.000 2.363 113 D HA -0.052 4.587 4.640 -0.001 0.000 0.220 113 D C 0.322 176.694 176.300 0.120 0.000 0.994 113 D CA 0.555 54.626 54.000 0.120 0.000 0.890 113 D CB -0.221 40.629 40.800 0.085 0.000 0.906 113 D HN 0.219 nan 8.370 nan 0.000 0.530 114 Y N 1.093 121.381 120.300 -0.020 0.000 2.346 114 Y HA 0.195 4.744 4.550 -0.001 0.000 0.330 114 Y C 1.173 177.040 175.900 -0.056 0.000 1.178 114 Y CA 0.092 58.170 58.100 -0.037 0.000 1.331 114 Y CB 0.541 38.968 38.460 -0.056 0.000 1.253 114 Y HN -0.205 nan 8.280 nan 0.000 0.529 115 N N -0.558 118.157 118.700 0.024 0.000 3.418 115 N HA 0.735 5.474 4.740 -0.001 0.000 0.316 115 N C -0.744 174.699 175.510 -0.112 0.000 1.601 115 N CA 0.069 53.078 53.050 -0.068 0.000 0.805 115 N CB 2.153 40.554 38.487 -0.142 0.000 1.873 115 N HN 0.786 nan 8.380 nan 0.000 0.615 116 G N -0.671 107.944 108.800 -0.307 0.000 2.320 116 G HA2 0.443 4.402 3.960 -0.001 0.000 0.297 116 G HA3 0.443 4.402 3.960 -0.001 0.000 0.297 116 G C -2.303 172.262 174.900 -0.558 0.000 1.344 116 G CA -0.676 44.276 45.100 -0.247 0.000 0.851 116 G HN 0.241 nan 8.290 nan 0.000 0.567 117 F N 0.443 120.414 119.950 0.035 0.000 2.585 117 F HA 0.574 5.101 4.527 -0.001 0.000 0.319 117 F C 0.172 176.037 175.800 0.107 0.000 1.165 117 F CA -0.788 57.244 58.000 0.054 0.000 0.949 117 F CB 2.700 41.723 39.000 0.037 0.000 1.218 117 F HN 0.207 nan 8.300 nan 0.000 0.453 118 K N 4.594 125.159 120.400 0.275 0.000 2.206 118 K HA 0.789 5.108 4.320 -0.001 0.000 0.264 118 K C -1.077 175.701 176.600 0.297 0.000 0.967 118 K CA -0.559 55.919 56.287 0.319 0.000 0.844 118 K CB 2.255 34.965 32.500 0.349 0.000 1.099 118 K HN 0.537 nan 8.250 nan 0.000 0.441 119 I N 2.554 123.281 120.570 0.260 0.000 2.447 119 I HA 0.276 4.445 4.170 -0.001 0.000 0.287 119 I C -0.878 175.317 176.117 0.131 0.000 1.023 119 I CA -1.171 60.239 61.300 0.184 0.000 1.083 119 I CB 2.023 40.113 38.000 0.150 0.000 1.245 119 I HN 0.190 nan 8.210 nan 0.000 0.434 120 V N 6.889 126.865 119.914 0.103 0.000 2.448 120 V HA 0.489 4.608 4.120 -0.001 0.000 0.295 120 V C -0.282 175.832 176.094 0.033 0.000 1.025 120 V CA -0.683 61.645 62.300 0.047 0.000 0.859 120 V CB 2.150 33.985 31.823 0.021 0.000 0.988 120 V HN 0.419 nan 8.190 nan 0.000 0.431 121 V N 3.620 123.545 119.914 0.019 0.000 2.407 121 V HA 0.681 4.800 4.120 -0.001 0.000 0.291 121 V C 0.621 176.716 176.094 0.001 0.000 1.018 121 V CA -0.192 62.114 62.300 0.011 0.000 0.842 121 V CB 1.201 33.032 31.823 0.013 0.000 0.996 121 V HN 1.317 nan 8.190 nan 0.000 0.426 122 A N 3.960 126.777 122.820 -0.004 0.000 2.704 122 A HA 0.039 4.359 4.320 -0.001 0.000 0.299 122 A C 1.817 179.396 177.584 -0.009 0.000 1.507 122 A CA 1.492 53.524 52.037 -0.008 0.000 0.776 122 A CB -1.478 17.517 19.000 -0.008 0.000 1.027 122 A HN 2.674 nan 8.150 nan 0.000 0.475 123 G N -3.154 105.640 108.800 -0.010 0.000 2.268 123 G HA2 0.311 4.271 3.960 -0.001 0.000 0.240 123 G HA3 0.311 4.271 3.960 -0.001 0.000 0.240 123 G C 0.498 175.391 174.900 -0.012 0.000 1.010 123 G CA 1.376 46.471 45.100 -0.009 0.000 0.618 123 G HN 2.510 nan 8.290 nan 0.000 0.516 124 E N 1.257 121.450 120.200 -0.011 0.000 2.167 124 E HA 0.641 4.990 4.350 -0.001 0.000 0.284 124 E C 0.224 176.818 176.600 -0.011 0.000 1.016 124 E CA 0.298 56.690 56.400 -0.013 0.000 0.817 124 E CB 0.409 30.104 29.700 -0.009 0.000 1.080 124 E HN 0.625 nan 8.360 nan 0.000 0.397 125 T N 3.555 118.093 114.554 -0.025 0.000 2.799 125 T HA 0.282 4.632 4.350 -0.001 0.000 0.296 125 T C 0.612 175.313 174.700 0.002 0.000 0.947 125 T CA -0.154 61.933 62.100 -0.022 0.000 1.141 125 T CB -0.277 68.554 68.868 -0.062 0.000 0.891 125 T HN 0.437 nan 8.240 nan 0.000 0.533 126 L N 2.802 124.045 121.223 0.034 0.000 2.397 126 L HA 0.627 4.966 4.340 -0.001 0.000 0.271 126 L C 0.534 177.441 176.870 0.062 0.000 1.148 126 L CA -0.531 54.339 54.840 0.049 0.000 0.825 126 L CB 0.528 42.629 42.059 0.069 0.000 1.117 126 L HN 0.724 nan 8.230 nan 0.000 0.456 127 A N 2.225 125.083 122.820 0.064 0.000 2.606 127 A HA 0.633 4.952 4.320 -0.001 0.000 0.293 127 A C -0.204 177.426 177.584 0.076 0.000 1.082 127 A CA -0.572 51.519 52.037 0.090 0.000 0.685 127 A CB 1.546 20.600 19.000 0.089 0.000 1.284 127 A HN 0.779 nan 8.150 nan 0.000 0.408 128 N N 0.466 119.214 118.700 0.080 0.000 1.504 128 N HA -0.243 4.496 4.740 -0.001 0.000 0.155 128 N C 1.284 176.814 175.510 0.033 0.000 0.736 128 N CA 1.781 54.856 53.050 0.042 0.000 1.095 128 N CB -0.770 37.733 38.487 0.026 0.000 1.315 128 N HN 1.028 nan 8.380 nan 0.000 0.467 129 E N 2.208 122.416 120.200 0.013 0.000 2.265 129 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 129 E C 1.380 177.984 176.600 0.008 0.000 0.996 129 E CA 1.695 58.096 56.400 0.001 0.000 0.832 129 E CB -0.417 29.278 29.700 -0.009 0.000 0.756 129 E HN 0.705 nan 8.360 nan 0.000 0.491 130 Q N -0.031 119.783 119.800 0.023 0.000 2.172 130 Q HA -0.003 4.336 4.340 -0.001 0.000 0.200 130 Q C 2.281 178.309 176.000 0.047 0.000 0.964 130 Q CA 0.971 56.791 55.803 0.027 0.000 0.855 130 Q CB 0.064 28.821 28.738 0.032 0.000 0.918 130 Q HN 0.286 nan 8.270 nan 0.000 0.444 131 I N 0.811 121.428 120.570 0.079 0.000 2.286 131 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 131 I C 2.204 178.381 176.117 0.099 0.000 1.104 131 I CA 1.211 62.596 61.300 0.142 0.000 1.397 131 I CB -1.011 37.106 38.000 0.195 0.000 1.072 131 I HN 0.281 nan 8.210 nan 0.000 0.417 132 Q N 0.737 120.555 119.800 0.030 0.000 2.181 132 Q HA -0.130 4.209 4.340 -0.001 0.000 0.205 132 Q C 2.366 178.288 176.000 -0.130 0.000 0.980 132 Q CA 1.726 57.481 55.803 -0.080 0.000 0.862 132 Q CB -0.462 28.246 28.738 -0.049 0.000 0.905 132 Q HN 0.542 nan 8.270 nan 0.000 0.429 133 A N 0.569 123.350 122.820 -0.065 0.000 1.969 133 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 133 A C 2.227 179.763 177.584 -0.080 0.000 1.169 133 A CA 0.840 52.838 52.037 -0.065 0.000 0.635 133 A CB -0.544 18.438 19.000 -0.030 0.000 0.810 133 A HN 0.307 nan 8.150 nan 0.000 0.445 134 L N -1.182 120.003 121.223 -0.064 0.000 2.027 134 L HA -0.168 4.172 4.340 -0.001 0.000 0.206 134 L C 2.769 179.536 176.870 -0.172 0.000 1.074 134 L CA 1.738 56.549 54.840 -0.049 0.000 0.745 134 L CB -0.565 41.532 42.059 0.065 0.000 0.898 134 L HN 0.425 nan 8.230 nan 0.000 0.433 135 R N 0.583 120.799 120.500 -0.475 0.000 2.103 135 R HA -0.228 4.112 4.340 -0.001 0.000 0.242 135 R C 2.117 178.187 176.300 -0.384 0.000 1.142 135 R CA 1.995 57.599 56.100 -0.828 0.000 0.960 135 R CB -0.093 29.366 30.300 -1.402 0.000 0.858 135 R HN 0.430 nan 8.270 nan 0.000 0.439 136 E N -0.498 119.543 120.200 -0.265 0.000 2.107 136 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 136 E C 2.199 178.730 176.600 -0.114 0.000 0.982 136 E CA 0.906 57.208 56.400 -0.163 0.000 0.809 136 E CB 0.016 29.643 29.700 -0.123 0.000 0.756 136 E HN 0.284 nan 8.360 nan 0.000 0.459 137 R N 0.355 120.799 120.500 -0.092 0.000 2.091 137 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 137 R C 2.290 178.562 176.300 -0.047 0.000 1.136 137 R CA 1.292 57.361 56.100 -0.050 0.000 0.959 137 R CB -0.303 29.983 30.300 -0.024 0.000 0.856 137 R HN 0.223 nan 8.270 nan 0.000 0.437 138 I N 0.559 121.091 120.570 -0.062 0.000 2.252 138 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 138 I C 2.236 178.272 176.117 -0.134 0.000 1.102 138 I CA 1.104 62.363 61.300 -0.068 0.000 1.385 138 I CB -0.254 37.723 38.000 -0.037 0.000 1.064 138 I HN 0.125 nan 8.210 nan 0.000 0.414 139 E N 1.260 121.381 120.200 -0.132 0.000 2.110 139 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 139 E C 1.930 178.468 176.600 -0.103 0.000 0.988 139 E CA 1.260 57.585 56.400 -0.125 0.000 0.804 139 E CB -0.140 29.490 29.700 -0.116 0.000 0.745 139 E HN 0.509 nan 8.360 nan 0.000 0.458 140 K N 0.331 120.681 120.400 -0.084 0.000 2.426 140 K HA 0.058 4.378 4.320 -0.001 0.000 0.193 140 K C 0.198 176.768 176.600 -0.051 0.000 1.028 140 K CA -0.105 56.145 56.287 -0.061 0.000 1.047 140 K CB 0.224 32.694 32.500 -0.049 0.000 0.821 140 K HN 0.016 nan 8.250 nan 0.000 0.513 141 N N 2.398 121.062 118.700 -0.060 0.000 2.721 141 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 141 N C -0.759 174.754 175.510 0.004 0.000 1.072 141 N CA 0.984 54.016 53.050 -0.029 0.000 0.710 141 N CB -0.983 37.483 38.487 -0.035 0.000 0.993 141 N HN 0.308 nan 8.380 nan 0.000 0.547 142 D N 1.170 121.569 120.400 -0.003 0.000 2.619 142 D HA 0.347 4.986 4.640 -0.001 0.000 0.224 142 D C -0.360 175.953 176.300 0.021 0.000 1.133 142 D CA 0.090 54.093 54.000 0.004 0.000 1.017 142 D CB -0.210 40.583 40.800 -0.011 0.000 1.077 142 D HN 0.310 nan 8.370 nan 0.000 0.503 143 L N 1.352 122.601 121.223 0.044 0.000 2.408 143 L HA 0.653 4.992 4.340 -0.001 0.000 0.268 143 L C 0.288 177.190 176.870 0.053 0.000 0.986 143 L CA -1.359 53.519 54.840 0.064 0.000 0.820 143 L CB 1.970 44.110 42.059 0.134 0.000 1.303 143 L HN 0.107 nan 8.230 nan 0.000 0.411 144 A N 1.773 124.612 122.820 0.033 0.000 2.386 144 A HA 0.666 4.985 4.320 -0.001 0.000 0.248 144 A C -0.047 177.554 177.584 0.029 0.000 1.082 144 A CA -0.038 52.012 52.037 0.022 0.000 0.789 144 A CB 0.605 19.609 19.000 0.005 0.000 1.025 144 A HN 0.600 nan 8.150 nan 0.000 0.490 145 S N -0.607 115.109 115.700 0.026 0.000 2.594 145 S HA 0.795 5.264 4.470 -0.001 0.000 0.296 145 S C 0.019 174.629 174.600 0.017 0.000 1.124 145 S CA 0.118 58.335 58.200 0.030 0.000 1.011 145 S CB 1.733 64.958 63.200 0.042 0.000 1.016 145 S HN 1.668 nan 8.310 nan 0.000 0.485 146 G N 0.711 109.518 108.800 0.012 0.000 2.488 146 G HA2 0.498 4.457 3.960 -0.001 0.000 0.301 146 G HA3 0.498 4.457 3.960 -0.001 0.000 0.301 146 G C -1.951 172.952 174.900 0.005 0.000 1.339 146 G CA -0.451 44.653 45.100 0.006 0.000 0.803 146 G HN 0.595 nan 8.290 nan 0.000 0.482 147 V N 1.666 121.581 119.914 0.002 0.000 2.257 147 V HA 0.633 4.752 4.120 -0.001 0.000 0.269 147 V C 1.078 177.170 176.094 -0.003 0.000 1.040 147 V CA 0.315 62.616 62.300 0.001 0.000 0.813 147 V CB 0.329 32.153 31.823 0.002 0.000 1.065 147 V HN 1.095 nan 8.190 nan 0.000 0.457 148 G N 3.365 112.162 108.800 -0.006 0.000 2.531 148 G HA2 0.732 4.691 3.960 -0.001 0.000 0.253 148 G HA3 0.732 4.691 3.960 -0.001 0.000 0.253 148 G C -0.106 174.789 174.900 -0.007 0.000 1.439 148 G CA 0.189 45.284 45.100 -0.009 0.000 1.056 148 G HN 0.894 nan 8.290 nan 0.000 0.555 149 S N -2.745 112.950 115.700 -0.009 0.000 2.565 149 S HA 0.623 5.092 4.470 -0.001 0.000 0.269 149 S C -1.482 173.113 174.600 -0.009 0.000 1.153 149 S CA -0.713 57.482 58.200 -0.008 0.000 0.835 149 S CB 1.816 65.011 63.200 -0.007 0.000 1.122 149 S HN 0.921 nan 8.310 nan 0.000 0.462 150 V N 0.462 120.371 119.914 -0.008 0.000 2.531 150 V HA 0.913 5.032 4.120 -0.001 0.000 0.301 150 V C 0.067 176.156 176.094 -0.008 0.000 1.034 150 V CA -0.153 62.142 62.300 -0.008 0.000 0.865 150 V CB 0.889 32.708 31.823 -0.007 0.000 0.995 150 V HN 1.278 nan 8.190 nan 0.000 0.424 151 E N 2.726 122.921 120.200 -0.009 0.000 2.199 151 E HA 0.630 4.979 4.350 -0.001 0.000 0.269 151 E C -0.634 175.962 176.600 -0.008 0.000 0.899 151 E CA -0.866 55.529 56.400 -0.008 0.000 0.772 151 E CB 1.709 31.404 29.700 -0.008 0.000 1.155 151 E HN 0.766 nan 8.360 nan 0.000 0.408 152 Q N 0.236 120.031 119.800 -0.007 0.000 2.288 152 Q HA 0.550 4.889 4.340 -0.001 0.000 0.254 152 Q C -0.680 175.317 176.000 -0.005 0.000 0.932 152 Q CA -0.597 55.202 55.803 -0.007 0.000 0.902 152 Q CB 1.752 30.486 28.738 -0.006 0.000 1.203 152 Q HN 0.473 nan 8.270 nan 0.000 0.415 153 V N 2.226 122.138 119.914 -0.004 0.000 2.525 153 V HA 0.106 4.226 4.120 -0.001 0.000 0.299 153 V C -0.829 175.269 176.094 0.007 0.000 1.034 153 V CA -0.836 61.465 62.300 0.001 0.000 0.863 153 V CB 1.842 33.664 31.823 -0.002 0.000 0.999 153 V HN 0.689 nan 8.190 nan 0.000 0.423 154 D N 3.785 124.194 120.400 0.014 0.000 2.494 154 D HA 0.265 4.904 4.640 -0.001 0.000 0.217 154 D C 0.548 176.874 176.300 0.044 0.000 1.153 154 D CA 0.092 54.104 54.000 0.019 0.000 0.954 154 D CB 0.847 41.654 40.800 0.013 0.000 1.034 154 D HN 0.548 nan 8.370 nan 0.000 0.518 155 I N 3.058 123.662 120.570 0.057 0.000 3.645 155 I HA -0.013 4.157 4.170 -0.001 0.000 0.300 155 I C 1.605 177.818 176.117 0.159 0.000 1.260 155 I CA -0.001 61.370 61.300 0.118 0.000 1.365 155 I CB 0.280 38.355 38.000 0.125 0.000 1.077 155 I HN 0.321 nan 8.210 nan 0.000 0.439 156 L N 2.252 123.534 121.223 0.097 0.000 2.012 156 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 156 L C -0.691 176.298 176.870 0.200 0.000 1.073 156 L CA 2.429 57.340 54.840 0.119 0.000 0.748 156 L CB -1.545 40.548 42.059 0.056 0.000 0.891 156 L HN 0.128 nan 8.230 nan 0.000 0.431 157 P HA -0.169 nan 4.420 nan 0.000 0.218 157 P C 1.610 179.025 177.300 0.192 0.000 1.148 157 P CA 2.287 65.448 63.100 0.101 0.000 0.822 157 P CB -0.196 31.517 31.700 0.023 0.000 0.784 158 R N -0.777 119.852 120.500 0.215 0.000 2.073 158 R HA -0.167 4.172 4.340 -0.001 0.000 0.229 158 R C 2.271 178.728 176.300 0.262 0.000 1.120 158 R CA 1.825 58.079 56.100 0.258 0.000 0.967 158 R CB -2.433 28.049 30.300 0.303 0.000 0.862 158 R HN 0.290 nan 8.270 nan 0.000 0.436 159 Y N -0.262 120.059 120.300 0.035 0.000 2.145 159 Y HA -0.144 4.405 4.550 -0.001 0.000 0.286 159 Y C 2.112 178.008 175.900 -0.006 0.000 1.145 159 Y CA 2.028 59.944 58.100 -0.308 0.000 1.148 159 Y CB -0.474 37.784 38.460 -0.337 0.000 0.981 159 Y HN 0.297 nan 8.280 nan 0.000 0.507 160 F N 1.178 121.184 119.950 0.093 0.000 2.065 160 F HA -0.299 4.227 4.527 -0.001 0.000 0.298 160 F C 2.597 178.381 175.800 -0.026 0.000 1.112 160 F CA 2.558 60.577 58.000 0.032 0.000 1.212 160 F CB -0.397 38.653 39.000 0.083 0.000 0.975 160 F HN 0.023 nan 8.300 nan 0.000 0.476 161 K N -0.052 120.558 120.400 0.350 0.000 2.057 161 K HA -0.263 4.056 4.320 -0.001 0.000 0.206 161 K C 2.218 178.886 176.600 0.114 0.000 1.050 161 K CA 1.576 58.007 56.287 0.240 0.000 0.935 161 K CB -0.302 32.323 32.500 0.209 0.000 0.715 161 K HN 0.396 nan 8.250 nan 0.000 0.439 162 Q N 0.818 120.681 119.800 0.104 0.000 2.096 162 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 162 Q C 1.836 177.884 176.000 0.079 0.000 0.982 162 Q CA 2.016 57.899 55.803 0.133 0.000 0.850 162 Q CB -0.067 28.805 28.738 0.223 0.000 0.901 162 Q HN 0.411 nan 8.270 nan 0.000 0.422 163 I N -0.075 120.454 120.570 -0.069 0.000 2.163 163 I HA -0.253 3.917 4.170 -0.001 0.000 0.240 163 I C 2.727 178.759 176.117 -0.141 0.000 1.081 163 I CA 1.139 62.352 61.300 -0.145 0.000 1.353 163 I CB -0.522 37.267 38.000 -0.352 0.000 1.054 163 I HN 0.267 nan 8.210 nan 0.000 0.407 164 R N 1.210 121.602 120.500 -0.179 0.000 2.103 164 R HA -0.231 4.109 4.340 -0.001 0.000 0.242 164 R C 1.406 177.676 176.300 -0.049 0.000 1.142 164 R CA 2.147 58.165 56.100 -0.137 0.000 0.960 164 R CB -0.412 29.829 30.300 -0.098 0.000 0.858 164 R HN 0.343 nan 8.270 nan 0.000 0.439 165 D N -0.332 120.066 120.400 -0.002 0.000 2.347 165 D HA -0.075 4.564 4.640 -0.001 0.000 0.215 165 D C 0.798 177.104 176.300 0.009 0.000 0.976 165 D CA 0.891 54.903 54.000 0.019 0.000 0.884 165 D CB -0.054 40.776 40.800 0.050 0.000 0.915 165 D HN 0.292 nan 8.370 nan 0.000 0.526 166 D N -0.817 119.582 120.400 -0.002 0.000 2.433 166 D HA 0.048 4.687 4.640 -0.001 0.000 0.211 166 D C -0.121 176.145 176.300 -0.056 0.000 1.114 166 D CA -0.075 53.921 54.000 -0.007 0.000 0.837 166 D CB 0.632 41.453 40.800 0.035 0.000 0.984 166 D HN -0.096 nan 8.370 nan 0.000 0.505 167 I N 1.573 122.089 120.570 -0.090 0.000 2.359 167 I HA 0.496 4.665 4.170 -0.001 0.000 0.294 167 I C -0.057 176.007 176.117 -0.089 0.000 0.987 167 I CA -0.918 60.305 61.300 -0.129 0.000 1.225 167 I CB 1.113 38.999 38.000 -0.189 0.000 1.366 167 I HN -0.099 nan 8.210 nan 0.000 0.466 168 A N 7.953 130.724 122.820 -0.081 0.000 2.709 168 A HA 0.565 4.884 4.320 -0.001 0.000 0.332 168 A C -0.121 177.430 177.584 -0.055 0.000 1.241 168 A CA -0.591 51.413 52.037 -0.056 0.000 0.782 168 A CB 0.348 19.322 19.000 -0.043 0.000 1.109 168 A HN 0.705 nan 8.150 nan 0.000 0.472 169 M N 1.730 121.298 119.600 -0.054 0.000 2.219 169 M HA 0.225 4.704 4.480 -0.001 0.000 0.353 169 M C 1.324 177.603 176.300 -0.033 0.000 1.304 169 M CA 0.021 55.293 55.300 -0.046 0.000 1.115 169 M CB 1.476 34.049 32.600 -0.045 0.000 1.664 169 M HN 0.719 nan 8.290 nan 0.000 0.459 170 A N 4.015 126.817 122.820 -0.031 0.000 2.178 170 A HA 0.072 4.391 4.320 -0.001 0.000 0.211 170 A C 0.380 177.951 177.584 -0.022 0.000 1.157 170 A CA 0.837 52.859 52.037 -0.025 0.000 0.780 170 A CB 0.022 19.006 19.000 -0.026 0.000 0.828 170 A HN 0.848 nan 8.150 nan 0.000 0.476 171 K N -1.914 118.473 120.400 -0.022 0.000 2.642 171 K HA 0.479 4.798 4.320 -0.001 0.000 0.290 171 K C -3.519 173.072 176.600 -0.016 0.000 1.006 171 K CA -1.566 54.710 56.287 -0.018 0.000 0.869 171 K CB 0.681 33.170 32.500 -0.018 0.000 1.499 171 K HN -0.157 nan 8.250 nan 0.000 0.403 172 P HA 0.199 nan 4.420 nan 0.000 0.275 172 P C -1.003 176.291 177.300 -0.009 0.000 1.228 172 P CA -0.145 62.950 63.100 -0.010 0.000 0.786 172 P CB 0.605 32.301 31.700 -0.007 0.000 0.927 173 M N 1.363 120.958 119.600 -0.008 0.000 2.572 173 M HA 0.389 4.869 4.480 -0.001 0.000 0.299 173 M C -0.061 176.238 176.300 -0.002 0.000 1.205 173 M CA -0.815 54.482 55.300 -0.005 0.000 0.876 173 M CB 3.181 35.779 32.600 -0.005 0.000 1.728 173 M HN 0.183 nan 8.290 nan 0.000 0.458 174 K N 2.093 122.492 120.400 -0.001 0.000 2.293 174 K HA 0.656 4.975 4.320 -0.001 0.000 0.267 174 K C -1.874 174.726 176.600 -0.001 0.000 1.010 174 K CA -0.443 55.844 56.287 -0.000 0.000 0.875 174 K CB 1.093 33.592 32.500 -0.001 0.000 1.106 174 K HN 0.540 nan 8.250 nan 0.000 0.450 175 V N 4.798 124.713 119.914 0.001 0.000 2.588 175 V HA 0.316 4.435 4.120 -0.001 0.000 0.304 175 V C -0.499 175.594 176.094 -0.002 0.000 1.042 175 V CA -1.081 61.218 62.300 -0.000 0.000 0.877 175 V CB 1.777 33.604 31.823 0.007 0.000 0.996 175 V HN 0.531 nan 8.190 nan 0.000 0.425 176 V N 5.201 125.107 119.914 -0.014 0.000 2.498 176 V HA 0.416 4.535 4.120 -0.001 0.000 0.279 176 V C -0.051 176.033 176.094 -0.016 0.000 1.048 176 V CA -0.349 61.939 62.300 -0.020 0.000 0.967 176 V CB 1.548 33.350 31.823 -0.034 0.000 0.988 176 V HN 0.613 nan 8.190 nan 0.000 0.473 177 V N 3.917 123.835 119.914 0.007 0.000 2.407 177 V HA 0.382 4.501 4.120 -0.001 0.000 0.291 177 V C -0.465 175.666 176.094 0.061 0.000 1.018 177 V CA -0.537 61.794 62.300 0.051 0.000 0.842 177 V CB 1.754 33.661 31.823 0.140 0.000 0.996 177 V HN 0.897 nan 8.190 nan 0.000 0.426 178 D N 3.416 123.853 120.400 0.062 0.000 2.392 178 D HA 0.263 4.903 4.640 -0.001 0.000 0.228 178 D C 0.491 176.931 176.300 0.233 0.000 1.074 178 D CA -0.240 53.839 54.000 0.131 0.000 0.838 178 D CB 1.782 42.680 40.800 0.162 0.000 1.067 178 D HN 0.563 nan 8.370 nan 0.000 0.511 179 C N 2.165 121.624 119.300 0.265 0.000 2.696 179 C HA 0.304 4.764 4.460 -0.001 0.000 0.264 179 C C 1.736 176.866 174.990 0.233 0.000 1.288 179 C CA 0.258 59.453 59.018 0.294 0.000 1.717 179 C CB -0.865 27.010 27.740 0.225 0.000 1.893 179 C HN 0.902 nan 8.230 nan 0.000 0.577 180 G N 2.392 111.323 108.800 0.218 0.000 2.179 180 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 180 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 180 G C 0.252 175.194 174.900 0.071 0.000 1.010 180 G CA 0.562 45.675 45.100 0.021 0.000 0.736 180 G HN 0.572 nan 8.290 nan 0.000 0.513 181 N N -1.954 116.853 118.700 0.178 0.000 2.753 181 N HA -0.183 4.556 4.740 -0.001 0.000 0.251 181 N C 1.219 176.921 175.510 0.320 0.000 1.097 181 N CA 1.814 55.000 53.050 0.225 0.000 0.786 181 N CB -1.290 37.324 38.487 0.212 0.000 1.137 181 N HN 1.563 nan 8.380 nan 0.000 0.566 182 G N -0.284 108.689 108.800 0.287 0.000 2.510 182 G HA2 0.399 4.358 3.960 -0.001 0.000 0.280 182 G HA3 0.399 4.358 3.960 -0.001 0.000 0.280 182 G C 1.009 175.997 174.900 0.146 0.000 1.386 182 G CA 0.187 45.459 45.100 0.287 0.000 1.047 182 G HN 0.109 nan 8.290 nan 0.000 0.527 183 V N 0.315 120.283 119.914 0.091 0.000 3.217 183 V HA 0.118 4.238 4.120 -0.001 0.000 0.264 183 V C 2.795 178.879 176.094 -0.017 0.000 1.135 183 V CA 1.857 64.171 62.300 0.024 0.000 1.142 183 V CB -0.530 31.288 31.823 -0.008 0.000 0.754 183 V HN 0.788 nan 8.190 nan 0.000 0.484 184 A N 0.204 123.008 122.820 -0.027 0.000 2.076 184 A HA -0.055 4.265 4.320 -0.001 0.000 0.220 184 A C 2.239 179.776 177.584 -0.079 0.000 1.160 184 A CA 1.517 53.475 52.037 -0.132 0.000 0.653 184 A CB -1.002 17.844 19.000 -0.257 0.000 0.801 184 A HN 0.650 nan 8.150 nan 0.000 0.455 185 G N -0.187 108.618 108.800 0.009 0.000 2.535 185 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.218 185 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.218 185 G C 1.392 176.305 174.900 0.023 0.000 1.122 185 G CA 1.269 46.390 45.100 0.035 0.000 0.769 185 G HN 1.026 nan 8.290 nan 0.000 0.549 186 V N -2.349 117.567 119.914 0.004 0.000 3.217 186 V HA 0.328 4.448 4.120 -0.001 0.000 0.264 186 V C 1.822 177.939 176.094 0.039 0.000 1.135 186 V CA 1.637 63.943 62.300 0.010 0.000 1.142 186 V CB -0.011 31.807 31.823 -0.010 0.000 0.754 186 V HN 0.349 nan 8.190 nan 0.000 0.484 187 I N -1.841 118.752 120.570 0.038 0.000 5.139 187 I HA 0.414 4.583 4.170 -0.001 0.000 0.334 187 I C 2.201 178.362 176.117 0.074 0.000 1.217 187 I CA 0.865 62.234 61.300 0.115 0.000 1.448 187 I CB 0.090 38.173 38.000 0.139 0.000 1.538 187 I HN 0.081 nan 8.210 nan 0.000 0.527 188 A N 2.430 125.223 122.820 -0.045 0.000 1.858 188 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 188 A C -0.422 177.184 177.584 0.036 0.000 1.190 188 A CA 2.092 54.074 52.037 -0.093 0.000 0.617 188 A CB -2.045 16.729 19.000 -0.377 0.000 0.827 188 A HN 0.363 nan 8.150 nan 0.000 0.443 189 P HA -0.150 nan 4.420 nan 0.000 0.215 189 P C 1.234 178.589 177.300 0.090 0.000 1.153 189 P CA 1.550 64.703 63.100 0.088 0.000 0.853 189 P CB -0.137 31.611 31.700 0.080 0.000 0.788 190 Q N -0.860 119.016 119.800 0.126 0.000 2.046 190 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 190 Q C 2.133 178.281 176.000 0.247 0.000 0.975 190 Q CA 1.065 56.992 55.803 0.205 0.000 0.836 190 Q CB -1.242 27.654 28.738 0.263 0.000 0.896 190 Q HN 0.144 nan 8.270 nan 0.000 0.428 191 L N 0.241 121.535 121.223 0.117 0.000 2.056 191 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 191 L C 1.867 178.628 176.870 -0.181 0.000 1.078 191 L CA 1.594 56.249 54.840 -0.308 0.000 0.749 191 L CB -0.366 41.427 42.059 -0.442 0.000 0.901 191 L HN 0.242 nan 8.230 nan 0.000 0.433 192 I N -0.414 120.119 120.570 -0.063 0.000 2.286 192 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 192 I C 2.546 178.656 176.117 -0.011 0.000 1.115 192 I CA 1.570 62.851 61.300 -0.031 0.000 1.392 192 I CB -0.361 37.657 38.000 0.030 0.000 1.065 192 I HN 0.453 nan 8.210 nan 0.000 0.418 193 E N 1.359 121.574 120.200 0.025 0.000 2.058 193 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 193 E C 2.275 178.898 176.600 0.038 0.000 0.997 193 E CA 1.421 57.844 56.400 0.038 0.000 0.801 193 E CB -0.062 29.676 29.700 0.063 0.000 0.746 193 E HN 0.488 nan 8.360 nan 0.000 0.450 194 A N 0.985 123.841 122.820 0.060 0.000 2.019 194 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 194 A C 2.163 179.746 177.584 -0.001 0.000 1.164 194 A CA 0.974 53.057 52.037 0.076 0.000 0.644 194 A CB -0.550 18.560 19.000 0.184 0.000 0.805 194 A HN 0.325 nan 8.150 nan 0.000 0.449 195 L N -1.771 119.419 121.223 -0.055 0.000 2.201 195 L HA 0.059 4.398 4.340 -0.001 0.000 0.212 195 L C 1.597 178.445 176.870 -0.036 0.000 1.105 195 L CA 0.884 55.682 54.840 -0.069 0.000 0.775 195 L CB -0.293 41.707 42.059 -0.098 0.000 0.913 195 L HN 0.613 nan 8.230 nan 0.000 0.440 196 G N -1.351 107.439 108.800 -0.017 0.000 2.192 196 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.152 196 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.152 196 G C -0.312 174.584 174.900 -0.006 0.000 1.057 196 G CA -0.587 44.508 45.100 -0.008 0.000 0.748 196 G HN 0.179 nan 8.290 nan 0.000 0.488 197 C N 0.597 119.896 119.300 -0.002 0.000 2.454 197 C HA 0.846 5.306 4.460 -0.001 0.000 0.336 197 C C 0.898 175.894 174.990 0.009 0.000 1.189 197 C CA -0.426 58.593 59.018 0.001 0.000 1.877 197 C CB 1.635 29.376 27.740 0.001 0.000 2.348 197 C HN 0.564 nan 8.230 nan 0.000 0.508 198 S N 0.968 116.673 115.700 0.008 0.000 2.499 198 S HA 0.561 5.030 4.470 -0.001 0.000 0.279 198 S C -0.468 174.139 174.600 0.011 0.000 1.219 198 S CA -0.457 57.749 58.200 0.010 0.000 1.062 198 S CB 0.943 64.146 63.200 0.006 0.000 0.978 198 S HN 0.507 nan 8.310 nan 0.000 0.489 199 V N 4.247 124.171 119.914 0.016 0.000 2.540 199 V HA 0.448 4.567 4.120 -0.001 0.000 0.302 199 V C -0.482 175.618 176.094 0.010 0.000 1.035 199 V CA -0.616 61.695 62.300 0.019 0.000 0.873 199 V CB 1.589 33.432 31.823 0.034 0.000 0.992 199 V HN 0.787 nan 8.190 nan 0.000 0.428 200 I N 7.797 128.368 120.570 0.001 0.000 2.330 200 I HA 0.355 4.524 4.170 -0.001 0.000 0.286 200 I C -2.246 173.857 176.117 -0.023 0.000 1.025 200 I CA -1.774 59.518 61.300 -0.014 0.000 1.197 200 I CB 1.940 39.927 38.000 -0.023 0.000 1.358 200 I HN 0.434 nan 8.210 nan 0.000 0.467 201 P HA 0.310 nan 4.420 nan 0.000 0.279 201 P C -0.972 176.261 177.300 -0.113 0.000 1.239 201 P CA -0.300 62.781 63.100 -0.032 0.000 0.789 201 P CB 1.562 33.256 31.700 -0.009 0.000 0.933 202 L N 4.626 125.753 121.223 -0.159 0.000 2.404 202 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 202 L C -0.193 176.475 176.870 -0.337 0.000 0.980 202 L CA -0.803 53.766 54.840 -0.452 0.000 0.836 202 L CB 0.956 42.724 42.059 -0.486 0.000 1.238 202 L HN 0.476 nan 8.230 nan 0.000 0.408 203 Y N 1.318 121.630 120.300 0.021 0.000 3.234 203 Y HA -0.308 4.241 4.550 -0.001 0.000 0.207 203 Y C 1.236 177.157 175.900 0.035 0.000 1.316 203 Y CA -0.285 57.817 58.100 0.003 0.000 1.309 203 Y CB -2.094 36.322 38.460 -0.072 0.000 1.408 203 Y HN 0.607 nan 8.280 nan 0.000 0.544 204 C N -0.293 119.081 119.300 0.123 0.000 2.799 204 C HA 0.246 4.705 4.460 -0.001 0.000 0.267 204 C C 1.700 176.742 174.990 0.087 0.000 1.257 204 C CA 0.657 59.737 59.018 0.104 0.000 1.702 204 C CB -0.937 26.847 27.740 0.072 0.000 1.934 204 C HN 0.645 nan 8.230 nan 0.000 0.594 205 E N 0.914 121.166 120.200 0.087 0.000 2.324 205 E HA 0.405 4.755 4.350 -0.001 0.000 0.271 205 E C -0.254 176.386 176.600 0.067 0.000 1.028 205 E CA 0.021 56.459 56.400 0.064 0.000 0.890 205 E CB 0.332 30.066 29.700 0.056 0.000 1.004 205 E HN 0.325 nan 8.360 nan 0.000 0.431 206 V N 3.705 123.645 119.914 0.043 0.000 2.479 206 V HA 0.317 4.436 4.120 -0.001 0.000 0.281 206 V C -0.158 175.932 176.094 -0.007 0.000 1.031 206 V CA 0.178 62.496 62.300 0.031 0.000 1.038 206 V CB 0.868 32.697 31.823 0.011 0.000 0.981 206 V HN 0.884 nan 8.190 nan 0.000 0.478 207 D N 3.676 124.056 120.400 -0.034 0.000 2.470 207 D HA 0.299 4.938 4.640 -0.001 0.000 0.233 207 D C 0.859 176.959 176.300 -0.334 0.000 1.372 207 D CA -0.030 53.901 54.000 -0.115 0.000 0.994 207 D CB 1.644 42.413 40.800 -0.052 0.000 1.377 207 D HN 0.474 nan 8.370 nan 0.000 0.586 208 G N 2.675 111.225 108.800 -0.417 0.000 2.559 208 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 208 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 208 G C 1.120 175.522 174.900 -0.830 0.000 1.126 208 G CA 0.073 44.724 45.100 -0.748 0.000 0.778 208 G HN 0.479 nan 8.290 nan 0.000 0.543 209 N N 0.625 119.049 118.700 -0.459 0.000 2.459 209 N HA -0.047 4.692 4.740 -0.001 0.000 0.181 209 N C -0.013 175.428 175.510 -0.116 0.000 1.046 209 N CA 0.208 53.110 53.050 -0.247 0.000 0.904 209 N CB -0.120 38.302 38.487 -0.108 0.000 0.964 209 N HN 0.219 nan 8.380 nan 0.000 0.444 210 F N 0.079 120.023 119.950 -0.010 0.000 2.738 210 F HA -0.141 4.386 4.527 -0.001 0.000 0.232 210 F C -1.389 174.415 175.800 0.006 0.000 1.025 210 F CA -0.451 57.549 58.000 0.000 0.000 0.895 210 F CB -1.729 37.291 39.000 0.034 0.000 0.839 210 F HN 0.185 nan 8.300 nan 0.000 0.850 211 P HA -0.007 nan 4.420 nan 0.000 0.245 211 P C 0.556 177.822 177.300 -0.057 0.000 1.212 211 P CA 1.164 64.276 63.100 0.020 0.000 0.774 211 P CB 0.350 32.048 31.700 -0.003 0.000 0.999 212 N N -0.595 118.005 118.700 -0.165 0.000 2.652 212 N HA 0.060 4.799 4.740 -0.001 0.000 0.226 212 N C 0.093 175.425 175.510 -0.296 0.000 1.023 212 N CA 0.187 53.003 53.050 -0.390 0.000 1.126 212 N CB -0.083 37.814 38.487 -0.984 0.000 1.476 212 N HN 0.262 nan 8.380 nan 0.000 0.537 213 H N -1.365 117.539 119.070 -0.278 0.000 2.961 213 H HA 0.477 5.032 4.556 -0.001 0.000 0.371 213 H C -1.228 174.081 175.328 -0.031 0.000 1.190 213 H CA -0.984 54.975 56.048 -0.149 0.000 1.138 213 H CB 0.196 29.879 29.762 -0.131 0.000 1.816 213 H HN 0.028 nan 8.280 nan 0.000 0.551 214 H N 2.081 121.189 119.070 0.063 0.000 2.897 214 H HA 0.123 4.678 4.556 -0.001 0.000 0.347 214 H C -2.025 173.295 175.328 -0.013 0.000 1.068 214 H CA -1.830 54.150 56.048 -0.114 0.000 1.426 214 H CB 0.661 30.353 29.762 -0.117 0.000 1.410 214 H HN 0.562 nan 8.280 nan 0.000 0.597 215 P HA 0.066 nan 4.420 nan 0.000 0.244 215 P C -0.570 176.723 177.300 -0.012 0.000 1.769 215 P CA 0.020 63.090 63.100 -0.050 0.000 1.102 215 P CB -0.034 31.540 31.700 -0.209 0.000 1.937 216 D N 3.954 124.373 120.400 0.033 0.000 2.381 216 D HA 0.152 4.792 4.640 -0.001 0.000 0.245 216 D C -1.894 174.364 176.300 -0.071 0.000 1.297 216 D CA -2.030 51.956 54.000 -0.023 0.000 0.931 216 D CB 1.249 42.064 40.800 0.026 0.000 1.334 216 D HN 0.072 nan 8.370 nan 0.000 0.535 217 P HA 0.112 nan 4.420 nan 0.000 0.242 217 P C 1.250 178.483 177.300 -0.111 0.000 1.197 217 P CA 0.164 63.196 63.100 -0.113 0.000 0.765 217 P CB 0.330 31.959 31.700 -0.119 0.000 0.936 218 G N -0.135 108.606 108.800 -0.098 0.000 2.572 218 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.216 218 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.216 218 G C 0.830 175.733 174.900 0.005 0.000 1.133 218 G CA 0.212 45.287 45.100 -0.041 0.000 0.791 218 G HN 0.504 nan 8.290 nan 0.000 0.538 219 K N 1.147 121.524 120.400 -0.038 0.000 2.240 219 K HA 0.600 4.919 4.320 -0.001 0.000 0.271 219 K C -1.435 175.137 176.600 -0.047 0.000 1.018 219 K CA -1.721 54.552 56.287 -0.024 0.000 0.874 219 K CB 1.028 33.506 32.500 -0.036 0.000 1.098 219 K HN -0.059 nan 8.250 nan 0.000 0.458 220 P HA -0.309 nan 4.420 nan 0.000 0.217 220 P C 1.137 178.390 177.300 -0.078 0.000 1.151 220 P CA 1.627 64.702 63.100 -0.041 0.000 0.849 220 P CB 0.372 32.079 31.700 0.012 0.000 0.787 221 E N -0.593 119.565 120.200 -0.071 0.000 2.153 221 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 221 E C 1.113 177.621 176.600 -0.154 0.000 0.988 221 E CA 1.111 57.461 56.400 -0.084 0.000 0.811 221 E CB -1.204 28.459 29.700 -0.061 0.000 0.746 221 E HN 0.294 nan 8.360 nan 0.000 0.466 222 N N 0.635 119.202 118.700 -0.222 0.000 2.521 222 N HA 0.051 4.790 4.740 -0.001 0.000 0.188 222 N C 1.419 176.625 175.510 -0.507 0.000 1.146 222 N CA 0.447 53.206 53.050 -0.484 0.000 0.893 222 N CB 0.216 38.468 38.487 -0.392 0.000 0.975 222 N HN 0.314 nan 8.380 nan 0.000 0.451 223 L N -0.172 120.897 121.223 -0.257 0.000 2.693 223 L HA 0.171 4.511 4.340 -0.001 0.000 0.235 223 L C 2.352 179.159 176.870 -0.105 0.000 1.127 223 L CA 0.026 54.761 54.840 -0.174 0.000 0.914 223 L CB -0.193 41.768 42.059 -0.164 0.000 1.193 223 L HN -0.002 nan 8.230 nan 0.000 0.502 224 K N 0.402 120.747 120.400 -0.091 0.000 2.032 224 K HA -0.216 4.104 4.320 -0.001 0.000 0.209 224 K C 1.588 178.191 176.600 0.005 0.000 1.048 224 K CA 2.206 58.471 56.287 -0.037 0.000 0.927 224 K CB -0.739 31.746 32.500 -0.024 0.000 0.712 224 K HN 0.227 nan 8.250 nan 0.000 0.441 225 D N 0.049 120.484 120.400 0.059 0.000 2.144 225 D HA -0.085 4.555 4.640 -0.001 0.000 0.200 225 D C 1.904 178.237 176.300 0.055 0.000 0.978 225 D CA 1.194 55.261 54.000 0.113 0.000 0.833 225 D CB -0.246 40.734 40.800 0.299 0.000 0.961 225 D HN 0.276 nan 8.370 nan 0.000 0.470 226 L N 0.788 122.034 121.223 0.040 0.000 2.017 226 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 226 L C 2.111 178.964 176.870 -0.030 0.000 1.073 226 L CA 1.369 56.206 54.840 -0.006 0.000 0.745 226 L CB -0.554 41.489 42.059 -0.026 0.000 0.894 226 L HN -0.028 nan 8.230 nan 0.000 0.432 227 I N -0.279 120.268 120.570 -0.038 0.000 2.163 227 I HA -0.334 3.835 4.170 -0.001 0.000 0.243 227 I C 2.590 178.692 176.117 -0.026 0.000 1.085 227 I CA 1.369 62.643 61.300 -0.042 0.000 1.347 227 I CB -0.658 37.312 38.000 -0.050 0.000 1.044 227 I HN 0.388 nan 8.210 nan 0.000 0.408 228 A N 0.381 123.193 122.820 -0.013 0.000 1.902 228 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 228 A C 2.267 179.845 177.584 -0.010 0.000 1.181 228 A CA 1.976 54.009 52.037 -0.006 0.000 0.623 228 A CB -0.422 18.582 19.000 0.006 0.000 0.818 228 A HN 0.249 nan 8.150 nan 0.000 0.443 229 K N -0.227 120.164 120.400 -0.014 0.000 2.062 229 K HA -0.002 4.317 4.320 -0.001 0.000 0.205 229 K C 1.712 178.299 176.600 -0.022 0.000 1.051 229 K CA 1.498 57.772 56.287 -0.022 0.000 0.941 229 K CB -0.681 31.796 32.500 -0.038 0.000 0.719 229 K HN 0.157 nan 8.250 nan 0.000 0.440 230 V N 1.465 121.364 119.914 -0.025 0.000 2.252 230 V HA -0.320 3.799 4.120 -0.001 0.000 0.249 230 V C 2.179 178.264 176.094 -0.015 0.000 1.056 230 V CA 2.158 64.445 62.300 -0.023 0.000 1.022 230 V CB -0.381 31.424 31.823 -0.029 0.000 0.641 230 V HN 0.369 nan 8.190 nan 0.000 0.445 231 K N -0.159 120.232 120.400 -0.015 0.000 2.057 231 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 231 K C 2.293 178.888 176.600 -0.007 0.000 1.050 231 K CA 1.436 57.717 56.287 -0.010 0.000 0.935 231 K CB -0.424 32.070 32.500 -0.010 0.000 0.715 231 K HN 0.479 nan 8.250 nan 0.000 0.439 232 A N 1.539 124.354 122.820 -0.008 0.000 1.933 232 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 232 A C 1.594 179.174 177.584 -0.007 0.000 1.175 232 A CA 1.428 53.461 52.037 -0.006 0.000 0.628 232 A CB -0.092 18.904 19.000 -0.007 0.000 0.814 232 A HN 0.155 nan 8.150 nan 0.000 0.444 233 E N 0.106 120.301 120.200 -0.009 0.000 2.463 233 E HA 0.035 4.384 4.350 -0.001 0.000 0.193 233 E C -0.394 176.203 176.600 -0.006 0.000 1.041 233 E CA -0.210 56.185 56.400 -0.009 0.000 0.879 233 E CB -0.214 29.479 29.700 -0.012 0.000 0.997 233 E HN 0.536 nan 8.360 nan 0.000 0.478 234 N N 0.979 119.676 118.700 -0.005 0.000 2.714 234 N HA -0.197 4.542 4.740 -0.001 0.000 0.252 234 N C -0.204 175.305 175.510 -0.002 0.000 1.014 234 N CA 0.933 53.982 53.050 -0.002 0.000 0.735 234 N CB -1.201 37.285 38.487 -0.001 0.000 0.924 234 N HN 0.200 nan 8.380 nan 0.000 0.540 235 A N -0.126 122.691 122.820 -0.005 0.000 2.351 235 A HA 0.262 4.581 4.320 -0.001 0.000 0.257 235 A C 1.194 178.778 177.584 -0.000 0.000 1.087 235 A CA -0.214 51.821 52.037 -0.005 0.000 0.798 235 A CB 0.527 19.520 19.000 -0.010 0.000 1.033 235 A HN 0.177 nan 8.150 nan 0.000 0.488 236 D N -0.653 119.749 120.400 0.002 0.000 2.234 236 D HA 0.133 4.772 4.640 -0.001 0.000 0.205 236 D C -0.032 176.277 176.300 0.014 0.000 0.962 236 D CA 1.259 55.265 54.000 0.010 0.000 0.855 236 D CB 0.046 40.850 40.800 0.008 0.000 0.951 236 D HN 0.291 nan 8.370 nan 0.000 0.500 237 L N -1.026 120.199 121.223 0.003 0.000 2.582 237 L HA 0.545 4.885 4.340 -0.001 0.000 0.257 237 L C -1.086 175.768 176.870 -0.027 0.000 0.974 237 L CA -0.614 54.224 54.840 -0.004 0.000 0.851 237 L CB 2.303 44.368 42.059 0.009 0.000 1.424 237 L HN -0.093 nan 8.230 nan 0.000 0.412 238 G N 2.883 111.651 108.800 -0.053 0.000 2.452 238 G HA2 0.705 4.664 3.960 -0.001 0.000 0.324 238 G HA3 0.705 4.664 3.960 -0.001 0.000 0.324 238 G C -1.835 172.992 174.900 -0.121 0.000 1.214 238 G CA -0.490 44.564 45.100 -0.076 0.000 0.947 238 G HN 0.555 nan 8.290 nan 0.000 0.478 239 L N 1.060 122.193 121.223 -0.150 0.000 2.408 239 L HA 0.773 5.112 4.340 -0.001 0.000 0.268 239 L C 0.063 176.714 176.870 -0.366 0.000 0.986 239 L CA -0.957 53.711 54.840 -0.287 0.000 0.820 239 L CB 2.421 44.298 42.059 -0.303 0.000 1.303 239 L HN 0.667 nan 8.230 nan 0.000 0.411 240 A N 2.605 125.138 122.820 -0.478 0.000 2.371 240 A HA 0.881 5.201 4.320 -0.001 0.000 0.311 240 A C -1.381 175.865 177.584 -0.564 0.000 1.068 240 A CA -0.330 51.485 52.037 -0.370 0.000 0.744 240 A CB 0.953 19.855 19.000 -0.162 0.000 1.239 240 A HN 0.450 nan 8.150 nan 0.000 0.435 241 F N 1.473 121.448 119.950 0.041 0.000 2.507 241 F HA 0.426 4.952 4.527 -0.001 0.000 0.327 241 F C 0.782 176.595 175.800 0.022 0.000 1.068 241 F CA -0.650 57.366 58.000 0.027 0.000 0.965 241 F CB 1.465 40.489 39.000 0.040 0.000 1.192 241 F HN 0.731 nan 8.300 nan 0.000 0.476 242 D N 0.620 121.131 120.400 0.185 0.000 2.414 242 D HA 0.139 4.778 4.640 -0.001 0.000 0.251 242 D C 1.389 177.743 176.300 0.089 0.000 1.252 242 D CA -0.172 53.880 54.000 0.087 0.000 0.999 242 D CB 0.505 41.322 40.800 0.029 0.000 1.093 242 D HN 0.610 nan 8.370 nan 0.000 0.515 243 G N -0.258 108.553 108.800 0.017 0.000 2.442 243 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.219 243 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.219 243 G C 0.909 175.844 174.900 0.058 0.000 1.141 243 G CA 1.365 46.469 45.100 0.007 0.000 0.763 243 G HN 0.744 nan 8.290 nan 0.000 0.554 244 D N -1.337 119.088 120.400 0.041 0.000 2.398 244 D HA 0.213 4.852 4.640 -0.001 0.000 0.210 244 D C 1.603 177.896 176.300 -0.011 0.000 1.094 244 D CA 0.632 54.636 54.000 0.006 0.000 0.839 244 D CB -0.355 40.437 40.800 -0.014 0.000 0.963 244 D HN 0.536 nan 8.370 nan 0.000 0.506 245 G N 2.271 111.093 108.800 0.036 0.000 2.159 245 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.256 245 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.256 245 G C 0.504 175.463 174.900 0.098 0.000 0.977 245 G CA 0.546 45.666 45.100 0.032 0.000 0.652 245 G HN 0.517 nan 8.290 nan 0.000 0.531 246 D N -0.547 119.920 120.400 0.112 0.000 2.339 246 D HA 0.141 4.780 4.640 -0.001 0.000 0.217 246 D C 1.054 177.432 176.300 0.130 0.000 1.050 246 D CA 0.173 54.284 54.000 0.185 0.000 0.856 246 D CB 0.195 41.145 40.800 0.249 0.000 0.922 246 D HN 0.534 nan 8.370 nan 0.000 0.518 247 R N -0.164 120.359 120.500 0.040 0.000 2.740 247 R HA 0.667 5.006 4.340 -0.001 0.000 0.282 247 R C -1.435 174.917 176.300 0.088 0.000 0.969 247 R CA -1.006 55.053 56.100 -0.068 0.000 0.918 247 R CB 3.134 33.288 30.300 -0.244 0.000 1.175 247 R HN -0.019 nan 8.270 nan 0.000 0.464 248 V N 0.957 120.892 119.914 0.035 0.000 2.823 248 V HA 0.834 4.953 4.120 -0.001 0.000 0.312 248 V C -0.604 175.413 176.094 -0.127 0.000 1.072 248 V CA -0.384 61.887 62.300 -0.048 0.000 0.937 248 V CB 2.107 33.948 31.823 0.030 0.000 1.013 248 V HN 0.903 nan 8.190 nan 0.000 0.430 249 G N 3.638 112.302 108.800 -0.226 0.000 2.498 249 G HA2 0.700 4.660 3.960 -0.001 0.000 0.312 249 G HA3 0.700 4.660 3.960 -0.001 0.000 0.312 249 G C -1.721 173.022 174.900 -0.263 0.000 1.230 249 G CA -0.638 44.325 45.100 -0.227 0.000 0.968 249 G HN 0.921 nan 8.290 nan 0.000 0.481 250 V N 0.430 120.178 119.914 -0.276 0.000 2.760 250 V HA 0.695 4.814 4.120 -0.001 0.000 0.309 250 V C -0.262 175.664 176.094 -0.281 0.000 1.077 250 V CA -0.766 61.377 62.300 -0.262 0.000 0.910 250 V CB 1.572 33.227 31.823 -0.279 0.000 1.008 250 V HN 1.109 nan 8.190 nan 0.000 0.424 251 V N 1.370 121.160 119.914 -0.207 0.000 2.789 251 V HA 0.884 5.003 4.120 -0.001 0.000 0.311 251 V C 0.146 176.176 176.094 -0.107 0.000 1.073 251 V CA -0.125 62.067 62.300 -0.179 0.000 0.921 251 V CB 1.975 33.707 31.823 -0.152 0.000 1.009 251 V HN 1.021 nan 8.190 nan 0.000 0.426 252 T N 1.250 115.754 114.554 -0.082 0.000 2.754 252 T HA 0.191 4.541 4.350 -0.001 0.000 0.286 252 T C 1.336 176.033 174.700 -0.005 0.000 0.997 252 T CA 0.279 62.376 62.100 -0.005 0.000 0.982 252 T CB 0.425 69.310 68.868 0.028 0.000 1.027 252 T HN 1.067 nan 8.240 nan 0.000 0.529 253 N N 0.370 119.083 118.700 0.022 0.000 2.348 253 N HA -0.162 4.578 4.740 -0.001 0.000 0.185 253 N C 1.446 176.960 175.510 0.007 0.000 1.019 253 N CA 1.788 54.847 53.050 0.015 0.000 0.880 253 N CB -1.030 37.475 38.487 0.030 0.000 0.965 253 N HN 0.850 nan 8.380 nan 0.000 0.437 254 T N -5.340 109.217 114.554 0.005 0.000 3.086 254 T HA 0.446 4.795 4.350 -0.001 0.000 0.250 254 T C 1.305 175.992 174.700 -0.021 0.000 1.074 254 T CA 0.362 62.460 62.100 -0.004 0.000 0.988 254 T CB 0.114 68.980 68.868 -0.003 0.000 0.988 254 T HN 0.401 nan 8.240 nan 0.000 0.530 255 G N 1.007 109.787 108.800 -0.033 0.000 2.159 255 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.227 255 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.227 255 G C 0.094 174.951 174.900 -0.072 0.000 0.986 255 G CA -0.127 44.943 45.100 -0.051 0.000 0.651 255 G HN 0.662 nan 8.290 nan 0.000 0.523 256 T N 1.648 116.158 114.554 -0.074 0.000 2.870 256 T HA 0.469 4.818 4.350 -0.001 0.000 0.300 256 T C 1.025 175.623 174.700 -0.169 0.000 0.989 256 T CA 0.127 62.169 62.100 -0.096 0.000 1.139 256 T CB 1.101 69.926 68.868 -0.071 0.000 0.920 256 T HN 0.320 nan 8.240 nan 0.000 0.537 257 I N 4.338 124.777 120.570 -0.217 0.000 2.452 257 I HA 0.124 4.293 4.170 -0.001 0.000 0.287 257 I C 0.181 176.032 176.117 -0.442 0.000 1.079 257 I CA -0.393 60.674 61.300 -0.388 0.000 1.387 257 I CB 0.389 38.068 38.000 -0.535 0.000 1.404 257 I HN 0.362 nan 8.210 nan 0.000 0.522 258 I N 7.945 128.219 120.570 -0.494 0.000 2.291 258 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 258 I C 0.055 175.895 176.117 -0.463 0.000 1.050 258 I CA -0.483 60.501 61.300 -0.528 0.000 1.245 258 I CB -0.395 37.073 38.000 -0.887 0.000 1.405 258 I HN 0.389 nan 8.210 nan 0.000 0.478 259 Y N 7.932 128.107 120.300 -0.208 0.000 2.397 259 Y HA 0.099 4.648 4.550 -0.001 0.000 0.335 259 Y C -1.010 174.806 175.900 -0.140 0.000 1.213 259 Y CA -0.904 57.111 58.100 -0.142 0.000 1.391 259 Y CB 0.213 38.620 38.460 -0.089 0.000 1.293 259 Y HN 0.446 nan 8.280 nan 0.000 0.557 260 P HA -0.204 nan 4.420 nan 0.000 0.218 260 P C 0.791 178.111 177.300 0.034 0.000 1.146 260 P CA 1.881 64.999 63.100 0.030 0.000 0.813 260 P CB 0.145 31.889 31.700 0.073 0.000 0.778 261 D N -0.728 119.701 120.400 0.049 0.000 2.219 261 D HA -0.157 4.482 4.640 -0.001 0.000 0.205 261 D C 1.754 178.020 176.300 -0.057 0.000 0.970 261 D CA 1.185 55.186 54.000 0.002 0.000 0.851 261 D CB -0.825 39.973 40.800 -0.003 0.000 0.943 261 D HN 0.182 nan 8.370 nan 0.000 0.488 262 R N -0.149 120.319 120.500 -0.052 0.000 2.093 262 R HA 0.180 4.519 4.340 -0.001 0.000 0.224 262 R C 2.528 178.764 176.300 -0.107 0.000 1.101 262 R CA 0.049 56.096 56.100 -0.087 0.000 0.979 262 R CB -0.301 29.972 30.300 -0.046 0.000 0.877 262 R HN 0.180 nan 8.270 nan 0.000 0.441 263 L N 1.120 122.249 121.223 -0.158 0.000 2.013 263 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 263 L C 2.221 178.928 176.870 -0.271 0.000 1.073 263 L CA 1.471 56.183 54.840 -0.213 0.000 0.753 263 L CB -0.242 41.678 42.059 -0.232 0.000 0.890 263 L HN 0.324 nan 8.230 nan 0.000 0.432 264 L N -0.800 120.366 121.223 -0.094 0.000 2.191 264 L HA -0.271 4.068 4.340 -0.001 0.000 0.212 264 L C 2.578 179.415 176.870 -0.056 0.000 1.103 264 L CA 1.272 56.126 54.840 0.024 0.000 0.769 264 L CB -0.144 41.949 42.059 0.057 0.000 0.908 264 L HN 0.417 nan 8.230 nan 0.000 0.438 265 M N -1.131 118.349 119.600 -0.201 0.000 2.086 265 M HA -0.277 4.203 4.480 -0.001 0.000 0.261 265 M C 2.185 178.283 176.300 -0.337 0.000 1.067 265 M CA 1.616 56.709 55.300 -0.344 0.000 1.116 265 M CB -0.387 31.790 32.600 -0.705 0.000 1.348 265 M HN 0.193 nan 8.290 nan 0.000 0.407 266 L N -0.050 120.965 121.223 -0.346 0.000 2.017 266 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 266 L C 2.062 178.944 176.870 0.020 0.000 1.073 266 L CA 1.929 56.676 54.840 -0.156 0.000 0.745 266 L CB -0.591 41.357 42.059 -0.185 0.000 0.894 266 L HN 0.189 nan 8.230 nan 0.000 0.432 267 F N -0.936 119.036 119.950 0.038 0.000 2.186 267 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 267 F C 2.442 178.257 175.800 0.024 0.000 1.090 267 F CA 0.439 58.488 58.000 0.082 0.000 1.307 267 F CB -0.455 38.592 39.000 0.078 0.000 1.019 267 F HN 0.233 nan 8.300 nan 0.000 0.489 268 A N 0.303 123.223 122.820 0.168 0.000 1.898 268 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 268 A C 2.135 179.731 177.584 0.020 0.000 1.181 268 A CA 1.698 53.788 52.037 0.089 0.000 0.620 268 A CB -0.680 18.364 19.000 0.073 0.000 0.819 268 A HN 0.333 nan 8.150 nan 0.000 0.442 269 K N -0.211 120.152 120.400 -0.062 0.000 2.063 269 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 269 K C 1.742 178.209 176.600 -0.222 0.000 1.048 269 K CA 2.062 58.133 56.287 -0.361 0.000 0.928 269 K CB -0.283 32.000 32.500 -0.363 0.000 0.713 269 K HN 0.441 nan 8.250 nan 0.000 0.442 270 D N -0.237 120.141 120.400 -0.036 0.000 2.084 270 D HA -0.137 4.503 4.640 -0.001 0.000 0.196 270 D C 1.843 178.163 176.300 0.033 0.000 0.985 270 D CA 1.425 55.439 54.000 0.022 0.000 0.826 270 D CB 0.082 40.964 40.800 0.136 0.000 0.978 270 D HN 0.067 nan 8.370 nan 0.000 0.456 271 V N -0.070 119.893 119.914 0.081 0.000 2.307 271 V HA -0.183 3.936 4.120 -0.001 0.000 0.245 271 V C 2.587 178.704 176.094 0.037 0.000 1.045 271 V CA 1.326 63.675 62.300 0.082 0.000 1.024 271 V CB -0.346 31.544 31.823 0.111 0.000 0.651 271 V HN 0.171 nan 8.190 nan 0.000 0.449 272 V N 1.080 121.005 119.914 0.018 0.000 2.515 272 V HA -0.212 3.907 4.120 -0.001 0.000 0.250 272 V C 2.713 178.805 176.094 -0.004 0.000 1.058 272 V CA 1.984 64.295 62.300 0.018 0.000 1.064 272 V CB -0.836 31.015 31.823 0.047 0.000 0.675 272 V HN 0.777 nan 8.190 nan 0.000 0.461 273 S N 0.966 116.637 115.700 -0.050 0.000 2.400 273 S HA -0.238 4.231 4.470 -0.001 0.000 0.232 273 S C 1.968 176.562 174.600 -0.010 0.000 1.025 273 S CA 1.470 59.642 58.200 -0.046 0.000 0.993 273 S CB -0.406 62.748 63.200 -0.077 0.000 0.808 273 S HN 0.651 nan 8.310 nan 0.000 0.478 274 R N 1.112 121.612 120.500 -0.001 0.000 2.312 274 R HA 0.302 4.641 4.340 -0.001 0.000 0.205 274 R C -0.201 176.106 176.300 0.013 0.000 0.904 274 R CA 0.159 56.263 56.100 0.007 0.000 1.052 274 R CB 0.103 30.409 30.300 0.009 0.000 1.014 274 R HN 0.418 nan 8.270 nan 0.000 0.503 275 N N 1.266 119.976 118.700 0.018 0.000 2.750 275 N HA 0.208 4.948 4.740 -0.001 0.000 0.253 275 N C -2.868 172.657 175.510 0.025 0.000 1.408 275 N CA -1.232 51.830 53.050 0.020 0.000 0.780 275 N CB 1.871 40.372 38.487 0.024 0.000 1.191 275 N HN -0.123 nan 8.380 nan 0.000 0.511 276 P HA 0.043 nan 4.420 nan 0.000 0.264 276 P C 1.092 178.409 177.300 0.028 0.000 1.183 276 P CA 0.951 64.070 63.100 0.032 0.000 0.763 276 P CB 0.505 32.221 31.700 0.028 0.000 0.807 277 G N 1.641 110.462 108.800 0.035 0.000 2.184 277 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.264 277 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.264 277 G C 0.476 175.389 174.900 0.021 0.000 0.975 277 G CA 0.025 45.141 45.100 0.026 0.000 0.642 277 G HN 0.868 nan 8.290 nan 0.000 0.536 278 A N 0.092 122.927 122.820 0.025 0.000 2.498 278 A HA 0.475 4.794 4.320 -0.001 0.000 0.239 278 A C 0.340 177.934 177.584 0.017 0.000 1.068 278 A CA 0.525 52.573 52.037 0.018 0.000 0.766 278 A CB 0.231 19.246 19.000 0.025 0.000 1.003 278 A HN 0.311 nan 8.150 nan 0.000 0.497 279 D N 0.975 121.373 120.400 -0.003 0.000 2.390 279 D HA 0.404 5.043 4.640 -0.001 0.000 0.249 279 D C -0.113 176.186 176.300 -0.001 0.000 1.144 279 D CA 0.652 54.643 54.000 -0.014 0.000 0.880 279 D CB 0.516 41.285 40.800 -0.053 0.000 1.182 279 D HN 0.255 nan 8.370 nan 0.000 0.451 280 I N 3.549 124.134 120.570 0.025 0.000 2.447 280 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 280 I C 0.039 176.197 176.117 0.069 0.000 1.023 280 I CA -0.517 60.816 61.300 0.056 0.000 1.083 280 I CB 1.186 39.249 38.000 0.105 0.000 1.245 280 I HN 0.214 nan 8.210 nan 0.000 0.434 281 I N 6.978 127.553 120.570 0.007 0.000 2.428 281 I HA 0.463 4.632 4.170 -0.001 0.000 0.296 281 I C -0.556 175.594 176.117 0.054 0.000 0.985 281 I CA -0.559 60.688 61.300 -0.089 0.000 1.260 281 I CB 1.301 39.203 38.000 -0.162 0.000 1.389 281 I HN 0.447 nan 8.210 nan 0.000 0.484 282 F N 2.841 122.792 119.950 0.001 0.000 2.631 282 F HA 0.545 5.071 4.527 -0.001 0.000 0.308 282 F C -0.764 175.045 175.800 0.014 0.000 1.097 282 F CA -1.301 56.704 58.000 0.009 0.000 0.952 282 F CB 0.745 39.733 39.000 -0.019 0.000 1.307 282 F HN 0.434 nan 8.300 nan 0.000 0.450 283 D N 1.091 121.591 120.400 0.168 0.000 2.383 283 D HA 0.145 4.784 4.640 -0.001 0.000 0.248 283 D C 1.260 177.609 176.300 0.083 0.000 1.170 283 D CA -0.198 53.838 54.000 0.061 0.000 0.977 283 D CB 1.761 42.600 40.800 0.065 0.000 1.120 283 D HN 0.725 nan 8.370 nan 0.000 0.481 284 V N -1.708 118.194 119.914 -0.021 0.000 3.026 284 V HA -0.134 3.985 4.120 -0.001 0.000 0.265 284 V C 1.667 177.742 176.094 -0.030 0.000 1.121 284 V CA 1.048 63.315 62.300 -0.055 0.000 1.142 284 V CB -1.123 30.651 31.823 -0.081 0.000 0.730 284 V HN 0.454 nan 8.190 nan 0.000 0.503 285 K N -0.479 119.951 120.400 0.050 0.000 2.444 285 K HA 0.214 4.534 4.320 -0.001 0.000 0.193 285 K C 0.572 177.265 176.600 0.156 0.000 1.024 285 K CA 0.090 56.460 56.287 0.138 0.000 1.077 285 K CB -0.006 32.556 32.500 0.104 0.000 0.833 285 K HN 0.529 nan 8.250 nan 0.000 0.517 286 C N 0.909 120.214 119.300 0.008 0.000 2.398 286 C HA 0.165 4.624 4.460 -0.001 0.000 0.364 286 C C 1.051 175.884 174.990 -0.262 0.000 1.219 286 C CA -0.954 58.038 59.018 -0.043 0.000 2.312 286 C CB 1.027 28.750 27.740 -0.028 0.000 2.428 286 C HN 0.334 nan 8.230 nan 0.000 0.564 287 T N 1.441 115.944 114.554 -0.086 0.000 2.946 287 T HA 0.026 4.376 4.350 -0.001 0.000 0.311 287 T C 1.528 176.007 174.700 -0.368 0.000 1.063 287 T CA 0.066 62.147 62.100 -0.032 0.000 1.139 287 T CB 0.313 69.223 68.868 0.070 0.000 0.994 287 T HN 0.837 nan 8.240 nan 0.000 0.547 288 R N 4.081 124.324 120.500 -0.428 0.000 2.159 288 R HA -0.059 4.280 4.340 -0.001 0.000 0.237 288 R C 1.959 178.129 176.300 -0.217 0.000 1.131 288 R CA 0.751 56.618 56.100 -0.389 0.000 0.982 288 R CB -0.150 30.006 30.300 -0.239 0.000 0.868 288 R HN 0.460 nan 8.270 nan 0.000 0.453 289 R N 0.847 121.276 120.500 -0.119 0.000 2.159 289 R HA -0.089 4.250 4.340 -0.001 0.000 0.237 289 R C 2.062 178.267 176.300 -0.159 0.000 1.131 289 R CA 0.755 56.804 56.100 -0.085 0.000 0.982 289 R CB -0.718 29.570 30.300 -0.020 0.000 0.868 289 R HN 0.267 nan 8.270 nan 0.000 0.453 290 L N 0.991 122.043 121.223 -0.285 0.000 2.083 290 L HA -0.081 4.259 4.340 -0.001 0.000 0.209 290 L C 2.083 178.735 176.870 -0.363 0.000 1.083 290 L CA 1.358 55.969 54.840 -0.382 0.000 0.752 290 L CB -0.416 41.264 42.059 -0.631 0.000 0.899 290 L HN 0.050 nan 8.230 nan 0.000 0.433 291 I N -0.928 119.420 120.570 -0.370 0.000 2.179 291 I HA -0.303 3.867 4.170 -0.001 0.000 0.242 291 I C 2.541 178.617 176.117 -0.068 0.000 1.088 291 I CA 1.296 62.506 61.300 -0.150 0.000 1.357 291 I CB -0.645 37.313 38.000 -0.069 0.000 1.051 291 I HN 0.280 nan 8.210 nan 0.000 0.409 292 A N 0.806 123.579 122.820 -0.079 0.000 1.898 292 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 292 A C 2.322 179.867 177.584 -0.065 0.000 1.181 292 A CA 1.143 53.148 52.037 -0.053 0.000 0.620 292 A CB -0.762 18.212 19.000 -0.044 0.000 0.819 292 A HN 0.407 nan 8.150 nan 0.000 0.442 293 L N 0.229 121.409 121.223 -0.071 0.000 2.012 293 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 293 L C 2.260 179.135 176.870 0.008 0.000 1.073 293 L CA 2.139 56.943 54.840 -0.060 0.000 0.748 293 L CB -1.045 40.996 42.059 -0.030 0.000 0.891 293 L HN 0.468 nan 8.230 nan 0.000 0.431 294 I N -0.323 120.269 120.570 0.038 0.000 2.179 294 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 294 I C 2.525 178.696 176.117 0.089 0.000 1.088 294 I CA 1.343 62.708 61.300 0.108 0.000 1.357 294 I CB -0.375 37.680 38.000 0.092 0.000 1.051 294 I HN 0.200 nan 8.210 nan 0.000 0.409 295 S N 0.802 116.524 115.700 0.037 0.000 2.370 295 S HA -0.154 4.315 4.470 -0.001 0.000 0.226 295 S C 2.140 176.737 174.600 -0.004 0.000 1.033 295 S CA 1.425 59.638 58.200 0.022 0.000 1.011 295 S CB -0.843 62.361 63.200 0.007 0.000 0.852 295 S HN 0.661 nan 8.310 nan 0.000 0.457 296 G N -0.161 108.597 108.800 -0.070 0.000 2.432 296 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.219 296 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.219 296 G C 0.889 175.697 174.900 -0.154 0.000 1.135 296 G CA 0.492 45.498 45.100 -0.158 0.000 0.767 296 G HN 0.517 nan 8.290 nan 0.000 0.550 297 Y N 0.445 120.764 120.300 0.031 0.000 2.529 297 Y HA 0.311 4.861 4.550 -0.001 0.000 0.290 297 Y C 2.159 178.076 175.900 0.029 0.000 1.177 297 Y CA -0.272 57.849 58.100 0.034 0.000 1.305 297 Y CB 0.077 38.563 38.460 0.042 0.000 1.047 297 Y HN 0.307 nan 8.280 nan 0.000 0.522 298 G N -0.594 108.288 108.800 0.137 0.000 2.141 298 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.242 298 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.242 298 G C 0.733 175.683 174.900 0.083 0.000 0.982 298 G CA -0.078 45.076 45.100 0.090 0.000 0.662 298 G HN 0.732 nan 8.290 nan 0.000 0.527 299 G N -0.746 108.117 108.800 0.104 0.000 2.572 299 G HA2 0.536 4.495 3.960 -0.001 0.000 0.261 299 G HA3 0.536 4.495 3.960 -0.001 0.000 0.261 299 G C 0.048 174.987 174.900 0.064 0.000 1.197 299 G CA -0.698 44.452 45.100 0.083 0.000 0.870 299 G HN 0.360 nan 8.290 nan 0.000 0.548 300 R N 1.606 122.136 120.500 0.050 0.000 2.215 300 R HA 0.244 4.583 4.340 -0.001 0.000 0.337 300 R C -2.433 173.901 176.300 0.057 0.000 1.010 300 R CA -1.469 54.654 56.100 0.038 0.000 0.871 300 R CB 1.859 32.164 30.300 0.009 0.000 1.134 300 R HN 0.386 nan 8.270 nan 0.000 0.477 301 P HA 0.085 nan 4.420 nan 0.000 0.276 301 P C -0.524 176.820 177.300 0.074 0.000 1.235 301 P CA -0.191 63.030 63.100 0.202 0.000 0.772 301 P CB 1.281 33.153 31.700 0.285 0.000 0.871 302 V N 5.396 125.260 119.914 -0.083 0.000 2.380 302 V HA 0.289 4.408 4.120 -0.001 0.000 0.286 302 V C 0.474 176.167 176.094 -0.670 0.000 1.015 302 V CA -0.603 61.539 62.300 -0.264 0.000 0.834 302 V CB 1.357 33.055 31.823 -0.208 0.000 1.009 302 V HN 0.615 nan 8.190 nan 0.000 0.428 303 M N 5.627 124.829 119.600 -0.664 0.000 2.211 303 M HA 0.408 4.887 4.480 -0.001 0.000 0.356 303 M C -0.959 175.239 176.300 -0.171 0.000 1.216 303 M CA 0.223 55.051 55.300 -0.788 0.000 1.134 303 M CB 1.024 33.385 32.600 -0.398 0.000 1.564 303 M HN 0.807 nan 8.290 nan 0.000 0.463 304 W N 4.030 125.074 121.300 -0.427 0.000 3.003 304 W HA 0.370 5.029 4.660 -0.002 0.000 0.362 304 W C -1.019 175.402 176.519 -0.163 0.000 1.213 304 W CA -0.909 56.285 57.345 -0.253 0.000 1.157 304 W CB 1.580 30.891 29.460 -0.248 0.000 1.493 304 W HN 0.497 nan 8.180 nan 0.000 0.589 305 K N 1.713 121.465 120.400 -1.080 0.000 2.436 305 K HA 0.118 4.437 4.320 -0.001 0.000 0.275 305 K C 0.221 176.669 176.600 -0.254 0.000 0.999 305 K CA 0.466 56.343 56.287 -0.684 0.000 0.980 305 K CB 0.547 32.551 32.500 -0.827 0.000 0.919 305 K HN 0.159 nan 8.250 nan 0.000 0.484 306 T N 1.611 116.093 114.554 -0.120 0.000 2.932 306 T HA 0.312 4.662 4.350 -0.001 0.000 0.312 306 T C 0.360 175.016 174.700 -0.073 0.000 1.071 306 T CA 0.520 62.611 62.100 -0.015 0.000 1.128 306 T CB 0.630 69.537 68.868 0.065 0.000 0.984 306 T HN 0.803 nan 8.240 nan 0.000 0.549 307 G N 1.756 110.435 108.800 -0.201 0.000 3.239 307 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.666 307 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.666 307 G C 0.111 174.726 174.900 -0.474 0.000 1.313 307 G CA 0.028 44.635 45.100 -0.822 0.000 1.001 307 G HN 1.066 nan 8.290 nan 0.000 0.573 308 H N 0.724 119.532 119.070 -0.438 0.000 2.353 308 H HA -0.079 4.477 4.556 -0.001 0.000 0.298 308 H C 2.508 177.823 175.328 -0.022 0.000 1.103 308 H CA 2.469 58.453 56.048 -0.106 0.000 1.293 308 H CB -0.029 29.522 29.762 -0.350 0.000 1.372 308 H HN 0.403 nan 8.280 nan 0.000 0.501 309 S N 0.834 116.013 115.700 -0.868 0.000 2.383 309 S HA -0.056 4.413 4.470 -0.001 0.000 0.227 309 S C 2.165 176.654 174.600 -0.186 0.000 1.026 309 S CA 1.295 59.205 58.200 -0.482 0.000 0.981 309 S CB -0.228 62.742 63.200 -0.384 0.000 0.818 309 S HN 0.349 nan 8.310 nan 0.000 0.472 310 L N 1.002 122.139 121.223 -0.143 0.000 2.056 310 L HA -0.048 4.292 4.340 -0.001 0.000 0.207 310 L C 2.198 179.113 176.870 0.076 0.000 1.078 310 L CA 0.750 55.615 54.840 0.042 0.000 0.749 310 L CB -0.626 41.477 42.059 0.074 0.000 0.901 310 L HN 0.276 nan 8.230 nan 0.000 0.433 311 I N 0.391 120.920 120.570 -0.068 0.000 2.226 311 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 311 I C 2.473 178.355 176.117 -0.392 0.000 1.100 311 I CA 1.574 62.727 61.300 -0.245 0.000 1.374 311 I CB -0.836 36.844 38.000 -0.532 0.000 1.057 311 I HN 0.283 nan 8.210 nan 0.000 0.413 312 K N 0.890 121.106 120.400 -0.307 0.000 2.057 312 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 312 K C 2.121 178.641 176.600 -0.134 0.000 1.049 312 K CA 1.340 57.524 56.287 -0.171 0.000 0.931 312 K CB -0.001 32.495 32.500 -0.007 0.000 0.714 312 K HN 0.259 nan 8.250 nan 0.000 0.440 313 K N 0.444 120.776 120.400 -0.112 0.000 2.097 313 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 313 K C 2.035 178.526 176.600 -0.181 0.000 1.050 313 K CA 1.126 57.352 56.287 -0.102 0.000 0.938 313 K CB -0.005 32.467 32.500 -0.045 0.000 0.718 313 K HN -0.119 nan 8.250 nan 0.000 0.442 314 K N 1.203 121.443 120.400 -0.266 0.000 2.148 314 K HA -0.011 4.309 4.320 -0.001 0.000 0.204 314 K C 1.832 178.223 176.600 -0.348 0.000 1.050 314 K CA 1.314 57.316 56.287 -0.475 0.000 0.942 314 K CB -0.011 32.017 32.500 -0.786 0.000 0.724 314 K HN 0.068 nan 8.250 nan 0.000 0.446 315 M N 0.037 119.478 119.600 -0.264 0.000 2.159 315 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 315 M C 2.442 178.657 176.300 -0.141 0.000 1.063 315 M CA 2.218 57.403 55.300 -0.190 0.000 1.110 315 M CB -0.334 32.175 32.600 -0.152 0.000 1.374 315 M HN 0.217 nan 8.290 nan 0.000 0.411 316 K N 0.677 121.000 120.400 -0.128 0.000 2.057 316 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 316 K C 1.895 178.425 176.600 -0.117 0.000 1.050 316 K CA 1.965 58.194 56.287 -0.097 0.000 0.935 316 K CB -1.831 30.623 32.500 -0.077 0.000 0.715 316 K HN 0.592 nan 8.250 nan 0.000 0.439 317 E N 0.811 120.913 120.200 -0.163 0.000 2.204 317 E HA -0.121 4.228 4.350 -0.001 0.000 0.194 317 E C 2.096 178.592 176.600 -0.173 0.000 0.989 317 E CA 2.012 58.307 56.400 -0.175 0.000 0.824 317 E CB -0.932 28.627 29.700 -0.234 0.000 0.756 317 E HN 0.860 nan 8.360 nan 0.000 0.477 318 T N -5.119 109.323 114.554 -0.187 0.000 3.014 318 T HA 0.416 4.765 4.350 -0.001 0.000 0.250 318 T C 1.926 176.558 174.700 -0.112 0.000 1.060 318 T CA 1.049 63.050 62.100 -0.164 0.000 1.040 318 T CB 0.473 69.220 68.868 -0.201 0.000 0.971 318 T HN 1.428 nan 8.240 nan 0.000 0.497 319 G N 1.930 110.670 108.800 -0.099 0.000 2.176 319 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.252 319 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.252 319 G C 0.278 175.143 174.900 -0.059 0.000 1.024 319 G CA -0.049 45.010 45.100 -0.068 0.000 0.755 319 G HN 1.194 nan 8.290 nan 0.000 0.507 320 A N -0.576 122.197 122.820 -0.078 0.000 2.511 320 A HA 0.609 4.929 4.320 -0.001 0.000 0.242 320 A C 1.464 179.030 177.584 -0.029 0.000 1.069 320 A CA 0.508 52.508 52.037 -0.061 0.000 0.763 320 A CB 0.264 19.208 19.000 -0.093 0.000 1.001 320 A HN 0.814 nan 8.150 nan 0.000 0.498 321 L N 1.153 122.372 121.223 -0.007 0.000 2.509 321 L HA 0.205 4.545 4.340 -0.001 0.000 0.222 321 L C 0.080 176.966 176.870 0.026 0.000 1.123 321 L CA 0.424 55.278 54.840 0.022 0.000 0.856 321 L CB -0.286 41.794 42.059 0.035 0.000 0.985 321 L HN 0.659 nan 8.230 nan 0.000 0.456 322 L N -0.578 120.637 121.223 -0.013 0.000 2.545 322 L HA 0.786 5.125 4.340 -0.001 0.000 0.258 322 L C -1.505 175.343 176.870 -0.038 0.000 0.942 322 L CA -0.276 54.519 54.840 -0.074 0.000 0.855 322 L CB 1.912 43.890 42.059 -0.134 0.000 1.374 322 L HN -0.146 nan 8.230 nan 0.000 0.411 323 A N 2.046 124.864 122.820 -0.002 0.000 2.556 323 A HA 1.017 5.336 4.320 -0.001 0.000 0.294 323 A C -0.749 176.980 177.584 0.241 0.000 1.091 323 A CA -0.054 52.007 52.037 0.041 0.000 0.704 323 A CB 1.833 20.720 19.000 -0.188 0.000 1.300 323 A HN 1.319 nan 8.150 nan 0.000 0.406 324 G N -0.042 108.914 108.800 0.259 0.000 2.718 324 G HA2 0.600 4.559 3.960 -0.001 0.000 0.295 324 G HA3 0.600 4.559 3.960 -0.001 0.000 0.295 324 G C -1.466 173.631 174.900 0.328 0.000 1.421 324 G CA -0.510 44.804 45.100 0.357 0.000 0.902 324 G HN 0.683 nan 8.290 nan 0.000 0.501 325 E N 0.900 121.318 120.200 0.363 0.000 2.221 325 E HA 0.281 4.630 4.350 -0.001 0.000 0.268 325 E C 0.869 177.591 176.600 0.204 0.000 0.933 325 E CA -1.165 55.404 56.400 0.282 0.000 0.809 325 E CB 2.378 32.284 29.700 0.344 0.000 1.190 325 E HN 0.414 nan 8.360 nan 0.000 0.406 326 M N 1.802 121.497 119.600 0.158 0.000 2.267 326 M HA -0.162 4.317 4.480 -0.001 0.000 0.263 326 M C 1.749 178.111 176.300 0.103 0.000 1.063 326 M CA 1.831 57.201 55.300 0.117 0.000 1.090 326 M CB -0.278 32.377 32.600 0.093 0.000 1.392 326 M HN 0.481 nan 8.290 nan 0.000 0.422 327 S N -1.255 114.508 115.700 0.104 0.000 2.515 327 S HA 0.268 4.738 4.470 -0.001 0.000 0.231 327 S C 1.636 176.213 174.600 -0.039 0.000 0.987 327 S CA 0.488 58.709 58.200 0.036 0.000 0.936 327 S CB -0.748 62.487 63.200 0.058 0.000 0.766 327 S HN 0.913 nan 8.310 nan 0.000 0.528 328 G N 0.680 109.493 108.800 0.021 0.000 2.159 328 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.227 328 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.227 328 G C -0.193 174.688 174.900 -0.031 0.000 0.986 328 G CA -0.141 44.956 45.100 -0.005 0.000 0.651 328 G HN 0.630 nan 8.290 nan 0.000 0.523 329 H N 0.250 119.380 119.070 0.101 0.000 2.878 329 H HA 0.441 4.996 4.556 -0.001 0.000 0.290 329 H C -0.075 175.265 175.328 0.020 0.000 1.065 329 H CA 0.431 56.480 56.048 0.002 0.000 1.477 329 H CB 1.208 31.008 29.762 0.063 0.000 1.484 329 H HN 0.134 nan 8.280 nan 0.000 0.504 330 V N 5.977 125.902 119.914 0.019 0.000 2.487 330 V HA 0.217 4.337 4.120 -0.001 0.000 0.298 330 V C -0.571 175.525 176.094 0.004 0.000 1.028 330 V CA -0.744 61.630 62.300 0.123 0.000 0.860 330 V CB 1.325 33.265 31.823 0.194 0.000 0.991 330 V HN 0.445 nan 8.190 nan 0.000 0.427 331 F N 4.398 124.382 119.950 0.057 0.000 2.359 331 F HA 0.579 5.105 4.527 -0.001 0.000 0.369 331 F C -0.298 175.483 175.800 -0.031 0.000 1.084 331 F CA -0.962 57.108 58.000 0.116 0.000 1.096 331 F CB 0.726 39.794 39.000 0.114 0.000 1.335 331 F HN 0.270 nan 8.300 nan 0.000 0.457 332 F N 2.783 122.888 119.950 0.258 0.000 2.420 332 F HA 0.324 4.851 4.527 -0.001 0.000 0.352 332 F C 1.418 177.340 175.800 0.202 0.000 1.108 332 F CA -0.288 57.824 58.000 0.188 0.000 1.162 332 F CB 1.415 40.526 39.000 0.186 0.000 1.118 332 F HN 0.352 nan 8.300 nan 0.000 0.510 333 K N 1.859 122.413 120.400 0.256 0.000 2.214 333 K HA 0.010 4.330 4.320 -0.001 0.000 0.201 333 K C 0.499 177.173 176.600 0.123 0.000 1.049 333 K CA 0.472 56.843 56.287 0.140 0.000 0.978 333 K CB 0.008 32.547 32.500 0.065 0.000 0.842 333 K HN 0.535 nan 8.250 nan 0.000 0.474 334 E N 1.714 122.012 120.200 0.164 0.000 2.480 334 E HA -0.079 4.270 4.350 -0.001 0.000 0.258 334 E C -0.567 176.123 176.600 0.150 0.000 0.984 334 E CA 0.366 56.844 56.400 0.130 0.000 0.930 334 E CB 0.172 29.957 29.700 0.142 0.000 0.936 334 E HN 0.267 nan 8.360 nan 0.000 0.466 335 R N 1.415 121.950 120.500 0.058 0.000 4.000 335 R HA -0.223 4.116 4.340 -0.001 0.000 0.348 335 R C -0.066 176.275 176.300 0.068 0.000 1.204 335 R CA 1.738 57.865 56.100 0.044 0.000 0.987 335 R CB -1.439 28.901 30.300 0.066 0.000 1.446 335 R HN 0.734 nan 8.270 nan 0.000 0.555 336 W N -1.966 119.116 121.300 -0.363 0.000 3.690 336 W HA 0.352 5.011 4.660 -0.001 0.000 0.395 336 W C -0.574 175.502 176.519 -0.738 0.000 1.113 336 W CA -0.594 56.375 57.345 -0.627 0.000 1.158 336 W CB 0.417 29.544 29.460 -0.555 0.000 1.555 336 W HN -0.181 nan 8.180 nan 0.000 0.628 337 F N 0.589 120.101 119.950 -0.729 0.000 2.728 337 F HA 0.293 4.819 4.527 -0.001 0.000 0.314 337 F C 1.476 177.116 175.800 -0.267 0.000 1.094 337 F CA 0.877 58.549 58.000 -0.546 0.000 1.217 337 F CB 0.807 39.382 39.000 -0.709 0.000 1.056 337 F HN 0.599 nan 8.300 nan 0.000 0.577 338 G N 0.879 109.657 108.800 -0.036 0.000 2.175 338 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.244 338 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.244 338 G C 0.188 175.268 174.900 0.299 0.000 0.982 338 G CA 0.071 45.255 45.100 0.141 0.000 0.641 338 G HN 0.278 nan 8.290 nan 0.000 0.527 339 F N 1.702 121.882 119.950 0.383 0.000 2.403 339 F HA 0.707 5.234 4.527 -0.001 0.000 0.326 339 F C 0.258 176.295 175.800 0.395 0.000 1.081 339 F CA -2.266 55.957 58.000 0.371 0.000 1.041 339 F CB 0.522 39.648 39.000 0.209 0.000 1.234 339 F HN 0.108 nan 8.300 nan 0.000 0.503 340 D N 0.624 121.250 120.400 0.378 0.000 2.389 340 D HA 0.256 4.895 4.640 -0.001 0.000 0.247 340 D C -1.033 175.546 176.300 0.465 0.000 1.128 340 D CA -0.020 53.914 54.000 -0.111 0.000 0.884 340 D CB 1.369 41.724 40.800 -0.743 0.000 1.194 340 D HN 0.666 nan 8.370 nan 0.000 0.441 341 D N 0.710 121.336 120.400 0.378 0.000 2.333 341 D HA 0.200 4.839 4.640 -0.001 0.000 0.225 341 D C 0.995 177.503 176.300 0.347 0.000 1.345 341 D CA -0.615 53.677 54.000 0.487 0.000 0.971 341 D CB 1.043 42.295 40.800 0.753 0.000 1.451 341 D HN 0.414 nan 8.370 nan 0.000 0.561 342 G N 2.412 111.391 108.800 0.300 0.000 2.422 342 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 342 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 342 G C 1.585 176.736 174.900 0.418 0.000 1.140 342 G CA 0.601 45.914 45.100 0.355 0.000 0.775 342 G HN 0.558 nan 8.290 nan 0.000 0.545 343 I N -1.051 119.660 120.570 0.236 0.000 2.233 343 I HA -0.067 4.102 4.170 -0.001 0.000 0.243 343 I C 2.389 178.552 176.117 0.077 0.000 1.093 343 I CA 0.818 62.178 61.300 0.100 0.000 1.380 343 I CB -0.291 37.699 38.000 -0.017 0.000 1.067 343 I HN 0.159 nan 8.210 nan 0.000 0.413 344 Y N 1.528 121.783 120.300 -0.074 0.000 2.224 344 Y HA -0.265 4.285 4.550 -0.001 0.000 0.289 344 Y C 2.722 178.399 175.900 -0.372 0.000 1.146 344 Y CA 1.640 59.487 58.100 -0.423 0.000 1.182 344 Y CB -0.264 37.701 38.460 -0.825 0.000 0.983 344 Y HN 0.047 nan 8.280 nan 0.000 0.524 345 S N 0.072 115.700 115.700 -0.119 0.000 2.383 345 S HA -0.168 4.301 4.470 -0.001 0.000 0.227 345 S C 2.277 176.891 174.600 0.023 0.000 1.026 345 S CA 0.941 59.119 58.200 -0.037 0.000 0.981 345 S CB -0.731 62.647 63.200 0.297 0.000 0.818 345 S HN 0.629 nan 8.310 nan 0.000 0.472 346 A N 1.590 124.466 122.820 0.094 0.000 1.902 346 A HA 0.077 4.397 4.320 -0.001 0.000 0.217 346 A C 2.343 179.906 177.584 -0.035 0.000 1.181 346 A CA 1.717 53.820 52.037 0.110 0.000 0.623 346 A CB -1.043 18.107 19.000 0.250 0.000 0.818 346 A HN 0.514 nan 8.150 nan 0.000 0.443 347 A N -0.580 122.115 122.820 -0.208 0.000 1.902 347 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 347 A C 2.211 179.557 177.584 -0.396 0.000 1.181 347 A CA 1.409 53.253 52.037 -0.322 0.000 0.623 347 A CB -0.413 18.314 19.000 -0.454 0.000 0.818 347 A HN 0.385 nan 8.150 nan 0.000 0.443 348 R N -0.943 119.188 120.500 -0.616 0.000 2.092 348 R HA -0.068 4.271 4.340 -0.001 0.000 0.231 348 R C 2.038 178.312 176.300 -0.044 0.000 1.119 348 R CA 1.282 57.040 56.100 -0.570 0.000 0.970 348 R CB -1.195 28.386 30.300 -1.199 0.000 0.864 348 R HN 0.544 nan 8.270 nan 0.000 0.440 349 L N 1.004 122.346 121.223 0.198 0.000 2.056 349 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 349 L C 2.096 179.020 176.870 0.090 0.000 1.078 349 L CA 1.526 56.540 54.840 0.290 0.000 0.749 349 L CB -0.484 41.742 42.059 0.278 0.000 0.901 349 L HN 0.058 nan 8.230 nan 0.000 0.433 350 L N -0.603 120.631 121.223 0.019 0.000 2.093 350 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 350 L C 2.570 179.418 176.870 -0.037 0.000 1.085 350 L CA 1.558 56.390 54.840 -0.014 0.000 0.755 350 L CB -0.646 41.392 42.059 -0.035 0.000 0.904 350 L HN 0.436 nan 8.230 nan 0.000 0.435 351 E N 0.977 121.136 120.200 -0.069 0.000 2.058 351 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 351 E C 2.265 178.840 176.600 -0.042 0.000 0.997 351 E CA 1.553 57.908 56.400 -0.075 0.000 0.801 351 E CB -0.053 29.572 29.700 -0.124 0.000 0.746 351 E HN 0.474 nan 8.360 nan 0.000 0.450 352 I N 0.747 121.309 120.570 -0.013 0.000 2.252 352 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 352 I C 2.415 178.514 176.117 -0.031 0.000 1.102 352 I CA 0.771 62.068 61.300 -0.006 0.000 1.385 352 I CB -0.167 37.858 38.000 0.041 0.000 1.064 352 I HN 0.191 nan 8.210 nan 0.000 0.414 353 L N 0.406 121.612 121.223 -0.028 0.000 2.141 353 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 353 L C 2.704 179.554 176.870 -0.034 0.000 1.094 353 L CA 1.533 56.348 54.840 -0.041 0.000 0.763 353 L CB -0.596 41.454 42.059 -0.014 0.000 0.908 353 L HN 0.382 nan 8.230 nan 0.000 0.437 354 S N -1.245 114.438 115.700 -0.029 0.000 2.489 354 S HA -0.159 4.311 4.470 -0.001 0.000 0.228 354 S C 1.701 176.282 174.600 -0.031 0.000 0.995 354 S CA 0.442 58.625 58.200 -0.028 0.000 0.934 354 S CB -0.101 63.081 63.200 -0.030 0.000 0.771 354 S HN 0.468 nan 8.310 nan 0.000 0.522 355 Q N 0.761 120.540 119.800 -0.035 0.000 2.403 355 Q HA 0.258 4.597 4.340 -0.001 0.000 0.203 355 Q C -0.331 175.646 176.000 -0.038 0.000 0.932 355 Q CA 0.141 55.924 55.803 -0.034 0.000 0.945 355 Q CB 0.278 28.996 28.738 -0.033 0.000 1.045 355 Q HN 0.501 nan 8.270 nan 0.000 0.511 356 D N -0.769 119.604 120.400 -0.044 0.000 2.217 356 D HA 0.130 4.770 4.640 -0.001 0.000 0.243 356 D C 0.653 176.925 176.300 -0.047 0.000 1.054 356 D CA 0.111 54.080 54.000 -0.051 0.000 0.838 356 D CB 1.541 42.300 40.800 -0.069 0.000 1.162 356 D HN 0.148 nan 8.370 nan 0.000 0.472 357 Q N 3.819 123.590 119.800 -0.048 0.000 2.167 357 Q HA -0.087 4.252 4.340 -0.001 0.000 0.202 357 Q C 1.155 177.121 176.000 -0.055 0.000 0.970 357 Q CA 0.986 56.761 55.803 -0.048 0.000 0.855 357 Q CB -0.368 28.341 28.738 -0.048 0.000 0.911 357 Q HN 0.512 nan 8.270 nan 0.000 0.438 358 R N 1.934 122.397 120.500 -0.063 0.000 2.707 358 R HA 0.340 4.680 4.340 -0.001 0.000 0.270 358 R C -0.301 175.980 176.300 -0.031 0.000 1.083 358 R CA -0.144 55.915 56.100 -0.069 0.000 1.182 358 R CB 0.292 30.555 30.300 -0.061 0.000 1.084 358 R HN 0.710 nan 8.270 nan 0.000 0.528 359 D N -0.467 119.933 120.400 -0.000 0.000 2.377 359 D HA -0.035 4.605 4.640 -0.001 0.000 0.245 359 D C 0.714 177.061 176.300 0.079 0.000 1.196 359 D CA -0.440 53.588 54.000 0.048 0.000 0.962 359 D CB 0.706 41.552 40.800 0.075 0.000 1.127 359 D HN 0.435 nan 8.370 nan 0.000 0.471 360 S N -0.424 115.326 115.700 0.083 0.000 2.402 360 S HA -0.250 4.219 4.470 -0.001 0.000 0.229 360 S C 1.639 176.359 174.600 0.199 0.000 1.021 360 S CA 1.140 59.413 58.200 0.122 0.000 0.974 360 S CB -0.522 62.773 63.200 0.159 0.000 0.800 360 S HN 0.603 nan 8.310 nan 0.000 0.484 361 E N 1.702 121.992 120.200 0.149 0.000 2.058 361 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 361 E C 1.745 178.356 176.600 0.019 0.000 0.997 361 E CA 1.874 58.326 56.400 0.086 0.000 0.801 361 E CB -0.621 29.088 29.700 0.015 0.000 0.746 361 E HN 0.786 nan 8.360 nan 0.000 0.450 362 H N -1.090 117.993 119.070 0.022 0.000 2.395 362 H HA 0.040 4.595 4.556 -0.001 0.000 0.299 362 H C 2.049 177.331 175.328 -0.076 0.000 1.070 362 H CA 1.276 57.311 56.048 -0.022 0.000 1.356 362 H CB -0.045 29.694 29.762 -0.038 0.000 1.401 362 H HN 0.019 nan 8.280 nan 0.000 0.524 363 V N 0.153 120.066 119.914 -0.003 0.000 2.287 363 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 363 V C 1.800 177.734 176.094 -0.266 0.000 1.053 363 V CA 1.907 64.087 62.300 -0.201 0.000 1.027 363 V CB -0.563 31.081 31.823 -0.299 0.000 0.646 363 V HN 0.360 nan 8.190 nan 0.000 0.447 364 F N 0.627 120.601 119.950 0.040 0.000 2.335 364 F HA -0.087 4.440 4.527 -0.001 0.000 0.296 364 F C 2.662 178.518 175.800 0.092 0.000 1.091 364 F CA 1.113 59.198 58.000 0.143 0.000 1.399 364 F CB -0.390 38.663 39.000 0.087 0.000 1.067 364 F HN 0.240 nan 8.300 nan 0.000 0.520 365 S N 0.247 116.030 115.700 0.138 0.000 2.481 365 S HA -0.062 4.407 4.470 -0.001 0.000 0.231 365 S C 2.067 176.660 174.600 -0.012 0.000 0.996 365 S CA 0.609 58.834 58.200 0.043 0.000 0.942 365 S CB -0.555 62.601 63.200 -0.074 0.000 0.768 365 S HN 0.229 nan 8.310 nan 0.000 0.520 366 A N 0.915 123.662 122.820 -0.121 0.000 1.972 366 A HA 0.234 4.553 4.320 -0.001 0.000 0.219 366 A C 0.571 178.016 177.584 -0.231 0.000 1.169 366 A CA 0.415 52.311 52.037 -0.235 0.000 0.635 366 A CB -0.744 18.017 19.000 -0.398 0.000 0.810 366 A HN 0.518 nan 8.150 nan 0.000 0.446 367 F N 0.332 120.309 119.950 0.046 0.000 2.418 367 F HA 0.387 4.913 4.527 -0.001 0.000 0.341 367 F C -1.882 173.943 175.800 0.041 0.000 1.120 367 F CA -2.519 55.511 58.000 0.051 0.000 1.232 367 F CB -0.163 38.885 39.000 0.079 0.000 1.175 367 F HN -0.041 nan 8.300 nan 0.000 0.569 368 P HA 0.115 nan 4.420 nan 0.000 0.266 368 P C -1.133 176.243 177.300 0.126 0.000 1.195 368 P CA 0.028 63.206 63.100 0.131 0.000 0.768 368 P CB 0.572 32.332 31.700 0.100 0.000 0.838 369 S N 1.254 117.009 115.700 0.092 0.000 2.542 369 S HA 0.592 5.061 4.470 -0.001 0.000 0.293 369 S C -0.850 173.789 174.600 0.064 0.000 1.089 369 S CA -0.753 57.495 58.200 0.080 0.000 0.961 369 S CB 1.710 64.954 63.200 0.073 0.000 1.062 369 S HN 0.305 nan 8.310 nan 0.000 0.483 370 D N 0.484 120.922 120.400 0.063 0.000 2.414 370 D HA 0.527 5.166 4.640 -0.001 0.000 0.241 370 D C -0.358 175.957 176.300 0.025 0.000 1.008 370 D CA -0.644 53.386 54.000 0.051 0.000 1.001 370 D CB 0.904 41.749 40.800 0.076 0.000 1.277 370 D HN 0.396 nan 8.370 nan 0.000 0.538 371 I N 1.048 121.621 120.570 0.005 0.000 2.471 371 I HA 0.174 4.344 4.170 -0.001 0.000 0.286 371 I C 0.546 176.633 176.117 -0.050 0.000 1.079 371 I CA 0.129 61.418 61.300 -0.019 0.000 1.398 371 I CB 0.574 38.559 38.000 -0.023 0.000 1.403 371 I HN 0.153 nan 8.210 nan 0.000 0.530 372 S N 4.327 119.988 115.700 -0.065 0.000 2.600 372 S HA 0.659 5.129 4.470 -0.001 0.000 0.300 372 S C -0.162 174.364 174.600 -0.124 0.000 1.087 372 S CA -0.677 57.452 58.200 -0.119 0.000 0.965 372 S CB 1.852 64.975 63.200 -0.129 0.000 1.089 372 S HN 0.660 nan 8.310 nan 0.000 0.496 373 T N 0.856 115.318 114.554 -0.154 0.000 2.899 373 T HA 0.654 5.003 4.350 -0.001 0.000 0.284 373 T C -2.606 171.992 174.700 -0.169 0.000 1.004 373 T CA -1.561 60.466 62.100 -0.121 0.000 1.043 373 T CB 0.491 69.315 68.868 -0.074 0.000 1.013 373 T HN 0.610 nan 8.240 nan 0.000 0.518 374 P HA 0.211 nan 4.420 nan 0.000 0.274 374 P C -0.001 177.220 177.300 -0.133 0.000 1.237 374 P CA -0.496 62.518 63.100 -0.144 0.000 0.793 374 P CB 0.378 32.034 31.700 -0.074 0.000 0.977 375 E N 0.578 120.697 120.200 -0.135 0.000 2.653 375 E HA -0.027 4.322 4.350 -0.001 0.000 0.264 375 E C -0.240 176.312 176.600 -0.080 0.000 0.949 375 E CA 0.481 56.813 56.400 -0.114 0.000 0.953 375 E CB 0.055 29.710 29.700 -0.075 0.000 0.925 375 E HN 0.320 nan 8.360 nan 0.000 0.475 376 I N 3.679 124.188 120.570 -0.101 0.000 2.441 376 I HA 0.257 4.426 4.170 -0.001 0.000 0.295 376 I C -0.020 176.081 176.117 -0.028 0.000 0.994 376 I CA -0.415 60.856 61.300 -0.049 0.000 1.144 376 I CB 1.577 39.527 38.000 -0.082 0.000 1.314 376 I HN 0.402 nan 8.210 nan 0.000 0.445 377 N N 6.575 125.288 118.700 0.022 0.000 2.296 377 N HA 0.604 5.344 4.740 -0.001 0.000 0.294 377 N C -1.289 174.261 175.510 0.066 0.000 1.033 377 N CA -0.643 52.428 53.050 0.034 0.000 0.839 377 N CB 2.488 40.994 38.487 0.032 0.000 1.395 377 N HN 0.371 nan 8.380 nan 0.000 0.479 378 I N 1.734 122.347 120.570 0.072 0.000 2.382 378 I HA 0.194 4.363 4.170 -0.001 0.000 0.286 378 I C -0.024 176.127 176.117 0.056 0.000 1.002 378 I CA -0.545 60.807 61.300 0.086 0.000 1.135 378 I CB 1.813 39.888 38.000 0.126 0.000 1.288 378 I HN 0.323 nan 8.210 nan 0.000 0.448 379 T N 6.371 120.954 114.554 0.048 0.000 2.779 379 T HA 0.312 4.662 4.350 -0.001 0.000 0.296 379 T C 0.588 175.304 174.700 0.027 0.000 0.938 379 T CA -0.360 61.759 62.100 0.032 0.000 1.119 379 T CB 0.850 69.737 68.868 0.032 0.000 0.891 379 T HN 0.492 nan 8.240 nan 0.000 0.526 380 V N 1.285 121.205 119.914 0.011 0.000 6.149 380 V HA 0.863 4.982 4.120 -0.001 0.000 0.279 380 V C 0.386 176.474 176.094 -0.010 0.000 1.601 380 V CA -0.594 61.708 62.300 0.003 0.000 0.658 380 V CB 0.973 32.794 31.823 -0.003 0.000 1.462 380 V HN 0.810 nan 8.190 nan 0.000 0.397 381 T N -4.256 110.283 114.554 -0.025 0.000 2.924 381 T HA 0.710 5.059 4.350 -0.001 0.000 0.291 381 T C 0.831 175.490 174.700 -0.068 0.000 1.045 381 T CA 0.351 62.434 62.100 -0.029 0.000 1.015 381 T CB 1.553 70.414 68.868 -0.012 0.000 1.103 381 T HN 1.297 nan 8.240 nan 0.000 0.496 382 E N 0.592 120.758 120.200 -0.057 0.000 2.153 382 E HA -0.115 4.234 4.350 -0.001 0.000 0.194 382 E C 1.310 177.860 176.600 -0.085 0.000 0.988 382 E CA 1.622 57.970 56.400 -0.087 0.000 0.811 382 E CB -0.888 28.797 29.700 -0.025 0.000 0.746 382 E HN 0.820 nan 8.360 nan 0.000 0.466 383 D N -0.869 119.516 120.400 -0.026 0.000 2.339 383 D HA 0.037 4.676 4.640 -0.001 0.000 0.217 383 D C 1.593 177.901 176.300 0.013 0.000 1.050 383 D CA 1.111 55.121 54.000 0.017 0.000 0.856 383 D CB 0.759 41.578 40.800 0.031 0.000 0.922 383 D HN 0.506 nan 8.370 nan 0.000 0.518 384 S N -0.472 115.210 115.700 -0.029 0.000 2.604 384 S HA -0.009 4.460 4.470 -0.001 0.000 0.235 384 S C 1.677 176.249 174.600 -0.046 0.000 1.043 384 S CA -0.345 57.848 58.200 -0.012 0.000 0.997 384 S CB 0.255 63.455 63.200 -0.001 0.000 0.956 384 S HN 0.165 nan 8.310 nan 0.000 0.535 385 K N 1.097 121.396 120.400 -0.167 0.000 2.057 385 K HA -0.035 4.284 4.320 -0.001 0.000 0.207 385 K C 1.456 177.952 176.600 -0.173 0.000 1.049 385 K CA 1.432 57.581 56.287 -0.229 0.000 0.931 385 K CB -0.829 31.440 32.500 -0.385 0.000 0.714 385 K HN 0.437 nan 8.250 nan 0.000 0.440 386 F N 1.704 121.673 119.950 0.031 0.000 2.234 386 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 386 F C 2.729 178.548 175.800 0.032 0.000 1.087 386 F CA 0.544 58.561 58.000 0.028 0.000 1.340 386 F CB -0.160 38.852 39.000 0.019 0.000 1.031 386 F HN 0.176 nan 8.300 nan 0.000 0.500 387 A N 0.461 123.392 122.820 0.185 0.000 1.968 387 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 387 A C 2.103 179.744 177.584 0.096 0.000 1.169 387 A CA 1.062 53.172 52.037 0.122 0.000 0.638 387 A CB -0.897 18.156 19.000 0.089 0.000 0.812 387 A HN 0.389 nan 8.150 nan 0.000 0.446 388 I N -0.039 120.580 120.570 0.082 0.000 2.226 388 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 388 I C 2.088 178.269 176.117 0.107 0.000 1.100 388 I CA 0.837 62.185 61.300 0.081 0.000 1.374 388 I CB -0.223 37.818 38.000 0.068 0.000 1.057 388 I HN 0.223 nan 8.210 nan 0.000 0.413 389 I N 0.717 121.361 120.570 0.124 0.000 2.252 389 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 389 I C 2.459 178.652 176.117 0.128 0.000 1.102 389 I CA 1.626 63.010 61.300 0.140 0.000 1.385 389 I CB -1.228 36.869 38.000 0.161 0.000 1.064 389 I HN 0.313 nan 8.210 nan 0.000 0.414 390 E N 0.832 121.104 120.200 0.120 0.000 2.077 390 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 390 E C 2.340 178.991 176.600 0.085 0.000 0.989 390 E CA 1.440 57.897 56.400 0.094 0.000 0.800 390 E CB -0.121 29.631 29.700 0.086 0.000 0.746 390 E HN 0.483 nan 8.360 nan 0.000 0.452 391 A N 0.959 123.828 122.820 0.083 0.000 1.902 391 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 391 A C 2.170 179.801 177.584 0.078 0.000 1.181 391 A CA 1.020 53.098 52.037 0.067 0.000 0.623 391 A CB -0.627 18.407 19.000 0.056 0.000 0.818 391 A HN 0.138 nan 8.150 nan 0.000 0.443 392 L N -0.854 120.438 121.223 0.115 0.000 2.012 392 L HA -0.286 4.053 4.340 -0.001 0.000 0.210 392 L C 2.897 179.891 176.870 0.206 0.000 1.073 392 L CA 1.810 56.753 54.840 0.172 0.000 0.748 392 L CB -0.577 41.640 42.059 0.264 0.000 0.891 392 L HN 0.483 nan 8.230 nan 0.000 0.431 393 Q N -0.731 119.169 119.800 0.167 0.000 2.167 393 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 393 Q C 2.356 178.423 176.000 0.113 0.000 0.970 393 Q CA 1.167 57.057 55.803 0.145 0.000 0.855 393 Q CB -0.000 28.795 28.738 0.095 0.000 0.911 393 Q HN 0.442 nan 8.270 nan 0.000 0.438 394 R N 0.046 120.597 120.500 0.084 0.000 2.062 394 R HA -0.063 4.276 4.340 -0.001 0.000 0.226 394 R C 1.067 177.394 176.300 0.045 0.000 1.125 394 R CA 1.293 57.428 56.100 0.057 0.000 0.966 394 R CB 0.214 30.540 30.300 0.043 0.000 0.861 394 R HN 0.245 nan 8.270 nan 0.000 0.433 395 D N -0.213 120.206 120.400 0.033 0.000 2.422 395 D HA 0.122 4.761 4.640 -0.001 0.000 0.218 395 D C 0.269 176.526 176.300 -0.071 0.000 1.047 395 D CA 0.174 54.167 54.000 -0.012 0.000 0.885 395 D CB 0.137 40.925 40.800 -0.021 0.000 1.035 395 D HN 0.091 nan 8.370 nan 0.000 0.502 396 A N 0.812 123.577 122.820 -0.092 0.000 2.425 396 A HA 0.285 4.604 4.320 -0.001 0.000 0.242 396 A C 0.182 177.476 177.584 -0.484 0.000 1.077 396 A CA 0.049 51.861 52.037 -0.376 0.000 0.781 396 A CB 0.444 19.131 19.000 -0.522 0.000 1.020 396 A HN -0.028 nan 8.150 nan 0.000 0.494 397 Q N 0.162 119.547 119.800 -0.691 0.000 2.340 397 Q HA 0.352 4.691 4.340 -0.001 0.000 0.268 397 Q C -1.060 174.548 176.000 -0.653 0.000 1.031 397 Q CA -0.110 55.410 55.803 -0.471 0.000 0.804 397 Q CB 1.647 30.250 28.738 -0.225 0.000 1.286 397 Q HN 0.907 nan 8.270 nan 0.000 0.448 398 W N 1.328 122.642 121.300 0.024 0.000 2.870 398 W HA 0.328 4.987 4.660 -0.002 0.000 0.358 398 W C 0.989 177.627 176.519 0.198 0.000 1.043 398 W CA 0.231 57.623 57.345 0.078 0.000 1.692 398 W CB 0.985 30.473 29.460 0.046 0.000 1.100 398 W HN 1.013 nan 8.180 nan 0.000 0.557 399 G N 1.722 110.688 108.800 0.276 0.000 2.698 399 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.233 399 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.233 399 G C -0.487 174.591 174.900 0.297 0.000 1.352 399 G CA -0.353 44.897 45.100 0.250 0.000 0.879 399 G HN 0.122 nan 8.290 nan 0.000 0.567 400 E N 0.635 120.995 120.200 0.266 0.000 2.299 400 E HA 0.548 4.897 4.350 -0.001 0.000 0.272 400 E C 0.653 177.425 176.600 0.287 0.000 1.043 400 E CA 1.304 57.840 56.400 0.227 0.000 0.895 400 E CB 0.224 30.028 29.700 0.173 0.000 1.011 400 E HN 1.953 nan 8.360 nan 0.000 0.432 401 G N 3.432 112.308 108.800 0.127 0.000 2.338 401 G HA2 0.137 4.096 3.960 -0.001 0.000 0.295 401 G HA3 0.137 4.096 3.960 -0.001 0.000 0.295 401 G C -1.486 173.370 174.900 -0.074 0.000 1.461 401 G CA -1.104 43.965 45.100 -0.051 0.000 0.817 401 G HN 0.454 nan 8.290 nan 0.000 0.556 402 N N 0.615 119.241 118.700 -0.124 0.000 2.437 402 N HA 0.363 5.102 4.740 -0.001 0.000 0.243 402 N C -0.205 175.224 175.510 -0.134 0.000 1.041 402 N CA -0.078 52.920 53.050 -0.087 0.000 0.940 402 N CB 1.387 39.839 38.487 -0.059 0.000 1.133 402 N HN 0.410 nan 8.380 nan 0.000 0.506 403 I N 1.390 121.895 120.570 -0.108 0.000 2.342 403 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 403 I C 0.291 176.344 176.117 -0.107 0.000 1.010 403 I CA -0.129 61.082 61.300 -0.148 0.000 1.308 403 I CB 1.023 38.959 38.000 -0.108 0.000 1.400 403 I HN 0.159 nan 8.210 nan 0.000 0.488 404 T N 3.083 117.560 114.554 -0.129 0.000 2.809 404 T HA 0.274 4.624 4.350 -0.001 0.000 0.284 404 T C 0.594 175.231 174.700 -0.106 0.000 0.992 404 T CA -0.577 61.465 62.100 -0.096 0.000 0.957 404 T CB 1.214 70.025 68.868 -0.095 0.000 0.942 404 T HN 0.746 nan 8.240 nan 0.000 0.439 405 T N 0.172 114.679 114.554 -0.077 0.000 3.215 405 T HA 0.134 4.483 4.350 -0.001 0.000 0.271 405 T C 1.735 176.382 174.700 -0.089 0.000 1.012 405 T CA -0.416 61.642 62.100 -0.069 0.000 0.899 405 T CB -0.583 68.267 68.868 -0.029 0.000 1.089 405 T HN 0.422 nan 8.240 nan 0.000 0.552 406 L N -1.331 119.814 121.223 -0.130 0.000 2.201 406 L HA 0.398 4.737 4.340 -0.001 0.000 0.212 406 L C 0.221 176.913 176.870 -0.297 0.000 1.105 406 L CA 1.208 55.913 54.840 -0.225 0.000 0.775 406 L CB -0.438 41.446 42.059 -0.291 0.000 0.913 406 L HN 0.138 nan 8.230 nan 0.000 0.440 407 D N -0.256 120.013 120.400 -0.218 0.000 2.319 407 D HA 0.465 5.104 4.640 -0.001 0.000 0.237 407 D C 0.425 176.683 176.300 -0.070 0.000 1.353 407 D CA 0.661 54.564 54.000 -0.162 0.000 0.992 407 D CB 0.813 41.484 40.800 -0.214 0.000 1.368 407 D HN 0.467 nan 8.370 nan 0.000 0.564 408 G N 1.459 110.247 108.800 -0.020 0.000 2.512 408 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.254 408 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.254 408 G C -0.891 174.003 174.900 -0.010 0.000 1.199 408 G CA 0.040 45.153 45.100 0.022 0.000 0.941 408 G HN 0.952 nan 8.290 nan 0.000 0.569 409 V N 0.918 120.820 119.914 -0.020 0.000 2.525 409 V HA 0.707 4.826 4.120 -0.001 0.000 0.299 409 V C 0.308 176.321 176.094 -0.135 0.000 1.034 409 V CA -0.189 62.025 62.300 -0.144 0.000 0.863 409 V CB 1.535 33.191 31.823 -0.279 0.000 0.999 409 V HN 0.948 nan 8.190 nan 0.000 0.423 410 R N 3.512 123.927 120.500 -0.140 0.000 2.514 410 R HA 0.843 5.182 4.340 -0.001 0.000 0.301 410 R C -1.764 174.451 176.300 -0.143 0.000 0.962 410 R CA -0.413 55.657 56.100 -0.050 0.000 0.882 410 R CB 2.036 32.319 30.300 -0.029 0.000 1.143 410 R HN 0.522 nan 8.270 nan 0.000 0.452 411 V N 3.470 123.355 119.914 -0.049 0.000 2.483 411 V HA 0.279 4.398 4.120 -0.001 0.000 0.297 411 V C -1.105 174.878 176.094 -0.185 0.000 1.027 411 V CA -0.855 61.302 62.300 -0.239 0.000 0.855 411 V CB 1.877 33.473 31.823 -0.380 0.000 0.995 411 V HN 0.843 nan 8.190 nan 0.000 0.424 412 D N 3.715 123.982 120.400 -0.223 0.000 2.329 412 D HA 0.545 5.185 4.640 -0.001 0.000 0.232 412 D C -0.849 175.360 176.300 -0.152 0.000 1.088 412 D CA -0.068 53.895 54.000 -0.061 0.000 0.835 412 D CB 1.007 41.784 40.800 -0.038 0.000 1.078 412 D HN 0.460 nan 8.370 nan 0.000 0.495 413 Y N 1.892 122.305 120.300 0.189 0.000 2.458 413 Y HA 0.281 4.830 4.550 -0.001 0.000 0.322 413 Y C -1.136 174.838 175.900 0.123 0.000 1.259 413 Y CA -2.088 56.103 58.100 0.151 0.000 1.302 413 Y CB 0.424 38.983 38.460 0.165 0.000 1.314 413 Y HN 0.345 nan 8.280 nan 0.000 0.509 414 P HA -0.171 nan 4.420 nan 0.000 0.216 414 P C 0.125 177.518 177.300 0.156 0.000 1.150 414 P CA 2.051 65.251 63.100 0.166 0.000 0.843 414 P CB 0.188 31.970 31.700 0.137 0.000 0.787 415 K N -1.826 118.680 120.400 0.176 0.000 2.438 415 K HA 0.452 4.772 4.320 -0.001 0.000 0.205 415 K C 0.662 177.357 176.600 0.159 0.000 1.033 415 K CA -0.071 56.297 56.287 0.134 0.000 1.089 415 K CB 1.243 33.795 32.500 0.087 0.000 0.857 415 K HN 0.135 nan 8.250 nan 0.000 0.522 416 G N 1.044 109.993 108.800 0.250 0.000 2.340 416 G HA2 0.336 4.295 3.960 -0.001 0.000 0.299 416 G HA3 0.336 4.295 3.960 -0.001 0.000 0.299 416 G C -2.284 172.897 174.900 0.468 0.000 1.291 416 G CA -0.913 44.354 45.100 0.278 0.000 0.841 416 G HN 0.130 nan 8.290 nan 0.000 0.500 417 W N -0.670 120.744 121.300 0.189 0.000 3.066 417 W HA 0.771 5.430 4.660 -0.001 0.000 0.330 417 W C -0.581 176.000 176.519 0.103 0.000 1.253 417 W CA -1.096 56.352 57.345 0.172 0.000 1.187 417 W CB 1.219 30.696 29.460 0.030 0.000 1.434 417 W HN 1.491 nan 8.180 nan 0.000 0.572 418 G N 1.105 109.994 108.800 0.148 0.000 2.612 418 G HA2 0.717 4.676 3.960 -0.001 0.000 0.298 418 G HA3 0.717 4.676 3.960 -0.001 0.000 0.298 418 G C -2.572 172.136 174.900 -0.319 0.000 1.336 418 G CA -0.979 43.808 45.100 -0.521 0.000 0.953 418 G HN 0.780 nan 8.290 nan 0.000 0.482 419 L N 1.154 121.965 121.223 -0.686 0.000 2.455 419 L HA 0.845 5.184 4.340 -0.001 0.000 0.264 419 L C -1.447 175.288 176.870 -0.226 0.000 0.968 419 L CA -0.943 53.789 54.840 -0.180 0.000 0.827 419 L CB 2.253 44.334 42.059 0.037 0.000 1.317 419 L HN 0.673 nan 8.230 nan 0.000 0.407 420 V N 5.985 125.953 119.914 0.090 0.000 2.577 420 V HA 0.872 4.991 4.120 -0.001 0.000 0.303 420 V C -1.036 175.104 176.094 0.077 0.000 1.042 420 V CA -0.199 62.158 62.300 0.095 0.000 0.872 420 V CB 1.746 33.741 31.823 0.286 0.000 0.998 420 V HN 1.057 nan 8.190 nan 0.000 0.423 421 R N 5.207 125.736 120.500 0.049 0.000 2.764 421 R HA 0.901 5.240 4.340 -0.001 0.000 0.270 421 R C -0.932 175.407 176.300 0.065 0.000 1.014 421 R CA -0.563 55.574 56.100 0.062 0.000 0.904 421 R CB 1.919 32.245 30.300 0.044 0.000 1.236 421 R HN 0.874 nan 8.270 nan 0.000 0.466 422 A N 1.311 124.186 122.820 0.091 0.000 2.362 422 A HA 0.347 4.666 4.320 -0.001 0.000 0.276 422 A C 0.211 177.844 177.584 0.082 0.000 1.153 422 A CA -0.314 51.751 52.037 0.048 0.000 0.813 422 A CB 0.841 19.855 19.000 0.024 0.000 1.081 422 A HN 0.692 nan 8.150 nan 0.000 0.507 423 S N 1.666 117.389 115.700 0.039 0.000 2.572 423 S HA 0.053 4.522 4.470 -0.001 0.000 0.279 423 S C 0.646 175.280 174.600 0.057 0.000 1.341 423 S CA -0.048 58.196 58.200 0.074 0.000 1.043 423 S CB -0.107 63.129 63.200 0.060 0.000 0.887 423 S HN 0.686 nan 8.310 nan 0.000 0.516 424 N N 1.163 119.897 118.700 0.057 0.000 2.214 424 N HA 0.131 4.870 4.740 -0.001 0.000 0.214 424 N C 0.776 176.204 175.510 -0.136 0.000 1.132 424 N CA 0.356 53.355 53.050 -0.085 0.000 0.856 424 N CB 0.703 38.944 38.487 -0.409 0.000 1.020 424 N HN 0.772 nan 8.380 nan 0.000 0.509 425 T N -4.099 110.461 114.554 0.009 0.000 2.958 425 T HA 0.124 4.474 4.350 -0.001 0.000 0.256 425 T C 0.606 175.354 174.700 0.081 0.000 0.983 425 T CA 0.058 62.199 62.100 0.070 0.000 0.924 425 T CB 0.242 69.216 68.868 0.177 0.000 1.136 425 T HN 0.067 nan 8.240 nan 0.000 0.506 426 T N -0.330 114.259 114.554 0.058 0.000 2.843 426 T HA 0.595 4.945 4.350 -0.001 0.000 0.302 426 T C -3.330 171.371 174.700 0.003 0.000 1.232 426 T CA -1.638 60.492 62.100 0.050 0.000 1.009 426 T CB 1.914 70.824 68.868 0.071 0.000 1.254 426 T HN -0.173 nan 8.240 nan 0.000 0.504 427 P HA 0.466 nan 4.420 nan 0.000 0.220 427 P C -0.900 176.381 177.300 -0.033 0.000 1.806 427 P CA -0.301 62.775 63.100 -0.041 0.000 0.976 427 P CB -0.184 31.503 31.700 -0.021 0.000 1.952 428 V N 2.210 122.103 119.914 -0.035 0.000 2.888 428 V HA 0.313 4.433 4.120 -0.001 0.000 0.309 428 V C 0.121 176.209 176.094 -0.010 0.000 1.114 428 V CA -0.922 61.375 62.300 -0.005 0.000 0.940 428 V CB 2.871 34.707 31.823 0.021 0.000 1.021 428 V HN 0.123 nan 8.190 nan 0.000 0.426 429 L N 3.757 124.988 121.223 0.014 0.000 2.326 429 L HA 0.592 4.931 4.340 -0.001 0.000 0.278 429 L C -0.548 176.336 176.870 0.024 0.000 1.092 429 L CA -0.638 54.219 54.840 0.029 0.000 0.810 429 L CB 1.490 43.588 42.059 0.064 0.000 1.153 429 L HN 0.331 nan 8.230 nan 0.000 0.439 430 V N 4.671 124.590 119.914 0.009 0.000 2.398 430 V HA 0.458 4.577 4.120 -0.001 0.000 0.286 430 V C 0.077 176.114 176.094 -0.095 0.000 1.026 430 V CA -0.528 61.757 62.300 -0.026 0.000 0.868 430 V CB 1.780 33.602 31.823 -0.002 0.000 0.982 430 V HN 0.443 nan 8.190 nan 0.000 0.443 431 L N 4.969 126.075 121.223 -0.196 0.000 2.354 431 L HA 0.720 5.059 4.340 -0.001 0.000 0.269 431 L C -0.245 176.277 176.870 -0.580 0.000 1.005 431 L CA -0.678 53.895 54.840 -0.444 0.000 0.819 431 L CB 2.316 44.025 42.059 -0.583 0.000 1.311 431 L HN 0.594 nan 8.230 nan 0.000 0.423 432 R N 1.473 121.446 120.500 -0.879 0.000 2.673 432 R HA 0.731 5.070 4.340 -0.001 0.000 0.281 432 R C -1.814 173.573 176.300 -1.522 0.000 0.991 432 R CA -0.571 55.003 56.100 -0.876 0.000 0.896 432 R CB 2.651 32.672 30.300 -0.466 0.000 1.201 432 R HN 0.388 nan 8.270 nan 0.000 0.457 433 F N 0.568 120.063 119.950 -0.759 0.000 2.588 433 F HA 0.427 4.953 4.527 -0.001 0.000 0.310 433 F C -0.108 175.216 175.800 -0.793 0.000 1.082 433 F CA -0.678 56.816 58.000 -0.844 0.000 0.929 433 F CB 2.428 41.091 39.000 -0.562 0.000 1.254 433 F HN 0.413 nan 8.300 nan 0.000 0.455 434 E N 1.743 121.523 120.200 -0.700 0.000 2.372 434 E HA 0.832 5.181 4.350 -0.001 0.000 0.279 434 E C -2.022 174.440 176.600 -0.229 0.000 0.946 434 E CA -0.804 55.339 56.400 -0.428 0.000 0.769 434 E CB 2.404 31.856 29.700 -0.412 0.000 1.230 434 E HN 0.871 nan 8.360 nan 0.000 0.442 435 A N 2.890 125.664 122.820 -0.077 0.000 2.610 435 A HA 0.392 4.711 4.320 -0.001 0.000 0.291 435 A C -0.378 177.218 177.584 0.021 0.000 1.086 435 A CA -0.488 51.548 52.037 -0.001 0.000 0.677 435 A CB 1.437 20.425 19.000 -0.019 0.000 1.278 435 A HN 0.688 nan 8.150 nan 0.000 0.414 436 D N 0.406 120.831 120.400 0.041 0.000 2.123 436 D HA 0.004 4.643 4.640 -0.001 0.000 0.196 436 D C 1.169 177.479 176.300 0.017 0.000 0.992 436 D CA 2.652 56.674 54.000 0.036 0.000 0.833 436 D CB 0.044 40.868 40.800 0.041 0.000 0.954 436 D HN 0.837 nan 8.370 nan 0.000 0.455 437 T N -3.245 111.312 114.554 0.006 0.000 2.901 437 T HA 0.321 4.670 4.350 -0.001 0.000 0.293 437 T C 0.760 175.449 174.700 -0.018 0.000 1.084 437 T CA -0.845 61.253 62.100 -0.004 0.000 1.008 437 T CB 2.167 71.033 68.868 -0.003 0.000 1.170 437 T HN -0.283 nan 8.240 nan 0.000 0.509 438 E N 0.621 120.808 120.200 -0.021 0.000 2.153 438 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 438 E C 2.473 179.050 176.600 -0.038 0.000 0.988 438 E CA 1.795 58.176 56.400 -0.032 0.000 0.811 438 E CB -0.579 29.105 29.700 -0.026 0.000 0.746 438 E HN 0.942 nan 8.360 nan 0.000 0.466 439 E N 1.451 121.632 120.200 -0.030 0.000 2.072 439 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 439 E C 1.843 178.417 176.600 -0.043 0.000 0.985 439 E CA 1.613 57.993 56.400 -0.033 0.000 0.801 439 E CB -0.533 29.153 29.700 -0.023 0.000 0.750 439 E HN 0.249 nan 8.360 nan 0.000 0.452 440 E N -0.306 119.871 120.200 -0.037 0.000 2.107 440 E HA -0.039 4.310 4.350 -0.001 0.000 0.191 440 E C 1.949 178.508 176.600 -0.068 0.000 0.982 440 E CA 0.886 57.258 56.400 -0.045 0.000 0.809 440 E CB -0.329 29.360 29.700 -0.017 0.000 0.756 440 E HN 0.389 nan 8.360 nan 0.000 0.459 441 L N 0.987 122.169 121.223 -0.070 0.000 2.043 441 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 441 L C 2.189 178.968 176.870 -0.151 0.000 1.075 441 L CA 2.179 56.955 54.840 -0.107 0.000 0.752 441 L CB -0.549 41.454 42.059 -0.093 0.000 0.891 441 L HN 0.183 nan 8.230 nan 0.000 0.432 442 E N -0.628 119.505 120.200 -0.112 0.000 2.158 442 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 442 E C 2.391 178.931 176.600 -0.100 0.000 0.982 442 E CA 0.991 57.325 56.400 -0.110 0.000 0.823 442 E CB -0.190 29.465 29.700 -0.075 0.000 0.766 442 E HN 0.409 nan 8.360 nan 0.000 0.468 443 R N 0.083 120.530 120.500 -0.089 0.000 2.073 443 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 443 R C 2.256 178.508 176.300 -0.080 0.000 1.134 443 R CA 1.616 57.667 56.100 -0.082 0.000 0.952 443 R CB -0.340 29.905 30.300 -0.091 0.000 0.850 443 R HN 0.255 nan 8.270 nan 0.000 0.433 444 I N 0.916 121.423 120.570 -0.105 0.000 2.202 444 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 444 I C 2.355 178.474 176.117 0.004 0.000 1.091 444 I CA 1.428 62.719 61.300 -0.015 0.000 1.368 444 I CB -0.239 37.770 38.000 0.016 0.000 1.058 444 I HN 0.161 nan 8.210 nan 0.000 0.410 445 K N 0.256 120.458 120.400 -0.330 0.000 2.074 445 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 445 K C 2.111 178.739 176.600 0.048 0.000 1.048 445 K CA 2.057 58.079 56.287 -0.441 0.000 0.926 445 K CB -0.339 31.919 32.500 -0.404 0.000 0.713 445 K HN 0.313 nan 8.250 nan 0.000 0.444 446 T N 0.834 115.396 114.554 0.013 0.000 2.788 446 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 446 T C 1.956 176.725 174.700 0.115 0.000 1.044 446 T CA 1.103 63.225 62.100 0.036 0.000 1.139 446 T CB -0.130 68.730 68.868 -0.013 0.000 0.867 446 T HN -0.044 nan 8.240 nan 0.000 0.454 447 V N 0.745 120.770 119.914 0.185 0.000 2.295 447 V HA -0.137 3.982 4.120 -0.001 0.000 0.246 447 V C 2.112 178.388 176.094 0.303 0.000 1.049 447 V CA 1.684 64.119 62.300 0.224 0.000 1.024 447 V CB -0.717 31.302 31.823 0.326 0.000 0.648 447 V HN 0.385 nan 8.190 nan 0.000 0.447 448 F N 0.243 120.420 119.950 0.378 0.000 2.186 448 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 448 F C 2.579 178.628 175.800 0.415 0.000 1.090 448 F CA 1.349 59.678 58.000 0.547 0.000 1.307 448 F CB -0.519 38.914 39.000 0.721 0.000 1.019 448 F HN -0.025 nan 8.300 nan 0.000 0.489 449 R N 0.089 120.874 120.500 0.475 0.000 2.083 449 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 449 R C 1.888 178.236 176.300 0.081 0.000 1.137 449 R CA 1.585 57.785 56.100 0.167 0.000 0.951 449 R CB -0.573 29.669 30.300 -0.097 0.000 0.851 449 R HN 0.264 nan 8.270 nan 0.000 0.434 450 N N 0.347 119.076 118.700 0.048 0.000 2.188 450 N HA -0.124 4.615 4.740 -0.001 0.000 0.184 450 N C 1.758 177.228 175.510 -0.066 0.000 1.018 450 N CA 0.990 54.026 53.050 -0.023 0.000 0.858 450 N CB -0.121 38.339 38.487 -0.044 0.000 0.989 450 N HN 0.185 nan 8.380 nan 0.000 0.426 451 Q N 0.506 120.241 119.800 -0.109 0.000 2.123 451 Q HA 0.093 4.433 4.340 -0.001 0.000 0.199 451 Q C 2.306 178.266 176.000 -0.068 0.000 0.966 451 Q CA 0.457 56.115 55.803 -0.242 0.000 0.845 451 Q CB -0.324 28.009 28.738 -0.674 0.000 0.907 451 Q HN 0.417 nan 8.270 nan 0.000 0.439 452 L N 0.552 121.818 121.223 0.072 0.000 2.046 452 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 452 L C 2.268 179.171 176.870 0.055 0.000 1.077 452 L CA 1.066 55.978 54.840 0.119 0.000 0.747 452 L CB -0.328 41.862 42.059 0.219 0.000 0.896 452 L HN 0.100 nan 8.230 nan 0.000 0.432 453 K N 0.063 120.479 120.400 0.027 0.000 2.211 453 K HA -0.050 4.269 4.320 -0.001 0.000 0.203 453 K C 2.059 178.650 176.600 -0.015 0.000 1.050 453 K CA 1.258 57.545 56.287 0.001 0.000 0.945 453 K CB -0.237 32.253 32.500 -0.017 0.000 0.732 453 K HN 0.264 nan 8.250 nan 0.000 0.451 454 A N 0.793 123.592 122.820 -0.035 0.000 2.014 454 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 454 A C 2.377 179.942 177.584 -0.031 0.000 1.163 454 A CA 0.899 52.908 52.037 -0.048 0.000 0.652 454 A CB -0.238 18.710 19.000 -0.087 0.000 0.808 454 A HN 0.037 nan 8.150 nan 0.000 0.449 455 V N -0.094 119.811 119.914 -0.015 0.000 2.302 455 V HA -0.015 4.104 4.120 -0.001 0.000 0.243 455 V C 0.532 176.633 176.094 0.012 0.000 1.036 455 V CA 1.857 64.160 62.300 0.005 0.000 1.020 455 V CB -0.245 31.595 31.823 0.029 0.000 0.657 455 V HN 0.653 nan 8.190 nan 0.000 0.453 456 D N -1.479 118.931 120.400 0.017 0.000 2.365 456 D HA 0.143 4.783 4.640 -0.001 0.000 0.235 456 D C 0.846 177.155 176.300 0.014 0.000 1.368 456 D CA 0.446 54.456 54.000 0.017 0.000 1.001 456 D CB 1.493 42.309 40.800 0.027 0.000 1.364 456 D HN 0.145 nan 8.370 nan 0.000 0.577 457 S N 1.601 117.303 115.700 0.004 0.000 2.537 457 S HA -0.066 4.403 4.470 -0.001 0.000 0.240 457 S C 1.819 176.418 174.600 -0.000 0.000 0.981 457 S CA 1.205 59.403 58.200 -0.002 0.000 0.948 457 S CB -0.206 62.989 63.200 -0.009 0.000 0.759 457 S HN 0.441 nan 8.310 nan 0.000 0.531 458 S N 0.665 116.369 115.700 0.006 0.000 2.528 458 S HA 0.435 4.904 4.470 -0.001 0.000 0.219 458 S C 0.624 175.233 174.600 0.015 0.000 0.985 458 S CA -0.169 58.035 58.200 0.007 0.000 0.914 458 S CB -0.284 62.921 63.200 0.009 0.000 0.776 458 S HN 0.318 nan 8.310 nan 0.000 0.526 459 L N 2.494 123.732 121.223 0.024 0.000 2.525 459 L HA 0.251 4.590 4.340 -0.001 0.000 0.278 459 L C -2.344 174.547 176.870 0.035 0.000 1.218 459 L CA -2.054 52.810 54.840 0.041 0.000 0.878 459 L CB 0.321 42.419 42.059 0.065 0.000 1.127 459 L HN 0.026 nan 8.230 nan 0.000 0.492 460 P HA 0.108 nan 4.420 nan 0.000 0.268 460 P C -0.847 176.483 177.300 0.050 0.000 1.205 460 P CA -0.081 63.041 63.100 0.037 0.000 0.771 460 P CB 0.505 32.237 31.700 0.055 0.000 0.858 461 V N 0.355 120.250 119.914 -0.032 0.000 2.383 461 V HA 0.345 4.464 4.120 -0.001 0.000 0.261 461 V C -2.285 173.662 176.094 -0.243 0.000 0.987 461 V CA -1.753 60.437 62.300 -0.184 0.000 0.853 461 V CB 1.093 32.688 31.823 -0.379 0.000 1.095 461 V HN 0.401 nan 8.190 nan 0.000 0.461 462 P HA 0.339 nan 4.420 nan 0.000 0.226 462 P C -0.536 176.886 177.300 0.204 0.000 1.758 462 P CA 0.249 63.403 63.100 0.090 0.000 0.896 462 P CB -0.755 31.028 31.700 0.138 0.000 1.784 463 F N 0.000 119.962 119.950 0.020 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.997 58.000 -0.006 0.000 1.383 463 F CB 0.000 39.023 39.000 0.039 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574